# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

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

data_sc3n@c70_1_100k
_database_code_depnum_ccdc_archive 'CCDC 2362043'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Nanjing Normal University
China
;
_audit_update_record             
;
2024-07-30 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C2v(7854)-C70/NiOEP/0.5(C6H6)/C7H8;
_chemical_formula_sum            'C116 H55 N5 Ni Sc3'
_chemical_formula_weight         1712.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0048 0.0021 '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 0.0087 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3285 1.3900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3094 0.4822 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.210(3)
_cell_length_b                   16.420(3)
_cell_length_c                   25.760(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.31(3)
_cell_angle_gamma                90
_cell_volume                     6987(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    122712
_cell_measurement_theta_min      1.676
_cell_measurement_theta_max      36.674

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_F_000             3508
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.846
_shelx_estimated_absorpt_T_min   0.920
_shelx_estimated_absorpt_T_max   0.951
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.7999
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            122708
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.676
_diffrn_reflns_theta_max         36.674
_diffrn_reflns_theta_full        28.681
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.896
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.896
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             21854
_reflns_number_gt                17900
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1208P)²+9.4976P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21854
_refine_ls_number_parameters     2176
_refine_ls_number_restraints     3591
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0670
_refine_ls_wR_factor_ref         0.2010
_refine_ls_wR_factor_gt          0.1892
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.213
_refine_ls_shift/su_max          0.089
_refine_ls_shift/su_mean         0.003

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 0.44973(3) 0.46197(3) 0.84995(3) 0.01658(12) Uani 0.7649(17) 1 d . . P
A 1
Sc2A Sc 0.35849(3) 0.44002(3) 0.72466(2) 0.01607(12) Uani 0.7649(17) 1 d . . P
A 1
Sc3A Sc 0.22392(3) 0.51823(4) 0.77254(3) 0.01798(13) Uani 0.7649(17) 1 d . . P
A 1
N1A N 0.3413(2) 0.47933(19) 0.79318(15) 0.0076(5) Uani 0.7649(17) 1 d . U P A 1
C1A C 0.58176(7) 0.47910(6) 0.90704(4) 0.0302(7) Uani 0.7649(17) 1 d D U P A 1
C2A C 0.59108(7) 0.47907(6) 0.85348(4) 0.0340(9) Uani 0.7649(17) 1 d D U P A 1
C3A C 0.57093(7) 0.39973(6) 0.83028(3) 0.0305(7) Uani 0.7649(17) 1 d D U P A 1
C4A C 0.54844(7) 0.35127(6) 0.86998(4) 0.0308(7) Uani 0.7649(17) 1 d D U P A 1
C5A C 0.55546(6) 0.39989(6) 0.91732(4) 0.0288(7) Uani 0.7649(17) 1 d D U P A 1
C6A C 0.48694(6) 0.40907(6) 0.93800(4) 0.0253(6) Uani 0.7649(17) 1 d D U P A 1
C7A C 0.47428(6) 0.49469(6) 0.94374(4) 0.0237(6) Uani 0.7649(17) 1 d D U P A 1
C8A C 0.53010(6) 0.53794(6) 0.92161(4) 0.0264(6) Uani 0.7649(17) 1 d D U P A 1
C9A C 0.50231(6) 0.60771(6) 0.88675(4) 0.0269(6) Uani 0.7649(17) 1 d D U P A 1
C10A C 0.42649(6) 0.64453(9) 0.88784(5) 0.0265(6) Uani 0.7649(17) 1 d D U P A 1
C11A C 0.37452(6) 0.60647(8) 0.91440(6) 0.0278(7) Uani 0.7649(17) 1 d D U P A 1
C12A C 0.39369(6) 0.52595(7) 0.93779(7) 0.0265(6) Uani 0.7649(17) 1 d D U P A 1
C13A C 0.32837(7) 0.46779(7) 0.93241(7) 0.0283(6) Uani 0.7649(17) 1 d D U P A 1
C14A C 0.24762(7) 0.48888(7) 0.90442(6) 0.0347(10) Uani 0.7649(17) 1 d D U P A
1
C15A C 0.22866(7) 0.56929(7) 0.88049(4) 0.0350(9) Uani 0.7649(17) 1 d D U P A 1
C16A C 0.29392(7) 0.62747(8) 0.88623(6) 0.0325(8) Uani 0.7649(17) 1 d D U P A 1
C17A C 0.29665(7) 0.67830(9) 0.84227(5) 0.0327(8) Uani 0.7649(17) 1 d D U P A 1
C18A C 0.23246(7) 0.67695(7) 0.79202(4) 0.0336(8) Uani 0.7649(17) 1 d D U P A 1
C19A C 0.15806(8) 0.63457(7) 0.79142(4) 0.0337(8) Uani 0.7649(17) 1 d D U P A 1
C20A C 0.15763(8) 0.57718(7) 0.83352(4) 0.0360(9) Uani 0.7649(17) 1 d D U P A 1
C21A C 0.11485(8) 0.50566(7) 0.80838(4) 0.0363(8) Uani 0.7649(17) 1 d D U P A 1
C22A C 0.08211(7) 0.52239(6) 0.75189(4) 0.0373(8) Uani 0.7649(17) 1 d D U P A 1
C23A C 0.10851(7) 0.60156(7) 0.74147(4) 0.0361(8) Uani 0.7649(17) 1 d D U P A 1
C24A C 0.14011(7) 0.59559(7) 0.69560(4) 0.0304(7) Uani 0.7649(17) 1 d D U P A 1
C25A C 0.13380(7) 0.51278(6) 0.67758(3) 0.0290(7) Uani 0.7649(17) 1 d D U P A 1
C26A C 0.09760(7) 0.46755(6) 0.71224(4) 0.0312(7) Uani 0.7649(17) 1 d D U P A 1
C27A C 0.12638(8) 0.38790(8) 0.72867(4) 0.0330(8) Uani 0.7649(17) 1 d D U P A 1
C28A C 0.17792(7) 0.34730(7) 0.70332(5) 0.0322(7) Uani 0.7649(17) 1 d D U P A 1
C29A C 0.21110(5) 0.38939(6) 0.66493(5) 0.0259(6) Uani 0.7649(17) 1 d D U P A 1
C30A C 0.19443(5) 0.47664(6) 0.65595(5) 0.0258(6) Uani 0.7649(17) 1 d D U P A 1
C31A C 0.25839(5) 0.53036(5) 0.64670(5) 0.0283(6) Uani 0.7649(17) 1 d D U P A 1
C32A C 0.33083(6) 0.49423(6) 0.63768(5) 0.0330(8) Uani 0.7649(17) 1 d D U P A 1
C33A C 0.33860(6) 0.40664(6) 0.63632(5) 0.0326(7) Uani 0.7649(17) 1 d D U P A 1
C34A C 0.28485(6) 0.35488(6) 0.65553(5) 0.0294(7) Uani 0.7649(17) 1 d D U P A 1
C35A C 0.33424(5) 0.30034(7) 0.69485(5) 0.0331(8) Uani 0.7649(17) 1 d D U P A 1
C36A C 0.41759(6) 0.32071(6) 0.70223(5) 0.0340(8) Uani 0.7649(17) 1 d D U P A 1
C37A C 0.42017(6) 0.38560(6) 0.66476(5) 0.0374(8) Uani 0.7649(17) 1 d D U P A 1
C38A C 0.46356(6) 0.45985(6) 0.68422(5) 0.0369(8) Uani 0.7649(17) 1 d D U P A 1
C39A C 0.52012(6) 0.46276(6) 0.73853(4) 0.0334(8) Uani 0.7649(17) 1 d D U P A 1
C40A C 0.53012(9) 0.39014(7) 0.77357(4) 0.0326(7) Uani 0.7649(17) 1 d D U P A 1
C41A C 0.47360(6) 0.32175(7) 0.75689(4) 0.0315(7) Uani 0.7649(17) 1 d D U P A 1
C42A C 0.44896(7) 0.27741(9) 0.79813(4) 0.0300(7) Uani 0.7649(17) 1 d D U P A 1
C43A C 0.48252(6) 0.29587(6) 0.85331(4) 0.0301(7) Uani 0.7649(17) 1 d D U P A 1
C44A C 0.42045(6) 0.29417(6) 0.87923(4) 0.0302(7) Uani 0.7649(17) 1 d D U P A 1
C45A C 0.34877(7) 0.26833(10) 0.84067(4) 0.0332(8) Uani 0.7649(17) 1 d D U P A
1
C46A C 0.36686(6) 0.25590(10) 0.79081(4) 0.0325(8) Uani 0.7649(17) 1 d D U P A
1
C47A C 0.30712(5) 0.27242(6) 0.74017(4) 0.0325(8) Uani 0.7649(17) 1 d D U P A 1
C48A C 0.22531(7) 0.29205(9) 0.74134(4) 0.0347(9) Uani 0.7649(17) 1 d D U P A 1
C49A C 0.20796(8) 0.30510(10) 0.79127(4) 0.0366(9) Uani 0.7649(17) 1 d D U P A
1
C50A C 0.27101(7) 0.30005(10) 0.84160(5) 0.0336(8) Uani 0.7649(17) 1 d D U P A
1
C51A C 0.26827(8) 0.35628(9) 0.88506(5) 0.0300(7) Uani 0.7649(17) 1 d D U P A 1
C52A C 0.21025(8) 0.41855(8) 0.87631(6) 0.0365(9) Uani 0.7649(17) 1 d D U P A 1
C53A C 0.14761(7) 0.42522(6) 0.82506(4) 0.0353(8) Uani 0.7649(17) 1 d D U P A 1
C54A C 0.14780(9) 0.36540(9) 0.78352(4) 0.0353(8) Uani 0.7649(17) 1 d D U P A 1
C55A C 0.34006(7) 0.38510(8) 0.92142(6) 0.0285(7) Uani 0.7649(17) 1 d D U P A 1
C56A C 0.41874(6) 0.35524(6) 0.91961(4) 0.0282(6) Uani 0.7649(17) 1 d D U P A 1
C57A C 0.56695(7) 0.54936(6) 0.82038(4) 0.0331(8) Uani 0.7649(17) 1 d D U P A 1
C58A C 0.52714(7) 0.61449(8) 0.83753(4) 0.0287(7) Uani 0.7649(17) 1 d D U P A 1
C59A C 0.47652(7) 0.65154(9) 0.79087(4) 0.0303(7) Uani 0.7649(17) 1 d D U P A 1
C60A C 0.48417(8) 0.60812(8) 0.74521(5) 0.0331(7) Uani 0.7649(17) 1 d D U P A 1
C61A C 0.53643(9) 0.54168(7) 0.76374(4) 0.0337(8) Uani 0.7649(17) 1 d D U P A 1
C62A C 0.40909(6) 0.52652(6) 0.66539(5) 0.0332(7) Uani 0.7649(17) 1 d D U P A 1
C63A C 0.41559(7) 0.59971(8) 0.69755(5) 0.0307(7) Uani 0.7649(17) 1 d D U P A 1
C64A C 0.34329(6) 0.64501(8) 0.69552(5) 0.0316(7) Uani 0.7649(17) 1 d D U P A 1
C65A C 0.26609(6) 0.61193(8) 0.66877(5) 0.0309(7) Uani 0.7649(17) 1 d D U P A 1
C66A C 0.21055(6) 0.64194(7) 0.69534(4) 0.0305(7) Uani 0.7649(17) 1 d D U P A 1
C67A C 0.25381(6) 0.68590(7) 0.74182(4) 0.0308(7) Uani 0.7649(17) 1 d D U P A 1
C68A C 0.33597(6) 0.68888(9) 0.74152(4) 0.0299(7) Uani 0.7649(17) 1 d D U P A 1
C69A C 0.39992(7) 0.68658(10) 0.79157(4) 0.0304(7) Uani 0.7649(17) 1 d D U P A
1
C70A C 0.37806(6) 0.68575(9) 0.84217(4) 0.0291(7) Uani 0.7649(17) 1 d D U P A 1
Sc1B Sc 0.4499(2) 0.5121(6) 0.8453(2) 0.119(3) Uani 0.2351(17) 1 d . . P A 2
Sc2B Sc 0.35179(19) 0.5279(4) 0.72089(13) 0.094(2) Uani 0.2351(17) 1 d . . P A
2
Sc3B Sc 0.2192(2) 0.4758(4) 0.77842(15) 0.0731(15) Uani 0.2351(17) 1 d . . P A
2
N1B N 0.3393(12) 0.5018(9) 0.7938(8) 0.034(4) Uani 0.2351(17) 1 d . U P A 2
C1B C 0.56038(7) 0.57442(6) 0.91209(4) 0.125(7) Uani 0.2351(17) 1 d D U P A 2
C2B C 0.55222(7) 0.62206(6) 0.86423(4) 0.134(7) Uani 0.2351(17) 1 d D U P A 2
C3B C 0.57107(7) 0.57178(6) 0.82385(4) 0.120(7) Uani 0.2351(17) 1 d D U P A 2
C4B C 0.59017(7) 0.49257(6) 0.84726(4) 0.087(6) Uani 0.2351(17) 1 d D U P A 2
C5B C 0.58401(7) 0.49421(6) 0.90162(4) 0.083(6) Uani 0.2351(17) 1 d D U P A 2
C6B C 0.53186(6) 0.43754(6) 0.91764(4) 0.102(6) Uani 0.2351(17) 1 d D U P A 2
C7B C 0.47919(6) 0.48305(6) 0.94134(4) 0.113(7) Uani 0.2351(17) 1 d D U P A 2
C8B C 0.49380(6) 0.56803(6) 0.93500(4) 0.114(7) Uani 0.2351(17) 1 d D U P A 2
C9B C 0.42589(5) 0.62356(6) 0.91730(4) 0.122(7) Uani 0.2351(17) 1 d D U P A 2
C10B C 0.34806(7) 0.59590(7) 0.92133(6) 0.097(6) Uani 0.2351(17) 1 d D U P A 2
C11B C 0.33503(7) 0.51371(7) 0.93313(6) 0.080(5) Uani 0.2351(17) 1 d D U P A 2
C12B C 0.39851(6) 0.45373(7) 0.93741(7) 0.094(5) Uani 0.2351(17) 1 d D U P A 2
C13B C 0.37632(7) 0.37320(8) 0.91481(6) 0.073(5) Uani 0.2351(17) 1 d D U P A 2
C14B C 0.29446(7) 0.35378(8) 0.88861(6) 0.083(5) Uani 0.2351(17) 1 d D U P A 2
C15B C 0.23104(7) 0.41425(7) 0.88383(4) 0.089(5) Uani 0.2351(17) 1 d D U P A 2
C16B C 0.25327(7) 0.49446(7) 0.90676(6) 0.083(7) Uani 0.2351(17) 1 d D U P A 2
C17B C 0.21633(8) 0.56500(7) 0.87866(5) 0.080(5) Uani 0.2351(17) 1 d D U P A 2
C18B C 0.15261(8) 0.55873(6) 0.82838(4) 0.094(6) Uani 0.2351(17) 1 d D U P A 2
C19B C 0.11654(8) 0.47910(6) 0.81305(4) 0.077(5) Uani 0.2351(17) 1 d D U P A 2
C20B C 0.15813(8) 0.40708(7) 0.83814(4) 0.079(5) Uani 0.2351(17) 1 d D U P A 2
C21B C 0.15474(8) 0.34813(7) 0.79619(4) 0.079(5) Uani 0.2351(17) 1 d D U P A 2
C22B C 0.10430(8) 0.38062(6) 0.74656(4) 0.113(7) Uani 0.2351(17) 1 d D U P A 2
C23B C 0.08072(8) 0.46097(6) 0.75690(4) 0.099(6) Uani 0.2351(17) 1 d D U P A 2
C24B C 0.09522(7) 0.51391(6) 0.71622(4) 0.102(6) Uani 0.2351(17) 1 d D U P A 2
C25B C 0.12814(7) 0.46676(6) 0.68071(3) 0.105(6) Uani 0.2351(17) 1 d D U P A 2
C26B C 0.13343(7) 0.38425(6) 0.69932(4) 0.098(6) Uani 0.2351(17) 1 d D U P A 2
C27B C 0.20193(7) 0.33681(8) 0.69817(5) 0.105(7) Uani 0.2351(17) 1 d D U P A 2
C28B C 0.25584(6) 0.36392(8) 0.66961(5) 0.111(7) Uani 0.2351(17) 1 d D U P A 2
C29B C 0.24875(5) 0.44508(6) 0.64671(5) 0.124(7) Uani 0.2351(17) 1 d D U P A 2
C30B C 0.18787(5) 0.50030(6) 0.65717(5) 0.095(6) Uani 0.2351(17) 1 d D U P A 2
C31B C 0.20709(5) 0.58810(6) 0.66543(5) 0.093(5) Uani 0.2351(17) 1 d D U P A 2
C32B C 0.27965(6) 0.62004(6) 0.65413(5) 0.098(6) Uani 0.2351(17) 1 d D U P A 2
C33B C 0.33080(6) 0.56645(6) 0.63361(5) 0.099(6) Uani 0.2351(17) 1 d D U P A 2
C34B C 0.32138(6) 0.47932(6) 0.63553(5) 0.100(6) Uani 0.2351(17) 1 d D U P A 2
C35B C 0.39947(6) 0.44559(6) 0.66222(5) 0.101(6) Uani 0.2351(17) 1 d D U P A 2
C36B C 0.45589(6) 0.51106(6) 0.67933(5) 0.100(6) Uani 0.2351(17) 1 d D U P A 2
C37B C 0.41341(6) 0.58613(6) 0.66028(5) 0.109(6) Uani 0.2351(17) 1 d D U P A 2
C38B C 0.41422(6) 0.65175(6) 0.69774(5) 0.111(6) Uani 0.2351(17) 1 d D U P A 2
C39B C 0.47237(6) 0.65074(6) 0.75152(4) 0.119(6) Uani 0.2351(17) 1 d D U P A 2
C40B C 0.52796(9) 0.58088(7) 0.76749(4) 0.120(7) Uani 0.2351(17) 1 d D U P A 2
C41B C 0.51469(6) 0.50812(6) 0.73296(4) 0.082(5) Uani 0.2351(17) 1 d D U P A 2
C42B C 0.53042(8) 0.42908(7) 0.75854(4) 0.092(6) Uani 0.2351(17) 1 d D U P A 2
C43B C 0.56283(7) 0.42224(6) 0.81502(4) 0.082(5) Uani 0.2351(17) 1 d D U P A 2
C44B C 0.52286(6) 0.35851(6) 0.83377(4) 0.118(7) Uani 0.2351(17) 1 d D U P A 2
C45B C 0.46940(7) 0.32132(9) 0.78801(4) 0.114(7) Uani 0.2351(17) 1 d D U P A 2
C46B C 0.47558(8) 0.36364(8) 0.74131(5) 0.096(5) Uani 0.2351(17) 1 d D U P A 2
C47B C 0.40592(6) 0.37295(6) 0.69504(4) 0.106(6) Uani 0.2351(17) 1 d D U P A 2
C48B C 0.33237(6) 0.32933(9) 0.69483(5) 0.102(6) Uani 0.2351(17) 1 d D U P A 2
C49B C 0.32646(7) 0.28790(10) 0.74178(5) 0.120(7) Uani 0.2351(17) 1 d D U P A 2
C50B C 0.39266(7) 0.28894(11) 0.79061(5) 0.121(7) Uani 0.2351(17) 1 d D U P A 2
C51B C 0.37383(7) 0.29208(10) 0.84250(5) 0.113(7) Uani 0.2351(17) 1 d D U P A 2
C52B C 0.29381(7) 0.30163(10) 0.84463(5) 0.111(7) Uani 0.2351(17) 1 d D U P A 2
C53B C 0.22683(7) 0.30269(7) 0.79537(4) 0.092(6) Uani 0.2351(17) 1 d D U P A 2
C54B C 0.24609(7) 0.29386(10) 0.74423(4) 0.070(5) Uani 0.2351(17) 1 d D U P A 2
C55B C 0.42521(7) 0.33309(9) 0.88695(5) 0.095(6) Uani 0.2351(17) 1 d D U P A 2
C56B C 0.50144(6) 0.36804(6) 0.88404(4) 0.110(6) Uani 0.2351(17) 1 d D U P A 2
C57B C 0.48741(6) 0.67912(6) 0.84850(4) 0.134(7) Uani 0.2351(17) 1 d D U P A 2
C58B C 0.42752(6) 0.68317(9) 0.87600(4) 0.129(7) Uani 0.2351(17) 1 d D U P A 2
C59B C 0.35544(6) 0.70974(9) 0.83862(4) 0.121(7) Uani 0.2351(17) 1 d D U P A 2
C60B C 0.37081(6) 0.72043(10) 0.78797(4) 0.126(7) Uani 0.2351(17) 1 d D U P A 2
C61B C 0.45133(7) 0.69654(9) 0.79336(4) 0.113(6) Uani 0.2351(17) 1 d D U P A 2
C62B C 0.33177(5) 0.67452(6) 0.69200(5) 0.115(7) Uani 0.2351(17) 1 d D U P A 2
C63B C 0.30807(6) 0.70430(10) 0.73814(5) 0.124(7) Uani 0.2351(17) 1 d D U P A 2
C64B C 0.22768(7) 0.68726(9) 0.74151(4) 0.108(6) Uani 0.2351(17) 1 d D U P A 2
C65B C 0.17707(7) 0.63223(8) 0.70442(5) 0.100(6) Uani 0.2351(17) 1 d D U P A 2
C66B C 0.12589(7) 0.59419(6) 0.73139(4) 0.092(6) Uani 0.2351(17) 1 d D U P A 2
C67B C 0.15012(7) 0.61817(6) 0.78645(4) 0.110(7) Uani 0.2351(17) 1 d D U P A 2
C68B C 0.21243(7) 0.67684(9) 0.79258(4) 0.082(5) Uani 0.2351(17) 1 d D U P A 2
C69B C 0.27782(7) 0.68061(9) 0.84184(4) 0.097(6) Uani 0.2351(17) 1 d D U P A 2
C70B C 0.27580(7) 0.62606(8) 0.88594(5) 0.071(5) Uani 0.2351(17) 1 d D U P A 2
C1S C 0.9169(4) 0.0035(2) 0.4924(3) 0.0778(16) Uani 1 1 d . . . B 3
H1S H 0.859912 0.005922 0.486543 0.093 Uiso 1 1 calc R U . B 3
C2S C 0.9655(4) -0.0209(2) 0.5402(3) 0.0795(16) Uani 1 1 d . . . B 3
H2S H 0.942533 -0.035232 0.568494 0.095 Uiso 1 1 calc R U . B 3
C3S C 0.9517(5) 0.0257(3) 0.4509(3) 0.0867(18) Uani 1 1 d . . . B 3
H3S H 0.918225 0.043797 0.416895 0.104 Uiso 1 1 calc R U . B 3
C4S C 0.7047(2) 0.4727(2) 0.7152(2) 0.0544(10) Uani 1 1 d . . . C 3
C5S C 0.6776(2) 0.5474(2) 0.69256(19) 0.0534(10) Uani 1 1 d . . . C 3
H5S H 0.696725 0.596156 0.711804 0.064 Uiso 1 1 calc R U . C 3
C6S C 0.6212(2) 0.5512(2) 0.64048(19) 0.0539(10) Uani 1 1 d . . . C 3
H6S H 0.601771 0.602378 0.624931 0.065 Uiso 1 1 calc R U . C 3
C7S C 0.5949(3) 0.4806(2) 0.61280(18) 0.0530(9) Uani 1 1 d . . . C 3
H7S H 0.557648 0.483015 0.577746 0.064 Uiso 1 1 calc R U . C 3
C8S C 0.6221(3) 0.4055(2) 0.63553(17) 0.0520(9) Uani 1 1 d . . . C 3
H8S H 0.603171 0.356695 0.616364 0.062 Uiso 1 1 calc R U . C 3
C9S C 0.6774(2) 0.4024(2) 0.68668(18) 0.0531(9) Uani 1 1 d . . . C 3
H9S H 0.696611 0.351138 0.702101 0.064 Uiso 1 1 calc R U . C 3
C10S C 0.7633(3) 0.4704(4) 0.7732(3) 0.0823(15) Uani 1 1 d . . . C 3
H10A H 0.763498 0.523655 0.790405 0.123 Uiso 1 1 calc R U . C 3
H10B H 0.818021 0.457446 0.771375 0.123 Uiso 1 1 calc R U . C 3
H10C H 0.745271 0.428646 0.794419 0.123 Uiso 1 1 calc R U . C 3
Ni1P Ni 0.08637(2) 0.48038(2) 0.54978(2) 0.01084(9) Uani 0.8999(9) 1 d D . P D
4
N1P N 0.01746(7) 0.56158(6) 0.57077(5) 0.0123(3) Uani 0.8999(9) 1 d D . P D 4
N2P N 0.15049(7) 0.56750(7) 0.53022(5) 0.0147(3) Uani 0.8999(9) 1 d D . P D 4
N3P N 0.15715(7) 0.39896(7) 0.53098(6) 0.0139(3) Uani 0.8999(9) 1 d D . P D 4
N4P N 0.02585(7) 0.39345(6) 0.57312(5) 0.0129(3) Uani 0.8999(9) 1 d D . P D 4
C1P C -0.04597(8) 0.54878(7) 0.59287(6) 0.0138(4) Uani 0.8999(9) 1 d D . P D 4
C2P C -0.07937(8) 0.62427(8) 0.60557(6) 0.0161(4) Uani 0.8999(9) 1 d D . P D 4
C3P C -0.03593(8) 0.68451(7) 0.59117(6) 0.0166(4) Uani 0.8999(9) 1 d D . P D 4
C4P C 0.02349(8) 0.64537(8) 0.56923(6) 0.0141(4) Uani 0.8999(9) 1 d D . P D 4
C5P C 0.07986(8) 0.68687(9) 0.55094(6) 0.0169(4) Uani 0.8999(9) 1 d D . P D 4
H5P H 0.077198 0.744668 0.550192 0.020 Uiso 0.8999(9) 1 calc R U P D 4
C6P C 0.13997(8) 0.65011(8) 0.53362(6) 0.0167(4) Uani 0.8999(9) 1 d D . P D 4
C7P C 0.20212(9) 0.69522(8) 0.51812(7) 0.0221(5) Uani 0.8999(9) 1 d D . P D 4
C8P C 0.25138(8) 0.63884(8) 0.50494(7) 0.0229(5) Uani 0.8999(9) 1 d D . P D 4
C9P C 0.21843(8) 0.56008(7) 0.51172(7) 0.0180(4) Uani 0.8999(9) 1 d D . P D 4
C10P C 0.25121(10) 0.48709(8) 0.50192(8) 0.0193(4) Uani 0.8999(9) 1 d D . P D 4
H10P H 0.296544 0.489025 0.487772 0.023 Uiso 0.8999(9) 1 calc R U P D 4
C11P C 0.22307(8) 0.41173(7) 0.51114(7) 0.0164(4) Uani 0.8999(9) 1 d D . P D 4
C12P C 0.26004(8) 0.33558(8) 0.50295(6) 0.0197(4) Uani 0.8999(9) 1 d D . P D 4
C13P C 0.21677(8) 0.27535(7) 0.51816(7) 0.0181(4) Uani 0.8999(9) 1 d D . P D 4
C14P C 0.15340(8) 0.31556(8) 0.53542(6) 0.0153(4) Uani 0.8999(9) 1 d D . P D 4
C15P C 0.09785(8) 0.27383(9) 0.55436(7) 0.0161(4) Uani 0.8999(9) 1 d D . P D 4
H15P H 0.100371 0.216030 0.554786 0.019 Uiso 0.8999(9) 1 calc R U P D 4
C16P C 0.03879(8) 0.31043(8) 0.57276(6) 0.0145(4) Uani 0.8999(9) 1 d D . P D 4
C17P C -0.01723(9) 0.26592(7) 0.59494(7) 0.0174(4) Uani 0.8999(9) 1 d D . P D 4
C18P C -0.06522(8) 0.32296(8) 0.60869(6) 0.0171(4) Uani 0.8999(9) 1 d D . P D 4
C19P C -0.03840(8) 0.40103(7) 0.59488(7) 0.0137(4) Uani 0.8999(9) 1 d D . P D 4
C20P C -0.07283(10) 0.47358(7) 0.60351(8) 0.0158(4) Uani 0.8999(9) 1 d D . P D
4
H20P H -0.118085 0.471491 0.617735 0.019 Uiso 0.8999(9) 1 calc R U P D 4
C21P C -0.14615(9) 0.63046(13) 0.63239(7) 0.0201(4) Uani 0.8999(9) 1 d D . P D
4
H21A H -0.186952 0.587703 0.617663 0.024 Uiso 0.8999(9) 1 calc R U P D 4
H21B H -0.173107 0.684018 0.623770 0.024 Uiso 0.8999(9) 1 calc R U P D 4
C22P C -0.11511(14) 0.62094(18) 0.69392(7) 0.0248(5) Uani 0.8999(9) 1 d D . P D
4
H22A H -0.090686 0.566952 0.702692 0.037 Uiso 0.8999(9) 1 calc R U P D 4
H22B H -0.160354 0.626877 0.709743 0.037 Uiso 0.8999(9) 1 calc R U P D 4
H22C H -0.074421 0.662921 0.708675 0.037 Uiso 0.8999(9) 1 calc R U P D 4
C23P C -0.04189(13) 0.77450(9) 0.59845(8) 0.0219(4) Uani 0.8999(9) 1 d D . P D
4
H23A H -0.097216 0.788067 0.600068 0.026 Uiso 0.8999(9) 1 calc R U P D 4
H23B H -0.032721 0.802827 0.566760 0.026 Uiso 0.8999(9) 1 calc R U P D 4
C24P C 0.01962(16) 0.80523(14) 0.64997(9) 0.0294(5) Uani 0.8999(9) 1 d D . P D
4
H24A H 0.074583 0.793701 0.647986 0.044 Uiso 0.8999(9) 1 calc R U P D 4
H24B H 0.010610 0.777560 0.681492 0.044 Uiso 0.8999(9) 1 calc R U P D 4
H24C H 0.013013 0.864091 0.653397 0.044 Uiso 0.8999(9) 1 calc R U P D 4
C25P C 0.21003(15) 0.78610(9) 0.52019(9) 0.0333(6) Uani 0.8999(9) 1 d D . P D 4
H25A H 0.156379 0.810766 0.503302 0.040 Uiso 0.8999(9) 1 calc R U P D 4
H25B H 0.247027 0.803131 0.498916 0.040 Uiso 0.8999(9) 1 calc R U P D 4
C26P C 0.2428(2) 0.81842(16) 0.57875(10) 0.0446(8) Uani 0.8999(9) 1 d D . P D 4
H26A H 0.248642 0.877748 0.578021 0.067 Uiso 0.8999(9) 1 calc R U P D 4
H26B H 0.295625 0.793685 0.595820 0.067 Uiso 0.8999(9) 1 calc R U P D 4
H26C H 0.204871 0.804296 0.599467 0.067 Uiso 0.8999(9) 1 calc R U P D 4
C27P C 0.32890(10) 0.65299(16) 0.49026(9) 0.0371(7) Uani 0.8999(9) 1 d D . P D
4
H27A H 0.327891 0.708184 0.474622 0.044 Uiso 0.8999(9) 1 calc R U P D 4
H27B H 0.332920 0.613070 0.462334 0.044 Uiso 0.8999(9) 1 calc R U P D 4
C28P C 0.40343(13) 0.6450(3) 0.53923(14) 0.0609(12) Uani 0.8999(9) 1 d D . P D
4
H28A H 0.452517 0.653620 0.527781 0.091 Uiso 0.8999(9) 1 calc R U P D 4
H28B H 0.404717 0.590417 0.554828 0.091 Uiso 0.8999(9) 1 calc R U P D 4
H28C H 0.400766 0.685861 0.566404 0.091 Uiso 0.8999(9) 1 calc R U P D 4
C29P C 0.33449(9) 0.32638(15) 0.48405(8) 0.0281(5) Uani 0.8999(9) 1 d D . P D 4
H29A H 0.339873 0.374859 0.462473 0.034 Uiso 0.8999(9) 1 calc R U P D 4
H29B H 0.327919 0.278210 0.460088 0.034 Uiso 0.8999(9) 1 calc R U P D 4
C30P C 0.41124(12) 0.3167(5) 0.52990(14) 0.086(2) Uani 0.8999(9) 1 d D . P D 4
H30A H 0.456425 0.303831 0.515110 0.129 Uiso 0.8999(9) 1 calc R U P D 4
H30B H 0.404285 0.272363 0.553695 0.129 Uiso 0.8999(9) 1 calc R U P D 4
H30C H 0.422741 0.367484 0.550585 0.129 Uiso 0.8999(9) 1 calc R U P D 4
C31P C 0.23059(13) 0.18497(9) 0.51992(8) 0.0245(5) Uani 0.8999(9) 1 d D . P D 4
H31A H 0.266933 0.171526 0.497398 0.029 Uiso 0.8999(9) 1 calc R U P D 4
H31B H 0.178239 0.157270 0.503911 0.029 Uiso 0.8999(9) 1 calc R U P D 4
C32P C 0.26784(19) 0.15192(15) 0.57730(9) 0.0364(7) Uani 0.8999(9) 1 d D . P D
4
H32A H 0.277668 0.093331 0.575541 0.055 Uiso 0.8999(9) 1 calc R U P D 4
H32B H 0.230455 0.161467 0.599189 0.055 Uiso 0.8999(9) 1 calc R U P D 4
H32C H 0.319166 0.179861 0.593778 0.055 Uiso 0.8999(9) 1 calc R U P D 4
C33P C -0.01715(13) 0.17546(9) 0.60226(9) 0.0232(5) Uani 0.8999(9) 1 d D . P D
4
H33A H -0.002703 0.149026 0.571693 0.028 Uiso 0.8999(9) 1 calc R U P D 4
H33B H -0.072396 0.157471 0.601416 0.028 Uiso 0.8999(9) 1 calc R U P D 4
C34P C 0.04206(19) 0.14769(15) 0.65523(10) 0.0365(7) Uani 0.8999(9) 1 d D . P D
4
H34A H 0.097126 0.163823 0.655833 0.055 Uiso 0.8999(9) 1 calc R U P D 4
H34B H 0.039430 0.088310 0.658200 0.055 Uiso 0.8999(9) 1 calc R U P D 4
H34C H 0.027648 0.173087 0.685692 0.055 Uiso 0.8999(9) 1 calc R U P D 4
C35P C -0.13063(10) 0.31210(13) 0.63645(7) 0.0221(4) Uani 0.8999(9) 1 d D . P D
4
H35A H -0.150343 0.255185 0.631710 0.026 Uiso 0.8999(9) 1 calc R U P D 4
H35B H -0.176703 0.348288 0.619318 0.026 Uiso 0.8999(9) 1 calc R U P D 4
C36P C -0.10027(16) 0.33160(18) 0.69703(7) 0.0276(5) Uani 0.8999(9) 1 d D . P D
4
H36A H -0.080218 0.387749 0.701881 0.041 Uiso 0.8999(9) 1 calc R U P D 4
H36B H -0.056345 0.294147 0.714445 0.041 Uiso 0.8999(9) 1 calc R U P D 4
H36C H -0.144834 0.325370 0.713462 0.041 Uiso 0.8999(9) 1 calc R U P D 4
Ni1Q Ni 0.08746(5) 0.51826(3) 0.54928(5) 0.01084(9) Uani 0.1001(9) 1 d D . P D
5
N1Q N 0.02401(8) 0.60257(7) 0.57256(7) 0.0239(11) Uani 0.1001(9) 1 d D U P D 5
N2Q N 0.15575(8) 0.60222(7) 0.53061(8) 0.0251(11) Uani 0.1001(9) 1 d D U P D 5
N3Q N 0.15311(8) 0.43358(7) 0.52847(7) 0.0255(11) Uani 0.1001(9) 1 d D U P D 5
N4Q N 0.02252(8) 0.43424(7) 0.57139(8) 0.0244(11) Uani 0.1001(9) 1 d D U P D 5
C1Q C -0.03943(10) 0.59271(7) 0.59505(9) 0.0240(10) Uani 0.1001(9) 1 d D U P D
5
C2Q C -0.06805(9) 0.66959(8) 0.60958(7) 0.0243(11) Uani 0.1001(9) 1 d D U P D 5
C3Q C -0.02231(10) 0.72776(8) 0.59528(8) 0.0244(11) Uani 0.1001(9) 1 d D U P D
5
C4Q C 0.03493(9) 0.68591(8) 0.57271(8) 0.0244(10) Uani 0.1001(9) 1 d D U P D 5
C5Q C 0.09342(10) 0.72469(10) 0.55501(9) 0.0248(11) Uani 0.1001(9) 1 d D U P D
5
H5Q H 0.094492 0.782524 0.555808 0.030 Uiso 0.1001(9) 1 calc R U P D 5
C6Q C 0.15057(9) 0.68513(8) 0.53617(9) 0.0252(11) Uani 0.1001(9) 1 d D U P D 5
C7Q C 0.21197(10) 0.72738(8) 0.51807(9) 0.0256(11) Uani 0.1001(9) 1 d D U P D 5
C8Q C 0.25604(8) 0.66886(8) 0.50181(9) 0.0257(11) Uani 0.1001(9) 1 d D U P D 5
C9Q C 0.22145(10) 0.59163(7) 0.51013(10) 0.0253(11) Uani 0.1001(9) 1 d D U P D
5
C10Q C 0.25039(12) 0.51717(8) 0.49934(11) 0.0253(11) Uani 0.1001(9) 1 d D U P D
5
H10Q H 0.294797 0.516953 0.484235 0.030 Uiso 0.1001(9) 1 calc R U P D 5
C11Q C 0.21966(9) 0.44321(7) 0.50883(9) 0.0255(11) Uani 0.1001(9) 1 d D U P D 5
C12Q C 0.25460(9) 0.36547(8) 0.50162(9) 0.0259(11) Uani 0.1001(9) 1 d D U P D 5
C13Q C 0.20825(10) 0.30734(8) 0.51599(9) 0.0262(11) Uani 0.1001(9) 1 d D U P D
5
C14Q C 0.14525(9) 0.35043(8) 0.53195(8) 0.0255(11) Uani 0.1001(9) 1 d D U P D 5
C15Q C 0.08705(9) 0.31136(10) 0.54976(9) 0.0252(11) Uani 0.1001(9) 1 d D U P D
5
H15Q H 0.086001 0.253525 0.548784 0.030 Uiso 0.1001(9) 1 calc R U P D 5
C16Q C 0.03017(9) 0.35067(8) 0.56890(9) 0.0247(11) Uani 0.1001(9) 1 d D U P D 5
C17Q C -0.02824(10) 0.30876(8) 0.59031(9) 0.0248(11) Uani 0.1001(9) 1 d D U P D
5
C18Q C -0.07306(9) 0.36798(8) 0.60505(7) 0.0245(11) Uani 0.1001(9) 1 d D U P D
5
C19Q C -0.04107(10) 0.44479(7) 0.59347(10) 0.0243(10) Uani 0.1001(9) 1 d D U P
D 5
C20Q C -0.07050(13) 0.51887(8) 0.60430(12) 0.0241(11) Uani 0.1001(9) 1 d D U P
D 5
H20Q H -0.115182 0.518919 0.619139 0.029 Uiso 0.1001(9) 1 calc R U P D 5
C21Q C -0.13282(11) 0.67871(14) 0.63792(8) 0.0244(12) Uani 0.1001(9) 1 d D U P
D 5
H21C H -0.177978 0.641173 0.621326 0.029 Uiso 0.1001(9) 1 calc R U P D 5
H21D H -0.154199 0.735016 0.632833 0.029 Uiso 0.1001(9) 1 calc R U P D 5
C22Q C -0.1015(3) 0.6606(8) 0.69855(9) 0.0249(17) Uani 0.1001(9) 1 d D U P D 5
H22D H -0.079121 0.605309 0.703816 0.037 Uiso 0.1001(9) 1 calc R U P D 5
H22E H -0.146174 0.664931 0.715039 0.037 Uiso 0.1001(9) 1 calc R U P D 5
H22F H -0.059124 0.699838 0.715595 0.037 Uiso 0.1001(9) 1 calc R U P D 5
C23Q C -0.02428(16) 0.81797(9) 0.60315(12) 0.0248(12) Uani 0.1001(9) 1 d D U P
D 5
H23C H -0.078603 0.833906 0.605635 0.030 Uiso 0.1001(9) 1 calc R U P D 5
H23D H -0.015007 0.845715 0.571295 0.030 Uiso 0.1001(9) 1 calc R U P D 5
C24Q C 0.0397(4) 0.84630(19) 0.65425(16) 0.0261(17) Uani 0.1001(9) 1 d D U P D
5
H24D H 0.013018 0.863887 0.681321 0.039 Uiso 0.1001(9) 1 calc R U P D 5
H24E H 0.070316 0.891902 0.645265 0.039 Uiso 0.1001(9) 1 calc R U P D 5
H24F H 0.076712 0.801221 0.668860 0.039 Uiso 0.1001(9) 1 calc R U P D 5
C25Q C 0.22424(17) 0.81778(9) 0.52071(11) 0.0260(13) Uani 0.1001(9) 1 d D U P D
5
H25C H 0.171397 0.845023 0.505565 0.031 Uiso 0.1001(9) 1 calc R U P D 5
H25D H 0.259931 0.833081 0.498111 0.031 Uiso 0.1001(9) 1 calc R U P D 5
C26Q C 0.2623(8) 0.8483(2) 0.57921(13) 0.0269(18) Uani 0.1001(9) 1 d D U P D 5
H26D H 0.219679 0.870197 0.593739 0.040 Uiso 0.1001(9) 1 calc R U P D 5
H26E H 0.301835 0.891201 0.579067 0.040 Uiso 0.1001(9) 1 calc R U P D 5
H26F H 0.289378 0.802948 0.601852 0.040 Uiso 0.1001(9) 1 calc R U P D 5
C27Q C 0.33041(10) 0.67958(17) 0.48282(11) 0.0261(13) Uani 0.1001(9) 1 d D U P
D 5
H27C H 0.322097 0.725990 0.457316 0.031 Uiso 0.1001(9) 1 calc R U P D 5
H27D H 0.338667 0.630034 0.463122 0.031 Uiso 0.1001(9) 1 calc R U P D 5
C28Q C 0.40624(15) 0.6951(8) 0.52978(19) 0.0274(18) Uani 0.1001(9) 1 d D U P D
5
H28D H 0.449158 0.717299 0.515712 0.041 Uiso 0.1001(9) 1 calc R U P D 5
H28E H 0.424539 0.643777 0.548697 0.041 Uiso 0.1001(9) 1 calc R U P D 5
H28F H 0.393541 0.734138 0.555002 0.041 Uiso 0.1001(9) 1 calc R U P D 5
C29Q C 0.32560(11) 0.35261(16) 0.47953(11) 0.0262(13) Uani 0.1001(9) 1 d D U P
D 5
H29C H 0.319551 0.388276 0.447649 0.031 Uiso 0.1001(9) 1 calc R U P D 5
H29D H 0.325355 0.295476 0.467208 0.031 Uiso 0.1001(9) 1 calc R U P D 5
C30Q C 0.40614(13) 0.3703(9) 0.5202(2) 0.0264(18) Uani 0.1001(9) 1 d D U P D 5
H30D H 0.449951 0.360909 0.503519 0.040 Uiso 0.1001(9) 1 calc R U P D 5
H30E H 0.413259 0.334191 0.551552 0.040 Uiso 0.1001(9) 1 calc R U P D 5
H30F H 0.407371 0.427096 0.532056 0.040 Uiso 0.1001(9) 1 calc R U P D 5
C31Q C 0.21891(16) 0.21652(9) 0.51818(11) 0.0269(13) Uani 0.1001(9) 1 d D U P D
5
H31C H 0.258286 0.201415 0.498237 0.032 Uiso 0.1001(9) 1 calc R U P D 5
H31D H 0.166540 0.190615 0.499595 0.032 Uiso 0.1001(9) 1 calc R U P D 5
C32Q C 0.2486(12) 0.1828(2) 0.57600(12) 0.0289(18) Uani 0.1001(9) 1 d D U P D 5
H32D H 0.249586 0.226756 0.601930 0.043 Uiso 0.1001(9) 1 calc R U P D 5
H32E H 0.303193 0.160467 0.582112 0.043 Uiso 0.1001(9) 1 calc R U P D 5
H32F H 0.211821 0.139729 0.580849 0.043 Uiso 0.1001(9) 1 calc R U P D 5
C33Q C -0.03311(16) 0.21832(9) 0.59607(12) 0.0252(12) Uani 0.1001(9) 1 d D U P
D 5
H33C H -0.019367 0.191679 0.565320 0.030 Uiso 0.1001(9) 1 calc R U P D 5
H33D H -0.089427 0.203170 0.594436 0.030 Uiso 0.1001(9) 1 calc R U P D 5
C34Q C 0.0236(4) 0.18674(19) 0.64889(15) 0.0264(17) Uani 0.1001(9) 1 d D U P D
5
H34D H 0.076508 0.213312 0.655453 0.040 Uiso 0.1001(9) 1 calc R U P D 5
H34E H 0.030182 0.127715 0.646345 0.040 Uiso 0.1001(9) 1 calc R U P D 5
H34F H 0.000684 0.198902 0.678795 0.040 Uiso 0.1001(9) 1 calc R U P D 5
C35Q C -0.13990(11) 0.35999(14) 0.63184(8) 0.0246(12) Uani 0.1001(9) 1 d D U P
D 5
H35C H -0.163564 0.304711 0.625111 0.030 Uiso 0.1001(9) 1 calc R U P D 5
H35D H -0.183123 0.399775 0.615619 0.030 Uiso 0.1001(9) 1 calc R U P D 5
C36Q C -0.1094(2) 0.3747(9) 0.69302(9) 0.0251(17) Uani 0.1001(9) 1 d D U P D 5
H36D H -0.146053 0.348351 0.710889 0.038 Uiso 0.1001(9) 1 calc R U P D 5
H36E H -0.107706 0.433367 0.700245 0.038 Uiso 0.1001(9) 1 calc R U P D 5
H36F H -0.054924 0.351786 0.707002 0.038 Uiso 0.1001(9) 1 calc R U P D 5


_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 N1A 2.041(4) . ?
Sc1A C8A 2.3331(13) . ?
Sc1A C6A 2.3439(13) . ?
Sc1A C1A 2.3513(15) . ?
Sc1A C5A 2.3641(14) . ?
Sc1A C7A 2.3941(13) . ?
Sc1A C2A 2.4250(14) . ?
Sc1A C4A 2.4421(13) . ?
Sc1A C3A 2.4991(15) . ?
Sc1A C9A 2.6386(12) . ?
Sc1A C56A 2.6672(13) . ?
Sc1A C57A 2.7518(13) . ?
Sc2A N1A 1.978(4) . ?
Sc2A C33A 2.2711(14) . ?
Sc2A C37A 2.2861(15) . ?
Sc2A C32A 2.3324(14) . ?
Sc2A C34A 2.3374(15) . ?
Sc2A C38A 2.3492(14) . ?
Sc2A C36A 2.3529(13) . ?
Sc2A C35A 2.4175(13) . ?
Sc2A C62A 2.4193(13) . ?
Sc2A C31A 2.6940(13) . ?
Sc2A C29A 2.7020(14) . ?
Sc2A C39A 2.7288(13) . ?
Sc3A N1A 2.042(3) . ?
Sc3A C21A 2.3219(16) . ?
Sc3A C19A 2.3408(15) . ?
Sc3A C22A 2.3485(15) . ?
Sc3A C23A 2.3591(15) . ?
Sc3A C20A 2.3901(16) . ?
Sc3A C26A 2.4363(14) . ?
Sc3A C24A 2.4529(14) . ?
Sc3A C25A 2.5034(14) . ?
Sc3A C53A 2.6240(14) . ?
Sc3A C18A 2.6502(15) . ?
Sc3A C27A 2.7586(15) . ?
C1A C5A 1.4262(13) . ?
C1A C8A 1.4326(14) . ?
C1A C2A 1.4331(14) . ?
C2A C57A 1.4257(13) . ?
C2A C3A 1.4347(13) . ?
C3A C4A 1.4323(13) . ?
C3A C40A 1.4407(14) . ?
C4A C43A 1.4231(14) . ?
C4A C5A 1.4340(13) . ?
C5A C6A 1.4317(14) . ?
C6A C7A 1.4367(13) . ?
C6A C56A 1.4391(13) . ?
C7A C8A 1.4353(13) . ?
C7A C12A 1.4460(15) . ?
C8A C9A 1.4512(13) . ?
C9A C10A 1.4455(15) . ?
C9A C58A 1.4517(17) . ?
C10A C70A 1.4093(15) . ?
C10A C11A 1.4150(16) . ?
C11A C16A 1.4157(15) . ?
C11A C12A 1.4519(17) . ?
C12A C13A 1.4519(17) . ?
C13A C55A 1.4129(17) . ?
C13A C14A 1.4171(16) . ?
C14A C52A 1.4177(17) . ?
C14A C15A 1.4549(16) . ?
C15A C16A 1.4501(16) . ?
C15A C20A 1.4643(15) . ?
C16A C17A 1.4182(16) . ?
C17A C70A 1.4072(15) . ?
C17A C18A 1.4468(16) . ?
C18A C67A 1.4474(14) . ?
C18A C19A 1.4537(15) . ?
C19A C23A 1.4354(13) . ?
C19A C20A 1.4382(13) . ?
C20A C21A 1.4397(14) . ?
C21A C22A 1.4317(13) . ?
C21A C53A 1.4530(15) . ?
C22A C23A 1.4272(14) . ?
C22A C26A 1.4416(14) . ?
C23A C24A 1.4362(14) . ?
C24A C25A 1.4311(13) . ?
C24A C66A 1.4329(14) . ?
C25A C26A 1.4316(13) . ?
C25A C30A 1.4414(15) . ?
C26A C27A 1.4203(16) . ?
C27A C54A 1.4058(15) . ?
C27A C28A 1.4083(16) . ?
C28A C48A 1.4138(14) . ?
C28A C29A 1.4486(16) . ?
C29A C30A 1.4667(14) . ?
C29A C34A 1.4708(14) . ?
C30A C31A 1.4811(14) . ?
C31A C65A 1.4465(16) . ?
C31A C32A 1.4571(14) . ?
C32A C62A 1.4369(13) . ?
C32A C33A 1.4458(13) . ?
C33A C37A 1.4314(13) . ?
C33A C34A 1.4422(13) . ?
C34A C35A 1.4377(13) . ?
C35A C36A 1.4326(13) . ?
C35A C47A 1.4481(15) . ?
C36A C37A 1.4468(13) . ?
C36A C41A 1.4661(15) . ?
C37A C38A 1.4440(13) . ?
C38A C62A 1.4342(12) . ?
C38A C39A 1.4636(15) . ?
C39A C61A 1.4414(16) . ?
C39A C40A 1.4762(15) . ?
C40A C41A 1.4687(16) . ?
C41A C42A 1.4463(16) . ?
C42A C43A 1.4087(13) . ?
C42A C46A 1.4167(15) . ?
C43A C44A 1.4100(14) . ?
C44A C45A 1.4141(14) . ?
C44A C56A 1.4511(15) . ?
C45A C46A 1.4189(15) . ?
C45A C50A 1.4425(18) . ?
C46A C47A 1.4418(15) . ?
C47A C48A 1.4529(15) . ?
C48A C49A 1.4160(16) . ?
C49A C54A 1.4057(16) . ?
C49A C50A 1.4406(16) . ?
C50A C51A 1.4622(18) . ?
C51A C52A 1.4024(17) . ?
C51A C55A 1.4063(16) . ?
C52A C53A 1.4553(16) . ?
C53A C54A 1.4531(16) . ?
C55A C56A 1.4530(16) . ?
C57A C58A 1.4065(15) . ?
C57A C61A 1.4106(13) . ?
C58A C59A 1.4090(14) . ?
C59A C60A 1.4130(15) . ?
C59A C69A 1.4431(17) . ?
C60A C61A 1.4092(15) . ?
C60A C63A 1.4509(16) . ?
C62A C63A 1.4460(16) . ?
C63A C64A 1.4379(16) . ?
C64A C65A 1.4216(15) . ?
C64A C68A 1.4223(15) . ?
C65A C66A 1.4115(15) . ?
C66A C67A 1.4172(13) . ?
C67A C68A 1.4171(14) . ?
C68A C69A 1.4416(15) . ?
C69A C70A 1.4546(17) . ?
Sc1B N1B 2.00(2) . ?
Sc1B C6B 2.342(5) . ?
Sc1B C5B 2.375(4) . ?
Sc1B C8B 2.402(7) . ?
Sc1B C1B 2.405(6) . ?
Sc1B C4B 2.422(5) . ?
Sc1B C7B 2.429(5) . ?
Sc1B C2B 2.473(7) . ?
Sc1B C3B 2.503(5) . ?
Sc1B C56B 2.623(8) . ?
Sc1B C9B 2.718(9) . ?
Sc1B C43B 2.724(7) . ?
Sc2B N1B 2.00(2) . ?
Sc2B C34B 2.258(5) . ?
Sc2B C33B 2.265(3) . ?
Sc2B C37B 2.325(4) . ?
Sc2B C35B 2.341(5) . ?
Sc2B C36B 2.347(3) . ?
Sc2B C32B 2.364(4) . ?
Sc2B C38B 2.451(6) . ?
Sc2B C62B 2.515(6) . ?
Sc2B C29B 2.596(5) . ?
Sc2B C31B 2.687(3) . ?
Sc2B C41B 2.752(3) . ?
Sc3B N1B 2.04(2) . ?
Sc3B C19B 2.193(4) . ?
Sc3B C23B 2.304(4) . ?
Sc3B C24B 2.365(4) . ?
Sc3B C18B 2.378(6) . ?
Sc3B C20B 2.378(4) . ?
Sc3B C22B 2.474(5) . ?
Sc3B C21B 2.475(5) . ?
Sc3B C25B 2.569(4) . ?
Sc3B C66B 2.595(5) . ?
Sc3B C26B 2.627(5) . ?
Sc3B C67B 2.657(7) . ?
C1B C5B 1.4262(13) . ?
C1B C8B 1.4326(14) . ?
C1B C2B 1.4331(13) . ?
C2B C57B 1.4257(13) . ?
C2B C3B 1.4347(13) . ?
C3B C4B 1.4323(13) . ?
C3B C40B 1.4407(14) . ?
C4B C43B 1.4231(14) . ?
C4B C5B 1.4340(13) . ?
C5B C6B 1.4317(14) . ?
C6B C7B 1.4367(13) . ?
C6B C56B 1.4391(13) . ?
C7B C8B 1.4353(13) . ?
C7B C12B 1.4460(15) . ?
C8B C9B 1.4512(13) . ?
C9B C10B 1.4455(15) . ?
C9B C58B 1.4517(16) . ?
C10B C70B 1.4093(15) . ?
C10B C11B 1.4150(16) . ?
C11B C16B 1.4157(15) . ?
C11B C12B 1.4519(16) . ?
C12B C13B 1.4519(17) . ?
C13B C55B 1.4129(17) . ?
C13B C14B 1.4171(16) . ?
C14B C52B 1.4177(17) . ?
C14B C15B 1.4549(16) . ?
C15B C16B 1.4501(16) . ?
C15B C20B 1.4643(15) . ?
C16B C17B 1.4182(16) . ?
C17B C70B 1.4072(15) . ?
C17B C18B 1.4468(16) . ?
C18B C67B 1.4474(14) . ?
C18B C19B 1.4537(15) . ?
C19B C23B 1.4354(13) . ?
C19B C20B 1.4382(14) . ?
C20B C21B 1.4397(13) . ?
C21B C22B 1.4317(14) . ?
C21B C53B 1.4530(15) . ?
C22B C23B 1.4272(14) . ?
C22B C26B 1.4416(14) . ?
C23B C24B 1.4362(14) . ?
C24B C25B 1.4311(13) . ?
C24B C66B 1.4329(14) . ?
C25B C26B 1.4316(13) . ?
C25B C30B 1.4414(15) . ?
C26B C27B 1.4203(16) . ?
C27B C54B 1.4058(15) . ?
C27B C28B 1.4083(16) . ?
C28B C48B 1.4138(15) . ?
C28B C29B 1.4486(16) . ?
C29B C30B 1.4667(13) . ?
C29B C34B 1.4708(14) . ?
C30B C31B 1.4811(14) . ?
C31B C65B 1.4465(16) . ?
C31B C32B 1.4571(14) . ?
C32B C62B 1.4369(13) . ?
C32B C33B 1.4458(13) . ?
C33B C37B 1.4314(13) . ?
C33B C34B 1.4422(13) . ?
C34B C35B 1.4377(13) . ?
C35B C36B 1.4326(13) . ?
C35B C47B 1.4481(14) . ?
C36B C37B 1.4468(13) . ?
C36B C41B 1.4661(15) . ?
C37B C38B 1.4440(13) . ?
C38B C62B 1.4342(12) . ?
C38B C39B 1.4636(15) . ?
C39B C61B 1.4414(16) . ?
C39B C40B 1.4762(15) . ?
C40B C41B 1.4686(15) . ?
C41B C42B 1.4463(15) . ?
C42B C43B 1.4087(13) . ?
C42B C46B 1.4167(15) . ?
C43B C44B 1.4100(14) . ?
C44B C45B 1.4141(14) . ?
C44B C56B 1.4511(15) . ?
C45B C46B 1.4189(15) . ?
C45B C50B 1.4425(18) . ?
C46B C47B 1.4418(15) . ?
C47B C48B 1.4530(15) . ?
C48B C49B 1.4160(16) . ?
C49B C54B 1.4057(16) . ?
C49B C50B 1.4406(16) . ?
C50B C51B 1.4622(18) . ?
C51B C52B 1.4024(17) . ?
C51B C55B 1.4063(16) . ?
C52B C53B 1.4553(16) . ?
C53B C54B 1.4531(16) . ?
C55B C56B 1.4530(16) . ?
C57B C58B 1.4065(15) . ?
C57B C61B 1.4106(13) . ?
C58B C59B 1.4090(14) . ?
C59B C60B 1.4130(15) . ?
C59B C69B 1.4431(17) . ?
C60B C61B 1.4092(15) . ?
C60B C63B 1.4509(16) . ?
C62B C63B 1.4460(16) . ?
C63B C64B 1.4379(16) . ?
C64B C65B 1.4216(14) . ?
C64B C68B 1.4223(15) . ?
C65B C66B 1.4115(15) . ?
C66B C67B 1.4172(12) . ?
C67B C68B 1.4171(14) . ?
C68B C69B 1.4416(15) . ?
C69B C70B 1.4546(17) . ?
C1S C2S 1.342(9) . ?
C1S C3S 1.413(9) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.380(9) 3_756 ?
C2S H2S 0.9500 . ?
C3S H3S 0.9500 . ?
C4S C9S 1.378(6) . ?
C4S C5S 1.382(5) . ?
C4S C10S 1.550(8) . ?
C5S C6S 1.420(6) . ?
C5S H5S 0.9500 . ?
C6S C7S 1.370(6) . ?
C6S H6S 0.9500 . ?
C7S C8S 1.389(5) . ?
C7S H7S 0.9500 . ?
C8S C9S 1.393(6) . ?
C8S H8S 0.9500 . ?
C9S H9S 0.9500 . ?
C10S H10A 0.9800 . ?
C10S H10B 0.9800 . ?
C10S H10C 0.9800 . ?
Ni1P N2P 1.9571(12) . ?
Ni1P N4P 1.9583(12) . ?
Ni1P N1P 1.9586(12) . ?
Ni1P N3P 1.9590(12) . ?
N1P C4P 1.3812(16) . ?
N1P C1P 1.3818(19) . ?
N2P C6P 1.3744(17) . ?
N2P C9P 1.3863(19) . ?
N3P C14P 1.3772(17) . ?
N3P C11P 1.3848(19) . ?
N4P C19P 1.3787(19) . ?
N4P C16P 1.3818(16) . ?
C1P C20P 1.3728(18) . ?
C1P C2P 1.4421(18) . ?
C2P C3P 1.3529(19) . ?
C2P C21P 1.502(2) . ?
C3P C4P 1.450(2) . ?
C3P C23P 1.4967(18) . ?
C4P C5P 1.373(2) . ?
C5P C6P 1.376(2) . ?
C5P H5P 0.9500 . ?
C6P C7P 1.446(2) . ?
C7P C8P 1.361(2) . ?
C7P C25P 1.4982(19) . ?
C8P C9P 1.4424(18) . ?
C8P C27P 1.503(2) . ?
C9P C10P 1.3778(18) . ?
C10P C11P 1.3736(18) . ?
C10P H10P 0.9500 . ?
C11P C12P 1.4451(18) . ?
C12P C13P 1.360(2) . ?
C12P C29P 1.501(2) . ?
C13P C14P 1.4476(19) . ?
C13P C31P 1.5016(19) . ?
C14P C15P 1.372(2) . ?
C15P C16P 1.375(2) . ?
C15P H15P 0.9500 . ?
C16P C17P 1.449(2) . ?
C17P C18P 1.3598(19) . ?
C17P C33P 1.4971(18) . ?
C18P C19P 1.4405(18) . ?
C18P C35P 1.504(2) . ?
C19P C20P 1.3760(18) . ?
C20P H20P 0.9500 . ?
C21P C22P 1.532(2) . ?
C21P H21A 0.9900 . ?
C21P H21B 0.9900 . ?
C22P H22A 0.9800 . ?
C22P H22B 0.9800 . ?
C22P H22C 0.9800 . ?
C23P C24P 1.532(3) . ?
C23P H23A 0.9900 . ?
C23P H23B 0.9900 . ?
C24P H24A 0.9800 . ?
C24P H24B 0.9800 . ?
C24P H24C 0.9800 . ?
C25P C26P 1.548(3) . ?
C25P H25A 0.9900 . ?
C25P H25B 0.9900 . ?
C26P H26A 0.9800 . ?
C26P H26B 0.9800 . ?
C26P H26C 0.9800 . ?
C27P C28P 1.531(3) . ?
C27P H27A 0.9900 . ?
C27P H27B 0.9900 . ?
C28P H28A 0.9800 . ?
C28P H28B 0.9800 . ?
C28P H28C 0.9800 . ?
C29P C30P 1.513(3) . ?
C29P H29A 0.9900 . ?
C29P H29B 0.9900 . ?
C30P H30A 0.9800 . ?
C30P H30B 0.9800 . ?
C30P H30C 0.9800 . ?
C31P C32P 1.536(3) . ?
C31P H31A 0.9900 . ?
C31P H31B 0.9900 . ?
C32P H32A 0.9800 . ?
C32P H32B 0.9800 . ?
C32P H32C 0.9800 . ?
C33P C34P 1.526(3) . ?
C33P H33A 0.9900 . ?
C33P H33B 0.9900 . ?
C34P H34A 0.9800 . ?
C34P H34B 0.9800 . ?
C34P H34C 0.9800 . ?
C35P C36P 1.534(2) . ?
C35P H35A 0.9900 . ?
C35P H35B 0.9900 . ?
C36P H36A 0.9800 . ?
C36P H36B 0.9800 . ?
C36P H36C 0.9800 . ?
Ni1Q N2Q 1.9571(12) . ?
Ni1Q N4Q 1.9583(12) . ?
Ni1Q N1Q 1.9586(12) . ?
Ni1Q N3Q 1.9591(12) . ?
N1Q C4Q 1.3811(16) . ?
N1Q C1Q 1.3818(19) . ?
N2Q C6Q 1.3745(17) . ?
N2Q C9Q 1.3863(19) . ?
N3Q C14Q 1.3773(17) . ?
N3Q C11Q 1.3848(19) . ?
N4Q C19Q 1.3787(19) . ?
N4Q C16Q 1.3818(16) . ?
C1Q C20Q 1.3728(18) . ?
C1Q C2Q 1.4421(18) . ?
C2Q C3Q 1.3529(19) . ?
C2Q C21Q 1.502(2) . ?
C3Q C4Q 1.450(2) . ?
C3Q C23Q 1.4967(18) . ?
C4Q C5Q 1.373(2) . ?
C5Q C6Q 1.376(2) . ?
C5Q H5Q 0.9500 . ?
C6Q C7Q 1.446(2) . ?
C7Q C8Q 1.361(2) . ?
C7Q C25Q 1.4982(19) . ?
C8Q C9Q 1.4424(18) . ?
C8Q C27Q 1.503(2) . ?
C9Q C10Q 1.3778(19) . ?
C10Q C11Q 1.3736(18) . ?
C10Q H10Q 0.9500 . ?
C11Q C12Q 1.4451(18) . ?
C12Q C13Q 1.3601(19) . ?
C12Q C29Q 1.501(2) . ?
C13Q C14Q 1.4476(19) . ?
C13Q C31Q 1.5016(19) . ?
C14Q C15Q 1.372(2) . ?
C15Q C16Q 1.375(2) . ?
C15Q H15Q 0.9500 . ?
C16Q C17Q 1.449(2) . ?
C17Q C18Q 1.3598(19) . ?
C17Q C33Q 1.4971(18) . ?
C18Q C19Q 1.4406(18) . ?
C18Q C35Q 1.504(2) . ?
C19Q C20Q 1.3760(18) . ?
C20Q H20Q 0.9500 . ?
C21Q C22Q 1.532(2) . ?
C21Q H21C 0.9900 . ?
C21Q H21D 0.9900 . ?
C22Q H22D 0.9800 . ?
C22Q H22E 0.9800 . ?
C22Q H22F 0.9800 . ?
C23Q C24Q 1.532(3) . ?
C23Q H23C 0.9900 . ?
C23Q H23D 0.9900 . ?
C24Q H24D 0.9800 . ?
C24Q H24E 0.9800 . ?
C24Q H24F 0.9800 . ?
C25Q C26Q 1.548(3) . ?
C25Q H25C 0.9900 . ?
C25Q H25D 0.9900 . ?
C26Q H26D 0.9800 . ?
C26Q H26E 0.9800 . ?
C26Q H26F 0.9800 . ?
C27Q C28Q 1.531(3) . ?
C27Q H27C 0.9900 . ?
C27Q H27D 0.9900 . ?
C28Q H28D 0.9800 . ?
C28Q H28E 0.9800 . ?
C28Q H28F 0.9800 . ?
C29Q C30Q 1.513(3) . ?
C29Q H29C 0.9900 . ?
C29Q H29D 0.9900 . ?
C30Q H30D 0.9800 . ?
C30Q H30E 0.9800 . ?
C30Q H30F 0.9800 . ?
C31Q C32Q 1.536(3) . ?
C31Q H31C 0.9900 . ?
C31Q H31D 0.9900 . ?
C32Q H32D 0.9800 . ?
C32Q H32E 0.9800 . ?
C32Q H32F 0.9800 . ?
C33Q C34Q 1.526(3) . ?
C33Q H33C 0.9900 . ?
C33Q H33D 0.9900 . ?
C34Q H34D 0.9800 . ?
C34Q H34E 0.9800 . ?
C34Q H34F 0.9800 . ?
C35Q C36Q 1.534(2) . ?
C35Q H35C 0.9900 . ?
C35Q H35D 0.9900 . ?
C36Q H36D 0.9800 . ?
C36Q H36E 0.9800 . ?
C36Q H36F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1A Sc1A C8A 135.37(10) . . ?
N1A Sc1A C6A 133.73(11) . . ?
C8A Sc1A C6A 59.49(4) . . ?
N1A Sc1A C1A 163.65(10) . . ?
C8A Sc1A C1A 35.61(4) . . ?
C6A Sc1A C1A 59.04(4) . . ?
N1A Sc1A C5A 161.12(10) . . ?
C8A Sc1A C5A 59.11(4) . . ?
C6A Sc1A C5A 35.40(4) . . ?
C1A Sc1A C5A 35.21(4) . . ?
N1A Sc1A C7A 123.94(11) . . ?
C8A Sc1A C7A 35.32(3) . . ?
C6A Sc1A C7A 35.28(3) . . ?
C1A Sc1A C7A 58.41(4) . . ?
C5A Sc1A C7A 58.30(4) . . ?
N1A Sc1A C2A 135.72(11) . . ?
C8A Sc1A C2A 62.79(4) . . ?
C6A Sc1A C2A 90.46(5) . . ?
C1A Sc1A C2A 34.88(3) . . ?
C5A Sc1A C2A 57.67(4) . . ?
C7A Sc1A C2A 92.60(5) . . ?
N1A Sc1A C4A 134.17(10) . . ?
C8A Sc1A C4A 90.46(4) . . ?
C6A Sc1A C4A 62.28(4) . . ?
C1A Sc1A C4A 57.60(4) . . ?
C5A Sc1A C4A 34.67(3) . . ?
C7A Sc1A C4A 92.21(4) . . ?
C2A Sc1A C4A 56.45(4) . . ?
N1A Sc1A C3A 123.96(11) . . ?
C8A Sc1A C3A 92.06(4) . . ?
C6A Sc1A C3A 91.60(4) . . ?
C1A Sc1A C3A 57.37(4) . . ?
C5A Sc1A C3A 57.20(4) . . ?
C7A Sc1A C3A 112.06(5) . . ?
C2A Sc1A C3A 33.84(3) . . ?
C4A Sc1A C3A 33.67(3) . . ?
N1A Sc1A C9A 106.44(9) . . ?
C8A Sc1A C9A 33.23(3) . . ?
C6A Sc1A C9A 90.89(4) . . ?
C1A Sc1A C9A 59.54(3) . . ?
C5A Sc1A C9A 90.67(4) . . ?
C7A Sc1A C9A 59.23(4) . . ?
C2A Sc1A C9A 69.04(4) . . ?
C4A Sc1A C9A 116.81(4) . . ?
C3A Sc1A C9A 102.84(4) . . ?
N1A Sc1A C56A 104.98(10) . . ?
C8A Sc1A C56A 90.29(4) . . ?
C6A Sc1A C56A 32.57(3) . . ?
C1A Sc1A C56A 89.91(4) . . ?
C5A Sc1A C56A 58.72(4) . . ?
C7A Sc1A C56A 58.69(4) . . ?
C2A Sc1A C56A 116.03(4) . . ?
C4A Sc1A C56A 68.12(4) . . ?
C3A Sc1A C56A 101.75(4) . . ?
C9A Sc1A C56A 117.86(4) . . ?
N1A Sc1A C57A 108.81(11) . . ?
C8A Sc1A C57A 67.81(4) . . ?
C6A Sc1A C57A 116.03(4) . . ?
C1A Sc1A C57A 57.04(3) . . ?
C5A Sc1A C57A 87.43(4) . . ?
C7A Sc1A C57A 103.12(4) . . ?
C2A Sc1A C57A 31.16(3) . . ?
C4A Sc1A C57A 85.76(4) . . ?
C3A Sc1A C57A 55.85(4) . . ?
C9A Sc1A C57A 54.72(3) . . ?
C56A Sc1A C57A 146.05(4) . . ?
N1A Sc2A C33A 162.67(11) . . ?
N1A Sc2A C37A 160.72(11) . . ?
C33A Sc2A C37A 36.61(4) . . ?
N1A Sc2A C32A 133.74(10) . . ?
C33A Sc2A C32A 36.58(4) . . ?
C37A Sc2A C32A 60.59(4) . . ?
N1A Sc2A C34A 133.64(10) . . ?
C33A Sc2A C34A 36.44(4) . . ?
C37A Sc2A C34A 60.48(4) . . ?
C32A Sc2A C34A 64.90(4) . . ?
N1A Sc2A C38A 132.60(11) . . ?
C33A Sc2A C38A 60.49(4) . . ?
C37A Sc2A C38A 36.27(4) . . ?
C32A Sc2A C38A 59.74(4) . . ?
C34A Sc2A C38A 93.75(4) . . ?
N1A Sc2A C36A 132.38(10) . . ?
C33A Sc2A C36A 60.46(4) . . ?
C37A Sc2A C36A 36.31(3) . . ?
C32A Sc2A C36A 93.87(4) . . ?
C34A Sc2A C36A 59.62(4) . . ?
C38A Sc2A C36A 64.34(4) . . ?
N1A Sc2A C35A 122.50(10) . . ?
C33A Sc2A C35A 59.26(4) . . ?
C37A Sc2A C35A 59.09(4) . . ?
C32A Sc2A C35A 94.96(4) . . ?
C34A Sc2A C35A 35.15(3) . . ?
C38A Sc2A C35A 94.38(4) . . ?
C36A Sc2A C35A 34.92(3) . . ?
N1A Sc2A C62A 122.82(10) . . ?
C33A Sc2A C62A 59.28(4) . . ?
C37A Sc2A C62A 59.06(4) . . ?
C32A Sc2A C62A 35.14(3) . . ?
C34A Sc2A C62A 94.86(4) . . ?
C38A Sc2A C62A 34.97(3) . . ?
C36A Sc2A C62A 94.41(4) . . ?
C35A Sc2A C62A 114.66(4) . . ?
N1A Sc2A C31A 105.13(10) . . ?
C33A Sc2A C31A 60.08(4) . . ?
C37A Sc2A C31A 91.89(4) . . ?
C32A Sc2A C31A 32.70(4) . . ?
C34A Sc2A C31A 70.43(4) . . ?
C38A Sc2A C31A 90.22(4) . . ?
C36A Sc2A C31A 120.36(4) . . ?
C35A Sc2A C31A 105.57(4) . . ?
C62A Sc2A C31A 58.30(3) . . ?
N1A Sc2A C29A 104.89(11) . . ?
C33A Sc2A C29A 60.13(4) . . ?
C37A Sc2A C29A 92.01(4) . . ?
C32A Sc2A C29A 70.41(4) . . ?
C34A Sc2A C29A 32.94(4) . . ?
C38A Sc2A C29A 120.44(4) . . ?
C36A Sc2A C29A 90.31(4) . . ?
C35A Sc2A C29A 58.43(3) . . ?
C62A Sc2A C29A 105.55(4) . . ?
C31A Sc2A C29A 56.18(3) . . ?
N1A Sc2A C39A 103.93(11) . . ?
C33A Sc2A C39A 91.46(5) . . ?
C37A Sc2A C39A 59.49(4) . . ?
C32A Sc2A C39A 89.95(5) . . ?
C34A Sc2A C39A 119.75(4) . . ?
C38A Sc2A C39A 32.42(4) . . ?
C36A Sc2A C39A 69.58(3) . . ?
C35A Sc2A C39A 104.49(4) . . ?
C62A Sc2A C39A 57.86(4) . . ?
C31A Sc2A C39A 115.93(4) . . ?
C29A Sc2A C39A 151.18(4) . . ?
N1A Sc3A C21A 136.06(11) . . ?
N1A Sc3A C19A 134.64(10) . . ?
C21A Sc3A C19A 59.82(4) . . ?
N1A Sc3A C22A 163.23(10) . . ?
C21A Sc3A C22A 35.70(4) . . ?
C19A Sc3A C22A 59.36(4) . . ?
N1A Sc3A C23A 161.27(10) . . ?
C21A Sc3A C23A 59.26(4) . . ?
C19A Sc3A C23A 35.56(3) . . ?
C22A Sc3A C23A 35.30(4) . . ?
N1A Sc3A C20A 125.15(11) . . ?
C21A Sc3A C20A 35.54(4) . . ?
C19A Sc3A C20A 35.38(3) . . ?
C22A Sc3A C20A 58.64(4) . . ?
C23A Sc3A C20A 58.42(4) . . ?
N1A Sc3A C26A 134.40(10) . . ?
C21A Sc3A C26A 63.05(4) . . ?
C19A Sc3A C26A 90.79(4) . . ?
C22A Sc3A C26A 35.01(4) . . ?
C23A Sc3A C26A 57.74(4) . . ?
C20A Sc3A C26A 92.99(4) . . ?
N1A Sc3A C24A 133.36(11) . . ?
C21A Sc3A C24A 90.55(4) . . ?
C19A Sc3A C24A 62.36(4) . . ?
C22A Sc3A C24A 57.59(4) . . ?
C23A Sc3A C24A 34.66(4) . . ?
C20A Sc3A C24A 92.32(4) . . ?
C26A Sc3A C24A 56.27(4) . . ?
N1A Sc3A C25A 122.64(11) . . ?
C21A Sc3A C25A 92.13(4) . . ?
C19A Sc3A C25A 91.66(4) . . ?
C22A Sc3A C25A 57.34(4) . . ?
C23A Sc3A C25A 57.16(4) . . ?
C20A Sc3A C25A 112.19(5) . . ?
C26A Sc3A C25A 33.66(3) . . ?
C24A Sc3A C25A 33.55(3) . . ?
N1A Sc3A C53A 106.60(11) . . ?
C21A Sc3A C53A 33.46(4) . . ?
C19A Sc3A C53A 91.50(4) . . ?
C22A Sc3A C53A 59.67(4) . . ?
C23A Sc3A C53A 90.97(4) . . ?
C20A Sc3A C53A 59.77(4) . . ?
C26A Sc3A C53A 69.13(4) . . ?
C24A Sc3A C53A 116.88(4) . . ?
C25A Sc3A C53A 102.74(4) . . ?
N1A Sc3A C18A 105.08(9) . . ?
C21A Sc3A C18A 91.16(4) . . ?
C19A Sc3A C18A 33.13(4) . . ?
C22A Sc3A C18A 90.75(4) . . ?
C23A Sc3A C18A 59.37(4) . . ?
C20A Sc3A C18A 59.25(4) . . ?
C26A Sc3A C18A 116.66(4) . . ?
C24A Sc3A C18A 68.44(4) . . ?
C25A Sc3A C18A 101.91(4) . . ?
C53A Sc3A C18A 118.95(4) . . ?
N1A Sc3A C27A 107.92(10) . . ?
C21A Sc3A C27A 68.10(4) . . ?
C19A Sc3A C27A 116.34(4) . . ?
C22A Sc3A C27A 57.02(4) . . ?
C23A Sc3A C27A 87.33(4) . . ?
C20A Sc3A C27A 103.62(5) . . ?
C26A Sc3A C27A 30.95(3) . . ?
C24A Sc3A C27A 85.33(4) . . ?
C25A Sc3A C27A 55.47(4) . . ?
C53A Sc3A C27A 54.87(4) . . ?
C18A Sc3A C27A 146.66(4) . . ?
Sc2A N1A Sc1A 104.97(16) . . ?
Sc2A N1A Sc3A 104.75(16) . . ?
Sc1A N1A Sc3A 150.3(2) . . ?
C5A C1A C8A 108.28(8) . . ?
C5A C1A C2A 107.80(8) . . ?
C8A C1A C2A 119.86(9) . . ?
C5A C1A Sc1A 72.88(6) . . ?
C8A C1A Sc1A 71.50(6) . . ?
C2A C1A Sc1A 75.37(7) . . ?
C57A C2A C1A 118.88(8) . . ?
C57A C2A C3A 119.36(8) . . ?
C1A C2A C3A 108.79(8) . . ?
C57A C2A Sc1A 87.18(7) . . ?
C1A C2A Sc1A 69.75(7) . . ?
C3A C2A Sc1A 75.92(7) . . ?
C4A C3A C2A 106.81(8) . . ?
C4A C3A C40A 120.71(8) . . ?
C2A C3A C40A 120.90(8) . . ?
C4A C3A Sc1A 70.98(7) . . ?
C2A C3A Sc1A 70.25(7) . . ?
C40A C3A Sc1A 93.06(9) . . ?
C43A C4A C3A 119.47(8) . . ?
C43A C4A C5A 118.83(9) . . ?
C3A C4A C5A 108.84(8) . . ?
C43A C4A Sc1A 87.92(7) . . ?
C3A C4A Sc1A 75.35(7) . . ?
C5A C4A Sc1A 69.69(7) . . ?
C1A C5A C6A 108.10(8) . . ?
C1A C5A C4A 107.76(8) . . ?
C6A C5A C4A 119.57(9) . . ?
C1A C5A Sc1A 71.91(6) . . ?
C6A C5A Sc1A 71.53(6) . . ?
C4A C5A Sc1A 75.64(6) . . ?
C5A C6A C7A 107.81(8) . . ?
C5A C6A C56A 119.59(8) . . ?
C7A C6A C56A 120.11(8) . . ?
C5A C6A Sc1A 73.07(6) . . ?
C7A C6A Sc1A 74.26(6) . . ?
C56A C6A Sc1A 86.17(7) . . ?
C8A C7A C6A 107.79(8) . . ?
C8A C7A C12A 120.75(9) . . ?
C6A C7A C12A 120.34(9) . . ?
C8A C7A Sc1A 70.02(6) . . ?
C6A C7A Sc1A 70.45(6) . . ?
C12A C7A Sc1A 94.61(9) . . ?
C1A C8A C7A 107.71(8) . . ?
C1A C8A C9A 119.42(8) . . ?
C7A C8A C9A 119.69(8) . . ?
C1A C8A Sc1A 72.89(6) . . ?
C7A C8A Sc1A 74.66(6) . . ?
C9A C8A Sc1A 85.03(6) . . ?
C10A C9A C8A 117.43(9) . . ?
C10A C9A C58A 118.26(8) . . ?
C8A C9A C58A 118.31(8) . . ?
C10A C9A Sc1A 99.55(8) . . ?
C8A C9A Sc1A 61.75(6) . . ?
C58A C9A Sc1A 84.90(7) . . ?
C70A C10A C11A 108.05(9) . . ?
C70A C10A C9A 120.68(10) . . ?
C11A C10A C9A 121.41(10) . . ?
C10A C11A C16A 107.81(9) . . ?
C10A C11A C12A 120.13(11) . . ?
C16A C11A C12A 120.67(9) . . ?
C7A C12A C11A 117.82(10) . . ?
C7A C12A C13A 118.07(10) . . ?
C11A C12A C13A 118.67(9) . . ?
C55A C13A C14A 107.90(10) . . ?
C55A C13A C12A 120.08(11) . . ?
C14A C13A C12A 120.68(9) . . ?
C13A C14A C52A 107.47(10) . . ?
C13A C14A C15A 120.57(9) . . ?
C52A C14A C15A 120.48(10) . . ?
C16A C15A C14A 118.65(9) . . ?
C16A C15A C20A 117.97(9) . . ?
C14A C15A C20A 117.80(9) . . ?
C11A C16A C17A 107.77(9) . . ?
C11A C16A C15A 120.75(9) . . ?
C17A C16A C15A 120.31(10) . . ?
C70A C17A C16A 107.99(9) . . ?
C70A C17A C18A 120.66(9) . . ?
C16A C17A C18A 121.15(10) . . ?
C17A C18A C67A 118.44(9) . . ?
C17A C18A C19A 117.75(8) . . ?
C67A C18A C19A 118.88(8) . . ?
C17A C18A Sc3A 99.92(9) . . ?
C67A C18A Sc3A 86.86(7) . . ?
C19A C18A Sc3A 61.66(7) . . ?
C23A C19A C20A 107.52(8) . . ?
C23A C19A C18A 119.34(9) . . ?
C20A C19A C18A 119.79(10) . . ?
C23A C19A Sc3A 72.91(7) . . ?
C20A C19A Sc3A 74.18(8) . . ?
C18A C19A Sc3A 85.20(8) . . ?
C19A C20A C21A 107.78(8) . . ?
C19A C20A C15A 120.07(10) . . ?
C21A C20A C15A 120.15(10) . . ?
C19A C20A Sc3A 70.44(7) . . ?
C21A C20A Sc3A 69.64(7) . . ?
C15A C20A Sc3A 93.74(9) . . ?
C22A C21A C20A 107.84(8) . . ?
C22A C21A C53A 118.97(9) . . ?
C20A C21A C53A 120.10(10) . . ?
C22A C21A Sc3A 73.16(7) . . ?
C20A C21A Sc3A 74.81(8) . . ?
C53A C21A Sc3A 84.75(8) . . ?
C23A C22A C21A 108.10(8) . . ?
C23A C22A C26A 107.69(9) . . ?
C21A C22A C26A 120.12(10) . . ?
C23A C22A Sc3A 72.76(7) . . ?
C21A C22A Sc3A 71.14(8) . . ?
C26A C22A Sc3A 75.83(7) . . ?
C22A C23A C19A 108.40(8) . . ?
C22A C23A C24A 107.86(9) . . ?
C19A C23A C24A 119.76(9) . . ?
C22A C23A Sc3A 71.95(7) . . ?
C19A C23A Sc3A 71.52(7) . . ?
C24A C23A Sc3A 76.24(7) . . ?
C25A C24A C66A 119.36(9) . . ?
C25A C24A C23A 108.66(8) . . ?
C66A C24A C23A 118.95(8) . . ?
C25A C24A Sc3A 75.16(6) . . ?
C66A C24A Sc3A 88.43(7) . . ?
C23A C24A Sc3A 69.10(6) . . ?
C24A C25A C26A 107.29(7) . . ?
C24A C25A C30A 121.29(8) . . ?
C26A C25A C30A 121.11(8) . . ?
C24A C25A Sc3A 71.29(5) . . ?
C26A C25A Sc3A 70.60(6) . . ?
C30A C25A Sc3A 94.33(7) . . ?
C27A C26A C25A 119.16(9) . . ?
C27A C26A C22A 118.85(8) . . ?
C25A C26A C22A 108.50(8) . . ?
C27A C26A Sc3A 87.16(7) . . ?
C25A C26A Sc3A 75.74(6) . . ?
C22A C26A Sc3A 69.16(6) . . ?
C54A C27A C28A 108.68(9) . . ?
C54A C27A C26A 120.84(10) . . ?
C28A C27A C26A 120.66(9) . . ?
C54A C27A Sc3A 80.47(9) . . ?
C28A C27A Sc3A 99.62(8) . . ?
C26A C27A Sc3A 61.89(7) . . ?
C27A C28A C48A 107.36(9) . . ?
C27A C28A C29A 120.73(9) . . ?
C48A C28A C29A 121.18(9) . . ?
C28A C29A C30A 118.47(9) . . ?
C28A C29A C34A 116.90(7) . . ?
C30A C29A C34A 119.33(7) . . ?
C28A C29A Sc2A 104.19(7) . . ?
C30A C29A Sc2A 84.27(6) . . ?
C34A C29A Sc2A 59.78(6) . . ?
C25A C30A C29A 118.15(8) . . ?
C25A C30A C31A 117.93(8) . . ?
C29A C30A C31A 119.06(7) . . ?
C65A C31A C32A 116.85(7) . . ?
C65A C31A C30A 118.58(9) . . ?
C32A C31A C30A 119.41(7) . . ?
C65A C31A Sc2A 104.36(7) . . ?
C32A C31A Sc2A 59.87(6) . . ?
C30A C31A Sc2A 84.31(6) . . ?
C62A C32A C33A 107.40(7) . . ?
C62A C32A C31A 119.68(9) . . ?
C33A C32A C31A 119.86(8) . . ?
C62A C32A Sc2A 75.74(7) . . ?
C33A C32A Sc2A 69.41(6) . . ?
C31A C32A Sc2A 87.43(8) . . ?
C37A C33A C34A 108.28(8) . . ?
C37A C33A C32A 108.16(8) . . ?
C34A C33A C32A 120.35(9) . . ?
C37A C33A Sc2A 72.26(8) . . ?
C34A C33A Sc2A 74.28(7) . . ?
C32A C33A Sc2A 74.01(7) . . ?
C35A C34A C33A 107.43(7) . . ?
C35A C34A C29A 119.40(9) . . ?
C33A C34A C29A 119.73(8) . . ?
C35A C34A Sc2A 75.47(7) . . ?
C33A C34A Sc2A 69.28(7) . . ?
C29A C34A Sc2A 87.28(8) . . ?
C36A C35A C34A 108.66(8) . . ?
C36A C35A C47A 120.29(9) . . ?
C34A C35A C47A 120.30(8) . . ?
C36A C35A Sc2A 70.08(6) . . ?
C34A C35A Sc2A 69.38(7) . . ?
C47A C35A Sc2A 96.33(8) . . ?
C35A C36A C37A 107.50(7) . . ?
C35A C36A C41A 119.60(9) . . ?
C37A C36A C41A 119.80(8) . . ?
C35A C36A Sc2A 75.00(7) . . ?
C37A C36A Sc2A 69.33(7) . . ?
C41A C36A Sc2A 88.14(7) . . ?
C33A C37A C38A 108.13(8) . . ?
C33A C37A C36A 108.04(8) . . ?
C38A C37A C36A 120.00(10) . . ?
C33A C37A Sc2A 71.13(7) . . ?
C38A C37A Sc2A 74.25(7) . . ?
C36A C37A Sc2A 74.36(7) . . ?
C62A C38A C37A 107.57(7) . . ?
C62A C38A C39A 119.63(9) . . ?
C37A C38A C39A 119.98(8) . . ?
C62A C38A Sc2A 75.19(7) . . ?
C37A C38A Sc2A 69.48(6) . . ?
C39A C38A Sc2A 88.22(7) . . ?
C61A C39A C38A 116.95(8) . . ?
C61A C39A C40A 118.44(8) . . ?
C38A C39A C40A 119.35(8) . . ?
C61A C39A Sc2A 104.14(8) . . ?
C38A C39A Sc2A 59.37(6) . . ?
C40A C39A Sc2A 84.78(8) . . ?
C3A C40A C41A 118.33(8) . . ?
C3A C40A C39A 118.14(8) . . ?
C41A C40A C39A 119.00(9) . . ?
C42A C41A C36A 116.76(8) . . ?
C42A C41A C40A 118.47(8) . . ?
C36A C41A C40A 119.52(8) . . ?
C42A C41A Sc2A 104.12(8) . . ?
C36A C41A Sc2A 59.42(6) . . ?
C40A C41A Sc2A 84.81(8) . . ?
C43A C42A C46A 107.39(9) . . ?
C43A C42A C41A 120.74(9) . . ?
C46A C42A C41A 120.99(9) . . ?
C42A C43A C44A 108.85(8) . . ?
C42A C43A C4A 120.54(8) . . ?
C44A C43A C4A 121.03(8) . . ?
C42A C43A Sc1A 99.06(8) . . ?
C44A C43A Sc1A 81.96(6) . . ?
C4A C43A Sc1A 61.33(6) . . ?
C43A C44A C45A 107.51(8) . . ?
C43A C44A C56A 119.76(8) . . ?
C45A C44A C56A 121.43(9) . . ?
C44A C45A C46A 108.00(9) . . ?
C44A C45A C50A 120.69(10) . . ?
C46A C45A C50A 120.49(9) . . ?
C42A C46A C45A 107.92(9) . . ?
C42A C46A C47A 120.31(9) . . ?
C45A C46A C47A 120.66(9) . . ?
C46A C47A C35A 118.65(8) . . ?
C46A C47A C48A 118.16(8) . . ?
C35A C47A C48A 118.69(8) . . ?
C28A C48A C49A 107.72(9) . . ?
C28A C48A C47A 120.12(9) . . ?
C49A C48A C47A 120.35(9) . . ?
C54A C49A C48A 108.21(9) . . ?
C54A C49A C50A 120.46(10) . . ?
C48A C49A C50A 120.73(10) . . ?
C49A C50A C45A 118.28(9) . . ?
C49A C50A C51A 118.33(10) . . ?
C45A C50A C51A 118.06(10) . . ?
C52A C51A C55A 108.33(11) . . ?
C52A C51A C50A 120.80(10) . . ?
C55A C51A C50A 120.73(11) . . ?
C51A C52A C14A 108.14(10) . . ?
C51A C52A C53A 120.88(11) . . ?
C14A C52A C53A 121.08(10) . . ?
C54A C53A C21A 118.53(8) . . ?
C54A C53A C52A 117.57(9) . . ?
C21A C53A C52A 117.64(9) . . ?
C54A C53A Sc3A 84.77(8) . . ?
C21A C53A Sc3A 61.78(6) . . ?
C52A C53A Sc3A 99.27(9) . . ?
C49A C54A C27A 107.61(10) . . ?
C49A C54A C53A 121.70(9) . . ?
C27A C54A C53A 120.55(10) . . ?
C51A C55A C13A 107.99(10) . . ?
C51A C55A C56A 121.17(11) . . ?
C13A C55A C56A 121.14(10) . . ?
C6A C56A C44A 118.78(8) . . ?
C6A C56A C55A 117.61(9) . . ?
C44A C56A C55A 117.57(9) . . ?
C6A C56A Sc1A 61.26(6) . . ?
C44A C56A Sc1A 85.62(6) . . ?
C55A C56A Sc1A 99.44(8) . . ?
C58A C57A C61A 108.66(8) . . ?
C58A C57A C2A 120.89(8) . . ?
C61A C57A C2A 120.50(8) . . ?
C58A C57A Sc1A 81.36(8) . . ?
C61A C57A Sc1A 98.66(8) . . ?
C2A C57A Sc1A 61.66(6) . . ?
C57A C58A C59A 107.43(8) . . ?
C57A C58A C9A 120.32(9) . . ?
C59A C58A C9A 121.00(9) . . ?
C58A C59A C60A 108.20(9) . . ?
C58A C59A C69A 120.64(10) . . ?
C60A C59A C69A 120.70(9) . . ?
C61A C60A C59A 107.96(9) . . ?
C61A C60A C63A 120.21(10) . . ?
C59A C60A C63A 120.57(10) . . ?
C60A C61A C57A 107.34(9) . . ?
C60A C61A C39A 121.22(9) . . ?
C57A C61A C39A 121.02(9) . . ?
C38A C62A C32A 108.59(7) . . ?
C38A C62A C63A 120.17(9) . . ?
C32A C62A C63A 120.14(9) . . ?
C38A C62A Sc2A 69.84(6) . . ?
C32A C62A Sc2A 69.12(7) . . ?
C63A C62A Sc2A 96.32(9) . . ?
C64A C63A C62A 118.82(9) . . ?
C64A C63A C60A 118.14(9) . . ?
C62A C63A C60A 118.52(8) . . ?
C65A C64A C68A 107.94(9) . . ?
C65A C64A C63A 120.09(10) . . ?
C68A C64A C63A 120.65(9) . . ?
C66A C65A C64A 107.44(8) . . ?
C66A C65A C31A 120.93(9) . . ?
C64A C65A C31A 120.95(9) . . ?
C65A C66A C67A 108.72(8) . . ?
C65A C66A C24A 120.39(9) . . ?
C67A C66A C24A 120.72(8) . . ?
C65A C66A Sc3A 99.15(8) . . ?
C67A C66A Sc3A 81.42(6) . . ?
C24A C66A Sc3A 60.88(6) . . ?
C68A C67A C66A 107.53(9) . . ?
C68A C67A C18A 120.82(8) . . ?
C66A C67A C18A 119.88(8) . . ?
C67A C68A C64A 108.00(9) . . ?
C67A C68A C69A 120.44(9) . . ?
C64A C68A C69A 120.52(9) . . ?
C68A C69A C59A 118.04(9) . . ?
C68A C69A C70A 118.49(9) . . ?
C59A C69A C70A 118.32(9) . . ?
C17A C70A C10A 108.20(9) . . ?
C17A C70A C69A 120.72(9) . . ?
C10A C70A C69A 120.75(10) . . ?
N1B Sc1B C6B 137.1(6) . . ?
N1B Sc1B C5B 167.5(7) . . ?
C6B Sc1B C5B 35.33(7) . . ?
N1B Sc1B C8B 130.9(7) . . ?
C6B Sc1B C8B 58.55(11) . . ?
C5B Sc1B C8B 58.03(12) . . ?
N1B Sc1B C1B 157.7(6) . . ?
C6B Sc1B C1B 58.32(10) . . ?
C5B Sc1B C1B 34.71(7) . . ?
C8B Sc1B C1B 34.67(10) . . ?
N1B Sc1B C4B 139.5(7) . . ?
C6B Sc1B C4B 62.61(12) . . ?
C5B Sc1B C4B 34.77(7) . . ?
C8B Sc1B C4B 89.32(15) . . ?
C1B Sc1B C4B 57.19(10) . . ?
N1B Sc1B C7B 123.1(7) . . ?
C6B Sc1B C7B 34.99(8) . . ?
C5B Sc1B C7B 57.68(10) . . ?
C8B Sc1B C7B 34.56(8) . . ?
C1B Sc1B C7B 57.25(12) . . ?
C4B Sc1B C7B 91.84(14) . . ?
N1B Sc1B C2B 133.3(6) . . ?
C6B Sc1B C2B 89.32(15) . . ?
C5B Sc1B C2B 56.87(12) . . ?
C8B Sc1B C2B 61.13(18) . . ?
C1B Sc1B C2B 34.13(10) . . ?
C4B Sc1B C2B 56.08(11) . . ?
C7B Sc1B C2B 90.6(2) . . ?
N1B Sc1B C3B 125.7(6) . . ?
C6B Sc1B C3B 91.55(13) . . ?
C5B Sc1B C3B 57.03(10) . . ?
C8B Sc1B C3B 90.3(2) . . ?
C1B Sc1B C3B 56.68(12) . . ?
C4B Sc1B C3B 33.76(7) . . ?
C7B Sc1B C3B 110.74(17) . . ?
C2B Sc1B C3B 33.51(8) . . ?
N1B Sc1B C56B 109.5(6) . . ?
C6B Sc1B C56B 33.08(11) . . ?
C5B Sc1B C56B 59.28(15) . . ?
C8B Sc1B C56B 89.86(16) . . ?
C1B Sc1B C56B 89.80(14) . . ?
C4B Sc1B C56B 69.14(18) . . ?
C7B Sc1B C56B 58.96(14) . . ?
C2B Sc1B C56B 115.92(15) . . ?
C3B Sc1B C56B 102.9(2) . . ?
N1B Sc1B C9B 102.2(6) . . ?
C6B Sc1B C9B 88.99(19) . . ?
C5B Sc1B C9B 88.5(2) . . ?
C8B Sc1B C9B 32.18(11) . . ?
C1B Sc1B C9B 57.78(18) . . ?
C4B Sc1B C9B 114.6(2) . . ?
C7B Sc1B C9B 57.69(16) . . ?
C2B Sc1B C9B 67.1(2) . . ?
C3B Sc1B C9B 100.5(3) . . ?
C56B Sc1B C9B 116.60(18) . . ?
N1B Sc1B C43B 112.8(6) . . ?
C6B Sc1B C43B 68.01(18) . . ?
C5B Sc1B C43B 57.20(13) . . ?
C8B Sc1B C43B 115.18(14) . . ?
C1B Sc1B C43B 87.17(13) . . ?
C4B Sc1B C43B 31.41(9) . . ?
C7B Sc1B C43B 103.0(2) . . ?
C2B Sc1B C43B 85.74(14) . . ?
C3B Sc1B C43B 56.12(12) . . ?
C56B Sc1B C43B 55.10(17) . . ?
C9B Sc1B C43B 144.84(18) . . ?
N1B Sc2B C34B 141.6(6) . . ?
N1B Sc2B C33B 164.7(6) . . ?
C34B Sc2B C33B 37.19(6) . . ?
N1B Sc2B C37B 155.5(6) . . ?
C34B Sc2B C37B 61.06(8) . . ?
C33B Sc2B C37B 36.31(6) . . ?
N1B Sc2B C35B 129.3(5) . . ?
C34B Sc2B C35B 36.38(8) . . ?
C33B Sc2B C35B 60.50(10) . . ?
C37B Sc2B C35B 59.69(9) . . ?
N1B Sc2B C36B 134.6(6) . . ?
C34B Sc2B C36B 60.80(10) . . ?
C33B Sc2B C36B 60.63(8) . . ?
C37B Sc2B C36B 36.07(6) . . ?
C35B Sc2B C36B 35.59(7) . . ?
N1B Sc2B C32B 130.4(5) . . ?
C34B Sc2B C32B 65.60(9) . . ?
C33B Sc2B C32B 36.32(7) . . ?
C37B Sc2B C32B 59.58(11) . . ?
C35B Sc2B C32B 96.17(12) . . ?
C36B Sc2B C32B 93.19(12) . . ?
N1B Sc2B C38B 125.3(5) . . ?
C34B Sc2B C38B 93.08(12) . . ?
C33B Sc2B C38B 59.01(12) . . ?
C37B Sc2B C38B 35.07(8) . . ?
C35B Sc2B C38B 93.72(12) . . ?
C36B Sc2B C38B 62.86(10) . . ?
C32B Sc2B C38B 57.89(13) . . ?
N1B Sc2B C62B 116.2(5) . . ?
C34B Sc2B C62B 94.29(13) . . ?
C33B Sc2B C62B 57.87(12) . . ?
C37B Sc2B C62B 57.17(13) . . ?
C35B Sc2B C62B 113.90(14) . . ?
C36B Sc2B C62B 92.08(16) . . ?
C32B Sc2B C62B 34.08(8) . . ?
C38B Sc2B C62B 33.54(9) . . ?
N1B Sc2B C29B 110.4(6) . . ?
C34B Sc2B C29B 34.38(8) . . ?
C33B Sc2B C29B 61.98(10) . . ?
C37B Sc2B C29B 93.85(12) . . ?
C35B Sc2B C29B 60.88(14) . . ?
C36B Sc2B C29B 93.08(17) . . ?
C32B Sc2B C29B 71.89(9) . . ?
C38B Sc2B C29B 120.73(12) . . ?
C62B Sc2B C29B 105.96(12) . . ?
N1B Sc2B C31B 104.5(6) . . ?
C34B Sc2B C31B 71.67(9) . . ?
C33B Sc2B C31B 60.25(9) . . ?
C37B Sc2B C31B 91.20(13) . . ?
C35B Sc2B C31B 108.04(14) . . ?
C36B Sc2B C31B 120.85(12) . . ?
C32B Sc2B C31B 32.74(6) . . ?
C38B Sc2B C31B 88.25(16) . . ?
C62B Sc2B C31B 57.38(10) . . ?
C29B Sc2B C31B 57.45(8) . . ?
N1B Sc2B C41B 104.1(6) . . ?
C34B Sc2B C41B 91.06(13) . . ?
C33B Sc2B C41B 91.06(11) . . ?
C37B Sc2B C41B 58.81(8) . . ?
C35B Sc2B C41B 58.27(9) . . ?
C36B Sc2B C41B 32.19(5) . . ?
C32B Sc2B C41B 117.90(16) . . ?
C38B Sc2B C41B 67.85(10) . . ?
C62B Sc2B C41B 101.35(17) . . ?
C29B Sc2B C41B 119.0(2) . . ?
C31B Sc2B C41B 150.00(15) . . ?
N1B Sc3B C19B 143.6(6) . . ?
N1B Sc3B C23B 173.5(6) . . ?
C19B Sc3B C23B 37.13(7) . . ?
N1B Sc3B C24B 138.6(6) . . ?
C19B Sc3B C24B 65.92(11) . . ?
C23B Sc3B C24B 35.80(6) . . ?
N1B Sc3B C18B 113.1(6) . . ?
C19B Sc3B C18B 36.81(9) . . ?
C23B Sc3B C18B 64.35(13) . . ?
C24B Sc3B C18B 74.61(15) . . ?
N1B Sc3B C20B 125.6(6) . . ?
C19B Sc3B C20B 36.39(7) . . ?
C23B Sc3B C20B 59.32(10) . . ?
C24B Sc3B C20B 94.86(13) . . ?
C18B Sc3B C20B 63.48(12) . . ?
N1B Sc3B C22B 150.5(6) . . ?
C19B Sc3B C22B 59.31(10) . . ?
C23B Sc3B C22B 34.53(7) . . ?
C24B Sc3B C22B 57.10(8) . . ?
C18B Sc3B C22B 94.53(13) . . ?
C20B Sc3B C22B 57.11(10) . . ?
N1B Sc3B C21B 128.7(5) . . ?
C19B Sc3B C21B 59.39(11) . . ?
C23B Sc3B C21B 57.81(10) . . ?
C24B Sc3B C21B 89.03(13) . . ?
C18B Sc3B C21B 94.32(14) . . ?
C20B Sc3B C21B 34.44(7) . . ?
C22B Sc3B C21B 33.64(7) . . ?
N1B Sc3B C25B 120.6(6) . . ?
C19B Sc3B C25B 93.45(12) . . ?
C23B Sc3B C25B 56.80(8) . . ?
C24B Sc3B C25B 33.40(6) . . ?
C18B Sc3B C25B 108.00(16) . . ?
C20B Sc3B C25B 110.32(15) . . ?
C22B Sc3B C25B 55.05(9) . . ?
C21B Sc3B C25B 87.15(15) . . ?
N1B Sc3B C66B 113.3(5) . . ?
C19B Sc3B C66B 72.99(15) . . ?
C23B Sc3B C66B 60.25(11) . . ?
C24B Sc3B C66B 33.17(7) . . ?
C18B Sc3B C66B 59.62(14) . . ?
C20B Sc3B C66B 109.22(17) . . ?
C22B Sc3B C66B 89.19(11) . . ?
C21B Sc3B C66B 118.03(13) . . ?
C25B Sc3B C66B 57.21(8) . . ?
N1B Sc3B C26B 126.1(6) . . ?
C19B Sc3B C26B 89.30(13) . . ?
C23B Sc3B C26B 55.57(10) . . ?
C24B Sc3B C26B 54.70(9) . . ?
C18B Sc3B C26B 119.73(14) . . ?
C20B Sc3B C26B 88.61(16) . . ?
C22B Sc3B C26B 32.66(7) . . ?
C21B Sc3B C26B 58.33(13) . . ?
C25B Sc3B C26B 31.96(6) . . ?
C66B Sc3B C26B 85.82(10) . . ?
N1B Sc3B C67B 104.6(5) . . ?
C19B Sc3B C67B 61.12(15) . . ?
C23B Sc3B C67B 69.89(14) . . ?
C24B Sc3B C67B 58.77(13) . . ?
C18B Sc3B C67B 32.82(9) . . ?
C20B Sc3B C67B 94.48(18) . . ?
C22B Sc3B C67B 104.35(14) . . ?
C21B Sc3B C67B 119.80(16) . . ?
C25B Sc3B C67B 87.92(14) . . ?
C66B Sc3B C67B 31.28(8) . . ?
C26B Sc3B C67B 113.41(13) . . ?
Sc2B N1B Sc1B 105.8(10) . . ?
Sc2B N1B Sc3B 103.5(9) . . ?
Sc1B N1B Sc3B 150.7(12) . . ?
C5B C1B C8B 108.28(8) . . ?
C5B C1B C2B 107.80(8) . . ?
C8B C1B C2B 119.86(9) . . ?
C5B C1B Sc1B 71.5(2) . . ?
C8B C1B Sc1B 72.54(15) . . ?
C2B C1B Sc1B 75.54(17) . . ?
C57B C2B C1B 118.88(8) . . ?
C57B C2B C3B 119.36(8) . . ?
C1B C2B C3B 108.79(8) . . ?
C57B C2B Sc1B 88.09(18) . . ?
C1B C2B Sc1B 70.33(13) . . ?
C3B C2B Sc1B 74.38(18) . . ?
C4B C3B C2B 106.81(8) . . ?
C4B C3B C40B 120.71(8) . . ?
C2B C3B C40B 120.90(8) . . ?
C4B C3B Sc1B 70.03(19) . . ?
C2B C3B Sc1B 72.1(2) . . ?
C40B C3B Sc1B 92.17(13) . . ?
C43B C4B C3B 119.47(8) . . ?
C43B C4B C5B 118.83(8) . . ?
C3B C4B C5B 108.83(8) . . ?
C43B C4B Sc1B 86.1(2) . . ?
C3B C4B Sc1B 76.2(2) . . ?
C5B C4B Sc1B 70.79(14) . . ?
C1B C5B C6B 108.10(8) . . ?
C1B C5B C4B 107.76(8) . . ?
C6B C5B C4B 119.57(9) . . ?
C1B C5B Sc1B 73.8(2) . . ?
C6B C5B Sc1B 71.08(18) . . ?
C4B C5B Sc1B 74.44(16) . . ?
C5B C6B C7B 107.81(8) . . ?
C5B C6B C56B 119.59(8) . . ?
C7B C6B C56B 120.11(9) . . ?
C5B C6B Sc1B 73.58(15) . . ?
C7B C6B Sc1B 75.82(19) . . ?
C56B C6B Sc1B 84.3(2) . . ?
C8B C7B C6B 107.79(8) . . ?
C8B C7B C12B 120.74(9) . . ?
C6B C7B C12B 120.34(9) . . ?
C8B C7B Sc1B 71.7(2) . . ?
C6B C7B Sc1B 69.19(18) . . ?
C12B C7B Sc1B 94.20(14) . . ?
C1B C8B C7B 107.71(8) . . ?
C1B C8B C9B 119.42(8) . . ?
C7B C8B C9B 119.69(8) . . ?
C1B C8B Sc1B 72.78(12) . . ?
C7B C8B Sc1B 73.7(2) . . ?
C9B C8B Sc1B 85.98(18) . . ?
C10B C9B C8B 117.43(9) . . ?
C10B C9B C58B 118.27(8) . . ?
C8B C9B C58B 118.31(8) . . ?
C10B C9B Sc1B 99.13(13) . . ?
C8B C9B Sc1B 61.84(11) . . ?
C58B C9B Sc1B 85.19(16) . . ?
C70B C10B C11B 108.05(8) . . ?
C70B C10B C9B 120.68(9) . . ?
C11B C10B C9B 121.41(10) . . ?
C10B C11B C16B 107.81(9) . . ?
C10B C11B C12B 120.13(11) . . ?
C16B C11B C12B 120.67(9) . . ?
C7B C12B C11B 117.82(10) . . ?
C7B C12B C13B 118.07(10) . . ?
C11B C12B C13B 118.67(9) . . ?
C55B C13B C14B 107.90(10) . . ?
C55B C13B C12B 120.08(11) . . ?
C14B C13B C12B 120.68(9) . . ?
C13B C14B C52B 107.47(10) . . ?
C13B C14B C15B 120.57(9) . . ?
C52B C14B C15B 120.48(11) . . ?
C16B C15B C14B 118.65(9) . . ?
C16B C15B C20B 117.97(9) . . ?
C14B C15B C20B 117.80(9) . . ?
C16B C15B Sc3B 90.34(15) . . ?
C14B C15B Sc3B 100.00(14) . . ?
C20B C15B Sc3B 56.44(10) . . ?
C11B C16B C17B 107.78(9) . . ?
C11B C16B C15B 120.75(9) . . ?
C17B C16B C15B 120.31(10) . . ?
C70B C17B C16B 107.99(9) . . ?
C70B C17B C18B 120.66(9) . . ?
C16B C17B C18B 121.15(10) . . ?
C17B C18B C67B 118.44(9) . . ?
C17B C18B C19B 117.75(8) . . ?
C67B C18B C19B 118.88(8) . . ?
C17B C18B Sc3B 99.54(12) . . ?
C67B C18B Sc3B 84.25(13) . . ?
C19B C18B Sc3B 64.66(13) . . ?
C23B C19B C20B 107.52(8) . . ?
C23B C19B C18B 119.34(8) . . ?
C20B C19B C18B 119.79(10) . . ?
C23B C19B Sc3B 75.64(12) . . ?
C20B C19B Sc3B 78.83(16) . . ?
C18B C19B Sc3B 78.53(19) . . ?
C19B C20B C21B 107.78(8) . . ?
C19B C20B C15B 120.07(10) . . ?
C21B C20B C15B 120.15(10) . . ?
C19B C20B Sc3B 64.77(15) . . ?
C21B C20B Sc3B 76.44(17) . . ?
C15B C20B Sc3B 92.69(12) . . ?
C22B C21B C20B 107.84(8) . . ?
C22B C21B C53B 118.97(9) . . ?
C20B C21B C53B 120.10(10) . . ?
C22B C21B Sc3B 73.14(10) . . ?
C20B C21B Sc3B 69.11(14) . . ?
C53B C21B Sc3B 90.18(15) . . ?
C23B C22B C21B 108.10(8) . . ?
C23B C22B C26B 107.69(8) . . ?
C21B C22B C26B 120.12(10) . . ?
C23B C22B Sc3B 66.21(16) . . ?
C21B C22B Sc3B 73.22(12) . . ?
C26B C22B Sc3B 79.55(12) . . ?
C22B C23B C19B 108.40(8) . . ?
C22B C23B C24B 107.86(9) . . ?
C19B C23B C24B 119.76(9) . . ?
C22B C23B Sc3B 79.25(19) . . ?
C19B C23B Sc3B 67.24(14) . . ?
C24B C23B Sc3B 74.42(13) . . ?
C25B C24B C66B 119.36(9) . . ?
C25B C24B C23B 108.66(8) . . ?
C66B C24B C23B 118.95(8) . . ?
C25B C24B Sc3B 81.14(15) . . ?
C66B C24B Sc3B 82.26(17) . . ?
C23B C24B Sc3B 69.78(12) . . ?
C24B C25B C26B 107.29(7) . . ?
C24B C25B C30B 121.29(8) . . ?
C26B C25B C30B 121.10(8) . . ?
C24B C25B Sc3B 65.46(14) . . ?
C26B C25B Sc3B 76.27(15) . . ?
C30B C25B Sc3B 94.53(11) . . ?
C27B C26B C25B 119.16(9) . . ?
C27B C26B C22B 118.85(8) . . ?
C25B C26B C22B 108.50(8) . . ?
C27B C26B Sc3B 92.35(14) . . ?
C25B C26B Sc3B 71.77(13) . . ?
C22B C26B Sc3B 67.79(10) . . ?
C54B C27B C28B 108.67(9) . . ?
C54B C27B C26B 120.84(10) . . ?
C28B C27B C26B 120.66(9) . . ?
C27B C28B C48B 107.36(9) . . ?
C27B C28B C29B 120.73(9) . . ?
C48B C28B C29B 121.18(9) . . ?
C28B C29B C30B 118.47(9) . . ?
C28B C29B C34B 116.89(7) . . ?
C30B C29B C34B 119.33(7) . . ?
C28B C29B Sc2B 102.71(14) . . ?
C30B C29B Sc2B 85.22(12) . . ?
C34B C29B Sc2B 60.11(9) . . ?
C25B C30B C29B 118.15(8) . . ?
C25B C30B C31B 117.93(8) . . ?
C29B C30B C31B 119.06(7) . . ?
C25B C30B Sc2B 121.44(10) . . ?
C29B C30B Sc2B 64.21(13) . . ?
C31B C30B Sc2B 67.71(14) . . ?
C65B C31B C32B 116.85(8) . . ?
C65B C31B C30B 118.58(9) . . ?
C32B C31B C30B 119.41(7) . . ?
C65B C31B Sc2B 105.88(12) . . ?
C32B C31B Sc2B 61.35(11) . . ?
C30B C31B Sc2B 81.63(15) . . ?
C62B C32B C33B 107.40(7) . . ?
C62B C32B C31B 119.68(9) . . ?
C33B C32B C31B 119.86(8) . . ?
C62B C32B Sc2B 78.73(17) . . ?
C33B C32B Sc2B 68.11(12) . . ?
C31B C32B Sc2B 85.91(12) . . ?
C37B C33B C34B 108.28(8) . . ?
C37B C33B C32B 108.16(8) . . ?
C34B C33B C32B 120.35(9) . . ?
C37B C33B Sc2B 74.14(13) . . ?
C34B C33B Sc2B 71.14(19) . . ?
C32B C33B Sc2B 75.58(15) . . ?
C35B C34B C33B 107.43(7) . . ?
C35B C34B C29B 119.40(9) . . ?
C33B C34B C29B 119.73(8) . . ?
C35B C34B Sc2B 74.96(12) . . ?
C33B C34B Sc2B 71.68(17) . . ?
C29B C34B Sc2B 85.51(13) . . ?
C36B C35B C34B 108.66(8) . . ?
C36B C35B C47B 120.29(8) . . ?
C34B C35B C47B 120.30(8) . . ?
C36B C35B Sc2B 72.45(14) . . ?
C34B C35B Sc2B 68.67(10) . . ?
C47B C35B Sc2B 94.69(14) . . ?
C35B C36B C37B 107.50(8) . . ?
C35B C36B C41B 119.60(9) . . ?
C37B C36B C41B 119.80(8) . . ?
C35B C36B Sc2B 71.96(17) . . ?
C37B C36B Sc2B 71.14(15) . . ?
C41B C36B Sc2B 89.27(11) . . ?
C33B C37B C38B 108.13(8) . . ?
C33B C37B C36B 108.04(8) . . ?
C38B C37B C36B 120.00(10) . . ?
C33B C37B Sc2B 69.55(11) . . ?
C38B C37B Sc2B 77.22(18) . . ?
C36B C37B Sc2B 72.79(15) . . ?
C62B C38B C37B 107.57(8) . . ?
C62B C38B C39B 119.63(9) . . ?
C37B C38B C39B 119.98(8) . . ?
C62B C38B Sc2B 75.69(11) . . ?
C37B C38B Sc2B 67.71(13) . . ?
C39B C38B Sc2B 89.44(10) . . ?
C61B C39B C38B 116.95(8) . . ?
C61B C39B C40B 118.44(8) . . ?
C38B C39B C40B 119.35(8) . . ?
C61B C39B Sc2B 105.11(12) . . ?
C38B C39B Sc2B 59.57(9) . . ?
C40B C39B Sc2B 83.77(12) . . ?
C3B C40B C41B 118.33(8) . . ?
C3B C40B C39B 118.14(8) . . ?
C41B C40B C39B 119.00(9) . . ?
C42B C41B C36B 116.76(8) . . ?
C42B C41B C40B 118.46(8) . . ?
C36B C41B C40B 119.52(8) . . ?
C42B C41B Sc2B 102.22(15) . . ?
C36B C41B Sc2B 58.53(9) . . ?
C40B C41B Sc2B 87.29(15) . . ?
C43B C42B C46B 107.39(9) . . ?
C43B C42B C41B 120.74(9) . . ?
C46B C42B C41B 120.99(9) . . ?
C42B C43B C44B 108.85(8) . . ?
C42B C43B C4B 120.55(8) . . ?
C44B C43B C4B 121.03(8) . . ?
C42B C43B Sc1B 98.36(12) . . ?
C44B C43B Sc1B 81.24(17) . . ?
C4B C43B Sc1B 62.53(16) . . ?
C43B C44B C45B 107.51(8) . . ?
C43B C44B C56B 119.76(7) . . ?
C45B C44B C56B 121.43(9) . . ?
C43B C44B Sc1B 69.71(12) . . ?
C45B C44B Sc1B 105.35(13) . . ?
C56B C44B Sc1B 65.44(12) . . ?
C44B C45B C46B 108.00(9) . . ?
C44B C45B C50B 120.69(11) . . ?
C46B C45B C50B 120.49(9) . . ?
C42B C46B C45B 107.92(9) . . ?
C42B C46B C47B 120.31(9) . . ?
C45B C46B C47B 120.66(9) . . ?
C46B C47B C35B 118.66(7) . . ?
C46B C47B C48B 118.16(8) . . ?
C35B C47B C48B 118.69(8) . . ?
C46B C47B Sc2B 98.73(10) . . ?
C35B C47B Sc2B 54.90(9) . . ?
C48B C47B Sc2B 95.69(11) . . ?
C28B C48B C49B 107.72(9) . . ?
C28B C48B C47B 120.12(9) . . ?
C49B C48B C47B 120.34(9) . . ?
C54B C49B C48B 108.21(9) . . ?
C54B C49B C50B 120.46(10) . . ?
C48B C49B C50B 120.73(10) . . ?
C49B C50B C45B 118.28(9) . . ?
C49B C50B C51B 118.33(10) . . ?
C45B C50B C51B 118.06(10) . . ?
C52B C51B C55B 108.33(11) . . ?
C52B C51B C50B 120.80(10) . . ?
C55B C51B C50B 120.73(11) . . ?
C51B C52B C14B 108.14(10) . . ?
C51B C52B C53B 120.88(11) . . ?
C14B C52B C53B 121.08(10) . . ?
C54B C53B C21B 118.53(9) . . ?
C54B C53B C52B 117.57(10) . . ?
C21B C53B C52B 117.64(9) . . ?
C54B C53B Sc3B 88.46(12) . . ?
C21B C53B Sc3B 59.45(10) . . ?
C52B C53B Sc3B 97.78(11) . . ?
C49B C54B C27B 107.61(10) . . ?
C49B C54B C53B 121.70(10) . . ?
C27B C54B C53B 120.55(10) . . ?
C51B C55B C13B 107.99(10) . . ?
C51B C55B C56B 121.17(11) . . ?
C13B C55B C56B 121.14(10) . . ?
C6B C56B C44B 118.78(8) . . ?
C6B C56B C55B 117.61(9) . . ?
C44B C56B C55B 117.57(9) . . ?
C6B C56B Sc1B 62.66(15) . . ?
C44B C56B Sc1B 84.35(15) . . ?
C55B C56B Sc1B 99.31(12) . . ?
C58B C57B C61B 108.66(8) . . ?
C58B C57B C2B 120.89(8) . . ?
C61B C57B C2B 120.50(8) . . ?
C58B C57B Sc1B 82.30(14) . . ?
C61B C57B Sc1B 97.80(12) . . ?
C2B C57B Sc1B 61.49(10) . . ?
C57B C58B C59B 107.43(8) . . ?
C57B C58B C9B 120.32(9) . . ?
C59B C58B C9B 121.00(9) . . ?
C58B C59B C60B 108.20(9) . . ?
C58B C59B C69B 120.64(10) . . ?
C60B C59B C69B 120.70(9) . . ?
C61B C60B C59B 107.96(9) . . ?
C61B C60B C63B 120.21(10) . . ?
C59B C60B C63B 120.57(10) . . ?
C60B C61B C57B 107.34(9) . . ?
C60B C61B C39B 121.22(9) . . ?
C57B C61B C39B 121.02(9) . . ?
C38B C62B C32B 108.59(7) . . ?
C38B C62B C63B 120.17(9) . . ?
C32B C62B C63B 120.14(9) . . ?
C38B C62B Sc2B 70.77(9) . . ?
C32B C62B Sc2B 67.20(11) . . ?
C63B C62B Sc2B 97.32(12) . . ?
C64B C63B C62B 118.82(9) . . ?
C64B C63B C60B 118.14(9) . . ?
C62B C63B C60B 118.52(8) . . ?
C65B C64B C68B 107.94(9) . . ?
C65B C64B C63B 120.09(10) . . ?
C68B C64B C63B 120.65(9) . . ?
C66B C65B C64B 107.44(8) . . ?
C66B C65B C31B 120.93(9) . . ?
C64B C65B C31B 120.95(9) . . ?
C65B C66B C67B 108.72(8) . . ?
C65B C66B C24B 120.39(8) . . ?
C67B C66B C24B 120.72(8) . . ?
C65B C66B Sc3B 99.86(11) . . ?
C67B C66B Sc3B 76.78(13) . . ?
C24B C66B Sc3B 64.57(12) . . ?
C68B C67B C66B 107.53(8) . . ?
C68B C67B C18B 120.82(8) . . ?
C66B C67B C18B 119.88(8) . . ?
C68B C67B Sc3B 105.39(12) . . ?
C66B C67B Sc3B 71.94(10) . . ?
C18B C67B Sc3B 62.93(10) . . ?
C67B C68B C64B 108.00(9) . . ?
C67B C68B C69B 120.44(9) . . ?
C64B C68B C69B 120.52(9) . . ?
C68B C69B C59B 118.04(9) . . ?
C68B C69B C70B 118.49(9) . . ?
C59B C69B C70B 118.33(9) . . ?
C17B C70B C10B 108.20(9) . . ?
C17B C70B C69B 120.71(9) . . ?
C10B C70B C69B 120.75(10) . . ?
C2S C1S C3S 119.0(6) . . ?
C2S C1S H1S 120.5 . . ?
C3S C1S H1S 120.5 . . ?
C1S C2S C3S 121.2(6) . 3_756 ?
C1S C2S H2S 119.4 . . ?
C3S C2S H2S 119.4 3_756 . ?
C2S C3S C1S 119.8(6) 3_756 . ?
C2S C3S H3S 120.1 3_756 . ?
C1S C3S H3S 120.1 . . ?
C9S C4S C5S 119.6(4) . . ?
C9S C4S C10S 121.7(4) . . ?
C5S C4S C10S 118.7(4) . . ?
C4S C5S C6S 119.9(4) . . ?
C4S C5S H5S 120.1 . . ?
C6S C5S H5S 120.1 . . ?
C7S C6S C5S 119.5(4) . . ?
C7S C6S H6S 120.2 . . ?
C5S C6S H6S 120.2 . . ?
C6S C7S C8S 120.6(5) . . ?
C6S C7S H7S 119.7 . . ?
C8S C7S H7S 119.7 . . ?
C7S C8S C9S 119.4(4) . . ?
C7S C8S H8S 120.3 . . ?
C9S C8S H8S 120.3 . . ?
C4S C9S C8S 120.9(3) . . ?
C4S C9S H9S 119.5 . . ?
C8S C9S H9S 119.5 . . ?
C4S C10S H10A 109.5 . . ?
C4S C10S H10B 109.5 . . ?
H10A C10S H10B 109.5 . . ?
C4S C10S H10C 109.5 . . ?
H10A C10S H10C 109.5 . . ?
H10B C10S H10C 109.5 . . ?
N2P Ni1P N4P 177.09(5) . . ?
N2P Ni1P N1P 90.13(5) . . ?
N4P Ni1P N1P 89.78(5) . . ?
N2P Ni1P N3P 90.03(5) . . ?
N4P Ni1P N3P 89.98(5) . . ?
N1P Ni1P N3P 178.35(6) . . ?
C4P N1P C1P 103.76(11) . . ?
C4P N1P Ni1P 127.88(10) . . ?
C1P N1P Ni1P 128.30(8) . . ?
C6P N2P C9P 104.33(11) . . ?
C6P N2P Ni1P 127.67(10) . . ?
C9P N2P Ni1P 127.96(9) . . ?
C14P N3P C11P 104.10(11) . . ?
C14P N3P Ni1P 127.67(10) . . ?
C11P N3P Ni1P 128.22(9) . . ?
C19P N4P C16P 103.94(11) . . ?
C19P N4P Ni1P 127.98(8) . . ?
C16P N4P Ni1P 128.06(10) . . ?
C20P C1P N1P 124.64(12) . . ?
C20P C1P C2P 123.36(14) . . ?
N1P C1P C2P 111.96(11) . . ?
C3P C2P C1P 106.27(12) . . ?
C3P C2P C21P 129.05(14) . . ?
C1P C2P C21P 124.60(14) . . ?
C2P C3P C4P 106.70(11) . . ?
C2P C3P C23P 128.66(15) . . ?
C4P C3P C23P 124.55(14) . . ?
C5P C4P N1P 124.78(13) . . ?
C5P C4P C3P 123.89(12) . . ?
N1P C4P C3P 111.31(12) . . ?
C4P C5P C6P 124.17(14) . . ?
C4P C5P H5P 117.9 . . ?
C6P C5P H5P 117.9 . . ?
N2P C6P C5P 125.32(13) . . ?
N2P C6P C7P 111.53(12) . . ?
C5P C6P C7P 123.13(12) . . ?
C8P C7P C6P 106.34(11) . . ?
C8P C7P C25P 129.03(16) . . ?
C6P C7P C25P 124.54(15) . . ?
C7P C8P C9P 106.61(12) . . ?
C7P C8P C27P 128.06(15) . . ?
C9P C8P C27P 125.17(15) . . ?
C10P C9P N2P 124.59(12) . . ?
C10P C9P C8P 124.23(14) . . ?
N2P C9P C8P 111.17(11) . . ?
C11P C10P C9P 124.72(15) . . ?
C11P C10P H10P 117.6 . . ?
C9P C10P H10P 117.6 . . ?
C10P C11P N3P 124.42(12) . . ?
C10P C11P C12P 124.28(14) . . ?
N3P C11P C12P 111.27(11) . . ?
C13P C12P C11P 106.74(12) . . ?
C13P C12P C29P 127.35(14) . . ?
C11P C12P C29P 125.84(15) . . ?
C12P C13P C14P 106.12(11) . . ?
C12P C13P C31P 129.22(15) . . ?
C14P C13P C31P 124.62(14) . . ?
C15P C14P N3P 125.42(13) . . ?
C15P C14P C13P 122.80(12) . . ?
N3P C14P C13P 111.77(12) . . ?
C14P C15P C16P 124.10(14) . . ?
C14P C15P H15P 117.9 . . ?
C16P C15P H15P 117.9 . . ?
C15P C16P N4P 124.73(13) . . ?
C15P C16P C17P 123.63(12) . . ?
N4P C16P C17P 111.64(12) . . ?
C18P C17P C16P 105.99(11) . . ?
C18P C17P C33P 129.02(15) . . ?
C16P C17P C33P 124.95(14) . . ?
C17P C18P C19P 106.77(12) . . ?
C17P C18P C35P 129.24(14) . . ?
C19P C18P C35P 123.87(14) . . ?
C20P C19P N4P 125.08(12) . . ?
C20P C19P C18P 123.25(14) . . ?
N4P C19P C18P 111.67(11) . . ?
C1P C20P C19P 124.20(15) . . ?
C1P C20P H20P 117.9 . . ?
C19P C20P H20P 117.9 . . ?
C2P C21P C22P 112.30(14) . . ?
C2P C21P H21A 109.1 . . ?
C22P C21P H21A 109.1 . . ?
C2P C21P H21B 109.1 . . ?
C22P C21P H21B 109.1 . . ?
H21A C21P H21B 107.9 . . ?
C21P C22P H22A 109.5 . . ?
C21P C22P H22B 109.5 . . ?
H22A C22P H22B 109.5 . . ?
C21P C22P H22C 109.5 . . ?
H22A C22P H22C 109.5 . . ?
H22B C22P H22C 109.5 . . ?
C3P C23P C24P 112.25(15) . . ?
C3P C23P H23A 109.2 . . ?
C24P C23P H23A 109.2 . . ?
C3P C23P H23B 109.2 . . ?
C24P C23P H23B 109.2 . . ?
H23A C23P H23B 107.9 . . ?
C23P C24P H24A 109.5 . . ?
C23P C24P H24B 109.5 . . ?
H24A C24P H24B 109.5 . . ?
C23P C24P H24C 109.5 . . ?
H24A C24P H24C 109.5 . . ?
H24B C24P H24C 109.5 . . ?
C7P C25P C26P 112.39(16) . . ?
C7P C25P H25A 109.1 . . ?
C26P C25P H25A 109.1 . . ?
C7P C25P H25B 109.1 . . ?
C26P C25P H25B 109.1 . . ?
H25A C25P H25B 107.9 . . ?
C25P C26P H26A 109.5 . . ?
C25P C26P H26B 109.5 . . ?
H26A C26P H26B 109.5 . . ?
C25P C26P H26C 109.5 . . ?
H26A C26P H26C 109.5 . . ?
H26B C26P H26C 109.5 . . ?
C8P C27P C28P 112.15(18) . . ?
C8P C27P H27A 109.2 . . ?
C28P C27P H27A 109.2 . . ?
C8P C27P H27B 109.2 . . ?
C28P C27P H27B 109.2 . . ?
H27A C27P H27B 107.9 . . ?
C27P C28P H28A 109.5 . . ?
C27P C28P H28B 109.5 . . ?
H28A C28P H28B 109.5 . . ?
C27P C28P H28C 109.5 . . ?
H28A C28P H28C 109.5 . . ?
H28B C28P H28C 109.5 . . ?
C12P C29P C30P 113.27(17) . . ?
C12P C29P H29A 108.9 . . ?
C30P C29P H29A 108.9 . . ?
C12P C29P H29B 108.9 . . ?
C30P C29P H29B 108.9 . . ?
H29A C29P H29B 107.7 . . ?
C29P C30P H30A 109.5 . . ?
C29P C30P H30B 109.5 . . ?
H30A C30P H30B 109.5 . . ?
C29P C30P H30C 109.5 . . ?
H30A C30P H30C 109.5 . . ?
H30B C30P H30C 109.5 . . ?
C13P C31P C32P 113.46(15) . . ?
C13P C31P H31A 108.9 . . ?
C32P C31P H31A 108.9 . . ?
C13P C31P H31B 108.9 . . ?
C32P C31P H31B 108.9 . . ?
H31A C31P H31B 107.7 . . ?
C31P C32P H32A 109.5 . . ?
C31P C32P H32B 109.5 . . ?
H32A C32P H32B 109.5 . . ?
C31P C32P H32C 109.5 . . ?
H32A C32P H32C 109.5 . . ?
H32B C32P H32C 109.5 . . ?
C17P C33P C34P 112.70(15) . . ?
C17P C33P H33A 109.1 . . ?
C34P C33P H33A 109.1 . . ?
C17P C33P H33B 109.1 . . ?
C34P C33P H33B 109.1 . . ?
H33A C33P H33B 107.8 . . ?
C33P C34P H34A 109.5 . . ?
C33P C34P H34B 109.5 . . ?
H34A C34P H34B 109.5 . . ?
C33P C34P H34C 109.5 . . ?
H34A C34P H34C 109.5 . . ?
H34B C34P H34C 109.5 . . ?
C18P C35P C36P 111.86(14) . . ?
C18P C35P H35A 109.2 . . ?
C36P C35P H35A 109.2 . . ?
C18P C35P H35B 109.2 . . ?
C36P C35P H35B 109.2 . . ?
H35A C35P H35B 107.9 . . ?
C35P C36P H36A 109.5 . . ?
C35P C36P H36B 109.5 . . ?
H36A C36P H36B 109.5 . . ?
C35P C36P H36C 109.5 . . ?
H36A C36P H36C 109.5 . . ?
H36B C36P H36C 109.5 . . ?
N2Q Ni1Q N4Q 177.33(10) . . ?
N2Q Ni1Q N1Q 90.13(5) . . ?
N4Q Ni1Q N1Q 89.77(5) . . ?
N2Q Ni1Q N3Q 90.03(5) . . ?
N4Q Ni1Q N3Q 89.98(5) . . ?
N1Q Ni1Q N3Q 178.12(9) . . ?
C4Q N1Q C1Q 103.76(11) . . ?
C4Q N1Q Ni1Q 127.88(10) . . ?
C1Q N1Q Ni1Q 128.29(8) . . ?
C6Q N2Q C9Q 104.33(11) . . ?
C6Q N2Q Ni1Q 127.67(10) . . ?
C9Q N2Q Ni1Q 127.98(9) . . ?
C14Q N3Q C11Q 104.09(11) . . ?
C14Q N3Q Ni1Q 127.66(10) . . ?
C11Q N3Q Ni1Q 128.21(9) . . ?
C19Q N4Q C16Q 103.94(11) . . ?
C19Q N4Q Ni1Q 127.99(8) . . ?
C16Q N4Q Ni1Q 128.07(10) . . ?
C20Q C1Q N1Q 124.64(12) . . ?
C20Q C1Q C2Q 123.36(14) . . ?
N1Q C1Q C2Q 111.96(11) . . ?
C3Q C2Q C1Q 106.26(12) . . ?
C3Q C2Q C21Q 129.05(14) . . ?
C1Q C2Q C21Q 124.60(14) . . ?
C2Q C3Q C4Q 106.70(11) . . ?
C2Q C3Q C23Q 128.66(15) . . ?
C4Q C3Q C23Q 124.55(14) . . ?
C5Q C4Q N1Q 124.79(13) . . ?
C5Q C4Q C3Q 123.89(12) . . ?
N1Q C4Q C3Q 111.31(12) . . ?
C4Q C5Q C6Q 124.18(14) . . ?
C4Q C5Q H5Q 117.9 . . ?
C6Q C5Q H5Q 117.9 . . ?
N2Q C6Q C5Q 125.32(13) . . ?
N2Q C6Q C7Q 111.52(12) . . ?
C5Q C6Q C7Q 123.13(12) . . ?
C8Q C7Q C6Q 106.34(11) . . ?
C8Q C7Q C25Q 129.03(16) . . ?
C6Q C7Q C25Q 124.55(15) . . ?
C7Q C8Q C9Q 106.62(13) . . ?
C7Q C8Q C27Q 128.06(15) . . ?
C9Q C8Q C27Q 125.17(15) . . ?
C10Q C9Q N2Q 124.59(12) . . ?
C10Q C9Q C8Q 124.23(14) . . ?
N2Q C9Q C8Q 111.17(11) . . ?
C11Q C10Q C9Q 124.72(15) . . ?
C11Q C10Q H10Q 117.6 . . ?
C9Q C10Q H10Q 117.6 . . ?
C10Q C11Q N3Q 124.42(12) . . ?
C10Q C11Q C12Q 124.28(13) . . ?
N3Q C11Q C12Q 111.26(11) . . ?
C13Q C12Q C11Q 106.73(12) . . ?
C13Q C12Q C29Q 127.35(15) . . ?
C11Q C12Q C29Q 125.84(15) . . ?
C12Q C13Q C14Q 106.11(11) . . ?
C12Q C13Q C31Q 129.22(15) . . ?
C14Q C13Q C31Q 124.62(14) . . ?
C15Q C14Q N3Q 125.41(13) . . ?
C15Q C14Q C13Q 122.79(12) . . ?
N3Q C14Q C13Q 111.77(12) . . ?
C14Q C15Q C16Q 124.10(14) . . ?
C14Q C15Q H15Q 118.0 . . ?
C16Q C15Q H15Q 118.0 . . ?
C15Q C16Q N4Q 124.73(13) . . ?
C15Q C16Q C17Q 123.62(12) . . ?
N4Q C16Q C17Q 111.63(12) . . ?
C18Q C17Q C16Q 105.98(11) . . ?
C18Q C17Q C33Q 129.02(15) . . ?
C16Q C17Q C33Q 124.95(14) . . ?
C17Q C18Q C19Q 106.77(12) . . ?
C17Q C18Q C35Q 129.25(14) . . ?
C19Q C18Q C35Q 123.87(14) . . ?
C20Q C19Q N4Q 125.08(12) . . ?
C20Q C19Q C18Q 123.24(14) . . ?
N4Q C19Q C18Q 111.67(11) . . ?
C1Q C20Q C19Q 124.20(15) . . ?
C1Q C20Q H20Q 117.9 . . ?
C19Q C20Q H20Q 117.9 . . ?
C2Q C21Q C22Q 112.30(14) . . ?
C2Q C21Q H21C 109.1 . . ?
C22Q C21Q H21C 109.1 . . ?
C2Q C21Q H21D 109.1 . . ?
C22Q C21Q H21D 109.1 . . ?
H21C C21Q H21D 107.9 . . ?
C21Q C22Q H22D 109.5 . . ?
C21Q C22Q H22E 109.5 . . ?
H22D C22Q H22E 109.5 . . ?
C21Q C22Q H22F 109.5 . . ?
H22D C22Q H22F 109.5 . . ?
H22E C22Q H22F 109.5 . . ?
C3Q C23Q C24Q 112.25(15) . . ?
C3Q C23Q H23C 109.2 . . ?
C24Q C23Q H23C 109.2 . . ?
C3Q C23Q H23D 109.2 . . ?
C24Q C23Q H23D 109.2 . . ?
H23C C23Q H23D 107.9 . . ?
C23Q C24Q H24D 109.5 . . ?
C23Q C24Q H24E 109.5 . . ?
H24D C24Q H24E 109.5 . . ?
C23Q C24Q H24F 109.5 . . ?
H24D C24Q H24F 109.5 . . ?
H24E C24Q H24F 109.5 . . ?
C7Q C25Q C26Q 112.39(16) . . ?
C7Q C25Q H25C 109.1 . . ?
C26Q C25Q H25C 109.1 . . ?
C7Q C25Q H25D 109.1 . . ?
C26Q C25Q H25D 109.1 . . ?
H25C C25Q H25D 107.9 . . ?
C25Q C26Q H26D 109.5 . . ?
C25Q C26Q H26E 109.5 . . ?
H26D C26Q H26E 109.5 . . ?
C25Q C26Q H26F 109.5 . . ?
H26D C26Q H26F 109.5 . . ?
H26E C26Q H26F 109.5 . . ?
C8Q C27Q C28Q 112.14(18) . . ?
C8Q C27Q H27C 109.2 . . ?
C28Q C27Q H27C 109.2 . . ?
C8Q C27Q H27D 109.2 . . ?
C28Q C27Q H27D 109.2 . . ?
H27C C27Q H27D 107.9 . . ?
C27Q C28Q H28D 109.5 . . ?
C27Q C28Q H28E 109.5 . . ?
H28D C28Q H28E 109.5 . . ?
C27Q C28Q H28F 109.5 . . ?
H28D C28Q H28F 109.5 . . ?
H28E C28Q H28F 109.5 . . ?
C12Q C29Q C30Q 113.27(17) . . ?
C12Q C29Q H29C 108.9 . . ?
C30Q C29Q H29C 108.9 . . ?
C12Q C29Q H29D 108.9 . . ?
C30Q C29Q H29D 108.9 . . ?
H29C C29Q H29D 107.7 . . ?
C29Q C30Q H30D 109.5 . . ?
C29Q C30Q H30E 109.5 . . ?
H30D C30Q H30E 109.5 . . ?
C29Q C30Q H30F 109.5 . . ?
H30D C30Q H30F 109.5 . . ?
H30E C30Q H30F 109.5 . . ?
C13Q C31Q C32Q 113.46(15) . . ?
C13Q C31Q H31C 108.9 . . ?
C32Q C31Q H31C 108.9 . . ?
C13Q C31Q H31D 108.9 . . ?
C32Q C31Q H31D 108.9 . . ?
H31C C31Q H31D 107.7 . . ?
C31Q C32Q H32D 109.5 . . ?
C31Q C32Q H32E 109.5 . . ?
H32D C32Q H32E 109.5 . . ?
C31Q C32Q H32F 109.5 . . ?
H32D C32Q H32F 109.5 . . ?
H32E C32Q H32F 109.5 . . ?
C17Q C33Q C34Q 112.70(15) . . ?
C17Q C33Q H33C 109.1 . . ?
C34Q C33Q H33C 109.0 . . ?
C17Q C33Q H33D 109.1 . . ?
C34Q C33Q H33D 109.1 . . ?
H33C C33Q H33D 107.8 . . ?
C33Q C34Q H34D 109.5 . . ?
C33Q C34Q H34E 109.5 . . ?
H34D C34Q H34E 109.5 . . ?
C33Q C34Q H34F 109.5 . . ?
H34D C34Q H34F 109.5 . . ?
H34E C34Q H34F 109.5 . . ?
C18Q C35Q C36Q 111.86(15) . . ?
C18Q C35Q H35C 109.2 . . ?
C36Q C35Q H35C 109.2 . . ?
C18Q C35Q H35D 109.2 . . ?
C36Q C35Q H35D 109.2 . . ?
H35C C35Q H35D 107.9 . . ?
C35Q C36Q H36D 109.5 . . ?
C35Q C36Q H36E 109.5 . . ?
H36D C36Q H36E 109.5 . . ?
C35Q C36Q H36F 109.5 . . ?
H36D C36Q H36F 109.5 . . ?
H36E C36Q H36F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5A C1A C2A C57A 140.94(10) . . . . ?
C8A C1A C2A C57A 16.59(14) . . . . ?
Sc1A C1A C2A C57A 74.72(9) . . . . ?
C5A C1A C2A C3A -0.24(12) . . . . ?
C8A C1A C2A C3A -124.59(10) . . . . ?
Sc1A C1A C2A C3A -66.46(8) . . . . ?
C5A C1A C2A Sc1A 66.22(7) . . . . ?
C8A C1A C2A Sc1A -58.13(8) . . . . ?
C57A C2A C3A C4A -140.45(10) . . . . ?
C1A C2A C3A C4A 0.52(12) . . . . ?
Sc1A C2A C3A C4A -61.95(8) . . . . ?
C57A C2A C3A C40A 2.94(17) . . . . ?
C1A C2A C3A C40A 143.90(12) . . . . ?
Sc1A C2A C3A C40A 81.44(12) . . . . ?
C57A C2A C3A Sc1A -78.50(10) . . . . ?
C1A C2A C3A Sc1A 62.47(8) . . . . ?
C2A C3A C4A C43A 140.47(10) . . . . ?
C40A C3A C4A C43A -3.00(17) . . . . ?
Sc1A C3A C4A C43A 79.00(10) . . . . ?
C2A C3A C4A C5A -0.60(12) . . . . ?
C40A C3A C4A C5A -144.07(12) . . . . ?
Sc1A C3A C4A C5A -62.07(8) . . . . ?
C2A C3A C4A Sc1A 61.47(8) . . . . ?
C40A C3A C4A Sc1A -82.00(12) . . . . ?
C8A C1A C5A C6A 0.39(11) . . . . ?
C2A C1A C5A C6A -130.67(9) . . . . ?
Sc1A C1A C5A C6A -62.78(7) . . . . ?
C8A C1A C5A C4A 130.92(9) . . . . ?
C2A C1A C5A C4A -0.14(12) . . . . ?
Sc1A C1A C5A C4A 67.75(8) . . . . ?
C8A C1A C5A Sc1A 63.17(7) . . . . ?
C2A C1A C5A Sc1A -67.89(8) . . . . ?
C43A C4A C5A C1A -140.90(10) . . . . ?
C3A C4A C5A C1A 0.46(12) . . . . ?
Sc1A C4A C5A C1A -65.25(8) . . . . ?
C43A C4A C5A C6A -17.06(14) . . . . ?
C3A C4A C5A C6A 124.30(10) . . . . ?
Sc1A C4A C5A C6A 58.59(9) . . . . ?
C43A C4A C5A Sc1A -75.65(9) . . . . ?
C3A C4A C5A Sc1A 65.71(8) . . . . ?
C1A C5A C6A C7A -3.68(11) . . . . ?
C4A C5A C6A C7A -127.35(10) . . . . ?
Sc1A C5A C6A C7A -66.70(7) . . . . ?
C1A C5A C6A C56A 138.35(10) . . . . ?
C4A C5A C6A C56A 14.68(14) . . . . ?
Sc1A C5A C6A C56A 75.33(9) . . . . ?
C1A C5A C6A Sc1A 63.02(7) . . . . ?
C4A C5A C6A Sc1A -60.66(9) . . . . ?
C5A C6A C7A C8A 5.55(11) . . . . ?
C56A C6A C7A C8A -136.24(10) . . . . ?
Sc1A C6A C7A C8A -60.35(7) . . . . ?
C5A C6A C7A C12A 149.65(11) . . . . ?
C56A C6A C7A C12A 7.85(16) . . . . ?
Sc1A C6A C7A C12A 83.75(11) . . . . ?
C5A C6A C7A Sc1A 65.90(8) . . . . ?
C56A C6A C7A Sc1A -75.90(9) . . . . ?
C5A C1A C8A C7A 3.05(11) . . . . ?
C2A C1A C8A C7A 127.17(10) . . . . ?
Sc1A C1A C8A C7A 67.11(7) . . . . ?
C5A C1A C8A C9A -137.93(9) . . . . ?
C2A C1A C8A C9A -13.81(14) . . . . ?
Sc1A C1A C8A C9A -73.87(9) . . . . ?
C5A C1A C8A Sc1A -64.06(7) . . . . ?
C2A C1A C8A Sc1A 60.06(9) . . . . ?
C6A C7A C8A C1A -5.31(11) . . . . ?
C12A C7A C8A C1A -149.23(11) . . . . ?
Sc1A C7A C8A C1A -65.93(7) . . . . ?
C6A C7A C8A C9A 135.56(9) . . . . ?
C12A C7A C8A C9A -8.36(16) . . . . ?
Sc1A C7A C8A C9A 74.94(9) . . . . ?
C6A C7A C8A Sc1A 60.62(7) . . . . ?
C12A C7A C8A Sc1A -83.30(11) . . . . ?
C1A C8A C9A C10A 153.33(10) . . . . ?
C7A C8A C9A C10A 16.99(14) . . . . ?
Sc1A C8A C9A C10A 86.18(10) . . . . ?
C1A C8A C9A C58A 1.00(14) . . . . ?
C7A C8A C9A C58A -135.35(11) . . . . ?
Sc1A C8A C9A C58A -66.16(9) . . . . ?
C1A C8A C9A Sc1A 67.16(8) . . . . ?
C7A C8A C9A Sc1A -69.19(8) . . . . ?
C8A C9A C10A C70A -152.24(12) . . . . ?
C58A C9A C10A C70A 0.11(18) . . . . ?
Sc1A C9A C10A C70A -89.20(12) . . . . ?
C8A C9A C10A C11A -10.57(17) . . . . ?
C58A C9A C10A C11A 141.78(13) . . . . ?
Sc1A C9A C10A C11A 52.47(13) . . . . ?
C70A C10A C11A C16A -2.57(17) . . . . ?
C9A C10A C11A C16A -148.44(13) . . . . ?
C70A C10A C11A C12A 141.14(14) . . . . ?
C9A C10A C11A C12A -4.7(2) . . . . ?
C8A C7A C12A C11A -6.95(19) . . . . ?
C6A C7A C12A C11A -146.43(13) . . . . ?
Sc1A C7A C12A C11A -76.41(14) . . . . ?
C8A C7A C12A C13A 146.70(13) . . . . ?
C6A C7A C12A C13A 7.2(2) . . . . ?
Sc1A C7A C12A C13A 77.25(14) . . . . ?
C10A C11A C12A C7A 13.5(2) . . . . ?
C16A C11A C12A C7A 152.58(14) . . . . ?
C10A C11A C12A C13A -139.99(15) . . . . ?
C16A C11A C12A C13A -0.9(2) . . . . ?
C7A C12A C13A C55A -13.6(2) . . . . ?
C11A C12A C13A C55A 139.81(15) . . . . ?
C7A C12A C13A C14A -152.79(14) . . . . ?
C11A C12A C13A C14A 0.6(2) . . . . ?
C55A C13A C14A C52A -0.02(18) . . . . ?
C12A C13A C14A C52A 143.50(16) . . . . ?
C55A C13A C14A C15A -143.48(14) . . . . ?
C12A C13A C14A C15A 0.0(2) . . . . ?
C13A C14A C15A C16A -0.5(2) . . . . ?
C52A C14A C15A C16A -139.24(14) . . . . ?
C13A C14A C15A C20A 152.68(14) . . . . ?
C52A C14A C15A C20A 13.9(2) . . . . ?
C10A C11A C16A C17A 0.15(18) . . . . ?
C12A C11A C16A C17A -143.33(15) . . . . ?
C10A C11A C16A C15A 143.99(14) . . . . ?
C12A C11A C16A C15A 0.5(2) . . . . ?
C14A C15A C16A C11A 0.2(2) . . . . ?
C20A C15A C16A C11A -152.91(14) . . . . ?
C14A C15A C16A C17A 139.58(14) . . . . ?
C20A C15A C16A C17A -13.51(19) . . . . ?
C11A C16A C17A C70A 2.34(17) . . . . ?
C15A C16A C17A C70A -141.69(13) . . . . ?
C11A C16A C17A C18A 147.71(14) . . . . ?
C15A C16A C17A C18A 3.7(2) . . . . ?
C70A C17A C18A C67A -1.8(2) . . . . ?
C16A C17A C18A C67A -142.91(13) . . . . ?
C70A C17A C18A C19A 153.07(13) . . . . ?
C16A C17A C18A C19A 12.0(2) . . . . ?
C70A C17A C18A Sc3A 89.97(13) . . . . ?
C16A C17A C18A Sc3A -51.10(14) . . . . ?
C17A C18A C19A C23A -153.74(12) . . . . ?
C67A C18A C19A C23A 1.05(18) . . . . ?
Sc3A C18A C19A C23A -67.33(10) . . . . ?
C17A C18A C19A C20A -17.71(18) . . . . ?
C67A C18A C19A C20A 137.08(12) . . . . ?
Sc3A C18A C19A C20A 68.70(11) . . . . ?
C17A C18A C19A Sc3A -86.41(11) . . . . ?
C67A C18A C19A Sc3A 68.38(11) . . . . ?
C23A C19A C20A C21A 5.93(15) . . . . ?
C18A C19A C20A C21A -134.68(12) . . . . ?
Sc3A C19A C20A C21A -59.89(10) . . . . ?
C23A C19A C20A C15A 148.60(12) . . . . ?
C18A C19A C20A C15A 7.99(18) . . . . ?
Sc3A C19A C20A C15A 82.78(12) . . . . ?
C23A C19A C20A Sc3A 65.82(9) . . . . ?
C18A C19A C20A Sc3A -74.79(11) . . . . ?
C16A C15A C20A C19A 7.63(18) . . . . ?
C14A C15A C20A C19A -145.69(13) . . . . ?
C16A C15A C20A C21A 145.74(13) . . . . ?
C14A C15A C20A C21A -7.58(18) . . . . ?
C16A C15A C20A Sc3A 77.16(12) . . . . ?
C14A C15A C20A Sc3A -76.16(11) . . . . ?
C19A C20A C21A C22A -5.86(15) . . . . ?
C15A C20A C21A C22A -148.50(12) . . . . ?
Sc3A C20A C21A C22A -66.26(9) . . . . ?
C19A C20A C21A C53A 134.92(12) . . . . ?
C15A C20A C21A C53A -7.72(18) . . . . ?
Sc3A C20A C21A C53A 74.52(11) . . . . ?
C19A C20A C21A Sc3A 60.40(10) . . . . ?
C15A C20A C21A Sc3A -82.24(11) . . . . ?
C20A C21A C22A C23A 3.54(15) . . . . ?
C53A C21A C22A C23A -137.76(11) . . . . ?
Sc3A C21A C22A C23A -63.82(9) . . . . ?
C20A C21A C22A C26A 127.54(12) . . . . ?
C53A C21A C22A C26A -13.76(16) . . . . ?
Sc3A C21A C22A C26A 60.17(9) . . . . ?
C20A C21A C22A Sc3A 67.36(10) . . . . ?
C53A C21A C22A Sc3A -73.93(11) . . . . ?
C21A C22A C23A C19A 0.14(14) . . . . ?
C26A C22A C23A C19A -131.03(11) . . . . ?
Sc3A C22A C23A C19A -62.63(9) . . . . ?
C21A C22A C23A C24A 131.20(11) . . . . ?
C26A C22A C23A C24A 0.02(12) . . . . ?
Sc3A C22A C23A C24A 68.42(8) . . . . ?
C21A C22A C23A Sc3A 62.77(9) . . . . ?
C26A C22A C23A Sc3A -68.40(8) . . . . ?
C20A C19A C23A C22A -3.77(15) . . . . ?
C18A C19A C23A C22A 137.05(12) . . . . ?
Sc3A C19A C23A C22A 62.90(9) . . . . ?
C20A C19A C23A C24A -127.99(12) . . . . ?
C18A C19A C23A C24A 12.82(17) . . . . ?
Sc3A C19A C23A C24A -61.33(10) . . . . ?
C20A C19A C23A Sc3A -66.67(10) . . . . ?
C18A C19A C23A Sc3A 74.15(11) . . . . ?
C22A C23A C24A C25A -0.27(12) . . . . ?
C19A C23A C24A C25A 124.22(11) . . . . ?
Sc3A C23A C24A C25A 65.27(8) . . . . ?
C22A C23A C24A C66A -141.37(10) . . . . ?
C19A C23A C24A C66A -16.88(16) . . . . ?
Sc3A C23A C24A C66A -75.83(10) . . . . ?
C22A C23A C24A Sc3A -65.54(8) . . . . ?
C19A C23A C24A Sc3A 58.95(10) . . . . ?
C66A C24A C25A C26A 141.33(9) . . . . ?
C23A C24A C25A C26A 0.41(12) . . . . ?
Sc3A C24A C25A C26A 61.79(7) . . . . ?
C66A C24A C25A C30A -4.00(14) . . . . ?
C23A C24A C25A C30A -144.91(10) . . . . ?
Sc3A C24A C25A C30A -83.54(9) . . . . ?
C66A C24A C25A Sc3A 79.54(9) . . . . ?
C23A C24A C25A Sc3A -61.37(8) . . . . ?
C24A C25A C26A C27A -140.68(10) . . . . ?
C30A C25A C26A C27A 4.72(14) . . . . ?
Sc3A C25A C26A C27A -78.45(9) . . . . ?
C24A C25A C26A C22A -0.40(12) . . . . ?
C30A C25A C26A C22A 145.00(10) . . . . ?
Sc3A C25A C26A C22A 61.84(7) . . . . ?
C24A C25A C26A Sc3A -62.24(7) . . . . ?
C30A C25A C26A Sc3A 83.16(9) . . . . ?
C23A C22A C26A C27A 140.66(11) . . . . ?
C21A C22A C26A C27A 16.47(16) . . . . ?
Sc3A C22A C26A C27A 74.33(10) . . . . ?
C23A C22A C26A C25A 0.24(12) . . . . ?
C21A C22A C26A C25A -123.96(11) . . . . ?
Sc3A C22A C26A C25A -66.10(8) . . . . ?
C23A C22A C26A Sc3A 66.33(8) . . . . ?
C21A C22A C26A Sc3A -57.86(9) . . . . ?
C25A C26A C27A C54A 129.43(12) . . . . ?
C22A C26A C27A C54A -6.80(17) . . . . ?
Sc3A C26A C27A C54A 57.49(12) . . . . ?
C25A C26A C27A C28A -12.53(16) . . . . ?
C22A C26A C27A C28A -148.76(11) . . . . ?
Sc3A C26A C27A C28A -84.47(11) . . . . ?
C25A C26A C27A Sc3A 71.94(8) . . . . ?
C22A C26A C27A Sc3A -64.29(9) . . . . ?
C54A C27A C28A C48A 6.75(15) . . . . ?
C26A C27A C28A C48A 152.80(11) . . . . ?
Sc3A C27A C28A C48A 89.87(10) . . . . ?
C54A C27A C28A C29A -138.03(12) . . . . ?
C26A C27A C28A C29A 8.02(17) . . . . ?
Sc3A C27A C28A C29A -54.92(11) . . . . ?
C27A C28A C29A C30A 4.23(16) . . . . ?
C48A C28A C29A C30A -135.73(11) . . . . ?
C27A C28A C29A C34A 158.37(11) . . . . ?
C48A C28A C29A C34A 18.41(17) . . . . ?
C27A C28A C29A Sc2A 95.36(10) . . . . ?
C48A C28A C29A Sc2A -44.59(13) . . . . ?
C24A C25A C30A C29A 147.90(10) . . . . ?
C26A C25A C30A C29A 7.27(14) . . . . ?
Sc3A C25A C30A C29A 77.19(9) . . . . ?
C24A C25A C30A C31A -7.23(14) . . . . ?
C26A C25A C30A C31A -147.86(10) . . . . ?
Sc3A C25A C30A C31A -77.94(9) . . . . ?
C28A C29A C30A C25A -11.61(14) . . . . ?
C34A C29A C30A C25A -165.12(10) . . . . ?
Sc2A C29A C30A C25A -114.66(9) . . . . ?
C28A C29A C30A C31A 143.23(11) . . . . ?
C34A C29A C30A C31A -10.27(16) . . . . ?
Sc2A C29A C30A C31A 40.18(10) . . . . ?
C25A C30A C31A C65A 11.30(14) . . . . ?
C29A C30A C31A C65A -143.60(11) . . . . ?
C25A C30A C31A C32A 165.14(10) . . . . ?
C29A C30A C31A C32A 10.24(16) . . . . ?
C25A C30A C31A Sc2A 114.58(9) . . . . ?
C29A C30A C31A Sc2A -40.32(10) . . . . ?
C65A C31A C32A C62A 19.62(16) . . . . ?
C30A C31A C32A C62A -134.66(11) . . . . ?
Sc2A C31A C32A C62A -71.97(10) . . . . ?
C65A C31A C32A C33A 156.01(11) . . . . ?
C30A C31A C32A C33A 1.72(17) . . . . ?
Sc2A C31A C32A C33A 64.42(10) . . . . ?
C65A C31A C32A Sc2A 91.59(10) . . . . ?
C30A C31A C32A Sc2A -62.69(10) . . . . ?
C62A C32A C33A C37A 2.14(14) . . . . ?
C31A C32A C33A C37A -138.96(11) . . . . ?
Sc2A C32A C33A C37A -64.69(9) . . . . ?
C62A C32A C33A C34A 127.21(11) . . . . ?
C31A C32A C33A C34A -13.89(16) . . . . ?
Sc2A C32A C33A C34A 60.38(10) . . . . ?
C62A C32A C33A Sc2A 66.83(9) . . . . ?
C31A C32A C33A Sc2A -74.27(11) . . . . ?
C37A C33A C34A C35A -1.66(14) . . . . ?
C32A C33A C34A C35A -126.67(11) . . . . ?
Sc2A C33A C34A C35A -66.43(9) . . . . ?
C37A C33A C34A C29A 138.84(11) . . . . ?
C32A C33A C34A C29A 13.83(16) . . . . ?
Sc2A C33A C34A C29A 74.08(11) . . . . ?
C37A C33A C34A Sc2A 64.77(9) . . . . ?
C32A C33A C34A Sc2A -60.25(10) . . . . ?
C28A C29A C34A C35A -19.66(16) . . . . ?
C30A C29A C34A C35A 134.25(11) . . . . ?
Sc2A C29A C34A C35A 71.64(10) . . . . ?
C28A C29A C34A C33A -155.51(11) . . . . ?
C30A C29A C34A C33A -1.60(17) . . . . ?
Sc2A C29A C34A C33A -64.22(10) . . . . ?
C28A C29A C34A Sc2A -91.29(10) . . . . ?
C30A C29A C34A Sc2A 62.61(10) . . . . ?
C33A C34A C35A C36A 3.08(14) . . . . ?
C29A C34A C35A C36A -137.58(11) . . . . ?
Sc2A C34A C35A C36A -59.25(9) . . . . ?
C33A C34A C35A C47A 147.54(11) . . . . ?
C29A C34A C35A C47A 6.89(16) . . . . ?
Sc2A C34A C35A C47A 85.22(10) . . . . ?
C33A C34A C35A Sc2A 62.33(8) . . . . ?
C29A C34A C35A Sc2A -78.33(10) . . . . ?
C34A C35A C36A C37A -3.30(14) . . . . ?
C47A C35A C36A C37A -147.77(11) . . . . ?
Sc2A C35A C36A C37A -62.12(8) . . . . ?
C34A C35A C36A C41A 137.82(11) . . . . ?
C47A C35A C36A C41A -6.65(16) . . . . ?
Sc2A C35A C36A C41A 78.99(9) . . . . ?
C34A C35A C36A Sc2A 58.82(9) . . . . ?
C47A C35A C36A Sc2A -85.65(10) . . . . ?
C34A C33A C37A C38A -131.65(11) . . . . ?
C32A C33A C37A C38A 0.29(13) . . . . ?
Sc2A C33A C37A C38A -65.55(9) . . . . ?
C34A C33A C37A C36A -0.36(14) . . . . ?
C32A C33A C37A C36A 131.58(11) . . . . ?
Sc2A C33A C37A C36A 65.74(9) . . . . ?
C34A C33A C37A Sc2A -66.10(9) . . . . ?
C32A C33A C37A Sc2A 65.84(9) . . . . ?
C35A C36A C37A C33A 2.25(14) . . . . ?
C41A C36A C37A C33A -138.77(11) . . . . ?
Sc2A C36A C37A C33A -63.61(9) . . . . ?
C35A C36A C37A C38A 126.71(11) . . . . ?
C41A C36A C37A C38A -14.31(16) . . . . ?
Sc2A C36A C37A C38A 60.85(9) . . . . ?
C35A C36A C37A Sc2A 65.86(9) . . . . ?
C41A C36A C37A Sc2A -75.16(10) . . . . ?
C33A C37A C38A C62A -2.61(13) . . . . ?
C36A C37A C38A C62A -127.03(11) . . . . ?
Sc2A C37A C38A C62A -66.12(9) . . . . ?
C33A C37A C38A C39A 138.78(11) . . . . ?
C36A C37A C38A C39A 14.36(16) . . . . ?
Sc2A C37A C38A C39A 75.27(10) . . . . ?
C33A C37A C38A Sc2A 63.51(8) . . . . ?
C36A C37A C38A Sc2A -60.91(9) . . . . ?
C62A C38A C39A C61A -19.18(16) . . . . ?
C37A C38A C39A C61A -155.99(12) . . . . ?
Sc2A C38A C39A C61A -91.01(11) . . . . ?
C62A C38A C39A C40A 134.80(12) . . . . ?
C37A C38A C39A C40A -2.01(17) . . . . ?
Sc2A C38A C39A C40A 62.98(11) . . . . ?
C62A C38A C39A Sc2A 71.82(9) . . . . ?
C37A C38A C39A Sc2A -64.99(9) . . . . ?
C4A C3A C40A C41A -8.86(19) . . . . ?
C2A C3A C40A C41A -147.25(12) . . . . ?
Sc1A C3A C40A C41A -78.50(13) . . . . ?
C4A C3A C40A C39A 147.04(12) . . . . ?
C2A C3A C40A C39A 8.65(19) . . . . ?
Sc1A C3A C40A C39A 77.40(13) . . . . ?
C61A C39A C40A C3A -12.32(19) . . . . ?
C38A C39A C40A C3A -165.92(12) . . . . ?
Sc2A C39A C40A C3A -115.59(13) . . . . ?
C61A C39A C40A C41A 143.41(12) . . . . ?
C38A C39A C40A C41A -10.19(18) . . . . ?
Sc2A C39A C40A C41A 40.14(12) . . . . ?
C35A C36A C41A C42A 19.54(16) . . . . ?
C37A C36A C41A C42A 155.92(11) . . . . ?
Sc2A C36A C41A C42A 91.11(11) . . . . ?
C35A C36A C41A C40A -134.48(12) . . . . ?
C37A C36A C41A C40A 1.89(17) . . . . ?
Sc2A C36A C41A C40A -62.92(11) . . . . ?
C35A C36A C41A Sc2A -71.57(9) . . . . ?
C37A C36A C41A Sc2A 64.81(9) . . . . ?
C3A C40A C41A C42A 12.34(19) . . . . ?
C39A C40A C41A C42A -143.35(12) . . . . ?
C3A C40A C41A C36A 165.92(12) . . . . ?
C39A C40A C41A C36A 10.23(18) . . . . ?
C3A C40A C41A Sc2A 115.60(13) . . . . ?
C39A C40A C41A Sc2A -40.09(12) . . . . ?
C36A C41A C42A C43A -158.48(12) . . . . ?
C40A C41A C42A C43A -4.17(18) . . . . ?
Sc2A C41A C42A C43A -95.91(12) . . . . ?
C36A C41A C42A C46A -18.75(18) . . . . ?
C40A C41A C42A C46A 135.55(14) . . . . ?
Sc2A C41A C42A C46A 43.82(14) . . . . ?
C46A C42A C43A C44A -5.90(15) . . . . ?
C41A C42A C43A C44A 138.59(12) . . . . ?
C46A C42A C43A C4A -152.41(12) . . . . ?
C41A C42A C43A C4A -7.91(18) . . . . ?
C46A C42A C43A Sc1A -90.44(11) . . . . ?
C41A C42A C43A Sc1A 54.06(13) . . . . ?
C3A C4A C43A C42A 11.58(17) . . . . ?
C5A C4A C43A C42A 148.82(11) . . . . ?
Sc1A C4A C43A C42A 83.44(11) . . . . ?
C3A C4A C43A C44A -130.87(11) . . . . ?
C5A C4A C43A C44A 6.38(15) . . . . ?
Sc1A C4A C43A C44A -59.00(10) . . . . ?
C3A C4A C43A Sc1A -71.86(10) . . . . ?
C5A C4A C43A Sc1A 65.39(9) . . . . ?
C42A C43A C44A C45A 4.42(14) . . . . ?
C4A C43A C44A C45A 150.73(11) . . . . ?
Sc1A C43A C44A C45A 101.31(9) . . . . ?
C42A C43A C44A C56A -139.70(11) . . . . ?
C4A C43A C44A C56A 6.61(15) . . . . ?
Sc1A C43A C44A C56A -42.81(9) . . . . ?
C43A C44A C45A C46A -1.22(15) . . . . ?
C56A C44A C45A C46A 142.18(11) . . . . ?
C43A C44A C45A C50A -145.63(13) . . . . ?
C56A C44A C45A C50A -2.23(19) . . . . ?
C43A C42A C46A C45A 5.09(16) . . . . ?
C41A C42A C46A C45A -139.30(13) . . . . ?
C43A C42A C46A C47A 149.19(12) . . . . ?
C41A C42A C46A C47A 4.8(2) . . . . ?
C44A C45A C46A C42A -2.41(17) . . . . ?
C50A C45A C46A C42A 142.09(15) . . . . ?
C44A C45A C46A C47A -146.35(12) . . . . ?
C50A C45A C46A C47A -1.9(2) . . . . ?
C42A C46A C47A C35A 8.73(19) . . . . ?
C45A C46A C47A C35A 148.29(13) . . . . ?
C42A C46A C47A C48A -147.20(13) . . . . ?
C45A C46A C47A C48A -7.64(19) . . . . ?
C36A C35A C47A C46A -7.67(17) . . . . ?
C34A C35A C47A C46A -148.05(12) . . . . ?
Sc2A C35A C47A C46A -78.26(11) . . . . ?
C36A C35A C47A C48A 148.13(11) . . . . ?
C34A C35A C47A C48A 7.75(16) . . . . ?
Sc2A C35A C47A C48A 77.54(10) . . . . ?
C27A C28A C48A C49A -5.67(15) . . . . ?
C29A C28A C48A C49A 138.92(13) . . . . ?
C27A C28A C48A C47A -148.67(12) . . . . ?
C29A C28A C48A C47A -4.08(19) . . . . ?
C46A C47A C48A C28A 146.61(12) . . . . ?
C35A C47A C48A C28A -9.31(18) . . . . ?
C46A C47A C48A C49A 8.24(19) . . . . ?
C35A C47A C48A C49A -147.68(13) . . . . ?
C28A C48A C49A C54A 2.51(17) . . . . ?
C47A C48A C49A C54A 145.40(13) . . . . ?
C28A C48A C49A C50A -142.22(14) . . . . ?
C47A C48A C49A C50A 0.7(2) . . . . ?
C54A C49A C50A C45A -150.63(15) . . . . ?
C48A C49A C50A C45A -10.1(2) . . . . ?
C54A C49A C50A C51A 3.1(2) . . . . ?
C48A C49A C50A C51A 143.59(15) . . . . ?
C44A C45A C50A C49A 150.78(14) . . . . ?
C46A C45A C50A C49A 10.7(2) . . . . ?
C44A C45A C50A C51A -3.0(2) . . . . ?
C46A C45A C50A C51A -143.06(15) . . . . ?
C49A C50A C51A C52A -6.0(2) . . . . ?
C45A C50A C51A C52A 147.84(15) . . . . ?
C49A C50A C51A C55A -147.25(15) . . . . ?
C45A C50A C51A C55A 6.6(2) . . . . ?
C55A C51A C52A C14A 4.05(18) . . . . ?
C50A C51A C52A C14A -141.45(15) . . . . ?
C55A C51A C52A C53A 150.04(14) . . . . ?
C50A C51A C52A C53A 4.5(2) . . . . ?
C13A C14A C52A C51A -2.48(18) . . . . ?
C15A C14A C52A C51A 141.02(14) . . . . ?
C13A C14A C52A C53A -148.39(14) . . . . ?
C15A C14A C52A C53A -4.9(2) . . . . ?
C22A C21A C53A C54A 1.62(17) . . . . ?
C20A C21A C53A C54A -134.90(13) . . . . ?
Sc3A C21A C53A C54A -65.83(12) . . . . ?
C22A C21A C53A C52A 153.18(12) . . . . ?
C20A C21A C53A C52A 16.66(18) . . . . ?
Sc3A C21A C53A C52A 85.72(12) . . . . ?
C22A C21A C53A Sc3A 67.46(10) . . . . ?
C20A C21A C53A Sc3A -69.06(11) . . . . ?
C51A C52A C53A C54A -0.3(2) . . . . ?
C14A C52A C53A C54A 141.39(15) . . . . ?
C51A C52A C53A C21A -152.09(14) . . . . ?
C14A C52A C53A C21A -10.4(2) . . . . ?
C51A C52A C53A Sc3A -89.17(15) . . . . ?
C14A C52A C53A Sc3A 52.47(15) . . . . ?
C48A C49A C54A C27A 1.65(17) . . . . ?
C50A C49A C54A C27A 146.49(14) . . . . ?
C48A C49A C54A C53A -143.72(14) . . . . ?
C50A C49A C54A C53A 1.1(2) . . . . ?
C28A C27A C54A C49A -5.22(17) . . . . ?
C26A C27A C54A C49A -151.19(13) . . . . ?
Sc3A C27A C54A C49A -102.24(12) . . . . ?
C28A C27A C54A C53A 140.63(13) . . . . ?
C26A C27A C54A C53A -5.3(2) . . . . ?
Sc3A C27A C54A C53A 43.61(12) . . . . ?
C21A C53A C54A C49A 148.96(14) . . . . ?
C52A C53A C54A C49A -2.6(2) . . . . ?
Sc3A C53A C54A C49A 95.13(14) . . . . ?
C21A C53A C54A C27A 7.94(19) . . . . ?
C52A C53A C54A C27A -143.64(13) . . . . ?
Sc3A C53A C54A C27A -45.90(13) . . . . ?
C52A C51A C55A C13A -4.06(18) . . . . ?
C50A C51A C55A C13A 141.47(15) . . . . ?
C52A C51A C55A C56A -150.35(13) . . . . ?
C50A C51A C55A C56A -4.8(2) . . . . ?
C14A C13A C55A C51A 2.50(18) . . . . ?
C12A C13A C55A C51A -141.28(15) . . . . ?
C14A C13A C55A C56A 148.80(13) . . . . ?
C12A C13A C55A C56A 5.0(2) . . . . ?
C5A C6A C56A C44A -1.68(14) . . . . ?
C7A C6A C56A C44A 135.70(10) . . . . ?
Sc1A C6A C56A C44A 66.38(9) . . . . ?
C5A C6A C56A C55A -153.71(11) . . . . ?
C7A C6A C56A C55A -16.33(15) . . . . ?
Sc1A C6A C56A C55A -85.66(10) . . . . ?
C5A C6A C56A Sc1A -68.05(9) . . . . ?
C7A C6A C56A Sc1A 69.33(9) . . . . ?
C43A C44A C56A C6A -8.94(14) . . . . ?
C45A C44A C56A C6A -148.02(11) . . . . ?
C43A C44A C56A C55A 143.11(11) . . . . ?
C45A C44A C56A C55A 4.03(16) . . . . ?
C43A C44A C56A Sc1A 44.74(9) . . . . ?
C45A C44A C56A Sc1A -94.34(10) . . . . ?
C51A C55A C56A C6A 151.91(13) . . . . ?
C13A C55A C56A C6A 9.98(18) . . . . ?
C51A C55A C56A C44A -0.47(18) . . . . ?
C13A C55A C56A C44A -142.40(13) . . . . ?
C51A C55A C56A Sc1A 89.49(13) . . . . ?
C13A C55A C56A Sc1A -52.43(14) . . . . ?
C1A C2A C57A C58A -6.41(15) . . . . ?
C3A C2A C57A C58A 130.67(12) . . . . ?
Sc1A C2A C57A C58A 58.57(10) . . . . ?
C1A C2A C57A C61A -148.14(12) . . . . ?
C3A C2A C57A C61A -11.06(17) . . . . ?
Sc1A C2A C57A C61A -83.17(11) . . . . ?
C1A C2A C57A Sc1A -64.98(9) . . . . ?
C3A C2A C57A Sc1A 72.10(10) . . . . ?
C61A C57A C58A C59A -4.75(15) . . . . ?
C2A C57A C58A C59A -150.46(11) . . . . ?
Sc1A C57A C58A C59A -101.03(10) . . . . ?
C61A C57A C58A C9A 139.25(11) . . . . ?
C2A C57A C58A C9A -6.47(16) . . . . ?
Sc1A C57A C58A C9A 42.96(10) . . . . ?
C10A C9A C58A C57A -142.98(11) . . . . ?
C8A C9A C58A C57A 9.12(16) . . . . ?
Sc1A C9A C58A C57A -44.87(10) . . . . ?
C10A C9A C58A C59A -3.85(17) . . . . ?
C8A C9A C58A C59A 148.25(11) . . . . ?
Sc1A C9A C58A C59A 94.26(12) . . . . ?
C57A C58A C59A C60A 1.12(16) . . . . ?
C9A C58A C59A C60A -142.58(12) . . . . ?
C57A C58A C59A C69A 146.15(13) . . . . ?
C9A C58A C59A C69A 2.4(2) . . . . ?
C58A C59A C60A C61A 2.91(17) . . . . ?
C69A C59A C60A C61A -142.09(14) . . . . ?
C58A C59A C60A C63A 146.60(14) . . . . ?
C69A C59A C60A C63A 1.6(2) . . . . ?
C59A C60A C61A C57A -5.79(17) . . . . ?
C63A C60A C61A C57A -149.63(13) . . . . ?
C59A C60A C61A C39A 139.35(14) . . . . ?
C63A C60A C61A C39A -4.5(2) . . . . ?
C58A C57A C61A C60A 6.54(15) . . . . ?
C2A C57A C61A C60A 152.42(12) . . . . ?
Sc1A C57A C61A C60A 90.29(11) . . . . ?
C58A C57A C61A C39A -138.68(13) . . . . ?
C2A C57A C61A C39A 7.20(19) . . . . ?
Sc1A C57A C61A C39A -54.93(13) . . . . ?
C38A C39A C61A C60A 18.40(19) . . . . ?
C40A C39A C61A C60A -135.83(14) . . . . ?
Sc2A C39A C61A C60A -44.13(15) . . . . ?
C38A C39A C61A C57A 158.85(12) . . . . ?
C40A C39A C61A C57A 4.62(19) . . . . ?
Sc2A C39A C61A C57A 96.33(12) . . . . ?
C37A C38A C62A C32A 3.96(14) . . . . ?
C39A C38A C62A C32A -137.59(11) . . . . ?
Sc2A C38A C62A C32A -58.40(9) . . . . ?
C37A C38A C62A C63A 147.89(12) . . . . ?
C39A C38A C62A C63A 6.34(16) . . . . ?
Sc2A C38A C62A C63A 85.54(11) . . . . ?
C37A C38A C62A Sc2A 62.36(8) . . . . ?
C39A C38A C62A Sc2A -79.20(9) . . . . ?
C33A C32A C62A C38A -3.77(14) . . . . ?
C31A C32A C62A C38A 137.41(11) . . . . ?
Sc2A C32A C62A C38A 58.84(9) . . . . ?
C33A C32A C62A C63A -147.72(11) . . . . ?
C31A C32A C62A C63A -6.54(16) . . . . ?
Sc2A C32A C62A C63A -85.10(11) . . . . ?
C33A C32A C62A Sc2A -62.62(8) . . . . ?
C31A C32A C62A Sc2A 78.57(10) . . . . ?
C38A C62A C63A C64A -147.89(12) . . . . ?
C32A C62A C63A C64A -8.08(18) . . . . ?
Sc2A C62A C63A C64A -77.57(13) . . . . ?
C38A C62A C63A C60A 7.84(19) . . . . ?
C32A C62A C63A C60A 147.66(13) . . . . ?
Sc2A C62A C63A C60A 78.17(13) . . . . ?
C61A C60A C63A C64A 146.97(14) . . . . ?
C59A C60A C63A C64A 7.7(2) . . . . ?
C61A C60A C63A C62A -8.9(2) . . . . ?
C59A C60A C63A C62A -148.24(14) . . . . ?
C62A C63A C64A C65A 9.2(2) . . . . ?
C60A C63A C64A C65A -146.67(14) . . . . ?
C62A C63A C64A C68A 148.38(13) . . . . ?
C60A C63A C64A C68A -7.4(2) . . . . ?
C68A C64A C65A C66A 5.47(15) . . . . ?
C63A C64A C65A C66A 149.28(12) . . . . ?
C68A C64A C65A C31A -139.27(12) . . . . ?
C63A C64A C65A C31A 4.53(19) . . . . ?
C32A C31A C65A C66A -158.82(11) . . . . ?
C30A C31A C65A C66A -4.32(16) . . . . ?
Sc2A C31A C65A C66A -95.64(10) . . . . ?
C32A C31A C65A C64A -18.77(17) . . . . ?
C30A C31A C65A C64A 135.73(11) . . . . ?
Sc2A C31A C65A C64A 44.41(13) . . . . ?
C64A C65A C66A C67A -6.39(13) . . . . ?
C31A C65A C66A C67A 138.36(11) . . . . ?
C64A C65A C66A C24A -151.88(11) . . . . ?
C31A C65A C66A C24A -7.13(16) . . . . ?
C64A C65A C66A Sc3A -90.36(10) . . . . ?
C31A C65A C66A Sc3A 54.39(11) . . . . ?
C25A C24A C66A C65A 11.38(14) . . . . ?
C23A C24A C66A C65A 148.33(11) . . . . ?
Sc3A C24A C66A C65A 83.36(10) . . . . ?
C25A C24A C66A C67A -130.00(10) . . . . ?
C23A C24A C66A C67A 6.95(16) . . . . ?
Sc3A C24A C66A C67A -58.02(10) . . . . ?
C25A C24A C66A Sc3A -71.98(8) . . . . ?
C23A C24A C66A Sc3A 64.97(9) . . . . ?
C65A C66A C67A C68A 4.85(13) . . . . ?
C24A C66A C67A C68A 150.20(11) . . . . ?
Sc3A C66A C67A C68A 101.66(9) . . . . ?
C65A C66A C67A C18A -138.40(11) . . . . ?
C24A C66A C67A C18A 6.95(16) . . . . ?
Sc3A C66A C67A C18A -41.59(10) . . . . ?
C17A C18A C67A C68A 5.34(18) . . . . ?
C19A C18A C67A C68A -149.27(12) . . . . ?
Sc3A C18A C67A C68A -94.24(11) . . . . ?
C17A C18A C67A C66A 143.70(12) . . . . ?
C19A C18A C67A C66A -10.91(17) . . . . ?
Sc3A C18A C67A C66A 44.12(10) . . . . ?
C66A C67A C68A C64A -1.40(14) . . . . ?
C18A C67A C68A C64A 141.43(12) . . . . ?
C66A C67A C68A C69A -145.52(13) . . . . ?
C18A C67A C68A C69A -2.69(19) . . . . ?
C65A C64A C68A C67A -2.52(15) . . . . ?
C63A C64A C68A C67A -146.08(13) . . . . ?
C65A C64A C68A C69A 141.57(13) . . . . ?
C63A C64A C68A C69A -2.0(2) . . . . ?
C67A C68A C69A C59A 150.84(13) . . . . ?
C64A C68A C69A C59A 11.2(2) . . . . ?
C67A C68A C69A C70A -3.4(2) . . . . ?
C64A C68A C69A C70A -143.07(14) . . . . ?
C58A C59A C69A C68A -151.67(14) . . . . ?
C60A C59A C69A C68A -11.0(2) . . . . ?
C58A C59A C69A C70A 2.6(2) . . . . ?
C60A C59A C69A C70A 143.31(14) . . . . ?
C16A C17A C70A C10A -3.94(17) . . . . ?
C18A C17A C70A C10A -149.51(13) . . . . ?
C16A C17A C70A C69A 141.30(14) . . . . ?
C18A C17A C70A C69A -4.3(2) . . . . ?
C11A C10A C70A C17A 4.03(17) . . . . ?
C9A C10A C70A C17A 150.20(13) . . . . ?
C11A C10A C70A C69A -141.19(14) . . . . ?
C9A C10A C70A C69A 5.0(2) . . . . ?
C68A C69A C70A C17A 6.9(2) . . . . ?
C59A C69A C70A C17A -147.26(14) . . . . ?
C68A C69A C70A C10A 147.82(14) . . . . ?
C59A C69A C70A C10A -6.3(2) . . . . ?
C5B C1B C2B C57B 140.94(10) . . . . ?
C8B C1B C2B C57B 16.59(14) . . . . ?
Sc1B C1B C2B C57B 76.2(2) . . . . ?
C5B C1B C2B C3B -0.24(12) . . . . ?
C8B C1B C2B C3B -124.59(10) . . . . ?
Sc1B C1B C2B C3B -64.9(2) . . . . ?
C5B C1B C2B Sc1B 64.7(2) . . . . ?
C8B C1B C2B Sc1B -59.7(2) . . . . ?
C57B C2B C3B C4B -140.45(10) . . . . ?
C1B C2B C3B C4B 0.52(12) . . . . ?
Sc1B C2B C3B C4B -61.82(15) . . . . ?
C57B C2B C3B C40B 2.93(17) . . . . ?
C1B C2B C3B C40B 143.90(12) . . . . ?
Sc1B C2B C3B C40B 81.57(17) . . . . ?
C57B C2B C3B Sc1B -78.63(16) . . . . ?
C1B C2B C3B Sc1B 62.33(15) . . . . ?
C2B C3B C4B C43B 140.47(10) . . . . ?
C40B C3B C4B C43B -3.00(17) . . . . ?
Sc1B C3B C4B C43B 77.28(19) . . . . ?
C2B C3B C4B C5B -0.60(13) . . . . ?
C40B C3B C4B C5B -144.07(12) . . . . ?
Sc1B C3B C4B C5B -63.79(19) . . . . ?
C2B C3B C4B Sc1B 63.19(19) . . . . ?
C40B C3B C4B Sc1B -80.3(2) . . . . ?
C8B C1B C5B C6B 0.39(11) . . . . ?
C2B C1B C5B C6B -130.67(9) . . . . ?
Sc1B C1B C5B C6B -63.26(15) . . . . ?
C8B C1B C5B C4B 130.92(9) . . . . ?
C2B C1B C5B C4B -0.13(12) . . . . ?
Sc1B C1B C5B C4B 67.27(15) . . . . ?
C8B C1B C5B Sc1B 63.65(15) . . . . ?
C2B C1B C5B Sc1B -67.41(15) . . . . ?
C43B C4B C5B C1B -140.90(10) . . . . ?
C3B C4B C5B C1B 0.46(12) . . . . ?
Sc1B C4B C5B C1B -66.9(2) . . . . ?
C43B C4B C5B C6B -17.06(14) . . . . ?
C3B C4B C5B C6B 124.30(10) . . . . ?
Sc1B C4B C5B C6B 57.0(2) . . . . ?
C43B C4B C5B Sc1B -74.0(3) . . . . ?
C3B C4B C5B Sc1B 67.3(2) . . . . ?
C1B C5B C6B C7B -3.68(11) . . . . ?
C4B C5B C6B C7B -127.35(10) . . . . ?
Sc1B C5B C6B C7B -68.7(2) . . . . ?
C1B C5B C6B C56B 138.35(10) . . . . ?
C4B C5B C6B C56B 14.68(14) . . . . ?
Sc1B C5B C6B C56B 73.3(2) . . . . ?
C1B C5B C6B Sc1B 65.0(2) . . . . ?
C4B C5B C6B Sc1B -58.6(2) . . . . ?
C5B C6B C7B C8B 5.55(11) . . . . ?
C56B C6B C7B C8B -136.24(10) . . . . ?
Sc1B C6B C7B C8B -61.7(2) . . . . ?
C5B C6B C7B C12B 149.65(11) . . . . ?
C56B C6B C7B C12B 7.85(16) . . . . ?
Sc1B C6B C7B C12B 82.4(2) . . . . ?
C5B C6B C7B Sc1B 67.2(2) . . . . ?
C56B C6B C7B Sc1B -74.6(2) . . . . ?
C5B C1B C8B C7B 3.05(11) . . . . ?
C2B C1B C8B C7B 127.17(10) . . . . ?
Sc1B C1B C8B C7B 66.0(2) . . . . ?
C5B C1B C8B C9B -137.93(9) . . . . ?
C2B C1B C8B C9B -13.82(14) . . . . ?
Sc1B C1B C8B C9B -75.0(2) . . . . ?
C5B C1B C8B Sc1B -63.0(2) . . . . ?
C2B C1B C8B Sc1B 61.2(2) . . . . ?
C6B C7B C8B C1B -5.31(11) . . . . ?
C12B C7B C8B C1B -149.23(11) . . . . ?
Sc1B C7B C8B C1B -65.37(14) . . . . ?
C6B C7B C8B C9B 135.56(9) . . . . ?
C12B C7B C8B C9B -8.36(16) . . . . ?
Sc1B C7B C8B C9B 75.50(15) . . . . ?
C6B C7B C8B Sc1B 60.06(14) . . . . ?
C12B C7B C8B Sc1B -83.86(16) . . . . ?
C1B C8B C9B C10B 153.34(10) . . . . ?
C7B C8B C9B C10B 16.99(14) . . . . ?
Sc1B C8B C9B C10B 85.69(18) . . . . ?
C1B C8B C9B C58B 1.00(14) . . . . ?
C7B C8B C9B C58B -135.35(10) . . . . ?
Sc1B C8B C9B C58B -66.65(18) . . . . ?
C1B C8B C9B Sc1B 67.64(17) . . . . ?
C7B C8B C9B Sc1B -68.70(17) . . . . ?
C8B C9B C10B C70B -152.24(12) . . . . ?
C58B C9B C10B C70B 0.11(18) . . . . ?
Sc1B C9B C10B C70B -89.31(17) . . . . ?
C8B C9B C10B C11B -10.57(17) . . . . ?
C58B C9B C10B C11B 141.78(13) . . . . ?
Sc1B C9B C10B C11B 52.36(18) . . . . ?
C70B C10B C11B C16B -2.57(17) . . . . ?
C9B C10B C11B C16B -148.44(13) . . . . ?
C70B C10B C11B C12B 141.14(14) . . . . ?
C9B C10B C11B C12B -4.7(2) . . . . ?
C8B C7B C12B C11B -6.95(19) . . . . ?
C6B C7B C12B C11B -146.43(13) . . . . ?
Sc1B C7B C12B C11B -78.1(3) . . . . ?
C8B C7B C12B C13B 146.71(13) . . . . ?
C6B C7B C12B C13B 7.2(2) . . . . ?
Sc1B C7B C12B C13B 75.5(3) . . . . ?
C10B C11B C12B C7B 13.5(2) . . . . ?
C16B C11B C12B C7B 152.58(14) . . . . ?
C10B C11B C12B C13B -139.99(15) . . . . ?
C16B C11B C12B C13B -0.9(2) . . . . ?
C7B C12B C13B C55B -13.6(2) . . . . ?
C11B C12B C13B C55B 139.81(15) . . . . ?
C7B C12B C13B C14B -152.79(14) . . . . ?
C11B C12B C13B C14B 0.6(2) . . . . ?
C55B C13B C14B C52B -0.02(18) . . . . ?
C12B C13B C14B C52B 143.50(16) . . . . ?
C55B C13B C14B C15B -143.48(14) . . . . ?
C12B C13B C14B C15B 0.0(2) . . . . ?
C13B C14B C15B C16B -0.5(2) . . . . ?
C52B C14B C15B C16B -139.24(14) . . . . ?
C13B C14B C15B C20B 152.68(14) . . . . ?
C52B C14B C15B C20B 13.9(2) . . . . ?
C13B C14B C15B Sc3B 95.47(17) . . . . ?
C52B C14B C15B Sc3B -43.31(18) . . . . ?
C10B C11B C16B C17B 0.15(18) . . . . ?
C12B C11B C16B C17B -143.33(15) . . . . ?
C10B C11B C16B C15B 143.98(14) . . . . ?
C12B C11B C16B C15B 0.5(2) . . . . ?
C14B C15B C16B C11B 0.2(2) . . . . ?
C20B C15B C16B C11B -152.91(14) . . . . ?
Sc3B C15B C16B C11B -101.42(16) . . . . ?
C14B C15B C16B C17B 139.58(14) . . . . ?
C20B C15B C16B C17B -13.51(19) . . . . ?
Sc3B C15B C16B C17B 37.97(16) . . . . ?
C11B C16B C17B C70B 2.34(17) . . . . ?
C15B C16B C17B C70B -141.69(13) . . . . ?
C11B C16B C17B C18B 147.71(14) . . . . ?
C15B C16B C17B C18B 3.7(2) . . . . ?
C70B C17B C18B C67B -1.8(2) . . . . ?
C16B C17B C18B C67B -142.91(13) . . . . ?
C70B C17B C18B C19B 153.07(13) . . . . ?
C16B C17B C18B C19B 12.0(2) . . . . ?
C70B C17B C18B Sc3B 86.77(18) . . . . ?
C16B C17B C18B Sc3B -54.31(19) . . . . ?
C17B C18B C19B C23B -153.75(12) . . . . ?
C67B C18B C19B C23B 1.05(18) . . . . ?
Sc3B C18B C19B C23B -66.14(14) . . . . ?
C17B C18B C19B C20B -17.71(18) . . . . ?
C67B C18B C19B C20B 137.08(12) . . . . ?
Sc3B C18B C19B C20B 69.89(14) . . . . ?
C17B C18B C19B Sc3B -87.60(15) . . . . ?
C67B C18B C19B Sc3B 67.19(14) . . . . ?
C23B C19B C20B C21B 5.93(15) . . . . ?
C18B C19B C20B C21B -134.68(12) . . . . ?
Sc3B C19B C20B C21B -64.96(17) . . . . ?
C23B C19B C20B C15B 148.60(12) . . . . ?
C18B C19B C20B C15B 7.99(18) . . . . ?
Sc3B C19B C20B C15B 77.71(18) . . . . ?
C23B C19B C20B Sc3B 70.89(16) . . . . ?
C18B C19B C20B Sc3B -69.72(17) . . . . ?
C16B C15B C20B C19B 7.64(18) . . . . ?
C14B C15B C20B C19B -145.69(13) . . . . ?
Sc3B C15B C20B C19B -62.24(19) . . . . ?
C16B C15B C20B C21B 145.74(13) . . . . ?
C14B C15B C20B C21B -7.58(18) . . . . ?
Sc3B C15B C20B C21B 75.9(2) . . . . ?
C16B C15B C20B Sc3B 69.9(2) . . . . ?
C14B C15B C20B Sc3B -83.4(2) . . . . ?
C19B C20B C21B C22B -5.86(15) . . . . ?
C15B C20B C21B C22B -148.50(12) . . . . ?
Sc3B C20B C21B C22B -63.33(13) . . . . ?
C19B C20B C21B C53B 134.91(12) . . . . ?
C15B C20B C21B C53B -7.72(18) . . . . ?
Sc3B C20B C21B C53B 77.45(14) . . . . ?
C19B C20B C21B Sc3B 57.47(13) . . . . ?
C15B C20B C21B Sc3B -85.17(15) . . . . ?
C20B C21B C22B C23B 3.54(15) . . . . ?
C53B C21B C22B C23B -137.76(11) . . . . ?
Sc3B C21B C22B C23B -57.20(16) . . . . ?
C20B C21B C22B C26B 127.54(12) . . . . ?
C53B C21B C22B C26B -13.76(16) . . . . ?
Sc3B C21B C22B C26B 66.80(17) . . . . ?
C20B C21B C22B Sc3B 60.74(17) . . . . ?
C53B C21B C22B Sc3B -80.56(17) . . . . ?
C21B C22B C23B C19B 0.15(14) . . . . ?
C26B C22B C23B C19B -131.03(11) . . . . ?
Sc3B C22B C23B C19B -61.43(13) . . . . ?
C21B C22B C23B C24B 131.20(11) . . . . ?
C26B C22B C23B C24B 0.02(12) . . . . ?
Sc3B C22B C23B C24B 69.62(12) . . . . ?
C21B C22B C23B Sc3B 61.58(13) . . . . ?
C26B C22B C23B Sc3B -69.60(12) . . . . ?
C20B C19B C23B C22B -3.77(15) . . . . ?
C18B C19B C23B C22B 137.05(12) . . . . ?
Sc3B C19B C23B C22B 69.35(19) . . . . ?
C20B C19B C23B C24B -127.99(12) . . . . ?
C18B C19B C23B C24B 12.82(17) . . . . ?
Sc3B C19B C23B C24B -54.9(2) . . . . ?
C20B C19B C23B Sc3B -73.12(19) . . . . ?
C18B C19B C23B Sc3B 67.7(2) . . . . ?
C22B C23B C24B C25B -0.27(12) . . . . ?
C19B C23B C24B C25B 124.22(11) . . . . ?
Sc3B C23B C24B C25B 72.68(18) . . . . ?
C22B C23B C24B C66B -141.37(10) . . . . ?
C19B C23B C24B C66B -16.88(16) . . . . ?
Sc3B C23B C24B C66B -68.41(19) . . . . ?
C22B C23B C24B Sc3B -72.95(19) . . . . ?
C19B C23B C24B Sc3B 51.53(19) . . . . ?
C66B C24B C25B C26B 141.33(9) . . . . ?
C23B C24B C25B C26B 0.41(12) . . . . ?
Sc3B C24B C25B C26B 65.46(14) . . . . ?
C66B C24B C25B C30B -3.99(14) . . . . ?
C23B C24B C25B C30B -144.91(10) . . . . ?
Sc3B C24B C25B C30B -79.86(15) . . . . ?
C66B C24B C25B Sc3B 75.87(15) . . . . ?
C23B C24B C25B Sc3B -65.04(15) . . . . ?
C24B C25B C26B C27B -140.68(10) . . . . ?
C30B C25B C26B C27B 4.71(14) . . . . ?
Sc3B C25B C26B C27B -82.28(13) . . . . ?
C24B C25B C26B C22B -0.40(12) . . . . ?
C30B C25B C26B C22B 145.00(10) . . . . ?
Sc3B C25B C26B C22B 58.01(12) . . . . ?
C24B C25B C26B Sc3B -58.41(12) . . . . ?
C30B C25B C26B Sc3B 86.99(13) . . . . ?
C23B C22B C26B C27B 140.66(11) . . . . ?
C21B C22B C26B C27B 16.47(16) . . . . ?
Sc3B C22B C26B C27B 79.96(16) . . . . ?
C23B C22B C26B C25B 0.24(12) . . . . ?
C21B C22B C26B C25B -123.96(10) . . . . ?
Sc3B C22B C26B C25B -60.47(15) . . . . ?
C23B C22B C26B Sc3B 60.71(15) . . . . ?
C21B C22B C26B Sc3B -63.49(16) . . . . ?
C25B C26B C27B C54B 129.43(12) . . . . ?
C22B C26B C27B C54B -6.80(17) . . . . ?
Sc3B C26B C27B C54B 59.04(15) . . . . ?
C25B C26B C27B C28B -12.53(16) . . . . ?
C22B C26B C27B C28B -148.76(11) . . . . ?
Sc3B C26B C27B C28B -82.92(14) . . . . ?
C54B C27B C28B C48B 6.75(15) . . . . ?
C26B C27B C28B C48B 152.80(11) . . . . ?
C54B C27B C28B C29B -138.02(12) . . . . ?
C26B C27B C28B C29B 8.02(17) . . . . ?
C27B C28B C29B C30B 4.22(16) . . . . ?
C48B C28B C29B C30B -135.73(12) . . . . ?
C27B C28B C29B C34B 158.37(11) . . . . ?
C48B C28B C29B C34B 18.41(17) . . . . ?
C27B C28B C29B Sc2B 95.66(13) . . . . ?
C48B C28B C29B Sc2B -44.30(15) . . . . ?
C24B C25B C30B C29B 147.90(10) . . . . ?
C26B C25B C30B C29B 7.28(14) . . . . ?
Sc3B C25B C30B C29B 83.96(17) . . . . ?
C24B C25B C30B C31B -7.24(14) . . . . ?
C26B C25B C30B C31B -147.86(10) . . . . ?
Sc3B C25B C30B C31B -71.17(17) . . . . ?
C24B C25B C30B Sc2B 72.44(18) . . . . ?
C26B C25B C30B Sc2B -68.18(18) . . . . ?
Sc3B C25B C30B Sc2B 8.5(2) . . . . ?
C28B C29B C30B C25B -11.62(14) . . . . ?
C34B C29B C30B C25B -165.12(10) . . . . ?
Sc2B C29B C30B C25B -113.48(13) . . . . ?
C28B C29B C30B C31B 143.23(11) . . . . ?
C34B C29B C30B C31B -10.27(16) . . . . ?
Sc2B C29B C30B C31B 41.36(14) . . . . ?
C28B C29B C30B Sc2B 101.87(14) . . . . ?
C34B C29B C30B Sc2B -51.63(13) . . . . ?
C25B C30B C31B C65B 11.30(14) . . . . ?
C29B C30B C31B C65B -143.60(11) . . . . ?
Sc2B C30B C31B C65B -103.58(12) . . . . ?
C25B C30B C31B C32B 165.14(10) . . . . ?
C29B C30B C31B C32B 10.24(16) . . . . ?
Sc2B C30B C31B C32B 50.26(11) . . . . ?
C25B C30B C31B Sc2B 114.88(11) . . . . ?
C29B C30B C31B Sc2B -40.02(12) . . . . ?
C65B C31B C32B C62B 19.62(16) . . . . ?
C30B C31B C32B C62B -134.66(11) . . . . ?
Sc2B C31B C32B C62B -74.56(17) . . . . ?
C65B C31B C32B C33B 156.01(11) . . . . ?
C30B C31B C32B C33B 1.72(17) . . . . ?
Sc2B C31B C32B C33B 61.83(17) . . . . ?
C65B C31B C32B Sc2B 94.18(17) . . . . ?
C30B C31B C32B Sc2B -60.11(17) . . . . ?
C62B C32B C33B C37B 2.14(14) . . . . ?
C31B C32B C33B C37B -138.96(11) . . . . ?
Sc2B C32B C33B C37B -67.58(17) . . . . ?
C62B C32B C33B C34B 127.21(11) . . . . ?
C31B C32B C33B C34B -13.89(16) . . . . ?
Sc2B C32B C33B C34B 57.49(17) . . . . ?
C62B C32B C33B Sc2B 69.72(17) . . . . ?
C31B C32B C33B Sc2B -71.38(18) . . . . ?
C37B C33B C34B C35B -1.66(14) . . . . ?
C32B C33B C34B C35B -126.67(11) . . . . ?
Sc2B C33B C34B C35B -67.01(12) . . . . ?
C37B C33B C34B C29B 138.84(11) . . . . ?
C32B C33B C34B C29B 13.83(16) . . . . ?
Sc2B C33B C34B C29B 73.49(13) . . . . ?
C37B C33B C34B Sc2B 65.35(12) . . . . ?
C32B C33B C34B Sc2B -59.66(13) . . . . ?
C28B C29B C34B C35B -19.66(16) . . . . ?
C30B C29B C34B C35B 134.25(11) . . . . ?
Sc2B C29B C34B C35B 69.93(17) . . . . ?
C28B C29B C34B C33B -155.51(11) . . . . ?
C30B C29B C34B C33B -1.60(17) . . . . ?
Sc2B C29B C34B C33B -65.92(17) . . . . ?
C28B C29B C34B Sc2B -89.59(17) . . . . ?
C30B C29B C34B Sc2B 64.32(17) . . . . ?
C33B C34B C35B C36B 3.08(14) . . . . ?
C29B C34B C35B C36B -137.58(11) . . . . ?
Sc2B C34B C35B C36B -61.74(17) . . . . ?
C33B C34B C35B C47B 147.54(11) . . . . ?
C29B C34B C35B C47B 6.89(16) . . . . ?
Sc2B C34B C35B C47B 82.73(18) . . . . ?
C33B C34B C35B Sc2B 64.81(17) . . . . ?
C29B C34B C35B Sc2B -75.85(18) . . . . ?
C34B C35B C36B C37B -3.30(14) . . . . ?
C47B C35B C36B C37B -147.77(11) . . . . ?
Sc2B C35B C36B C37B -62.67(13) . . . . ?
C34B C35B C36B C41B 137.82(11) . . . . ?
C47B C35B C36B C41B -6.65(16) . . . . ?
Sc2B C35B C36B C41B 78.45(13) . . . . ?
C34B C35B C36B Sc2B 59.37(13) . . . . ?
C47B C35B C36B Sc2B -85.10(14) . . . . ?
C34B C33B C37B C38B -131.65(11) . . . . ?
C32B C33B C37B C38B 0.29(13) . . . . ?
Sc2B C33B C37B C38B -68.26(19) . . . . ?
C34B C33B C37B C36B -0.36(14) . . . . ?
C32B C33B C37B C36B 131.58(11) . . . . ?
Sc2B C33B C37B C36B 63.04(19) . . . . ?
C34B C33B C37B Sc2B -63.40(19) . . . . ?
C32B C33B C37B Sc2B 68.55(19) . . . . ?
C35B C36B C37B C33B 2.25(14) . . . . ?
C41B C36B C37B C33B -138.77(11) . . . . ?
Sc2B C36B C37B C33B -60.96(15) . . . . ?
C35B C36B C37B C38B 126.71(11) . . . . ?
C41B C36B C37B C38B -14.31(16) . . . . ?
Sc2B C36B C37B C38B 63.50(16) . . . . ?
C35B C36B C37B Sc2B 63.21(16) . . . . ?
C41B C36B C37B Sc2B -77.81(16) . . . . ?
C33B C37B C38B C62B -2.61(13) . . . . ?
C36B C37B C38B C62B -127.03(11) . . . . ?
Sc2B C37B C38B C62B -65.79(12) . . . . ?
C33B C37B C38B C39B 138.78(11) . . . . ?
C36B C37B C38B C39B 14.36(16) . . . . ?
Sc2B C37B C38B C39B 75.60(13) . . . . ?
C33B C37B C38B Sc2B 63.18(11) . . . . ?
C36B C37B C38B Sc2B -61.24(12) . . . . ?
C62B C38B C39B C61B -19.18(16) . . . . ?
C37B C38B C39B C61B -156.00(12) . . . . ?
Sc2B C38B C39B C61B -92.33(15) . . . . ?
C62B C38B C39B C40B 134.80(12) . . . . ?
C37B C38B C39B C40B -2.01(17) . . . . ?
Sc2B C38B C39B C40B 61.66(16) . . . . ?
C62B C38B C39B Sc2B 73.14(14) . . . . ?
C37B C38B C39B Sc2B -63.67(14) . . . . ?
C4B C3B C40B C41B -8.9(2) . . . . ?
C2B C3B C40B C41B -147.25(12) . . . . ?
Sc1B C3B C40B C41B -76.9(2) . . . . ?
C4B C3B C40B C39B 147.04(12) . . . . ?
C2B C3B C40B C39B 8.7(2) . . . . ?
Sc1B C3B C40B C39B 79.1(2) . . . . ?
C61B C39B C40B C3B -12.33(19) . . . . ?
C38B C39B C40B C3B -165.93(12) . . . . ?
Sc2B C39B C40B C3B -116.17(14) . . . . ?
C61B C39B C40B C41B 143.42(13) . . . . ?
C38B C39B C40B C41B -10.18(19) . . . . ?
Sc2B C39B C40B C41B 39.58(14) . . . . ?
C35B C36B C41B C42B 19.54(16) . . . . ?
C37B C36B C41B C42B 155.92(12) . . . . ?
Sc2B C36B C41B C42B 88.24(19) . . . . ?
C35B C36B C41B C40B -134.48(12) . . . . ?
C37B C36B C41B C40B 1.89(17) . . . . ?
Sc2B C36B C41B C40B -65.8(2) . . . . ?
C35B C36B C41B Sc2B -68.70(19) . . . . ?
C37B C36B C41B Sc2B 67.67(19) . . . . ?
C3B C40B C41B C42B 12.34(19) . . . . ?
C39B C40B C41B C42B -143.36(12) . . . . ?
C3B C40B C41B C36B 165.93(12) . . . . ?
C39B C40B C41B C36B 10.23(19) . . . . ?
C3B C40B C41B Sc2B 114.78(15) . . . . ?
C39B C40B C41B Sc2B -40.92(15) . . . . ?
C36B C41B C42B C43B -158.48(12) . . . . ?
C40B C41B C42B C43B -4.17(18) . . . . ?
Sc2B C41B C42B C43B -97.75(15) . . . . ?
C36B C41B C42B C46B -18.75(18) . . . . ?
C40B C41B C42B C46B 135.55(14) . . . . ?
Sc2B C41B C42B C46B 41.97(17) . . . . ?
C46B C42B C43B C44B -5.90(15) . . . . ?
C41B C42B C43B C44B 138.59(12) . . . . ?
C46B C42B C43B C4B -152.40(12) . . . . ?
C41B C42B C43B C4B -7.91(19) . . . . ?
C46B C42B C43B Sc1B -89.4(2) . . . . ?
C41B C42B C43B Sc1B 55.0(2) . . . . ?
C3B C4B C43B C42B 11.58(17) . . . . ?
C5B C4B C43B C42B 148.82(11) . . . . ?
Sc1B C4B C43B C42B 83.30(17) . . . . ?
C3B C4B C43B C44B -130.87(11) . . . . ?
C5B C4B C43B C44B 6.38(15) . . . . ?
Sc1B C4B C43B C44B -59.14(16) . . . . ?
C3B C4B C43B Sc1B -71.73(16) . . . . ?
C5B C4B C43B Sc1B 65.52(16) . . . . ?
C42B C43B C44B C45B 4.42(14) . . . . ?
C4B C43B C44B C45B 150.73(11) . . . . ?
Sc1B C43B C44B C45B 100.32(14) . . . . ?
C42B C43B C44B C56B -139.70(11) . . . . ?
C4B C43B C44B C56B 6.61(15) . . . . ?
Sc1B C43B C44B C56B -43.80(13) . . . . ?
C42B C43B C44B Sc1B -95.90(14) . . . . ?
C4B C43B C44B Sc1B 50.41(13) . . . . ?
C43B C44B C45B C46B -1.22(15) . . . . ?
C56B C44B C45B C46B 142.18(11) . . . . ?
Sc1B C44B C45B C46B 71.89(16) . . . . ?
C43B C44B C45B C50B -145.62(13) . . . . ?
C56B C44B C45B C50B -2.23(19) . . . . ?
Sc1B C44B C45B C50B -72.51(17) . . . . ?
C43B C42B C46B C45B 5.09(16) . . . . ?
C41B C42B C46B C45B -139.30(13) . . . . ?
C43B C42B C46B C47B 149.19(12) . . . . ?
C41B C42B C46B C47B 4.8(2) . . . . ?
C44B C45B C46B C42B -2.41(17) . . . . ?
C50B C45B C46B C42B 142.09(14) . . . . ?
C44B C45B C46B C47B -146.35(12) . . . . ?
C50B C45B C46B C47B -1.9(2) . . . . ?
C42B C46B C47B C35B 8.73(19) . . . . ?
C45B C46B C47B C35B 148.29(13) . . . . ?
C42B C46B C47B C48B -147.20(13) . . . . ?
C45B C46B C47B C48B -7.65(19) . . . . ?
C42B C46B C47B Sc2B -45.89(16) . . . . ?
C45B C46B C47B Sc2B 93.66(15) . . . . ?
C36B C35B C47B C46B -7.67(17) . . . . ?
C34B C35B C47B C46B -148.05(12) . . . . ?
Sc2B C35B C47B C46B -80.07(14) . . . . ?
C36B C35B C47B C48B 148.13(11) . . . . ?
C34B C35B C47B C48B 7.75(16) . . . . ?
Sc2B C35B C47B C48B 75.74(14) . . . . ?
C36B C35B C47B Sc2B 72.39(14) . . . . ?
C34B C35B C47B Sc2B -67.99(14) . . . . ?
C27B C28B C48B C49B -5.67(15) . . . . ?
C29B C28B C48B C49B 138.92(13) . . . . ?
C27B C28B C48B C47B -148.67(12) . . . . ?
C29B C28B C48B C47B -4.08(19) . . . . ?
C46B C47B C48B C28B 146.61(12) . . . . ?
C35B C47B C48B C28B -9.31(18) . . . . ?
Sc2B C47B C48B C28B 43.52(14) . . . . ?
C46B C47B C48B C49B 8.24(19) . . . . ?
C35B C47B C48B C49B -147.68(13) . . . . ?
Sc2B C47B C48B C49B -94.85(14) . . . . ?
C28B C48B C49B C54B 2.51(17) . . . . ?
C47B C48B C49B C54B 145.40(13) . . . . ?
C28B C48B C49B C50B -142.22(14) . . . . ?
C47B C48B C49B C50B 0.7(2) . . . . ?
C54B C49B C50B C45B -150.63(15) . . . . ?
C48B C49B C50B C45B -10.2(2) . . . . ?
C54B C49B C50B C51B 3.1(2) . . . . ?
C48B C49B C50B C51B 143.59(15) . . . . ?
C44B C45B C50B C49B 150.79(14) . . . . ?
C46B C45B C50B C49B 10.8(2) . . . . ?
C44B C45B C50B C51B -3.0(2) . . . . ?
C46B C45B C50B C51B -143.07(15) . . . . ?
C49B C50B C51B C52B -6.0(2) . . . . ?
C45B C50B C51B C52B 147.84(15) . . . . ?
C49B C50B C51B C55B -147.25(15) . . . . ?
C45B C50B C51B C55B 6.6(2) . . . . ?
C55B C51B C52B C14B 4.05(18) . . . . ?
C50B C51B C52B C14B -141.45(15) . . . . ?
C55B C51B C52B C53B 150.04(14) . . . . ?
C50B C51B C52B C53B 4.5(2) . . . . ?
C13B C14B C52B C51B -2.48(18) . . . . ?
C15B C14B C52B C51B 141.02(14) . . . . ?
C13B C14B C52B C53B -148.39(14) . . . . ?
C15B C14B C52B C53B -4.9(2) . . . . ?
C22B C21B C53B C54B 1.62(17) . . . . ?
C20B C21B C53B C54B -134.90(13) . . . . ?
Sc3B C21B C53B C54B -69.12(15) . . . . ?
C22B C21B C53B C52B 153.18(12) . . . . ?
C20B C21B C53B C52B 16.66(18) . . . . ?
Sc3B C21B C53B C52B 82.44(15) . . . . ?
C22B C21B C53B Sc3B 70.75(14) . . . . ?
C20B C21B C53B Sc3B -65.78(14) . . . . ?
C51B C52B C53B C54B -0.3(2) . . . . ?
C14B C52B C53B C54B 141.39(15) . . . . ?
C51B C52B C53B C21B -152.09(14) . . . . ?
C14B C52B C53B C21B -10.4(2) . . . . ?
C51B C52B C53B Sc3B -92.59(17) . . . . ?
C14B C52B C53B Sc3B 49.05(17) . . . . ?
C48B C49B C54B C27B 1.65(17) . . . . ?
C50B C49B C54B C27B 146.49(14) . . . . ?
C48B C49B C54B C53B -143.72(14) . . . . ?
C50B C49B C54B C53B 1.1(2) . . . . ?
C28B C27B C54B C49B -5.22(17) . . . . ?
C26B C27B C54B C49B -151.19(13) . . . . ?
C28B C27B C54B C53B 140.63(13) . . . . ?
C26B C27B C54B C53B -5.3(2) . . . . ?
C21B C53B C54B C49B 148.96(14) . . . . ?
C52B C53B C54B C49B -2.6(2) . . . . ?
Sc3B C53B C54B C49B 95.36(16) . . . . ?
C21B C53B C54B C27B 7.9(2) . . . . ?
C52B C53B C54B C27B -143.64(13) . . . . ?
Sc3B C53B C54B C27B -45.67(15) . . . . ?
C52B C51B C55B C13B -4.06(18) . . . . ?
C50B C51B C55B C13B 141.47(15) . . . . ?
C52B C51B C55B C56B -150.35(13) . . . . ?
C50B C51B C55B C56B -4.8(2) . . . . ?
C14B C13B C55B C51B 2.50(18) . . . . ?
C12B C13B C55B C51B -141.28(15) . . . . ?
C14B C13B C55B C56B 148.80(13) . . . . ?
C12B C13B C55B C56B 5.0(2) . . . . ?
C5B C6B C56B C44B -1.68(14) . . . . ?
C7B C6B C56B C44B 135.70(10) . . . . ?
Sc1B C6B C56B C44B 65.76(15) . . . . ?
C5B C6B C56B C55B -153.71(11) . . . . ?
C7B C6B C56B C55B -16.33(15) . . . . ?
Sc1B C6B C56B C55B -86.28(16) . . . . ?
C5B C6B C56B Sc1B -67.44(15) . . . . ?
C7B C6B C56B Sc1B 69.94(15) . . . . ?
C43B C44B C56B C6B -8.94(14) . . . . ?
C45B C44B C56B C6B -148.02(11) . . . . ?
Sc1B C44B C56B C6B -54.48(14) . . . . ?
C43B C44B C56B C55B 143.11(11) . . . . ?
C45B C44B C56B C55B 4.03(16) . . . . ?
Sc1B C44B C56B C55B 97.57(15) . . . . ?
C43B C44B C56B Sc1B 45.54(14) . . . . ?
C45B C44B C56B Sc1B -93.54(15) . . . . ?
C51B C55B C56B C6B 151.91(13) . . . . ?
C13B C55B C56B C6B 9.98(18) . . . . ?
C51B C55B C56B C44B -0.47(18) . . . . ?
C13B C55B C56B C44B -142.40(13) . . . . ?
C51B C55B C56B Sc1B 88.0(2) . . . . ?
C13B C55B C56B Sc1B -53.9(2) . . . . ?
C1B C2B C57B C58B -6.41(15) . . . . ?
C3B C2B C57B C58B 130.68(12) . . . . ?
Sc1B C2B C57B C58B 59.82(17) . . . . ?
C1B C2B C57B C61B -148.14(12) . . . . ?
C3B C2B C57B C61B -11.06(17) . . . . ?
Sc1B C2B C57B C61B -81.92(17) . . . . ?
C1B C2B C57B Sc1B -66.23(16) . . . . ?
C3B C2B C57B Sc1B 70.85(16) . . . . ?
C61B C57B C58B C59B -4.74(15) . . . . ?
C2B C57B C58B C59B -150.46(11) . . . . ?
Sc1B C57B C58B C59B -100.42(13) . . . . ?
C61B C57B C58B C9B 139.25(11) . . . . ?
C2B C57B C58B C9B -6.47(16) . . . . ?
Sc1B C57B C58B C9B 43.57(13) . . . . ?
C10B C9B C58B C57B -142.98(11) . . . . ?
C8B C9B C58B C57B 9.13(16) . . . . ?
Sc1B C9B C58B C57B -45.19(13) . . . . ?
C10B C9B C58B C59B -3.85(17) . . . . ?
C8B C9B C58B C59B 148.25(11) . . . . ?
Sc1B C9B C58B C59B 93.93(14) . . . . ?
C57B C58B C59B C60B 1.12(16) . . . . ?
C9B C58B C59B C60B -142.58(12) . . . . ?
C57B C58B C59B C69B 146.14(13) . . . . ?
C9B C58B C59B C69B 2.4(2) . . . . ?
C58B C59B C60B C61B 2.91(17) . . . . ?
C69B C59B C60B C61B -142.09(14) . . . . ?
C58B C59B C60B C63B 146.59(14) . . . . ?
C69B C59B C60B C63B 1.6(2) . . . . ?
C59B C60B C61B C57B -5.79(17) . . . . ?
C63B C60B C61B C57B -149.62(13) . . . . ?
C59B C60B C61B C39B 139.34(13) . . . . ?
C63B C60B C61B C39B -4.5(2) . . . . ?
C58B C57B C61B C60B 6.54(15) . . . . ?
C2B C57B C61B C60B 152.42(12) . . . . ?
Sc1B C57B C61B C60B 91.00(16) . . . . ?
C58B C57B C61B C39B -138.68(13) . . . . ?
C2B C57B C61B C39B 7.20(19) . . . . ?
Sc1B C57B C61B C39B -54.21(17) . . . . ?
C38B C39B C61B C60B 18.40(19) . . . . ?
C40B C39B C61B C60B -135.83(14) . . . . ?
Sc2B C39B C61B C60B -44.78(17) . . . . ?
C38B C39B C61B C57B 158.85(12) . . . . ?
C40B C39B C61B C57B 4.62(19) . . . . ?
Sc2B C39B C61B C57B 95.67(15) . . . . ?
C37B C38B C62B C32B 3.96(14) . . . . ?
C39B C38B C62B C32B -137.59(11) . . . . ?
Sc2B C38B C62B C32B -56.61(13) . . . . ?
C37B C38B C62B C63B 147.89(11) . . . . ?
C39B C38B C62B C63B 6.34(16) . . . . ?
Sc2B C38B C62B C63B 87.32(15) . . . . ?
C37B C38B C62B Sc2B 60.57(13) . . . . ?
C39B C38B C62B Sc2B -80.98(13) . . . . ?
C33B C32B C62B C38B -3.77(14) . . . . ?
C31B C32B C62B C38B 137.41(11) . . . . ?
Sc2B C32B C62B C38B 58.78(12) . . . . ?
C33B C32B C62B C63B -147.72(11) . . . . ?
C31B C32B C62B C63B -6.53(16) . . . . ?
Sc2B C32B C62B C63B -85.16(13) . . . . ?
C33B C32B C62B Sc2B -62.56(11) . . . . ?
C31B C32B C62B Sc2B 78.63(13) . . . . ?
C38B C62B C63B C64B -147.90(12) . . . . ?
C32B C62B C63B C64B -8.08(18) . . . . ?
Sc2B C62B C63B C64B -75.92(15) . . . . ?
C38B C62B C63B C60B 7.85(19) . . . . ?
C32B C62B C63B C60B 147.66(13) . . . . ?
Sc2B C62B C63B C60B 79.83(15) . . . . ?
C61B C60B C63B C64B 146.98(14) . . . . ?
C59B C60B C63B C64B 7.7(2) . . . . ?
C61B C60B C63B C62B -8.9(2) . . . . ?
C59B C60B C63B C62B -148.24(14) . . . . ?
C62B C63B C64B C65B 9.2(2) . . . . ?
C60B C63B C64B C65B -146.67(14) . . . . ?
C62B C63B C64B C68B 148.38(13) . . . . ?
C60B C63B C64B C68B -7.5(2) . . . . ?
C68B C64B C65B C66B 5.47(15) . . . . ?
C63B C64B C65B C66B 149.27(12) . . . . ?
C68B C64B C65B C31B -139.27(12) . . . . ?
C63B C64B C65B C31B 4.53(19) . . . . ?
C32B C31B C65B C66B -158.82(11) . . . . ?
C30B C31B C65B C66B -4.32(16) . . . . ?
Sc2B C31B C65B C66B -93.33(16) . . . . ?
C32B C31B C65B C64B -18.77(17) . . . . ?
C30B C31B C65B C64B 135.73(11) . . . . ?
Sc2B C31B C65B C64B 46.72(18) . . . . ?
C64B C65B C66B C67B -6.39(13) . . . . ?
C31B C65B C66B C67B 138.36(11) . . . . ?
C64B C65B C66B C24B -151.87(11) . . . . ?
C31B C65B C66B C24B -7.13(16) . . . . ?
C64B C65B C66B Sc3B -85.66(16) . . . . ?
C31B C65B C66B Sc3B 59.08(16) . . . . ?
C25B C24B C66B C65B 11.38(14) . . . . ?
C23B C24B C66B C65B 148.33(11) . . . . ?
Sc3B C24B C66B C65B 86.62(14) . . . . ?
C25B C24B C66B C67B -130.00(11) . . . . ?
C23B C24B C66B C67B 6.95(16) . . . . ?
Sc3B C24B C66B C67B -54.76(14) . . . . ?
C25B C24B C66B Sc3B -75.24(13) . . . . ?
C23B C24B C66B Sc3B 61.71(14) . . . . ?
C65B C66B C67B C68B 4.84(13) . . . . ?
C24B C66B C67B C68B 150.20(11) . . . . ?
Sc3B C66B C67B C68B 100.94(12) . . . . ?
C65B C66B C67B C18B -138.40(11) . . . . ?
C24B C66B C67B C18B 6.95(16) . . . . ?
Sc3B C66B C67B C18B -42.31(13) . . . . ?
C65B C66B C67B Sc3B -96.09(12) . . . . ?
C24B C66B C67B Sc3B 49.26(13) . . . . ?
C17B C18B C67B C68B 5.34(18) . . . . ?
C19B C18B C67B C68B -149.27(12) . . . . ?
Sc3B C18B C67B C68B -92.41(14) . . . . ?
C17B C18B C67B C66B 143.70(12) . . . . ?
C19B C18B C67B C66B -10.91(17) . . . . ?
Sc3B C18B C67B C66B 45.95(14) . . . . ?
C17B C18B C67B Sc3B 97.76(15) . . . . ?
C19B C18B C67B Sc3B -56.86(13) . . . . ?
C66B C67B C68B C64B -1.40(14) . . . . ?
C18B C67B C68B C64B 141.43(12) . . . . ?
Sc3B C67B C68B C64B 74.10(14) . . . . ?
C66B C67B C68B C69B -145.52(13) . . . . ?
C18B C67B C68B C69B -2.69(19) . . . . ?
Sc3B C67B C68B C69B -70.02(16) . . . . ?
C65B C64B C68B C67B -2.52(15) . . . . ?
C63B C64B C68B C67B -146.08(13) . . . . ?
C65B C64B C68B C69B 141.57(13) . . . . ?
C63B C64B C68B C69B -2.0(2) . . . . ?
C67B C68B C69B C59B 150.85(13) . . . . ?
C64B C68B C69B C59B 11.2(2) . . . . ?
C67B C68B C69B C70B -3.4(2) . . . . ?
C64B C68B C69B C70B -143.07(14) . . . . ?
C58B C59B C69B C68B -151.67(14) . . . . ?
C60B C59B C69B C68B -11.0(2) . . . . ?
C58B C59B C69B C70B 2.6(2) . . . . ?
C60B C59B C69B C70B 143.32(14) . . . . ?
C16B C17B C70B C10B -3.94(17) . . . . ?
C18B C17B C70B C10B -149.51(13) . . . . ?
C16B C17B C70B C69B 141.29(14) . . . . ?
C18B C17B C70B C69B -4.3(2) . . . . ?
C11B C10B C70B C17B 4.03(17) . . . . ?
C9B C10B C70B C17B 150.20(13) . . . . ?
C11B C10B C70B C69B -141.18(14) . . . . ?
C9B C10B C70B C69B 5.0(2) . . . . ?
C68B C69B C70B C17B 6.9(2) . . . . ?
C59B C69B C70B C17B -147.26(14) . . . . ?
C68B C69B C70B C10B 147.82(14) . . . . ?
C59B C69B C70B C10B -6.3(2) . . . . ?
C3S C1S C2S C3S -0.8(8) . . . 3_756 ?
C2S C1S C3S C2S 0.8(8) . . . 3_756 ?
C9S C4S C5S C6S 0.8(5) . . . . ?
C10S C4S C5S C6S -177.2(4) . . . . ?
C4S C5S C6S C7S -0.9(5) . . . . ?
C5S C6S C7S C8S 0.8(5) . . . . ?
C6S C7S C8S C9S -0.8(5) . . . . ?
C5S C4S C9S C8S -0.8(5) . . . . ?
C10S C4S C9S C8S 177.2(4) . . . . ?
C7S C8S C9S C4S 0.7(5) . . . . ?
C4P N1P C1P C20P -178.25(15) . . . . ?
Ni1P N1P C1P C20P -1.0(2) . . . . ?
C4P N1P C1P C2P -0.42(16) . . . . ?
Ni1P N1P C1P C2P 176.88(10) . . . . ?
C20P C1P C2P C3P 177.79(15) . . . . ?
N1P C1P C2P C3P -0.07(16) . . . . ?
C20P C1P C2P C21P 0.9(2) . . . . ?
N1P C1P C2P C21P -176.99(13) . . . . ?
C1P C2P C3P C4P 0.52(15) . . . . ?
C21P C2P C3P C4P 177.25(14) . . . . ?
C1P C2P C3P C23P -176.14(16) . . . . ?
C21P C2P C3P C23P 0.6(3) . . . . ?
C1P N1P C4P C5P 178.84(14) . . . . ?
Ni1P N1P C4P C5P 1.5(2) . . . . ?
C1P N1P C4P C3P 0.75(15) . . . . ?
Ni1P N1P C4P C3P -176.57(10) . . . . ?
C2P C3P C4P C5P -178.94(14) . . . . ?
C23P C3P C4P C5P -2.1(2) . . . . ?
C2P C3P C4P N1P -0.82(16) . . . . ?
C23P C3P C4P N1P 176.00(15) . . . . ?
N1P C4P C5P C6P -2.6(2) . . . . ?
C3P C4P C5P C6P 175.23(14) . . . . ?
C9P N2P C6P C5P -179.19(14) . . . . ?
Ni1P N2P C6P C5P -1.3(2) . . . . ?
C9P N2P C6P C7P -0.96(16) . . . . ?
Ni1P N2P C6P C7P 176.93(10) . . . . ?
C4P C5P C6P N2P 2.5(2) . . . . ?
C4P C5P C6P C7P -175.51(15) . . . . ?
N2P C6P C7P C8P 0.09(17) . . . . ?
C5P C6P C7P C8P 178.37(14) . . . . ?
N2P C6P C7P C25P -176.73(16) . . . . ?
C5P C6P C7P C25P 1.5(2) . . . . ?
C6P C7P C8P C9P 0.79(16) . . . . ?
C25P C7P C8P C9P 177.43(18) . . . . ?
C6P C7P C8P C27P -174.80(17) . . . . ?
C25P C7P C8P C27P 1.8(3) . . . . ?
C6P N2P C9P C10P -179.56(16) . . . . ?
Ni1P N2P C9P C10P 2.6(2) . . . . ?
C6P N2P C9P C8P 1.47(16) . . . . ?
Ni1P N2P C9P C8P -176.41(11) . . . . ?
C7P C8P C9P C10P 179.56(16) . . . . ?
C27P C8P C9P C10P -4.7(3) . . . . ?
C7P C8P C9P N2P -1.46(17) . . . . ?
C27P C8P C9P N2P 174.29(16) . . . . ?
N2P C9P C10P C11P -2.7(3) . . . . ?
C8P C9P C10P C11P 176.13(17) . . . . ?
C9P C10P C11P N3P 0.8(3) . . . . ?
C9P C10P C11P C12P -177.17(16) . . . . ?
C14P N3P C11P C10P -177.86(16) . . . . ?
Ni1P N3P C11P C10P 1.1(2) . . . . ?
C14P N3P C11P C12P 0.35(17) . . . . ?
Ni1P N3P C11P C12P 179.34(10) . . . . ?
C10P C11P C12P C13P 177.90(17) . . . . ?
N3P C11P C12P C13P -0.32(17) . . . . ?
C10P C11P C12P C29P 0.8(3) . . . . ?
N3P C11P C12P C29P -177.42(15) . . . . ?
C11P C12P C13P C14P 0.14(16) . . . . ?
C29P C12P C13P C14P 177.18(15) . . . . ?
C11P C12P C13P C31P -177.48(17) . . . . ?
C29P C12P C13P C31P -0.4(3) . . . . ?
C11P N3P C14P C15P 178.96(15) . . . . ?
Ni1P N3P C14P C15P 0.0(2) . . . . ?
C11P N3P C14P C13P -0.26(17) . . . . ?
Ni1P N3P C14P C13P -179.26(10) . . . . ?
C12P C13P C14P C15P -179.17(15) . . . . ?
C31P C13P C14P C15P -1.4(2) . . . . ?
C12P C13P C14P N3P 0.08(18) . . . . ?
C31P C13P C14P N3P 177.84(15) . . . . ?
N3P C14P C15P C16P -1.5(3) . . . . ?
C13P C14P C15P C16P 177.67(15) . . . . ?
C14P C15P C16P N4P 2.1(2) . . . . ?
C14P C15P C16P C17P -177.12(15) . . . . ?
C19P N4P C16P C15P -179.86(15) . . . . ?
Ni1P N4P C16P C15P -1.2(2) . . . . ?
C19P N4P C16P C17P -0.56(16) . . . . ?
Ni1P N4P C16P C17P 178.10(10) . . . . ?
C15P C16P C17P C18P 179.63(14) . . . . ?
N4P C16P C17P C18P 0.33(17) . . . . ?
C15P C16P C17P C33P 1.8(2) . . . . ?
N4P C16P C17P C33P -177.50(15) . . . . ?
C16P C17P C18P C19P 0.05(16) . . . . ?
C33P C17P C18P C19P 177.76(17) . . . . ?
C16P C17P C18P C35P -175.99(14) . . . . ?
C33P C17P C18P C35P 1.7(3) . . . . ?
C16P N4P C19P C20P 179.65(15) . . . . ?
Ni1P N4P C19P C20P 1.0(2) . . . . ?
C16P N4P C19P C18P 0.60(16) . . . . ?
Ni1P N4P C19P C18P -178.07(10) . . . . ?
C17P C18P C19P C20P -179.49(15) . . . . ?
C35P C18P C19P C20P -3.2(2) . . . . ?
C17P C18P C19P N4P -0.41(17) . . . . ?
C35P C18P C19P N4P 175.89(13) . . . . ?
N1P C1P C20P C19P 1.9(3) . . . . ?
C2P C1P C20P C19P -175.67(16) . . . . ?
N4P C19P C20P C1P -1.9(3) . . . . ?
C18P C19P C20P C1P 177.01(15) . . . . ?
C3P C2P C21P C22P -94.8(2) . . . . ?
C1P C2P C21P C22P 81.4(2) . . . . ?
C2P C3P C23P C24P 95.3(2) . . . . ?
C4P C3P C23P C24P -80.8(2) . . . . ?
C8P C7P C25P C26P -102.4(3) . . . . ?
C6P C7P C25P C26P 73.7(3) . . . . ?
C7P C8P C27P C28P 94.5(3) . . . . ?
C9P C8P C27P C28P -80.4(3) . . . . ?
C13P C12P C29P C30P -81.1(4) . . . . ?
C11P C12P C29P C30P 95.4(4) . . . . ?
C12P C13P C31P C32P 103.7(2) . . . . ?
C14P C13P C31P C32P -73.5(3) . . . . ?
C18P C17P C33P C34P -92.5(2) . . . . ?
C16P C17P C33P C34P 84.8(2) . . . . ?
C17P C18P C35P C36P 99.2(2) . . . . ?
C19P C18P C35P C36P -76.2(2) . . . . ?
C4Q N1Q C1Q C20Q -178.4(2) . . . . ?
Ni1Q N1Q C1Q C20Q -1.2(3) . . . . ?
C4Q N1Q C1Q C2Q -0.3(2) . . . . ?
Ni1Q N1Q C1Q C2Q 176.88(13) . . . . ?
C20Q C1Q C2Q C3Q 178.8(2) . . . . ?
N1Q C1Q C2Q C3Q 0.7(2) . . . . ?
C20Q C1Q C2Q C21Q 2.0(3) . . . . ?
N1Q C1Q C2Q C21Q -176.07(17) . . . . ?
C1Q C2Q C3Q C4Q -0.78(19) . . . . ?
C21Q C2Q C3Q C4Q 175.82(18) . . . . ?
C1Q C2Q C3Q C23Q -177.5(2) . . . . ?
C21Q C2Q C3Q C23Q -0.9(3) . . . . ?
C1Q N1Q C4Q C5Q 178.45(19) . . . . ?
Ni1Q N1Q C4Q C5Q 1.2(3) . . . . ?
C1Q N1Q C4Q C3Q -0.2(2) . . . . ?
Ni1Q N1Q C4Q C3Q -177.39(14) . . . . ?
C2Q C3Q C4Q C5Q -178.01(19) . . . . ?
C23Q C3Q C4Q C5Q -1.2(3) . . . . ?
C2Q C3Q C4Q N1Q 0.6(2) . . . . ?
C23Q C3Q C4Q N1Q 177.49(19) . . . . ?
N1Q C4Q C5Q C6Q -2.0(3) . . . . ?
C3Q C4Q C5Q C6Q 176.5(2) . . . . ?
C9Q N2Q C6Q C5Q 179.5(2) . . . . ?
Ni1Q N2Q C6Q C5Q -1.9(3) . . . . ?
C9Q N2Q C6Q C7Q 1.3(2) . . . . ?
Ni1Q N2Q C6Q C7Q 179.81(15) . . . . ?
C4Q C5Q C6Q N2Q 2.4(4) . . . . ?
C4Q C5Q C6Q C7Q -179.6(2) . . . . ?
N2Q C6Q C7Q C8Q -0.8(2) . . . . ?
C5Q C6Q C7Q C8Q -179.1(2) . . . . ?
N2Q C6Q C7Q C25Q -177.7(2) . . . . ?
C5Q C6Q C7Q C25Q 4.0(3) . . . . ?
C6Q C7Q C8Q C9Q -0.1(2) . . . . ?
C25Q C7Q C8Q C9Q 176.7(2) . . . . ?
C6Q C7Q C8Q C27Q -175.7(2) . . . . ?
C25Q C7Q C8Q C27Q 1.1(3) . . . . ?
C6Q N2Q C9Q C10Q 178.4(2) . . . . ?
Ni1Q N2Q C9Q C10Q -0.2(3) . . . . ?
C6Q N2Q C9Q C8Q -1.3(2) . . . . ?
Ni1Q N2Q C9Q C8Q -179.84(15) . . . . ?
C7Q C8Q C9Q C10Q -178.8(2) . . . . ?
C27Q C8Q C9Q C10Q -3.0(3) . . . . ?
C7Q C8Q C9Q N2Q 0.9(2) . . . . ?
C27Q C8Q C9Q N2Q 176.7(2) . . . . ?
N2Q C9Q C10Q C11Q -2.0(4) . . . . ?
C8Q C9Q C10Q C11Q 177.7(2) . . . . ?
C9Q C10Q C11Q N3Q 2.9(3) . . . . ?
C9Q C10Q C11Q C12Q -174.6(3) . . . . ?
C14Q N3Q C11Q C10Q -179.42(18) . . . . ?
Ni1Q N3Q C11Q C10Q -1.6(3) . . . . ?
C14Q N3Q C11Q C12Q -1.7(2) . . . . ?
Ni1Q N3Q C11Q C12Q 176.18(14) . . . . ?
C10Q C11Q C12Q C13Q 178.9(2) . . . . ?
N3Q C11Q C12Q C13Q 1.1(2) . . . . ?
C10Q C11Q C12Q C29Q -4.2(3) . . . . ?
N3Q C11Q C12Q C29Q 178.05(18) . . . . ?
C11Q C12Q C13Q C14Q -0.1(2) . . . . ?
C29Q C12Q C13Q C14Q -176.9(2) . . . . ?
C11Q C12Q C13Q C31Q -177.5(2) . . . . ?
C29Q C12Q C13Q C31Q 5.6(3) . . . . ?
C11Q N3Q C14Q C15Q 179.80(18) . . . . ?
Ni1Q N3Q C14Q C15Q 1.9(3) . . . . ?
C11Q N3Q C14Q C13Q 1.65(19) . . . . ?
Ni1Q N3Q C14Q C13Q -176.23(15) . . . . ?
C12Q C13Q C14Q C15Q -179.22(18) . . . . ?
C31Q C13Q C14Q C15Q -1.6(3) . . . . ?
C12Q C13Q C14Q N3Q -1.0(2) . . . . ?
C31Q C13Q C14Q N3Q 176.60(19) . . . . ?
N3Q C14Q C15Q C16Q -2.9(3) . . . . ?
C13Q C14Q C15Q C16Q 175.0(2) . . . . ?
C14Q C15Q C16Q N4Q 1.9(3) . . . . ?
C14Q C15Q C16Q C17Q -176.55(19) . . . . ?
C19Q N4Q C16Q C15Q -179.5(2) . . . . ?
Ni1Q N4Q C16Q C15Q 0.1(3) . . . . ?
C19Q N4Q C16Q C17Q -0.9(2) . . . . ?
Ni1Q N4Q C16Q C17Q 178.68(15) . . . . ?
C15Q C16Q C17Q C18Q 179.78(19) . . . . ?
N4Q C16Q C17Q C18Q 1.2(2) . . . . ?
C15Q C16Q C17Q C33Q 2.0(3) . . . . ?
N4Q C16Q C17Q C33Q -176.6(2) . . . . ?
C16Q C17Q C18Q C19Q -0.9(2) . . . . ?
C33Q C17Q C18Q C19Q 176.8(2) . . . . ?
C16Q C17Q C18Q C35Q -177.06(18) . . . . ?
C33Q C17Q C18Q C35Q 0.6(3) . . . . ?
C16Q N4Q C19Q C20Q 179.2(2) . . . . ?
Ni1Q N4Q C19Q C20Q -0.3(3) . . . . ?
C16Q N4Q C19Q C18Q 0.3(2) . . . . ?
Ni1Q N4Q C19Q C18Q -179.28(14) . . . . ?
C17Q C18Q C19Q C20Q -178.6(2) . . . . ?
C35Q C18Q C19Q C20Q -2.2(3) . . . . ?
C17Q C18Q C19Q N4Q 0.5(2) . . . . ?
C35Q C18Q C19Q N4Q 176.85(18) . . . . ?
N1Q C1Q C20Q C19Q 1.6(4) . . . . ?
C2Q C1Q C20Q C19Q -176.3(2) . . . . ?
N4Q C19Q C20Q C1Q -0.8(4) . . . . ?
C18Q C19Q C20Q C1Q 178.0(2) . . . . ?
C3Q C2Q C21Q C22Q -98.9(6) . . . . ?
C1Q C2Q C21Q C22Q 77.2(6) . . . . ?
C2Q C3Q C23Q C24Q 96.1(3) . . . . ?
C4Q C3Q C23Q C24Q -80.1(4) . . . . ?
C8Q C7Q C25Q C26Q -103.6(6) . . . . ?
C6Q C7Q C25Q C26Q 72.7(6) . . . . ?
C7Q C8Q C27Q C28Q 76.7(6) . . . . ?
C9Q C8Q C27Q C28Q -98.2(6) . . . . ?
C13Q C12Q C29Q C30Q -105.8(6) . . . . ?
C11Q C12Q C29Q C30Q 77.9(7) . . . . ?
C12Q C13Q C31Q C32Q 106.7(9) . . . . ?
C14Q C13Q C31Q C32Q -70.3(9) . . . . ?
C18Q C17Q C33Q C34Q -91.8(4) . . . . ?
C16Q C17Q C33Q C34Q 85.5(4) . . . . ?
C17Q C18Q C35Q C36Q 98.5(7) . . . . ?
C19Q C18Q C35Q C36Q -77.0(7) . . . . ?

_refine_diff_density_max         1.177
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.109



####################################################################### 
# 
# 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@c70_2_80k
_database_code_depnum_ccdc_archive 'CCDC 2362045'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Nanjing Normal University
China
;
_audit_update_record             
;
2024-07-30 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_sc3n@c70_2_80k      
;
PROBLEM: measured_fraction_theta_full value Low
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility.
;
_vrf_PLAT088_sc3n@c70_2_80k      
;
PROBLEM: Poor Data / Parameter Ratio
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility and the disorder model.
;
_vrf_THETM01_sc3n@c70_2_80k      
;
PROBLEM: Low value of sine(theta_max)/wavelength
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility.
;
_vrf_PLAT911_sc3n@c70_2_80k      
;
PROBLEM: Missing FCF reflections
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C2v(7854)-C70/NiOEP/0.5(C6H6)/C7H8;
_chemical_formula_sum            'C116 H55 N5 Ni Sc3'
_chemical_formula_weight         1712.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0057 0.0027 '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 0.0106 0.0055 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2388 1.6742 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3237 0.5780 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.260(3)
_cell_length_b                   16.460(3)
_cell_length_c                   25.790(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.30(3)
_cell_angle_gamma                90
_cell_volume                     7032(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    80(2)
_cell_measurement_reflns_used    54965
_cell_measurement_theta_min      1.548
_cell_measurement_theta_max      30.164

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_F_000             3508
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    1.126
_shelx_estimated_absorpt_T_min   0.896
_shelx_estimated_absorpt_T_max   0.935
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      80(2)
_diffrn_radiation_wavelength     0.895
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.3'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            54965
_diffrn_reflns_av_unetI/netI     0.0842
_diffrn_reflns_av_R_equivalents  0.1243
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.548
_diffrn_reflns_theta_max         30.164
_diffrn_reflns_theta_full        30.164
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measured_fraction_theta_full 0.926
_diffrn_reflns_Laue_measured_fraction_max 0.926
_diffrn_reflns_Laue_measured_fraction_full 0.926
_diffrn_reflns_point_group_measured_fraction_max 0.926
_diffrn_reflns_point_group_measured_fraction_full 0.926
_reflns_number_total             9665
_reflns_number_gt                9139
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1551P)²+21.5177P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.00074(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         9665
_refine_ls_number_parameters     2177
_refine_ls_number_restraints     3537
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0858
_refine_ls_wR_factor_ref         0.2419
_refine_ls_wR_factor_gt          0.2363
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.063
_refine_ls_shift/su_mean         0.003

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 0.44993(9) 0.46234(8) 0.84950(6) 0.0222(4) Uani 0.744(3) 1 d . . P A 1
Sc2A Sc 0.35827(7) 0.44067(7) 0.72462(4) 0.0212(4) Uani 0.744(3) 1 d . . P A 1
Sc3A Sc 0.22387(10) 0.51835(9) 0.77287(7) 0.0236(4) Uani 0.744(3) 1 d . . P A 1
N1A N 0.3414(6) 0.4788(5) 0.7936(4) 0.0150(18) Uani 0.744(3) 1 d . U P A 1
C1A C 0.58217(8) 0.47961(7) 0.90691(5) 0.0366(18) Uani 0.744(3) 1 d D U P A 1
C2A C 0.59142(8) 0.47953(7) 0.85334(4) 0.043(2) Uani 0.744(3) 1 d D U P A 1
C3A C 0.57047(9) 0.40051(7) 0.83028(4) 0.0393(18) Uani 0.744(3) 1 d D U P A 1
C4A C 0.54897(8) 0.35163(7) 0.87009(4) 0.0365(16) Uani 0.744(3) 1 d D U P A 1
C5A C 0.55581(8) 0.40043(7) 0.91725(5) 0.0379(17) Uani 0.744(3) 1 d D U P A 1
C6A C 0.48699(7) 0.40977(7) 0.93749(5) 0.0290(15) Uani 0.744(3) 1 d D U P A 1
C7A C 0.47470(6) 0.49518(7) 0.94350(5) 0.0292(17) Uani 0.744(3) 1 d D U P A 1
C8A C 0.52996(7) 0.53828(7) 0.92099(5) 0.0322(16) Uani 0.744(3) 1 d D U P A 1
C9A C 0.50163(7) 0.60693(7) 0.88598(5) 0.0343(16) Uani 0.744(3) 1 d D U P A 1
C10A C 0.42733(7) 0.64556(10) 0.88801(6) 0.0354(17) Uani 0.744(3) 1 d D U P A 1
C11A C 0.37528(7) 0.60699(9) 0.91457(7) 0.0328(17) Uani 0.744(3) 1 d D U P A 1
C12A C 0.39442(7) 0.52622(9) 0.93694(9) 0.0344(16) Uani 0.744(3) 1 d D U P A 1
C13A C 0.32891(8) 0.46822(8) 0.93267(8) 0.0349(17) Uani 0.744(3) 1 d D U P A 1
C14A C 0.24835(8) 0.48925(8) 0.90450(7) 0.046(3) Uani 0.744(3) 1 d D U P A 1
C15A C 0.22950(8) 0.56940(7) 0.88006(4) 0.043(2) Uani 0.744(3) 1 d D U P A 1
C16A C 0.29432(7) 0.62824(9) 0.88647(7) 0.0401(19) Uani 0.744(3) 1 d D U P A 1
C17A C 0.29680(7) 0.67989(11) 0.84260(5) 0.0400(19) Uani 0.744(3) 1 d D U P A 1
C18A C 0.23272(7) 0.67683(8) 0.79213(4) 0.044(2) Uani 0.744(3) 1 d D U P A 1
C19A C 0.15871(9) 0.63497(8) 0.79164(4) 0.0399(19) Uani 0.744(3) 1 d D U P A 1
C20A C 0.15842(9) 0.57756(8) 0.83379(4) 0.0406(19) Uani 0.744(3) 1 d D U P A 1
C21A C 0.11567(9) 0.50613(7) 0.80866(4) 0.043(2) Uani 0.744(3) 1 d D U P A 1
C22A C 0.08191(9) 0.52324(7) 0.75211(4) 0.0414(18) Uani 0.744(3) 1 d D U P A 1
C23A C 0.10827(8) 0.60260(8) 0.74165(4) 0.0427(19) Uani 0.744(3) 1 d D U P A 1
C24A C 0.13927(8) 0.59686(7) 0.69548(4) 0.0386(18) Uani 0.744(3) 1 d D U P A 1
C25A C 0.13265(7) 0.51392(6) 0.67738(4) 0.0376(18) Uani 0.744(3) 1 d D U P A 1
C26A C 0.09671(8) 0.46860(6) 0.71228(4) 0.0337(16) Uani 0.744(3) 1 d D U P A 1
C27A C 0.12505(9) 0.38772(9) 0.72870(5) 0.043(2) Uani 0.744(3) 1 d D U P A 1
C28A C 0.17740(8) 0.34747(9) 0.70346(5) 0.0379(18) Uani 0.744(3) 1 d D U P A 1
C29A C 0.21206(6) 0.39096(7) 0.66614(6) 0.0310(16) Uani 0.744(3) 1 d D U P A 1
C30A C 0.19570(5) 0.47762(7) 0.65744(6) 0.0312(16) Uani 0.744(3) 1 d D U P A 1
C31A C 0.25856(6) 0.53062(6) 0.64773(6) 0.0315(15) Uani 0.744(3) 1 d D U P A 1
C32A C 0.33035(6) 0.49478(6) 0.63790(6) 0.0395(19) Uani 0.744(3) 1 d D U P A 1
C33A C 0.33794(6) 0.40729(7) 0.63627(6) 0.0352(16) Uani 0.744(3) 1 d D U P A 1
C34A C 0.28435(6) 0.35597(7) 0.65601(6) 0.0364(17) Uani 0.744(3) 1 d D U P A 1
C35A C 0.33360(6) 0.30106(7) 0.69508(5) 0.045(2) Uani 0.744(3) 1 d D U P A 1
C36A C 0.41698(6) 0.32148(7) 0.70232(5) 0.0406(18) Uani 0.744(3) 1 d D U P A 1
C37A C 0.41964(6) 0.38606(7) 0.66472(6) 0.0418(18) Uani 0.744(3) 1 d D U P A 1
C38A C 0.46301(6) 0.46032(6) 0.68417(5) 0.0425(18) Uani 0.744(3) 1 d D U P A 1
C39A C 0.51842(7) 0.46325(7) 0.73874(5) 0.0404(18) Uani 0.744(3) 1 d D U P A 1
C40A C 0.52726(12) 0.39194(9) 0.77372(5) 0.0435(19) Uani 0.744(3) 1 d D U P A 1
C41A C 0.47220(7) 0.32351(8) 0.75710(4) 0.0396(19) Uani 0.744(3) 1 d D U P A 1
C42A C 0.44901(8) 0.27714(11) 0.79816(5) 0.0381(17) Uani 0.744(3) 1 d D U P A 1
C43A C 0.48339(7) 0.29498(7) 0.85371(4) 0.0386(17) Uani 0.744(3) 1 d D U P A 1
C44A C 0.42083(7) 0.29476(11) 0.87942(5) 0.0358(18) Uani 0.744(3) 1 d D U P A 1
C45A C 0.34891(7) 0.26844(12) 0.84101(5) 0.0412(19) Uani 0.744(3) 1 d D U P A 1
C46A C 0.36674(7) 0.25576(12) 0.79094(5) 0.0427(19) Uani 0.744(3) 1 d D U P A 1
C47A C 0.30698(7) 0.27423(12) 0.74053(5) 0.043(2) Uani 0.744(3) 1 d D U P A 1
C48A C 0.22544(8) 0.29284(10) 0.74167(5) 0.043(2) Uani 0.744(3) 1 d D U P A 1
C49A C 0.20799(8) 0.30545(11) 0.79169(5) 0.047(2) Uani 0.744(3) 1 d D U P A 1
C50A C 0.27174(9) 0.30150(12) 0.84183(5) 0.0400(19) Uani 0.744(3) 1 d D U P A 1
C51A C 0.26863(9) 0.35655(10) 0.88549(6) 0.0333(17) Uani 0.744(3) 1 d D U P A 1
C52A C 0.21069(10) 0.41916(9) 0.87672(6) 0.044(2) Uani 0.744(3) 1 d D U P A 1
C53A C 0.14892(8) 0.42629(7) 0.82514(4) 0.0413(19) Uani 0.744(3) 1 d D U P A 1
C54A C 0.14730(10) 0.36558(10) 0.78387(5) 0.043(2) Uani 0.744(3) 1 d D U P A 1
C55A C 0.34042(8) 0.38556(9) 0.92179(7) 0.0352(17) Uani 0.744(3) 1 d D U P A 1
C56A C 0.41878(6) 0.35675(7) 0.91862(5) 0.0371(17) Uani 0.744(3) 1 d D U P A 1
C57A C 0.56825(8) 0.55051(6) 0.82020(4) 0.0411(19) Uani 0.744(3) 1 d D U P A 1
C58A C 0.52756(9) 0.61527(9) 0.83737(5) 0.0342(16) Uani 0.744(3) 1 d D U P A 1
C59A C 0.47660(8) 0.65252(10) 0.79064(4) 0.0352(17) Uani 0.744(3) 1 d D U P A 1
C60A C 0.48407(9) 0.60895(9) 0.74476(5) 0.0403(18) Uani 0.744(3) 1 d D U P A 1
C61A C 0.53691(10) 0.54259(8) 0.76334(5) 0.0397(18) Uani 0.744(3) 1 d D U P A 1
C62A C 0.40864(6) 0.52715(6) 0.66535(6) 0.0402(18) Uani 0.744(3) 1 d D U P A 1
C63A C 0.41497(8) 0.59960(9) 0.69780(6) 0.0349(16) Uani 0.744(3) 1 d D U P A 1
C64A C 0.34297(7) 0.64582(10) 0.69532(5) 0.0377(18) Uani 0.744(3) 1 d D U P A 1
C65A C 0.26568(7) 0.61337(9) 0.66834(6) 0.0392(18) Uani 0.744(3) 1 d D U P A 1
C66A C 0.20965(7) 0.64404(7) 0.69481(4) 0.0373(18) Uani 0.744(3) 1 d D U P A 1
C67A C 0.25343(6) 0.68708(8) 0.74171(4) 0.0365(17) Uani 0.744(3) 1 d D U P A 1
C68A C 0.33584(7) 0.68989(12) 0.74135(5) 0.0386(18) Uani 0.744(3) 1 d D U P A 1
C69A C 0.39971(7) 0.68611(12) 0.79148(5) 0.0395(18) Uani 0.744(3) 1 d D U P A 1
C70A C 0.37867(7) 0.68730(11) 0.84223(5) 0.0388(18) Uani 0.744(3) 1 d D U P A 1
Sc1B Sc 0.4502(4) 0.5142(8) 0.8460(3) 0.105(4) Uani 0.256(3) 1 d . . P A 2
Sc2B Sc 0.3515(3) 0.5289(6) 0.7207(2) 0.089(3) Uani 0.256(3) 1 d . . P A 2
Sc3B Sc 0.2194(4) 0.4732(8) 0.7781(3) 0.088(3) Uani 0.256(3) 1 d . . P A 2
N1B N 0.3409(19) 0.5024(14) 0.7926(13) 0.017(7) Uani 0.256(3) 1 d . U P A 2
C1B C 0.56063(8) 0.57327(7) 0.91195(5) 0.122(9) Uani 0.256(3) 1 d D U P A 2
C2B C 0.55237(8) 0.62089(7) 0.86412(4) 0.130(9) Uani 0.256(3) 1 d D U P A 2
C3B C 0.57047(9) 0.57030(7) 0.82379(4) 0.122(9) Uani 0.256(3) 1 d D U P A 2
C4B C 0.59067(8) 0.49142(7) 0.84716(4) 0.105(9) Uani 0.256(3) 1 d D U P A 2
C5B C 0.58427(8) 0.49307(7) 0.90142(5) 0.100(8) Uani 0.256(3) 1 d D U P A 2
C6B C 0.53177(7) 0.43649(7) 0.91703(5) 0.105(8) Uani 0.256(3) 1 d D U P A 2
C7B C 0.47957(6) 0.48174(7) 0.94106(5) 0.105(9) Uani 0.256(3) 1 d D U P A 2
C8B C 0.49363(7) 0.56656(7) 0.93439(5) 0.102(8) Uani 0.256(3) 1 d D U P A 2
C9B C 0.42580(6) 0.62097(7) 0.91636(5) 0.115(9) Uani 0.256(3) 1 d D U P A 2
C10B C 0.34855(7) 0.59470(8) 0.92179(7) 0.086(8) Uani 0.256(3) 1 d D U P A 2
C11B C 0.33580(7) 0.51206(7) 0.93337(8) 0.079(7) Uani 0.256(3) 1 d D U P A 2
C12B C 0.39912(7) 0.45279(9) 0.93656(9) 0.084(7) Uani 0.256(3) 1 d D U P A 2
C13B C 0.37709(7) 0.37142(9) 0.91489(8) 0.066(7) Uani 0.256(3) 1 d D U P A 2
C14B C 0.29538(8) 0.35209(9) 0.88854(7) 0.079(7) Uani 0.256(3) 1 d D U P A 2
C15B C 0.23200(8) 0.41273(7) 0.88336(4) 0.081(7) Uani 0.256(3) 1 d D U P A 2
C16B C 0.25368(8) 0.49256(8) 0.90711(7) 0.073(9) Uani 0.256(3) 1 d D U P A 2
C17B C 0.21608(9) 0.56339(8) 0.87936(6) 0.071(7) Uani 0.256(3) 1 d D U P A 2
C18B C 0.15325(8) 0.55616(7) 0.82851(4) 0.089(8) Uani 0.256(3) 1 d D U P A 2
C19B C 0.11731(9) 0.47704(7) 0.81334(4) 0.084(7) Uani 0.256(3) 1 d D U P A 2
C20B C 0.15911(10) 0.40511(7) 0.83838(4) 0.078(7) Uani 0.256(3) 1 d D U P A 2
C21B C 0.15572(9) 0.34630(7) 0.79636(4) 0.085(7) Uani 0.256(3) 1 d D U P A 2
C22B C 0.10423(9) 0.37839(7) 0.74674(4) 0.115(9) Uani 0.256(3) 1 d D U P A 2
C23B C 0.08046(9) 0.45880(7) 0.75720(4) 0.096(7) Uani 0.256(3) 1 d D U P A 2
C24B C 0.09418(8) 0.51182(7) 0.71631(4) 0.105(8) Uani 0.256(3) 1 d D U P A 2
C25B C 0.12690(8) 0.46458(6) 0.68057(4) 0.121(9) Uani 0.256(3) 1 d D U P A 2
C26B C 0.13260(8) 0.38197(7) 0.69930(4) 0.107(9) Uani 0.256(3) 1 d D U P A 2
C27B C 0.20142(8) 0.33355(9) 0.69772(5) 0.105(8) Uani 0.256(3) 1 d D U P A 2
C28B C 0.25573(7) 0.36154(9) 0.66939(6) 0.113(9) Uani 0.256(3) 1 d D U P A 2
C29B C 0.24928(6) 0.44387(6) 0.64797(6) 0.115(8) Uani 0.256(3) 1 d D U P A 2
C30B C 0.18902(5) 0.49853(7) 0.65869(6) 0.111(8) Uani 0.256(3) 1 d D U P A 2
C31B C 0.20754(6) 0.58546(7) 0.66639(6) 0.098(7) Uani 0.256(3) 1 d D U P A 2
C32B C 0.27914(6) 0.61793(7) 0.65437(6) 0.103(8) Uani 0.256(3) 1 d D U P A 2
C33B C 0.33003(6) 0.56466(7) 0.63350(6) 0.094(7) Uani 0.256(3) 1 d D U P A 2
C34B C 0.32074(6) 0.47751(6) 0.63590(6) 0.106(8) Uani 0.256(3) 1 d D U P A 2
C35B C 0.39886(6) 0.44374(6) 0.66220(6) 0.101(7) Uani 0.256(3) 1 d D U P A 2
C36B C 0.45518(6) 0.50946(6) 0.67926(5) 0.098(8) Uani 0.256(3) 1 d D U P A 2
C37B C 0.41281(6) 0.58440(7) 0.66014(6) 0.104(7) Uani 0.256(3) 1 d D U P A 2
C38B C 0.41357(6) 0.64995(7) 0.69770(5) 0.110(8) Uani 0.256(3) 1 d D U P A 2
C39B C 0.47092(7) 0.64797(7) 0.75161(5) 0.124(9) Uani 0.256(3) 1 d D U P A 2
C40B C 0.52496(12) 0.57835(9) 0.76764(5) 0.121(9) Uani 0.256(3) 1 d D U P A 2
C41B C 0.51291(7) 0.50656(7) 0.73315(5) 0.091(8) Uani 0.256(3) 1 d D U P A 2
C42B C 0.53085(10) 0.42726(8) 0.75811(5) 0.084(7) Uani 0.256(3) 1 d D U P A 2
C43B C 0.56438(8) 0.42024(6) 0.81484(4) 0.084(7) Uani 0.256(3) 1 d D U P A 2
C44B C 0.52329(9) 0.35722(9) 0.83366(5) 0.113(8) Uani 0.256(3) 1 d D U P A 2
C45B C 0.46993(9) 0.31941(11) 0.78786(5) 0.104(8) Uani 0.256(3) 1 d D U P A 2
C46B C 0.47590(9) 0.36163(10) 0.74093(5) 0.089(7) Uani 0.256(3) 1 d D U P A 2
C47B C 0.40526(8) 0.37204(9) 0.69534(6) 0.105(8) Uani 0.256(3) 1 d D U P A 2
C48B C 0.33252(7) 0.32779(10) 0.69489(5) 0.106(8) Uani 0.256(3) 1 d D U P A 2
C49B C 0.32687(7) 0.28581(12) 0.74178(5) 0.106(8) Uani 0.256(3) 1 d D U P A 2
C50B C 0.39300(8) 0.28828(13) 0.79072(5) 0.101(8) Uani 0.256(3) 1 d D U P A 2
C51B C 0.37460(8) 0.29007(12) 0.84254(6) 0.102(8) Uani 0.256(3) 1 d D U P A 2
C52B C 0.29448(8) 0.29974(12) 0.84480(6) 0.105(8) Uani 0.256(3) 1 d D U P A 2
C53B C 0.22784(7) 0.30192(8) 0.79543(4) 0.091(8) Uani 0.256(3) 1 d D U P A 2
C54B C 0.24618(8) 0.29117(12) 0.74415(5) 0.076(7) Uani 0.256(3) 1 d D U P A 2
C55B C 0.42585(8) 0.33126(10) 0.88703(6) 0.090(8) Uani 0.256(3) 1 d D U P A 2
C56B C 0.50082(7) 0.36792(7) 0.88309(5) 0.110(8) Uani 0.256(3) 1 d D U P A 2
C57B C 0.48788(7) 0.67901(7) 0.84868(4) 0.132(9) Uani 0.256(3) 1 d D U P A 2
C58B C 0.42756(7) 0.68201(10) 0.87611(5) 0.125(9) Uani 0.256(3) 1 d D U P A 2
C59B C 0.35507(7) 0.70845(11) 0.83874(5) 0.122(9) Uani 0.256(3) 1 d D U P A 2
C60B C 0.37024(7) 0.71923(12) 0.78783(5) 0.121(9) Uani 0.256(3) 1 d D U P A 2
C61B C 0.45118(8) 0.69591(11) 0.79324(5) 0.123(9) Uani 0.256(3) 1 d D U P A 2
C62B C 0.33113(6) 0.67272(7) 0.69207(5) 0.117(9) Uani 0.256(3) 1 d D U P A 2
C63B C 0.30779(7) 0.70153(12) 0.73837(5) 0.125(9) Uani 0.256(3) 1 d D U P A 2
C64B C 0.22708(8) 0.68549(10) 0.74161(5) 0.106(8) Uani 0.256(3) 1 d D U P A 2
C65B C 0.17604(8) 0.63098(9) 0.70438(5) 0.102(8) Uani 0.256(3) 1 d D U P A 2
C66B C 0.12420(8) 0.59297(6) 0.73138(4) 0.101(8) Uani 0.256(3) 1 d D U P A 2
C67B C 0.14944(8) 0.61630(6) 0.78668(4) 0.109(9) Uani 0.256(3) 1 d D U P A 2
C68B C 0.21195(8) 0.67518(11) 0.79279(5) 0.093(8) Uani 0.256(3) 1 d D U P A 2
C69B C 0.27808(8) 0.67785(11) 0.84176(5) 0.101(8) Uani 0.256(3) 1 d D U P A 2
C70B C 0.27578(8) 0.62505(9) 0.88647(6) 0.072(7) Uani 0.256(3) 1 d D U P A 2
C1S C 0.9166(7) 0.0029(4) 0.4925(4) 0.082(3) Uani 1 1 d . . . B 3
H1S H 0.859870 0.004424 0.486960 0.098 Uiso 1 1 calc R U . B 3
C2S C 0.9658(8) -0.0197(5) 0.5400(5) 0.086(3) Uani 1 1 d . . . B 3
H2S H 0.943174 -0.032887 0.568507 0.103 Uiso 1 1 calc R U . B 3
C3S C 0.9508(9) 0.0246(5) 0.4506(5) 0.097(3) Uani 1 1 d . . . B 3
H3S H 0.917416 0.042303 0.416597 0.117 Uiso 1 1 calc R U . B 3
C4S C 0.7047(4) 0.4740(4) 0.7151(4) 0.062(2) Uani 1 1 d . . . C 3
C5S C 0.6785(4) 0.5491(4) 0.6931(4) 0.063(2) Uani 1 1 d . . . C 3
H5S H 0.698073 0.597587 0.712363 0.076 Uiso 1 1 calc R U . C 3
C6S C 0.6210(5) 0.5525(4) 0.6404(3) 0.062(2) Uani 1 1 d . . . C 3
H6S H 0.601143 0.603340 0.624688 0.074 Uiso 1 1 calc R U . C 3
C7S C 0.5955(5) 0.4822(4) 0.6134(3) 0.061(2) Uani 1 1 d . . . C 3
H7S H 0.558856 0.484559 0.578182 0.073 Uiso 1 1 calc R U . C 3
C8S C 0.6217(5) 0.4073(4) 0.6359(3) 0.0609(19) Uani 1 1 d . . . C 3
H8S H 0.602057 0.358607 0.616921 0.073 Uiso 1 1 calc R U . C 3
C9S C 0.6777(4) 0.4043(4) 0.6873(3) 0.063(2) Uani 1 1 d . . . C 3
H9S H 0.697007 0.353274 0.702751 0.076 Uiso 1 1 calc R U . C 3
C10S C 0.7637(6) 0.4723(6) 0.7733(5) 0.097(3) Uani 1 1 d . . . C 3
H10A H 0.759213 0.523316 0.791784 0.145 Uiso 1 1 calc R U . C 3
H10B H 0.819181 0.465725 0.771180 0.145 Uiso 1 1 calc R U . C 3
H10C H 0.749822 0.426699 0.793438 0.145 Uiso 1 1 calc R U . C 3
Ni1P Ni 0.08645(3) 0.48069(4) 0.54974(2) 0.0135(3) Uani 0.8729(19) 1 d D . P D
4
N1P N 0.01772(9) 0.56186(8) 0.57085(8) 0.0153(9) Uani 0.8729(19) 1 d D . P D 4
N2P N 0.15076(9) 0.56763(8) 0.53024(8) 0.0175(9) Uani 0.8729(19) 1 d D . P D 4
N3P N 0.15692(9) 0.39928(8) 0.53090(8) 0.0170(9) Uani 0.8729(19) 1 d D . P D 4
N4P N 0.02576(9) 0.39371(8) 0.57309(8) 0.0163(9) Uani 0.8729(19) 1 d D . P D 4
C1P C -0.04561(11) 0.54906(9) 0.59322(9) 0.0163(10) Uani 0.8729(19) 1 d D . P D
4
C2P C -0.07869(10) 0.62456(10) 0.60571(8) 0.0191(11) Uani 0.8729(19) 1 d D . P
D 4
C3P C -0.03561(11) 0.68426(9) 0.59135(9) 0.0203(11) Uani 0.8729(19) 1 d D . P D
4
C4P C 0.02417(10) 0.64585(10) 0.56938(9) 0.0164(10) Uani 0.8729(19) 1 d D . P D
4
C5P C 0.08039(10) 0.68689(13) 0.55125(9) 0.0207(11) Uani 0.8729(19) 1 d D . P D
4
H5P H 0.077906 0.744552 0.550696 0.025 Uiso 0.8729(19) 1 calc R U P D 4
C6P C 0.14023(10) 0.65050(10) 0.53378(9) 0.0204(11) Uani 0.8729(19) 1 d D . P D
4
C7P C 0.20259(11) 0.69503(9) 0.51778(10) 0.0270(12) Uani 0.8729(19) 1 d D . P D
4
C8P C 0.25131(9) 0.63880(10) 0.50470(10) 0.0274(12) Uani 0.8729(19) 1 d D . P D
4
C9P C 0.21845(11) 0.55960(9) 0.51152(10) 0.0212(11) Uani 0.8729(19) 1 d D . P D
4
C10P C 0.25120(14) 0.48708(9) 0.50182(12) 0.0235(12) Uani 0.8729(19) 1 d D . P
D 4
H10P H 0.296431 0.489141 0.487717 0.028 Uiso 0.8729(19) 1 calc R U P D 4
C11P C 0.22334(11) 0.41172(9) 0.51104(10) 0.0203(11) Uani 0.8729(19) 1 d D . P
D 4
C12P C 0.25950(10) 0.33541(10) 0.50290(9) 0.0237(12) Uani 0.8729(19) 1 d D . P
D 4
C13P C 0.21661(11) 0.27561(9) 0.51830(9) 0.0200(11) Uani 0.8729(19) 1 d D . P D
4
C14P C 0.15294(10) 0.31593(10) 0.53522(9) 0.0182(11) Uani 0.8729(19) 1 d D . P
D 4
C15P C 0.09768(10) 0.27407(13) 0.55444(9) 0.0187(11) Uani 0.8729(19) 1 d D . P
D 4
H15P H 0.100475 0.216427 0.555155 0.022 Uiso 0.8729(19) 1 calc R U P D 4
C16P C 0.03854(10) 0.31081(9) 0.57272(9) 0.0171(10) Uani 0.8729(19) 1 d D . P D
4
C17P C -0.01752(11) 0.26634(9) 0.59487(9) 0.0206(11) Uani 0.8729(19) 1 d D . P
D 4
C18P C -0.06486(10) 0.32325(10) 0.60870(8) 0.0195(11) Uani 0.8729(19) 1 d D . P
D 4
C19P C -0.03832(11) 0.40159(9) 0.59501(10) 0.0161(10) Uani 0.8729(19) 1 d D . P
D 4
C20P C -0.07200(14) 0.47388(9) 0.60375(12) 0.0177(11) Uani 0.8729(19) 1 d D . P
D 4
H20P H -0.116932 0.471778 0.618158 0.021 Uiso 0.8729(19) 1 calc R U P D 4
C21P C -0.14523(13) 0.6312(2) 0.63271(9) 0.0235(12) Uani 0.8729(19) 1 d D . P D
4
H21A H -0.186254 0.588889 0.617916 0.028 Uiso 0.8729(19) 1 calc R U P D 4
H21B H -0.171705 0.684828 0.624195 0.028 Uiso 0.8729(19) 1 calc R U P D 4
C22P C -0.1147(2) 0.6214(3) 0.69409(9) 0.0271(12) Uani 0.8729(19) 1 d D . P D 4
H22A H -0.091953 0.566919 0.702828 0.041 Uiso 0.8729(19) 1 calc R U P D 4
H22B H -0.159603 0.629031 0.709887 0.041 Uiso 0.8729(19) 1 calc R U P D 4
H22C H -0.072863 0.662149 0.708880 0.041 Uiso 0.8729(19) 1 calc R U P D 4
C23P C -0.0412(2) 0.77497(11) 0.59849(13) 0.0258(12) Uani 0.8729(19) 1 d D . P
D 4
H23A H -0.096448 0.788905 0.599793 0.031 Uiso 0.8729(19) 1 calc R U P D 4
H23B H -0.031513 0.802974 0.566917 0.031 Uiso 0.8729(19) 1 calc R U P D 4
C24P C 0.0199(3) 0.8055(2) 0.65019(14) 0.0335(13) Uani 0.8729(19) 1 d D . P D 4
H24A H 0.074797 0.794511 0.648202 0.050 Uiso 0.8729(19) 1 calc R U P D 4
H24B H 0.011009 0.777381 0.681520 0.050 Uiso 0.8729(19) 1 calc R U P D 4
H24C H 0.012936 0.864107 0.653860 0.050 Uiso 0.8729(19) 1 calc R U P D 4
C25P C 0.2105(2) 0.78590(11) 0.51994(12) 0.0396(15) Uani 0.8729(19) 1 d D . P D
4
H25A H 0.156963 0.810456 0.503104 0.047 Uiso 0.8729(19) 1 calc R U P D 4
H25B H 0.247286 0.802905 0.498629 0.047 Uiso 0.8729(19) 1 calc R U P D 4
C26P C 0.2433(4) 0.8184(2) 0.57844(13) 0.0526(19) Uani 0.8729(19) 1 d D . P D 4
H26A H 0.245981 0.877892 0.577737 0.079 Uiso 0.8729(19) 1 calc R U P D 4
H26B H 0.297381 0.796383 0.594750 0.079 Uiso 0.8729(19) 1 calc R U P D 4
H26C H 0.207198 0.801635 0.599798 0.079 Uiso 0.8729(19) 1 calc R U P D 4
C27P C 0.32878(12) 0.6529(2) 0.48963(12) 0.0460(17) Uani 0.8729(19) 1 d D . P D
4
H27A H 0.327613 0.707879 0.473799 0.055 Uiso 0.8729(19) 1 calc R U P D 4
H27B H 0.332771 0.612874 0.461863 0.055 Uiso 0.8729(19) 1 calc R U P D 4
C28P C 0.40298(16) 0.6454(6) 0.53850(19) 0.067(2) Uani 0.8729(19) 1 d D . P D 4
H28A H 0.451803 0.655990 0.527317 0.100 Uiso 0.8729(19) 1 calc R U P D 4
H28B H 0.405487 0.590359 0.553413 0.100 Uiso 0.8729(19) 1 calc R U P D 4
H28C H 0.399192 0.684915 0.566093 0.100 Uiso 0.8729(19) 1 calc R U P D 4
C29P C 0.33408(12) 0.3267(2) 0.48396(11) 0.0343(14) Uani 0.8729(19) 1 d D . P D
4
H29A H 0.339439 0.375282 0.462612 0.041 Uiso 0.8729(19) 1 calc R U P D 4
H29B H 0.327718 0.278831 0.459869 0.041 Uiso 0.8729(19) 1 calc R U P D 4
C30P C 0.41032(16) 0.3169(7) 0.5298(2) 0.090(4) Uani 0.8729(19) 1 d D . P D 4
H30A H 0.455157 0.302436 0.515240 0.135 Uiso 0.8729(19) 1 calc R U P D 4
H30B H 0.402617 0.273750 0.554118 0.135 Uiso 0.8729(19) 1 calc R U P D 4
H30C H 0.422624 0.368039 0.549881 0.135 Uiso 0.8729(19) 1 calc R U P D 4
C31P C 0.2303(2) 0.18480(11) 0.52028(12) 0.0298(13) Uani 0.8729(19) 1 d D . P D
4
H31A H 0.266802 0.171169 0.498028 0.036 Uiso 0.8729(19) 1 calc R U P D 4
H31B H 0.178076 0.157279 0.504095 0.036 Uiso 0.8729(19) 1 calc R U P D 4
C32P C 0.2669(4) 0.1517(2) 0.57794(13) 0.0443(16) Uani 0.8729(19) 1 d D . P D 4
H32A H 0.276884 0.093318 0.576265 0.067 Uiso 0.8729(19) 1 calc R U P D 4
H32B H 0.229209 0.161186 0.599505 0.067 Uiso 0.8729(19) 1 calc R U P D 4
H32C H 0.317936 0.179719 0.594668 0.067 Uiso 0.8729(19) 1 calc R U P D 4
C33P C -0.0176(2) 0.17551(11) 0.60215(13) 0.0271(12) Uani 0.8729(19) 1 d D . P
D 4
H33A H -0.003607 0.149062 0.571478 0.033 Uiso 0.8729(19) 1 calc R U P D 4
H33B H -0.072510 0.157600 0.601695 0.033 Uiso 0.8729(19) 1 calc R U P D 4
C34P C 0.0424(3) 0.1481(2) 0.65515(14) 0.0409(16) Uani 0.8729(19) 1 d D . P D 4
H34A H 0.097210 0.163870 0.655204 0.061 Uiso 0.8729(19) 1 calc R U P D 4
H34B H 0.039694 0.088933 0.658477 0.061 Uiso 0.8729(19) 1 calc R U P D 4
H34C H 0.028765 0.173985 0.685658 0.061 Uiso 0.8729(19) 1 calc R U P D 4
C35P C -0.13023(13) 0.3127(2) 0.63632(9) 0.0256(12) Uani 0.8729(19) 1 d D . P D
4
H35A H -0.150112 0.255962 0.631469 0.031 Uiso 0.8729(19) 1 calc R U P D 4
H35B H -0.175986 0.348944 0.619178 0.031 Uiso 0.8729(19) 1 calc R U P D 4
C36P C -0.1001(3) 0.3320(3) 0.69714(9) 0.0308(13) Uani 0.8729(19) 1 d D . P D 4
H36A H -0.081495 0.388429 0.702110 0.046 Uiso 0.8729(19) 1 calc R U P D 4
H36B H -0.055389 0.295536 0.714380 0.046 Uiso 0.8729(19) 1 calc R U P D 4
H36C H -0.144298 0.324208 0.713617 0.046 Uiso 0.8729(19) 1 calc R U P D 4
Ni1Q Ni 0.08754(6) 0.51806(5) 0.54914(6) 0.0135(3) Uani 0.1271(19) 1 d D . P D
5
N1Q N 0.02357(9) 0.60190(8) 0.57232(8) 0.0228(17) Uani 0.1271(19) 1 d D U P D 5
N2Q N 0.15544(9) 0.60230(8) 0.53044(9) 0.0232(17) Uani 0.1271(19) 1 d D U P D 5
N3Q N 0.15363(9) 0.43386(8) 0.52858(8) 0.0238(17) Uani 0.1271(19) 1 d D U P D 5
N4Q N 0.02303(9) 0.43357(8) 0.57142(9) 0.0234(17) Uani 0.1271(19) 1 d D U P D 5
C1Q C -0.03978(11) 0.59161(9) 0.59502(10) 0.0228(17) Uani 0.1271(19) 1 d D U P
D 5
C2Q C -0.06839(11) 0.66825(10) 0.60946(8) 0.0228(17) Uani 0.1271(19) 1 d D U P
D 5
C3Q C -0.02333(11) 0.72622(9) 0.59522(10) 0.0229(17) Uani 0.1271(19) 1 d D U P
D 5
C4Q C 0.03435(10) 0.68549(10) 0.57245(9) 0.0229(17) Uani 0.1271(19) 1 d D U P D
5
C5Q C 0.09236(11) 0.72421(13) 0.55482(11) 0.0230(17) Uani 0.1271(19) 1 d D U P
D 5
H5Q H 0.093108 0.781913 0.555626 0.028 Uiso 0.1271(19) 1 calc R U P D 5
C6Q C 0.14965(10) 0.68543(10) 0.53600(10) 0.0232(17) Uani 0.1271(19) 1 d D U P
D 5
C7Q C 0.21159(11) 0.72749(9) 0.51803(10) 0.0233(17) Uani 0.1271(19) 1 d D U P D
5
C8Q C 0.25513(10) 0.66949(10) 0.50153(10) 0.0234(17) Uani 0.1271(19) 1 d D U P
D 5
C9Q C 0.22114(11) 0.59157(9) 0.50996(11) 0.0233(17) Uani 0.1271(19) 1 d D U P D
5
C10Q C 0.25087(15) 0.51777(9) 0.49965(14) 0.0235(17) Uani 0.1271(19) 1 d D U P
D 5
H10Q H 0.295609 0.517988 0.485014 0.028 Uiso 0.1271(19) 1 calc R U P D 5
C11Q C 0.22065(11) 0.44360(9) 0.50896(11) 0.0237(17) Uani 0.1271(19) 1 d D U P
D 5
C12Q C 0.25493(10) 0.36593(10) 0.50152(10) 0.0239(17) Uani 0.1271(19) 1 d D U P
D 5
C13Q C 0.20836(11) 0.30787(9) 0.51509(11) 0.0240(18) Uani 0.1271(19) 1 d D U P
D 5
C14Q C 0.14588(10) 0.35072(10) 0.53182(10) 0.0238(17) Uani 0.1271(19) 1 d D U P
D 5
C15Q C 0.08831(11) 0.31111(13) 0.55004(10) 0.0237(17) Uani 0.1271(19) 1 d D U P
D 5
H15Q H 0.087854 0.253401 0.549355 0.028 Uiso 0.1271(19) 1 calc R U P D 5
C16Q C 0.03130(10) 0.35017(10) 0.56922(10) 0.0235(17) Uani 0.1271(19) 1 d D U P
D 5
C17Q C -0.02654(11) 0.30793(9) 0.59096(10) 0.0236(17) Uani 0.1271(19) 1 d D U P
D 5
C18Q C -0.07097(11) 0.36667(10) 0.60584(8) 0.0234(17) Uani 0.1271(19) 1 d D U P
D 5
C19Q C -0.04038(12) 0.44396(9) 0.59371(11) 0.0233(17) Uani 0.1271(19) 1 d D U P
D 5
C20Q C -0.06995(15) 0.51755(9) 0.60420(14) 0.0230(17) Uani 0.1271(19) 1 d D U P
D 5
H20Q H -0.114623 0.517260 0.618897 0.028 Uiso 0.1271(19) 1 calc R U P D 5
C21Q C -0.13290(13) 0.6773(2) 0.63802(9) 0.0228(19) Uani 0.1271(19) 1 d D U P D
5
H21C H -0.177394 0.639011 0.622025 0.027 Uiso 0.1271(19) 1 calc R U P D 5
H21D H -0.155107 0.733126 0.632227 0.027 Uiso 0.1271(19) 1 calc R U P D 5
C22Q C -0.1014(3) 0.6612(10) 0.69875(10) 0.023(2) Uani 0.1271(19) 1 d D U P D 5
H22D H -0.087181 0.603660 0.704852 0.034 Uiso 0.1271(19) 1 calc R U P D 5
H22E H -0.143425 0.674893 0.716158 0.034 Uiso 0.1271(19) 1 calc R U P D 5
H22F H -0.053545 0.694684 0.714127 0.034 Uiso 0.1271(19) 1 calc R U P D 5
C23Q C -0.0252(2) 0.81706(11) 0.60317(15) 0.0231(19) Uani 0.1271(19) 1 d D U P
D 5
H23C H -0.078545 0.832769 0.607210 0.028 Uiso 0.1271(19) 1 calc R U P D 5
H23D H -0.018159 0.844742 0.570708 0.028 Uiso 0.1271(19) 1 calc R U P D 5
C24Q C 0.0410(4) 0.8456(2) 0.65300(19) 0.024(2) Uani 0.1271(19) 1 d D U P D 5
H24D H 0.016525 0.862064 0.681342 0.035 Uiso 0.1271(19) 1 calc R U P D 5
H24E H 0.069760 0.891866 0.643181 0.035 Uiso 0.1271(19) 1 calc R U P D 5
H24F H 0.079135 0.801075 0.666309 0.035 Uiso 0.1271(19) 1 calc R U P D 5
C25Q C 0.2243(2) 0.81779(11) 0.52173(13) 0.0235(19) Uani 0.1271(19) 1 d D U P D
5
H25C H 0.171555 0.845300 0.507604 0.028 Uiso 0.1271(19) 1 calc R U P D 5
H25D H 0.258970 0.833754 0.498687 0.028 Uiso 0.1271(19) 1 calc R U P D 5
C26Q C 0.2640(9) 0.8469(2) 0.58034(14) 0.024(2) Uani 0.1271(19) 1 d D U P D 5
H26D H 0.221901 0.860449 0.597681 0.036 Uiso 0.1271(19) 1 calc R U P D 5
H26E H 0.297006 0.895166 0.579662 0.036 Uiso 0.1271(19) 1 calc R U P D 5
H26F H 0.298273 0.803598 0.600743 0.036 Uiso 0.1271(19) 1 calc R U P D 5
C27Q C 0.32890(12) 0.6807(2) 0.48165(12) 0.0235(19) Uani 0.1271(19) 1 d D U P D
5
H27C H 0.319299 0.726013 0.455345 0.028 Uiso 0.1271(19) 1 calc R U P D 5
H27D H 0.337998 0.630779 0.462800 0.028 Uiso 0.1271(19) 1 calc R U P D 5
C28Q C 0.40429(17) 0.6990(8) 0.5280(2) 0.024(2) Uani 0.1271(19) 1 d D U P D 5
H28D H 0.442927 0.729649 0.514143 0.036 Uiso 0.1271(19) 1 calc R U P D 5
H28E H 0.429024 0.647870 0.543882 0.036 Uiso 0.1271(19) 1 calc R U P D 5
H28F H 0.389220 0.731183 0.555624 0.036 Uiso 0.1271(19) 1 calc R U P D 5
C29Q C 0.32616(12) 0.3541(2) 0.47940(12) 0.0240(19) Uani 0.1271(19) 1 d D U P D
5
H29C H 0.319875 0.389824 0.447616 0.029 Uiso 0.1271(19) 1 calc R U P D 5
H29D H 0.326578 0.297158 0.467044 0.029 Uiso 0.1271(19) 1 calc R U P D 5
C30Q C 0.40600(16) 0.3723(10) 0.5202(3) 0.024(2) Uani 0.1271(19) 1 d D U P D 5
H30D H 0.449572 0.367825 0.502861 0.036 Uiso 0.1271(19) 1 calc R U P D 5
H30E H 0.415247 0.333457 0.550109 0.036 Uiso 0.1271(19) 1 calc R U P D 5
H30F H 0.404960 0.427600 0.534153 0.036 Uiso 0.1271(19) 1 calc R U P D 5
C31Q C 0.2175(2) 0.21650(11) 0.51545(14) 0.0243(19) Uani 0.1271(19) 1 d D U P D
5
H31C H 0.248626 0.201230 0.490042 0.029 Uiso 0.1271(19) 1 calc R U P D 5
H31D H 0.163258 0.191603 0.502271 0.029 Uiso 0.1271(19) 1 calc R U P D 5
C32Q C 0.2601(7) 0.1815(2) 0.57170(16) 0.025(2) Uani 0.1271(19) 1 d D U P D 5
H32D H 0.312971 0.207318 0.585718 0.037 Uiso 0.1271(19) 1 calc R U P D 5
H32E H 0.267163 0.122723 0.568773 0.037 Uiso 0.1271(19) 1 calc R U P D 5
H32F H 0.227145 0.192048 0.596357 0.037 Uiso 0.1271(19) 1 calc R U P D 5
C33Q C -0.0308(2) 0.21710(11) 0.59694(14) 0.0238(19) Uani 0.1271(19) 1 d D U P
D 5
H33C H -0.015920 0.190459 0.566654 0.029 Uiso 0.1271(19) 1 calc R U P D 5
H33D H -0.086926 0.201394 0.594817 0.029 Uiso 0.1271(19) 1 calc R U P D 5
C34Q C 0.0256(5) 0.1867(2) 0.65053(17) 0.025(2) Uani 0.1271(19) 1 d D U P D 5
H34D H 0.079084 0.211131 0.656187 0.037 Uiso 0.1271(19) 1 calc R U P D 5
H34E H 0.030048 0.127449 0.649403 0.037 Uiso 0.1271(19) 1 calc R U P D 5
H34F H 0.003534 0.202218 0.680245 0.037 Uiso 0.1271(19) 1 calc R U P D 5
C35Q C -0.13695(13) 0.3585(2) 0.63317(9) 0.0235(19) Uani 0.1271(19) 1 d D U P D
5
H35C H -0.158957 0.302655 0.627835 0.028 Uiso 0.1271(19) 1 calc R U P D 5
H35D H -0.181255 0.396566 0.616193 0.028 Uiso 0.1271(19) 1 calc R U P D 5
C36Q C -0.1065(3) 0.3766(10) 0.69414(10) 0.024(2) Uani 0.1271(19) 1 d D U P D 5
H36D H -0.137364 0.344349 0.713366 0.035 Uiso 0.1271(19) 1 calc R U P D 5
H36E H -0.113591 0.434538 0.700395 0.035 Uiso 0.1271(19) 1 calc R U P D 5
H36F H -0.049159 0.362531 0.707447 0.035 Uiso 0.1271(19) 1 calc R U P D 5


_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 N1A 2.036(9) . ?
Sc1A C8A 2.332(2) . ?
Sc1A C6A 2.344(2) . ?
Sc1A C1A 2.363(2) . ?
Sc1A C5A 2.375(2) . ?
Sc1A C7A 2.402(2) . ?
Sc1A C2A 2.433(2) . ?
Sc1A C4A 2.4526(19) . ?
Sc1A C3A 2.488(2) . ?
Sc1A C9A 2.6218(18) . ?
Sc1A C56A 2.651(2) . ?
Sc1A C57A 2.777(2) . ?
Sc2A N1A 1.983(10) . ?
Sc2A C33A 2.273(2) . ?
Sc2A C37A 2.288(2) . ?
Sc2A C32A 2.3286(19) . ?
Sc2A C34A 2.3315(19) . ?
Sc2A C38A 2.3494(19) . ?
Sc2A C36A 2.3524(18) . ?
Sc2A C35A 2.4209(18) . ?
Sc2A C62A 2.4217(18) . ?
Sc2A C31A 2.6778(18) . ?
Sc2A C29A 2.6789(18) . ?
Sc2A C39A 2.7105(18) . ?
Sc3A N1A 2.053(10) . ?
Sc3A C21A 2.313(2) . ?
Sc3A C19A 2.343(2) . ?
Sc3A C22A 2.358(2) . ?
Sc3A C23A 2.377(2) . ?
Sc3A C20A 2.386(2) . ?
Sc3A C26A 2.450(2) . ?
Sc3A C24A 2.480(2) . ?
Sc3A C25A 2.524(2) . ?
Sc3A C53A 2.601(2) . ?
Sc3A C18A 2.652(2) . ?
Sc3A C27A 2.782(2) . ?
C1A C5A 1.4301(15) . ?
C1A C2A 1.4344(15) . ?
C1A C8A 1.4353(16) . ?
C2A C3A 1.4337(14) . ?
C2A C57A 1.4365(15) . ?
C3A C4A 1.4328(14) . ?
C3A C40A 1.4467(16) . ?
C4A C5A 1.4345(15) . ?
C4A C43A 1.4355(15) . ?
C5A C6A 1.4337(16) . ?
C6A C56A 1.4363(15) . ?
C6A C7A 1.4365(15) . ?
C7A C8A 1.4357(15) . ?
C7A C12A 1.4416(17) . ?
C8A C9A 1.4434(15) . ?
C9A C10A 1.4454(18) . ?
C9A C58A 1.4512(19) . ?
C10A C70A 1.4194(16) . ?
C10A C11A 1.4229(17) . ?
C11A C16A 1.4253(16) . ?
C11A C12A 1.4500(19) . ?
C12A C13A 1.4601(19) . ?
C13A C55A 1.4144(19) . ?
C13A C14A 1.4192(18) . ?
C14A C52A 1.4163(19) . ?
C14A C15A 1.4590(18) . ?
C15A C16A 1.4536(18) . ?
C15A C20A 1.4578(17) . ?
C16A C17A 1.4255(17) . ?
C17A C70A 1.4210(17) . ?
C17A C18A 1.4532(17) . ?
C18A C19A 1.4482(17) . ?
C18A C67A 1.4519(15) . ?
C19A C23A 1.4401(15) . ?
C19A C20A 1.4415(15) . ?
C20A C21A 1.4418(15) . ?
C21A C22A 1.4382(14) . ?
C21A C53A 1.4493(17) . ?
C22A C23A 1.4335(15) . ?
C22A C26A 1.4410(15) . ?
C23A C24A 1.4389(15) . ?
C24A C25A 1.4370(15) . ?
C24A C66A 1.4459(16) . ?
C25A C26A 1.4372(15) . ?
C25A C30A 1.4560(17) . ?
C26A C27A 1.4403(18) . ?
C27A C54A 1.4135(17) . ?
C27A C28A 1.4175(17) . ?
C28A C48A 1.4171(16) . ?
C28A C29A 1.4559(18) . ?
C29A C30A 1.4593(16) . ?
C29A C34A 1.4627(16) . ?
C30A C31A 1.4674(16) . ?
C31A C65A 1.4547(18) . ?
C31A C32A 1.4572(16) . ?
C32A C62A 1.4402(14) . ?
C32A C33A 1.4477(15) . ?
C33A C37A 1.4380(15) . ?
C33A C34A 1.4467(15) . ?
C34A C35A 1.4401(14) . ?
C35A C36A 1.4382(14) . ?
C35A C47A 1.4431(18) . ?
C36A C37A 1.4482(15) . ?
C36A C41A 1.4662(16) . ?
C37A C38A 1.4475(15) . ?
C38A C62A 1.4390(14) . ?
C38A C39A 1.4635(17) . ?
C39A C61A 1.4478(18) . ?
C39A C40A 1.4620(17) . ?
C40A C41A 1.4583(18) . ?
C41A C42A 1.4498(18) . ?
C42A C43A 1.4191(15) . ?
C42A C46A 1.4236(17) . ?
C43A C44A 1.4170(17) . ?
C44A C45A 1.4212(16) . ?
C44A C56A 1.4437(19) . ?
C45A C46A 1.4243(17) . ?
C45A C50A 1.444(2) . ?
C46A C47A 1.4470(18) . ?
C47A C48A 1.4488(18) . ?
C48A C49A 1.4198(17) . ?
C49A C54A 1.4138(17) . ?
C49A C50A 1.4452(17) . ?
C50A C51A 1.458(2) . ?
C51A C52A 1.4093(18) . ?
C51A C55A 1.4102(18) . ?
C52A C53A 1.4572(18) . ?
C53A C54A 1.4545(18) . ?
C55A C56A 1.4569(18) . ?
C57A C58A 1.4143(16) . ?
C57A C61A 1.4194(15) . ?
C58A C59A 1.4166(16) . ?
C59A C60A 1.4202(17) . ?
C59A C69A 1.4435(19) . ?
C60A C61A 1.4174(17) . ?
C60A C63A 1.4498(18) . ?
C62A C63A 1.4432(18) . ?
C63A C64A 1.4432(18) . ?
C64A C65A 1.4241(16) . ?
C64A C68A 1.4257(17) . ?
C65A C66A 1.4237(16) . ?
C66A C67A 1.4222(14) . ?
C67A C68A 1.4257(16) . ?
C68A C69A 1.4459(17) . ?
C69A C70A 1.4533(19) . ?
Sc1B N1B 2.01(3) . ?
Sc1B C6B 2.351(9) . ?
Sc1B C8B 2.355(10) . ?
Sc1B C1B 2.377(9) . ?
Sc1B C5B 2.379(7) . ?
Sc1B C7B 2.420(8) . ?
Sc1B C2B 2.439(11) . ?
Sc1B C4B 2.444(8) . ?
Sc1B C3B 2.480(9) . ?
Sc1B C9B 2.644(12) . ?
Sc1B C56B 2.647(12) . ?
Sc1B C57B 2.786(13) . ?
Sc2B N1B 1.96(3) . ?
Sc2B C33B 2.251(5) . ?
Sc2B C34B 2.264(7) . ?
Sc2B C37B 2.305(6) . ?
Sc2B C32B 2.330(6) . ?
Sc2B C36B 2.349(5) . ?
Sc2B C35B 2.366(7) . ?
Sc2B C38B 2.413(8) . ?
Sc2B C62B 2.474(9) . ?
Sc2B C29B 2.595(8) . ?
Sc2B C31B 2.655(6) . ?
Sc2B C41B 2.737(6) . ?
Sc3B N1B 2.08(3) . ?
Sc3B C19B 2.198(8) . ?
Sc3B C23B 2.318(8) . ?
Sc3B C20B 2.380(8) . ?
Sc3B C24B 2.383(8) . ?
Sc3B C18B 2.386(12) . ?
Sc3B C21B 2.467(10) . ?
Sc3B C22B 2.478(10) . ?
Sc3B C25B 2.577(8) . ?
Sc3B C66B 2.631(10) . ?
Sc3B C26B 2.630(11) . ?
Sc3B C67B 2.684(12) . ?
C1B C5B 1.4301(15) . ?
C1B C2B 1.4344(15) . ?
C1B C8B 1.4353(16) . ?
C2B C3B 1.4337(14) . ?
C2B C57B 1.4365(15) . ?
C3B C4B 1.4328(14) . ?
C3B C40B 1.4467(16) . ?
C4B C5B 1.4345(15) . ?
C4B C43B 1.4355(15) . ?
C5B C6B 1.4337(16) . ?
C6B C56B 1.4363(15) . ?
C6B C7B 1.4365(15) . ?
C7B C8B 1.4357(15) . ?
C7B C12B 1.4416(17) . ?
C8B C9B 1.4434(15) . ?
C9B C10B 1.4454(18) . ?
C9B C58B 1.4512(19) . ?
C10B C70B 1.4194(16) . ?
C10B C11B 1.4229(17) . ?
C11B C16B 1.4253(16) . ?
C11B C12B 1.4500(19) . ?
C12B C13B 1.4601(19) . ?
C13B C55B 1.4144(19) . ?
C13B C14B 1.4192(18) . ?
C14B C52B 1.4163(19) . ?
C14B C15B 1.4589(18) . ?
C15B C16B 1.4536(18) . ?
C15B C20B 1.4578(17) . ?
C16B C17B 1.4255(18) . ?
C17B C70B 1.4210(16) . ?
C17B C18B 1.4532(17) . ?
C18B C19B 1.4482(17) . ?
C18B C67B 1.4519(15) . ?
C19B C23B 1.4401(14) . ?
C19B C20B 1.4415(15) . ?
C20B C21B 1.4418(15) . ?
C21B C22B 1.4382(15) . ?
C21B C53B 1.4493(17) . ?
C22B C23B 1.4335(15) . ?
C22B C26B 1.4410(15) . ?
C23B C24B 1.4389(15) . ?
C24B C25B 1.4370(15) . ?
C24B C66B 1.4459(16) . ?
C25B C26B 1.4372(15) . ?
C25B C30B 1.4560(17) . ?
C26B C27B 1.4403(18) . ?
C27B C54B 1.4135(17) . ?
C27B C28B 1.4175(18) . ?
C28B C48B 1.4171(16) . ?
C28B C29B 1.4559(18) . ?
C29B C30B 1.4593(15) . ?
C29B C34B 1.4627(16) . ?
C30B C31B 1.4674(16) . ?
C31B C65B 1.4547(18) . ?
C31B C32B 1.4572(16) . ?
C32B C62B 1.4402(14) . ?
C32B C33B 1.4477(15) . ?
C33B C37B 1.4380(15) . ?
C33B C34B 1.4467(15) . ?
C34B C35B 1.4401(14) . ?
C35B C36B 1.4382(14) . ?
C35B C47B 1.4431(18) . ?
C36B C37B 1.4482(15) . ?
C36B C41B 1.4662(17) . ?
C37B C38B 1.4475(15) . ?
C38B C62B 1.4390(14) . ?
C38B C39B 1.4635(17) . ?
C39B C61B 1.4478(18) . ?
C39B C40B 1.4620(17) . ?
C40B C41B 1.4583(17) . ?
C41B C42B 1.4498(18) . ?
C42B C43B 1.4191(15) . ?
C42B C46B 1.4236(17) . ?
C43B C44B 1.4170(17) . ?
C44B C45B 1.4212(16) . ?
C44B C56B 1.4437(19) . ?
C45B C46B 1.4243(17) . ?
C45B C50B 1.444(2) . ?
C46B C47B 1.4470(18) . ?
C47B C48B 1.4488(18) . ?
C48B C49B 1.4198(17) . ?
C49B C54B 1.4138(18) . ?
C49B C50B 1.4452(17) . ?
C50B C51B 1.458(2) . ?
C51B C52B 1.4093(19) . ?
C51B C55B 1.4102(18) . ?
C52B C53B 1.4572(18) . ?
C53B C54B 1.4545(18) . ?
C55B C56B 1.4569(18) . ?
C57B C58B 1.4143(17) . ?
C57B C61B 1.4194(15) . ?
C58B C59B 1.4166(16) . ?
C59B C60B 1.4202(17) . ?
C59B C69B 1.4435(19) . ?
C60B C61B 1.4174(17) . ?
C60B C63B 1.4498(18) . ?
C62B C63B 1.4432(18) . ?
C63B C64B 1.4432(18) . ?
C64B C65B 1.4241(16) . ?
C64B C68B 1.4257(17) . ?
C65B C66B 1.4237(16) . ?
C66B C67B 1.4222(14) . ?
C67B C68B 1.4257(16) . ?
C68B C69B 1.4459(17) . ?
C69B C70B 1.4533(19) . ?
C1S C2S 1.331(14) . ?
C1S C3S 1.415(15) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.393(16) 3_756 ?
C2S H2S 0.9500 . ?
C3S H3S 0.9500 . ?
C4S C9S 1.364(11) . ?
C4S C5S 1.382(10) . ?
C4S C10S 1.559(14) . ?
C5S C6S 1.443(11) . ?
C5S H5S 0.9500 . ?
C6S C7S 1.358(11) . ?
C6S H6S 0.9500 . ?
C7S C8S 1.384(10) . ?
C7S H7S 0.9500 . ?
C8S C9S 1.405(11) . ?
C8S H8S 0.9500 . ?
C9S H9S 0.9500 . ?
C10S H10A 0.9800 . ?
C10S H10B 0.9800 . ?
C10S H10C 0.9800 . ?
Ni1P N3P 1.9602(16) . ?
Ni1P N2P 1.9611(16) . ?
Ni1P N1P 1.9625(16) . ?
Ni1P N4P 1.9657(16) . ?
N1P C1P 1.388(3) . ?
N1P C4P 1.388(2) . ?
N2P C6P 1.382(2) . ?
N2P C9P 1.390(3) . ?
N3P C14P 1.380(2) . ?
N3P C11P 1.396(3) . ?
N4P C19P 1.382(3) . ?
N4P C16P 1.383(2) . ?
C1P C20P 1.372(2) . ?
C1P C2P 1.441(2) . ?
C2P C3P 1.346(2) . ?
C2P C21P 1.505(3) . ?
C3P C4P 1.454(3) . ?
C3P C23P 1.511(2) . ?
C4P C5P 1.368(3) . ?
C5P C6P 1.375(3) . ?
C5P H5P 0.9500 . ?
C6P C7P 1.454(3) . ?
C7P C8P 1.355(2) . ?
C7P C25P 1.501(2) . ?
C8P C9P 1.452(2) . ?
C8P C27P 1.512(3) . ?
C9P C10P 1.373(2) . ?
C10P C11P 1.375(2) . ?
C10P H10P 0.9500 . ?
C11P C12P 1.444(2) . ?
C12P C13P 1.356(2) . ?
C12P C29P 1.506(3) . ?
C13P C14P 1.452(3) . ?
C13P C31P 1.512(2) . ?
C14P C15P 1.377(3) . ?
C15P C16P 1.378(3) . ?
C15P H15P 0.9500 . ?
C16P C17P 1.452(3) . ?
C17P C18P 1.355(2) . ?
C17P C33P 1.507(2) . ?
C18P C19P 1.445(2) . ?
C18P C35P 1.504(3) . ?
C19P C20P 1.370(2) . ?
C20P H20P 0.9500 . ?
C21P C22P 1.530(3) . ?
C21P H21A 0.9900 . ?
C21P H21B 0.9900 . ?
C22P H22A 0.9800 . ?
C22P H22B 0.9800 . ?
C22P H22C 0.9800 . ?
C23P C24P 1.534(4) . ?
C23P H23A 0.9900 . ?
C23P H23B 0.9900 . ?
C24P H24A 0.9800 . ?
C24P H24B 0.9800 . ?
C24P H24C 0.9800 . ?
C25P C26P 1.550(4) . ?
C25P H25A 0.9900 . ?
C25P H25B 0.9900 . ?
C26P H26A 0.9800 . ?
C26P H26B 0.9800 . ?
C26P H26C 0.9800 . ?
C27P C28P 1.529(4) . ?
C27P H27A 0.9900 . ?
C27P H27B 0.9900 . ?
C28P H28A 0.9800 . ?
C28P H28B 0.9800 . ?
C28P H28C 0.9800 . ?
C29P C30P 1.511(4) . ?
C29P H29A 0.9900 . ?
C29P H29B 0.9900 . ?
C30P H30A 0.9800 . ?
C30P H30B 0.9800 . ?
C30P H30C 0.9800 . ?
C31P C32P 1.543(4) . ?
C31P H31A 0.9900 . ?
C31P H31B 0.9900 . ?
C32P H32A 0.9800 . ?
C32P H32B 0.9800 . ?
C32P H32C 0.9800 . ?
C33P C34P 1.533(4) . ?
C33P H33A 0.9900 . ?
C33P H33B 0.9900 . ?
C34P H34A 0.9800 . ?
C34P H34B 0.9800 . ?
C34P H34C 0.9800 . ?
C35P C36P 1.541(3) . ?
C35P H35A 0.9900 . ?
C35P H35B 0.9900 . ?
C36P H36A 0.9800 . ?
C36P H36B 0.9800 . ?
C36P H36C 0.9800 . ?
Ni1Q N3Q 1.9603(16) . ?
Ni1Q N2Q 1.9610(16) . ?
Ni1Q N1Q 1.9626(16) . ?
Ni1Q N4Q 1.9656(16) . ?
N1Q C1Q 1.388(3) . ?
N1Q C4Q 1.388(2) . ?
N2Q C6Q 1.382(2) . ?
N2Q C9Q 1.390(3) . ?
N3Q C14Q 1.380(2) . ?
N3Q C11Q 1.396(3) . ?
N4Q C19Q 1.382(3) . ?
N4Q C16Q 1.383(2) . ?
C1Q C20Q 1.372(2) . ?
C1Q C2Q 1.441(2) . ?
C2Q C3Q 1.346(2) . ?
C2Q C21Q 1.505(3) . ?
C3Q C4Q 1.454(3) . ?
C3Q C23Q 1.511(2) . ?
C4Q C5Q 1.368(3) . ?
C5Q C6Q 1.375(3) . ?
C5Q H5Q 0.9500 . ?
C6Q C7Q 1.454(3) . ?
C7Q C8Q 1.355(2) . ?
C7Q C25Q 1.501(2) . ?
C8Q C9Q 1.452(2) . ?
C8Q C27Q 1.512(3) . ?
C9Q C10Q 1.373(2) . ?
C10Q C11Q 1.375(2) . ?
C10Q H10Q 0.9500 . ?
C11Q C12Q 1.444(2) . ?
C12Q C13Q 1.356(2) . ?
C12Q C29Q 1.506(3) . ?
C13Q C14Q 1.452(3) . ?
C13Q C31Q 1.512(2) . ?
C14Q C15Q 1.377(3) . ?
C15Q C16Q 1.378(3) . ?
C15Q H15Q 0.9500 . ?
C16Q C17Q 1.452(3) . ?
C17Q C18Q 1.355(2) . ?
C17Q C33Q 1.507(2) . ?
C18Q C19Q 1.445(2) . ?
C18Q C35Q 1.504(3) . ?
C19Q C20Q 1.370(2) . ?
C20Q H20Q 0.9500 . ?
C21Q C22Q 1.530(3) . ?
C21Q H21C 0.9900 . ?
C21Q H21D 0.9900 . ?
C22Q H22D 0.9800 . ?
C22Q H22E 0.9800 . ?
C22Q H22F 0.9800 . ?
C23Q C24Q 1.534(4) . ?
C23Q H23C 0.9900 . ?
C23Q H23D 0.9900 . ?
C24Q H24D 0.9800 . ?
C24Q H24E 0.9800 . ?
C24Q H24F 0.9800 . ?
C25Q C26Q 1.550(4) . ?
C25Q H25C 0.9900 . ?
C25Q H25D 0.9900 . ?
C26Q H26D 0.9800 . ?
C26Q H26E 0.9800 . ?
C26Q H26F 0.9800 . ?
C27Q C28Q 1.529(4) . ?
C27Q H27C 0.9900 . ?
C27Q H27D 0.9900 . ?
C28Q H28D 0.9800 . ?
C28Q H28E 0.9800 . ?
C28Q H28F 0.9800 . ?
C29Q C30Q 1.511(4) . ?
C29Q H29C 0.9900 . ?
C29Q H29D 0.9900 . ?
C30Q H30D 0.9800 . ?
C30Q H30E 0.9800 . ?
C30Q H30F 0.9800 . ?
C31Q C32Q 1.543(4) . ?
C31Q H31C 0.9900 . ?
C31Q H31D 0.9900 . ?
C32Q H32D 0.9800 . ?
C32Q H32E 0.9800 . ?
C32Q H32F 0.9800 . ?
C33Q C34Q 1.533(4) . ?
C33Q H33C 0.9900 . ?
C33Q H33D 0.9900 . ?
C34Q H34D 0.9800 . ?
C34Q H34E 0.9800 . ?
C34Q H34F 0.9800 . ?
C35Q C36Q 1.541(3) . ?
C35Q H35C 0.9900 . ?
C35Q H35D 0.9900 . ?
C36Q H36D 0.9800 . ?
C36Q H36E 0.9800 . ?
C36Q H36F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1A Sc1A C8A 135.4(2) . . ?
N1A Sc1A C6A 133.0(3) . . ?
C8A Sc1A C6A 59.49(6) . . ?
N1A Sc1A C1A 164.3(2) . . ?
C8A Sc1A C1A 35.59(5) . . ?
C6A Sc1A C1A 58.98(6) . . ?
N1A Sc1A C5A 160.6(2) . . ?
C8A Sc1A C5A 59.04(6) . . ?
C6A Sc1A C5A 35.37(5) . . ?
C1A Sc1A C5A 35.13(4) . . ?
N1A Sc1A C7A 123.6(3) . . ?
C8A Sc1A C7A 35.26(4) . . ?
C6A Sc1A C7A 35.21(4) . . ?
C1A Sc1A C7A 58.24(6) . . ?
C5A Sc1A C7A 58.11(6) . . ?
N1A Sc1A C2A 136.6(3) . . ?
C8A Sc1A C2A 62.64(6) . . ?
C6A Sc1A C2A 90.31(7) . . ?
C1A Sc1A C2A 34.77(4) . . ?
C5A Sc1A C2A 57.55(5) . . ?
C7A Sc1A C2A 92.32(7) . . ?
N1A Sc1A C4A 134.3(2) . . ?
C8A Sc1A C4A 90.28(7) . . ?
C6A Sc1A C4A 62.09(5) . . ?
C1A Sc1A C4A 57.44(5) . . ?
C5A Sc1A C4A 34.53(4) . . ?
C7A Sc1A C4A 91.89(7) . . ?
C2A Sc1A C4A 56.42(5) . . ?
N1A Sc1A C3A 124.6(3) . . ?
C8A Sc1A C3A 91.94(7) . . ?
C6A Sc1A C3A 91.47(6) . . ?
C1A Sc1A C3A 57.28(5) . . ?
C5A Sc1A C3A 57.12(5) . . ?
C7A Sc1A C3A 111.79(7) . . ?
C2A Sc1A C3A 33.86(4) . . ?
C4A Sc1A C3A 33.71(4) . . ?
N1A Sc1A C9A 106.6(2) . . ?
C8A Sc1A C9A 33.23(4) . . ?
C6A Sc1A C9A 90.84(6) . . ?
C1A Sc1A C9A 59.63(5) . . ?
C5A Sc1A C9A 90.65(6) . . ?
C7A Sc1A C9A 59.16(5) . . ?
C2A Sc1A C9A 69.09(5) . . ?
C4A Sc1A C9A 116.77(7) . . ?
C3A Sc1A C9A 102.91(6) . . ?
N1A Sc1A C56A 104.1(3) . . ?
C8A Sc1A C56A 90.38(7) . . ?
C6A Sc1A C56A 32.70(4) . . ?
C1A Sc1A C56A 90.01(6) . . ?
C5A Sc1A C56A 58.88(5) . . ?
C7A Sc1A C56A 58.74(5) . . ?
C2A Sc1A C56A 116.08(7) . . ?
C4A Sc1A C56A 68.15(5) . . ?
C3A Sc1A C56A 101.81(6) . . ?
C9A Sc1A C56A 117.82(7) . . ?
N1A Sc1A C57A 109.8(3) . . ?
C8A Sc1A C57A 67.51(5) . . ?
C6A Sc1A C57A 115.77(7) . . ?
C1A Sc1A C57A 56.84(5) . . ?
C5A Sc1A C57A 87.23(6) . . ?
C7A Sc1A C57A 102.76(6) . . ?
C2A Sc1A C57A 31.12(4) . . ?
C4A Sc1A C57A 85.76(6) . . ?
C3A Sc1A C57A 55.92(5) . . ?
C9A Sc1A C57A 54.63(4) . . ?
C56A Sc1A C57A 146.00(7) . . ?
N1A Sc2A C33A 162.8(3) . . ?
N1A Sc2A C37A 160.4(3) . . ?
C33A Sc2A C37A 36.75(4) . . ?
N1A Sc2A C32A 134.2(3) . . ?
C33A Sc2A C32A 36.65(4) . . ?
C37A Sc2A C32A 60.79(5) . . ?
N1A Sc2A C34A 133.1(3) . . ?
C33A Sc2A C34A 36.59(4) . . ?
C37A Sc2A C34A 60.73(5) . . ?
C32A Sc2A C34A 65.04(5) . . ?
N1A Sc2A C38A 132.8(3) . . ?
C33A Sc2A C38A 60.64(5) . . ?
C37A Sc2A C38A 36.35(4) . . ?
C32A Sc2A C38A 59.90(5) . . ?
C34A Sc2A C38A 94.06(6) . . ?
N1A Sc2A C36A 131.7(3) . . ?
C33A Sc2A C36A 60.61(5) . . ?
C37A Sc2A C36A 36.34(4) . . ?
C32A Sc2A C36A 94.09(6) . . ?
C34A Sc2A C36A 59.82(5) . . ?
C38A Sc2A C36A 64.42(5) . . ?
N1A Sc2A C35A 121.7(2) . . ?
C33A Sc2A C35A 59.41(5) . . ?
C37A Sc2A C35A 59.23(5) . . ?
C32A Sc2A C35A 95.16(6) . . ?
C34A Sc2A C35A 35.21(4) . . ?
C38A Sc2A C35A 94.60(5) . . ?
C36A Sc2A C35A 35.03(4) . . ?
N1A Sc2A C62A 123.3(2) . . ?
C33A Sc2A C62A 59.41(5) . . ?
C37A Sc2A C62A 59.23(5) . . ?
C32A Sc2A C62A 35.23(4) . . ?
C34A Sc2A C62A 95.13(6) . . ?
C38A Sc2A C62A 35.07(4) . . ?
C36A Sc2A C62A 94.60(6) . . ?
C35A Sc2A C62A 114.95(6) . . ?
N1A Sc2A C31A 105.3(3) . . ?
C33A Sc2A C31A 60.33(5) . . ?
C37A Sc2A C31A 92.31(6) . . ?
C32A Sc2A C31A 32.91(5) . . ?
C34A Sc2A C31A 70.58(5) . . ?
C38A Sc2A C31A 90.56(5) . . ?
C36A Sc2A C31A 120.76(6) . . ?
C35A Sc2A C31A 105.78(6) . . ?
C62A Sc2A C31A 58.50(4) . . ?
N1A Sc2A C29A 104.4(3) . . ?
C33A Sc2A C29A 60.39(5) . . ?
C37A Sc2A C29A 92.37(6) . . ?
C32A Sc2A C29A 70.59(5) . . ?
C34A Sc2A C29A 33.03(5) . . ?
C38A Sc2A C29A 120.85(6) . . ?
C36A Sc2A C29A 90.57(5) . . ?
C35A Sc2A C29A 58.54(4) . . ?
C62A Sc2A C29A 105.81(6) . . ?
C31A Sc2A C29A 56.21(4) . . ?
N1A Sc2A C39A 103.7(3) . . ?
C33A Sc2A C39A 91.86(6) . . ?
C37A Sc2A C39A 59.78(5) . . ?
C32A Sc2A C39A 90.28(6) . . ?
C34A Sc2A C39A 120.28(6) . . ?
C38A Sc2A C39A 32.64(4) . . ?
C36A Sc2A C39A 69.76(5) . . ?
C35A Sc2A C39A 104.78(5) . . ?
C62A Sc2A C39A 58.06(5) . . ?
C31A Sc2A C39A 116.29(6) . . ?
C29A Sc2A C39A 151.83(6) . . ?
N1A Sc3A C21A 135.9(3) . . ?
N1A Sc3A C19A 134.6(2) . . ?
C21A Sc3A C19A 60.04(6) . . ?
N1A Sc3A C22A 163.2(2) . . ?
C21A Sc3A C22A 35.85(4) . . ?
C19A Sc3A C22A 59.37(5) . . ?
N1A Sc3A C23A 161.3(3) . . ?
C21A Sc3A C23A 59.39(6) . . ?
C19A Sc3A C23A 35.52(4) . . ?
C22A Sc3A C23A 35.24(4) . . ?
N1A Sc3A C20A 125.0(3) . . ?
C21A Sc3A C20A 35.70(5) . . ?
C19A Sc3A C20A 35.48(4) . . ?
C22A Sc3A C20A 58.78(6) . . ?
C23A Sc3A C20A 58.47(5) . . ?
N1A Sc3A C26A 134.6(2) . . ?
C21A Sc3A C26A 63.01(6) . . ?
C19A Sc3A C26A 90.55(7) . . ?
C22A Sc3A C26A 34.81(4) . . ?
C23A Sc3A C26A 57.49(5) . . ?
C20A Sc3A C26A 92.95(7) . . ?
N1A Sc3A C24A 133.7(3) . . ?
C21A Sc3A C24A 90.42(7) . . ?
C19A Sc3A C24A 62.03(5) . . ?
C22A Sc3A C24A 57.31(6) . . ?
C23A Sc3A C24A 34.38(4) . . ?
C20A Sc3A C24A 92.09(7) . . ?
C26A Sc3A C24A 56.03(5) . . ?
N1A Sc3A C25A 123.0(3) . . ?
C21A Sc3A C25A 91.97(7) . . ?
C19A Sc3A C25A 91.21(7) . . ?
C22A Sc3A C25A 57.02(6) . . ?
C23A Sc3A C25A 56.77(5) . . ?
C20A Sc3A C25A 111.92(7) . . ?
C26A Sc3A C25A 33.54(4) . . ?
C24A Sc3A C25A 33.36(4) . . ?
N1A Sc3A C53A 106.2(3) . . ?
C21A Sc3A C53A 33.66(5) . . ?
C19A Sc3A C53A 91.88(7) . . ?
C22A Sc3A C53A 60.09(6) . . ?
C23A Sc3A C53A 91.32(7) . . ?
C20A Sc3A C53A 60.02(6) . . ?
C26A Sc3A C53A 69.45(6) . . ?
C24A Sc3A C53A 117.03(7) . . ?
C25A Sc3A C53A 102.95(7) . . ?
N1A Sc3A C18A 105.2(2) . . ?
C21A Sc3A C18A 91.22(6) . . ?
C19A Sc3A C18A 32.98(4) . . ?
C22A Sc3A C18A 90.60(6) . . ?
C23A Sc3A C18A 59.22(5) . . ?
C20A Sc3A C18A 59.19(5) . . ?
C26A Sc3A C18A 116.26(7) . . ?
C24A Sc3A C18A 68.17(5) . . ?
C25A Sc3A C18A 101.45(7) . . ?
C53A Sc3A C18A 119.13(7) . . ?
N1A Sc3A C27A 108.0(2) . . ?
C21A Sc3A C27A 67.98(6) . . ?
C19A Sc3A C27A 116.30(8) . . ?
C22A Sc3A C27A 56.96(5) . . ?
C23A Sc3A C27A 87.27(7) . . ?
C20A Sc3A C27A 103.66(7) . . ?
C26A Sc3A C27A 31.14(4) . . ?
C24A Sc3A C27A 85.32(6) . . ?
C25A Sc3A C27A 55.63(5) . . ?
C53A Sc3A C27A 54.90(5) . . ?
C18A Sc3A C27A 146.45(7) . . ?
Sc2A N1A Sc1A 104.8(4) . . ?
Sc2A N1A Sc3A 104.5(4) . . ?
Sc1A N1A Sc3A 150.7(5) . . ?
C5A C1A C2A 107.82(9) . . ?
C5A C1A C8A 108.10(10) . . ?
C2A C1A C8A 119.46(10) . . ?
C5A C1A Sc1A 72.86(8) . . ?
C2A C1A Sc1A 75.25(8) . . ?
C8A C1A Sc1A 71.03(8) . . ?
C3A C2A C1A 108.49(9) . . ?
C3A C2A C57A 119.69(9) . . ?
C1A C2A C57A 118.99(9) . . ?
C3A C2A Sc1A 75.18(8) . . ?
C1A C2A Sc1A 69.98(8) . . ?
C57A C2A Sc1A 87.81(8) . . ?
C4A C3A C2A 107.34(8) . . ?
C4A C3A C40A 120.25(10) . . ?
C2A C3A C40A 120.36(9) . . ?
C4A C3A Sc1A 71.80(9) . . ?
C2A C3A Sc1A 70.96(8) . . ?
C40A C3A Sc1A 91.00(11) . . ?
C3A C4A C5A 108.48(9) . . ?
C3A C4A C43A 119.69(9) . . ?
C5A C4A C43A 118.92(9) . . ?
C3A C4A Sc1A 74.49(9) . . ?
C5A C4A Sc1A 69.76(8) . . ?
C43A C4A Sc1A 88.56(8) . . ?
C1A C5A C6A 108.04(9) . . ?
C1A C5A C4A 107.88(9) . . ?
C6A C5A C4A 119.30(10) . . ?
C1A C5A Sc1A 72.01(8) . . ?
C6A C5A Sc1A 71.14(8) . . ?
C4A C5A Sc1A 75.71(8) . . ?
C5A C6A C56A 119.70(9) . . ?
C5A C6A C7A 107.86(9) . . ?
C56A C6A C7A 119.96(9) . . ?
C5A C6A Sc1A 73.49(8) . . ?
C56A C6A Sc1A 85.48(8) . . ?
C7A C6A Sc1A 74.61(7) . . ?
C8A C7A C6A 107.76(9) . . ?
C8A C7A C12A 120.22(10) . . ?
C6A C7A C12A 120.03(10) . . ?
C8A C7A Sc1A 69.71(8) . . ?
C6A C7A Sc1A 70.17(7) . . ?
C12A C7A Sc1A 93.92(11) . . ?
C1A C8A C7A 107.79(9) . . ?
C1A C8A C9A 119.67(9) . . ?
C7A C8A C9A 119.53(9) . . ?
C1A C8A Sc1A 73.38(8) . . ?
C7A C8A Sc1A 75.02(8) . . ?
C9A C8A Sc1A 84.46(8) . . ?
C8A C9A C10A 118.04(10) . . ?
C8A C9A C58A 118.81(9) . . ?
C10A C9A C58A 118.79(9) . . ?
C8A C9A Sc1A 62.31(7) . . ?
C10A C9A Sc1A 101.33(9) . . ?
C58A C9A Sc1A 86.12(9) . . ?
C70A C10A C11A 108.06(10) . . ?
C70A C10A C9A 120.44(11) . . ?
C11A C10A C9A 120.50(11) . . ?
C10A C11A C16A 107.89(10) . . ?
C10A C11A C12A 119.77(12) . . ?
C16A C11A C12A 120.57(10) . . ?
C7A C12A C11A 118.42(11) . . ?
C7A C12A C13A 118.39(11) . . ?
C11A C12A C13A 118.97(10) . . ?
C55A C13A C14A 107.77(11) . . ?
C55A C13A C12A 119.67(13) . . ?
C14A C13A C12A 120.39(11) . . ?
C52A C14A C13A 107.75(11) . . ?
C52A C14A C15A 120.20(12) . . ?
C13A C14A C15A 120.62(11) . . ?
C16A C15A C20A 118.41(9) . . ?
C16A C15A C14A 118.82(10) . . ?
C20A C15A C14A 118.12(10) . . ?
C16A C15A Sc3A 96.99(10) . . ?
C20A C15A Sc3A 56.25(8) . . ?
C14A C15A Sc3A 95.44(10) . . ?
C11A C16A C17A 107.83(10) . . ?
C11A C16A C15A 120.52(10) . . ?
C17A C16A C15A 120.04(12) . . ?
C70A C17A C16A 107.93(10) . . ?
C70A C17A C18A 120.35(10) . . ?
C16A C17A C18A 120.36(11) . . ?
C19A C18A C67A 119.06(8) . . ?
C19A C18A C17A 118.17(9) . . ?
C67A C18A C17A 118.77(9) . . ?
C19A C18A Sc3A 61.72(8) . . ?
C67A C18A Sc3A 87.83(9) . . ?
C17A C18A Sc3A 101.03(10) . . ?
C23A C19A C20A 107.66(9) . . ?
C23A C19A C18A 119.60(9) . . ?
C20A C19A C18A 119.67(11) . . ?
C23A C19A Sc3A 73.53(9) . . ?
C20A C19A Sc3A 73.88(10) . . ?
C18A C19A Sc3A 85.31(10) . . ?
C19A C20A C21A 107.77(8) . . ?
C19A C20A C15A 119.83(11) . . ?
C21A C20A C15A 119.99(11) . . ?
C19A C20A Sc3A 70.64(9) . . ?
C21A C20A Sc3A 69.38(9) . . ?
C15A C20A Sc3A 93.22(11) . . ?
C22A C21A C20A 107.86(9) . . ?
C22A C21A C53A 119.31(10) . . ?
C20A C21A C53A 119.80(11) . . ?
C22A C21A Sc3A 73.80(9) . . ?
C20A C21A Sc3A 74.92(9) . . ?
C53A C21A Sc3A 84.16(10) . . ?
C23A C22A C21A 108.03(9) . . ?
C23A C22A C26A 107.79(9) . . ?
C21A C22A C26A 119.87(11) . . ?
C23A C22A Sc3A 73.10(9) . . ?
C21A C22A Sc3A 70.35(9) . . ?
C26A C22A Sc3A 76.10(9) . . ?
C22A C23A C24A 107.90(10) . . ?
C22A C23A C19A 108.23(9) . . ?
C24A C23A C19A 119.56(10) . . ?
C22A C23A Sc3A 71.66(9) . . ?
C24A C23A Sc3A 76.72(9) . . ?
C19A C23A Sc3A 70.95(9) . . ?
C25A C24A C23A 108.49(9) . . ?
C25A C24A C66A 119.78(10) . . ?
C23A C24A C66A 118.91(8) . . ?
C25A C24A Sc3A 75.03(7) . . ?
C23A C24A Sc3A 68.90(8) . . ?
C66A C24A Sc3A 89.00(8) . . ?
C24A C25A C26A 107.37(8) . . ?
C24A C25A C30A 120.37(9) . . ?
C26A C25A C30A 120.33(9) . . ?
C24A C25A Sc3A 71.61(7) . . ?
C26A C25A Sc3A 70.40(7) . . ?
C30A C25A Sc3A 91.89(8) . . ?
C25A C26A C27A 119.55(10) . . ?
C25A C26A C22A 108.45(8) . . ?
C27A C26A C22A 118.74(9) . . ?
C25A C26A Sc3A 76.06(8) . . ?
C27A C26A Sc3A 87.25(9) . . ?
C22A C26A Sc3A 69.09(8) . . ?
C54A C27A C28A 108.28(10) . . ?
C54A C27A C26A 120.54(11) . . ?
C28A C27A C26A 120.31(10) . . ?
C54A C27A Sc3A 79.93(10) . . ?
C28A C27A Sc3A 98.78(10) . . ?
C26A C27A Sc3A 61.62(8) . . ?
C48A C28A C27A 107.53(10) . . ?
C48A C28A C29A 120.19(10) . . ?
C27A C28A C29A 120.46(10) . . ?
C28A C29A C30A 118.98(10) . . ?
C28A C29A C34A 116.99(8) . . ?
C30A C29A C34A 119.69(8) . . ?
C28A C29A Sc2A 105.95(9) . . ?
C30A C29A Sc2A 84.20(7) . . ?
C34A C29A Sc2A 60.32(7) . . ?
C25A C30A C29A 118.58(9) . . ?
C25A C30A C31A 118.56(9) . . ?
C29A C30A C31A 119.14(7) . . ?
C65A C31A C32A 116.99(8) . . ?
C65A C31A C30A 119.00(10) . . ?
C32A C31A C30A 119.63(8) . . ?
C65A C31A Sc2A 106.04(9) . . ?
C32A C31A Sc2A 60.26(7) . . ?
C30A C31A Sc2A 84.10(7) . . ?
C62A C32A C33A 107.59(8) . . ?
C62A C32A C31A 119.41(11) . . ?
C33A C32A C31A 119.75(9) . . ?
C62A C32A Sc2A 75.92(9) . . ?
C33A C32A Sc2A 69.60(8) . . ?
C31A C32A Sc2A 86.83(10) . . ?
C37A C33A C34A 108.11(9) . . ?
C37A C33A C32A 108.10(9) . . ?
C34A C33A C32A 119.90(11) . . ?
C37A C33A Sc2A 72.17(9) . . ?
C34A C33A Sc2A 73.89(9) . . ?
C32A C33A Sc2A 73.75(9) . . ?
C35A C34A C33A 107.60(8) . . ?
C35A C34A C29A 119.19(11) . . ?
C33A C34A C29A 119.65(9) . . ?
C35A C34A Sc2A 75.78(9) . . ?
C33A C34A Sc2A 69.52(8) . . ?
C29A C34A Sc2A 86.65(9) . . ?
C36A C35A C34A 108.47(8) . . ?
C36A C35A C47A 120.08(10) . . ?
C34A C35A C47A 120.03(10) . . ?
C36A C35A Sc2A 69.88(8) . . ?
C34A C35A Sc2A 69.00(8) . . ?
C47A C35A Sc2A 95.90(10) . . ?
C35A C36A C37A 107.65(8) . . ?
C35A C36A C41A 119.12(10) . . ?
C37A C36A C41A 119.63(9) . . ?
C35A C36A Sc2A 75.09(8) . . ?
C37A C36A Sc2A 69.41(8) . . ?
C41A C36A Sc2A 87.34(9) . . ?
C33A C37A C38A 108.02(9) . . ?
C33A C37A C36A 108.01(9) . . ?
C38A C37A C36A 119.88(11) . . ?
C33A C37A Sc2A 71.07(9) . . ?
C38A C37A Sc2A 74.14(9) . . ?
C36A C37A Sc2A 74.26(9) . . ?
C62A C38A C37A 107.68(8) . . ?
C62A C38A C39A 119.18(10) . . ?
C37A C38A C39A 119.73(9) . . ?
C62A C38A Sc2A 75.21(8) . . ?
C37A C38A Sc2A 69.52(8) . . ?
C39A C38A Sc2A 87.38(9) . . ?
C61A C39A C40A 118.80(9) . . ?
C61A C39A C38A 117.08(8) . . ?
C40A C39A C38A 119.59(9) . . ?
C61A C39A Sc2A 105.87(10) . . ?
C40A C39A Sc2A 84.18(10) . . ?
C38A C39A Sc2A 59.98(7) . . ?
C3A C40A C41A 118.73(9) . . ?
C3A C40A C39A 118.60(9) . . ?
C41A C40A C39A 119.48(10) . . ?
C42A C41A C40A 118.85(9) . . ?
C42A C41A C36A 116.99(8) . . ?
C40A C41A C36A 119.64(9) . . ?
C42A C41A Sc2A 105.95(10) . . ?
C40A C41A Sc2A 84.14(10) . . ?
C36A C41A Sc2A 60.00(7) . . ?
C43A C42A C46A 107.60(10) . . ?
C43A C42A C41A 120.37(10) . . ?
C46A C42A C41A 120.29(10) . . ?
C44A C43A C42A 108.31(9) . . ?
C44A C43A C4A 120.37(9) . . ?
C42A C43A C4A 120.21(9) . . ?
C44A C43A Sc1A 81.10(9) . . ?
C42A C43A Sc1A 98.08(10) . . ?
C4A C43A Sc1A 60.74(7) . . ?
C43A C44A C45A 107.81(9) . . ?
C43A C44A C56A 119.83(10) . . ?
C45A C44A C56A 121.02(11) . . ?
C44A C45A C46A 107.94(10) . . ?
C44A C45A C50A 120.23(12) . . ?
C46A C45A C50A 120.22(10) . . ?
C42A C46A C45A 107.85(10) . . ?
C42A C46A C47A 119.92(11) . . ?
C45A C46A C47A 120.19(11) . . ?
C35A C47A C46A 119.02(9) . . ?
C35A C47A C48A 118.97(10) . . ?
C46A C47A C48A 118.54(10) . . ?
C28A C48A C49A 107.89(10) . . ?
C28A C48A C47A 120.14(11) . . ?
C49A C48A C47A 120.29(10) . . ?
C54A C49A C48A 108.08(10) . . ?
C54A C49A C50A 120.44(12) . . ?
C48A C49A C50A 120.26(11) . . ?
C45A C50A C49A 118.52(10) . . ?
C45A C50A C51A 118.65(11) . . ?
C49A C50A C51A 118.64(11) . . ?
C52A C51A C55A 108.11(12) . . ?
C52A C51A C50A 120.58(11) . . ?
C55A C51A C50A 120.47(13) . . ?
C51A C52A C14A 108.07(12) . . ?
C51A C52A C53A 120.65(12) . . ?
C14A C52A C53A 120.70(12) . . ?
C21A C53A C54A 118.92(9) . . ?
C21A C53A C52A 117.96(9) . . ?
C54A C53A C52A 118.14(10) . . ?
C21A C53A Sc3A 62.18(8) . . ?
C54A C53A Sc3A 86.05(10) . . ?
C52A C53A Sc3A 100.20(11) . . ?
C27A C54A C49A 107.77(11) . . ?
C27A C54A C53A 120.23(12) . . ?
C49A C54A C53A 121.01(11) . . ?
C51A C55A C13A 108.13(11) . . ?
C51A C55A C56A 120.60(12) . . ?
C13A C55A C56A 120.57(12) . . ?
C6A C56A C44A 119.21(9) . . ?
C6A C56A C55A 117.95(10) . . ?
C44A C56A C55A 118.35(10) . . ?
C6A C56A Sc1A 61.82(7) . . ?
C44A C56A Sc1A 86.74(9) . . ?
C55A C56A Sc1A 101.01(10) . . ?
C58A C57A C61A 108.30(9) . . ?
C58A C57A C2A 120.43(9) . . ?
C61A C57A C2A 120.12(9) . . ?
C58A C57A Sc1A 80.85(9) . . ?
C61A C57A Sc1A 97.88(10) . . ?
C2A C57A Sc1A 61.07(7) . . ?
C57A C58A C59A 107.71(9) . . ?
C57A C58A C9A 119.99(10) . . ?
C59A C58A C9A 120.49(10) . . ?
C58A C59A C60A 108.08(10) . . ?
C58A C59A C69A 120.46(11) . . ?
C60A C59A C69A 120.32(10) . . ?
C61A C60A C59A 107.92(10) . . ?
C61A C60A C63A 120.07(11) . . ?
C59A C60A C63A 120.26(11) . . ?
C60A C61A C57A 107.52(10) . . ?
C60A C61A C39A 120.35(11) . . ?
C57A C61A C39A 120.58(10) . . ?
C38A C62A C32A 108.43(8) . . ?
C38A C62A C63A 120.00(10) . . ?
C32A C62A C63A 119.91(10) . . ?
C38A C62A Sc2A 69.72(8) . . ?
C32A C62A Sc2A 68.85(8) . . ?
C63A C62A Sc2A 95.85(10) . . ?
C62A C63A C64A 119.07(10) . . ?
C62A C63A C60A 118.86(9) . . ?
C64A C63A C60A 118.50(10) . . ?
C65A C64A C68A 108.05(10) . . ?
C65A C64A C63A 120.05(11) . . ?
C68A C64A C63A 120.39(10) . . ?
C66A C65A C64A 107.57(9) . . ?
C66A C65A C31A 120.54(10) . . ?
C64A C65A C31A 120.08(10) . . ?
C67A C66A C65A 108.31(9) . . ?
C67A C66A C24A 120.33(8) . . ?
C65A C66A C24A 120.09(9) . . ?
C67A C66A Sc3A 80.85(7) . . ?
C65A C66A Sc3A 98.39(9) . . ?
C24A C66A Sc3A 60.50(7) . . ?
C66A C67A C68A 107.67(9) . . ?
C66A C67A C18A 119.88(8) . . ?
C68A C67A C18A 120.42(9) . . ?
C64A C68A C67A 107.96(10) . . ?
C64A C68A C69A 120.02(11) . . ?
C67A C68A C69A 120.30(10) . . ?
C59A C69A C68A 118.46(10) . . ?
C59A C69A C70A 118.81(10) . . ?
C68A C69A C70A 118.96(10) . . ?
C10A C70A C17A 108.08(10) . . ?
C10A C70A C69A 120.23(11) . . ?
C17A C70A C69A 120.34(10) . . ?
N1B Sc1B C6B 136.3(9) . . ?
N1B Sc1B C8B 132.9(10) . . ?
C6B Sc1B C8B 59.08(19) . . ?
N1B Sc1B C1B 160.1(10) . . ?
C6B Sc1B C1B 58.69(18) . . ?
C8B Sc1B C1B 35.31(14) . . ?
N1B Sc1B C5B 164.9(10) . . ?
C6B Sc1B C5B 35.28(12) . . ?
C8B Sc1B C5B 58.68(19) . . ?
C1B Sc1B C5B 34.99(11) . . ?
N1B Sc1B C7B 124.2(10) . . ?
C6B Sc1B C7B 35.00(13) . . ?
C8B Sc1B C7B 34.96(12) . . ?
C1B Sc1B C7B 57.82(19) . . ?
C5B Sc1B C7B 57.80(18) . . ?
N1B Sc1B C2B 133.7(9) . . ?
C6B Sc1B C2B 90.0(3) . . ?
C8B Sc1B C2B 62.2(3) . . ?
C1B Sc1B C2B 34.63(15) . . ?
C5B Sc1B C2B 57.41(19) . . ?
C7B Sc1B C2B 91.7(3) . . ?
N1B Sc1B C4B 137.0(11) . . ?
C6B Sc1B C4B 62.1(2) . . ?
C8B Sc1B C4B 90.0(3) . . ?
C1B Sc1B C4B 57.39(17) . . ?
C5B Sc1B C4B 34.57(11) . . ?
C7B Sc1B C4B 91.6(3) . . ?
C2B Sc1B C4B 56.45(18) . . ?
N1B Sc1B C3B 124.3(10) . . ?
C6B Sc1B C3B 91.5(2) . . ?
C8B Sc1B C3B 91.6(3) . . ?
C1B Sc1B C3B 57.2(2) . . ?
C5B Sc1B C3B 57.17(17) . . ?
C7B Sc1B C3B 111.4(3) . . ?
C2B Sc1B C3B 33.88(13) . . ?
C4B Sc1B C3B 33.82(11) . . ?
N1B Sc1B C9B 103.6(9) . . ?
C6B Sc1B C9B 90.1(3) . . ?
C8B Sc1B C9B 32.92(15) . . ?
C1B Sc1B C9B 59.1(3) . . ?
C5B Sc1B C9B 90.0(3) . . ?
C7B Sc1B C9B 58.6(2) . . ?
C2B Sc1B C9B 68.6(3) . . ?
C4B Sc1B C9B 116.2(4) . . ?
C3B Sc1B C9B 102.5(4) . . ?
N1B Sc1B C56B 108.1(8) . . ?
C6B Sc1B C56B 32.72(16) . . ?
C8B Sc1B C56B 90.0(3) . . ?
C1B Sc1B C56B 89.8(3) . . ?
C5B Sc1B C56B 58.9(2) . . ?
C7B Sc1B C56B 58.6(2) . . ?
C2B Sc1B C56B 116.0(3) . . ?
C4B Sc1B C56B 68.3(3) . . ?
C3B Sc1B C56B 102.1(3) . . ?
C9B Sc1B C56B 117.1(3) . . ?
N1B Sc1B C57B 106.2(8) . . ?
C6B Sc1B C57B 115.2(4) . . ?
C8B Sc1B C57B 67.1(3) . . ?
C1B Sc1B C57B 56.6(3) . . ?
C5B Sc1B C57B 86.9(3) . . ?
C7B Sc1B C57B 102.0(4) . . ?
C2B Sc1B C57B 31.02(16) . . ?
C4B Sc1B C57B 85.7(3) . . ?
C3B Sc1B C57B 55.9(2) . . ?
C9B Sc1B C57B 54.3(3) . . ?
C56B Sc1B C57B 145.7(3) . . ?
N1B Sc2B C33B 165.5(10) . . ?
N1B Sc2B C34B 140.4(9) . . ?
C33B Sc2B C34B 37.37(10) . . ?
N1B Sc2B C37B 155.5(10) . . ?
C33B Sc2B C37B 36.77(9) . . ?
C34B Sc2B C37B 61.47(13) . . ?
N1B Sc2B C32B 131.3(9) . . ?
C33B Sc2B C32B 36.79(9) . . ?
C34B Sc2B C32B 66.07(14) . . ?
C37B Sc2B C32B 60.52(15) . . ?
N1B Sc2B C36B 133.2(9) . . ?
C33B Sc2B C36B 60.97(13) . . ?
C34B Sc2B C36B 60.81(15) . . ?
C37B Sc2B C36B 36.24(8) . . ?
C32B Sc2B C36B 94.14(18) . . ?
N1B Sc2B C35B 127.6(8) . . ?
C33B Sc2B C35B 60.54(15) . . ?
C34B Sc2B C35B 36.16(12) . . ?
C37B Sc2B C35B 59.82(13) . . ?
C32B Sc2B C35B 96.60(19) . . ?
C36B Sc2B C35B 35.52(10) . . ?
N1B Sc2B C38B 125.5(9) . . ?
C33B Sc2B C38B 59.96(16) . . ?
C34B Sc2B C38B 94.12(18) . . ?
C37B Sc2B C38B 35.64(11) . . ?
C32B Sc2B C38B 58.97(18) . . ?
C36B Sc2B C38B 63.51(16) . . ?
C35B Sc2B C38B 94.39(18) . . ?
N1B Sc2B C62B 116.8(8) . . ?
C33B Sc2B C62B 58.86(17) . . ?
C34B Sc2B C62B 95.43(19) . . ?
C37B Sc2B C62B 58.23(18) . . ?
C32B Sc2B C62B 34.72(12) . . ?
C36B Sc2B C62B 93.3(2) . . ?
C35B Sc2B C62B 115.0(2) . . ?
C38B Sc2B C62B 34.22(12) . . ?
N1B Sc2B C29B 109.7(9) . . ?
C33B Sc2B C29B 62.05(17) . . ?
C34B Sc2B C29B 34.19(12) . . ?
C37B Sc2B C29B 94.2(2) . . ?
C32B Sc2B C29B 72.13(16) . . ?
C36B Sc2B C29B 92.8(2) . . ?
C35B Sc2B C29B 60.4(2) . . ?
C38B Sc2B C29B 121.8(2) . . ?
C62B Sc2B C29B 106.84(19) . . ?
N1B Sc2B C31B 104.7(9) . . ?
C33B Sc2B C31B 60.95(13) . . ?
C34B Sc2B C31B 71.97(16) . . ?
C37B Sc2B C31B 92.50(19) . . ?
C32B Sc2B C31B 33.18(9) . . ?
C36B Sc2B C31B 121.9(2) . . ?
C35B Sc2B C31B 108.1(2) . . ?
C38B Sc2B C31B 89.7(2) . . ?
C62B Sc2B C31B 58.25(15) . . ?
C29B Sc2B C31B 57.45(13) . . ?
N1B Sc2B C41B 102.8(9) . . ?
C33B Sc2B C41B 91.71(17) . . ?
C34B Sc2B C41B 91.1(2) . . ?
C37B Sc2B C41B 59.20(13) . . ?
C32B Sc2B C41B 119.3(2) . . ?
C36B Sc2B C41B 32.38(8) . . ?
C35B Sc2B C41B 58.22(13) . . ?
C38B Sc2B C41B 68.47(16) . . ?
C62B Sc2B C41B 102.6(3) . . ?
C29B Sc2B C41B 118.4(3) . . ?
C31B Sc2B C41B 151.7(2) . . ?
N1B Sc3B C19B 143.4(10) . . ?
N1B Sc3B C23B 172.1(9) . . ?
C19B Sc3B C23B 37.07(13) . . ?
N1B Sc3B C20B 126.5(9) . . ?
C19B Sc3B C20B 36.43(12) . . ?
C23B Sc3B C20B 59.35(18) . . ?
N1B Sc3B C24B 137.5(9) . . ?
C19B Sc3B C24B 65.6(2) . . ?
C23B Sc3B C24B 35.61(12) . . ?
C20B Sc3B C24B 94.7(3) . . ?
N1B Sc3B C18B 112.5(9) . . ?
C19B Sc3B C18B 36.55(17) . . ?
C23B Sc3B C18B 64.1(2) . . ?
C20B Sc3B C18B 63.2(2) . . ?
C24B Sc3B C18B 74.3(3) . . ?
N1B Sc3B C21B 129.9(8) . . ?
C19B Sc3B C21B 59.6(2) . . ?
C23B Sc3B C21B 58.0(2) . . ?
C20B Sc3B C21B 34.55(13) . . ?
C24B Sc3B C21B 89.1(3) . . ?
C18B Sc3B C21B 94.2(3) . . ?
N1B Sc3B C22B 151.6(10) . . ?
C19B Sc3B C22B 59.36(19) . . ?
C23B Sc3B C22B 34.58(13) . . ?
C20B Sc3B C22B 57.2(2) . . ?
C24B Sc3B C22B 57.04(18) . . ?
C18B Sc3B C22B 94.3(3) . . ?
C21B Sc3B C22B 33.82(14) . . ?
N1B Sc3B C25B 120.4(9) . . ?
C19B Sc3B C25B 93.2(3) . . ?
C23B Sc3B C25B 56.66(18) . . ?
C20B Sc3B C25B 110.3(3) . . ?
C24B Sc3B C25B 33.39(11) . . ?
C18B Sc3B C25B 107.7(3) . . ?
C21B Sc3B C25B 87.3(3) . . ?
C22B Sc3B C25B 54.99(19) . . ?
N1B Sc3B C66B 112.2(8) . . ?
C19B Sc3B C66B 72.4(3) . . ?
C23B Sc3B C66B 59.9(2) . . ?
C20B Sc3B C66B 108.7(3) . . ?
C24B Sc3B C66B 33.05(13) . . ?
C18B Sc3B C66B 59.2(3) . . ?
C21B Sc3B C66B 117.9(3) . . ?
C22B Sc3B C66B 89.0(2) . . ?
C25B Sc3B C66B 57.21(17) . . ?
N1B Sc3B C26B 126.7(10) . . ?
C19B Sc3B C26B 89.3(3) . . ?
C23B Sc3B C26B 55.6(2) . . ?
C20B Sc3B C26B 88.7(3) . . ?
C24B Sc3B C26B 54.75(18) . . ?
C18B Sc3B C26B 119.5(3) . . ?
C21B Sc3B C26B 58.4(2) . . ?
C22B Sc3B C26B 32.60(14) . . ?
C25B Sc3B C26B 32.02(12) . . ?
C66B Sc3B C26B 85.8(2) . . ?
N1B Sc3B C67B 103.7(8) . . ?
C19B Sc3B C67B 60.6(3) . . ?
C23B Sc3B C67B 69.5(3) . . ?
C20B Sc3B C67B 94.0(3) . . ?
C24B Sc3B C67B 58.5(2) . . ?
C18B Sc3B C67B 32.61(17) . . ?
C21B Sc3B C67B 119.5(3) . . ?
C22B Sc3B C67B 104.0(3) . . ?
C25B Sc3B C67B 87.7(3) . . ?
C66B Sc3B C67B 31.02(14) . . ?
C26B Sc3B C67B 113.1(3) . . ?
Sc2B N1B Sc1B 107.9(16) . . ?
Sc2B N1B Sc3B 103.8(14) . . ?
Sc1B N1B Sc3B 148.4(18) . . ?
C5B C1B C2B 107.82(9) . . ?
C5B C1B C8B 108.10(9) . . ?
C2B C1B C8B 119.46(10) . . ?
C5B C1B Sc1B 72.6(3) . . ?
C2B C1B Sc1B 75.0(3) . . ?
C8B C1B Sc1B 71.5(2) . . ?
C3B C2B C1B 108.49(9) . . ?
C3B C2B C57B 119.69(9) . . ?
C1B C2B C57B 118.99(9) . . ?
C3B C2B Sc1B 74.7(3) . . ?
C1B C2B Sc1B 70.3(2) . . ?
C57B C2B Sc1B 87.9(3) . . ?
C4B C3B C2B 107.34(8) . . ?
C4B C3B C40B 120.25(10) . . ?
C2B C3B C40B 120.36(10) . . ?
C4B C3B Sc1B 71.7(3) . . ?
C2B C3B Sc1B 71.5(3) . . ?
C40B C3B Sc1B 90.6(2) . . ?
C3B C4B C5B 108.48(9) . . ?
C3B C4B C43B 119.69(9) . . ?
C5B C4B C43B 118.92(9) . . ?
C3B C4B Sc1B 74.5(3) . . ?
C5B C4B Sc1B 70.2(2) . . ?
C43B C4B Sc1B 88.1(3) . . ?
C1B C5B C6B 108.04(10) . . ?
C1B C5B C4B 107.88(9) . . ?
C6B C5B C4B 119.30(10) . . ?
C1B C5B Sc1B 72.4(3) . . ?
C6B C5B Sc1B 71.3(3) . . ?
C4B C5B Sc1B 75.2(2) . . ?
C5B C6B C56B 119.70(9) . . ?
C5B C6B C7B 107.86(9) . . ?
C56B C6B C7B 119.96(10) . . ?
C5B C6B Sc1B 73.4(2) . . ?
C56B C6B Sc1B 85.0(3) . . ?
C7B C6B Sc1B 75.1(2) . . ?
C8B C7B C6B 107.75(9) . . ?
C8B C7B C12B 120.22(10) . . ?
C6B C7B C12B 120.03(10) . . ?
C8B C7B Sc1B 70.0(3) . . ?
C6B C7B Sc1B 69.9(3) . . ?
C12B C7B Sc1B 93.9(2) . . ?
C1B C8B C7B 107.79(9) . . ?
C1B C8B C9B 119.67(9) . . ?
C7B C8B C9B 119.53(9) . . ?
C1B C8B Sc1B 73.2(2) . . ?
C7B C8B Sc1B 75.0(3) . . ?
C9B C8B Sc1B 84.6(3) . . ?
C8B C9B C10B 118.04(10) . . ?
C8B C9B C58B 118.81(9) . . ?
C10B C9B C58B 118.79(9) . . ?
C8B C9B Sc1B 62.45(18) . . ?
C10B C9B Sc1B 101.4(2) . . ?
C58B C9B Sc1B 86.0(2) . . ?
C70B C10B C11B 108.06(9) . . ?
C70B C10B C9B 120.44(11) . . ?
C11B C10B C9B 120.50(11) . . ?
C10B C11B C16B 107.90(10) . . ?
C10B C11B C12B 119.77(13) . . ?
C16B C11B C12B 120.57(10) . . ?
C7B C12B C11B 118.42(11) . . ?
C7B C12B C13B 118.39(11) . . ?
C11B C12B C13B 118.97(10) . . ?
C55B C13B C14B 107.77(11) . . ?
C55B C13B C12B 119.67(13) . . ?
C14B C13B C12B 120.39(10) . . ?
C52B C14B C13B 107.75(11) . . ?
C52B C14B C15B 120.20(12) . . ?
C13B C14B C15B 120.62(11) . . ?
C16B C15B C20B 118.41(9) . . ?
C16B C15B C14B 118.82(10) . . ?
C20B C15B C14B 118.12(10) . . ?
C16B C15B Sc3B 91.6(3) . . ?
C20B C15B Sc3B 56.79(18) . . ?
C14B C15B Sc3B 100.5(2) . . ?
C11B C16B C17B 107.83(10) . . ?
C11B C16B C15B 120.52(10) . . ?
C17B C16B C15B 120.04(12) . . ?
C70B C17B C16B 107.93(10) . . ?
C70B C17B C18B 120.35(10) . . ?
C16B C17B C18B 120.35(11) . . ?
C19B C18B C67B 119.06(8) . . ?
C19B C18B C17B 118.17(9) . . ?
C67B C18B C17B 118.77(9) . . ?
C19B C18B Sc3B 64.7(2) . . ?
C67B C18B Sc3B 85.1(2) . . ?
C17B C18B Sc3B 100.9(2) . . ?
C23B C19B C20B 107.66(9) . . ?
C23B C19B C18B 119.60(9) . . ?
C20B C19B C18B 119.67(11) . . ?
C23B C19B Sc3B 76.0(2) . . ?
C20B C19B Sc3B 78.7(3) . . ?
C18B C19B Sc3B 78.8(3) . . ?
C19B C20B C21B 107.77(8) . . ?
C19B C20B C15B 119.83(11) . . ?
C21B C20B C15B 119.99(11) . . ?
C19B C20B Sc3B 64.9(3) . . ?
C21B C20B Sc3B 76.0(3) . . ?
C15B C20B Sc3B 92.4(2) . . ?
C22B C21B C20B 107.86(9) . . ?
C22B C21B C53B 119.31(10) . . ?
C20B C21B C53B 119.80(11) . . ?
C22B C21B Sc3B 73.51(19) . . ?
C20B C21B Sc3B 69.4(3) . . ?
C53B C21B Sc3B 89.6(3) . . ?
C23B C22B C21B 108.03(9) . . ?
C23B C22B C26B 107.79(9) . . ?
C21B C22B C26B 119.87(11) . . ?
C23B C22B Sc3B 66.6(3) . . ?
C21B C22B Sc3B 72.7(2) . . ?
C26B C22B Sc3B 79.5(2) . . ?
C22B C23B C24B 107.90(10) . . ?
C22B C23B C19B 108.23(9) . . ?
C24B C23B C19B 119.55(10) . . ?
C22B C23B Sc3B 78.8(3) . . ?
C24B C23B Sc3B 74.7(2) . . ?
C19B C23B Sc3B 67.0(2) . . ?
C25B C24B C23B 108.49(9) . . ?
C25B C24B C66B 119.78(10) . . ?
C23B C24B C66B 118.91(8) . . ?
C25B C24B Sc3B 80.7(3) . . ?
C23B C24B Sc3B 69.7(2) . . ?
C66B C24B Sc3B 83.0(3) . . ?
C24B C25B C26B 107.37(8) . . ?
C24B C25B C30B 120.37(9) . . ?
C26B C25B C30B 120.33(9) . . ?
C24B C25B Sc3B 65.9(3) . . ?
C26B C25B Sc3B 76.0(3) . . ?
C30B C25B Sc3B 92.02(18) . . ?
C25B C26B C27B 119.56(10) . . ?
C25B C26B C22B 108.45(8) . . ?
C27B C26B C22B 118.74(9) . . ?
C25B C26B Sc3B 71.9(2) . . ?
C27B C26B Sc3B 92.4(2) . . ?
C22B C26B Sc3B 67.86(17) . . ?
C54B C27B C28B 108.28(10) . . ?
C54B C27B C26B 120.54(11) . . ?
C28B C27B C26B 120.31(10) . . ?
C48B C28B C27B 107.53(10) . . ?
C48B C28B C29B 120.19(10) . . ?
C27B C28B C29B 120.46(10) . . ?
C28B C29B C30B 118.98(10) . . ?
C28B C29B C34B 116.99(8) . . ?
C30B C29B C34B 119.69(8) . . ?
C28B C29B Sc2B 105.31(18) . . ?
C30B C29B Sc2B 84.65(16) . . ?
C34B C29B Sc2B 60.42(13) . . ?
C25B C30B C29B 118.58(9) . . ?
C25B C30B C31B 118.56(9) . . ?
C29B C30B C31B 119.14(8) . . ?
C25B C30B Sc2B 124.39(13) . . ?
C29B C30B Sc2B 64.77(18) . . ?
C31B C30B Sc2B 67.10(19) . . ?
C65B C31B C32B 116.99(8) . . ?
C65B C31B C30B 119.00(10) . . ?
C32B C31B C30B 119.63(8) . . ?
C65B C31B Sc2B 107.28(17) . . ?
C32B C31B Sc2B 61.08(16) . . ?
C30B C31B Sc2B 82.3(2) . . ?
C62B C32B C33B 107.59(8) . . ?
C62B C32B C31B 119.41(11) . . ?
C33B C32B C31B 119.75(9) . . ?
C62B C32B Sc2B 78.1(2) . . ?
C33B C32B Sc2B 68.63(17) . . ?
C31B C32B Sc2B 85.73(17) . . ?
C37B C33B C34B 108.11(9) . . ?
C37B C33B C32B 108.10(9) . . ?
C34B C33B C32B 119.90(11) . . ?
C37B C33B Sc2B 73.66(19) . . ?
C34B C33B Sc2B 71.8(3) . . ?
C32B C33B Sc2B 74.6(2) . . ?
C35B C34B C33B 107.60(8) . . ?
C35B C34B C29B 119.19(11) . . ?
C33B C34B C29B 119.65(9) . . ?
C35B C34B Sc2B 75.79(17) . . ?
C33B C34B Sc2B 70.8(2) . . ?
C29B C34B Sc2B 85.40(19) . . ?
C36B C35B C34B 108.47(8) . . ?
C36B C35B C47B 120.08(10) . . ?
C34B C35B C47B 120.03(10) . . ?
C36B C35B Sc2B 71.6(2) . . ?
C34B C35B Sc2B 68.05(15) . . ?
C47B C35B Sc2B 95.2(2) . . ?
C35B C36B C37B 107.65(8) . . ?
C35B C36B C41B 119.12(10) . . ?
C37B C36B C41B 119.63(9) . . ?
C35B C36B Sc2B 72.9(2) . . ?
C37B C36B Sc2B 70.3(2) . . ?
C41B C36B Sc2B 88.57(16) . . ?
C33B C37B C38B 108.02(9) . . ?
C33B C37B C36B 108.01(9) . . ?
C38B C37B C36B 119.88(11) . . ?
C33B C37B Sc2B 69.57(17) . . ?
C38B C37B Sc2B 76.2(2) . . ?
C36B C37B Sc2B 73.5(2) . . ?
C62B C38B C37B 107.68(8) . . ?
C62B C38B C39B 119.18(10) . . ?
C37B C38B C39B 119.73(9) . . ?
C62B C38B Sc2B 75.25(16) . . ?
C37B C38B Sc2B 68.14(18) . . ?
C39B C38B Sc2B 88.67(16) . . ?
C61B C39B C40B 118.80(9) . . ?
C61B C39B C38B 117.08(8) . . ?
C40B C39B C38B 119.59(9) . . ?
C61B C39B Sc2B 106.62(16) . . ?
C40B C39B Sc2B 83.80(17) . . ?
C38B C39B Sc2B 59.74(13) . . ?
C3B C40B C41B 118.73(9) . . ?
C3B C40B C39B 118.61(9) . . ?
C41B C40B C39B 119.48(10) . . ?
C42B C41B C40B 118.85(9) . . ?
C42B C41B C36B 116.99(8) . . ?
C40B C41B C36B 119.64(9) . . ?
C42B C41B Sc2B 104.9(2) . . ?
C40B C41B Sc2B 85.9(2) . . ?
C36B C41B Sc2B 59.06(13) . . ?
C43B C42B C46B 107.60(10) . . ?
C43B C42B C41B 120.37(10) . . ?
C46B C42B C41B 120.29(10) . . ?
C44B C43B C42B 108.31(9) . . ?
C44B C43B C4B 120.37(9) . . ?
C42B C43B C4B 120.21(9) . . ?
C44B C43B Sc1B 81.1(3) . . ?
C42B C43B Sc1B 97.74(18) . . ?
C4B C43B Sc1B 61.0(2) . . ?
C43B C44B C45B 107.81(9) . . ?
C43B C44B C56B 119.83(10) . . ?
C45B C44B C56B 121.02(11) . . ?
C44B C45B C46B 107.94(10) . . ?
C44B C45B C50B 120.23(12) . . ?
C46B C45B C50B 120.22(10) . . ?
C42B C46B C45B 107.85(10) . . ?
C42B C46B C47B 119.92(11) . . ?
C45B C46B C47B 120.19(11) . . ?
C35B C47B C46B 119.02(9) . . ?
C35B C47B C48B 118.97(10) . . ?
C46B C47B C48B 118.54(10) . . ?
C28B C48B C49B 107.89(10) . . ?
C28B C48B C47B 120.14(11) . . ?
C49B C48B C47B 120.29(10) . . ?
C54B C49B C48B 108.08(10) . . ?
C54B C49B C50B 120.44(12) . . ?
C48B C49B C50B 120.26(11) . . ?
C45B C50B C49B 118.52(10) . . ?
C45B C50B C51B 118.65(11) . . ?
C49B C50B C51B 118.64(11) . . ?
C52B C51B C55B 108.11(12) . . ?
C52B C51B C50B 120.58(11) . . ?
C55B C51B C50B 120.47(13) . . ?
C51B C52B C14B 108.07(12) . . ?
C51B C52B C53B 120.65(12) . . ?
C14B C52B C53B 120.70(12) . . ?
C21B C53B C54B 118.92(9) . . ?
C21B C53B C52B 117.96(9) . . ?
C54B C53B C52B 118.14(10) . . ?
C21B C53B Sc3B 59.86(17) . . ?
C54B C53B Sc3B 89.6(2) . . ?
C52B C53B Sc3B 98.88(19) . . ?
C27B C54B C49B 107.77(11) . . ?
C27B C54B C53B 120.23(12) . . ?
C49B C54B C53B 121.01(11) . . ?
C51B C55B C13B 108.13(11) . . ?
C51B C55B C56B 120.60(12) . . ?
C13B C55B C56B 120.57(12) . . ?
C6B C56B C44B 119.21(9) . . ?
C6B C56B C55B 117.95(10) . . ?
C44B C56B C55B 118.35(10) . . ?
C6B C56B Sc1B 62.2(2) . . ?
C44B C56B Sc1B 86.3(2) . . ?
C55B C56B Sc1B 101.11(19) . . ?
C58B C57B C61B 108.30(9) . . ?
C58B C57B C2B 120.43(9) . . ?
C61B C57B C2B 120.12(9) . . ?
C58B C57B Sc1B 81.2(2) . . ?
C61B C57B Sc1B 97.50(19) . . ?
C2B C57B Sc1B 61.03(17) . . ?
C57B C58B C59B 107.71(9) . . ?
C57B C58B C9B 119.99(10) . . ?
C59B C58B C9B 120.49(10) . . ?
C58B C59B C60B 108.08(10) . . ?
C58B C59B C69B 120.46(11) . . ?
C60B C59B C69B 120.32(10) . . ?
C61B C60B C59B 107.92(10) . . ?
C61B C60B C63B 120.07(11) . . ?
C59B C60B C63B 120.25(11) . . ?
C60B C61B C57B 107.52(10) . . ?
C60B C61B C39B 120.35(11) . . ?
C57B C61B C39B 120.58(10) . . ?
C38B C62B C32B 108.43(8) . . ?
C38B C62B C63B 120.00(10) . . ?
C32B C62B C63B 119.91(10) . . ?
C38B C62B Sc2B 70.54(15) . . ?
C32B C62B Sc2B 67.16(18) . . ?
C63B C62B Sc2B 96.73(17) . . ?
C62B C63B C64B 119.07(10) . . ?
C62B C63B C60B 118.86(9) . . ?
C64B C63B C60B 118.51(10) . . ?
C65B C64B C68B 108.05(10) . . ?
C65B C64B C63B 120.05(11) . . ?
C68B C64B C63B 120.39(10) . . ?
C66B C65B C64B 107.57(9) . . ?
C66B C65B C31B 120.54(10) . . ?
C64B C65B C31B 120.08(10) . . ?
C67B C66B C65B 108.31(9) . . ?
C67B C66B C24B 120.33(8) . . ?
C65B C66B C24B 120.09(9) . . ?
C67B C66B Sc3B 76.5(2) . . ?
C65B C66B Sc3B 98.96(18) . . ?
C24B C66B Sc3B 64.0(2) . . ?
C66B C67B C68B 107.67(9) . . ?
C66B C67B C18B 119.88(8) . . ?
C68B C67B C18B 120.42(9) . . ?
C66B C67B Sc3B 72.45(18) . . ?
C68B C67B Sc3B 105.2(2) . . ?
C18B C67B Sc3B 62.32(17) . . ?
C64B C68B C67B 107.96(10) . . ?
C64B C68B C69B 120.02(11) . . ?
C67B C68B C69B 120.30(10) . . ?
C59B C69B C68B 118.46(10) . . ?
C59B C69B C70B 118.81(10) . . ?
C68B C69B C70B 118.96(10) . . ?
C10B C70B C17B 108.08(10) . . ?
C10B C70B C69B 120.23(11) . . ?
C17B C70B C69B 120.34(10) . . ?
C2S C1S C3S 118.6(10) . . ?
C2S C1S H1S 120.7 . . ?
C3S C1S H1S 120.7 . . ?
C1S C2S C3S 122.5(10) . 3_756 ?
C1S C2S H2S 118.8 . . ?
C3S C2S H2S 118.8 3_756 . ?
C2S C3S C1S 118.9(10) 3_756 . ?
C2S C3S H3S 120.5 3_756 . ?
C1S C3S H3S 120.5 . . ?
C9S C4S C5S 120.8(9) . . ?
C9S C4S C10S 121.7(7) . . ?
C5S C4S C10S 117.5(8) . . ?
C4S C5S C6S 118.7(7) . . ?
C4S C5S H5S 120.6 . . ?
C6S C5S H5S 120.6 . . ?
C7S C6S C5S 119.2(7) . . ?
C7S C6S H6S 120.4 . . ?
C5S C6S H6S 120.4 . . ?
C6S C7S C8S 121.6(9) . . ?
C6S C7S H7S 119.2 . . ?
C8S C7S H7S 119.2 . . ?
C7S C8S C9S 118.9(7) . . ?
C7S C8S H8S 120.5 . . ?
C9S C8S H8S 120.5 . . ?
C4S C9S C8S 120.7(7) . . ?
C4S C9S H9S 119.6 . . ?
C8S C9S H9S 119.6 . . ?
C4S C10S H10A 109.5 . . ?
C4S C10S H10B 109.5 . . ?
H10A C10S H10B 109.5 . . ?
C4S C10S H10C 109.5 . . ?
H10A C10S H10C 109.5 . . ?
H10B C10S H10C 109.5 . . ?
N3P Ni1P N2P 90.01(7) . . ?
N3P Ni1P N1P 178.30(8) . . ?
N2P Ni1P N1P 90.23(7) . . ?
N3P Ni1P N4P 89.96(7) . . ?
N2P Ni1P N4P 177.03(8) . . ?
N1P Ni1P N4P 89.72(7) . . ?
C1P N1P C4P 103.94(14) . . ?
C1P N1P Ni1P 128.31(10) . . ?
C4P N1P Ni1P 127.67(13) . . ?
C6P N2P C9P 104.81(13) . . ?
C6P N2P Ni1P 127.50(13) . . ?
C9P N2P Ni1P 127.66(10) . . ?
C14P N3P C11P 103.90(13) . . ?
C14P N3P Ni1P 127.68(13) . . ?
C11P N3P Ni1P 128.41(10) . . ?
C19P N4P C16P 104.06(14) . . ?
C19P N4P Ni1P 127.84(10) . . ?
C16P N4P Ni1P 128.08(13) . . ?
C20P C1P N1P 124.28(17) . . ?
C20P C1P C2P 123.99(19) . . ?
N1P C1P C2P 111.70(14) . . ?
C3P C2P C1P 106.50(16) . . ?
C3P C2P C21P 128.81(19) . . ?
C1P C2P C21P 124.59(19) . . ?
C2P C3P C4P 107.28(14) . . ?
C2P C3P C23P 129.0(2) . . ?
C4P C3P C23P 123.65(19) . . ?
C5P C4P N1P 124.82(17) . . ?
C5P C4P C3P 124.58(15) . . ?
N1P C4P C3P 110.58(15) . . ?
C4P C5P C6P 124.55(18) . . ?
C4P C5P H5P 117.7 . . ?
C6P C5P H5P 117.7 . . ?
C5P C6P N2P 125.19(17) . . ?
C5P C6P C7P 123.87(15) . . ?
N2P C6P C7P 110.92(15) . . ?
C8P C7P C6P 106.66(14) . . ?
C8P C7P C25P 129.3(2) . . ?
C6P C7P C25P 123.9(2) . . ?
C7P C8P C9P 107.00(16) . . ?
C7P C8P C27P 127.9(2) . . ?
C9P C8P C27P 124.97(19) . . ?
C10P C9P N2P 125.09(16) . . ?
C10P C9P C8P 124.31(19) . . ?
N2P C9P C8P 110.58(14) . . ?
C9P C10P C11P 124.8(2) . . ?
C9P C10P H10P 117.6 . . ?
C11P C10P H10P 117.6 . . ?
C10P C11P N3P 123.98(16) . . ?
C10P C11P C12P 124.98(19) . . ?
N3P C11P C12P 111.02(13) . . ?
C13P C12P C11P 107.16(15) . . ?
C13P C12P C29P 127.74(19) . . ?
C11P C12P C29P 125.00(19) . . ?
C12P C13P C14P 106.13(13) . . ?
C12P C13P C31P 129.4(2) . . ?
C14P C13P C31P 124.5(2) . . ?
C15P C14P N3P 125.58(17) . . ?
C15P C14P C13P 122.61(15) . . ?
N3P C14P C13P 111.78(15) . . ?
C14P C15P C16P 123.92(18) . . ?
C14P C15P H15P 118.0 . . ?
C16P C15P H15P 118.0 . . ?
C15P C16P N4P 124.77(17) . . ?
C15P C16P C17P 123.55(15) . . ?
N4P C16P C17P 111.68(15) . . ?
C18P C17P C16P 105.83(14) . . ?
C18P C17P C33P 129.2(2) . . ?
C16P C17P C33P 124.95(19) . . ?
C17P C18P C19P 107.26(16) . . ?
C17P C18P C35P 129.24(19) . . ?
C19P C18P C35P 123.41(19) . . ?
C20P C19P N4P 125.01(17) . . ?
C20P C19P C18P 123.81(19) . . ?
N4P C19P C18P 111.17(14) . . ?
C19P C20P C1P 124.8(2) . . ?
C19P C20P H20P 117.6 . . ?
C1P C20P H20P 117.6 . . ?
C2P C21P C22P 112.6(2) . . ?
C2P C21P H21A 109.1 . . ?
C22P C21P H21A 109.1 . . ?
C2P C21P H21B 109.1 . . ?
C22P C21P H21B 109.1 . . ?
H21A C21P H21B 107.8 . . ?
C21P C22P H22A 109.5 . . ?
C21P C22P H22B 109.5 . . ?
H22A C22P H22B 109.5 . . ?
C21P C22P H22C 109.5 . . ?
H22A C22P H22C 109.5 . . ?
H22B C22P H22C 109.5 . . ?
C3P C23P C24P 112.2(2) . . ?
C3P C23P H23A 109.2 . . ?
C24P C23P H23A 109.2 . . ?
C3P C23P H23B 109.2 . . ?
C24P C23P H23B 109.2 . . ?
H23A C23P H23B 107.9 . . ?
C23P C24P H24A 109.5 . . ?
C23P C24P H24B 109.5 . . ?
H24A C24P H24B 109.5 . . ?
C23P C24P H24C 109.5 . . ?
H24A C24P H24C 109.5 . . ?
H24B C24P H24C 109.5 . . ?
C7P C25P C26P 112.6(2) . . ?
C7P C25P H25A 109.1 . . ?
C26P C25P H25A 109.1 . . ?
C7P C25P H25B 109.1 . . ?
C26P C25P H25B 109.1 . . ?
H25A C25P H25B 107.8 . . ?
C25P C26P H26A 109.5 . . ?
C25P C26P H26B 109.5 . . ?
H26A C26P H26B 109.5 . . ?
C25P C26P H26C 109.5 . . ?
H26A C26P H26C 109.5 . . ?
H26B C26P H26C 109.5 . . ?
C8P C27P C28P 111.8(2) . . ?
C8P C27P H27A 109.2 . . ?
C28P C27P H27A 109.2 . . ?
C8P C27P H27B 109.2 . . ?
C28P C27P H27B 109.2 . . ?
H27A C27P H27B 107.9 . . ?
C27P C28P H28A 109.5 . . ?
C27P C28P H28B 109.5 . . ?
H28A C28P H28B 109.5 . . ?
C27P C28P H28C 109.5 . . ?
H28A C28P H28C 109.5 . . ?
H28B C28P H28C 109.5 . . ?
C12P C29P C30P 113.1(2) . . ?
C12P C29P H29A 109.0 . . ?
C30P C29P H29A 109.0 . . ?
C12P C29P H29B 109.0 . . ?
C30P C29P H29B 109.0 . . ?
H29A C29P H29B 107.8 . . ?
C29P C30P H30A 109.5 . . ?
C29P C30P H30B 109.5 . . ?
H30A C30P H30B 109.5 . . ?
C29P C30P H30C 109.5 . . ?
H30A C30P H30C 109.5 . . ?
H30B C30P H30C 109.5 . . ?
C13P C31P C32P 113.5(2) . . ?
C13P C31P H31A 108.9 . . ?
C32P C31P H31A 108.9 . . ?
C13P C31P H31B 108.9 . . ?
C32P C31P H31B 108.9 . . ?
H31A C31P H31B 107.7 . . ?
C31P C32P H32A 109.5 . . ?
C31P C32P H32B 109.5 . . ?
H32A C32P H32B 109.5 . . ?
C31P C32P H32C 109.5 . . ?
H32A C32P H32C 109.5 . . ?
H32B C32P H32C 109.5 . . ?
C17P C33P C34P 112.3(2) . . ?
C17P C33P H33A 109.1 . . ?
C34P C33P H33A 109.1 . . ?
C17P C33P H33B 109.1 . . ?
C34P C33P H33B 109.1 . . ?
H33A C33P H33B 107.9 . . ?
C33P C34P H34A 109.5 . . ?
C33P C34P H34B 109.5 . . ?
H34A C34P H34B 109.5 . . ?
C33P C34P H34C 109.5 . . ?
H34A C34P H34C 109.5 . . ?
H34B C34P H34C 109.5 . . ?
C18P C35P C36P 112.0(2) . . ?
C18P C35P H35A 109.2 . . ?
C36P C35P H35A 109.2 . . ?
C18P C35P H35B 109.2 . . ?
C36P C35P H35B 109.2 . . ?
H35A C35P H35B 107.9 . . ?
C35P C36P H36A 109.5 . . ?
C35P C36P H36B 109.5 . . ?
H36A C36P H36B 109.5 . . ?
C35P C36P H36C 109.5 . . ?
H36A C36P H36C 109.5 . . ?
H36B C36P H36C 109.5 . . ?
N3Q Ni1Q N2Q 90.01(7) . . ?
N3Q Ni1Q N1Q 178.03(11) . . ?
N2Q Ni1Q N1Q 90.22(7) . . ?
N3Q Ni1Q N4Q 89.95(7) . . ?
N2Q Ni1Q N4Q 177.25(11) . . ?
N1Q Ni1Q N4Q 89.72(7) . . ?
C1Q N1Q C4Q 103.94(14) . . ?
C1Q N1Q Ni1Q 128.31(10) . . ?
C4Q N1Q Ni1Q 127.67(13) . . ?
C6Q N2Q C9Q 104.81(13) . . ?
C6Q N2Q Ni1Q 127.50(13) . . ?
C9Q N2Q Ni1Q 127.67(10) . . ?
C14Q N3Q C11Q 103.89(13) . . ?
C14Q N3Q Ni1Q 127.67(13) . . ?
C11Q N3Q Ni1Q 128.41(10) . . ?
C19Q N4Q C16Q 104.06(14) . . ?
C19Q N4Q Ni1Q 127.85(10) . . ?
C16Q N4Q Ni1Q 128.09(13) . . ?
C20Q C1Q N1Q 124.28(17) . . ?
C20Q C1Q C2Q 123.99(19) . . ?
N1Q C1Q C2Q 111.70(14) . . ?
C3Q C2Q C1Q 106.50(16) . . ?
C3Q C2Q C21Q 128.81(19) . . ?
C1Q C2Q C21Q 124.59(19) . . ?
C2Q C3Q C4Q 107.28(14) . . ?
C2Q C3Q C23Q 129.0(2) . . ?
C4Q C3Q C23Q 123.65(19) . . ?
C5Q C4Q N1Q 124.83(17) . . ?
C5Q C4Q C3Q 124.58(15) . . ?
N1Q C4Q C3Q 110.58(15) . . ?
C4Q C5Q C6Q 124.55(18) . . ?
C4Q C5Q H5Q 117.7 . . ?
C6Q C5Q H5Q 117.7 . . ?
C5Q C6Q N2Q 125.19(17) . . ?
C5Q C6Q C7Q 123.87(15) . . ?
N2Q C6Q C7Q 110.92(15) . . ?
C8Q C7Q C6Q 106.66(14) . . ?
C8Q C7Q C25Q 129.3(2) . . ?
C6Q C7Q C25Q 123.9(2) . . ?
C7Q C8Q C9Q 107.00(16) . . ?
C7Q C8Q C27Q 127.9(2) . . ?
C9Q C8Q C27Q 125.0(2) . . ?
C10Q C9Q N2Q 125.10(16) . . ?
C10Q C9Q C8Q 124.31(19) . . ?
N2Q C9Q C8Q 110.59(14) . . ?
C9Q C10Q C11Q 124.8(2) . . ?
C9Q C10Q H10Q 117.6 . . ?
C11Q C10Q H10Q 117.6 . . ?
C10Q C11Q N3Q 123.98(16) . . ?
C10Q C11Q C12Q 124.98(19) . . ?
N3Q C11Q C12Q 111.02(14) . . ?
C13Q C12Q C11Q 107.16(15) . . ?
C13Q C12Q C29Q 127.74(19) . . ?
C11Q C12Q C29Q 125.0(2) . . ?
C12Q C13Q C14Q 106.13(13) . . ?
C12Q C13Q C31Q 129.4(2) . . ?
C14Q C13Q C31Q 124.5(2) . . ?
C15Q C14Q N3Q 125.58(17) . . ?
C15Q C14Q C13Q 122.61(15) . . ?
N3Q C14Q C13Q 111.78(15) . . ?
C14Q C15Q C16Q 123.91(18) . . ?
C14Q C15Q H15Q 118.0 . . ?
C16Q C15Q H15Q 118.0 . . ?
C15Q C16Q N4Q 124.76(17) . . ?
C15Q C16Q C17Q 123.54(15) . . ?
N4Q C16Q C17Q 111.68(15) . . ?
C18Q C17Q C16Q 105.83(14) . . ?
C18Q C17Q C33Q 129.2(2) . . ?
C16Q C17Q C33Q 124.95(19) . . ?
C17Q C18Q C19Q 107.26(16) . . ?
C17Q C18Q C35Q 129.24(19) . . ?
C19Q C18Q C35Q 123.41(19) . . ?
C20Q C19Q N4Q 125.01(17) . . ?
C20Q C19Q C18Q 123.81(19) . . ?
N4Q C19Q C18Q 111.17(14) . . ?
C19Q C20Q C1Q 124.8(2) . . ?
C19Q C20Q H20Q 117.6 . . ?
C1Q C20Q H20Q 117.6 . . ?
C2Q C21Q C22Q 112.6(2) . . ?
C2Q C21Q H21C 109.1 . . ?
C22Q C21Q H21C 109.1 . . ?
C2Q C21Q H21D 109.1 . . ?
C22Q C21Q H21D 109.1 . . ?
H21C C21Q H21D 107.8 . . ?
C21Q C22Q H22D 109.5 . . ?
C21Q C22Q H22E 109.5 . . ?
H22D C22Q H22E 109.5 . . ?
C21Q C22Q H22F 109.5 . . ?
H22D C22Q H22F 109.5 . . ?
H22E C22Q H22F 109.5 . . ?
C3Q C23Q C24Q 112.2(2) . . ?
C3Q C23Q H23C 109.2 . . ?
C24Q C23Q H23C 109.2 . . ?
C3Q C23Q H23D 109.2 . . ?
C24Q C23Q H23D 109.2 . . ?
H23C C23Q H23D 107.9 . . ?
C23Q C24Q H24D 109.5 . . ?
C23Q C24Q H24E 109.5 . . ?
H24D C24Q H24E 109.5 . . ?
C23Q C24Q H24F 109.5 . . ?
H24D C24Q H24F 109.5 . . ?
H24E C24Q H24F 109.5 . . ?
C7Q C25Q C26Q 112.6(2) . . ?
C7Q C25Q H25C 109.1 . . ?
C26Q C25Q H25C 109.1 . . ?
C7Q C25Q H25D 109.1 . . ?
C26Q C25Q H25D 109.1 . . ?
H25C C25Q H25D 107.8 . . ?
C25Q C26Q H26D 109.5 . . ?
C25Q C26Q H26E 109.5 . . ?
H26D C26Q H26E 109.5 . . ?
C25Q C26Q H26F 109.5 . . ?
H26D C26Q H26F 109.5 . . ?
H26E C26Q H26F 109.5 . . ?
C8Q C27Q C28Q 111.8(2) . . ?
C8Q C27Q H27C 109.2 . . ?
C28Q C27Q H27C 109.3 . . ?
C8Q C27Q H27D 109.2 . . ?
C28Q C27Q H27D 109.2 . . ?
H27C C27Q H27D 107.9 . . ?
C27Q C28Q H28D 109.5 . . ?
C27Q C28Q H28E 109.5 . . ?
H28D C28Q H28E 109.5 . . ?
C27Q C28Q H28F 109.5 . . ?
H28D C28Q H28F 109.5 . . ?
H28E C28Q H28F 109.5 . . ?
C12Q C29Q C30Q 113.1(2) . . ?
C12Q C29Q H29C 109.0 . . ?
C30Q C29Q H29C 109.0 . . ?
C12Q C29Q H29D 109.0 . . ?
C30Q C29Q H29D 109.0 . . ?
H29C C29Q H29D 107.8 . . ?
C29Q C30Q H30D 109.5 . . ?
C29Q C30Q H30E 109.5 . . ?
H30D C30Q H30E 109.5 . . ?
C29Q C30Q H30F 109.5 . . ?
H30D C30Q H30F 109.5 . . ?
H30E C30Q H30F 109.5 . . ?
C13Q C31Q C32Q 113.5(2) . . ?
C13Q C31Q H31C 108.9 . . ?
C32Q C31Q H31C 108.9 . . ?
C13Q C31Q H31D 108.9 . . ?
C32Q C31Q H31D 108.9 . . ?
H31C C31Q H31D 107.7 . . ?
C31Q C32Q H32D 109.5 . . ?
C31Q C32Q H32E 109.5 . . ?
H32D C32Q H32E 109.5 . . ?
C31Q C32Q H32F 109.5 . . ?
H32D C32Q H32F 109.5 . . ?
H32E C32Q H32F 109.5 . . ?
C17Q C33Q C34Q 112.3(2) . . ?
C17Q C33Q H33C 109.1 . . ?
C34Q C33Q H33C 109.1 . . ?
C17Q C33Q H33D 109.1 . . ?
C34Q C33Q H33D 109.1 . . ?
H33C C33Q H33D 107.9 . . ?
C33Q C34Q H34D 109.5 . . ?
C33Q C34Q H34E 109.5 . . ?
H34D C34Q H34E 109.5 . . ?
C33Q C34Q H34F 109.5 . . ?
H34D C34Q H34F 109.5 . . ?
H34E C34Q H34F 109.5 . . ?
C18Q C35Q C36Q 112.0(2) . . ?
C18Q C35Q H35C 109.2 . . ?
C36Q C35Q H35C 109.2 . . ?
C18Q C35Q H35D 109.2 . . ?
C36Q C35Q H35D 109.2 . . ?
H35C C35Q H35D 107.9 . . ?
C35Q C36Q H36D 109.5 . . ?
C35Q C36Q H36E 109.5 . . ?
H36D C36Q H36E 109.5 . . ?
C35Q C36Q H36F 109.5 . . ?
H36D C36Q H36F 109.5 . . ?
H36E C36Q H36F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5A C1A C2A C3A 0.27(14) . . . . ?
C8A C1A C2A C3A -123.54(12) . . . . ?
Sc1A C1A C2A C3A -65.86(10) . . . . ?
C5A C1A C2A C57A 141.74(11) . . . . ?
C8A C1A C2A C57A 17.94(16) . . . . ?
Sc1A C1A C2A C57A 75.61(11) . . . . ?
C5A C1A C2A Sc1A 66.13(9) . . . . ?
C8A C1A C2A Sc1A -57.68(10) . . . . ?
C1A C2A C3A C4A -0.52(15) . . . . ?
C57A C2A C3A C4A -141.68(12) . . . . ?
Sc1A C2A C3A C4A -63.01(10) . . . . ?
C1A C2A C3A C40A 142.08(14) . . . . ?
C57A C2A C3A C40A 0.9(2) . . . . ?
Sc1A C2A C3A C40A 79.59(15) . . . . ?
C1A C2A C3A Sc1A 62.49(10) . . . . ?
C57A C2A C3A Sc1A -78.67(12) . . . . ?
C2A C3A C4A C5A 0.58(15) . . . . ?
C40A C3A C4A C5A -142.07(14) . . . . ?
Sc1A C3A C4A C5A -61.88(9) . . . . ?
C2A C3A C4A C43A 141.61(12) . . . . ?
C40A C3A C4A C43A -1.0(2) . . . . ?
Sc1A C3A C4A C43A 79.15(11) . . . . ?
C2A C3A C4A Sc1A 62.46(10) . . . . ?
C40A C3A C4A Sc1A -80.19(14) . . . . ?
C2A C1A C5A C6A -130.14(11) . . . . ?
C8A C1A C5A C6A 0.29(13) . . . . ?
Sc1A C1A C5A C6A -62.41(9) . . . . ?
C2A C1A C5A C4A 0.09(14) . . . . ?
C8A C1A C5A C4A 130.52(11) . . . . ?
Sc1A C1A C5A C4A 67.83(10) . . . . ?
C2A C1A C5A Sc1A -67.73(10) . . . . ?
C8A C1A C5A Sc1A 62.70(9) . . . . ?
C3A C4A C5A C1A -0.42(14) . . . . ?
C43A C4A C5A C1A -141.80(11) . . . . ?
Sc1A C4A C5A C1A -65.35(9) . . . . ?
C3A C4A C5A C6A 123.23(12) . . . . ?
C43A C4A C5A C6A -18.14(16) . . . . ?
Sc1A C4A C5A C6A 58.30(10) . . . . ?
C3A C4A C5A Sc1A 64.93(10) . . . . ?
C43A C4A C5A Sc1A -76.45(11) . . . . ?
C1A C5A C6A C56A 137.67(11) . . . . ?
C4A C5A C6A C56A 14.10(16) . . . . ?
Sc1A C5A C6A C56A 74.71(11) . . . . ?
C1A C5A C6A C7A -4.31(13) . . . . ?
C4A C5A C6A C7A -127.89(11) . . . . ?
Sc1A C5A C6A C7A -67.28(9) . . . . ?
C1A C5A C6A Sc1A 62.96(9) . . . . ?
C4A C5A C6A Sc1A -60.61(10) . . . . ?
C5A C6A C7A C8A 6.68(13) . . . . ?
C56A C6A C7A C8A -135.19(11) . . . . ?
Sc1A C6A C7A C8A -59.84(9) . . . . ?
C5A C6A C7A C12A 149.37(14) . . . . ?
C56A C6A C7A C12A 7.51(19) . . . . ?
Sc1A C6A C7A C12A 82.85(14) . . . . ?
C5A C6A C7A Sc1A 66.52(9) . . . . ?
C56A C6A C7A Sc1A -75.35(11) . . . . ?
C5A C1A C8A C7A 3.85(13) . . . . ?
C2A C1A C8A C7A 127.51(11) . . . . ?
Sc1A C1A C8A C7A 67.73(9) . . . . ?
C5A C1A C8A C9A -137.27(11) . . . . ?
C2A C1A C8A C9A -13.60(16) . . . . ?
Sc1A C1A C8A C9A -73.39(11) . . . . ?
C5A C1A C8A Sc1A -63.88(9) . . . . ?
C2A C1A C8A Sc1A 59.78(11) . . . . ?
C6A C7A C8A C1A -6.50(13) . . . . ?
C12A C7A C8A C1A -149.11(14) . . . . ?
Sc1A C7A C8A C1A -66.63(9) . . . . ?
C6A C7A C8A C9A 134.69(11) . . . . ?
C12A C7A C8A C9A -7.93(19) . . . . ?
Sc1A C7A C8A C9A 74.55(11) . . . . ?
C6A C7A C8A Sc1A 60.13(9) . . . . ?
C12A C7A C8A Sc1A -82.48(14) . . . . ?
C1A C8A C9A C10A 155.69(12) . . . . ?
C7A C8A C9A C10A 19.08(17) . . . . ?
Sc1A C8A C9A C10A 88.39(12) . . . . ?
C1A C8A C9A C58A -0.62(17) . . . . ?
C7A C8A C9A C58A -137.23(12) . . . . ?
Sc1A C8A C9A C58A -67.92(12) . . . . ?
C1A C8A C9A Sc1A 67.30(10) . . . . ?
C7A C8A C9A Sc1A -69.31(10) . . . . ?
C8A C9A C10A C70A -153.09(14) . . . . ?
C58A C9A C10A C70A 3.2(2) . . . . ?
Sc1A C9A C10A C70A -88.57(15) . . . . ?
C8A C9A C10A C11A -13.3(2) . . . . ?
C58A C9A C10A C11A 143.00(15) . . . . ?
Sc1A C9A C10A C11A 51.21(16) . . . . ?
C70A C10A C11A C16A -2.7(2) . . . . ?
C9A C10A C11A C16A -146.88(15) . . . . ?
C70A C10A C11A C12A 140.45(17) . . . . ?
C9A C10A C11A C12A -3.7(2) . . . . ?
C8A C7A C12A C11A -9.1(2) . . . . ?
C6A C7A C12A C11A -147.23(16) . . . . ?
Sc1A C7A C12A C11A -77.90(18) . . . . ?
C8A C7A C12A C13A 147.56(16) . . . . ?
C6A C7A C12A C13A 9.5(2) . . . . ?
Sc1A C7A C12A C13A 78.80(18) . . . . ?
C10A C11A C12A C7A 15.0(3) . . . . ?
C16A C11A C12A C7A 153.47(17) . . . . ?
C10A C11A C12A C13A -141.60(18) . . . . ?
C16A C11A C12A C13A -3.1(3) . . . . ?
C7A C12A C13A C55A -15.4(3) . . . . ?
C11A C12A C13A C55A 141.18(19) . . . . ?
C7A C12A C13A C14A -153.22(18) . . . . ?
C11A C12A C13A C14A 3.3(3) . . . . ?
C55A C13A C14A C52A 0.3(2) . . . . ?
C12A C13A C14A C52A 142.56(19) . . . . ?
C55A C13A C14A C15A -143.10(17) . . . . ?
C12A C13A C14A C15A -0.9(3) . . . . ?
C52A C14A C15A C16A -140.84(17) . . . . ?
C13A C14A C15A C16A -1.9(2) . . . . ?
C52A C14A C15A C20A 14.6(2) . . . . ?
C13A C14A C15A C20A 153.61(16) . . . . ?
C52A C14A C15A Sc3A -39.77(17) . . . . ?
C13A C14A C15A Sc3A 99.20(17) . . . . ?
C10A C11A C16A C17A 0.0(2) . . . . ?
C12A C11A C16A C17A -142.78(18) . . . . ?
C10A C11A C16A C15A 143.18(16) . . . . ?
C12A C11A C16A C15A 0.4(3) . . . . ?
C20A C15A C16A C11A -153.29(16) . . . . ?
C14A C15A C16A C11A 2.1(2) . . . . ?
Sc3A C15A C16A C11A -98.04(16) . . . . ?
C20A C15A C16A C17A -14.6(2) . . . . ?
C14A C15A C16A C17A 140.86(16) . . . . ?
Sc3A C15A C16A C17A 40.69(16) . . . . ?
C11A C16A C17A C70A 2.7(2) . . . . ?
C15A C16A C17A C70A -140.70(15) . . . . ?
C11A C16A C17A C18A 146.26(16) . . . . ?
C15A C16A C17A C18A 2.9(2) . . . . ?
C70A C17A C18A C19A 153.12(16) . . . . ?
C16A C17A C18A C19A 14.0(2) . . . . ?
C70A C17A C18A C67A -4.2(2) . . . . ?
C16A C17A C18A C67A -143.33(15) . . . . ?
C70A C17A C18A Sc3A 89.43(16) . . . . ?
C16A C17A C18A Sc3A -49.72(17) . . . . ?
C67A C18A C19A C23A 1.6(2) . . . . ?
C17A C18A C19A C23A -155.66(14) . . . . ?
Sc3A C18A C19A C23A -68.05(13) . . . . ?
C67A C18A C19A C20A 138.07(13) . . . . ?
C17A C18A C19A C20A -19.2(2) . . . . ?
Sc3A C18A C19A C20A 68.44(13) . . . . ?
C67A C18A C19A Sc3A 69.63(13) . . . . ?
C17A C18A C19A Sc3A -87.61(14) . . . . ?
C23A C19A C20A C21A 6.61(18) . . . . ?
C18A C19A C20A C21A -134.47(14) . . . . ?
Sc3A C19A C20A C21A -59.70(12) . . . . ?
C23A C19A C20A C15A 148.68(13) . . . . ?
C18A C19A C20A C15A 7.6(2) . . . . ?
Sc3A C19A C20A C15A 82.36(14) . . . . ?
C23A C19A C20A Sc3A 66.32(11) . . . . ?
C18A C19A C20A Sc3A -74.77(13) . . . . ?
C16A C15A C20A C19A 9.3(2) . . . . ?
C14A C15A C20A C19A -146.31(15) . . . . ?
Sc3A C15A C20A C19A -69.48(13) . . . . ?
C16A C15A C20A C21A 146.75(14) . . . . ?
C14A C15A C20A C21A -8.8(2) . . . . ?
Sc3A C15A C20A C21A 67.99(13) . . . . ?
C16A C15A C20A Sc3A 78.76(14) . . . . ?
C14A C15A C20A Sc3A -76.83(14) . . . . ?
C19A C20A C21A C22A -6.52(18) . . . . ?
C15A C20A C21A C22A -148.51(13) . . . . ?
Sc3A C20A C21A C22A -67.02(11) . . . . ?
C19A C20A C21A C53A 134.49(14) . . . . ?
C15A C20A C21A C53A -7.5(2) . . . . ?
Sc3A C20A C21A C53A 73.99(13) . . . . ?
C19A C20A C21A Sc3A 60.50(12) . . . . ?
C15A C20A C21A Sc3A -81.50(13) . . . . ?
C20A C21A C22A C23A 3.93(17) . . . . ?
C53A C21A C22A C23A -137.31(13) . . . . ?
Sc3A C21A C22A C23A -63.84(10) . . . . ?
C20A C21A C22A C26A 127.81(13) . . . . ?
C53A C21A C22A C26A -13.42(18) . . . . ?
Sc3A C21A C22A C26A 60.05(11) . . . . ?
C20A C21A C22A Sc3A 67.77(12) . . . . ?
C53A C21A C22A Sc3A -73.47(13) . . . . ?
C21A C22A C23A C24A 130.87(12) . . . . ?
C26A C22A C23A C24A -0.02(14) . . . . ?
Sc3A C22A C23A C24A 68.81(10) . . . . ?
C21A C22A C23A C19A 0.18(16) . . . . ?
C26A C22A C23A C19A -130.71(12) . . . . ?
Sc3A C22A C23A C19A -61.88(11) . . . . ?
C21A C22A C23A Sc3A 62.06(11) . . . . ?
C26A C22A C23A Sc3A -68.83(10) . . . . ?
C20A C19A C23A C22A -4.21(17) . . . . ?
C18A C19A C23A C22A 136.90(14) . . . . ?
Sc3A C19A C23A C22A 62.34(11) . . . . ?
C20A C19A C23A C24A -128.17(14) . . . . ?
C18A C19A C23A C24A 12.9(2) . . . . ?
Sc3A C19A C23A C24A -61.62(12) . . . . ?
C20A C19A C23A Sc3A -66.54(12) . . . . ?
C18A C19A C23A Sc3A 74.57(14) . . . . ?
C22A C23A C24A C25A -0.32(14) . . . . ?
C19A C23A C24A C25A 123.80(12) . . . . ?
Sc3A C23A C24A C25A 65.10(9) . . . . ?
C22A C23A C24A C66A -141.85(12) . . . . ?
C19A C23A C24A C66A -17.73(18) . . . . ?
Sc3A C23A C24A C66A -76.44(12) . . . . ?
C22A C23A C24A Sc3A -65.42(10) . . . . ?
C19A C23A C24A Sc3A 58.71(12) . . . . ?
C23A C24A C25A C26A 0.53(13) . . . . ?
C66A C24A C25A C26A 141.67(10) . . . . ?
Sc3A C24A C25A C26A 61.69(9) . . . . ?
C23A C24A C25A C30A -142.27(11) . . . . ?
C66A C24A C25A C30A -1.13(15) . . . . ?
Sc3A C24A C25A C30A -81.11(10) . . . . ?
C23A C24A C25A Sc3A -61.16(9) . . . . ?
C66A C24A C25A Sc3A 79.99(10) . . . . ?
C24A C25A C26A C27A -141.07(11) . . . . ?
C30A C25A C26A C27A 1.75(15) . . . . ?
Sc3A C25A C26A C27A -78.60(11) . . . . ?
C24A C25A C26A C22A -0.54(13) . . . . ?
C30A C25A C26A C22A 142.28(11) . . . . ?
Sc3A C25A C26A C22A 61.94(9) . . . . ?
C24A C25A C26A Sc3A -62.47(9) . . . . ?
C30A C25A C26A Sc3A 80.34(10) . . . . ?
C23A C22A C26A C25A 0.34(14) . . . . ?
C21A C22A C26A C25A -123.66(12) . . . . ?
Sc3A C22A C26A C25A -66.46(10) . . . . ?
C23A C22A C26A C27A 141.25(12) . . . . ?
C21A C22A C26A C27A 17.24(17) . . . . ?
Sc3A C22A C26A C27A 74.44(12) . . . . ?
C23A C22A C26A Sc3A 66.80(10) . . . . ?
C21A C22A C26A Sc3A -57.20(11) . . . . ?
C25A C26A C27A C54A 128.92(14) . . . . ?
C22A C26A C27A C54A -7.6(2) . . . . ?
Sc3A C26A C27A C54A 56.66(14) . . . . ?
C25A C26A C27A C28A -11.14(18) . . . . ?
C22A C26A C27A C28A -147.69(13) . . . . ?
Sc3A C26A C27A C28A -83.41(13) . . . . ?
C25A C26A C27A Sc3A 72.26(10) . . . . ?
C22A C26A C27A Sc3A -64.29(11) . . . . ?
C54A C27A C28A C48A 7.04(17) . . . . ?
C26A C27A C28A C48A 151.43(13) . . . . ?
Sc3A C27A C28A C48A 89.26(12) . . . . ?
C54A C27A C28A C29A -135.85(14) . . . . ?
C26A C27A C28A C29A 8.54(19) . . . . ?
Sc3A C27A C28A C29A -53.63(13) . . . . ?
C48A C28A C29A C30A -134.89(13) . . . . ?
C27A C28A C29A C30A 3.38(18) . . . . ?
C48A C28A C29A C34A 21.69(19) . . . . ?
C27A C28A C29A C34A 159.96(13) . . . . ?
C48A C28A C29A Sc2A -42.70(15) . . . . ?
C27A C28A C29A Sc2A 95.57(12) . . . . ?
C24A C25A C30A C29A 148.01(11) . . . . ?
C26A C25A C30A C29A 9.96(16) . . . . ?
Sc3A C25A C30A C29A 78.28(11) . . . . ?
C24A C25A C30A C31A -10.10(16) . . . . ?
C26A C25A C30A C31A -148.15(11) . . . . ?
Sc3A C25A C30A C31A -79.83(11) . . . . ?
C28A C29A C30A C25A -12.47(17) . . . . ?
C34A C29A C30A C25A -168.40(12) . . . . ?
Sc2A C29A C30A C25A -117.51(11) . . . . ?
C28A C29A C30A C31A 145.51(13) . . . . ?
C34A C29A C30A C31A -10.42(19) . . . . ?
Sc2A C29A C30A C31A 40.47(12) . . . . ?
C25A C30A C31A C65A 12.40(17) . . . . ?
C29A C30A C31A C65A -145.59(13) . . . . ?
C25A C30A C31A C32A 168.25(12) . . . . ?
C29A C30A C31A C32A 10.26(19) . . . . ?
C25A C30A C31A Sc2A 117.49(10) . . . . ?
C29A C30A C31A Sc2A -40.50(12) . . . . ?
C65A C31A C32A C62A 21.90(18) . . . . ?
C30A C31A C32A C62A -134.42(13) . . . . ?
Sc2A C31A C32A C62A -71.89(12) . . . . ?
C65A C31A C32A C33A 158.09(13) . . . . ?
C30A C31A C32A C33A 1.8(2) . . . . ?
Sc2A C31A C32A C33A 64.30(12) . . . . ?
C65A C31A C32A Sc2A 93.79(12) . . . . ?
C30A C31A C32A Sc2A -62.53(12) . . . . ?
C62A C32A C33A C37A 2.55(16) . . . . ?
C31A C32A C33A C37A -138.20(13) . . . . ?
Sc2A C32A C33A C37A -64.49(11) . . . . ?
C62A C32A C33A C34A 126.97(13) . . . . ?
C31A C32A C33A C34A -13.79(19) . . . . ?
Sc2A C32A C33A C34A 59.93(11) . . . . ?
C62A C32A C33A Sc2A 67.04(11) . . . . ?
C31A C32A C33A Sc2A -73.72(13) . . . . ?
C37A C33A C34A C35A -2.27(16) . . . . ?
C32A C33A C34A C35A -126.68(13) . . . . ?
Sc2A C33A C34A C35A -66.82(11) . . . . ?
C37A C33A C34A C29A 138.02(13) . . . . ?
C32A C33A C34A C29A 13.61(19) . . . . ?
Sc2A C33A C34A C29A 73.47(13) . . . . ?
C37A C33A C34A Sc2A 64.55(10) . . . . ?
C32A C33A C34A Sc2A -59.86(11) . . . . ?
C28A C29A C34A C35A -22.05(18) . . . . ?
C30A C29A C34A C35A 134.35(13) . . . . ?
Sc2A C29A C34A C35A 71.67(12) . . . . ?
C28A C29A C34A C33A -157.83(13) . . . . ?
C30A C29A C34A C33A -1.4(2) . . . . ?
Sc2A C29A C34A C33A -64.11(11) . . . . ?
C28A C29A C34A Sc2A -93.72(12) . . . . ?
C30A C29A C34A Sc2A 62.69(12) . . . . ?
C33A C34A C35A C36A 3.78(16) . . . . ?
C29A C34A C35A C36A -136.73(12) . . . . ?
Sc2A C34A C35A C36A -58.89(10) . . . . ?
C33A C34A C35A C47A 147.24(13) . . . . ?
C29A C34A C35A C47A 6.73(19) . . . . ?
Sc2A C34A C35A C47A 84.57(13) . . . . ?
C33A C34A C35A Sc2A 62.67(10) . . . . ?
C29A C34A C35A Sc2A -77.84(12) . . . . ?
C34A C35A C36A C37A -3.83(16) . . . . ?
C47A C35A C36A C37A -147.27(14) . . . . ?
Sc2A C35A C36A C37A -62.18(10) . . . . ?
C34A C35A C36A C41A 136.61(12) . . . . ?
C47A C35A C36A C41A -6.82(19) . . . . ?
Sc2A C35A C36A C41A 78.26(11) . . . . ?
C34A C35A C36A Sc2A 58.35(11) . . . . ?
C47A C35A C36A Sc2A -85.08(13) . . . . ?
C34A C33A C37A C38A -131.13(13) . . . . ?
C32A C33A C37A C38A 0.07(16) . . . . ?
Sc2A C33A C37A C38A -65.45(10) . . . . ?
C34A C33A C37A C36A -0.08(16) . . . . ?
C32A C33A C37A C36A 131.12(13) . . . . ?
Sc2A C33A C37A C36A 65.60(10) . . . . ?
C34A C33A C37A Sc2A -65.68(10) . . . . ?
C32A C33A C37A Sc2A 65.52(10) . . . . ?
C35A C36A C37A C33A 2.41(16) . . . . ?
C41A C36A C37A C33A -137.80(13) . . . . ?
Sc2A C36A C37A C33A -63.51(10) . . . . ?
C35A C36A C37A C38A 126.61(13) . . . . ?
C41A C36A C37A C38A -13.60(18) . . . . ?
Sc2A C36A C37A C38A 60.69(11) . . . . ?
C35A C36A C37A Sc2A 65.92(10) . . . . ?
C41A C36A C37A Sc2A -74.29(12) . . . . ?
C33A C37A C38A C62A -2.66(16) . . . . ?
C36A C37A C38A C62A -126.86(13) . . . . ?
Sc2A C37A C38A C62A -66.11(10) . . . . ?
C33A C37A C38A C39A 137.81(13) . . . . ?
C36A C37A C38A C39A 13.61(18) . . . . ?
Sc2A C37A C38A C39A 74.36(12) . . . . ?
C33A C37A C38A Sc2A 63.45(10) . . . . ?
C36A C37A C38A Sc2A -60.75(11) . . . . ?
C62A C38A C39A C61A -21.96(18) . . . . ?
C37A C38A C39A C61A -157.97(14) . . . . ?
Sc2A C38A C39A C61A -93.41(13) . . . . ?
C62A C38A C39A C40A 133.89(14) . . . . ?
C37A C38A C39A C40A -2.1(2) . . . . ?
Sc2A C38A C39A C40A 62.44(14) . . . . ?
C62A C38A C39A Sc2A 71.45(11) . . . . ?
C37A C38A C39A Sc2A -64.56(11) . . . . ?
C4A C3A C40A C41A -11.0(2) . . . . ?
C2A C3A C40A C41A -148.81(15) . . . . ?
Sc1A C3A C40A C41A -80.40(16) . . . . ?
C4A C3A C40A C39A 148.79(15) . . . . ?
C2A C3A C40A C39A 10.9(2) . . . . ?
Sc1A C3A C40A C39A 79.36(16) . . . . ?
C61A C39A C40A C3A -13.4(2) . . . . ?
C38A C39A C40A C3A -168.87(14) . . . . ?
Sc2A C39A C40A C3A -118.37(16) . . . . ?
C61A C39A C40A C41A 146.16(15) . . . . ?
C38A C39A C40A C41A -9.3(2) . . . . ?
Sc2A C39A C40A C41A 41.23(15) . . . . ?
C3A C40A C41A C42A 13.4(2) . . . . ?
C39A C40A C41A C42A -146.18(15) . . . . ?
C3A C40A C41A C36A 168.84(14) . . . . ?
C39A C40A C41A C36A 9.3(2) . . . . ?
C3A C40A C41A Sc2A 118.40(16) . . . . ?
C39A C40A C41A Sc2A -41.18(15) . . . . ?
C35A C36A C41A C42A 22.27(18) . . . . ?
C37A C36A C41A C42A 158.00(14) . . . . ?
Sc2A C36A C41A C42A 93.56(13) . . . . ?
C35A C36A C41A C40A -133.62(14) . . . . ?
C37A C36A C41A C40A 2.1(2) . . . . ?
Sc2A C36A C41A C40A -62.34(14) . . . . ?
C35A C36A C41A Sc2A -71.29(11) . . . . ?
C37A C36A C41A Sc2A 64.44(11) . . . . ?
C40A C41A C42A C43A -4.0(2) . . . . ?
C36A C41A C42A C43A -160.05(13) . . . . ?
Sc2A C41A C42A C43A -96.03(14) . . . . ?
C40A C41A C42A C46A 134.47(17) . . . . ?
C36A C41A C42A C46A -21.6(2) . . . . ?
Sc2A C41A C42A C46A 42.40(17) . . . . ?
C46A C42A C43A C44A -7.25(18) . . . . ?
C41A C42A C43A C44A 135.80(15) . . . . ?
C46A C42A C43A C4A -151.25(14) . . . . ?
C41A C42A C43A C4A -8.2(2) . . . . ?
C46A C42A C43A Sc1A -90.50(13) . . . . ?
C41A C42A C43A Sc1A 52.55(15) . . . . ?
C3A C4A C43A C44A -128.93(14) . . . . ?
C5A C4A C43A C44A 8.11(17) . . . . ?
Sc1A C4A C43A C44A -57.73(12) . . . . ?
C3A C4A C43A C42A 10.76(19) . . . . ?
C5A C4A C43A C42A 147.80(13) . . . . ?
Sc1A C4A C43A C42A 81.96(13) . . . . ?
C3A C4A C43A Sc1A -71.20(12) . . . . ?
C5A C4A C43A Sc1A 65.84(11) . . . . ?
C42A C43A C44A C45A 5.98(18) . . . . ?
C4A C43A C44A C45A 149.91(13) . . . . ?
Sc1A C43A C44A C45A 101.61(13) . . . . ?
C42A C43A C44A C56A -137.93(13) . . . . ?
C4A C43A C44A C56A 6.00(19) . . . . ?
Sc1A C43A C44A C56A -42.30(12) . . . . ?
C43A C44A C45A C46A -2.40(19) . . . . ?
C56A C44A C45A C46A 141.00(15) . . . . ?
C43A C44A C45A C50A -145.62(16) . . . . ?
C56A C44A C45A C50A -2.2(2) . . . . ?
C43A C42A C46A C45A 5.7(2) . . . . ?
C41A C42A C46A C45A -137.36(16) . . . . ?
C43A C42A C46A C47A 148.38(16) . . . . ?
C41A C42A C46A C47A 5.3(2) . . . . ?
C44A C45A C46A C42A -2.1(2) . . . . ?
C50A C45A C46A C42A 141.16(18) . . . . ?
C44A C45A C46A C47A -144.60(16) . . . . ?
C50A C45A C46A C47A -1.4(3) . . . . ?
C36A C35A C47A C46A -9.9(2) . . . . ?
C34A C35A C47A C46A -149.11(15) . . . . ?
Sc2A C35A C47A C46A -79.99(16) . . . . ?
C36A C35A C47A C48A 148.82(14) . . . . ?
C34A C35A C47A C48A 9.6(2) . . . . ?
Sc2A C35A C47A C48A 78.68(15) . . . . ?
C42A C46A C47A C35A 10.7(2) . . . . ?
C45A C46A C47A C35A 148.82(17) . . . . ?
C42A C46A C47A C48A -148.02(17) . . . . ?
C45A C46A C47A C48A -9.9(3) . . . . ?
C27A C28A C48A C49A -5.60(18) . . . . ?
C29A C28A C48A C49A 137.41(15) . . . . ?
C27A C28A C48A C47A -148.75(15) . . . . ?
C29A C28A C48A C47A -5.7(2) . . . . ?
C35A C47A C48A C28A -10.2(2) . . . . ?
C46A C47A C48A C28A 148.62(16) . . . . ?
C35A C47A C48A C49A -148.79(16) . . . . ?
C46A C47A C48A C49A 10.0(2) . . . . ?
C28A C48A C49A C54A 2.07(19) . . . . ?
C47A C48A C49A C54A 145.16(16) . . . . ?
C28A C48A C49A C50A -141.79(17) . . . . ?
C47A C48A C49A C50A 1.3(3) . . . . ?
C44A C45A C50A C49A 151.38(17) . . . . ?
C46A C45A C50A C49A 12.6(3) . . . . ?
C44A C45A C50A C51A -5.3(3) . . . . ?
C46A C45A C50A C51A -144.08(18) . . . . ?
C54A C49A C50A C45A -152.03(18) . . . . ?
C48A C49A C50A C45A -12.6(3) . . . . ?
C54A C49A C50A C51A 4.7(3) . . . . ?
C48A C49A C50A C51A 144.11(18) . . . . ?
C45A C50A C51A C52A 148.60(18) . . . . ?
C49A C50A C51A C52A -8.1(3) . . . . ?
C45A C50A C51A C55A 8.6(3) . . . . ?
C49A C50A C51A C55A -148.11(18) . . . . ?
C55A C51A C52A C14A 4.3(2) . . . . ?
C50A C51A C52A C14A -140.13(18) . . . . ?
C55A C51A C52A C53A 149.10(16) . . . . ?
C50A C51A C52A C53A 4.7(3) . . . . ?
C13A C14A C52A C51A -2.8(2) . . . . ?
C15A C14A C52A C51A 140.79(16) . . . . ?
C13A C14A C52A C53A -147.65(16) . . . . ?
C15A C14A C52A C53A -4.0(3) . . . . ?
C22A C21A C53A C54A 0.1(2) . . . . ?
C20A C21A C53A C54A -136.54(15) . . . . ?
Sc3A C21A C53A C54A -67.64(14) . . . . ?
C22A C21A C53A C52A 154.67(14) . . . . ?
C20A C21A C53A C52A 18.0(2) . . . . ?
Sc3A C21A C53A C52A 86.94(14) . . . . ?
C22A C21A C53A Sc3A 67.73(12) . . . . ?
C20A C21A C53A Sc3A -68.90(12) . . . . ?
C51A C52A C53A C21A -152.80(16) . . . . ?
C14A C52A C53A C21A -12.3(2) . . . . ?
C51A C52A C53A C54A 2.0(2) . . . . ?
C14A C52A C53A C54A 142.44(17) . . . . ?
C51A C52A C53A Sc3A -88.99(17) . . . . ?
C14A C52A C53A Sc3A 51.47(18) . . . . ?
C28A C27A C54A C49A -5.78(19) . . . . ?
C26A C27A C54A C49A -150.07(14) . . . . ?
Sc3A C27A C54A C49A -101.78(14) . . . . ?
C28A C27A C54A C53A 138.60(15) . . . . ?
C26A C27A C54A C53A -5.7(2) . . . . ?
Sc3A C27A C54A C53A 42.60(14) . . . . ?
C48A C49A C54A C27A 2.3(2) . . . . ?
C50A C49A C54A C27A 146.06(17) . . . . ?
C48A C49A C54A C53A -141.76(16) . . . . ?
C50A C49A C54A C53A 2.0(3) . . . . ?
C21A C53A C54A C27A 9.5(2) . . . . ?
C52A C53A C54A C27A -145.06(15) . . . . ?
Sc3A C53A C54A C27A -45.59(15) . . . . ?
C21A C53A C54A C49A 149.15(16) . . . . ?
C52A C53A C54A C49A -5.4(2) . . . . ?
Sc3A C53A C54A C49A 94.08(17) . . . . ?
C52A C51A C55A C13A -4.1(2) . . . . ?
C50A C51A C55A C13A 140.37(17) . . . . ?
C52A C51A C55A C56A -148.67(16) . . . . ?
C50A C51A C55A C56A -4.2(3) . . . . ?
C14A C13A C55A C51A 2.3(2) . . . . ?
C12A C13A C55A C51A -140.26(18) . . . . ?
C14A C13A C55A C56A 146.93(15) . . . . ?
C12A C13A C55A C56A 4.4(3) . . . . ?
C5A C6A C56A C44A 0.00(17) . . . . ?
C7A C6A C56A C44A 137.42(13) . . . . ?
Sc1A C6A C56A C44A 68.07(12) . . . . ?
C5A C6A C56A C55A -155.85(12) . . . . ?
C7A C6A C56A C55A -18.43(17) . . . . ?
Sc1A C6A C56A C55A -87.77(12) . . . . ?
C5A C6A C56A Sc1A -68.08(10) . . . . ?
C7A C6A C56A Sc1A 69.35(10) . . . . ?
C43A C44A C56A C6A -10.06(19) . . . . ?
C45A C44A C56A C6A -149.19(14) . . . . ?
C43A C44A C56A C55A 145.69(13) . . . . ?
C45A C44A C56A C55A 6.6(2) . . . . ?
C43A C44A C56A Sc1A 44.93(13) . . . . ?
C45A C44A C56A Sc1A -94.20(14) . . . . ?
C51A C55A C56A C6A 152.77(14) . . . . ?
C13A C55A C56A C6A 12.5(2) . . . . ?
C51A C55A C56A C44A -3.3(2) . . . . ?
C13A C55A C56A C44A -143.56(16) . . . . ?
C51A C55A C56A Sc1A 88.96(16) . . . . ?
C13A C55A C56A Sc1A -51.32(17) . . . . ?
C3A C2A C57A C58A 129.19(14) . . . . ?
C1A C2A C57A C58A -7.97(17) . . . . ?
Sc1A C2A C57A C58A 57.64(12) . . . . ?
C3A C2A C57A C61A -10.43(19) . . . . ?
C1A C2A C57A C61A -147.58(13) . . . . ?
Sc1A C2A C57A C61A -81.97(13) . . . . ?
C3A C2A C57A Sc1A 71.55(12) . . . . ?
C1A C2A C57A Sc1A -65.61(11) . . . . ?
C61A C57A C58A C59A -5.55(17) . . . . ?
C2A C57A C58A C59A -149.37(13) . . . . ?
Sc1A C57A C58A C59A -100.88(13) . . . . ?
C61A C57A C58A C9A 137.51(13) . . . . ?
C2A C57A C58A C9A -6.32(19) . . . . ?
Sc1A C57A C58A C9A 42.18(12) . . . . ?
C8A C9A C58A C57A 10.59(18) . . . . ?
C10A C9A C58A C57A -145.53(13) . . . . ?
Sc1A C9A C58A C57A -44.73(12) . . . . ?
C8A C9A C58A C59A 148.96(13) . . . . ?
C10A C9A C58A C59A -7.2(2) . . . . ?
Sc1A C9A C58A C59A 93.63(14) . . . . ?
C57A C58A C59A C60A 1.83(19) . . . . ?
C9A C58A C59A C60A -141.01(15) . . . . ?
C57A C58A C59A C69A 145.73(15) . . . . ?
C9A C58A C59A C69A 2.9(2) . . . . ?
C58A C59A C60A C61A 2.6(2) . . . . ?
C69A C59A C60A C61A -141.38(17) . . . . ?
C58A C59A C60A C63A 145.54(16) . . . . ?
C69A C59A C60A C63A 1.6(3) . . . . ?
C59A C60A C61A C57A -6.0(2) . . . . ?
C63A C60A C61A C57A -149.02(16) . . . . ?
C59A C60A C61A C39A 137.44(16) . . . . ?
C63A C60A C61A C39A -5.6(3) . . . . ?
C58A C57A C61A C60A 7.14(18) . . . . ?
C2A C57A C61A C60A 151.09(14) . . . . ?
Sc1A C57A C61A C60A 90.06(14) . . . . ?
C58A C57A C61A C39A -136.17(15) . . . . ?
C2A C57A C61A C39A 7.8(2) . . . . ?
Sc1A C57A C61A C39A -53.25(15) . . . . ?
C40A C39A C61A C60A -134.46(17) . . . . ?
C38A C39A C61A C60A 21.6(2) . . . . ?
Sc2A C39A C61A C60A -42.39(17) . . . . ?
C40A C39A C61A C57A 4.2(2) . . . . ?
C38A C39A C61A C57A 160.27(14) . . . . ?
Sc2A C39A C61A C57A 96.30(14) . . . . ?
C37A C38A C62A C32A 4.26(16) . . . . ?
C39A C38A C62A C32A -136.46(12) . . . . ?
Sc2A C38A C62A C32A -58.09(11) . . . . ?
C37A C38A C62A C63A 147.31(14) . . . . ?
C39A C38A C62A C63A 6.59(19) . . . . ?
Sc2A C38A C62A C63A 84.96(13) . . . . ?
C37A C38A C62A Sc2A 62.36(10) . . . . ?
C39A C38A C62A Sc2A -78.37(11) . . . . ?
C33A C32A C62A C38A -4.22(16) . . . . ?
C31A C32A C62A C38A 136.69(12) . . . . ?
Sc2A C32A C62A C38A 58.63(10) . . . . ?
C33A C32A C62A C63A -147.31(13) . . . . ?
C31A C32A C62A C63A -6.40(19) . . . . ?
Sc2A C32A C62A C63A -84.46(13) . . . . ?
C33A C32A C62A Sc2A -62.84(10) . . . . ?
C31A C32A C62A Sc2A 78.06(12) . . . . ?
C38A C62A C63A C64A -148.72(14) . . . . ?
C32A C62A C63A C64A -9.9(2) . . . . ?
Sc2A C62A C63A C64A -78.79(15) . . . . ?
C38A C62A C63A C60A 9.7(2) . . . . ?
C32A C62A C63A C60A 148.54(15) . . . . ?
Sc2A C62A C63A C60A 79.61(16) . . . . ?
C61A C60A C63A C62A -10.3(3) . . . . ?
C59A C60A C63A C62A -148.84(16) . . . . ?
C61A C60A C63A C64A 148.20(17) . . . . ?
C59A C60A C63A C64A 9.7(3) . . . . ?
C62A C63A C64A C65A 10.2(2) . . . . ?
C60A C63A C64A C65A -148.30(16) . . . . ?
C62A C63A C64A C68A 149.14(16) . . . . ?
C60A C63A C64A C68A -9.3(2) . . . . ?
C68A C64A C65A C66A 5.50(17) . . . . ?
C63A C64A C65A C66A 148.95(14) . . . . ?
C68A C64A C65A C31A -137.56(14) . . . . ?
C63A C64A C65A C31A 5.9(2) . . . . ?
C32A C31A C65A C66A -160.06(12) . . . . ?
C30A C31A C65A C66A -3.58(18) . . . . ?
Sc2A C31A C65A C66A -95.71(11) . . . . ?
C32A C31A C65A C64A -21.8(2) . . . . ?
C30A C31A C65A C64A 134.72(13) . . . . ?
Sc2A C31A C65A C64A 42.60(15) . . . . ?
C64A C65A C66A C67A -6.91(15) . . . . ?
C31A C65A C66A C67A 135.95(12) . . . . ?
C64A C65A C66A C24A -150.67(12) . . . . ?
C31A C65A C66A C24A -7.81(18) . . . . ?
C64A C65A C66A Sc3A -89.99(12) . . . . ?
C31A C65A C66A Sc3A 52.87(13) . . . . ?
C25A C24A C66A C67A -129.21(12) . . . . ?
C23A C24A C66A C67A 7.97(18) . . . . ?
Sc3A C24A C66A C67A -57.13(12) . . . . ?
C25A C24A C66A C65A 10.23(16) . . . . ?
C23A C24A C66A C65A 147.41(12) . . . . ?
Sc3A C24A C66A C65A 82.30(11) . . . . ?
C25A C24A C66A Sc3A -72.08(10) . . . . ?
C23A C24A C66A Sc3A 65.11(11) . . . . ?
C65A C66A C67A C68A 5.66(15) . . . . ?
C24A C66A C67A C68A 149.31(13) . . . . ?
Sc3A C66A C67A C68A 101.54(11) . . . . ?
C65A C66A C67A C18A -137.09(13) . . . . ?
C24A C66A C67A C18A 6.56(18) . . . . ?
Sc3A C66A C67A C18A -41.21(12) . . . . ?
C19A C18A C67A C66A -11.34(19) . . . . ?
C17A C18A C67A C66A 145.77(14) . . . . ?
Sc3A C18A C67A C66A 44.37(12) . . . . ?
C19A C18A C67A C68A -149.36(14) . . . . ?
C17A C18A C67A C68A 7.7(2) . . . . ?
Sc3A C18A C67A C68A -93.66(13) . . . . ?
C65A C64A C68A C67A -2.03(18) . . . . ?
C63A C64A C68A C67A -145.34(15) . . . . ?
C65A C64A C68A C69A 141.07(16) . . . . ?
C63A C64A C68A C69A -2.2(2) . . . . ?
C66A C67A C68A C64A -2.23(17) . . . . ?
C18A C67A C68A C64A 140.28(14) . . . . ?
C66A C67A C68A C69A -145.21(15) . . . . ?
C18A C67A C68A C69A -2.7(2) . . . . ?
C58A C59A C69A C68A -152.67(17) . . . . ?
C60A C59A C69A C68A -13.1(3) . . . . ?
C58A C59A C69A C70A 5.2(3) . . . . ?
C60A C59A C69A C70A 144.79(17) . . . . ?
C64A C68A C69A C59A 13.4(3) . . . . ?
C67A C68A C69A C59A 152.03(16) . . . . ?
C64A C68A C69A C70A -144.44(17) . . . . ?
C67A C68A C69A C70A -5.9(3) . . . . ?
C11A C10A C70A C17A 4.4(2) . . . . ?
C9A C10A C70A C17A 148.56(15) . . . . ?
C11A C10A C70A C69A -139.27(17) . . . . ?
C9A C10A C70A C69A 4.9(2) . . . . ?
C16A C17A C70A C10A -4.3(2) . . . . ?
C18A C17A C70A C10A -147.95(16) . . . . ?
C16A C17A C70A C69A 139.24(17) . . . . ?
C18A C17A C70A C69A -4.4(2) . . . . ?
C59A C69A C70A C10A -9.2(2) . . . . ?
C68A C69A C70A C10A 148.63(17) . . . . ?
C59A C69A C70A C17A -148.39(17) . . . . ?
C68A C69A C70A C17A 9.4(3) . . . . ?
C5B C1B C2B C3B 0.27(14) . . . . ?
C8B C1B C2B C3B -123.54(12) . . . . ?
Sc1B C1B C2B C3B -65.4(3) . . . . ?
C5B C1B C2B C57B 141.74(11) . . . . ?
C8B C1B C2B C57B 17.94(16) . . . . ?
Sc1B C1B C2B C57B 76.0(3) . . . . ?
C5B C1B C2B Sc1B 65.7(3) . . . . ?
C8B C1B C2B Sc1B -58.1(3) . . . . ?
C1B C2B C3B C4B -0.52(15) . . . . ?
C57B C2B C3B C4B -141.68(12) . . . . ?
Sc1B C2B C3B C4B -63.2(2) . . . . ?
C1B C2B C3B C40B 142.08(14) . . . . ?
C57B C2B C3B C40B 0.9(2) . . . . ?
Sc1B C2B C3B C40B 79.4(3) . . . . ?
C1B C2B C3B Sc1B 62.6(2) . . . . ?
C57B C2B C3B Sc1B -78.5(2) . . . . ?
C2B C3B C4B C5B 0.58(15) . . . . ?
C40B C3B C4B C5B -142.07(14) . . . . ?
Sc1B C3B C4B C5B -62.4(3) . . . . ?
C2B C3B C4B C43B 141.61(12) . . . . ?
C40B C3B C4B C43B -1.0(2) . . . . ?
Sc1B C3B C4B C43B 78.6(3) . . . . ?
C2B C3B C4B Sc1B 63.0(3) . . . . ?
C40B C3B C4B Sc1B -79.6(3) . . . . ?
C2B C1B C5B C6B -130.14(11) . . . . ?
C8B C1B C5B C6B 0.29(13) . . . . ?
Sc1B C1B C5B C6B -62.8(2) . . . . ?
C2B C1B C5B C4B 0.09(14) . . . . ?
C8B C1B C5B C4B 130.52(11) . . . . ?
Sc1B C1B C5B C4B 67.4(2) . . . . ?
C2B C1B C5B Sc1B -67.3(2) . . . . ?
C8B C1B C5B Sc1B 63.1(2) . . . . ?
C3B C4B C5B C1B -0.42(14) . . . . ?
C43B C4B C5B C1B -141.80(11) . . . . ?
Sc1B C4B C5B C1B -65.6(3) . . . . ?
C3B C4B C5B C6B 123.23(12) . . . . ?
C43B C4B C5B C6B -18.14(16) . . . . ?
Sc1B C4B C5B C6B 58.1(3) . . . . ?
C3B C4B C5B Sc1B 65.2(3) . . . . ?
C43B C4B C5B Sc1B -76.2(3) . . . . ?
C1B C5B C6B C56B 137.67(11) . . . . ?
C4B C5B C6B C56B 14.10(16) . . . . ?
Sc1B C5B C6B C56B 74.1(3) . . . . ?
C1B C5B C6B C7B -4.31(13) . . . . ?
C4B C5B C6B C7B -127.89(11) . . . . ?
Sc1B C5B C6B C7B -67.8(3) . . . . ?
C1B C5B C6B Sc1B 63.5(3) . . . . ?
C4B C5B C6B Sc1B -60.0(3) . . . . ?
C5B C6B C7B C8B 6.68(13) . . . . ?
C56B C6B C7B C8B -135.19(11) . . . . ?
Sc1B C6B C7B C8B -60.0(3) . . . . ?
C5B C6B C7B C12B 149.37(14) . . . . ?
C56B C6B C7B C12B 7.50(19) . . . . ?
Sc1B C6B C7B C12B 82.7(3) . . . . ?
C5B C6B C7B Sc1B 66.7(3) . . . . ?
C56B C6B C7B Sc1B -75.2(3) . . . . ?
C5B C1B C8B C7B 3.85(13) . . . . ?
C2B C1B C8B C7B 127.51(11) . . . . ?
Sc1B C1B C8B C7B 67.6(3) . . . . ?
C5B C1B C8B C9B -137.27(11) . . . . ?
C2B C1B C8B C9B -13.60(16) . . . . ?
Sc1B C1B C8B C9B -73.5(3) . . . . ?
C5B C1B C8B Sc1B -63.8(3) . . . . ?
C2B C1B C8B Sc1B 59.9(3) . . . . ?
C6B C7B C8B C1B -6.50(13) . . . . ?
C12B C7B C8B C1B -149.11(14) . . . . ?
Sc1B C7B C8B C1B -66.4(2) . . . . ?
C6B C7B C8B C9B 134.68(11) . . . . ?
C12B C7B C8B C9B -7.93(18) . . . . ?
Sc1B C7B C8B C9B 74.8(2) . . . . ?
C6B C7B C8B Sc1B 59.9(2) . . . . ?
C12B C7B C8B Sc1B -82.7(2) . . . . ?
C1B C8B C9B C10B 155.69(12) . . . . ?
C7B C8B C9B C10B 19.08(17) . . . . ?
Sc1B C8B C9B C10B 88.5(3) . . . . ?
C1B C8B C9B C58B -0.62(17) . . . . ?
C7B C8B C9B C58B -137.23(12) . . . . ?
Sc1B C8B C9B C58B -67.8(3) . . . . ?
C1B C8B C9B Sc1B 67.2(3) . . . . ?
C7B C8B C9B Sc1B -69.4(3) . . . . ?
C8B C9B C10B C70B -153.09(14) . . . . ?
C58B C9B C10B C70B 3.2(2) . . . . ?
Sc1B C9B C10B C70B -88.4(3) . . . . ?
C8B C9B C10B C11B -13.3(2) . . . . ?
C58B C9B C10B C11B 143.00(15) . . . . ?
Sc1B C9B C10B C11B 51.4(3) . . . . ?
C70B C10B C11B C16B -2.7(2) . . . . ?
C9B C10B C11B C16B -146.88(15) . . . . ?
C70B C10B C11B C12B 140.45(17) . . . . ?
C9B C10B C11B C12B -3.7(2) . . . . ?
C8B C7B C12B C11B -9.1(2) . . . . ?
C6B C7B C12B C11B -147.23(16) . . . . ?
Sc1B C7B C12B C11B -78.3(4) . . . . ?
C8B C7B C12B C13B 147.56(16) . . . . ?
C6B C7B C12B C13B 9.5(2) . . . . ?
Sc1B C7B C12B C13B 78.4(4) . . . . ?
C10B C11B C12B C7B 15.0(3) . . . . ?
C16B C11B C12B C7B 153.47(17) . . . . ?
C10B C11B C12B C13B -141.60(18) . . . . ?
C16B C11B C12B C13B -3.1(3) . . . . ?
C7B C12B C13B C55B -15.4(3) . . . . ?
C11B C12B C13B C55B 141.18(19) . . . . ?
C7B C12B C13B C14B -153.22(18) . . . . ?
C11B C12B C13B C14B 3.3(3) . . . . ?
C55B C13B C14B C52B 0.3(2) . . . . ?
C12B C13B C14B C52B 142.56(19) . . . . ?
C55B C13B C14B C15B -143.10(17) . . . . ?
C12B C13B C14B C15B -0.9(3) . . . . ?
C52B C14B C15B C16B -140.84(17) . . . . ?
C13B C14B C15B C16B -1.9(2) . . . . ?
C52B C14B C15B C20B 14.7(2) . . . . ?
C13B C14B C15B C20B 153.62(16) . . . . ?
C52B C14B C15B Sc3B -43.2(3) . . . . ?
C13B C14B C15B Sc3B 95.8(3) . . . . ?
C10B C11B C16B C17B 0.0(2) . . . . ?
C12B C11B C16B C17B -142.78(18) . . . . ?
C10B C11B C16B C15B 143.18(16) . . . . ?
C12B C11B C16B C15B 0.4(3) . . . . ?
C20B C15B C16B C11B -153.29(16) . . . . ?
C14B C15B C16B C11B 2.1(2) . . . . ?
Sc3B C15B C16B C11B -100.7(2) . . . . ?
C20B C15B C16B C17B -14.6(2) . . . . ?
C14B C15B C16B C17B 140.86(16) . . . . ?
Sc3B C15B C16B C17B 38.0(2) . . . . ?
C11B C16B C17B C70B 2.7(2) . . . . ?
C15B C16B C17B C70B -140.70(16) . . . . ?
C11B C16B C17B C18B 146.26(16) . . . . ?
C15B C16B C17B C18B 2.9(2) . . . . ?
C70B C17B C18B C19B 153.12(16) . . . . ?
C16B C17B C18B C19B 14.0(2) . . . . ?
C70B C17B C18B C67B -4.2(2) . . . . ?
C16B C17B C18B C67B -143.33(15) . . . . ?
C70B C17B C18B Sc3B 86.1(3) . . . . ?
C16B C17B C18B Sc3B -53.0(3) . . . . ?
C67B C18B C19B C23B 1.6(2) . . . . ?
C17B C18B C19B C23B -155.66(14) . . . . ?
Sc3B C18B C19B C23B -66.6(2) . . . . ?
C67B C18B C19B C20B 138.07(14) . . . . ?
C17B C18B C19B C20B -19.2(2) . . . . ?
Sc3B C18B C19B C20B 69.9(2) . . . . ?
C67B C18B C19B Sc3B 68.2(2) . . . . ?
C17B C18B C19B Sc3B -89.1(2) . . . . ?
C23B C19B C20B C21B 6.61(18) . . . . ?
C18B C19B C20B C21B -134.47(14) . . . . ?
Sc3B C19B C20B C21B -64.5(3) . . . . ?
C23B C19B C20B C15B 148.68(13) . . . . ?
C18B C19B C20B C15B 7.6(2) . . . . ?
Sc3B C19B C20B C15B 77.6(3) . . . . ?
C23B C19B C20B Sc3B 71.1(3) . . . . ?
C18B C19B C20B Sc3B -70.0(3) . . . . ?
C16B C15B C20B C19B 9.3(2) . . . . ?
C14B C15B C20B C19B -146.32(15) . . . . ?
Sc3B C15B C20B C19B -62.3(3) . . . . ?
C16B C15B C20B C21B 146.75(14) . . . . ?
C14B C15B C20B C21B -8.8(2) . . . . ?
Sc3B C15B C20B C21B 75.2(3) . . . . ?
C16B C15B C20B Sc3B 71.5(3) . . . . ?
C14B C15B C20B Sc3B -84.0(3) . . . . ?
C19B C20B C21B C22B -6.52(18) . . . . ?
C15B C20B C21B C22B -148.51(13) . . . . ?
Sc3B C20B C21B C22B -63.9(2) . . . . ?
C19B C20B C21B C53B 134.49(14) . . . . ?
C15B C20B C21B C53B -7.5(2) . . . . ?
Sc3B C20B C21B C53B 77.1(2) . . . . ?
C19B C20B C21B Sc3B 57.4(2) . . . . ?
C15B C20B C21B Sc3B -84.6(2) . . . . ?
C20B C21B C22B C23B 3.93(17) . . . . ?
C53B C21B C22B C23B -137.31(13) . . . . ?
Sc3B C21B C22B C23B -57.4(3) . . . . ?
C20B C21B C22B C26B 127.81(13) . . . . ?
C53B C21B C22B C26B -13.42(18) . . . . ?
Sc3B C21B C22B C26B 66.5(3) . . . . ?
C20B C21B C22B Sc3B 61.3(3) . . . . ?
C53B C21B C22B Sc3B -79.9(3) . . . . ?
C21B C22B C23B C24B 130.87(12) . . . . ?
C26B C22B C23B C24B -0.02(14) . . . . ?
Sc3B C22B C23B C24B 69.7(2) . . . . ?
C21B C22B C23B C19B 0.18(16) . . . . ?
C26B C22B C23B C19B -130.71(12) . . . . ?
Sc3B C22B C23B C19B -61.0(2) . . . . ?
C21B C22B C23B Sc3B 61.2(2) . . . . ?
C26B C22B C23B Sc3B -69.7(2) . . . . ?
C20B C19B C23B C22B -4.21(17) . . . . ?
C18B C19B C23B C22B 136.90(14) . . . . ?
Sc3B C19B C23B C22B 68.8(3) . . . . ?
C20B C19B C23B C24B -128.17(14) . . . . ?
C18B C19B C23B C24B 12.9(2) . . . . ?
Sc3B C19B C23B C24B -55.2(3) . . . . ?
C20B C19B C23B Sc3B -73.0(3) . . . . ?
C18B C19B C23B Sc3B 68.1(3) . . . . ?
C22B C23B C24B C25B -0.32(14) . . . . ?
C19B C23B C24B C25B 123.80(12) . . . . ?
Sc3B C23B C24B C25B 72.2(3) . . . . ?
C22B C23B C24B C66B -141.85(12) . . . . ?
C19B C23B C24B C66B -17.73(18) . . . . ?
Sc3B C23B C24B C66B -69.3(3) . . . . ?
C22B C23B C24B Sc3B -72.6(3) . . . . ?
C19B C23B C24B Sc3B 51.6(3) . . . . ?
C23B C24B C25B C26B 0.53(13) . . . . ?
C66B C24B C25B C26B 141.67(10) . . . . ?
Sc3B C24B C25B C26B 65.4(2) . . . . ?
C23B C24B C25B C30B -142.27(11) . . . . ?
C66B C24B C25B C30B -1.13(15) . . . . ?
Sc3B C24B C25B C30B -77.4(3) . . . . ?
C23B C24B C25B Sc3B -64.8(3) . . . . ?
C66B C24B C25B Sc3B 76.3(3) . . . . ?
C24B C25B C26B C27B -141.07(11) . . . . ?
C30B C25B C26B C27B 1.75(15) . . . . ?
Sc3B C25B C26B C27B -82.3(2) . . . . ?
C24B C25B C26B C22B -0.54(13) . . . . ?
C30B C25B C26B C22B 142.28(11) . . . . ?
Sc3B C25B C26B C22B 58.2(2) . . . . ?
C24B C25B C26B Sc3B -58.7(2) . . . . ?
C30B C25B C26B Sc3B 84.1(2) . . . . ?
C23B C22B C26B C25B 0.34(14) . . . . ?
C21B C22B C26B C25B -123.66(12) . . . . ?
Sc3B C22B C26B C25B -60.7(3) . . . . ?
C23B C22B C26B C27B 141.25(12) . . . . ?
C21B C22B C26B C27B 17.24(17) . . . . ?
Sc3B C22B C26B C27B 80.2(3) . . . . ?
C23B C22B C26B Sc3B 61.1(3) . . . . ?
C21B C22B C26B Sc3B -62.9(3) . . . . ?
C25B C26B C27B C54B 128.92(14) . . . . ?
C22B C26B C27B C54B -7.6(2) . . . . ?
Sc3B C26B C27B C54B 58.4(2) . . . . ?
C25B C26B C27B C28B -11.14(18) . . . . ?
C22B C26B C27B C28B -147.69(13) . . . . ?
Sc3B C26B C27B C28B -81.7(2) . . . . ?
C54B C27B C28B C48B 7.04(17) . . . . ?
C26B C27B C28B C48B 151.43(13) . . . . ?
C54B C27B C28B C29B -135.85(14) . . . . ?
C26B C27B C28B C29B 8.54(19) . . . . ?
C48B C28B C29B C30B -134.89(13) . . . . ?
C27B C28B C29B C30B 3.38(18) . . . . ?
C48B C28B C29B C34B 21.69(19) . . . . ?
C27B C28B C29B C34B 159.96(13) . . . . ?
C48B C28B C29B Sc2B -42.53(19) . . . . ?
C27B C28B C29B Sc2B 95.74(17) . . . . ?
C24B C25B C30B C29B 148.01(11) . . . . ?
C26B C25B C30B C29B 9.97(16) . . . . ?
Sc3B C25B C30B C29B 85.0(3) . . . . ?
C24B C25B C30B C31B -10.10(16) . . . . ?
C26B C25B C30B C31B -148.15(11) . . . . ?
Sc3B C25B C30B C31B -73.2(3) . . . . ?
C24B C25B C30B Sc2B 70.4(2) . . . . ?
C26B C25B C30B Sc2B -67.6(2) . . . . ?
Sc3B C25B C30B Sc2B 7.4(4) . . . . ?
C28B C29B C30B C25B -12.47(17) . . . . ?
C34B C29B C30B C25B -168.40(12) . . . . ?
Sc2B C29B C30B C25B -117.02(17) . . . . ?
C28B C29B C30B C31B 145.52(13) . . . . ?
C34B C29B C30B C31B -10.42(19) . . . . ?
Sc2B C29B C30B C31B 40.96(18) . . . . ?
C28B C29B C30B Sc2B 104.56(18) . . . . ?
C34B C29B C30B Sc2B -51.38(17) . . . . ?
C25B C30B C31B C65B 12.40(17) . . . . ?
C29B C30B C31B C65B -145.59(13) . . . . ?
Sc2B C30B C31B C65B -105.52(16) . . . . ?
C25B C30B C31B C32B 168.25(12) . . . . ?
C29B C30B C31B C32B 10.26(19) . . . . ?
Sc2B C30B C31B C32B 50.33(15) . . . . ?
C25B C30B C31B Sc2B 117.92(15) . . . . ?
C29B C30B C31B Sc2B -40.07(16) . . . . ?
C65B C31B C32B C62B 21.91(18) . . . . ?
C30B C31B C32B C62B -134.42(13) . . . . ?
Sc2B C31B C32B C62B -73.8(2) . . . . ?
C65B C31B C32B C33B 158.09(13) . . . . ?
C30B C31B C32B C33B 1.8(2) . . . . ?
Sc2B C31B C32B C33B 62.4(2) . . . . ?
C65B C31B C32B Sc2B 95.7(2) . . . . ?
C30B C31B C32B Sc2B -60.6(2) . . . . ?
C62B C32B C33B C37B 2.55(16) . . . . ?
C31B C32B C33B C37B -138.20(13) . . . . ?
Sc2B C32B C33B C37B -66.6(2) . . . . ?
C62B C32B C33B C34B 126.97(13) . . . . ?
C31B C32B C33B C34B -13.79(19) . . . . ?
Sc2B C32B C33B C34B 57.8(2) . . . . ?
C62B C32B C33B Sc2B 69.1(2) . . . . ?
C31B C32B C33B Sc2B -71.6(3) . . . . ?
C37B C33B C34B C35B -2.27(16) . . . . ?
C32B C33B C34B C35B -126.68(13) . . . . ?
Sc2B C33B C34B C35B -67.49(18) . . . . ?
C37B C33B C34B C29B 138.02(13) . . . . ?
C32B C33B C34B C29B 13.61(19) . . . . ?
Sc2B C33B C34B C29B 72.81(19) . . . . ?
C37B C33B C34B Sc2B 65.21(18) . . . . ?
C32B C33B C34B Sc2B -59.20(18) . . . . ?
C28B C29B C34B C35B -22.05(18) . . . . ?
C30B C29B C34B C35B 134.35(13) . . . . ?
Sc2B C29B C34B C35B 70.9(2) . . . . ?
C28B C29B C34B C33B -157.83(13) . . . . ?
C30B C29B C34B C33B -1.4(2) . . . . ?
Sc2B C29B C34B C33B -64.9(2) . . . . ?
C28B C29B C34B Sc2B -93.0(2) . . . . ?
C30B C29B C34B Sc2B 63.4(2) . . . . ?
C33B C34B C35B C36B 3.78(16) . . . . ?
C29B C34B C35B C36B -136.73(12) . . . . ?
Sc2B C34B C35B C36B -60.4(2) . . . . ?
C33B C34B C35B C47B 147.24(13) . . . . ?
C29B C34B C35B C47B 6.73(19) . . . . ?
Sc2B C34B C35B C47B 83.1(2) . . . . ?
C33B C34B C35B Sc2B 64.2(2) . . . . ?
C29B C34B C35B Sc2B -76.3(2) . . . . ?
C34B C35B C36B C37B -3.83(16) . . . . ?
C47B C35B C36B C37B -147.26(14) . . . . ?
Sc2B C35B C36B C37B -62.05(17) . . . . ?
C34B C35B C36B C41B 136.61(12) . . . . ?
C47B C35B C36B C41B -6.82(19) . . . . ?
Sc2B C35B C36B C41B 78.39(18) . . . . ?
C34B C35B C36B Sc2B 58.22(17) . . . . ?
C47B C35B C36B Sc2B -85.22(19) . . . . ?
C34B C33B C37B C38B -131.13(13) . . . . ?
C32B C33B C37B C38B 0.07(16) . . . . ?
Sc2B C33B C37B C38B -67.1(3) . . . . ?
C34B C33B C37B C36B -0.08(16) . . . . ?
C32B C33B C37B C36B 131.12(13) . . . . ?
Sc2B C33B C37B C36B 63.9(3) . . . . ?
C34B C33B C37B Sc2B -64.0(3) . . . . ?
C32B C33B C37B Sc2B 67.2(3) . . . . ?
C35B C36B C37B C33B 2.41(16) . . . . ?
C41B C36B C37B C33B -137.80(13) . . . . ?
Sc2B C36B C37B C33B -61.4(2) . . . . ?
C35B C36B C37B C38B 126.61(13) . . . . ?
C41B C36B C37B C38B -13.60(18) . . . . ?
Sc2B C36B C37B C38B 62.8(2) . . . . ?
C35B C36B C37B Sc2B 63.8(2) . . . . ?
C41B C36B C37B Sc2B -76.4(2) . . . . ?
C33B C37B C38B C62B -2.66(16) . . . . ?
C36B C37B C38B C62B -126.86(13) . . . . ?
Sc2B C37B C38B C62B -65.42(17) . . . . ?
C33B C37B C38B C39B 137.81(13) . . . . ?
C36B C37B C38B C39B 13.61(18) . . . . ?
Sc2B C37B C38B C39B 75.04(18) . . . . ?
C33B C37B C38B Sc2B 62.76(17) . . . . ?
C36B C37B C38B Sc2B -61.43(18) . . . . ?
C62B C38B C39B C61B -21.96(18) . . . . ?
C37B C38B C39B C61B -157.97(14) . . . . ?
Sc2B C38B C39B C61B -94.2(2) . . . . ?
C62B C38B C39B C40B 133.89(14) . . . . ?
C37B C38B C39B C40B -2.1(2) . . . . ?
Sc2B C38B C39B C40B 61.6(2) . . . . ?
C62B C38B C39B Sc2B 72.26(19) . . . . ?
C37B C38B C39B Sc2B -63.75(19) . . . . ?
C4B C3B C40B C41B -11.0(2) . . . . ?
C2B C3B C40B C41B -148.82(15) . . . . ?
Sc1B C3B C40B C41B -80.1(3) . . . . ?
C4B C3B C40B C39B 148.79(15) . . . . ?
C2B C3B C40B C39B 10.9(2) . . . . ?
Sc1B C3B C40B C39B 79.7(3) . . . . ?
C61B C39B C40B C3B -13.4(2) . . . . ?
C38B C39B C40B C3B -168.87(14) . . . . ?
Sc2B C39B C40B C3B -119.01(19) . . . . ?
C61B C39B C40B C41B 146.17(15) . . . . ?
C38B C39B C40B C41B -9.3(2) . . . . ?
Sc2B C39B C40B C41B 40.59(18) . . . . ?
C3B C40B C41B C42B 13.4(2) . . . . ?
C39B C40B C41B C42B -146.18(15) . . . . ?
C3B C40B C41B C36B 168.85(14) . . . . ?
C39B C40B C41B C36B 9.3(2) . . . . ?
C3B C40B C41B Sc2B 118.2(2) . . . . ?
C39B C40B C41B Sc2B -41.42(19) . . . . ?
C35B C36B C41B C42B 22.28(18) . . . . ?
C37B C36B C41B C42B 158.00(14) . . . . ?
Sc2B C36B C41B C42B 91.8(3) . . . . ?
C35B C36B C41B C40B -133.62(14) . . . . ?
C37B C36B C41B C40B 2.1(2) . . . . ?
Sc2B C36B C41B C40B -64.1(3) . . . . ?
C35B C36B C41B Sc2B -69.5(3) . . . . ?
C37B C36B C41B Sc2B 66.2(3) . . . . ?
C40B C41B C42B C43B -4.0(2) . . . . ?
C36B C41B C42B C43B -160.05(13) . . . . ?
Sc2B C41B C42B C43B -97.5(2) . . . . ?
C40B C41B C42B C46B 134.47(17) . . . . ?
C36B C41B C42B C46B -21.6(2) . . . . ?
Sc2B C41B C42B C46B 40.9(2) . . . . ?
C46B C42B C43B C44B -7.25(18) . . . . ?
C41B C42B C43B C44B 135.80(15) . . . . ?
C46B C42B C43B C4B -151.25(14) . . . . ?
C41B C42B C43B C4B -8.2(2) . . . . ?
C46B C42B C43B Sc1B -90.4(3) . . . . ?
C41B C42B C43B Sc1B 52.6(3) . . . . ?
C3B C4B C43B C44B -128.93(14) . . . . ?
C5B C4B C43B C44B 8.11(17) . . . . ?
Sc1B C4B C43B C44B -58.0(2) . . . . ?
C3B C4B C43B C42B 10.77(19) . . . . ?
C5B C4B C43B C42B 147.80(13) . . . . ?
Sc1B C4B C43B C42B 81.7(3) . . . . ?
C3B C4B C43B Sc1B -70.9(2) . . . . ?
C5B C4B C43B Sc1B 66.1(2) . . . . ?
C42B C43B C44B C45B 5.98(18) . . . . ?
C4B C43B C44B C45B 149.91(13) . . . . ?
Sc1B C43B C44B C45B 101.3(2) . . . . ?
C42B C43B C44B C56B -137.93(13) . . . . ?
C4B C43B C44B C56B 5.99(19) . . . . ?
Sc1B C43B C44B C56B -42.7(2) . . . . ?
C43B C44B C45B C46B -2.40(19) . . . . ?
C56B C44B C45B C46B 141.00(15) . . . . ?
C43B C44B C45B C50B -145.62(16) . . . . ?
C56B C44B C45B C50B -2.2(2) . . . . ?
C43B C42B C46B C45B 5.7(2) . . . . ?
C41B C42B C46B C45B -137.35(16) . . . . ?
C43B C42B C46B C47B 148.38(15) . . . . ?
C41B C42B C46B C47B 5.3(2) . . . . ?
C44B C45B C46B C42B -2.1(2) . . . . ?
C50B C45B C46B C42B 141.16(18) . . . . ?
C44B C45B C46B C47B -144.59(16) . . . . ?
C50B C45B C46B C47B -1.4(3) . . . . ?
C36B C35B C47B C46B -9.9(2) . . . . ?
C34B C35B C47B C46B -149.11(15) . . . . ?
Sc2B C35B C47B C46B -81.5(2) . . . . ?
C36B C35B C47B C48B 148.82(14) . . . . ?
C34B C35B C47B C48B 9.6(2) . . . . ?
Sc2B C35B C47B C48B 77.2(2) . . . . ?
C42B C46B C47B C35B 10.7(2) . . . . ?
C45B C46B C47B C35B 148.82(16) . . . . ?
C42B C46B C47B C48B -148.02(17) . . . . ?
C45B C46B C47B C48B -9.9(3) . . . . ?
C27B C28B C48B C49B -5.60(18) . . . . ?
C29B C28B C48B C49B 137.41(14) . . . . ?
C27B C28B C48B C47B -148.75(15) . . . . ?
C29B C28B C48B C47B -5.7(2) . . . . ?
C35B C47B C48B C28B -10.2(2) . . . . ?
C46B C47B C48B C28B 148.62(16) . . . . ?
C35B C47B C48B C49B -148.79(16) . . . . ?
C46B C47B C48B C49B 10.0(2) . . . . ?
C28B C48B C49B C54B 2.07(19) . . . . ?
C47B C48B C49B C54B 145.16(16) . . . . ?
C28B C48B C49B C50B -141.79(17) . . . . ?
C47B C48B C49B C50B 1.3(3) . . . . ?
C44B C45B C50B C49B 151.38(17) . . . . ?
C46B C45B C50B C49B 12.6(3) . . . . ?
C44B C45B C50B C51B -5.3(3) . . . . ?
C46B C45B C50B C51B -144.08(18) . . . . ?
C54B C49B C50B C45B -152.03(18) . . . . ?
C48B C49B C50B C45B -12.6(3) . . . . ?
C54B C49B C50B C51B 4.7(3) . . . . ?
C48B C49B C50B C51B 144.11(18) . . . . ?
C45B C50B C51B C52B 148.61(18) . . . . ?
C49B C50B C51B C52B -8.1(3) . . . . ?
C45B C50B C51B C55B 8.6(3) . . . . ?
C49B C50B C51B C55B -148.11(17) . . . . ?
C55B C51B C52B C14B 4.3(2) . . . . ?
C50B C51B C52B C14B -140.13(18) . . . . ?
C55B C51B C52B C53B 149.10(16) . . . . ?
C50B C51B C52B C53B 4.7(3) . . . . ?
C13B C14B C52B C51B -2.8(2) . . . . ?
C15B C14B C52B C51B 140.79(16) . . . . ?
C13B C14B C52B C53B -147.65(16) . . . . ?
C15B C14B C52B C53B -4.0(3) . . . . ?
C22B C21B C53B C54B 0.1(2) . . . . ?
C20B C21B C53B C54B -136.54(15) . . . . ?
Sc3B C21B C53B C54B -70.7(2) . . . . ?
C22B C21B C53B C52B 154.67(14) . . . . ?
C20B C21B C53B C52B 18.0(2) . . . . ?
Sc3B C21B C53B C52B 83.9(2) . . . . ?
C22B C21B C53B Sc3B 70.8(2) . . . . ?
C20B C21B C53B Sc3B -65.9(2) . . . . ?
C51B C52B C53B C21B -152.80(16) . . . . ?
C14B C52B C53B C21B -12.3(2) . . . . ?
C51B C52B C53B C54B 2.0(2) . . . . ?
C14B C52B C53B C54B 142.44(17) . . . . ?
C51B C52B C53B Sc3B -92.3(2) . . . . ?
C14B C52B C53B Sc3B 48.2(2) . . . . ?
C28B C27B C54B C49B -5.78(19) . . . . ?
C26B C27B C54B C49B -150.07(14) . . . . ?
C28B C27B C54B C53B 138.60(15) . . . . ?
C26B C27B C54B C53B -5.7(2) . . . . ?
C48B C49B C54B C27B 2.3(2) . . . . ?
C50B C49B C54B C27B 146.06(17) . . . . ?
C48B C49B C54B C53B -141.76(16) . . . . ?
C50B C49B C54B C53B 2.0(3) . . . . ?
C21B C53B C54B C27B 9.5(2) . . . . ?
C52B C53B C54B C27B -145.06(15) . . . . ?
Sc3B C53B C54B C27B -45.2(2) . . . . ?
C21B C53B C54B C49B 149.15(16) . . . . ?
C52B C53B C54B C49B -5.4(2) . . . . ?
Sc3B C53B C54B C49B 94.5(2) . . . . ?
C52B C51B C55B C13B -4.1(2) . . . . ?
C50B C51B C55B C13B 140.37(18) . . . . ?
C52B C51B C55B C56B -148.67(16) . . . . ?
C50B C51B C55B C56B -4.2(3) . . . . ?
C14B C13B C55B C51B 2.3(2) . . . . ?
C12B C13B C55B C51B -140.26(18) . . . . ?
C14B C13B C55B C56B 146.93(15) . . . . ?
C12B C13B C55B C56B 4.4(3) . . . . ?
C5B C6B C56B C44B -0.01(17) . . . . ?
C7B C6B C56B C44B 137.42(13) . . . . ?
Sc1B C6B C56B C44B 67.7(2) . . . . ?
C5B C6B C56B C55B -155.85(12) . . . . ?
C7B C6B C56B C55B -18.43(17) . . . . ?
Sc1B C6B C56B C55B -88.1(2) . . . . ?
C5B C6B C56B Sc1B -67.7(2) . . . . ?
C7B C6B C56B Sc1B 69.7(2) . . . . ?
C43B C44B C56B C6B -10.06(19) . . . . ?
C45B C44B C56B C6B -149.19(14) . . . . ?
C43B C44B C56B C55B 145.69(13) . . . . ?
C45B C44B C56B C55B 6.6(2) . . . . ?
C43B C44B C56B Sc1B 45.1(2) . . . . ?
C45B C44B C56B Sc1B -94.1(2) . . . . ?
C51B C55B C56B C6B 152.77(14) . . . . ?
C13B C55B C56B C6B 12.5(2) . . . . ?
C51B C55B C56B C44B -3.3(2) . . . . ?
C13B C55B C56B C44B -143.56(16) . . . . ?
C51B C55B C56B Sc1B 88.4(3) . . . . ?
C13B C55B C56B Sc1B -51.8(3) . . . . ?
C3B C2B C57B C58B 129.19(14) . . . . ?
C1B C2B C57B C58B -7.97(17) . . . . ?
Sc1B C2B C57B C58B 58.2(2) . . . . ?
C3B C2B C57B C61B -10.43(19) . . . . ?
C1B C2B C57B C61B -147.58(13) . . . . ?
Sc1B C2B C57B C61B -81.5(2) . . . . ?
C3B C2B C57B Sc1B 71.0(2) . . . . ?
C1B C2B C57B Sc1B -66.1(2) . . . . ?
C61B C57B C58B C59B -5.55(17) . . . . ?
C2B C57B C58B C59B -149.37(13) . . . . ?
Sc1B C57B C58B C59B -100.6(2) . . . . ?
C61B C57B C58B C9B 137.51(13) . . . . ?
C2B C57B C58B C9B -6.32(19) . . . . ?
Sc1B C57B C58B C9B 42.45(19) . . . . ?
C8B C9B C58B C57B 10.60(18) . . . . ?
C10B C9B C58B C57B -145.53(13) . . . . ?
Sc1B C9B C58B C57B -44.8(2) . . . . ?
C8B C9B C58B C59B 148.96(13) . . . . ?
C10B C9B C58B C59B -7.2(2) . . . . ?
Sc1B C9B C58B C59B 93.6(2) . . . . ?
C57B C58B C59B C60B 1.83(19) . . . . ?
C9B C58B C59B C60B -141.01(15) . . . . ?
C57B C58B C59B C69B 145.73(15) . . . . ?
C9B C58B C59B C69B 2.9(2) . . . . ?
C58B C59B C60B C61B 2.6(2) . . . . ?
C69B C59B C60B C61B -141.38(17) . . . . ?
C58B C59B C60B C63B 145.54(16) . . . . ?
C69B C59B C60B C63B 1.6(3) . . . . ?
C59B C60B C61B C57B -6.0(2) . . . . ?
C63B C60B C61B C57B -149.01(16) . . . . ?
C59B C60B C61B C39B 137.44(16) . . . . ?
C63B C60B C61B C39B -5.6(3) . . . . ?
C58B C57B C61B C60B 7.14(18) . . . . ?
C2B C57B C61B C60B 151.09(14) . . . . ?
Sc1B C57B C61B C60B 90.3(2) . . . . ?
C58B C57B C61B C39B -136.17(15) . . . . ?
C2B C57B C61B C39B 7.8(2) . . . . ?
Sc1B C57B C61B C39B -53.0(2) . . . . ?
C40B C39B C61B C60B -134.45(17) . . . . ?
C38B C39B C61B C60B 21.6(2) . . . . ?
Sc2B C39B C61B C60B -42.4(2) . . . . ?
C40B C39B C61B C57B 4.2(2) . . . . ?
C38B C39B C61B C57B 160.27(14) . . . . ?
Sc2B C39B C61B C57B 96.25(19) . . . . ?
C37B C38B C62B C32B 4.26(16) . . . . ?
C39B C38B C62B C32B -136.46(12) . . . . ?
Sc2B C38B C62B C32B -56.52(19) . . . . ?
C37B C38B C62B C63B 147.31(14) . . . . ?
C39B C38B C62B C63B 6.59(19) . . . . ?
Sc2B C38B C62B C63B 86.5(2) . . . . ?
C37B C38B C62B Sc2B 60.78(18) . . . . ?
C39B C38B C62B Sc2B -79.94(19) . . . . ?
C33B C32B C62B C38B -4.22(16) . . . . ?
C31B C32B C62B C38B 136.69(12) . . . . ?
Sc2B C32B C62B C38B 58.57(16) . . . . ?
C33B C32B C62B C63B -147.31(13) . . . . ?
C31B C32B C62B C63B -6.40(19) . . . . ?
Sc2B C32B C62B C63B -84.52(18) . . . . ?
C33B C32B C62B Sc2B -62.79(16) . . . . ?
C31B C32B C62B Sc2B 78.12(17) . . . . ?
C38B C62B C63B C64B -148.72(14) . . . . ?
C32B C62B C63B C64B -9.9(2) . . . . ?
Sc2B C62B C63B C64B -77.3(2) . . . . ?
C38B C62B C63B C60B 9.7(2) . . . . ?
C32B C62B C63B C60B 148.54(15) . . . . ?
Sc2B C62B C63B C60B 81.1(2) . . . . ?
C61B C60B C63B C62B -10.3(3) . . . . ?
C59B C60B C63B C62B -148.84(16) . . . . ?
C61B C60B C63B C64B 148.21(17) . . . . ?
C59B C60B C63B C64B 9.7(3) . . . . ?
C62B C63B C64B C65B 10.2(2) . . . . ?
C60B C63B C64B C65B -148.30(16) . . . . ?
C62B C63B C64B C68B 149.14(16) . . . . ?
C60B C63B C64B C68B -9.3(2) . . . . ?
C68B C64B C65B C66B 5.50(17) . . . . ?
C63B C64B C65B C66B 148.95(14) . . . . ?
C68B C64B C65B C31B -137.56(14) . . . . ?
C63B C64B C65B C31B 5.9(2) . . . . ?
C32B C31B C65B C66B -160.06(12) . . . . ?
C30B C31B C65B C66B -3.58(18) . . . . ?
Sc2B C31B C65B C66B -94.3(2) . . . . ?
C32B C31B C65B C64B -21.8(2) . . . . ?
C30B C31B C65B C64B 134.72(13) . . . . ?
Sc2B C31B C65B C64B 44.0(2) . . . . ?
C64B C65B C66B C67B -6.91(15) . . . . ?
C31B C65B C66B C67B 135.95(12) . . . . ?
C64B C65B C66B C24B -150.66(12) . . . . ?
C31B C65B C66B C24B -7.81(18) . . . . ?
C64B C65B C66B Sc3B -85.6(3) . . . . ?
C31B C65B C66B Sc3B 57.3(3) . . . . ?
C25B C24B C66B C67B -129.21(12) . . . . ?
C23B C24B C66B C67B 7.97(18) . . . . ?
Sc3B C24B C66B C67B -54.2(2) . . . . ?
C25B C24B C66B C65B 10.23(16) . . . . ?
C23B C24B C66B C65B 147.41(12) . . . . ?
Sc3B C24B C66B C65B 85.3(2) . . . . ?
C25B C24B C66B Sc3B -75.1(2) . . . . ?
C23B C24B C66B Sc3B 62.1(2) . . . . ?
C65B C66B C67B C68B 5.66(15) . . . . ?
C24B C66B C67B C68B 149.31(13) . . . . ?
Sc3B C66B C67B C68B 100.8(2) . . . . ?
C65B C66B C67B C18B -137.09(13) . . . . ?
C24B C66B C67B C18B 6.56(18) . . . . ?
Sc3B C66B C67B C18B -42.0(2) . . . . ?
C65B C66B C67B Sc3B -95.1(2) . . . . ?
C24B C66B C67B Sc3B 48.5(2) . . . . ?
C19B C18B C67B C66B -11.34(19) . . . . ?
C17B C18B C67B C66B 145.77(14) . . . . ?
Sc3B C18B C67B C66B 46.0(2) . . . . ?
C19B C18B C67B C68B -149.36(14) . . . . ?
C17B C18B C67B C68B 7.7(2) . . . . ?
Sc3B C18B C67B C68B -92.0(2) . . . . ?
C19B C18B C67B Sc3B -57.4(2) . . . . ?
C17B C18B C67B Sc3B 99.7(2) . . . . ?
C65B C64B C68B C67B -2.03(18) . . . . ?
C63B C64B C68B C67B -145.34(15) . . . . ?
C65B C64B C68B C69B 141.07(16) . . . . ?
C63B C64B C68B C69B -2.2(2) . . . . ?
C66B C67B C68B C64B -2.23(17) . . . . ?
C18B C67B C68B C64B 140.28(14) . . . . ?
Sc3B C67B C68B C64B 73.8(2) . . . . ?
C66B C67B C68B C69B -145.21(15) . . . . ?
C18B C67B C68B C69B -2.7(2) . . . . ?
Sc3B C67B C68B C69B -69.2(2) . . . . ?
C58B C59B C69B C68B -152.67(17) . . . . ?
C60B C59B C69B C68B -13.1(3) . . . . ?
C58B C59B C69B C70B 5.2(3) . . . . ?
C60B C59B C69B C70B 144.79(17) . . . . ?
C64B C68B C69B C59B 13.4(3) . . . . ?
C67B C68B C69B C59B 152.03(16) . . . . ?
C64B C68B C69B C70B -144.44(17) . . . . ?
C67B C68B C69B C70B -5.9(3) . . . . ?
C11B C10B C70B C17B 4.4(2) . . . . ?
C9B C10B C70B C17B 148.55(15) . . . . ?
C11B C10B C70B C69B -139.27(17) . . . . ?
C9B C10B C70B C69B 4.9(2) . . . . ?
C16B C17B C70B C10B -4.3(2) . . . . ?
C18B C17B C70B C10B -147.95(16) . . . . ?
C16B C17B C70B C69B 139.24(17) . . . . ?
C18B C17B C70B C69B -4.4(2) . . . . ?
C59B C69B C70B C10B -9.2(2) . . . . ?
C68B C69B C70B C10B 148.64(17) . . . . ?
C59B C69B C70B C17B -148.39(17) . . . . ?
C68B C69B C70B C17B 9.4(3) . . . . ?
C3S C1S C2S C3S -1.6(14) . . . 3_756 ?
C2S C1S C3S C2S 1.6(13) . . . 3_756 ?
C9S C4S C5S C6S 1.0(9) . . . . ?
C10S C4S C5S C6S -177.2(6) . . . . ?
C4S C5S C6S C7S -1.4(9) . . . . ?
C5S C6S C7S C8S 1.9(10) . . . . ?
C6S C7S C8S C9S -1.9(10) . . . . ?
C5S C4S C9S C8S -1.0(10) . . . . ?
C10S C4S C9S C8S 177.0(7) . . . . ?
C7S C8S C9S C4S 1.4(10) . . . . ?
C4P N1P C1P C20P -178.1(2) . . . . ?
Ni1P N1P C1P C20P -1.1(3) . . . . ?
C4P N1P C1P C2P 0.0(2) . . . . ?
Ni1P N1P C1P C2P 177.00(14) . . . . ?
C20P C1P C2P C3P 177.8(2) . . . . ?
N1P C1P C2P C3P -0.3(2) . . . . ?
C20P C1P C2P C21P 1.1(3) . . . . ?
N1P C1P C2P C21P -176.99(17) . . . . ?
C1P C2P C3P C4P 0.5(2) . . . . ?
C21P C2P C3P C4P 176.96(19) . . . . ?
C1P C2P C3P C23P -176.1(2) . . . . ?
C21P C2P C3P C23P 0.4(3) . . . . ?
C1P N1P C4P C5P 178.56(19) . . . . ?
Ni1P N1P C4P C5P 1.5(3) . . . . ?
C1P N1P C4P C3P 0.3(2) . . . . ?
Ni1P N1P C4P C3P -176.73(14) . . . . ?
C2P C3P C4P C5P -178.77(19) . . . . ?
C23P C3P C4P C5P -2.0(3) . . . . ?
C2P C3P C4P N1P -0.5(2) . . . . ?
C23P C3P C4P N1P 176.3(2) . . . . ?
N1P C4P C5P C6P -2.5(3) . . . . ?
C3P C4P C5P C6P 175.5(2) . . . . ?
C4P C5P C6P N2P 2.3(3) . . . . ?
C4P C5P C6P C7P -176.0(2) . . . . ?
C9P N2P C6P C5P -179.27(19) . . . . ?
Ni1P N2P C6P C5P -1.1(3) . . . . ?
C9P N2P C6P C7P -0.8(2) . . . . ?
Ni1P N2P C6P C7P 177.38(14) . . . . ?
C5P C6P C7P C8P 178.3(2) . . . . ?
N2P C6P C7P C8P -0.2(2) . . . . ?
C5P C6P C7P C25P 1.8(3) . . . . ?
N2P C6P C7P C25P -176.7(2) . . . . ?
C6P C7P C8P C9P 1.1(2) . . . . ?
C25P C7P C8P C9P 177.3(2) . . . . ?
C6P C7P C8P C27P -174.8(2) . . . . ?
C25P C7P C8P C27P 1.4(4) . . . . ?
C6P N2P C9P C10P -179.9(2) . . . . ?
Ni1P N2P C9P C10P 2.0(3) . . . . ?
C6P N2P C9P C8P 1.4(2) . . . . ?
Ni1P N2P C9P C8P -176.69(15) . . . . ?
C7P C8P C9P C10P 179.7(2) . . . . ?
C27P C8P C9P C10P -4.2(3) . . . . ?
C7P C8P C9P N2P -1.6(2) . . . . ?
C27P C8P C9P N2P 174.4(2) . . . . ?
N2P C9P C10P C11P -2.4(4) . . . . ?
C8P C9P C10P C11P 176.1(2) . . . . ?
C9P C10P C11P N3P 0.9(4) . . . . ?
C9P C10P C11P C12P -177.4(2) . . . . ?
C14P N3P C11P C10P -178.2(2) . . . . ?
Ni1P N3P C11P C10P 0.8(3) . . . . ?
C14P N3P C11P C12P 0.4(2) . . . . ?
Ni1P N3P C11P C12P 179.38(14) . . . . ?
C10P C11P C12P C13P 177.7(2) . . . . ?
N3P C11P C12P C13P -0.8(2) . . . . ?
C10P C11P C12P C29P 1.1(3) . . . . ?
N3P C11P C12P C29P -177.48(19) . . . . ?
C11P C12P C13P C14P 0.8(2) . . . . ?
C29P C12P C13P C14P 177.4(2) . . . . ?
C11P C12P C13P C31P -177.3(2) . . . . ?
C29P C12P C13P C31P -0.8(4) . . . . ?
C11P N3P C14P C15P 178.4(2) . . . . ?
Ni1P N3P C14P C15P -0.6(3) . . . . ?
C11P N3P C14P C13P 0.1(2) . . . . ?
Ni1P N3P C14P C13P -178.85(15) . . . . ?
C12P C13P C14P C15P -179.0(2) . . . . ?
C31P C13P C14P C15P -0.7(3) . . . . ?
C12P C13P C14P N3P -0.6(2) . . . . ?
C31P C13P C14P N3P 177.6(2) . . . . ?
N3P C14P C15P C16P -0.7(3) . . . . ?
C13P C14P C15P C16P 177.4(2) . . . . ?
C14P C15P C16P N4P 1.5(3) . . . . ?
C14P C15P C16P C17P -177.5(2) . . . . ?
C19P N4P C16P C15P -179.5(2) . . . . ?
Ni1P N4P C16P C15P -1.0(3) . . . . ?
C19P N4P C16P C17P -0.4(2) . . . . ?
Ni1P N4P C16P C17P 178.12(14) . . . . ?
C15P C16P C17P C18P 179.2(2) . . . . ?
N4P C16P C17P C18P 0.1(2) . . . . ?
C15P C16P C17P C33P 1.6(3) . . . . ?
N4P C16P C17P C33P -177.5(2) . . . . ?
C16P C17P C18P C19P 0.2(2) . . . . ?
C33P C17P C18P C19P 177.7(2) . . . . ?
C16P C17P C18P C35P -176.21(19) . . . . ?
C33P C17P C18P C35P 1.3(4) . . . . ?
C16P N4P C19P C20P 179.4(2) . . . . ?
Ni1P N4P C19P C20P 0.9(3) . . . . ?
C16P N4P C19P C18P 0.5(2) . . . . ?
Ni1P N4P C19P C18P -178.00(14) . . . . ?
C17P C18P C19P C20P -179.4(2) . . . . ?
C35P C18P C19P C20P -2.7(3) . . . . ?
C17P C18P C19P N4P -0.5(2) . . . . ?
C35P C18P C19P N4P 176.20(18) . . . . ?
N4P C19P C20P C1P -1.7(4) . . . . ?
C18P C19P C20P C1P 177.1(2) . . . . ?
N1P C1P C20P C19P 1.8(4) . . . . ?
C2P C1P C20P C19P -176.1(2) . . . . ?
C3P C2P C21P C22P -95.1(4) . . . . ?
C1P C2P C21P C22P 80.9(4) . . . . ?
C2P C3P C23P C24P 94.9(3) . . . . ?
C4P C3P C23P C24P -81.2(3) . . . . ?
C8P C7P C25P C26P -102.3(4) . . . . ?
C6P C7P C25P C26P 73.3(4) . . . . ?
C7P C8P C27P C28P 94.4(5) . . . . ?
C9P C8P C27P C28P -80.8(5) . . . . ?
C13P C12P C29P C30P -80.5(6) . . . . ?
C11P C12P C29P C30P 95.4(6) . . . . ?
C12P C13P C31P C32P 104.3(4) . . . . ?
C14P C13P C31P C32P -73.5(4) . . . . ?
C18P C17P C33P C34P -92.8(4) . . . . ?
C16P C17P C33P C34P 84.2(4) . . . . ?
C17P C18P C35P C36P 99.4(4) . . . . ?
C19P C18P C35P C36P -76.5(3) . . . . ?
C4Q N1Q C1Q C20Q -178.3(2) . . . . ?
Ni1Q N1Q C1Q C20Q -1.4(3) . . . . ?
C4Q N1Q C1Q C2Q -0.2(2) . . . . ?
Ni1Q N1Q C1Q C2Q 176.67(15) . . . . ?
C20Q C1Q C2Q C3Q 178.7(2) . . . . ?
N1Q C1Q C2Q C3Q 0.6(2) . . . . ?
C20Q C1Q C2Q C21Q 2.1(3) . . . . ?
N1Q C1Q C2Q C21Q -176.00(19) . . . . ?
C1Q C2Q C3Q C4Q -0.7(2) . . . . ?
C21Q C2Q C3Q C4Q 175.7(2) . . . . ?
C1Q C2Q C3Q C23Q -177.2(2) . . . . ?
C21Q C2Q C3Q C23Q -0.8(4) . . . . ?
C1Q N1Q C4Q C5Q 178.3(2) . . . . ?
Ni1Q N1Q C4Q C5Q 1.4(3) . . . . ?
C1Q N1Q C4Q C3Q -0.3(2) . . . . ?
Ni1Q N1Q C4Q C3Q -177.16(15) . . . . ?
C2Q C3Q C4Q C5Q -177.9(2) . . . . ?
C23Q C3Q C4Q C5Q -1.2(3) . . . . ?
C2Q C3Q C4Q N1Q 0.7(2) . . . . ?
C23Q C3Q C4Q N1Q 177.4(2) . . . . ?
N1Q C4Q C5Q C6Q -2.1(4) . . . . ?
C3Q C4Q C5Q C6Q 176.3(2) . . . . ?
C4Q C5Q C6Q N2Q 2.3(4) . . . . ?
C4Q C5Q C6Q C7Q -179.2(2) . . . . ?
C9Q N2Q C6Q C5Q 179.6(2) . . . . ?
Ni1Q N2Q C6Q C5Q -1.8(4) . . . . ?
C9Q N2Q C6Q C7Q 0.9(3) . . . . ?
Ni1Q N2Q C6Q C7Q 179.47(16) . . . . ?
C5Q C6Q C7Q C8Q -178.7(2) . . . . ?
N2Q C6Q C7Q C8Q 0.0(3) . . . . ?
C5Q C6Q C7Q C25Q 4.8(4) . . . . ?
N2Q C6Q C7Q C25Q -176.5(2) . . . . ?
C6Q C7Q C8Q C9Q -0.8(2) . . . . ?
C25Q C7Q C8Q C9Q 175.4(2) . . . . ?
C6Q C7Q C8Q C27Q -176.8(2) . . . . ?
C25Q C7Q C8Q C27Q -0.6(4) . . . . ?
C6Q N2Q C9Q C10Q 177.8(3) . . . . ?
Ni1Q N2Q C9Q C10Q -0.8(4) . . . . ?
C6Q N2Q C9Q C8Q -1.4(3) . . . . ?
Ni1Q N2Q C9Q C8Q 180.00(17) . . . . ?
C7Q C8Q C9Q C10Q -177.8(3) . . . . ?
C27Q C8Q C9Q C10Q -1.6(4) . . . . ?
C7Q C8Q C9Q N2Q 1.5(3) . . . . ?
C27Q C8Q C9Q N2Q 177.6(2) . . . . ?
N2Q C9Q C10Q C11Q -1.1(4) . . . . ?
C8Q C9Q C10Q C11Q 178.0(3) . . . . ?
C9Q C10Q C11Q N3Q 2.2(4) . . . . ?
C9Q C10Q C11Q C12Q -175.7(3) . . . . ?
C14Q N3Q C11Q C10Q -179.6(2) . . . . ?
Ni1Q N3Q C11Q C10Q -1.4(3) . . . . ?
C14Q N3Q C11Q C12Q -1.4(2) . . . . ?
Ni1Q N3Q C11Q C12Q 176.78(16) . . . . ?
C10Q C11Q C12Q C13Q 179.7(3) . . . . ?
N3Q C11Q C12Q C13Q 1.5(3) . . . . ?
C10Q C11Q C12Q C29Q -3.7(4) . . . . ?
N3Q C11Q C12Q C29Q 178.1(2) . . . . ?
C11Q C12Q C13Q C14Q -0.9(2) . . . . ?
C29Q C12Q C13Q C14Q -177.4(2) . . . . ?
C11Q C12Q C13Q C31Q -179.1(3) . . . . ?
C29Q C12Q C13Q C31Q 4.4(4) . . . . ?
C11Q N3Q C14Q C15Q 178.9(2) . . . . ?
Ni1Q N3Q C14Q C15Q 0.7(3) . . . . ?
C11Q N3Q C14Q C13Q 0.8(2) . . . . ?
Ni1Q N3Q C14Q C13Q -177.38(17) . . . . ?
C12Q C13Q C14Q C15Q -178.1(2) . . . . ?
C31Q C13Q C14Q C15Q 0.2(4) . . . . ?
C12Q C13Q C14Q N3Q 0.1(3) . . . . ?
C31Q C13Q C14Q N3Q 178.4(2) . . . . ?
N3Q C14Q C15Q C16Q -2.0(3) . . . . ?
C13Q C14Q C15Q C16Q 175.9(2) . . . . ?
C14Q C15Q C16Q N4Q 1.7(3) . . . . ?
C14Q C15Q C16Q C17Q -176.7(2) . . . . ?
C19Q N4Q C16Q C15Q -179.4(2) . . . . ?
Ni1Q N4Q C16Q C15Q -0.3(3) . . . . ?
C19Q N4Q C16Q C17Q -0.8(2) . . . . ?
Ni1Q N4Q C16Q C17Q 178.30(16) . . . . ?
C15Q C16Q C17Q C18Q 179.4(2) . . . . ?
N4Q C16Q C17Q C18Q 0.8(2) . . . . ?
C15Q C16Q C17Q C33Q 1.8(4) . . . . ?
N4Q C16Q C17Q C33Q -176.8(2) . . . . ?
C16Q C17Q C18Q C19Q -0.4(2) . . . . ?
C33Q C17Q C18Q C19Q 177.1(2) . . . . ?
C16Q C17Q C18Q C35Q -176.8(2) . . . . ?
C33Q C17Q C18Q C35Q 0.6(4) . . . . ?
C16Q N4Q C19Q C20Q 179.3(3) . . . . ?
Ni1Q N4Q C19Q C20Q 0.2(4) . . . . ?
C16Q N4Q C19Q C18Q 0.6(2) . . . . ?
Ni1Q N4Q C19Q C18Q -178.55(16) . . . . ?
C17Q C18Q C19Q C20Q -178.9(3) . . . . ?
C35Q C18Q C19Q C20Q -2.2(4) . . . . ?
C17Q C18Q C19Q N4Q -0.1(3) . . . . ?
C35Q C18Q C19Q N4Q 176.6(2) . . . . ?
N4Q C19Q C20Q C1Q -1.3(4) . . . . ?
C18Q C19Q C20Q C1Q 177.3(3) . . . . ?
N1Q C1Q C20Q C19Q 2.0(4) . . . . ?
C2Q C1Q C20Q C19Q -175.9(3) . . . . ?
C3Q C2Q C21Q C22Q -97.6(7) . . . . ?
C1Q C2Q C21Q C22Q 78.2(8) . . . . ?
C2Q C3Q C23Q C24Q 98.2(4) . . . . ?
C4Q C3Q C23Q C24Q -77.8(4) . . . . ?
C8Q C7Q C25Q C26Q -102.0(7) . . . . ?
C6Q C7Q C25Q C26Q 73.7(7) . . . . ?
C7Q C8Q C27Q C28Q 75.2(6) . . . . ?
C9Q C8Q C27Q C28Q -100.2(6) . . . . ?
C13Q C12Q C29Q C30Q -106.9(7) . . . . ?
C11Q C12Q C29Q C30Q 77.3(7) . . . . ?
C12Q C13Q C31Q C32Q 97.5(6) . . . . ?
C14Q C13Q C31Q C32Q -80.4(6) . . . . ?
C18Q C17Q C33Q C34Q -90.3(5) . . . . ?
C16Q C17Q C33Q C34Q 86.7(5) . . . . ?
C17Q C18Q C35Q C36Q 100.6(7) . . . . ?
C19Q C18Q C35Q C36Q -75.3(7) . . . . ?

_refine_diff_density_max         0.951
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.132



####################################################################### 
# 
# 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@c70_2_50k
_database_code_depnum_ccdc_archive 'CCDC 2362044'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Nanjing Normal University
China
;
_audit_update_record             
;
2024-07-30 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_sc3n@c70_2_50k      
;
PROBLEM: measured_fraction_theta_full value Low
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility.
;
_vrf_PLAT088_sc3n@c70_2_50k      
;
PROBLEM: Poor Data / Parameter Ratio
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility and the disorder model.
;
_vrf_PLAT250_sc3n@c70_2_50k      
;
PROBLEM: Large U3/U1 Ratio for Average U(i,j) Tensor
RESPONSE: This is caused by the disorder model with minor (20%) 
occupancy, which shows strong libration because of sub-orientations.
;
_vrf_PLAT911_sc3n@c70_2_50k      
;
PROBLEM: Missing FCF reflections
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C2v(7854)-C70/NiOEP/0.5(C6H6)/C7H8;
_chemical_formula_sum            'C116 H55 N5 Ni Sc3'
_chemical_formula_weight         1712.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0057 0.0027 '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 0.0106 0.0055 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2388 1.6742 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3237 0.5780 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.200(3)
_cell_length_b                   16.420(3)
_cell_length_c                   25.750(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.34(3)
_cell_angle_gamma                90
_cell_volume                     6979(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    50(2)
_cell_measurement_reflns_used    60171
_cell_measurement_theta_min      1.554
_cell_measurement_theta_max      34.027

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_F_000             3508
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    1.135
_shelx_estimated_absorpt_T_min   0.895
_shelx_estimated_absorpt_T_max   0.935
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      50(2)
_diffrn_radiation_wavelength     0.895
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.3'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60171
_diffrn_reflns_av_unetI/netI     0.0700
_diffrn_reflns_av_R_equivalents  0.0934
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.554
_diffrn_reflns_theta_max         34.027
_diffrn_reflns_theta_full        32.480
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measured_fraction_theta_full 0.905
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_Laue_measured_fraction_full 0.905
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_point_group_measured_fraction_full 0.905
_reflns_number_total             12045
_reflns_number_gt                10866
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1426P)²+19.4387P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.00100(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         12045
_refine_ls_number_parameters     2177
_refine_ls_number_restraints     3545
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0822
_refine_ls_wR_factor_ref         0.2370
_refine_ls_wR_factor_gt          0.2255
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.162
_refine_ls_shift/su_max          0.081
_refine_ls_shift/su_mean         0.003

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 0.45007(6) 0.46121(6) 0.84988(4) 0.0185(3) Uani 0.793(3) 1 d . . P A 1
Sc2A Sc 0.35812(6) 0.43924(5) 0.72447(4) 0.0186(3) Uani 0.793(3) 1 d . . P A 1
Sc3A Sc 0.22337(7) 0.51754(7) 0.77268(5) 0.0201(3) Uani 0.793(3) 1 d . . P A 1
N1A N 0.3417(4) 0.4782(3) 0.7932(3) 0.0105(11) Uani 0.793(3) 1 d . U P A 1
C1A C 0.58282(7) 0.47793(6) 0.90725(4) 0.0290(13) Uani 0.793(3) 1 d D U P A 1
C2A C 0.59212(8) 0.47772(6) 0.85355(4) 0.0315(14) Uani 0.793(3) 1 d D U P A 1
C3A C 0.57112(8) 0.39843(6) 0.83041(4) 0.0294(12) Uani 0.793(3) 1 d D U P A 1
C4A C 0.54910(7) 0.34973(6) 0.87027(4) 0.0291(12) Uani 0.793(3) 1 d D U P A 1
C5A C 0.55613(7) 0.39865(7) 0.91758(5) 0.0290(12) Uani 0.793(3) 1 d D U P A 1
C6A C 0.48728(6) 0.40818(6) 0.93801(5) 0.0244(11) Uani 0.793(3) 1 d D U P A 1
C7A C 0.47513(6) 0.49390(6) 0.94400(5) 0.0219(11) Uani 0.793(3) 1 d D U P A 1
C8A C 0.53078(7) 0.53699(6) 0.92150(5) 0.0243(11) Uani 0.793(3) 1 d D U P A 1
C9A C 0.50255(7) 0.60618(6) 0.88636(5) 0.0260(11) Uani 0.793(3) 1 d D U P A 1
C10A C 0.42766(7) 0.64448(10) 0.88808(5) 0.0295(13) Uani 0.793(3) 1 d D U P A 1
C11A C 0.37534(7) 0.60626(9) 0.91471(7) 0.0264(12) Uani 0.793(3) 1 d D U P A 1
C12A C 0.39436(7) 0.52533(8) 0.93755(8) 0.0250(11) Uani 0.793(3) 1 d D U P A 1
C13A C 0.32868(7) 0.46736(8) 0.93282(8) 0.0280(12) Uani 0.793(3) 1 d D U P A 1
C14A C 0.24769(8) 0.48862(8) 0.90468(7) 0.0366(19) Uani 0.793(3) 1 d D U P A 1
C15A C 0.22895(7) 0.56897(7) 0.88025(4) 0.0326(15) Uani 0.793(3) 1 d D U P A 1
C16A C 0.29426(7) 0.62770(9) 0.88656(6) 0.0303(13) Uani 0.793(3) 1 d D U P A 1
C17A C 0.29692(7) 0.67912(11) 0.84251(5) 0.0314(13) Uani 0.793(3) 1 d D U P A 1
C18A C 0.23257(7) 0.67643(8) 0.79192(4) 0.0335(13) Uani 0.793(3) 1 d D U P A 1
C19A C 0.15813(8) 0.63459(8) 0.79139(4) 0.0313(13) Uani 0.793(3) 1 d D U P A 1
C20A C 0.15760(9) 0.57718(8) 0.83368(4) 0.0329(14) Uani 0.793(3) 1 d D U P A 1
C21A C 0.11449(9) 0.50555(7) 0.80849(4) 0.0308(13) Uani 0.793(3) 1 d D U P A 1
C22A C 0.08099(8) 0.52255(7) 0.75177(4) 0.0322(13) Uani 0.793(3) 1 d D U P A 1
C23A C 0.10761(8) 0.60204(8) 0.74129(4) 0.0334(13) Uani 0.793(3) 1 d D U P A 1
C24A C 0.13906(7) 0.59602(7) 0.69521(4) 0.0283(12) Uani 0.793(3) 1 d D U P A 1
C25A C 0.13218(7) 0.51288(6) 0.67697(4) 0.0301(13) Uani 0.793(3) 1 d D U P A 1
C26A C 0.09608(8) 0.46763(6) 0.71199(4) 0.0256(11) Uani 0.793(3) 1 d D U P A 1
C27A C 0.12440(8) 0.38692(8) 0.72843(5) 0.0331(14) Uani 0.793(3) 1 d D U P A 1
C28A C 0.17663(7) 0.34637(8) 0.70317(5) 0.0297(13) Uani 0.793(3) 1 d D U P A 1
C29A C 0.21105(5) 0.38928(7) 0.66549(6) 0.0250(11) Uani 0.793(3) 1 d D U P A 1
C30A C 0.19465(5) 0.47645(6) 0.65663(6) 0.0278(12) Uani 0.793(3) 1 d D U P A 1
C31A C 0.25824(6) 0.52959(6) 0.64717(6) 0.0264(11) Uani 0.793(3) 1 d D U P A 1
C32A C 0.33038(6) 0.49333(6) 0.63745(6) 0.0287(13) Uani 0.793(3) 1 d D U P A 1
C33A C 0.33782(6) 0.40547(7) 0.63586(6) 0.0292(12) Uani 0.793(3) 1 d D U P A 1
C34A C 0.28380(6) 0.35406(7) 0.65550(6) 0.0269(12) Uani 0.793(3) 1 d D U P A 1
C35A C 0.33315(6) 0.29906(7) 0.69477(5) 0.0358(14) Uani 0.793(3) 1 d D U P A 1
C36A C 0.41687(6) 0.31944(7) 0.70218(5) 0.0292(12) Uani 0.793(3) 1 d D U P A 1
C37A C 0.41972(6) 0.38409(7) 0.66445(6) 0.0316(12) Uani 0.793(3) 1 d D U P A 1
C38A C 0.46342(6) 0.45850(6) 0.68402(5) 0.0330(13) Uani 0.793(3) 1 d D U P A 1
C39A C 0.51934(7) 0.46137(7) 0.73850(4) 0.0308(13) Uani 0.793(3) 1 d D U P A 1
C40A C 0.52861(11) 0.38943(8) 0.77360(5) 0.0343(13) Uani 0.793(3) 1 d D U P A 1
C41A C 0.47244(7) 0.32111(7) 0.75695(4) 0.0307(13) Uani 0.793(3) 1 d D U P A 1
C42A C 0.44855(8) 0.27553(11) 0.79821(4) 0.0293(12) Uani 0.793(3) 1 d D U P A 1
C43A C 0.48294(7) 0.29342(7) 0.85372(4) 0.0284(12) Uani 0.793(3) 1 d D U P A 1
C44A C 0.42034(7) 0.29299(10) 0.87948(5) 0.0284(12) Uani 0.793(3) 1 d D U P A 1
C45A C 0.34826(7) 0.26720(11) 0.84091(5) 0.0314(13) Uani 0.793(3) 1 d D U P A 1
C46A C 0.36617(7) 0.25436(12) 0.79091(4) 0.0329(13) Uani 0.793(3) 1 d D U P A 1
C47A C 0.30625(7) 0.27222(11) 0.74030(5) 0.0329(14) Uani 0.793(3) 1 d D U P A 1
C48A C 0.22453(7) 0.29142(10) 0.74142(5) 0.0325(14) Uani 0.793(3) 1 d D U P A 1
C49A C 0.20697(8) 0.30415(11) 0.79145(5) 0.0347(14) Uani 0.793(3) 1 d D U P A 1
C50A C 0.27085(8) 0.29997(11) 0.84175(5) 0.0317(13) Uani 0.793(3) 1 d D U P A 1
C51A C 0.26791(8) 0.35533(9) 0.88536(6) 0.0266(12) Uani 0.793(3) 1 d D U P A 1
C52A C 0.20985(9) 0.41823(8) 0.87654(6) 0.0319(13) Uani 0.793(3) 1 d D U P A 1
C53A C 0.14794(8) 0.42537(6) 0.82508(4) 0.0332(13) Uani 0.793(3) 1 d D U P A 1
C54A C 0.14634(10) 0.36457(9) 0.78364(5) 0.0310(13) Uani 0.793(3) 1 d D U P A 1
C55A C 0.34011(8) 0.38425(8) 0.92185(7) 0.0270(12) Uani 0.793(3) 1 d D U P A 1
C56A C 0.41845(6) 0.35497(7) 0.91909(5) 0.0278(12) Uani 0.793(3) 1 d D U P A 1
C57A C 0.56873(7) 0.54875(6) 0.82028(4) 0.0321(13) Uani 0.793(3) 1 d D U P A 1
C58A C 0.52824(7) 0.61389(6) 0.83747(4) 0.0270(12) Uani 0.793(3) 1 d D U P A 1
C59A C 0.47723(8) 0.65112(10) 0.79066(4) 0.0289(12) Uani 0.793(3) 1 d D U P A 1
C60A C 0.48463(9) 0.60736(9) 0.74481(5) 0.0292(12) Uani 0.793(3) 1 d D U P A 1
C61A C 0.53751(10) 0.54091(8) 0.76338(5) 0.0318(13) Uani 0.793(3) 1 d D U P A 1
C62A C 0.40892(6) 0.52555(6) 0.66518(5) 0.0304(13) Uani 0.793(3) 1 d D U P A 1
C63A C 0.41550(8) 0.59842(9) 0.69753(6) 0.0292(12) Uani 0.793(3) 1 d D U P A 1
C64A C 0.34331(7) 0.64474(9) 0.69506(5) 0.0293(12) Uani 0.793(3) 1 d D U P A 1
C65A C 0.26564(6) 0.61207(8) 0.66809(6) 0.0306(13) Uani 0.793(3) 1 d D U P A 1
C66A C 0.20956(6) 0.64279(7) 0.69465(4) 0.0292(12) Uani 0.793(3) 1 d D U P A 1
C67A C 0.25351(6) 0.68615(8) 0.74157(4) 0.0289(12) Uani 0.793(3) 1 d D U P A 1
C68A C 0.33616(7) 0.68882(11) 0.74125(5) 0.0300(12) Uani 0.793(3) 1 d D U P A 1
C69A C 0.40014(7) 0.68524(12) 0.79143(5) 0.0282(12) Uani 0.793(3) 1 d D U P A 1
C70A C 0.37894(7) 0.68625(11) 0.84219(5) 0.0291(12) Uani 0.793(3) 1 d D U P A 1
Sc1B Sc 0.4507(4) 0.5180(8) 0.8464(3) 0.087(3) Uani 0.207(3) 1 d . U P A 2
Sc2B Sc 0.3514(4) 0.5313(6) 0.7207(2) 0.081(3) Uani 0.207(3) 1 d . U P A 2
Sc3B Sc 0.2190(5) 0.4701(8) 0.7770(3) 0.079(3) Uani 0.207(3) 1 d . U P A 2
N1B N 0.3390(18) 0.5071(14) 0.7941(11) 0.019(6) Uani 0.207(3) 1 d . U P A 2
C1B C 0.56130(7) 0.57331(7) 0.91217(5) 0.118(9) Uani 0.207(3) 1 d D U P A 2
C2B C 0.55297(7) 0.62109(7) 0.86420(4) 0.118(9) Uani 0.207(3) 1 d D U P A 2
C3B C 0.57130(8) 0.57047(7) 0.82376(4) 0.112(9) Uani 0.207(3) 1 d D U P A 2
C4B C 0.59125(7) 0.49131(6) 0.84718(4) 0.090(8) Uani 0.207(3) 1 d D U P A 2
C5B C 0.58497(7) 0.49292(6) 0.90160(5) 0.095(8) Uani 0.207(3) 1 d D U P A 2
C6B C 0.53254(7) 0.43616(6) 0.91742(4) 0.103(8) Uani 0.207(3) 1 d D U P A 2
C7B C 0.48012(6) 0.48157(6) 0.94149(5) 0.104(9) Uani 0.207(3) 1 d D U P A 2
C8B C 0.49426(7) 0.56667(7) 0.93484(5) 0.102(8) Uani 0.207(3) 1 d D U P A 2
C9B C 0.42602(6) 0.62153(7) 0.91682(5) 0.100(8) Uani 0.207(3) 1 d D U P A 2
C10B C 0.34842(7) 0.59468(8) 0.92183(6) 0.067(7) Uani 0.207(3) 1 d D U P A 2
C11B C 0.33554(7) 0.51200(7) 0.93355(7) 0.064(6) Uani 0.207(3) 1 d D U P A 2
C12B C 0.39918(7) 0.45231(8) 0.93713(9) 0.075(6) Uani 0.207(3) 1 d D U P A 2
C13B C 0.37709(7) 0.37120(9) 0.91506(7) 0.063(7) Uani 0.207(3) 1 d D U P A 2
C14B C 0.29496(8) 0.35162(9) 0.88876(7) 0.068(6) Uani 0.207(3) 1 d D U P A 2
C15B C 0.23137(7) 0.41234(7) 0.88362(4) 0.069(7) Uani 0.207(3) 1 d D U P A 2
C16B C 0.25324(7) 0.49249(7) 0.90727(7) 0.059(8) Uani 0.207(3) 1 d D U P A 2
C17B C 0.21563(8) 0.56340(8) 0.87931(6) 0.062(7) Uani 0.207(3) 1 d D U P A 2
C18B C 0.15236(8) 0.55632(7) 0.82842(4) 0.079(8) Uani 0.207(3) 1 d D U P A 2
C19B C 0.11628(9) 0.47692(7) 0.81320(4) 0.067(7) Uani 0.207(3) 1 d D U P A 2
C20B C 0.15815(9) 0.40475(7) 0.83836(4) 0.061(7) Uani 0.207(3) 1 d D U P A 2
C21B C 0.15473(8) 0.34571(7) 0.79625(4) 0.073(7) Uani 0.207(3) 1 d D U P A 2
C22B C 0.10334(8) 0.37804(7) 0.74646(4) 0.094(8) Uani 0.207(3) 1 d D U P A 2
C23B C 0.07945(9) 0.45865(7) 0.75693(4) 0.089(8) Uani 0.207(3) 1 d D U P A 2
C24B C 0.09356(8) 0.51184(7) 0.71608(4) 0.088(8) Uani 0.207(3) 1 d D U P A 2
C25B C 0.12629(7) 0.46455(6) 0.68019(4) 0.100(8) Uani 0.207(3) 1 d D U P A 2
C26B C 0.13210(7) 0.38177(7) 0.69904(4) 0.084(8) Uani 0.207(3) 1 d D U P A 2
C27B C 0.20097(7) 0.33358(9) 0.69754(5) 0.085(8) Uani 0.207(3) 1 d D U P A 2
C28B C 0.25529(7) 0.36148(8) 0.66912(5) 0.090(8) Uani 0.207(3) 1 d D U P A 2
C29B C 0.24862(6) 0.44357(6) 0.64722(6) 0.101(8) Uani 0.207(3) 1 d D U P A 2
C30B C 0.18783(5) 0.49850(6) 0.65788(6) 0.096(8) Uani 0.207(3) 1 d D U P A 2
C31B C 0.20669(6) 0.58584(7) 0.66588(6) 0.085(7) Uani 0.207(3) 1 d D U P A 2
C32B C 0.27875(6) 0.61837(7) 0.65390(6) 0.092(8) Uani 0.207(3) 1 d D U P A 2
C33B C 0.32989(6) 0.56487(7) 0.63299(6) 0.088(7) Uani 0.207(3) 1 d D U P A 2
C34B C 0.32053(6) 0.47742(6) 0.63527(6) 0.094(8) Uani 0.207(3) 1 d D U P A 2
C35B C 0.39896(6) 0.44361(6) 0.66175(6) 0.097(8) Uani 0.207(3) 1 d D U P A 2
C36B C 0.45545(6) 0.50947(6) 0.67896(5) 0.093(8) Uani 0.207(3) 1 d D U P A 2
C37B C 0.41293(6) 0.58464(7) 0.65974(6) 0.091(7) Uani 0.207(3) 1 d D U P A 2
C38B C 0.41371(6) 0.65034(7) 0.69744(5) 0.092(7) Uani 0.207(3) 1 d D U P A 2
C39B C 0.47149(7) 0.64872(7) 0.75130(4) 0.106(8) Uani 0.207(3) 1 d D U P A 2
C40B C 0.52645(11) 0.57896(8) 0.76734(5) 0.113(9) Uani 0.207(3) 1 d D U P A 2
C41B C 0.51366(7) 0.50656(7) 0.73279(5) 0.087(8) Uani 0.207(3) 1 d D U P A 2
C42B C 0.53094(10) 0.42715(8) 0.75806(5) 0.079(7) Uani 0.207(3) 1 d D U P A 2
C43B C 0.56447(7) 0.42014(6) 0.81476(4) 0.076(7) Uani 0.207(3) 1 d D U P A 2
C44B C 0.52363(9) 0.35679(9) 0.83357(5) 0.098(8) Uani 0.207(3) 1 d D U P A 2
C45B C 0.46992(8) 0.31935(10) 0.78776(5) 0.097(8) Uani 0.207(3) 1 d D U P A 2
C46B C 0.47594(9) 0.36160(9) 0.74086(5) 0.084(7) Uani 0.207(3) 1 d D U P A 2
C47B C 0.40538(8) 0.37159(9) 0.69494(6) 0.088(7) Uani 0.207(3) 1 d D U P A 2
C48B C 0.33229(7) 0.32748(9) 0.69459(5) 0.090(8) Uani 0.207(3) 1 d D U P A 2
C49B C 0.32661(7) 0.28539(11) 0.74150(5) 0.095(8) Uani 0.207(3) 1 d D U P A 2
C50B C 0.39301(8) 0.28769(12) 0.79053(5) 0.092(8) Uani 0.207(3) 1 d D U P A 2
C51B C 0.37455(7) 0.28967(12) 0.84237(5) 0.093(8) Uani 0.207(3) 1 d D U P A 2
C52B C 0.29412(8) 0.29933(11) 0.84463(6) 0.096(8) Uani 0.207(3) 1 d D U P A 2
C53B C 0.22736(7) 0.30131(7) 0.79536(4) 0.077(8) Uani 0.207(3) 1 d D U P A 2
C54B C 0.24576(7) 0.29081(11) 0.74393(5) 0.063(7) Uani 0.207(3) 1 d D U P A 2
C55B C 0.42613(7) 0.33093(10) 0.88702(6) 0.077(7) Uani 0.207(3) 1 d D U P A 2
C56B C 0.50138(7) 0.36710(6) 0.88337(5) 0.092(8) Uani 0.207(3) 1 d D U P A 2
C57B C 0.48806(7) 0.67908(7) 0.84863(4) 0.118(9) Uani 0.207(3) 1 d D U P A 2
C58B C 0.42767(6) 0.68227(7) 0.87615(4) 0.109(9) Uani 0.207(3) 1 d D U P A 2
C59B C 0.35502(7) 0.70866(11) 0.83870(5) 0.104(9) Uani 0.207(3) 1 d D U P A 2
C60B C 0.37022(7) 0.71939(12) 0.78778(5) 0.108(8) Uani 0.207(3) 1 d D U P A 2
C61B C 0.45134(8) 0.69620(11) 0.79317(4) 0.107(8) Uani 0.207(3) 1 d D U P A 2
C62B C 0.33095(6) 0.67302(7) 0.69183(5) 0.105(8) Uani 0.207(3) 1 d D U P A 2
C63B C 0.30747(7) 0.70220(11) 0.73813(5) 0.113(9) Uani 0.207(3) 1 d D U P A 2
C64B C 0.22657(7) 0.68592(10) 0.74137(5) 0.096(8) Uani 0.207(3) 1 d D U P A 2
C65B C 0.17550(7) 0.63097(8) 0.70409(5) 0.088(8) Uani 0.207(3) 1 d D U P A 2
C66B C 0.12370(7) 0.59273(6) 0.73117(4) 0.084(8) Uani 0.207(3) 1 d D U P A 2
C67B C 0.14885(7) 0.61630(6) 0.78656(4) 0.092(8) Uani 0.207(3) 1 d D U P A 2
C68B C 0.21150(8) 0.67533(10) 0.79268(5) 0.077(7) Uani 0.207(3) 1 d D U P A 2
C69B C 0.27763(8) 0.67819(11) 0.84174(5) 0.083(8) Uani 0.207(3) 1 d D U P A 2
C70B C 0.27545(7) 0.62504(9) 0.88640(6) 0.061(7) Uani 0.207(3) 1 d D U P A 2
C1S C 0.9165(5) 0.0037(3) 0.4916(3) 0.0616(19) Uani 1 1 d . . . B 3
H1S H 0.859392 0.005627 0.485459 0.074 Uiso 1 1 calc R U . B 3
C2S C 0.9652(5) -0.0220(4) 0.5402(3) 0.0656(19) Uani 1 1 d . . . B 3
H2S H 0.941880 -0.036483 0.568251 0.079 Uiso 1 1 calc R U . B 3
C3S C 0.9514(6) 0.0273(4) 0.4507(3) 0.071(2) Uani 1 1 d . . . B 3
H3S H 0.918137 0.046709 0.417054 0.086 Uiso 1 1 calc R U . B 3
C4S C 0.7039(3) 0.4717(3) 0.7144(3) 0.0496(15) Uani 1 1 d . . . C 3
C5S C 0.6768(3) 0.5468(4) 0.6919(3) 0.0489(14) Uani 1 1 d . . . C 3
H5S H 0.695902 0.595494 0.711219 0.059 Uiso 1 1 calc R U . C 3
C6S C 0.6201(4) 0.5502(3) 0.6396(3) 0.0494(14) Uani 1 1 d . . . C 3
H6S H 0.600789 0.601373 0.623916 0.059 Uiso 1 1 calc R U . C 3
C7S C 0.5935(4) 0.4797(3) 0.6120(2) 0.0454(14) Uani 1 1 d . . . C 3
H7S H 0.555836 0.482247 0.577076 0.054 Uiso 1 1 calc R U . C 3
C8S C 0.6210(3) 0.4046(3) 0.6344(2) 0.0455(13) Uani 1 1 d . . . C 3
H8S H 0.601993 0.355803 0.615247 0.055 Uiso 1 1 calc R U . C 3
C9S C 0.6770(3) 0.4017(3) 0.6856(3) 0.0467(13) Uani 1 1 d . . . C 3
H9S H 0.696735 0.350460 0.700852 0.056 Uiso 1 1 calc R U . C 3
C10S C 0.7627(5) 0.4687(5) 0.7725(3) 0.071(2) Uani 1 1 d . . . C 3
H10A H 0.754391 0.516920 0.792706 0.106 Uiso 1 1 calc R U . C 3
H10B H 0.818738 0.467752 0.770471 0.106 Uiso 1 1 calc R U . C 3
H10C H 0.752041 0.419509 0.790928 0.106 Uiso 1 1 calc R U . C 3
Ni1P Ni 0.08625(3) 0.47974(3) 0.54963(2) 0.0129(2) Uani 0.8896(16) 1 d D . P D
4
N1P N 0.01713(8) 0.56047(8) 0.57072(7) 0.0148(7) Uani 0.8896(16) 1 d D . P D 4
N2P N 0.15079(8) 0.56681(8) 0.53041(7) 0.0178(7) Uani 0.8896(16) 1 d D . P D 4
N3P N 0.15722(8) 0.39848(8) 0.53094(8) 0.0162(7) Uani 0.8896(16) 1 d D . P D 4
N4P N 0.02578(9) 0.39228(8) 0.57303(8) 0.0161(7) Uani 0.8896(16) 1 d D . P D 4
C1P C -0.04669(10) 0.54781(8) 0.59291(9) 0.0146(8) Uani 0.8896(16) 1 d D . P D
4
C2P C -0.07969(10) 0.62359(9) 0.60550(8) 0.0172(8) Uani 0.8896(16) 1 d D . P D
4
C3P C -0.03680(10) 0.68383(9) 0.59116(8) 0.0182(9) Uani 0.8896(16) 1 d D . P D
4
C4P C 0.02323(9) 0.64519(9) 0.56905(8) 0.0160(8) Uani 0.8896(16) 1 d D . P D 4
C5P C 0.07970(10) 0.68651(12) 0.55104(8) 0.0183(9) Uani 0.8896(16) 1 d D . P D
4
H5P H 0.076962 0.744303 0.550436 0.022 Uiso 0.8896(16) 1 calc R U P D 4
C6P C 0.14002(9) 0.65044(9) 0.53378(8) 0.0177(8) Uani 0.8896(16) 1 d D . P D 4
C7P C 0.20231(10) 0.69474(9) 0.51870(9) 0.0253(10) Uani 0.8896(16) 1 d D . P D
4
C8P C 0.25229(9) 0.63869(9) 0.50543(9) 0.0246(10) Uani 0.8896(16) 1 d D . P D 4
C9P C 0.21873(10) 0.55993(8) 0.51201(9) 0.0186(9) Uani 0.8896(16) 1 d D . P D 4
C10P C 0.25187(13) 0.48629(9) 0.50202(11) 0.0204(9) Uani 0.8896(16) 1 d D . P D
4
H10P H 0.297142 0.488299 0.487780 0.024 Uiso 0.8896(16) 1 calc R U P D 4
C11P C 0.22388(10) 0.41104(8) 0.51126(9) 0.0171(8) Uani 0.8896(16) 1 d D . P D
4
C12P C 0.26062(10) 0.33478(9) 0.50328(9) 0.0209(9) Uani 0.8896(16) 1 d D . P D
4
C13P C 0.21726(10) 0.27460(9) 0.51834(9) 0.0199(9) Uani 0.8896(16) 1 d D . P D
4
C14P C 0.15350(10) 0.31435(9) 0.53539(9) 0.0176(8) Uani 0.8896(16) 1 d D . P D
4
C15P C 0.09765(10) 0.27313(12) 0.55422(9) 0.0173(8) Uani 0.8896(16) 1 d D . P D
4
H15P H 0.100042 0.215326 0.554583 0.021 Uiso 0.8896(16) 1 calc R U P D 4
C16P C 0.03862(10) 0.30931(9) 0.57257(8) 0.0174(8) Uani 0.8896(16) 1 d D . P D
4
C17P C -0.01759(11) 0.26499(9) 0.59463(9) 0.0184(9) Uani 0.8896(16) 1 d D . P D
4
C18P C -0.06543(10) 0.32146(9) 0.60845(7) 0.0178(8) Uani 0.8896(16) 1 d D . P D
4
C19P C -0.03916(11) 0.40010(8) 0.59479(9) 0.0143(8) Uani 0.8896(16) 1 d D . P D
4
C20P C -0.07317(13) 0.47229(9) 0.60321(11) 0.0183(9) Uani 0.8896(16) 1 d D . P
D 4
H20P H -0.118611 0.470059 0.617271 0.022 Uiso 0.8896(16) 1 calc R U P D 4
C21P C -0.14668(12) 0.6301(2) 0.63243(8) 0.0208(9) Uani 0.8896(16) 1 d D . P D
4
H21A H -0.187698 0.587523 0.617693 0.025 Uiso 0.8896(16) 1 calc R U P D 4
H21B H -0.173424 0.683784 0.623858 0.025 Uiso 0.8896(16) 1 calc R U P D 4
C22P C -0.1155(2) 0.6205(3) 0.69402(9) 0.0231(10) Uani 0.8896(16) 1 d D . P D 4
H22A H -0.090527 0.566681 0.702737 0.035 Uiso 0.8896(16) 1 calc R U P D 4
H22B H -0.160786 0.625803 0.709858 0.035 Uiso 0.8896(16) 1 calc R U P D 4
H22C H -0.075137 0.662776 0.708843 0.035 Uiso 0.8896(16) 1 calc R U P D 4
C23P C -0.04243(18) 0.77414(10) 0.59833(11) 0.0205(9) Uani 0.8896(16) 1 d D . P
D 4
H23A H -0.097875 0.788001 0.599616 0.025 Uiso 0.8896(16) 1 calc R U P D 4
H23B H -0.032792 0.802217 0.566684 0.025 Uiso 0.8896(16) 1 calc R U P D 4
C24P C 0.0189(2) 0.80518(18) 0.65013(13) 0.0276(10) Uani 0.8896(16) 1 d D . P D
4
H24A H 0.074038 0.794939 0.647996 0.041 Uiso 0.8896(16) 1 calc R U P D 4
H24B H 0.010521 0.776595 0.681536 0.041 Uiso 0.8896(16) 1 calc R U P D 4
H24C H 0.011227 0.863792 0.653909 0.041 Uiso 0.8896(16) 1 calc R U P D 4
C25P C 0.2108(2) 0.78618(10) 0.52084(11) 0.0329(11) Uani 0.8896(16) 1 d D . P D
4
H25A H 0.157388 0.811227 0.503718 0.039 Uiso 0.8896(16) 1 calc R U P D 4
H25B H 0.248340 0.802978 0.499874 0.039 Uiso 0.8896(16) 1 calc R U P D 4
C26P C 0.2431(3) 0.8178(2) 0.57940(12) 0.0411(13) Uani 0.8896(16) 1 d D . P D 4
H26A H 0.248356 0.877251 0.578975 0.062 Uiso 0.8896(16) 1 calc R U P D 4
H26B H 0.296162 0.793505 0.596427 0.062 Uiso 0.8896(16) 1 calc R U P D 4
H26C H 0.205196 0.802888 0.599995 0.062 Uiso 0.8896(16) 1 calc R U P D 4
C27P C 0.32993(11) 0.6522(2) 0.49102(11) 0.0369(13) Uani 0.8896(16) 1 d D . P D
4
H27A H 0.329529 0.707476 0.475628 0.044 Uiso 0.8896(16) 1 calc R U P D 4
H27B H 0.333605 0.612411 0.462906 0.044 Uiso 0.8896(16) 1 calc R U P D 4
C28P C 0.40467(15) 0.6432(4) 0.54017(17) 0.0523(17) Uani 0.8896(16) 1 d D . P D
4
H28A H 0.453870 0.651867 0.528851 0.078 Uiso 0.8896(16) 1 calc R U P D 4
H28B H 0.405634 0.588314 0.555342 0.078 Uiso 0.8896(16) 1 calc R U P D 4
H28C H 0.402163 0.683564 0.567667 0.078 Uiso 0.8896(16) 1 calc R U P D 4
C29P C 0.33487(11) 0.3256(2) 0.48400(10) 0.0266(10) Uani 0.8896(16) 1 d D . P D
4
H29A H 0.341429 0.375162 0.463725 0.032 Uiso 0.8896(16) 1 calc R U P D 4
H29B H 0.327224 0.278853 0.458803 0.032 Uiso 0.8896(16) 1 calc R U P D 4
C30P C 0.41156(15) 0.3124(5) 0.52999(18) 0.070(3) Uani 0.8896(16) 1 d D . P D 4
H30A H 0.456675 0.299888 0.515042 0.105 Uiso 0.8896(16) 1 calc R U P D 4
H30B H 0.403444 0.266852 0.552520 0.105 Uiso 0.8896(16) 1 calc R U P D 4
H30C H 0.424014 0.361855 0.552065 0.105 Uiso 0.8896(16) 1 calc R U P D 4
C31P C 0.2315(2) 0.18392(10) 0.52014(11) 0.0240(10) Uani 0.8896(16) 1 d D . P D
4
H31A H 0.269330 0.170827 0.498606 0.029 Uiso 0.8896(16) 1 calc R U P D 4
H31B H 0.179537 0.156078 0.503073 0.029 Uiso 0.8896(16) 1 calc R U P D 4
C32P C 0.2665(3) 0.15062(19) 0.57792(12) 0.0325(12) Uani 0.8896(16) 1 d D . P D
4
H32A H 0.277702 0.092300 0.576271 0.049 Uiso 0.8896(16) 1 calc R U P D 4
H32B H 0.227277 0.158950 0.598599 0.049 Uiso 0.8896(16) 1 calc R U P D 4
H32C H 0.316909 0.179422 0.595661 0.049 Uiso 0.8896(16) 1 calc R U P D 4
C33P C -0.01753(19) 0.17383(10) 0.60172(12) 0.0238(10) Uani 0.8896(16) 1 d D .
P D 4
H33A H -0.002843 0.147614 0.571165 0.029 Uiso 0.8896(16) 1 calc R U P D 4
H33B H -0.072847 0.155721 0.600687 0.029 Uiso 0.8896(16) 1 calc R U P D 4
C34P C 0.0418(3) 0.14584(19) 0.65502(13) 0.0333(12) Uani 0.8896(16) 1 d D . P D
4
H34A H 0.097010 0.161536 0.655609 0.050 Uiso 0.8896(16) 1 calc R U P D 4
H34B H 0.038777 0.086503 0.658082 0.050 Uiso 0.8896(16) 1 calc R U P D 4
H34C H 0.027546 0.171567 0.685440 0.050 Uiso 0.8896(16) 1 calc R U P D 4
C35P C -0.13132(12) 0.31071(19) 0.63609(8) 0.0220(9) Uani 0.8896(16) 1 d D . P
D 4
H35A H -0.150963 0.253763 0.631511 0.026 Uiso 0.8896(16) 1 calc R U P D 4
H35B H -0.177436 0.346808 0.618789 0.026 Uiso 0.8896(16) 1 calc R U P D 4
C36P C -0.1006(2) 0.3308(3) 0.69705(9) 0.0269(10) Uani 0.8896(16) 1 d D . P D 4
H36A H -0.082052 0.387515 0.701678 0.040 Uiso 0.8896(16) 1 calc R U P D 4
H36B H -0.055531 0.294555 0.714385 0.040 Uiso 0.8896(16) 1 calc R U P D 4
H36C H -0.144709 0.323237 0.713768 0.040 Uiso 0.8896(16) 1 calc R U P D 4
Ni1Q Ni 0.08775(6) 0.51800(4) 0.54907(5) 0.0129(2) Uani 0.1104(16) 1 d D . P D
5
N1Q N 0.02356(9) 0.60151(8) 0.57231(8) 0.0204(16) Uani 0.1104(16) 1 d D U P D 5
N2Q N 0.15612(9) 0.60226(8) 0.53076(9) 0.0207(16) Uani 0.1104(16) 1 d D U P D 5
N3Q N 0.15398(9) 0.43383(8) 0.52837(8) 0.0210(16) Uani 0.1104(16) 1 d D U P D 5
N4Q N 0.02332(9) 0.43309(8) 0.57136(9) 0.0207(16) Uani 0.1104(16) 1 d D U P D 5
C1Q C -0.04019(11) 0.59146(8) 0.59493(10) 0.0205(16) Uani 0.1104(16) 1 d D U P
D 5
C2Q C -0.06885(10) 0.66844(9) 0.60923(8) 0.0206(16) Uani 0.1104(16) 1 d D U P D
5
C3Q C -0.02391(11) 0.72689(9) 0.59500(9) 0.0207(16) Uani 0.1104(16) 1 d D U P D
5
C4Q C 0.03400(10) 0.68584(9) 0.57212(9) 0.0206(16) Uani 0.1104(16) 1 d D U P D
5
C5Q C 0.09233(10) 0.72475(12) 0.55462(10) 0.0207(16) Uani 0.1104(16) 1 d D U P
D 5
H5Q H 0.092784 0.782595 0.555265 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C6Q C 0.15024(10) 0.68618(9) 0.53619(10) 0.0208(16) Uani 0.1104(16) 1 d D U P D
5
C7Q C 0.21109(11) 0.72799(9) 0.51801(10) 0.0209(16) Uani 0.1104(16) 1 d D U P D
5
C8Q C 0.25621(9) 0.67001(10) 0.50171(10) 0.0209(16) Uani 0.1104(16) 1 d D U P D
5
C9Q C 0.22195(11) 0.59257(8) 0.51045(11) 0.0208(16) Uani 0.1104(16) 1 d D U P D
5
C10Q C 0.25165(14) 0.51760(9) 0.49956(13) 0.0209(16) Uani 0.1104(16) 1 d D U P
D 5
H10Q H 0.296215 0.517704 0.484589 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C11Q C 0.22119(11) 0.44359(8) 0.50888(10) 0.0210(16) Uani 0.1104(16) 1 d D U P
D 5
C12Q C 0.25608(10) 0.36591(9) 0.50174(11) 0.0211(16) Uani 0.1104(16) 1 d D U P
D 5
C13Q C 0.20930(11) 0.30757(9) 0.51530(11) 0.0213(16) Uani 0.1104(16) 1 d D U P
D 5
C14Q C 0.14630(10) 0.34991(9) 0.53168(9) 0.0210(16) Uani 0.1104(16) 1 d D U P D
5
C15Q C 0.08815(10) 0.31105(12) 0.54955(10) 0.0209(16) Uani 0.1104(16) 1 d D U P
D 5
H15Q H 0.087168 0.253221 0.548461 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C16Q C 0.03133(10) 0.34962(9) 0.56885(9) 0.0208(16) Uani 0.1104(16) 1 d D U P D
5
C17Q C -0.02671(11) 0.30760(9) 0.59049(10) 0.0209(16) Uani 0.1104(16) 1 d D U P
D 5
C18Q C -0.07143(10) 0.36599(9) 0.60553(8) 0.0207(16) Uani 0.1104(16) 1 d D U P
D 5
C19Q C -0.04064(11) 0.44356(8) 0.59377(11) 0.0207(16) Uani 0.1104(16) 1 d D U P
D 5
C20Q C -0.07034(15) 0.51711(9) 0.60406(14) 0.0206(16) Uani 0.1104(16) 1 d D U P
D 5
H20Q H -0.115291 0.516775 0.618656 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C21Q C -0.13402(13) 0.6776(2) 0.63753(9) 0.0206(17) Uani 0.1104(16) 1 d D U P D
5
H21C H -0.177929 0.638073 0.622111 0.025 Uiso 0.1104(16) 1 calc R U P D 5
H21D H -0.157330 0.733015 0.630890 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C22Q C -0.1018(3) 0.6635(11) 0.69868(10) 0.021(2) Uani 0.1104(16) 1 d D U P D 5
H22D H -0.099188 0.604890 0.706164 0.031 Uiso 0.1104(16) 1 calc R U P D 5
H22E H -0.138024 0.689539 0.717009 0.031 Uiso 0.1104(16) 1 calc R U P D 5
H22F H -0.047414 0.687064 0.711973 0.031 Uiso 0.1104(16) 1 calc R U P D 5
C23Q C -0.0257(2) 0.81736(10) 0.60290(14) 0.0209(17) Uani 0.1104(16) 1 d D U P
D 5
H23C H -0.080166 0.833363 0.605222 0.025 Uiso 0.1104(16) 1 calc R U P D 5
H23D H -0.016295 0.845031 0.571065 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C24Q C 0.0382(4) 0.8460(2) 0.65423(17) 0.021(2) Uani 0.1104(16) 1 d D U P D 5
H24D H 0.015458 0.843763 0.685076 0.032 Uiso 0.1104(16) 1 calc R U P D 5
H24E H 0.054192 0.902070 0.649184 0.032 Uiso 0.1104(16) 1 calc R U P D 5
H24F H 0.085774 0.810410 0.661158 0.032 Uiso 0.1104(16) 1 calc R U P D 5
C25Q C 0.2232(2) 0.81902(11) 0.52030(13) 0.0212(18) Uani 0.1104(16) 1 d D U P D
5
H25C H 0.170560 0.846108 0.504034 0.025 Uiso 0.1104(16) 1 calc R U P D 5
H25D H 0.260298 0.834038 0.498606 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C26Q C 0.2587(10) 0.8499(2) 0.57881(14) 0.022(2) Uani 0.1104(16) 1 d D U P D 5
H26D H 0.214378 0.864615 0.594021 0.033 Uiso 0.1104(16) 1 calc R U P D 5
H26E H 0.292632 0.897753 0.578728 0.033 Uiso 0.1104(16) 1 calc R U P D 5
H26F H 0.291507 0.806797 0.600832 0.033 Uiso 0.1104(16) 1 calc R U P D 5
C27Q C 0.33026(12) 0.6805(2) 0.48254(12) 0.0211(17) Uani 0.1104(16) 1 d D U P D
5
H27C H 0.321076 0.725655 0.456005 0.025 Uiso 0.1104(16) 1 calc R U P D 5
H27D H 0.339382 0.630191 0.463929 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C28Q C 0.40620(16) 0.6990(8) 0.5293(2) 0.021(2) Uani 0.1104(16) 1 d D U P D 5
H28D H 0.438026 0.741612 0.518092 0.032 Uiso 0.1104(16) 1 calc R U P D 5
H28E H 0.439034 0.649524 0.538624 0.032 Uiso 0.1104(16) 1 calc R U P D 5
H28F H 0.389978 0.717630 0.560832 0.032 Uiso 0.1104(16) 1 calc R U P D 5
C29Q C 0.32866(12) 0.3536(2) 0.48107(12) 0.0213(18) Uani 0.1104(16) 1 d D U P D
5
H29C H 0.322981 0.388187 0.448720 0.026 Uiso 0.1104(16) 1 calc R U P D 5
H29D H 0.330236 0.296103 0.469830 0.026 Uiso 0.1104(16) 1 calc R U P D 5
C30Q C 0.40803(15) 0.3741(9) 0.5229(3) 0.021(2) Uani 0.1104(16) 1 d D U P D 5
H30D H 0.452692 0.369830 0.506391 0.032 Uiso 0.1104(16) 1 calc R U P D 5
H30E H 0.417057 0.335971 0.553310 0.032 Uiso 0.1104(16) 1 calc R U P D 5
H30F H 0.405500 0.429804 0.536057 0.032 Uiso 0.1104(16) 1 calc R U P D 5
C31Q C 0.21955(19) 0.21635(10) 0.51624(14) 0.0214(18) Uani 0.1104(16) 1 d D U P
D 5
H31C H 0.243598 0.200317 0.487055 0.026 Uiso 0.1104(16) 1 calc R U P D 5
H31D H 0.165506 0.190489 0.508597 0.026 Uiso 0.1104(16) 1 calc R U P D 5
C32Q C 0.2735(5) 0.1839(2) 0.57056(17) 0.022(2) Uani 0.1104(16) 1 d D U P D 5
H32D H 0.328539 0.205265 0.576861 0.033 Uiso 0.1104(16) 1 calc R U P D 5
H32E H 0.274822 0.124239 0.569482 0.033 Uiso 0.1104(16) 1 calc R U P D 5
H32F H 0.251369 0.201436 0.599907 0.033 Uiso 0.1104(16) 1 calc R U P D 5
C33Q C -0.0311(2) 0.21643(10) 0.59614(14) 0.0211(17) Uani 0.1104(16) 1 d D U P
D 5
H33C H -0.016198 0.190055 0.565700 0.025 Uiso 0.1104(16) 1 calc R U P D 5
H33D H -0.087521 0.200748 0.593830 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C34Q C 0.0251(5) 0.1851(2) 0.64964(16) 0.022(2) Uani 0.1104(16) 1 d D U P D 5
H34D H 0.081676 0.193413 0.649895 0.033 Uiso 0.1104(16) 1 calc R U P D 5
H34E H 0.015312 0.126929 0.653413 0.033 Uiso 0.1104(16) 1 calc R U P D 5
H34F H 0.014406 0.215011 0.679839 0.033 Uiso 0.1104(16) 1 calc R U P D 5
C35Q C -0.13812(13) 0.3578(2) 0.63271(9) 0.0206(17) Uani 0.1104(16) 1 d D U P D
5
H35C H -0.162213 0.302700 0.625688 0.025 Uiso 0.1104(16) 1 calc R U P D 5
H35D H -0.181195 0.398018 0.617037 0.025 Uiso 0.1104(16) 1 calc R U P D 5
C36Q C -0.1061(3) 0.3715(12) 0.69441(10) 0.020(2) Uani 0.1104(16) 1 d D U P D 5
H36D H -0.142850 0.345605 0.712436 0.031 Uiso 0.1104(16) 1 calc R U P D 5
H36E H -0.103273 0.430078 0.702059 0.031 Uiso 0.1104(16) 1 calc R U P D 5
H36F H -0.051981 0.347588 0.707869 0.031 Uiso 0.1104(16) 1 calc R U P D 5


_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 N1A 2.038(6) . ?
Sc1A C8A 2.3314(16) . ?
Sc1A C6A 2.3453(16) . ?
Sc1A C1A 2.3608(17) . ?
Sc1A C5A 2.3733(17) . ?
Sc1A C7A 2.3998(16) . ?
Sc1A C2A 2.4336(17) . ?
Sc1A C4A 2.4546(16) . ?
Sc1A C3A 2.4973(18) . ?
Sc1A C9A 2.6242(16) . ?
Sc1A C56A 2.6571(16) . ?
Sc1A C57A 2.7727(17) . ?
Sc2A N1A 1.975(7) . ?
Sc2A C33A 2.2776(18) . ?
Sc2A C37A 2.2919(18) . ?
Sc2A C32A 2.3314(17) . ?
Sc2A C34A 2.3381(17) . ?
Sc2A C38A 2.3509(17) . ?
Sc2A C36A 2.3550(16) . ?
Sc2A C62A 2.4193(16) . ?
Sc2A C35A 2.4253(16) . ?
Sc2A C31A 2.6814(16) . ?
Sc2A C29A 2.6863(17) . ?
Sc2A C39A 2.7182(16) . ?
Sc3A N1A 2.057(7) . ?
Sc3A C21A 2.3170(19) . ?
Sc3A C19A 2.3430(19) . ?
Sc3A C22A 2.3563(18) . ?
Sc3A C23A 2.3744(18) . ?
Sc3A C20A 2.3888(19) . ?
Sc3A C26A 2.4459(18) . ?
Sc3A C24A 2.4729(18) . ?
Sc3A C25A 2.5227(17) . ?
Sc3A C53A 2.6038(18) . ?
Sc3A C18A 2.6520(18) . ?
Sc3A C27A 2.776(2) . ?
C1A C5A 1.4300(14) . ?
C1A C8A 1.4356(15) . ?
C1A C2A 1.4362(14) . ?
C2A C3A 1.4350(14) . ?
C2A C57A 1.4360(15) . ?
C3A C4A 1.4334(14) . ?
C3A C40A 1.4472(15) . ?
C4A C43A 1.4347(14) . ?
C4A C5A 1.4357(14) . ?
C5A C6A 1.4334(15) . ?
C6A C7A 1.4377(14) . ?
C6A C56A 1.4414(14) . ?
C7A C8A 1.4368(14) . ?
C7A C12A 1.4471(16) . ?
C8A C9A 1.4485(14) . ?
C9A C10A 1.4454(17) . ?
C9A C58A 1.4521(16) . ?
C10A C70A 1.4185(16) . ?
C10A C11A 1.4215(17) . ?
C11A C16A 1.4232(16) . ?
C11A C12A 1.4528(18) . ?
C12A C13A 1.4559(18) . ?
C13A C55A 1.4186(19) . ?
C13A C14A 1.4210(17) . ?
C14A C52A 1.4211(19) . ?
C14A C15A 1.4581(18) . ?
C15A C16A 1.4544(17) . ?
C15A C20A 1.4610(16) . ?
C16A C17A 1.4250(17) . ?
C17A C70A 1.4180(16) . ?
C17A C18A 1.4535(17) . ?
C18A C67A 1.4488(15) . ?
C18A C19A 1.4497(16) . ?
C19A C23A 1.4402(14) . ?
C19A C20A 1.4423(14) . ?
C20A C21A 1.4434(14) . ?
C21A C22A 1.4384(14) . ?
C21A C53A 1.4521(16) . ?
C22A C23A 1.4338(15) . ?
C22A C26A 1.4421(15) . ?
C23A C24A 1.4393(15) . ?
C24A C25A 1.4376(14) . ?
C24A C66A 1.4388(15) . ?
C25A C26A 1.4374(14) . ?
C25A C30A 1.4503(17) . ?
C26A C27A 1.4340(17) . ?
C27A C54A 1.4128(16) . ?
C27A C28A 1.4152(17) . ?
C28A C48A 1.4166(16) . ?
C28A C29A 1.4532(18) . ?
C29A C30A 1.4643(15) . ?
C29A C34A 1.4655(16) . ?
C30A C31A 1.4720(15) . ?
C31A C65A 1.4497(17) . ?
C31A C32A 1.4601(16) . ?
C32A C62A 1.4393(14) . ?
C32A C33A 1.4498(15) . ?
C33A C37A 1.4374(14) . ?
C33A C34A 1.4478(14) . ?
C34A C35A 1.4406(14) . ?
C35A C36A 1.4379(13) . ?
C35A C47A 1.4450(18) . ?
C36A C37A 1.4491(15) . ?
C36A C41A 1.4645(16) . ?
C37A C38A 1.4487(15) . ?
C38A C62A 1.4387(13) . ?
C38A C39A 1.4617(16) . ?
C39A C61A 1.4495(17) . ?
C39A C40A 1.4685(17) . ?
C40A C41A 1.4639(17) . ?
C41A C42A 1.4502(17) . ?
C42A C43A 1.4155(14) . ?
C42A C46A 1.4191(16) . ?
C43A C44A 1.4146(16) . ?
C44A C45A 1.4177(15) . ?
C44A C56A 1.4478(18) . ?
C45A C46A 1.4214(16) . ?
C45A C50A 1.4418(19) . ?
C46A C47A 1.4460(17) . ?
C47A C48A 1.4487(18) . ?
C48A C49A 1.4188(17) . ?
C49A C54A 1.4122(17) . ?
C49A C50A 1.4452(17) . ?
C50A C51A 1.457(2) . ?
C51A C52A 1.4100(18) . ?
C51A C55A 1.4121(18) . ?
C52A C53A 1.4524(17) . ?
C53A C54A 1.4559(17) . ?
C55A C56A 1.4510(17) . ?
C57A C58A 1.4136(15) . ?
C57A C61A 1.4176(14) . ?
C58A C59A 1.4147(14) . ?
C59A C60A 1.4182(16) . ?
C59A C69A 1.4448(18) . ?
C60A C61A 1.4149(16) . ?
C60A C63A 1.4501(17) . ?
C62A C63A 1.4440(18) . ?
C63A C64A 1.4422(18) . ?
C64A C65A 1.4258(16) . ?
C64A C68A 1.4268(16) . ?
C65A C66A 1.4226(16) . ?
C66A C67A 1.4227(13) . ?
C67A C68A 1.4246(15) . ?
C68A C69A 1.4435(16) . ?
C69A C70A 1.4524(19) . ?
Sc1B N1B 2.02(3) . ?
Sc1B C8B 2.330(9) . ?
Sc1B C1B 2.345(9) . ?
Sc1B C5B 2.382(7) . ?
Sc1B C6B 2.384(9) . ?
Sc1B C2B 2.390(10) . ?
Sc1B C7B 2.432(8) . ?
Sc1B C4B 2.451(8) . ?
Sc1B C3B 2.462(8) . ?
Sc1B C9B 2.607(11) . ?
Sc1B C56B 2.709(12) . ?
Sc1B C57B 2.718(12) . ?
Sc2B N1B 2.00(3) . ?
Sc2B C33B 2.252(5) . ?
Sc2B C34B 2.291(8) . ?
Sc2B C37B 2.300(6) . ?
Sc2B C32B 2.314(7) . ?
Sc2B C36B 2.361(6) . ?
Sc2B C38B 2.386(9) . ?
Sc2B C35B 2.398(8) . ?
Sc2B C62B 2.438(9) . ?
Sc2B C29B 2.626(9) . ?
Sc2B C31B 2.648(6) . ?
Sc2B C41B 2.751(6) . ?
Sc3B N1B 2.08(3) . ?
Sc3B C19B 2.220(9) . ?
Sc3B C23B 2.316(8) . ?
Sc3B C20B 2.381(8) . ?
Sc3B C24B 2.384(8) . ?
Sc3B C18B 2.434(11) . ?
Sc3B C21B 2.438(10) . ?
Sc3B C22B 2.445(9) . ?
Sc3B C25B 2.556(8) . ?
Sc3B C26B 2.585(10) . ?
Sc3B C66B 2.655(11) . ?
Sc3B C67B 2.729(12) . ?
C1B C5B 1.4300(14) . ?
C1B C8B 1.4356(15) . ?
C1B C2B 1.4362(14) . ?
C2B C3B 1.4350(14) . ?
C2B C57B 1.4360(15) . ?
C3B C4B 1.4334(14) . ?
C3B C40B 1.4472(15) . ?
C4B C43B 1.4348(14) . ?
C4B C5B 1.4357(14) . ?
C5B C6B 1.4334(15) . ?
C6B C7B 1.4377(14) . ?
C6B C56B 1.4414(14) . ?
C7B C8B 1.4368(14) . ?
C7B C12B 1.4471(16) . ?
C8B C9B 1.4485(14) . ?
C9B C10B 1.4454(17) . ?
C9B C58B 1.4521(16) . ?
C10B C70B 1.4185(16) . ?
C10B C11B 1.4215(17) . ?
C11B C16B 1.4232(16) . ?
C11B C12B 1.4528(18) . ?
C12B C13B 1.4559(18) . ?
C13B C55B 1.4186(19) . ?
C13B C14B 1.4211(17) . ?
C14B C52B 1.4211(19) . ?
C14B C15B 1.4581(18) . ?
C15B C16B 1.4544(17) . ?
C15B C20B 1.4610(16) . ?
C16B C17B 1.4250(17) . ?
C17B C70B 1.4180(16) . ?
C17B C18B 1.4535(17) . ?
C18B C67B 1.4488(15) . ?
C18B C19B 1.4497(16) . ?
C19B C23B 1.4402(14) . ?
C19B C20B 1.4423(14) . ?
C20B C21B 1.4434(14) . ?
C21B C22B 1.4384(14) . ?
C21B C53B 1.4521(16) . ?
C22B C23B 1.4338(15) . ?
C22B C26B 1.4421(15) . ?
C23B C24B 1.4393(15) . ?
C24B C25B 1.4376(14) . ?
C24B C66B 1.4388(15) . ?
C25B C26B 1.4374(14) . ?
C25B C30B 1.4503(17) . ?
C26B C27B 1.4340(17) . ?
C27B C54B 1.4128(16) . ?
C27B C28B 1.4152(17) . ?
C28B C48B 1.4166(16) . ?
C28B C29B 1.4532(18) . ?
C29B C30B 1.4643(15) . ?
C29B C34B 1.4655(16) . ?
C30B C31B 1.4720(15) . ?
C31B C65B 1.4497(17) . ?
C31B C32B 1.4601(16) . ?
C32B C62B 1.4393(14) . ?
C32B C33B 1.4498(14) . ?
C33B C37B 1.4374(14) . ?
C33B C34B 1.4478(14) . ?
C34B C35B 1.4406(14) . ?
C35B C36B 1.4379(13) . ?
C35B C47B 1.4450(18) . ?
C36B C37B 1.4491(15) . ?
C36B C41B 1.4645(16) . ?
C37B C38B 1.4487(15) . ?
C38B C62B 1.4387(13) . ?
C38B C39B 1.4617(16) . ?
C39B C61B 1.4495(17) . ?
C39B C40B 1.4685(17) . ?
C40B C41B 1.4639(17) . ?
C41B C42B 1.4502(17) . ?
C42B C43B 1.4155(14) . ?
C42B C46B 1.4191(16) . ?
C43B C44B 1.4146(16) . ?
C44B C45B 1.4177(15) . ?
C44B C56B 1.4478(19) . ?
C45B C46B 1.4214(16) . ?
C45B C50B 1.4418(19) . ?
C46B C47B 1.4460(17) . ?
C47B C48B 1.4487(18) . ?
C48B C49B 1.4188(17) . ?
C49B C54B 1.4122(17) . ?
C49B C50B 1.4452(17) . ?
C50B C51B 1.457(2) . ?
C51B C52B 1.4100(18) . ?
C51B C55B 1.4121(18) . ?
C52B C53B 1.4524(17) . ?
C53B C54B 1.4559(17) . ?
C55B C56B 1.4510(17) . ?
C57B C58B 1.4136(15) . ?
C57B C61B 1.4176(14) . ?
C58B C59B 1.4147(14) . ?
C59B C60B 1.4182(16) . ?
C59B C69B 1.4448(18) . ?
C60B C61B 1.4149(16) . ?
C60B C63B 1.4501(17) . ?
C62B C63B 1.4440(18) . ?
C63B C64B 1.4422(18) . ?
C64B C65B 1.4258(16) . ?
C64B C68B 1.4268(17) . ?
C65B C66B 1.4226(16) . ?
C66B C67B 1.4227(13) . ?
C67B C68B 1.4246(15) . ?
C68B C69B 1.4435(16) . ?
C69B C70B 1.4524(18) . ?
C1S C2S 1.361(11) . ?
C1S C3S 1.406(11) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.390(11) 3_756 ?
C2S H2S 0.9500 . ?
C3S H3S 0.9500 . ?
C4S C9S 1.376(9) . ?
C4S C5S 1.386(8) . ?
C4S C10S 1.551(11) . ?
C5S C6S 1.426(9) . ?
C5S H5S 0.9500 . ?
C6S C7S 1.368(9) . ?
C6S H6S 0.9500 . ?
C7S C8S 1.387(8) . ?
C7S H7S 0.9500 . ?
C8S C9S 1.398(9) . ?
C8S H8S 0.9500 . ?
C9S H9S 0.9500 . ?
C10S H10A 0.9800 . ?
C10S H10B 0.9800 . ?
C10S H10C 0.9800 . ?
Ni1P N1P 1.9568(16) . ?
Ni1P N2P 1.9572(16) . ?
Ni1P N3P 1.9578(15) . ?
Ni1P N4P 1.9646(16) . ?
N1P C1P 1.388(2) . ?
N1P C4P 1.396(2) . ?
N2P C9P 1.384(2) . ?
N2P C6P 1.392(2) . ?
N3P C14P 1.389(2) . ?
N3P C11P 1.393(2) . ?
N4P C16P 1.381(2) . ?
N4P C19P 1.389(2) . ?
C1P C20P 1.372(2) . ?
C1P C2P 1.442(2) . ?
C2P C3P 1.346(2) . ?
C2P C21P 1.507(3) . ?
C3P C4P 1.457(2) . ?
C3P C23P 1.501(2) . ?
C4P C5P 1.368(2) . ?
C5P C6P 1.373(2) . ?
C5P H5P 0.9500 . ?
C6P C7P 1.436(2) . ?
C7P C8P 1.367(2) . ?
C7P C25P 1.508(2) . ?
C8P C9P 1.446(2) . ?
C8P C27P 1.500(3) . ?
C9P C10P 1.391(2) . ?
C10P C11P 1.371(2) . ?
C10P H10P 0.9500 . ?
C11P C12P 1.443(2) . ?
C12P C13P 1.358(2) . ?
C12P C29P 1.502(3) . ?
C13P C14P 1.447(2) . ?
C13P C31P 1.508(2) . ?
C14P C15P 1.370(3) . ?
C15P C16P 1.370(2) . ?
C15P H15P 0.9500 . ?
C16P C17P 1.448(2) . ?
C17P C18P 1.352(2) . ?
C17P C33P 1.508(2) . ?
C18P C19P 1.444(2) . ?
C18P C35P 1.509(3) . ?
C19P C20P 1.366(2) . ?
C20P H20P 0.9500 . ?
C21P C22P 1.533(3) . ?
C21P H21A 0.9900 . ?
C21P H21B 0.9900 . ?
C22P H22A 0.9800 . ?
C22P H22B 0.9800 . ?
C22P H22C 0.9800 . ?
C23P C24P 1.536(4) . ?
C23P H23A 0.9900 . ?
C23P H23B 0.9900 . ?
C24P H24A 0.9800 . ?
C24P H24B 0.9800 . ?
C24P H24C 0.9800 . ?
C25P C26P 1.543(4) . ?
C25P H25A 0.9900 . ?
C25P H25B 0.9900 . ?
C26P H26A 0.9800 . ?
C26P H26B 0.9800 . ?
C26P H26C 0.9800 . ?
C27P C28P 1.536(4) . ?
C27P H27A 0.9900 . ?
C27P H27B 0.9900 . ?
C28P H28A 0.9800 . ?
C28P H28B 0.9800 . ?
C28P H28C 0.9800 . ?
C29P C30P 1.520(4) . ?
C29P H29A 0.9900 . ?
C29P H29B 0.9900 . ?
C30P H30A 0.9800 . ?
C30P H30B 0.9800 . ?
C30P H30C 0.9800 . ?
C31P C32P 1.540(4) . ?
C31P H31A 0.9900 . ?
C31P H31B 0.9900 . ?
C32P H32A 0.9800 . ?
C32P H32B 0.9800 . ?
C32P H32C 0.9800 . ?
C33P C34P 1.532(4) . ?
C33P H33A 0.9900 . ?
C33P H33B 0.9900 . ?
C34P H34A 0.9800 . ?
C34P H34B 0.9800 . ?
C34P H34C 0.9800 . ?
C35P C36P 1.545(3) . ?
C35P H35A 0.9900 . ?
C35P H35B 0.9900 . ?
C36P H36A 0.9800 . ?
C36P H36B 0.9800 . ?
C36P H36C 0.9800 . ?
Ni1Q N1Q 1.9568(16) . ?
Ni1Q N2Q 1.9572(16) . ?
Ni1Q N3Q 1.9578(15) . ?
Ni1Q N4Q 1.9646(16) . ?
N1Q C1Q 1.388(2) . ?
N1Q C4Q 1.396(2) . ?
N2Q C9Q 1.384(2) . ?
N2Q C6Q 1.392(2) . ?
N3Q C14Q 1.389(2) . ?
N3Q C11Q 1.393(2) . ?
N4Q C16Q 1.381(2) . ?
N4Q C19Q 1.389(2) . ?
C1Q C20Q 1.372(2) . ?
C1Q C2Q 1.442(2) . ?
C2Q C3Q 1.346(2) . ?
C2Q C21Q 1.507(3) . ?
C3Q C4Q 1.457(2) . ?
C3Q C23Q 1.501(2) . ?
C4Q C5Q 1.368(2) . ?
C5Q C6Q 1.373(2) . ?
C5Q H5Q 0.9500 . ?
C6Q C7Q 1.436(2) . ?
C7Q C8Q 1.367(2) . ?
C7Q C25Q 1.508(2) . ?
C8Q C9Q 1.446(2) . ?
C8Q C27Q 1.500(3) . ?
C9Q C10Q 1.391(2) . ?
C10Q C11Q 1.371(2) . ?
C10Q H10Q 0.9500 . ?
C11Q C12Q 1.443(2) . ?
C12Q C13Q 1.358(2) . ?
C12Q C29Q 1.502(3) . ?
C13Q C14Q 1.447(2) . ?
C13Q C31Q 1.508(2) . ?
C14Q C15Q 1.370(3) . ?
C15Q C16Q 1.370(2) . ?
C15Q H15Q 0.9500 . ?
C16Q C17Q 1.448(2) . ?
C17Q C18Q 1.352(2) . ?
C17Q C33Q 1.508(2) . ?
C18Q C19Q 1.444(2) . ?
C18Q C35Q 1.509(3) . ?
C19Q C20Q 1.366(2) . ?
C20Q H20Q 0.9500 . ?
C21Q C22Q 1.533(3) . ?
C21Q H21C 0.9900 . ?
C21Q H21D 0.9900 . ?
C22Q H22D 0.9800 . ?
C22Q H22E 0.9800 . ?
C22Q H22F 0.9800 . ?
C23Q C24Q 1.536(4) . ?
C23Q H23C 0.9900 . ?
C23Q H23D 0.9900 . ?
C24Q H24D 0.9800 . ?
C24Q H24E 0.9800 . ?
C24Q H24F 0.9800 . ?
C25Q C26Q 1.543(4) . ?
C25Q H25C 0.9900 . ?
C25Q H25D 0.9900 . ?
C26Q H26D 0.9800 . ?
C26Q H26E 0.9800 . ?
C26Q H26F 0.9800 . ?
C27Q C28Q 1.536(4) . ?
C27Q H27C 0.9900 . ?
C27Q H27D 0.9900 . ?
C28Q H28D 0.9800 . ?
C28Q H28E 0.9800 . ?
C28Q H28F 0.9800 . ?
C29Q C30Q 1.520(4) . ?
C29Q H29C 0.9900 . ?
C29Q H29D 0.9900 . ?
C30Q H30D 0.9800 . ?
C30Q H30E 0.9800 . ?
C30Q H30F 0.9800 . ?
C31Q C32Q 1.540(4) . ?
C31Q H31C 0.9900 . ?
C31Q H31D 0.9900 . ?
C32Q H32D 0.9800 . ?
C32Q H32E 0.9800 . ?
C32Q H32F 0.9800 . ?
C33Q C34Q 1.532(4) . ?
C33Q H33C 0.9900 . ?
C33Q H33D 0.9900 . ?
C34Q H34D 0.9800 . ?
C34Q H34E 0.9800 . ?
C34Q H34F 0.9800 . ?
C35Q C36Q 1.545(3) . ?
C35Q H35C 0.9900 . ?
C35Q H35D 0.9900 . ?
C36Q H36D 0.9800 . ?
C36Q H36E 0.9800 . ?
C36Q H36F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1A Sc1A C8A 135.62(16) . . ?
N1A Sc1A C6A 133.6(2) . . ?
C8A Sc1A C6A 59.55(5) . . ?
N1A Sc1A C1A 163.98(17) . . ?
C8A Sc1A C1A 35.62(4) . . ?
C6A Sc1A C1A 59.01(5) . . ?
N1A Sc1A C5A 160.84(17) . . ?
C8A Sc1A C5A 59.10(5) . . ?
C6A Sc1A C5A 35.36(4) . . ?
C1A Sc1A C5A 35.16(4) . . ?
N1A Sc1A C7A 124.12(19) . . ?
C8A Sc1A C7A 35.32(4) . . ?
C6A Sc1A C7A 35.25(4) . . ?
C1A Sc1A C7A 58.32(5) . . ?
C5A Sc1A C7A 58.17(5) . . ?
N1A Sc1A C2A 135.9(2) . . ?
C8A Sc1A C2A 62.74(5) . . ?
C6A Sc1A C2A 90.35(6) . . ?
C1A Sc1A C2A 34.82(4) . . ?
C5A Sc1A C2A 57.58(4) . . ?
C7A Sc1A C2A 92.45(6) . . ?
N1A Sc1A C4A 134.04(16) . . ?
C8A Sc1A C4A 90.34(5) . . ?
C6A Sc1A C4A 62.11(5) . . ?
C1A Sc1A C4A 57.46(4) . . ?
C5A Sc1A C4A 34.55(4) . . ?
C7A Sc1A C4A 91.96(5) . . ?
C2A Sc1A C4A 56.36(4) . . ?
N1A Sc1A C3A 123.99(19) . . ?
C8A Sc1A C3A 91.98(5) . . ?
C6A Sc1A C3A 91.43(5) . . ?
C1A Sc1A C3A 57.28(4) . . ?
C5A Sc1A C3A 57.10(4) . . ?
C7A Sc1A C3A 111.84(6) . . ?
C2A Sc1A C3A 33.81(4) . . ?
C4A Sc1A C3A 33.64(3) . . ?
N1A Sc1A C9A 106.59(16) . . ?
C8A Sc1A C9A 33.33(4) . . ?
C6A Sc1A C9A 91.02(5) . . ?
C1A Sc1A C9A 59.72(4) . . ?
C5A Sc1A C9A 90.79(5) . . ?
C7A Sc1A C9A 59.32(4) . . ?
C2A Sc1A C9A 69.18(4) . . ?
C4A Sc1A C9A 116.86(5) . . ?
C3A Sc1A C9A 102.94(5) . . ?
N1A Sc1A C56A 104.58(19) . . ?
C8A Sc1A C56A 90.49(5) . . ?
C6A Sc1A C56A 32.74(4) . . ?
C1A Sc1A C56A 90.06(5) . . ?
C5A Sc1A C56A 58.89(4) . . ?
C7A Sc1A C56A 58.81(4) . . ?
C2A Sc1A C56A 116.09(5) . . ?
C4A Sc1A C56A 68.14(5) . . ?
C3A Sc1A C56A 101.72(5) . . ?
C9A Sc1A C56A 118.05(5) . . ?
N1A Sc1A C57A 109.14(19) . . ?
C8A Sc1A C57A 67.68(4) . . ?
C6A Sc1A C57A 115.91(5) . . ?
C1A Sc1A C57A 56.95(4) . . ?
C5A Sc1A C57A 87.31(5) . . ?
C7A Sc1A C57A 102.98(5) . . ?
C2A Sc1A C57A 31.16(4) . . ?
C4A Sc1A C57A 85.71(5) . . ?
C3A Sc1A C57A 55.88(4) . . ?
C9A Sc1A C57A 54.72(4) . . ?
C56A Sc1A C57A 146.11(5) . . ?
N1A Sc2A C33A 162.94(19) . . ?
N1A Sc2A C37A 160.38(19) . . ?
C33A Sc2A C37A 36.67(4) . . ?
N1A Sc2A C32A 134.05(17) . . ?
C33A Sc2A C32A 36.65(4) . . ?
C37A Sc2A C32A 60.71(5) . . ?
N1A Sc2A C34A 133.52(19) . . ?
C33A Sc2A C34A 36.53(4) . . ?
C37A Sc2A C34A 60.60(4) . . ?
C32A Sc2A C34A 65.01(5) . . ?
N1A Sc2A C38A 132.51(19) . . ?
C33A Sc2A C38A 60.59(5) . . ?
C37A Sc2A C38A 36.34(4) . . ?
C32A Sc2A C38A 59.85(5) . . ?
C34A Sc2A C38A 93.94(5) . . ?
N1A Sc2A C36A 131.93(17) . . ?
C33A Sc2A C36A 60.52(4) . . ?
C37A Sc2A C36A 36.31(4) . . ?
C32A Sc2A C36A 94.00(5) . . ?
C34A Sc2A C36A 59.71(4) . . ?
C38A Sc2A C36A 64.38(4) . . ?
N1A Sc2A C62A 122.94(17) . . ?
C33A Sc2A C62A 59.42(5) . . ?
C37A Sc2A C62A 59.23(5) . . ?
C32A Sc2A C62A 35.21(4) . . ?
C34A Sc2A C62A 95.07(5) . . ?
C38A Sc2A C62A 35.07(4) . . ?
C36A Sc2A C62A 94.56(5) . . ?
N1A Sc2A C35A 122.17(17) . . ?
C33A Sc2A C35A 59.30(4) . . ?
C37A Sc2A C35A 59.13(4) . . ?
C32A Sc2A C35A 95.07(5) . . ?
C34A Sc2A C35A 35.15(4) . . ?
C38A Sc2A C35A 94.48(5) . . ?
C36A Sc2A C35A 34.97(4) . . ?
C62A Sc2A C35A 114.85(5) . . ?
N1A Sc2A C31A 105.21(18) . . ?
C33A Sc2A C31A 60.36(5) . . ?
C37A Sc2A C31A 92.25(5) . . ?
C32A Sc2A C31A 32.93(4) . . ?
C34A Sc2A C31A 70.61(5) . . ?
C38A Sc2A C31A 90.53(5) . . ?
C36A Sc2A C31A 120.70(5) . . ?
C62A Sc2A C31A 58.48(4) . . ?
C35A Sc2A C31A 105.75(5) . . ?
N1A Sc2A C29A 104.82(19) . . ?
C33A Sc2A C29A 60.31(5) . . ?
C37A Sc2A C29A 92.21(5) . . ?
C32A Sc2A C29A 70.58(5) . . ?
C34A Sc2A C29A 33.00(4) . . ?
C38A Sc2A C29A 120.72(5) . . ?
C36A Sc2A C29A 90.43(5) . . ?
C62A Sc2A C29A 105.78(5) . . ?
C35A Sc2A C29A 58.46(4) . . ?
C31A Sc2A C29A 56.26(4) . . ?
N1A Sc2A C39A 103.63(19) . . ?
C33A Sc2A C39A 91.65(6) . . ?
C37A Sc2A C39A 59.64(4) . . ?
C32A Sc2A C39A 90.12(5) . . ?
C34A Sc2A C39A 120.01(5) . . ?
C38A Sc2A C39A 32.50(4) . . ?
C36A Sc2A C39A 69.66(4) . . ?
C62A Sc2A C39A 57.96(4) . . ?
C35A Sc2A C39A 104.62(5) . . ?
C31A Sc2A C39A 116.19(5) . . ?
C29A Sc2A C39A 151.54(5) . . ?
N1A Sc3A C21A 136.3(2) . . ?
N1A Sc3A C19A 134.52(17) . . ?
C21A Sc3A C19A 60.02(5) . . ?
N1A Sc3A C22A 163.53(17) . . ?
C21A Sc3A C22A 35.84(4) . . ?
C19A Sc3A C22A 59.42(5) . . ?
N1A Sc3A C23A 160.93(18) . . ?
C21A Sc3A C23A 59.39(5) . . ?
C19A Sc3A C23A 35.54(4) . . ?
C22A Sc3A C23A 35.28(4) . . ?
N1A Sc3A C20A 125.25(19) . . ?
C21A Sc3A C20A 35.68(4) . . ?
C19A Sc3A C20A 35.48(4) . . ?
C22A Sc3A C20A 58.79(5) . . ?
C23A Sc3A C20A 58.49(5) . . ?
N1A Sc3A C26A 134.57(17) . . ?
C21A Sc3A C26A 63.08(5) . . ?
C19A Sc3A C26A 90.68(5) . . ?
C22A Sc3A C26A 34.89(4) . . ?
C23A Sc3A C26A 57.60(5) . . ?
C20A Sc3A C26A 93.04(6) . . ?
N1A Sc3A C24A 133.2(2) . . ?
C21A Sc3A C24A 90.52(6) . . ?
C19A Sc3A C24A 62.12(5) . . ?
C22A Sc3A C24A 57.42(5) . . ?
C23A Sc3A C24A 34.47(4) . . ?
C20A Sc3A C24A 92.18(5) . . ?
C26A Sc3A C24A 56.14(5) . . ?
N1A Sc3A C25A 122.65(19) . . ?
C21A Sc3A C25A 92.07(6) . . ?
C19A Sc3A C25A 91.35(5) . . ?
C22A Sc3A C25A 57.13(5) . . ?
C23A Sc3A C25A 56.90(5) . . ?
C20A Sc3A C25A 112.05(6) . . ?
C26A Sc3A C25A 33.59(4) . . ?
C24A Sc3A C25A 33.43(4) . . ?
N1A Sc3A C53A 106.59(18) . . ?
C21A Sc3A C53A 33.69(4) . . ?
C19A Sc3A C53A 91.88(6) . . ?
C22A Sc3A C53A 60.08(5) . . ?
C23A Sc3A C53A 91.35(6) . . ?
C20A Sc3A C53A 60.02(5) . . ?
C26A Sc3A C53A 69.47(5) . . ?
C24A Sc3A C53A 117.15(6) . . ?
C25A Sc3A C53A 103.01(5) . . ?
N1A Sc3A C18A 104.97(16) . . ?
C21A Sc3A C18A 91.24(5) . . ?
C19A Sc3A C18A 33.01(4) . . ?
C22A Sc3A C18A 90.68(5) . . ?
C23A Sc3A C18A 59.27(5) . . ?
C20A Sc3A C18A 59.22(4) . . ?
C26A Sc3A C18A 116.40(6) . . ?
C24A Sc3A C18A 68.21(5) . . ?
C25A Sc3A C18A 101.56(5) . . ?
C53A Sc3A C18A 119.15(5) . . ?
N1A Sc3A C27A 108.11(16) . . ?
C21A Sc3A C27A 68.07(5) . . ?
C19A Sc3A C27A 116.38(6) . . ?
C22A Sc3A C27A 56.99(5) . . ?
C23A Sc3A C27A 87.31(5) . . ?
C20A Sc3A C27A 103.73(6) . . ?
C26A Sc3A C27A 31.07(4) . . ?
C24A Sc3A C27A 85.34(5) . . ?
C25A Sc3A C27A 55.57(4) . . ?
C53A Sc3A C27A 54.98(4) . . ?
C18A Sc3A C27A 146.54(6) . . ?
Sc2A N1A Sc1A 105.3(3) . . ?
Sc2A N1A Sc3A 104.6(3) . . ?
Sc1A N1A Sc3A 150.0(4) . . ?
C5A C1A C8A 108.16(9) . . ?
C5A C1A C2A 107.77(9) . . ?
C8A C1A C2A 119.61(9) . . ?
C5A C1A Sc1A 72.90(7) . . ?
C8A C1A Sc1A 71.07(7) . . ?
C2A C1A Sc1A 75.36(7) . . ?
C3A C2A C57A 119.58(8) . . ?
C3A C2A C1A 108.59(8) . . ?
C57A C2A C1A 118.94(9) . . ?
C3A C2A Sc1A 75.53(8) . . ?
C57A C2A Sc1A 87.57(8) . . ?
C1A C2A Sc1A 69.82(8) . . ?
C4A C3A C2A 107.18(8) . . ?
C4A C3A C40A 120.44(9) . . ?
C2A C3A C40A 120.59(9) . . ?
C4A C3A Sc1A 71.55(8) . . ?
C2A C3A Sc1A 70.66(8) . . ?
C40A C3A Sc1A 91.86(10) . . ?
C3A C4A C43A 119.61(8) . . ?
C3A C4A C5A 108.61(8) . . ?
C43A C4A C5A 118.88(9) . . ?
C3A C4A Sc1A 74.81(8) . . ?
C43A C4A Sc1A 88.41(8) . . ?
C5A C4A Sc1A 69.63(7) . . ?
C1A C5A C6A 108.09(9) . . ?
C1A C5A C4A 107.85(9) . . ?
C6A C5A C4A 119.44(9) . . ?
C1A C5A Sc1A 71.94(7) . . ?
C6A C5A Sc1A 71.25(7) . . ?
C4A C5A Sc1A 75.83(7) . . ?
C5A C6A C7A 107.83(8) . . ?
C5A C6A C56A 119.64(9) . . ?
C7A C6A C56A 119.96(9) . . ?
C5A C6A Sc1A 73.39(7) . . ?
C7A C6A Sc1A 74.45(7) . . ?
C56A C6A Sc1A 85.61(7) . . ?
C8A C7A C6A 107.78(9) . . ?
C8A C7A C12A 120.34(9) . . ?
C6A C7A C12A 120.04(9) . . ?
C8A C7A Sc1A 69.74(7) . . ?
C6A C7A Sc1A 70.30(7) . . ?
C12A C7A Sc1A 94.01(10) . . ?
C1A C8A C7A 107.73(8) . . ?
C1A C8A C9A 119.58(9) . . ?
C7A C8A C9A 119.60(9) . . ?
C1A C8A Sc1A 73.31(7) . . ?
C7A C8A Sc1A 74.94(7) . . ?
C9A C8A Sc1A 84.50(7) . . ?
C10A C9A C8A 117.84(9) . . ?
C10A C9A C58A 118.68(8) . . ?
C8A C9A C58A 118.66(8) . . ?
C10A C9A Sc1A 100.71(9) . . ?
C8A C9A Sc1A 62.17(7) . . ?
C58A C9A Sc1A 85.80(7) . . ?
C70A C10A C11A 108.04(9) . . ?
C70A C10A C9A 120.50(10) . . ?
C11A C10A C9A 120.88(11) . . ?
C10A C11A C16A 107.92(10) . . ?
C10A C11A C12A 119.88(12) . . ?
C16A C11A C12A 120.61(10) . . ?
C7A C12A C11A 118.17(10) . . ?
C7A C12A C13A 118.28(10) . . ?
C11A C12A C13A 118.90(9) . . ?
C55A C13A C14A 107.80(11) . . ?
C55A C13A C12A 119.86(12) . . ?
C14A C13A C12A 120.55(10) . . ?
C13A C14A C52A 107.63(11) . . ?
C13A C14A C15A 120.55(10) . . ?
C52A C14A C15A 120.13(11) . . ?
C16A C15A C14A 118.80(9) . . ?
C16A C15A C20A 118.33(9) . . ?
C14A C15A C20A 118.05(9) . . ?
C16A C15A Sc3A 96.77(9) . . ?
C14A C15A Sc3A 95.36(9) . . ?
C20A C15A Sc3A 56.15(7) . . ?
C11A C16A C17A 107.80(10) . . ?
C11A C16A C15A 120.55(10) . . ?
C17A C16A C15A 120.05(11) . . ?
C70A C17A C16A 107.96(10) . . ?
C70A C17A C18A 120.35(10) . . ?
C16A C17A C18A 120.56(11) . . ?
C67A C18A C19A 119.02(8) . . ?
C67A C18A C17A 118.70(9) . . ?
C19A C18A C17A 118.08(9) . . ?
C67A C18A Sc3A 87.59(8) . . ?
C19A C18A Sc3A 61.70(8) . . ?
C17A C18A Sc3A 100.82(10) . . ?
C23A C19A C20A 107.66(9) . . ?
C23A C19A C18A 119.54(9) . . ?
C20A C19A C18A 119.72(11) . . ?
C23A C19A Sc3A 73.42(8) . . ?
C20A C19A Sc3A 74.00(9) . . ?
C18A C19A Sc3A 85.29(9) . . ?
C19A C20A C21A 107.75(8) . . ?
C19A C20A C15A 119.85(10) . . ?
C21A C20A C15A 120.03(11) . . ?
C19A C20A Sc3A 70.53(9) . . ?
C21A C20A Sc3A 69.44(8) . . ?
C15A C20A Sc3A 93.33(10) . . ?
C22A C21A C20A 107.85(8) . . ?
C22A C21A C53A 119.15(10) . . ?
C20A C21A C53A 119.71(10) . . ?
C22A C21A Sc3A 73.57(8) . . ?
C20A C21A Sc3A 74.88(9) . . ?
C53A C21A Sc3A 84.05(9) . . ?
C23A C22A C21A 108.05(8) . . ?
C23A C22A C26A 107.74(9) . . ?
C21A C22A C26A 119.94(11) . . ?
C23A C22A Sc3A 73.05(8) . . ?
C21A C22A Sc3A 70.59(9) . . ?
C26A C22A Sc3A 75.95(8) . . ?
C22A C23A C24A 107.86(9) . . ?
C22A C23A C19A 108.26(9) . . ?
C24A C23A C19A 119.47(10) . . ?
C22A C23A Sc3A 71.67(8) . . ?
C24A C23A Sc3A 76.51(8) . . ?
C19A C23A Sc3A 71.04(8) . . ?
C25A C24A C66A 119.71(10) . . ?
C25A C24A C23A 108.61(8) . . ?
C66A C24A C23A 119.00(8) . . ?
C25A C24A Sc3A 75.19(7) . . ?
C66A C24A Sc3A 88.94(8) . . ?
C23A C24A Sc3A 69.02(7) . . ?
C26A C25A C24A 107.24(8) . . ?
C26A C25A C30A 120.53(9) . . ?
C24A C25A C30A 120.56(9) . . ?
C26A C25A Sc3A 70.27(6) . . ?
C24A C25A Sc3A 71.38(6) . . ?
C30A C25A Sc3A 92.59(8) . . ?
C27A C26A C25A 119.48(10) . . ?
C27A C26A C22A 118.83(9) . . ?
C25A C26A C22A 108.55(8) . . ?
C27A C26A Sc3A 87.27(8) . . ?
C25A C26A Sc3A 76.14(7) . . ?
C22A C26A Sc3A 69.16(7) . . ?
C54A C27A C28A 108.41(10) . . ?
C54A C27A C26A 120.63(10) . . ?
C28A C27A C26A 120.39(10) . . ?
C54A C27A Sc3A 80.12(10) . . ?
C28A C27A Sc3A 99.03(9) . . ?
C26A C27A Sc3A 61.66(7) . . ?
C27A C28A C48A 107.47(9) . . ?
C27A C28A C29A 120.62(10) . . ?
C48A C28A C29A 120.44(9) . . ?
C28A C29A C30A 118.76(10) . . ?
C28A C29A C34A 117.01(8) . . ?
C30A C29A C34A 119.67(8) . . ?
C28A C29A Sc2A 105.45(8) . . ?
C30A C29A Sc2A 84.21(7) . . ?
C34A C29A Sc2A 60.33(7) . . ?
C25A C30A C29A 118.48(8) . . ?
C25A C30A C31A 118.40(8) . . ?
C29A C30A C31A 119.05(7) . . ?
C65A C31A C32A 117.04(8) . . ?
C65A C31A C30A 118.94(10) . . ?
C32A C31A C30A 119.57(8) . . ?
C65A C31A Sc2A 105.67(8) . . ?
C32A C31A Sc2A 60.24(7) . . ?
C30A C31A Sc2A 84.26(7) . . ?
C62A C32A C33A 107.57(8) . . ?
C62A C32A C31A 119.30(10) . . ?
C33A C32A C31A 119.78(9) . . ?
C62A C32A Sc2A 75.73(8) . . ?
C33A C32A Sc2A 69.66(7) . . ?
C31A C32A Sc2A 86.82(9) . . ?
C37A C33A C34A 108.14(9) . . ?
C37A C33A C32A 108.07(9) . . ?
C34A C33A C32A 119.99(10) . . ?
C37A C33A Sc2A 72.21(9) . . ?
C34A C33A Sc2A 74.01(8) . . ?
C32A C33A Sc2A 73.70(8) . . ?
C35A C34A C33A 107.55(8) . . ?
C35A C34A C29A 119.19(10) . . ?
C33A C34A C29A 119.65(9) . . ?
C35A C34A Sc2A 75.73(8) . . ?
C33A C34A Sc2A 69.46(8) . . ?
C29A C34A Sc2A 86.67(9) . . ?
C36A C35A C34A 108.51(8) . . ?
C36A C35A C47A 120.04(9) . . ?
C34A C35A C47A 120.06(10) . . ?
C36A C35A Sc2A 69.84(7) . . ?
C34A C35A Sc2A 69.12(8) . . ?
C47A C35A Sc2A 95.88(10) . . ?
C35A C36A C37A 107.64(8) . . ?
C35A C36A C41A 119.34(10) . . ?
C37A C36A C41A 119.74(9) . . ?
C35A C36A Sc2A 75.19(8) . . ?
C37A C36A Sc2A 69.47(8) . . ?
C41A C36A Sc2A 87.60(8) . . ?
C33A C37A C38A 108.05(9) . . ?
C33A C37A C36A 108.01(9) . . ?
C38A C37A C36A 119.78(10) . . ?
C33A C37A Sc2A 71.13(8) . . ?
C38A C37A Sc2A 74.05(8) . . ?
C36A C37A Sc2A 74.22(8) . . ?
C62A C38A C37A 107.64(8) . . ?
C62A C38A C39A 119.30(10) . . ?
C37A C38A C39A 119.86(9) . . ?
C62A C38A Sc2A 75.06(8) . . ?
C37A C38A Sc2A 69.61(7) . . ?
C39A C38A Sc2A 87.71(8) . . ?
C61A C39A C38A 117.07(8) . . ?
C61A C39A C40A 118.69(9) . . ?
C38A C39A C40A 119.55(8) . . ?
C61A C39A Sc2A 105.32(9) . . ?
C38A C39A Sc2A 59.79(7) . . ?
C40A C39A Sc2A 84.51(9) . . ?
C3A C40A C41A 118.58(9) . . ?
C3A C40A C39A 118.46(9) . . ?
C41A C40A C39A 119.19(10) . . ?
C42A C41A C40A 118.72(9) . . ?
C42A C41A C36A 116.95(8) . . ?
C40A C41A C36A 119.64(8) . . ?
C42A C41A Sc2A 105.30(9) . . ?
C40A C41A Sc2A 84.50(9) . . ?
C36A C41A Sc2A 59.86(7) . . ?
C43A C42A C46A 107.61(10) . . ?
C43A C42A C41A 120.58(10) . . ?
C46A C42A C41A 120.49(10) . . ?
C44A C43A C42A 108.39(9) . . ?
C44A C43A C4A 120.58(9) . . ?
C42A C43A C4A 120.32(9) . . ?
C44A C43A Sc1A 81.32(8) . . ?
C42A C43A Sc1A 98.35(9) . . ?
C4A C43A Sc1A 60.88(6) . . ?
C43A C44A C45A 107.71(9) . . ?
C43A C44A C56A 119.85(10) . . ?
C45A C44A C56A 121.00(11) . . ?
C44A C45A C46A 108.00(10) . . ?
C44A C45A C50A 120.48(12) . . ?
C46A C45A C50A 120.35(10) . . ?
C42A C46A C45A 107.85(10) . . ?
C42A C46A C47A 120.11(11) . . ?
C45A C46A C47A 120.34(10) . . ?
C35A C47A C46A 118.91(9) . . ?
C35A C47A C48A 118.93(9) . . ?
C46A C47A C48A 118.40(10) . . ?
C28A C48A C49A 107.87(10) . . ?
C28A C48A C47A 120.16(11) . . ?
C49A C48A C47A 120.38(9) . . ?
C54A C49A C48A 108.15(10) . . ?
C54A C49A C50A 120.37(11) . . ?
C48A C49A C50A 120.29(10) . . ?
C45A C50A C49A 118.47(10) . . ?
C45A C50A C51A 118.49(11) . . ?
C49A C50A C51A 118.61(11) . . ?
C52A C51A C55A 108.14(11) . . ?
C52A C51A C50A 120.64(11) . . ?
C55A C51A C50A 120.53(12) . . ?
C51A C52A C14A 108.16(11) . . ?
C51A C52A C53A 120.68(11) . . ?
C14A C52A C53A 120.84(11) . . ?
C21A C53A C52A 118.02(9) . . ?
C21A C53A C54A 118.81(9) . . ?
C52A C53A C54A 118.11(10) . . ?
C21A C53A Sc3A 62.26(7) . . ?
C52A C53A Sc3A 100.11(10) . . ?
C54A C53A Sc3A 85.88(9) . . ?
C49A C54A C27A 107.66(10) . . ?
C49A C54A C53A 121.10(10) . . ?
C27A C54A C53A 120.26(11) . . ?
C51A C55A C13A 108.11(10) . . ?
C51A C55A C56A 120.73(12) . . ?
C13A C55A C56A 120.74(11) . . ?
C6A C56A C44A 119.02(9) . . ?
C6A C56A C55A 117.92(10) . . ?
C44A C56A C55A 118.20(9) . . ?
C6A C56A Sc1A 61.65(6) . . ?
C44A C56A Sc1A 86.53(8) . . ?
C55A C56A Sc1A 100.56(9) . . ?
C58A C57A C61A 108.41(9) . . ?
C58A C57A C2A 120.52(9) . . ?
C61A C57A C2A 120.25(9) . . ?
C58A C57A Sc1A 80.83(7) . . ?
C61A C57A Sc1A 98.22(9) . . ?
C2A C57A Sc1A 61.27(7) . . ?
C57A C58A C59A 107.59(8) . . ?
C57A C58A C9A 120.16(8) . . ?
C59A C58A C9A 120.61(9) . . ?
C58A C59A C60A 108.12(9) . . ?
C58A C59A C69A 120.50(10) . . ?
C60A C59A C69A 120.37(10) . . ?
C61A C60A C59A 108.01(9) . . ?
C61A C60A C63A 120.19(10) . . ?
C59A C60A C63A 120.39(10) . . ?
C60A C61A C57A 107.44(9) . . ?
C60A C61A C39A 120.49(10) . . ?
C57A C61A C39A 120.70(10) . . ?
C38A C62A C32A 108.51(8) . . ?
C38A C62A C63A 120.11(9) . . ?
C32A C62A C63A 120.07(10) . . ?
C38A C62A Sc2A 69.87(7) . . ?
C32A C62A Sc2A 69.06(8) . . ?
C63A C62A Sc2A 96.03(10) . . ?
C64A C63A C62A 119.00(9) . . ?
C64A C63A C60A 118.42(10) . . ?
C62A C63A C60A 118.74(9) . . ?
C65A C64A C68A 107.95(10) . . ?
C65A C64A C63A 120.01(10) . . ?
C68A C64A C63A 120.38(9) . . ?
C66A C65A C64A 107.55(9) . . ?
C66A C65A C31A 120.62(10) . . ?
C64A C65A C31A 120.32(9) . . ?
C65A C66A C67A 108.40(9) . . ?
C65A C66A C24A 120.19(9) . . ?
C67A C66A C24A 120.44(8) . . ?
C65A C66A Sc3A 98.65(8) . . ?
C67A C66A Sc3A 80.96(7) . . ?
C24A C66A Sc3A 60.60(7) . . ?
C66A C67A C68A 107.65(9) . . ?
C66A C67A C18A 119.89(8) . . ?
C68A C67A C18A 120.55(9) . . ?
C67A C68A C64A 108.02(10) . . ?
C67A C68A C69A 120.27(10) . . ?
C64A C68A C69A 120.19(10) . . ?
C68A C69A C59A 118.35(9) . . ?
C68A C69A C70A 118.94(9) . . ?
C59A C69A C70A 118.71(9) . . ?
C17A C70A C10A 108.10(10) . . ?
C17A C70A C69A 120.42(10) . . ?
C10A C70A C69A 120.34(11) . . ?
N1B Sc1B C8B 131.7(10) . . ?
N1B Sc1B C1B 160.3(9) . . ?
C8B Sc1B C1B 35.76(14) . . ?
N1B Sc1B C5B 164.3(9) . . ?
C8B Sc1B C5B 58.99(19) . . ?
C1B Sc1B C5B 35.20(11) . . ?
N1B Sc1B C6B 135.0(9) . . ?
C8B Sc1B C6B 59.01(19) . . ?
C1B Sc1B C6B 58.69(18) . . ?
C5B Sc1B C6B 35.00(12) . . ?
N1B Sc1B C2B 134.5(9) . . ?
C8B Sc1B C2B 63.4(3) . . ?
C1B Sc1B C2B 35.29(15) . . ?
C5B Sc1B C2B 58.05(19) . . ?
C6B Sc1B C2B 90.5(3) . . ?
N1B Sc1B C7B 122.6(10) . . ?
C8B Sc1B C7B 35.04(12) . . ?
C1B Sc1B C7B 58.07(19) . . ?
C5B Sc1B C7B 57.62(18) . . ?
C6B Sc1B C7B 34.72(12) . . ?
C2B Sc1B C7B 92.7(3) . . ?
N1B Sc1B C4B 137.8(10) . . ?
C8B Sc1B C4B 90.5(3) . . ?
C1B Sc1B C4B 57.71(17) . . ?
C5B Sc1B C4B 34.53(11) . . ?
C6B Sc1B C4B 61.6(2) . . ?
C2B Sc1B C4B 56.94(18) . . ?
C7B Sc1B C4B 91.3(3) . . ?
N1B Sc1B C3B 125.5(10) . . ?
C8B Sc1B C3B 92.9(3) . . ?
C1B Sc1B C3B 58.0(2) . . ?
C5B Sc1B C3B 57.48(17) . . ?
C6B Sc1B C3B 91.4(3) . . ?
C2B Sc1B C3B 34.36(13) . . ?
C7B Sc1B C3B 112.0(3) . . ?
C4B Sc1B C3B 33.93(11) . . ?
N1B Sc1B C9B 102.1(9) . . ?
C8B Sc1B C9B 33.53(15) . . ?
C1B Sc1B C9B 60.2(3) . . ?
C5B Sc1B C9B 91.0(3) . . ?
C6B Sc1B C9B 90.6(3) . . ?
C2B Sc1B C9B 70.1(3) . . ?
C7B Sc1B C9B 59.2(2) . . ?
C4B Sc1B C9B 117.7(4) . . ?
C3B Sc1B C9B 104.5(4) . . ?
N1B Sc1B C56B 107.7(8) . . ?
C8B Sc1B C56B 89.2(3) . . ?
C1B Sc1B C56B 89.1(3) . . ?
C5B Sc1B C56B 58.0(2) . . ?
C6B Sc1B C56B 32.08(15) . . ?
C2B Sc1B C56B 115.7(3) . . ?
C7B Sc1B C56B 57.7(2) . . ?
C4B Sc1B C56B 67.3(3) . . ?
C3B Sc1B C56B 101.2(3) . . ?
C9B Sc1B C56B 116.8(3) . . ?
N1B Sc1B C57B 106.0(8) . . ?
C8B Sc1B C57B 68.7(3) . . ?
C1B Sc1B C57B 57.9(3) . . ?
C5B Sc1B C57B 88.4(3) . . ?
C6B Sc1B C57B 116.6(3) . . ?
C2B Sc1B C57B 31.83(16) . . ?
C7B Sc1B C57B 103.7(4) . . ?
C4B Sc1B C57B 87.0(3) . . ?
C3B Sc1B C57B 57.0(2) . . ?
C9B Sc1B C57B 55.6(3) . . ?
C56B Sc1B C57B 146.3(3) . . ?
N1B Sc2B C33B 164.8(9) . . ?
N1B Sc2B C34B 140.7(9) . . ?
C33B Sc2B C34B 37.16(10) . . ?
N1B Sc2B C37B 155.8(9) . . ?
C33B Sc2B C37B 36.80(9) . . ?
C34B Sc2B C37B 61.19(14) . . ?
N1B Sc2B C32B 130.3(8) . . ?
C33B Sc2B C32B 36.99(10) . . ?
C34B Sc2B C32B 66.04(15) . . ?
C37B Sc2B C32B 60.86(16) . . ?
N1B Sc2B C36B 134.1(9) . . ?
C33B Sc2B C36B 60.78(14) . . ?
C34B Sc2B C36B 60.28(16) . . ?
C37B Sc2B C36B 36.20(9) . . ?
C32B Sc2B C36B 94.3(2) . . ?
N1B Sc2B C38B 125.1(8) . . ?
C33B Sc2B C38B 60.40(18) . . ?
C34B Sc2B C38B 94.3(2) . . ?
C37B Sc2B C38B 35.96(12) . . ?
C32B Sc2B C38B 59.6(2) . . ?
C36B Sc2B C38B 63.76(17) . . ?
N1B Sc2B C35B 128.7(8) . . ?
C33B Sc2B C35B 60.05(16) . . ?
C34B Sc2B C35B 35.70(12) . . ?
C37B Sc2B C35B 59.44(14) . . ?
C32B Sc2B C35B 96.3(2) . . ?
C36B Sc2B C35B 35.17(10) . . ?
C38B Sc2B C35B 94.32(19) . . ?
N1B Sc2B C62B 115.7(8) . . ?
C33B Sc2B C62B 59.44(18) . . ?
C34B Sc2B C62B 95.8(2) . . ?
C37B Sc2B C62B 58.85(19) . . ?
C32B Sc2B C62B 35.14(12) . . ?
C36B Sc2B C62B 93.9(3) . . ?
C38B Sc2B C62B 34.68(14) . . ?
C35B Sc2B C62B 115.2(2) . . ?
N1B Sc2B C29B 110.1(8) . . ?
C33B Sc2B C29B 61.60(18) . . ?
C34B Sc2B C29B 33.81(13) . . ?
C37B Sc2B C29B 93.6(2) . . ?
C32B Sc2B C29B 71.95(18) . . ?
C36B Sc2B C29B 91.8(3) . . ?
C38B Sc2B C29B 121.8(2) . . ?
C35B Sc2B C29B 59.6(2) . . ?
C62B Sc2B C29B 107.1(2) . . ?
N1B Sc2B C31B 103.7(8) . . ?
C33B Sc2B C31B 61.19(14) . . ?
C34B Sc2B C31B 71.92(17) . . ?
C37B Sc2B C31B 92.9(2) . . ?
C32B Sc2B C31B 33.37(9) . . ?
C36B Sc2B C31B 121.9(2) . . ?
C38B Sc2B C31B 90.6(3) . . ?
C35B Sc2B C31B 107.6(3) . . ?
C62B Sc2B C31B 58.77(16) . . ?
C29B Sc2B C31B 57.35(15) . . ?
N1B Sc2B C41B 103.8(9) . . ?
C33B Sc2B C41B 91.40(19) . . ?
C34B Sc2B C41B 90.3(2) . . ?
C37B Sc2B C41B 59.06(14) . . ?
C32B Sc2B C41B 119.6(3) . . ?
C36B Sc2B C41B 32.16(9) . . ?
C38B Sc2B C41B 68.64(18) . . ?
C35B Sc2B C41B 57.75(14) . . ?
C62B Sc2B C41B 103.3(3) . . ?
C29B Sc2B C41B 117.1(3) . . ?
C31B Sc2B C41B 151.9(2) . . ?
N1B Sc3B C19B 139.2(9) . . ?
N1B Sc3B C23B 167.6(9) . . ?
C19B Sc3B C23B 36.95(13) . . ?
N1B Sc3B C20B 126.0(9) . . ?
C19B Sc3B C20B 36.33(13) . . ?
C23B Sc3B C20B 59.38(19) . . ?
N1B Sc3B C24B 135.8(9) . . ?
C19B Sc3B C24B 65.3(2) . . ?
C23B Sc3B C24B 35.62(12) . . ?
C20B Sc3B C24B 94.6(3) . . ?
N1B Sc3B C18B 107.8(9) . . ?
C19B Sc3B C18B 35.93(17) . . ?
C23B Sc3B C18B 63.4(2) . . ?
C20B Sc3B C18B 62.6(2) . . ?
C24B Sc3B C18B 73.3(3) . . ?
N1B Sc3B C21B 133.1(8) . . ?
C19B Sc3B C21B 59.8(2) . . ?
C23B Sc3B C21B 58.5(2) . . ?
C20B Sc3B C21B 34.83(13) . . ?
C24B Sc3B C21B 89.8(3) . . ?
C18B Sc3B C21B 93.9(3) . . ?
N1B Sc3B C22B 156.8(9) . . ?
C19B Sc3B C22B 59.7(2) . . ?
C23B Sc3B C22B 34.92(13) . . ?
C20B Sc3B C22B 57.7(2) . . ?
C24B Sc3B C22B 57.47(18) . . ?
C18B Sc3B C22B 94.0(3) . . ?
C21B Sc3B C22B 34.26(14) . . ?
N1B Sc3B C25B 121.8(9) . . ?
C19B Sc3B C25B 93.4(3) . . ?
C23B Sc3B C25B 57.06(17) . . ?
C20B Sc3B C25B 111.2(3) . . ?
C24B Sc3B C25B 33.61(11) . . ?
C18B Sc3B C25B 106.9(3) . . ?
C21B Sc3B C25B 88.5(3) . . ?
C22B Sc3B C25B 55.68(19) . . ?
N1B Sc3B C26B 130.7(9) . . ?
C19B Sc3B C26B 90.0(3) . . ?
C23B Sc3B C26B 56.3(2) . . ?
C20B Sc3B C26B 89.8(3) . . ?
C24B Sc3B C26B 55.35(18) . . ?
C18B Sc3B C26B 119.4(3) . . ?
C21B Sc3B C26B 59.5(2) . . ?
C22B Sc3B C26B 33.17(14) . . ?
C25B Sc3B C26B 32.47(11) . . ?
N1B Sc3B C66B 108.9(8) . . ?
C19B Sc3B C66B 71.5(3) . . ?
C23B Sc3B C66B 59.4(2) . . ?
C20B Sc3B C66B 107.8(3) . . ?
C24B Sc3B C66B 32.62(13) . . ?
C18B Sc3B C66B 58.3(3) . . ?
C21B Sc3B C66B 117.9(3) . . ?
C22B Sc3B C66B 88.9(2) . . ?
C25B Sc3B C66B 56.98(17) . . ?
C26B Sc3B C66B 86.0(2) . . ?
N1B Sc3B C67B 99.3(8) . . ?
C19B Sc3B C67B 59.6(3) . . ?
C23B Sc3B C67B 68.6(3) . . ?
C20B Sc3B C67B 92.8(3) . . ?
C24B Sc3B C67B 57.6(2) . . ?
C18B Sc3B C67B 31.95(16) . . ?
C21B Sc3B C67B 118.8(3) . . ?
C22B Sc3B C67B 103.4(3) . . ?
C25B Sc3B C67B 87.0(3) . . ?
C26B Sc3B C67B 112.9(3) . . ?
C66B Sc3B C67B 30.60(14) . . ?
Sc2B N1B Sc1B 106.1(15) . . ?
Sc2B N1B Sc3B 102.8(12) . . ?
Sc1B N1B Sc3B 150.4(16) . . ?
C5B C1B C8B 108.16(9) . . ?
C5B C1B C2B 107.77(9) . . ?
C8B C1B C2B 119.61(9) . . ?
C5B C1B Sc1B 73.8(3) . . ?
C8B C1B Sc1B 71.5(2) . . ?
C2B C1B Sc1B 74.1(2) . . ?
C3B C2B C57B 119.58(8) . . ?
C3B C2B C1B 108.59(8) . . ?
C57B C2B C1B 118.94(9) . . ?
C3B C2B Sc1B 75.6(3) . . ?
C57B C2B Sc1B 86.8(3) . . ?
C1B C2B Sc1B 70.6(2) . . ?
C4B C3B C2B 107.18(8) . . ?
C4B C3B C40B 120.44(9) . . ?
C2B C3B C40B 120.59(9) . . ?
C4B C3B Sc1B 72.6(3) . . ?
C2B C3B Sc1B 70.1(3) . . ?
C40B C3B Sc1B 91.4(2) . . ?
C3B C4B C43B 119.61(8) . . ?
C3B C4B C5B 108.61(8) . . ?
C43B C4B C5B 118.88(9) . . ?
C3B C4B Sc1B 73.5(3) . . ?
C43B C4B Sc1B 89.2(3) . . ?
C5B C4B Sc1B 70.1(2) . . ?
C1B C5B C6B 108.09(9) . . ?
C1B C5B C4B 107.85(9) . . ?
C6B C5B C4B 119.44(9) . . ?
C1B C5B Sc1B 71.0(3) . . ?
C6B C5B Sc1B 72.6(3) . . ?
C4B C5B Sc1B 75.3(2) . . ?
C5B C6B C7B 107.83(8) . . ?
C5B C6B C56B 119.64(9) . . ?
C7B C6B C56B 119.96(9) . . ?
C5B C6B Sc1B 72.4(2) . . ?
C7B C6B Sc1B 74.5(2) . . ?
C56B C6B Sc1B 86.5(3) . . ?
C8B C7B C6B 107.78(9) . . ?
C8B C7B C12B 120.34(9) . . ?
C6B C7B C12B 120.04(9) . . ?
C8B C7B Sc1B 68.6(3) . . ?
C6B C7B Sc1B 70.8(2) . . ?
C12B C7B Sc1B 94.6(2) . . ?
C1B C8B C7B 107.73(8) . . ?
C1B C8B C9B 119.58(9) . . ?
C7B C8B C9B 119.60(9) . . ?
C1B C8B Sc1B 72.7(2) . . ?
C7B C8B Sc1B 76.4(3) . . ?
C9B C8B Sc1B 83.8(3) . . ?
C10B C9B C8B 117.84(9) . . ?
C10B C9B C58B 118.68(8) . . ?
C8B C9B C58B 118.66(9) . . ?
C10B C9B Sc1B 101.5(2) . . ?
C8B C9B Sc1B 62.70(18) . . ?
C58B C9B Sc1B 84.6(2) . . ?
C70B C10B C11B 108.04(9) . . ?
C70B C10B C9B 120.50(10) . . ?
C11B C10B C9B 120.88(11) . . ?
C10B C11B C16B 107.92(10) . . ?
C10B C11B C12B 119.88(12) . . ?
C16B C11B C12B 120.61(10) . . ?
C7B C12B C11B 118.17(10) . . ?
C7B C12B C13B 118.28(10) . . ?
C11B C12B C13B 118.90(9) . . ?
C55B C13B C14B 107.80(11) . . ?
C55B C13B C12B 119.86(12) . . ?
C14B C13B C12B 120.54(10) . . ?
C13B C14B C52B 107.63(11) . . ?
C13B C14B C15B 120.55(10) . . ?
C52B C14B C15B 120.13(12) . . ?
C16B C15B C14B 118.80(9) . . ?
C16B C15B C20B 118.33(9) . . ?
C14B C15B C20B 118.05(9) . . ?
C16B C15B Sc3B 92.4(3) . . ?
C14B C15B Sc3B 99.5(2) . . ?
C20B C15B Sc3B 56.42(17) . . ?
C11B C16B C17B 107.80(10) . . ?
C11B C16B C15B 120.55(10) . . ?
C17B C16B C15B 120.05(11) . . ?
C70B C17B C16B 107.96(10) . . ?
C70B C17B C18B 120.35(10) . . ?
C16B C17B C18B 120.56(11) . . ?
C67B C18B C19B 119.02(8) . . ?
C67B C18B C17B 118.70(9) . . ?
C19B C18B C17B 118.08(9) . . ?
C67B C18B Sc3B 85.3(2) . . ?
C19B C18B Sc3B 64.0(2) . . ?
C17B C18B Sc3B 100.9(2) . . ?
C23B C19B C20B 107.66(9) . . ?
C23B C19B C18B 119.54(9) . . ?
C20B C19B C18B 119.72(11) . . ?
C23B C19B Sc3B 75.2(2) . . ?
C20B C19B Sc3B 77.9(3) . . ?
C18B C19B Sc3B 80.1(3) . . ?
C19B C20B C21B 107.75(8) . . ?
C19B C20B C15B 119.85(10) . . ?
C21B C20B C15B 120.03(11) . . ?
C19B C20B Sc3B 65.7(3) . . ?
C21B C20B Sc3B 74.7(3) . . ?
C15B C20B Sc3B 92.8(2) . . ?
C22B C21B C20B 107.85(8) . . ?
C22B C21B C53B 119.15(10) . . ?
C20B C21B C53B 119.71(11) . . ?
C22B C21B Sc3B 73.15(19) . . ?
C20B C21B Sc3B 70.4(3) . . ?
C53B C21B Sc3B 88.6(3) . . ?
C23B C22B C21B 108.05(8) . . ?
C23B C22B C26B 107.75(9) . . ?
C21B C22B C26B 119.94(11) . . ?
C23B C22B Sc3B 67.6(3) . . ?
C21B C22B Sc3B 72.6(2) . . ?
C26B C22B Sc3B 78.7(2) . . ?
C22B C23B C24B 107.86(9) . . ?
C22B C23B C19B 108.26(9) . . ?
C24B C23B C19B 119.47(10) . . ?
C22B C23B Sc3B 77.5(3) . . ?
C24B C23B Sc3B 74.8(2) . . ?
C19B C23B Sc3B 67.9(2) . . ?
C25B C24B C66B 119.71(10) . . ?
C25B C24B C23B 108.61(9) . . ?
C66B C24B C23B 119.00(8) . . ?
C25B C24B Sc3B 79.8(3) . . ?
C66B C24B Sc3B 84.1(3) . . ?
C23B C24B Sc3B 69.6(2) . . ?
C26B C25B C24B 107.24(8) . . ?
C26B C25B C30B 120.53(9) . . ?
C24B C25B C30B 120.56(9) . . ?
C26B C25B Sc3B 74.9(3) . . ?
C24B C25B Sc3B 66.6(3) . . ?
C30B C25B Sc3B 92.77(19) . . ?
C27B C26B C25B 119.48(10) . . ?
C27B C26B C22B 118.83(9) . . ?
C25B C26B C22B 108.55(8) . . ?
C27B C26B Sc3B 91.7(2) . . ?
C25B C26B Sc3B 72.7(2) . . ?
C22B C26B Sc3B 68.09(19) . . ?
C54B C27B C28B 108.41(10) . . ?
C54B C27B C26B 120.63(10) . . ?
C28B C27B C26B 120.39(10) . . ?
C27B C28B C48B 107.47(9) . . ?
C27B C28B C29B 120.62(10) . . ?
C48B C28B C29B 120.44(9) . . ?
C28B C29B C30B 118.76(10) . . ?
C28B C29B C34B 117.01(8) . . ?
C30B C29B C34B 119.67(8) . . ?
C28B C29B Sc2B 105.40(19) . . ?
C30B C29B Sc2B 84.16(17) . . ?
C34B C29B Sc2B 60.44(13) . . ?
C25B C30B C29B 118.48(9) . . ?
C25B C30B C31B 118.40(8) . . ?
C29B C30B C31B 119.05(7) . . ?
C25B C30B Sc2B 123.84(14) . . ?
C29B C30B Sc2B 65.39(18) . . ?
C31B C30B Sc2B 66.2(2) . . ?
C65B C31B C32B 117.04(8) . . ?
C65B C31B C30B 118.94(10) . . ?
C32B C31B C30B 119.57(8) . . ?
C65B C31B Sc2B 106.43(18) . . ?
C32B C31B Sc2B 60.66(17) . . ?
C30B C31B Sc2B 83.2(2) . . ?
C62B C32B C33B 107.57(8) . . ?
C62B C32B C31B 119.30(10) . . ?
C33B C32B C31B 119.78(9) . . ?
C62B C32B Sc2B 77.1(3) . . ?
C33B C32B Sc2B 69.19(18) . . ?
C31B C32B Sc2B 85.96(19) . . ?
C37B C33B C34B 108.14(9) . . ?
C37B C33B C32B 108.07(9) . . ?
C34B C33B C32B 119.99(10) . . ?
C37B C33B Sc2B 73.4(2) . . ?
C34B C33B Sc2B 72.9(3) . . ?
C32B C33B Sc2B 73.8(2) . . ?
C35B C34B C33B 107.55(8) . . ?
C35B C34B C29B 119.19(10) . . ?
C33B C34B C29B 119.65(9) . . ?
C35B C34B Sc2B 76.20(18) . . ?
C33B C34B Sc2B 70.0(2) . . ?
C29B C34B Sc2B 85.8(2) . . ?
C36B C35B C34B 108.51(8) . . ?
C36B C35B C47B 120.04(9) . . ?
C34B C35B C47B 120.06(10) . . ?
C36B C35B Sc2B 71.0(2) . . ?
C34B C35B Sc2B 68.10(16) . . ?
C47B C35B Sc2B 95.7(2) . . ?
C35B C36B C37B 107.64(8) . . ?
C35B C36B C41B 119.34(10) . . ?
C37B C36B C41B 119.74(9) . . ?
C35B C36B Sc2B 73.8(3) . . ?
C37B C36B Sc2B 69.6(2) . . ?
C41B C36B Sc2B 88.75(17) . . ?
C33B C37B C38B 108.05(9) . . ?
C33B C37B C36B 108.02(9) . . ?
C38B C37B C36B 119.78(10) . . ?
C33B C37B Sc2B 69.80(19) . . ?
C38B C37B Sc2B 75.3(3) . . ?
C36B C37B Sc2B 74.2(2) . . ?
C62B C38B C37B 107.64(8) . . ?
C62B C38B C39B 119.30(10) . . ?
C37B C38B C39B 119.86(9) . . ?
C62B C38B Sc2B 74.65(17) . . ?
C37B C38B Sc2B 68.8(2) . . ?
C39B C38B Sc2B 88.88(17) . . ?
C61B C39B C38B 117.07(8) . . ?
C61B C39B C40B 118.69(9) . . ?
C38B C39B C40B 119.55(8) . . ?
C61B C39B Sc2B 105.68(16) . . ?
C38B C39B Sc2B 59.32(13) . . ?
C40B C39B Sc2B 84.65(18) . . ?
C3B C40B C41B 118.58(9) . . ?
C3B C40B C39B 118.46(9) . . ?
C41B C40B C39B 119.19(10) . . ?
C42B C41B C40B 118.72(9) . . ?
C42B C41B C36B 116.95(8) . . ?
C40B C41B C36B 119.64(8) . . ?
C42B C41B Sc2B 104.9(2) . . ?
C40B C41B Sc2B 85.6(2) . . ?
C36B C41B Sc2B 59.09(14) . . ?
C43B C42B C46B 107.61(9) . . ?
C43B C42B C41B 120.57(10) . . ?
C46B C42B C41B 120.49(10) . . ?
C44B C43B C42B 108.39(9) . . ?
C44B C43B C4B 120.58(9) . . ?
C42B C43B C4B 120.32(9) . . ?
C44B C43B Sc1B 82.5(2) . . ?
C42B C43B Sc1B 97.86(18) . . ?
C4B C43B Sc1B 60.2(2) . . ?
C43B C44B C45B 107.71(9) . . ?
C43B C44B C56B 119.85(10) . . ?
C45B C44B C56B 121.00(11) . . ?
C44B C45B C46B 108.00(10) . . ?
C44B C45B C50B 120.48(12) . . ?
C46B C45B C50B 120.35(10) . . ?
C42B C46B C45B 107.85(9) . . ?
C42B C46B C47B 120.11(10) . . ?
C45B C46B C47B 120.34(10) . . ?
C35B C47B C46B 118.91(9) . . ?
C35B C47B C48B 118.93(9) . . ?
C46B C47B C48B 118.40(10) . . ?
C28B C48B C49B 107.87(10) . . ?
C28B C48B C47B 120.16(10) . . ?
C49B C48B C47B 120.38(9) . . ?
C54B C49B C48B 108.15(10) . . ?
C54B C49B C50B 120.37(11) . . ?
C48B C49B C50B 120.29(11) . . ?
C45B C50B C49B 118.47(10) . . ?
C45B C50B C51B 118.49(11) . . ?
C49B C50B C51B 118.61(11) . . ?
C52B C51B C55B 108.14(11) . . ?
C52B C51B C50B 120.64(11) . . ?
C55B C51B C50B 120.53(12) . . ?
C51B C52B C14B 108.16(11) . . ?
C51B C52B C53B 120.68(11) . . ?
C14B C52B C53B 120.84(11) . . ?
C21B C53B C52B 118.02(9) . . ?
C21B C53B C54B 118.81(9) . . ?
C52B C53B C54B 118.11(10) . . ?
C21B C53B Sc3B 60.23(18) . . ?
C52B C53B Sc3B 99.17(19) . . ?
C54B C53B Sc3B 88.7(2) . . ?
C49B C54B C27B 107.66(10) . . ?
C49B C54B C53B 121.10(10) . . ?
C27B C54B C53B 120.26(11) . . ?
C51B C55B C13B 108.11(10) . . ?
C51B C55B C56B 120.73(12) . . ?
C13B C55B C56B 120.74(11) . . ?
C6B C56B C44B 119.02(9) . . ?
C6B C56B C55B 117.92(10) . . ?
C44B C56B C55B 118.20(9) . . ?
C6B C56B Sc1B 61.4(2) . . ?
C44B C56B Sc1B 86.2(2) . . ?
C55B C56B Sc1B 101.11(19) . . ?
C58B C57B C61B 108.41(9) . . ?
C58B C57B C2B 120.52(9) . . ?
C61B C57B C2B 120.25(9) . . ?
C58B C57B Sc1B 81.0(2) . . ?
C61B C57B Sc1B 97.81(19) . . ?
C2B C57B Sc1B 61.39(17) . . ?
C57B C58B C59B 107.59(8) . . ?
C57B C58B C9B 120.16(8) . . ?
C59B C58B C9B 120.61(9) . . ?
C57B C58B Sc1B 69.75(18) . . ?
C59B C58B Sc1B 105.58(17) . . ?
C9B C58B Sc1B 65.06(18) . . ?
C58B C59B C60B 108.12(10) . . ?
C58B C59B C69B 120.50(10) . . ?
C60B C59B C69B 120.37(10) . . ?
C61B C60B C59B 108.01(10) . . ?
C61B C60B C63B 120.19(10) . . ?
C59B C60B C63B 120.39(10) . . ?
C60B C61B C57B 107.44(10) . . ?
C60B C61B C39B 120.49(10) . . ?
C57B C61B C39B 120.70(10) . . ?
C38B C62B C32B 108.51(8) . . ?
C38B C62B C63B 120.11(10) . . ?
C32B C62B C63B 120.07(10) . . ?
C38B C62B Sc2B 70.66(16) . . ?
C32B C62B Sc2B 67.71(19) . . ?
C63B C62B Sc2B 96.58(17) . . ?
C64B C63B C62B 119.00(9) . . ?
C64B C63B C60B 118.42(10) . . ?
C62B C63B C60B 118.74(9) . . ?
C65B C64B C68B 107.95(10) . . ?
C65B C64B C63B 120.01(10) . . ?
C68B C64B C63B 120.38(9) . . ?
C66B C65B C64B 107.55(9) . . ?
C66B C65B C31B 120.62(10) . . ?
C64B C65B C31B 120.32(9) . . ?
C65B C66B C67B 108.40(9) . . ?
C65B C66B C24B 120.19(9) . . ?
C67B C66B C24B 120.44(8) . . ?
C65B C66B Sc3B 99.18(19) . . ?
C67B C66B Sc3B 77.6(2) . . ?
C24B C66B Sc3B 63.3(2) . . ?
C66B C67B C68B 107.65(9) . . ?
C66B C67B C18B 119.89(8) . . ?
C68B C67B C18B 120.55(9) . . ?
C66B C67B Sc3B 71.82(17) . . ?
C68B C67B Sc3B 105.6(2) . . ?
C18B C67B Sc3B 62.73(18) . . ?
C67B C68B C64B 108.02(9) . . ?
C67B C68B C69B 120.27(10) . . ?
C64B C68B C69B 120.19(10) . . ?
C68B C69B C59B 118.36(9) . . ?
C68B C69B C70B 118.94(9) . . ?
C59B C69B C70B 118.71(9) . . ?
C17B C70B C10B 108.10(10) . . ?
C17B C70B C69B 120.42(10) . . ?
C10B C70B C69B 120.34(11) . . ?
C2S C1S C3S 119.4(8) . . ?
C2S C1S H1S 120.3 . . ?
C3S C1S H1S 120.3 . . ?
C1S C2S C3S 120.9(8) . 3_756 ?
C1S C2S H2S 119.6 . . ?
C3S C2S H2S 119.6 3_756 . ?
C2S C3S C1S 119.7(8) 3_756 . ?
C2S C3S H3S 120.1 3_756 . ?
C1S C3S H3S 120.1 . . ?
C9S C4S C5S 119.7(7) . . ?
C9S C4S C10S 121.5(6) . . ?
C5S C4S C10S 118.9(6) . . ?
C4S C5S C6S 119.4(6) . . ?
C4S C5S H5S 120.3 . . ?
C6S C5S H5S 120.3 . . ?
C7S C6S C5S 119.8(5) . . ?
C7S C6S H6S 120.1 . . ?
C5S C6S H6S 120.1 . . ?
C6S C7S C8S 120.8(6) . . ?
C6S C7S H7S 119.6 . . ?
C8S C7S H7S 119.6 . . ?
C7S C8S C9S 119.1(6) . . ?
C7S C8S H8S 120.4 . . ?
C9S C8S H8S 120.4 . . ?
C4S C9S C8S 121.2(5) . . ?
C4S C9S H9S 119.4 . . ?
C8S C9S H9S 119.4 . . ?
C4S C10S H10A 109.5 . . ?
C4S C10S H10B 109.5 . . ?
H10A C10S H10B 109.5 . . ?
C4S C10S H10C 109.5 . . ?
H10A C10S H10C 109.5 . . ?
H10B C10S H10C 109.5 . . ?
N1P Ni1P N2P 90.42(7) . . ?
N1P Ni1P N3P 178.21(8) . . ?
N2P Ni1P N3P 89.91(7) . . ?
N1P Ni1P N4P 89.70(7) . . ?
N2P Ni1P N4P 176.78(7) . . ?
N3P Ni1P N4P 89.87(7) . . ?
C1P N1P C4P 103.69(13) . . ?
C1P N1P Ni1P 128.69(10) . . ?
C4P N1P Ni1P 127.56(12) . . ?
C9P N2P C6P 104.01(13) . . ?
C9P N2P Ni1P 128.36(10) . . ?
C6P N2P Ni1P 127.60(12) . . ?
C14P N3P C11P 103.83(13) . . ?
C14P N3P Ni1P 127.67(12) . . ?
C11P N3P Ni1P 128.49(10) . . ?
C16P N4P C19P 104.08(13) . . ?
C16P N4P Ni1P 128.23(13) . . ?
C19P N4P Ni1P 127.68(10) . . ?
C20P C1P N1P 123.96(16) . . ?
C20P C1P C2P 124.28(18) . . ?
N1P C1P C2P 111.72(13) . . ?
C3P C2P C1P 106.96(15) . . ?
C3P C2P C21P 128.54(18) . . ?
C1P C2P C21P 124.42(18) . . ?
C2P C3P C4P 106.88(13) . . ?
C2P C3P C23P 129.27(19) . . ?
C4P C3P C23P 123.75(18) . . ?
C5P C4P N1P 124.82(16) . . ?
C5P C4P C3P 124.40(15) . . ?
N1P C4P C3P 110.74(14) . . ?
C4P C5P C6P 124.68(17) . . ?
C4P C5P H5P 117.7 . . ?
C6P C5P H5P 117.7 . . ?
C5P C6P N2P 124.89(16) . . ?
C5P C6P C7P 123.95(15) . . ?
N2P C6P C7P 111.13(14) . . ?
C8P C7P C6P 107.23(13) . . ?
C8P C7P C25P 128.2(2) . . ?
C6P C7P C25P 124.51(19) . . ?
C7P C8P C9P 105.85(15) . . ?
C7P C8P C27P 128.98(18) . . ?
C9P C8P C27P 125.02(18) . . ?
N2P C9P C10P 124.32(15) . . ?
N2P C9P C8P 111.75(13) . . ?
C10P C9P C8P 123.92(18) . . ?
C11P C10P C9P 124.7(2) . . ?
C11P C10P H10P 117.7 . . ?
C9P C10P H10P 117.7 . . ?
C10P C11P N3P 124.18(15) . . ?
C10P C11P C12P 124.62(18) . . ?
N3P C11P C12P 111.19(13) . . ?
C13P C12P C11P 107.04(15) . . ?
C13P C12P C29P 127.41(18) . . ?
C11P C12P C29P 125.51(18) . . ?
C12P C13P C14P 106.41(13) . . ?
C12P C13P C31P 129.03(19) . . ?
C14P C13P C31P 124.52(18) . . ?
C15P C14P N3P 124.99(16) . . ?
C15P C14P C13P 123.47(15) . . ?
N3P C14P C13P 111.53(14) . . ?
C16P C15P C14P 124.70(17) . . ?
C16P C15P H15P 117.7 . . ?
C14P C15P H15P 117.7 . . ?
C15P C16P N4P 124.52(16) . . ?
C15P C16P C17P 123.98(15) . . ?
N4P C16P C17P 111.50(15) . . ?
C18P C17P C16P 106.36(13) . . ?
C18P C17P C33P 128.9(2) . . ?
C16P C17P C33P 124.66(18) . . ?
C17P C18P C19P 107.09(15) . . ?
C17P C18P C35P 129.61(18) . . ?
C19P C18P C35P 123.21(18) . . ?
C20P C19P N4P 124.96(16) . . ?
C20P C19P C18P 124.07(18) . . ?
N4P C19P C18P 110.97(13) . . ?
C19P C20P C1P 125.0(2) . . ?
C19P C20P H20P 117.5 . . ?
C1P C20P H20P 117.5 . . ?
C2P C21P C22P 112.23(19) . . ?
C2P C21P H21A 109.2 . . ?
C22P C21P H21A 109.2 . . ?
C2P C21P H21B 109.2 . . ?
C22P C21P H21B 109.2 . . ?
H21A C21P H21B 107.9 . . ?
C21P C22P H22A 109.5 . . ?
C21P C22P H22B 109.5 . . ?
H22A C22P H22B 109.5 . . ?
C21P C22P H22C 109.5 . . ?
H22A C22P H22C 109.5 . . ?
H22B C22P H22C 109.5 . . ?
C3P C23P C24P 112.48(19) . . ?
C3P C23P H23A 109.1 . . ?
C24P C23P H23A 109.1 . . ?
C3P C23P H23B 109.1 . . ?
C24P C23P H23B 109.1 . . ?
H23A C23P H23B 107.8 . . ?
C23P C24P H24A 109.5 . . ?
C23P C24P H24B 109.5 . . ?
H24A C24P H24B 109.5 . . ?
C23P C24P H24C 109.5 . . ?
H24A C24P H24C 109.5 . . ?
H24B C24P H24C 109.5 . . ?
C7P C25P C26P 112.1(2) . . ?
C7P C25P H25A 109.2 . . ?
C26P C25P H25A 109.2 . . ?
C7P C25P H25B 109.2 . . ?
C26P C25P H25B 109.2 . . ?
H25A C25P H25B 107.9 . . ?
C25P C26P H26A 109.5 . . ?
C25P C26P H26B 109.5 . . ?
H26A C26P H26B 109.5 . . ?
C25P C26P H26C 109.5 . . ?
H26A C26P H26C 109.5 . . ?
H26B C26P H26C 109.5 . . ?
C8P C27P C28P 112.3(2) . . ?
C8P C27P H27A 109.2 . . ?
C28P C27P H27A 109.2 . . ?
C8P C27P H27B 109.2 . . ?
C28P C27P H27B 109.2 . . ?
H27A C27P H27B 107.9 . . ?
C27P C28P H28A 109.5 . . ?
C27P C28P H28B 109.5 . . ?
H28A C28P H28B 109.5 . . ?
C27P C28P H28C 109.5 . . ?
H28A C28P H28C 109.5 . . ?
H28B C28P H28C 109.5 . . ?
C12P C29P C30P 112.9(2) . . ?
C12P C29P H29A 109.0 . . ?
C30P C29P H29A 109.0 . . ?
C12P C29P H29B 109.0 . . ?
C30P C29P H29B 109.0 . . ?
H29A C29P H29B 107.8 . . ?
C29P C30P H30A 109.5 . . ?
C29P C30P H30B 109.5 . . ?
H30A C30P H30B 109.5 . . ?
C29P C30P H30C 109.5 . . ?
H30A C30P H30C 109.5 . . ?
H30B C30P H30C 109.5 . . ?
C13P C31P C32P 113.36(19) . . ?
C13P C31P H31A 108.9 . . ?
C32P C31P H31A 108.9 . . ?
C13P C31P H31B 108.9 . . ?
C32P C31P H31B 108.9 . . ?
H31A C31P H31B 107.7 . . ?
C31P C32P H32A 109.5 . . ?
C31P C32P H32B 109.5 . . ?
H32A C32P H32B 109.5 . . ?
C31P C32P H32C 109.5 . . ?
H32A C32P H32C 109.5 . . ?
H32B C32P H32C 109.5 . . ?
C17P C33P C34P 112.6(2) . . ?
C17P C33P H33A 109.1 . . ?
C34P C33P H33A 109.1 . . ?
C17P C33P H33B 109.1 . . ?
C34P C33P H33B 109.1 . . ?
H33A C33P H33B 107.8 . . ?
C33P C34P H34A 109.5 . . ?
C33P C34P H34B 109.5 . . ?
H34A C34P H34B 109.5 . . ?
C33P C34P H34C 109.5 . . ?
H34A C34P H34C 109.5 . . ?
H34B C34P H34C 109.5 . . ?
C18P C35P C36P 111.5(2) . . ?
C18P C35P H35A 109.3 . . ?
C36P C35P H35A 109.3 . . ?
C18P C35P H35B 109.3 . . ?
C36P C35P H35B 109.3 . . ?
H35A C35P H35B 108.0 . . ?
C35P C36P H36A 109.5 . . ?
C35P C36P H36B 109.5 . . ?
H36A C36P H36B 109.5 . . ?
C35P C36P H36C 109.5 . . ?
H36A C36P H36C 109.5 . . ?
H36B C36P H36C 109.5 . . ?
N1Q Ni1Q N2Q 90.42(7) . . ?
N1Q Ni1Q N3Q 178.07(10) . . ?
N2Q Ni1Q N3Q 89.91(7) . . ?
N1Q Ni1Q N4Q 89.70(7) . . ?
N2Q Ni1Q N4Q 176.89(11) . . ?
N3Q Ni1Q N4Q 89.87(7) . . ?
C1Q N1Q C4Q 103.69(13) . . ?
C1Q N1Q Ni1Q 128.69(10) . . ?
C4Q N1Q Ni1Q 127.56(12) . . ?
C9Q N2Q C6Q 104.01(13) . . ?
C9Q N2Q Ni1Q 128.38(10) . . ?
C6Q N2Q Ni1Q 127.60(12) . . ?
C14Q N3Q C11Q 103.82(13) . . ?
C14Q N3Q Ni1Q 127.66(12) . . ?
C11Q N3Q Ni1Q 128.48(10) . . ?
C16Q N4Q C19Q 104.08(13) . . ?
C16Q N4Q Ni1Q 128.23(13) . . ?
C19Q N4Q Ni1Q 127.68(10) . . ?
C20Q C1Q N1Q 123.97(16) . . ?
C20Q C1Q C2Q 124.28(18) . . ?
N1Q C1Q C2Q 111.72(13) . . ?
C3Q C2Q C1Q 106.96(15) . . ?
C3Q C2Q C21Q 128.54(18) . . ?
C1Q C2Q C21Q 124.42(18) . . ?
C2Q C3Q C4Q 106.88(13) . . ?
C2Q C3Q C23Q 129.27(19) . . ?
C4Q C3Q C23Q 123.75(18) . . ?
C5Q C4Q N1Q 124.82(16) . . ?
C5Q C4Q C3Q 124.40(15) . . ?
N1Q C4Q C3Q 110.74(14) . . ?
C4Q C5Q C6Q 124.68(17) . . ?
C4Q C5Q H5Q 117.7 . . ?
C6Q C5Q H5Q 117.7 . . ?
C5Q C6Q N2Q 124.88(16) . . ?
C5Q C6Q C7Q 123.95(15) . . ?
N2Q C6Q C7Q 111.13(14) . . ?
C8Q C7Q C6Q 107.23(13) . . ?
C8Q C7Q C25Q 128.2(2) . . ?
C6Q C7Q C25Q 124.51(19) . . ?
C7Q C8Q C9Q 105.86(15) . . ?
C7Q C8Q C27Q 128.97(18) . . ?
C9Q C8Q C27Q 125.02(18) . . ?
N2Q C9Q C10Q 124.33(15) . . ?
N2Q C9Q C8Q 111.75(13) . . ?
C10Q C9Q C8Q 123.92(18) . . ?
C11Q C10Q C9Q 124.7(2) . . ?
C11Q C10Q H10Q 117.7 . . ?
C9Q C10Q H10Q 117.7 . . ?
C10Q C11Q N3Q 124.17(15) . . ?
C10Q C11Q C12Q 124.62(17) . . ?
N3Q C11Q C12Q 111.18(13) . . ?
C13Q C12Q C11Q 107.03(15) . . ?
C13Q C12Q C29Q 127.41(18) . . ?
C11Q C12Q C29Q 125.51(18) . . ?
C12Q C13Q C14Q 106.41(13) . . ?
C12Q C13Q C31Q 129.03(19) . . ?
C14Q C13Q C31Q 124.52(18) . . ?
C15Q C14Q N3Q 124.98(16) . . ?
C15Q C14Q C13Q 123.46(15) . . ?
N3Q C14Q C13Q 111.53(14) . . ?
C16Q C15Q C14Q 124.69(17) . . ?
C16Q C15Q H15Q 117.7 . . ?
C14Q C15Q H15Q 117.7 . . ?
C15Q C16Q N4Q 124.51(16) . . ?
C15Q C16Q C17Q 123.98(15) . . ?
N4Q C16Q C17Q 111.49(15) . . ?
C18Q C17Q C16Q 106.36(13) . . ?
C18Q C17Q C33Q 128.9(2) . . ?
C16Q C17Q C33Q 124.66(18) . . ?
C17Q C18Q C19Q 107.09(15) . . ?
C17Q C18Q C35Q 129.61(18) . . ?
C19Q C18Q C35Q 123.21(18) . . ?
C20Q C19Q N4Q 124.96(16) . . ?
C20Q C19Q C18Q 124.07(18) . . ?
N4Q C19Q C18Q 110.97(13) . . ?
C19Q C20Q C1Q 125.0(2) . . ?
C19Q C20Q H20Q 117.5 . . ?
C1Q C20Q H20Q 117.5 . . ?
C2Q C21Q C22Q 112.23(19) . . ?
C2Q C21Q H21C 109.2 . . ?
C22Q C21Q H21C 109.2 . . ?
C2Q C21Q H21D 109.2 . . ?
C22Q C21Q H21D 109.2 . . ?
H21C C21Q H21D 107.9 . . ?
C21Q C22Q H22D 109.5 . . ?
C21Q C22Q H22E 109.5 . . ?
H22D C22Q H22E 109.5 . . ?
C21Q C22Q H22F 109.5 . . ?
H22D C22Q H22F 109.5 . . ?
H22E C22Q H22F 109.5 . . ?
C3Q C23Q C24Q 112.48(19) . . ?
C3Q C23Q H23C 109.1 . . ?
C24Q C23Q H23C 109.1 . . ?
C3Q C23Q H23D 109.1 . . ?
C24Q C23Q H23D 109.1 . . ?
H23C C23Q H23D 107.8 . . ?
C23Q C24Q H24D 109.5 . . ?
C23Q C24Q H24E 109.5 . . ?
H24D C24Q H24E 109.5 . . ?
C23Q C24Q H24F 109.5 . . ?
H24D C24Q H24F 109.5 . . ?
H24E C24Q H24F 109.5 . . ?
C7Q C25Q C26Q 112.1(2) . . ?
C7Q C25Q H25C 109.2 . . ?
C26Q C25Q H25C 109.2 . . ?
C7Q C25Q H25D 109.2 . . ?
C26Q C25Q H25D 109.2 . . ?
H25C C25Q H25D 107.9 . . ?
C25Q C26Q H26D 109.5 . . ?
C25Q C26Q H26E 109.5 . . ?
H26D C26Q H26E 109.5 . . ?
C25Q C26Q H26F 109.5 . . ?
H26D C26Q H26F 109.5 . . ?
H26E C26Q H26F 109.5 . . ?
C8Q C27Q C28Q 112.3(2) . . ?
C8Q C27Q H27C 109.2 . . ?
C28Q C27Q H27C 109.2 . . ?
C8Q C27Q H27D 109.2 . . ?
C28Q C27Q H27D 109.1 . . ?
H27C C27Q H27D 107.9 . . ?
C27Q C28Q H28D 109.5 . . ?
C27Q C28Q H28E 109.5 . . ?
H28D C28Q H28E 109.5 . . ?
C27Q C28Q H28F 109.5 . . ?
H28D C28Q H28F 109.5 . . ?
H28E C28Q H28F 109.5 . . ?
C12Q C29Q C30Q 112.9(2) . . ?
C12Q C29Q H29C 109.0 . . ?
C30Q C29Q H29C 109.0 . . ?
C12Q C29Q H29D 109.0 . . ?
C30Q C29Q H29D 109.0 . . ?
H29C C29Q H29D 107.8 . . ?
C29Q C30Q H30D 109.5 . . ?
C29Q C30Q H30E 109.5 . . ?
H30D C30Q H30E 109.5 . . ?
C29Q C30Q H30F 109.5 . . ?
H30D C30Q H30F 109.5 . . ?
H30E C30Q H30F 109.5 . . ?
C13Q C31Q C32Q 113.36(19) . . ?
C13Q C31Q H31C 108.9 . . ?
C32Q C31Q H31C 108.9 . . ?
C13Q C31Q H31D 108.9 . . ?
C32Q C31Q H31D 108.9 . . ?
H31C C31Q H31D 107.7 . . ?
C31Q C32Q H32D 109.5 . . ?
C31Q C32Q H32E 109.5 . . ?
H32D C32Q H32E 109.5 . . ?
C31Q C32Q H32F 109.5 . . ?
H32D C32Q H32F 109.5 . . ?
H32E C32Q H32F 109.5 . . ?
C17Q C33Q C34Q 112.6(2) . . ?
C17Q C33Q H33C 109.1 . . ?
C34Q C33Q H33C 109.1 . . ?
C17Q C33Q H33D 109.1 . . ?
C34Q C33Q H33D 109.1 . . ?
H33C C33Q H33D 107.8 . . ?
C33Q C34Q H34D 109.5 . . ?
C33Q C34Q H34E 109.5 . . ?
H34D C34Q H34E 109.5 . . ?
C33Q C34Q H34F 109.5 . . ?
H34D C34Q H34F 109.5 . . ?
H34E C34Q H34F 109.5 . . ?
C18Q C35Q C36Q 111.5(2) . . ?
C18Q C35Q H35C 109.3 . . ?
C36Q C35Q H35C 109.3 . . ?
C18Q C35Q H35D 109.3 . . ?
C36Q C35Q H35D 109.3 . . ?
H35C C35Q H35D 108.0 . . ?
C35Q C36Q H36D 109.5 . . ?
C35Q C36Q H36E 109.5 . . ?
H36D C36Q H36E 109.5 . . ?
C35Q C36Q H36F 109.5 . . ?
H36D C36Q H36F 109.5 . . ?
H36E C36Q H36F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5A C1A C2A C3A 0.10(13) . . . . ?
C8A C1A C2A C3A -123.86(11) . . . . ?
Sc1A C1A C2A C3A -66.14(9) . . . . ?
C5A C1A C2A C57A 141.47(11) . . . . ?
C8A C1A C2A C57A 17.51(16) . . . . ?
Sc1A C1A C2A C57A 75.23(10) . . . . ?
C5A C1A C2A Sc1A 66.24(8) . . . . ?
C8A C1A C2A Sc1A -57.72(9) . . . . ?
C57A C2A C3A C4A -141.29(11) . . . . ?
C1A C2A C3A C4A -0.21(14) . . . . ?
Sc1A C2A C3A C4A -62.64(9) . . . . ?
C57A C2A C3A C40A 1.72(19) . . . . ?
C1A C2A C3A C40A 142.80(13) . . . . ?
Sc1A C2A C3A C40A 80.36(14) . . . . ?
C57A C2A C3A Sc1A -78.64(11) . . . . ?
C1A C2A C3A Sc1A 62.44(9) . . . . ?
C2A C3A C4A C43A 141.27(11) . . . . ?
C40A C3A C4A C43A -1.80(19) . . . . ?
Sc1A C3A C4A C43A 79.21(10) . . . . ?
C2A C3A C4A C5A 0.24(14) . . . . ?
C40A C3A C4A C5A -142.84(13) . . . . ?
Sc1A C3A C4A C5A -61.83(9) . . . . ?
C2A C3A C4A Sc1A 62.07(9) . . . . ?
C40A C3A C4A Sc1A -81.01(13) . . . . ?
C8A C1A C5A C6A 0.26(12) . . . . ?
C2A C1A C5A C6A -130.37(10) . . . . ?
Sc1A C1A C5A C6A -62.48(8) . . . . ?
C8A C1A C5A C4A 130.68(10) . . . . ?
C2A C1A C5A C4A 0.05(13) . . . . ?
Sc1A C1A C5A C4A 67.94(9) . . . . ?
C8A C1A C5A Sc1A 62.74(8) . . . . ?
C2A C1A C5A Sc1A -67.90(9) . . . . ?
C3A C4A C5A C1A -0.18(13) . . . . ?
C43A C4A C5A C1A -141.54(10) . . . . ?
Sc1A C4A C5A C1A -65.34(8) . . . . ?
C3A C4A C5A C6A 123.62(11) . . . . ?
C43A C4A C5A C6A -17.75(15) . . . . ?
Sc1A C4A C5A C6A 58.45(9) . . . . ?
C3A C4A C5A Sc1A 65.17(9) . . . . ?
C43A C4A C5A Sc1A -76.20(10) . . . . ?
C1A C5A C6A C7A -4.13(12) . . . . ?
C4A C5A C6A C7A -127.81(10) . . . . ?
Sc1A C5A C6A C7A -67.05(8) . . . . ?
C1A C5A C6A C56A 137.75(10) . . . . ?
C4A C5A C6A C56A 14.07(15) . . . . ?
Sc1A C5A C6A C56A 74.83(10) . . . . ?
C1A C5A C6A Sc1A 62.92(8) . . . . ?
C4A C5A C6A Sc1A -60.76(9) . . . . ?
C5A C6A C7A C8A 6.41(12) . . . . ?
C56A C6A C7A C8A -135.32(10) . . . . ?
Sc1A C6A C7A C8A -59.93(8) . . . . ?
C5A C6A C7A C12A 149.38(13) . . . . ?
C56A C6A C7A C12A 7.64(17) . . . . ?
Sc1A C6A C7A C12A 83.04(13) . . . . ?
C5A C6A C7A Sc1A 66.34(8) . . . . ?
C56A C6A C7A Sc1A -75.40(10) . . . . ?
C5A C1A C8A C7A 3.71(12) . . . . ?
C2A C1A C8A C7A 127.48(11) . . . . ?
Sc1A C1A C8A C7A 67.63(8) . . . . ?
C5A C1A C8A C9A -137.34(10) . . . . ?
C2A C1A C8A C9A -13.57(16) . . . . ?
Sc1A C1A C8A C9A -73.42(10) . . . . ?
C5A C1A C8A Sc1A -63.92(8) . . . . ?
C2A C1A C8A Sc1A 59.86(10) . . . . ?
C6A C7A C8A C1A -6.24(12) . . . . ?
C12A C7A C8A C1A -149.08(13) . . . . ?
Sc1A C7A C8A C1A -66.53(8) . . . . ?
C6A C7A C8A C9A 134.80(10) . . . . ?
C12A C7A C8A C9A -8.04(18) . . . . ?
Sc1A C7A C8A C9A 74.52(10) . . . . ?
C6A C7A C8A Sc1A 60.28(8) . . . . ?
C12A C7A C8A Sc1A -82.55(13) . . . . ?
C1A C8A C9A C10A 154.90(12) . . . . ?
C7A C8A C9A C10A 18.42(16) . . . . ?
Sc1A C8A C9A C10A 87.64(11) . . . . ?
C1A C8A C9A C58A -0.22(15) . . . . ?
C7A C8A C9A C58A -136.69(11) . . . . ?
Sc1A C8A C9A C58A -67.48(10) . . . . ?
C1A C8A C9A Sc1A 67.26(9) . . . . ?
C7A C8A C9A Sc1A -69.21(10) . . . . ?
C8A C9A C10A C70A -152.91(13) . . . . ?
C58A C9A C10A C70A 2.2(2) . . . . ?
Sc1A C9A C10A C70A -88.85(14) . . . . ?
C8A C9A C10A C11A -12.5(2) . . . . ?
C58A C9A C10A C11A 142.65(14) . . . . ?
Sc1A C9A C10A C11A 51.59(15) . . . . ?
C70A C10A C11A C16A -2.7(2) . . . . ?
C9A C10A C11A C16A -147.43(14) . . . . ?
C70A C10A C11A C12A 140.73(16) . . . . ?
C9A C10A C11A C12A -4.0(2) . . . . ?
C8A C7A C12A C11A -8.5(2) . . . . ?
C6A C7A C12A C11A -146.83(15) . . . . ?
Sc1A C7A C12A C11A -77.30(17) . . . . ?
C8A C7A C12A C13A 147.11(15) . . . . ?
C6A C7A C12A C13A 8.7(2) . . . . ?
Sc1A C7A C12A C13A 78.28(17) . . . . ?
C10A C11A C12A C7A 14.5(2) . . . . ?
C16A C11A C12A C7A 153.30(16) . . . . ?
C10A C11A C12A C13A -140.90(17) . . . . ?
C16A C11A C12A C13A -2.1(3) . . . . ?
C7A C12A C13A C55A -14.8(3) . . . . ?
C11A C12A C13A C55A 140.61(18) . . . . ?
C7A C12A C13A C14A -153.21(17) . . . . ?
C11A C12A C13A C14A 2.2(3) . . . . ?
C55A C13A C14A C52A 0.0(2) . . . . ?
C12A C13A C14A C52A 142.81(18) . . . . ?
C55A C13A C14A C15A -143.05(16) . . . . ?
C12A C13A C14A C15A -0.2(3) . . . . ?
C13A C14A C15A C16A -1.8(2) . . . . ?
C52A C14A C15A C16A -140.28(16) . . . . ?
C13A C14A C15A C20A 153.27(16) . . . . ?
C52A C14A C15A C20A 14.7(2) . . . . ?
C13A C14A C15A Sc3A 99.00(16) . . . . ?
C52A C14A C15A Sc3A -39.53(16) . . . . ?
C10A C11A C16A C17A 0.1(2) . . . . ?
C12A C11A C16A C17A -143.01(17) . . . . ?
C10A C11A C16A C15A 143.21(15) . . . . ?
C12A C11A C16A C15A 0.1(3) . . . . ?
C14A C15A C16A C11A 1.8(2) . . . . ?
C20A C15A C16A C11A -153.14(15) . . . . ?
Sc3A C15A C16A C11A -98.12(15) . . . . ?
C14A C15A C16A C17A 140.54(15) . . . . ?
C20A C15A C16A C17A -14.4(2) . . . . ?
Sc3A C15A C16A C17A 40.59(15) . . . . ?
C11A C16A C17A C70A 2.6(2) . . . . ?
C15A C16A C17A C70A -140.80(15) . . . . ?
C11A C16A C17A C18A 146.49(15) . . . . ?
C15A C16A C17A C18A 3.1(2) . . . . ?
C70A C17A C18A C67A -3.7(2) . . . . ?
C16A C17A C18A C67A -143.24(14) . . . . ?
C70A C17A C18A C19A 153.06(15) . . . . ?
C16A C17A C18A C19A 13.5(2) . . . . ?
C70A C17A C18A Sc3A 89.49(15) . . . . ?
C16A C17A C18A Sc3A -50.04(16) . . . . ?
C67A C18A C19A C23A 1.4(2) . . . . ?
C17A C18A C19A C23A -155.31(14) . . . . ?
Sc3A C18A C19A C23A -67.92(12) . . . . ?
C67A C18A C19A C20A 137.87(13) . . . . ?
C17A C18A C19A C20A -18.8(2) . . . . ?
Sc3A C18A C19A C20A 68.56(12) . . . . ?
C67A C18A C19A Sc3A 69.31(12) . . . . ?
C17A C18A C19A Sc3A -87.38(13) . . . . ?
C23A C19A C20A C21A 6.52(17) . . . . ?
C18A C19A C20A C21A -134.52(13) . . . . ?
Sc3A C19A C20A C21A -59.72(11) . . . . ?
C23A C19A C20A C15A 148.66(13) . . . . ?
C18A C19A C20A C15A 7.6(2) . . . . ?
Sc3A C19A C20A C15A 82.42(13) . . . . ?
C23A C19A C20A Sc3A 66.24(10) . . . . ?
C18A C19A C20A Sc3A -74.80(12) . . . . ?
C16A C15A C20A C19A 9.0(2) . . . . ?
C14A C15A C20A C19A -146.12(14) . . . . ?
Sc3A C15A C20A C19A -69.41(12) . . . . ?
C16A C15A C20A C21A 146.56(14) . . . . ?
C14A C15A C20A C21A -8.6(2) . . . . ?
Sc3A C15A C20A C21A 68.12(12) . . . . ?
C16A C15A C20A Sc3A 78.44(13) . . . . ?
C14A C15A C20A Sc3A -76.71(13) . . . . ?
C19A C20A C21A C22A -6.34(17) . . . . ?
C15A C20A C21A C22A -148.39(13) . . . . ?
Sc3A C20A C21A C22A -66.74(10) . . . . ?
C19A C20A C21A C53A 134.28(13) . . . . ?
C15A C20A C21A C53A -7.78(19) . . . . ?
Sc3A C20A C21A C53A 73.87(12) . . . . ?
C19A C20A C21A Sc3A 60.41(11) . . . . ?
C15A C20A C21A Sc3A -81.65(13) . . . . ?
C20A C21A C22A C23A 3.73(16) . . . . ?
C53A C21A C22A C23A -137.15(12) . . . . ?
Sc3A C21A C22A C23A -63.89(10) . . . . ?
C20A C21A C22A C26A 127.62(13) . . . . ?
C53A C21A C22A C26A -13.25(18) . . . . ?
Sc3A C21A C22A C26A 60.00(10) . . . . ?
C20A C21A C22A Sc3A 67.62(11) . . . . ?
C53A C21A C22A Sc3A -73.25(12) . . . . ?
C21A C22A C23A C24A 130.90(12) . . . . ?
C26A C22A C23A C24A -0.05(13) . . . . ?
Sc3A C22A C23A C24A 68.60(9) . . . . ?
C21A C22A C23A C19A 0.32(15) . . . . ?
C26A C22A C23A C19A -130.64(12) . . . . ?
Sc3A C22A C23A C19A -61.98(10) . . . . ?
C21A C22A C23A Sc3A 62.30(10) . . . . ?
C26A C22A C23A Sc3A -68.66(9) . . . . ?
C20A C19A C23A C22A -4.24(16) . . . . ?
C18A C19A C23A C22A 136.88(13) . . . . ?
Sc3A C19A C23A C22A 62.39(10) . . . . ?
C20A C19A C23A C24A -128.11(13) . . . . ?
C18A C19A C23A C24A 13.01(19) . . . . ?
Sc3A C19A C23A C24A -61.48(11) . . . . ?
C20A C19A C23A Sc3A -66.63(11) . . . . ?
C18A C19A C23A Sc3A 74.50(13) . . . . ?
C22A C23A C24A C25A -0.06(13) . . . . ?
C19A C23A C24A C25A 124.00(12) . . . . ?
Sc3A C23A C24A C25A 65.29(9) . . . . ?
C22A C23A C24A C66A -141.74(11) . . . . ?
C19A C23A C24A C66A -17.68(17) . . . . ?
Sc3A C23A C24A C66A -76.39(11) . . . . ?
C22A C23A C24A Sc3A -65.35(9) . . . . ?
C19A C23A C24A Sc3A 58.71(11) . . . . ?
C66A C24A C25A C26A 141.52(10) . . . . ?
C23A C24A C25A C26A 0.16(13) . . . . ?
Sc3A C24A C25A C26A 61.48(8) . . . . ?
C66A C24A C25A C30A -1.70(15) . . . . ?
C23A C24A C25A C30A -143.07(11) . . . . ?
Sc3A C24A C25A C30A -81.75(10) . . . . ?
C66A C24A C25A Sc3A 80.04(10) . . . . ?
C23A C24A C25A Sc3A -61.32(9) . . . . ?
C24A C25A C26A C27A -140.91(11) . . . . ?
C30A C25A C26A C27A 2.33(15) . . . . ?
Sc3A C25A C26A C27A -78.71(10) . . . . ?
C24A C25A C26A C22A -0.19(13) . . . . ?
C30A C25A C26A C22A 143.05(11) . . . . ?
Sc3A C25A C26A C22A 62.01(8) . . . . ?
C24A C25A C26A Sc3A -62.20(8) . . . . ?
C30A C25A C26A Sc3A 81.04(9) . . . . ?
C23A C22A C26A C27A 141.17(12) . . . . ?
C21A C22A C26A C27A 17.12(17) . . . . ?
Sc3A C22A C26A C27A 74.48(11) . . . . ?
C23A C22A C26A C25A 0.15(13) . . . . ?
C21A C22A C26A C25A -123.89(11) . . . . ?
Sc3A C22A C26A C25A -66.54(9) . . . . ?
C23A C22A C26A Sc3A 66.69(9) . . . . ?
C21A C22A C26A Sc3A -57.35(11) . . . . ?
C25A C26A C27A C54A 129.31(13) . . . . ?
C22A C26A C27A C54A -7.45(19) . . . . ?
Sc3A C26A C27A C54A 56.91(14) . . . . ?
C25A C26A C27A C28A -11.31(17) . . . . ?
C22A C26A C27A C28A -148.06(12) . . . . ?
Sc3A C26A C27A C28A -83.70(12) . . . . ?
C25A C26A C27A Sc3A 72.40(9) . . . . ?
C22A C26A C27A Sc3A -64.36(10) . . . . ?
C54A C27A C28A C48A 6.88(17) . . . . ?
C26A C27A C28A C48A 151.75(13) . . . . ?
Sc3A C27A C28A C48A 89.39(11) . . . . ?
C54A C27A C28A C29A -136.59(13) . . . . ?
C26A C27A C28A C29A 8.27(19) . . . . ?
Sc3A C27A C28A C29A -54.08(12) . . . . ?
C27A C28A C29A C30A 3.64(18) . . . . ?
C48A C28A C29A C30A -135.17(13) . . . . ?
C27A C28A C29A C34A 159.67(12) . . . . ?
C48A C28A C29A C34A 20.86(19) . . . . ?
C27A C28A C29A Sc2A 95.49(11) . . . . ?
C48A C28A C29A Sc2A -43.32(14) . . . . ?
C26A C25A C30A C29A 9.37(15) . . . . ?
C24A C25A C30A C29A 147.77(11) . . . . ?
Sc3A C25A C30A C29A 77.92(11) . . . . ?
C26A C25A C30A C31A -147.76(11) . . . . ?
C24A C25A C30A C31A -9.35(15) . . . . ?
Sc3A C25A C30A C31A -79.20(11) . . . . ?
C28A C29A C30A C25A -12.27(16) . . . . ?
C34A C29A C30A C25A -167.65(11) . . . . ?
Sc2A C29A C30A C25A -116.73(10) . . . . ?
C28A C29A C30A C31A 144.71(12) . . . . ?
C34A C29A C30A C31A -10.68(18) . . . . ?
Sc2A C29A C30A C31A 40.25(11) . . . . ?
C25A C30A C31A C65A 11.91(16) . . . . ?
C29A C30A C31A C65A -145.08(12) . . . . ?
C25A C30A C31A C32A 167.57(11) . . . . ?
C29A C30A C31A C32A 10.58(18) . . . . ?
C25A C30A C31A Sc2A 116.66(10) . . . . ?
C29A C30A C31A Sc2A -40.33(11) . . . . ?
C65A C31A C32A C62A 21.61(18) . . . . ?
C30A C31A C32A C62A -134.50(12) . . . . ?
Sc2A C31A C32A C62A -71.69(11) . . . . ?
C65A C31A C32A C33A 157.64(12) . . . . ?
C30A C31A C32A C33A 1.53(19) . . . . ?
Sc2A C31A C32A C33A 64.35(11) . . . . ?
C65A C31A C32A Sc2A 93.30(11) . . . . ?
C30A C31A C32A Sc2A -62.81(12) . . . . ?
C62A C32A C33A C37A 2.34(15) . . . . ?
C31A C32A C33A C37A -138.24(13) . . . . ?
Sc2A C32A C33A C37A -64.51(10) . . . . ?
C62A C32A C33A C34A 126.84(12) . . . . ?
C31A C32A C33A C34A -13.74(18) . . . . ?
Sc2A C32A C33A C34A 59.99(11) . . . . ?
C62A C32A C33A Sc2A 66.85(10) . . . . ?
C31A C32A C33A Sc2A -73.72(12) . . . . ?
C37A C33A C34A C35A -2.13(15) . . . . ?
C32A C33A C34A C35A -126.60(12) . . . . ?
Sc2A C33A C34A C35A -66.77(10) . . . . ?
C37A C33A C34A C29A 138.09(12) . . . . ?
C32A C33A C34A C29A 13.63(18) . . . . ?
Sc2A C33A C34A C29A 73.46(12) . . . . ?
C37A C33A C34A Sc2A 64.63(10) . . . . ?
C32A C33A C34A Sc2A -59.83(11) . . . . ?
C28A C29A C34A C35A -21.45(18) . . . . ?
C30A C29A C34A C35A 134.36(12) . . . . ?
Sc2A C29A C34A C35A 71.62(11) . . . . ?
C28A C29A C34A C33A -157.12(12) . . . . ?
C30A C29A C34A C33A -1.32(19) . . . . ?
Sc2A C29A C34A C33A -64.05(11) . . . . ?
C28A C29A C34A Sc2A -93.07(11) . . . . ?
C30A C29A C34A Sc2A 62.73(12) . . . . ?
C33A C34A C35A C36A 3.72(15) . . . . ?
C29A C34A C35A C36A -136.73(12) . . . . ?
Sc2A C34A C35A C36A -58.89(10) . . . . ?
C33A C34A C35A C47A 147.20(13) . . . . ?
C29A C34A C35A C47A 6.76(18) . . . . ?
Sc2A C34A C35A C47A 84.60(12) . . . . ?
C33A C34A C35A Sc2A 62.61(9) . . . . ?
C29A C34A C35A Sc2A -77.84(11) . . . . ?
C34A C35A C36A C37A -3.87(15) . . . . ?
C47A C35A C36A C37A -147.36(13) . . . . ?
Sc2A C35A C36A C37A -62.31(9) . . . . ?
C34A C35A C36A C41A 137.01(12) . . . . ?
C47A C35A C36A C41A -6.49(18) . . . . ?
Sc2A C35A C36A C41A 78.56(11) . . . . ?
C34A C35A C36A Sc2A 58.44(10) . . . . ?
C47A C35A C36A Sc2A -85.05(12) . . . . ?
C34A C33A C37A C38A -131.19(12) . . . . ?
C32A C33A C37A C38A 0.13(15) . . . . ?
Sc2A C33A C37A C38A -65.37(10) . . . . ?
C34A C33A C37A C36A -0.24(15) . . . . ?
C32A C33A C37A C36A 131.08(12) . . . . ?
Sc2A C33A C37A C36A 65.58(10) . . . . ?
C34A C33A C37A Sc2A -65.82(10) . . . . ?
C32A C33A C37A Sc2A 65.49(10) . . . . ?
C35A C36A C37A C33A 2.52(15) . . . . ?
C41A C36A C37A C33A -138.17(12) . . . . ?
Sc2A C36A C37A C33A -63.55(10) . . . . ?
C35A C36A C37A C38A 126.69(12) . . . . ?
C41A C36A C37A C38A -14.00(17) . . . . ?
Sc2A C36A C37A C38A 60.61(10) . . . . ?
C35A C36A C37A Sc2A 66.07(10) . . . . ?
C41A C36A C37A Sc2A -74.62(11) . . . . ?
C33A C37A C38A C62A -2.55(15) . . . . ?
C36A C37A C38A C62A -126.70(12) . . . . ?
Sc2A C37A C38A C62A -66.00(10) . . . . ?
C33A C37A C38A C39A 138.23(12) . . . . ?
C36A C37A C38A C39A 14.08(17) . . . . ?
Sc2A C37A C38A C39A 74.78(11) . . . . ?
C33A C37A C38A Sc2A 63.45(10) . . . . ?
C36A C37A C38A Sc2A -60.70(11) . . . . ?
C62A C38A C39A C61A -21.18(18) . . . . ?
C37A C38A C39A C61A -157.48(13) . . . . ?
Sc2A C38A C39A C61A -92.63(12) . . . . ?
C62A C38A C39A C40A 134.23(14) . . . . ?
C37A C38A C39A C40A -2.06(19) . . . . ?
Sc2A C38A C39A C40A 62.79(13) . . . . ?
C62A C38A C39A Sc2A 71.44(10) . . . . ?
C37A C38A C39A Sc2A -64.85(10) . . . . ?
C4A C3A C40A C41A -9.9(2) . . . . ?
C2A C3A C40A C41A -148.10(14) . . . . ?
Sc1A C3A C40A C41A -79.55(15) . . . . ?
C4A C3A C40A C39A 148.06(14) . . . . ?
C2A C3A C40A C39A 9.9(2) . . . . ?
Sc1A C3A C40A C39A 78.43(15) . . . . ?
C61A C39A C40A C3A -12.7(2) . . . . ?
C38A C39A C40A C3A -167.74(13) . . . . ?
Sc2A C39A C40A C3A -117.19(15) . . . . ?
C61A C39A C40A C41A 145.13(14) . . . . ?
C38A C39A C40A C41A -9.9(2) . . . . ?
Sc2A C39A C40A C41A 40.65(14) . . . . ?
C3A C40A C41A C42A 12.8(2) . . . . ?
C39A C40A C41A C42A -145.05(14) . . . . ?
C3A C40A C41A C36A 167.78(13) . . . . ?
C39A C40A C41A C36A 10.0(2) . . . . ?
C3A C40A C41A Sc2A 117.21(15) . . . . ?
C39A C40A C41A Sc2A -40.60(14) . . . . ?
C35A C36A C41A C42A 21.19(18) . . . . ?
C37A C36A C41A C42A 157.36(13) . . . . ?
Sc2A C36A C41A C42A 92.70(12) . . . . ?
C35A C36A C41A C40A -134.26(14) . . . . ?
C37A C36A C41A C40A 1.91(19) . . . . ?
Sc2A C36A C41A C40A -62.74(13) . . . . ?
C35A C36A C41A Sc2A -71.51(10) . . . . ?
C37A C36A C41A Sc2A 64.65(11) . . . . ?
C40A C41A C42A C43A -4.0(2) . . . . ?
C36A C41A C42A C43A -159.72(13) . . . . ?
Sc2A C41A C42A C43A -96.13(13) . . . . ?
C40A C41A C42A C46A 135.05(16) . . . . ?
C36A C41A C42A C46A -20.6(2) . . . . ?
Sc2A C41A C42A C46A 42.95(16) . . . . ?
C46A C42A C43A C44A -6.91(17) . . . . ?
C41A C42A C43A C44A 136.79(14) . . . . ?
C46A C42A C43A C4A -151.55(13) . . . . ?
C41A C42A C43A C4A -7.9(2) . . . . ?
C46A C42A C43A Sc1A -90.49(13) . . . . ?
C41A C42A C43A Sc1A 53.21(15) . . . . ?
C3A C4A C43A C44A -129.52(13) . . . . ?
C5A C4A C43A C44A 7.59(16) . . . . ?
Sc1A C4A C43A C44A -58.01(11) . . . . ?
C3A C4A C43A C42A 10.85(18) . . . . ?
C5A C4A C43A C42A 147.96(13) . . . . ?
Sc1A C4A C43A C42A 82.35(12) . . . . ?
C3A C4A C43A Sc1A -71.51(10) . . . . ?
C5A C4A C43A Sc1A 65.61(10) . . . . ?
C42A C43A C44A C45A 5.45(17) . . . . ?
C4A C43A C44A C45A 149.98(13) . . . . ?
Sc1A C43A C44A C45A 101.43(12) . . . . ?
C42A C43A C44A C56A -138.31(13) . . . . ?
C4A C43A C44A C56A 6.22(18) . . . . ?
Sc1A C43A C44A C56A -42.33(12) . . . . ?
C43A C44A C45A C46A -1.88(19) . . . . ?
C56A C44A C45A C46A 141.37(14) . . . . ?
C43A C44A C45A C50A -145.76(15) . . . . ?
C56A C44A C45A C50A -2.5(2) . . . . ?
C43A C42A C46A C45A 5.70(19) . . . . ?
C41A C42A C46A C45A -138.03(15) . . . . ?
C43A C42A C46A C47A 148.85(15) . . . . ?
C41A C42A C46A C47A 5.1(2) . . . . ?
C44A C45A C46A C42A -2.4(2) . . . . ?
C50A C45A C46A C42A 141.57(17) . . . . ?
C44A C45A C46A C47A -145.42(16) . . . . ?
C50A C45A C46A C47A -1.5(3) . . . . ?
C36A C35A C47A C46A -9.4(2) . . . . ?
C34A C35A C47A C46A -148.69(15) . . . . ?
Sc2A C35A C47A C46A -79.45(15) . . . . ?
C36A C35A C47A C48A 148.45(14) . . . . ?
C34A C35A C47A C48A 9.1(2) . . . . ?
Sc2A C35A C47A C48A 78.36(14) . . . . ?
C42A C46A C47A C35A 10.2(2) . . . . ?
C45A C46A C47A C35A 148.77(16) . . . . ?
C42A C46A C47A C48A -147.76(16) . . . . ?
C45A C46A C47A C48A -9.2(2) . . . . ?
C27A C28A C48A C49A -5.52(17) . . . . ?
C29A C28A C48A C49A 138.03(14) . . . . ?
C27A C28A C48A C47A -148.84(14) . . . . ?
C29A C28A C48A C47A -5.3(2) . . . . ?
C35A C47A C48A C28A -10.0(2) . . . . ?
C46A C47A C48A C28A 147.94(15) . . . . ?
C35A C47A C48A C49A -148.75(15) . . . . ?
C46A C47A C48A C49A 9.2(2) . . . . ?
C28A C48A C49A C54A 2.12(19) . . . . ?
C47A C48A C49A C54A 145.34(16) . . . . ?
C28A C48A C49A C50A -141.76(16) . . . . ?
C47A C48A C49A C50A 1.5(2) . . . . ?
C44A C45A C50A C49A 151.58(17) . . . . ?
C46A C45A C50A C49A 12.1(3) . . . . ?
C44A C45A C50A C51A -4.5(2) . . . . ?
C46A C45A C50A C51A -143.95(17) . . . . ?
C54A C49A C50A C45A -151.60(17) . . . . ?
C48A C49A C50A C45A -12.1(3) . . . . ?
C54A C49A C50A C51A 4.4(3) . . . . ?
C48A C49A C50A C51A 143.93(17) . . . . ?
C45A C50A C51A C52A 148.26(17) . . . . ?
C49A C50A C51A C52A -7.8(3) . . . . ?
C45A C50A C51A C55A 8.0(3) . . . . ?
C49A C50A C51A C55A -148.05(17) . . . . ?
C55A C51A C52A C14A 4.0(2) . . . . ?
C50A C51A C52A C14A -140.58(17) . . . . ?
C55A C51A C52A C53A 149.31(16) . . . . ?
C50A C51A C52A C53A 4.7(3) . . . . ?
C13A C14A C52A C51A -2.5(2) . . . . ?
C15A C14A C52A C51A 140.75(15) . . . . ?
C13A C14A C52A C53A -147.69(16) . . . . ?
C15A C14A C52A C53A -4.5(2) . . . . ?
C22A C21A C53A C52A 154.27(14) . . . . ?
C20A C21A C53A C52A 18.02(19) . . . . ?
Sc3A C21A C53A C52A 86.83(13) . . . . ?
C22A C21A C53A C54A -0.12(19) . . . . ?
C20A C21A C53A C54A -136.36(14) . . . . ?
Sc3A C21A C53A C54A -67.56(13) . . . . ?
C22A C21A C53A Sc3A 67.44(11) . . . . ?
C20A C21A C53A Sc3A -68.81(12) . . . . ?
C51A C52A C53A C21A -152.90(16) . . . . ?
C14A C52A C53A C21A -12.0(2) . . . . ?
C51A C52A C53A C54A 1.7(2) . . . . ?
C14A C52A C53A C54A 142.58(16) . . . . ?
C51A C52A C53A Sc3A -89.05(16) . . . . ?
C14A C52A C53A Sc3A 51.86(17) . . . . ?
C48A C49A C54A C27A 2.12(19) . . . . ?
C50A C49A C54A C27A 145.96(16) . . . . ?
C48A C49A C54A C53A -141.93(15) . . . . ?
C50A C49A C54A C53A 1.9(3) . . . . ?
C28A C27A C54A C49A -5.58(18) . . . . ?
C26A C27A C54A C49A -150.35(14) . . . . ?
Sc3A C27A C54A C49A -101.89(13) . . . . ?
C28A C27A C54A C53A 138.83(14) . . . . ?
C26A C27A C54A C53A -5.9(2) . . . . ?
Sc3A C27A C54A C53A 42.52(14) . . . . ?
C21A C53A C54A C49A 149.36(15) . . . . ?
C52A C53A C54A C49A -5.0(2) . . . . ?
Sc3A C53A C54A C49A 94.26(16) . . . . ?
C21A C53A C54A C27A 9.7(2) . . . . ?
C52A C53A C54A C27A -144.64(15) . . . . ?
Sc3A C53A C54A C27A -45.37(14) . . . . ?
C52A C51A C55A C13A -4.0(2) . . . . ?
C50A C51A C55A C13A 140.63(17) . . . . ?
C52A C51A C55A C56A -149.13(15) . . . . ?
C50A C51A C55A C56A -4.5(2) . . . . ?
C14A C13A C55A C51A 2.5(2) . . . . ?
C12A C13A C55A C51A -140.62(17) . . . . ?
C14A C13A C55A C56A 147.58(15) . . . . ?
C12A C13A C55A C56A 4.5(2) . . . . ?
C5A C6A C56A C44A -0.27(16) . . . . ?
C7A C6A C56A C44A 137.02(12) . . . . ?
Sc1A C6A C56A C44A 67.79(11) . . . . ?
C5A C6A C56A C55A -155.18(12) . . . . ?
C7A C6A C56A C55A -17.89(16) . . . . ?
Sc1A C6A C56A C55A -87.12(11) . . . . ?
C5A C6A C56A Sc1A -68.06(9) . . . . ?
C7A C6A C56A Sc1A 69.23(9) . . . . ?
C43A C44A C56A C6A -9.89(18) . . . . ?
C45A C44A C56A C6A -148.81(13) . . . . ?
C43A C44A C56A C55A 144.95(13) . . . . ?
C45A C44A C56A C55A 6.0(2) . . . . ?
C43A C44A C56A Sc1A 44.83(12) . . . . ?
C45A C44A C56A Sc1A -94.10(14) . . . . ?
C51A C55A C56A C6A 152.61(14) . . . . ?
C13A C55A C56A C6A 11.9(2) . . . . ?
C51A C55A C56A C44A -2.5(2) . . . . ?
C13A C55A C56A C44A -143.26(15) . . . . ?
C51A C55A C56A Sc1A 89.22(15) . . . . ?
C13A C55A C56A Sc1A -51.53(16) . . . . ?
C3A C2A C57A C58A 129.55(12) . . . . ?
C1A C2A C57A C58A -7.57(16) . . . . ?
Sc1A C2A C57A C58A 57.71(11) . . . . ?
C3A C2A C57A C61A -10.64(18) . . . . ?
C1A C2A C57A C61A -147.76(13) . . . . ?
Sc1A C2A C57A C61A -82.48(13) . . . . ?
C3A C2A C57A Sc1A 71.84(11) . . . . ?
C1A C2A C57A Sc1A -65.29(10) . . . . ?
C61A C57A C58A C59A -5.25(15) . . . . ?
C2A C57A C58A C59A -149.60(12) . . . . ?
Sc1A C57A C58A C59A -100.93(10) . . . . ?
C61A C57A C58A C9A 138.07(12) . . . . ?
C2A C57A C58A C9A -6.27(16) . . . . ?
Sc1A C57A C58A C9A 42.40(10) . . . . ?
C10A C9A C58A C57A -144.76(12) . . . . ?
C8A C9A C58A C57A 10.15(15) . . . . ?
Sc1A C9A C58A C57A -44.85(10) . . . . ?
C10A C9A C58A C59A -6.18(17) . . . . ?
C8A C9A C58A C59A 148.73(12) . . . . ?
Sc1A C9A C58A C59A 93.74(11) . . . . ?
C57A C58A C59A C60A 1.68(16) . . . . ?
C9A C58A C59A C60A -141.45(13) . . . . ?
C57A C58A C59A C69A 145.79(14) . . . . ?
C9A C58A C59A C69A 2.7(2) . . . . ?
C58A C59A C60A C61A 2.52(19) . . . . ?
C69A C59A C60A C61A -141.64(16) . . . . ?
C58A C59A C60A C63A 146.01(15) . . . . ?
C69A C59A C60A C63A 1.8(2) . . . . ?
C59A C60A C61A C57A -5.73(19) . . . . ?
C63A C60A C61A C57A -149.29(15) . . . . ?
C59A C60A C61A C39A 137.99(15) . . . . ?
C63A C60A C61A C39A -5.6(2) . . . . ?
C58A C57A C61A C60A 6.80(17) . . . . ?
C2A C57A C61A C60A 151.26(13) . . . . ?
Sc1A C57A C61A C60A 89.81(13) . . . . ?
C58A C57A C61A C39A -136.82(13) . . . . ?
C2A C57A C61A C39A 7.6(2) . . . . ?
Sc1A C57A C61A C39A -53.81(15) . . . . ?
C38A C39A C61A C60A 20.8(2) . . . . ?
C40A C39A C61A C60A -134.82(16) . . . . ?
Sc2A C39A C61A C60A -42.71(16) . . . . ?
C38A C39A C61A C57A 159.77(13) . . . . ?
C40A C39A C61A C57A 4.1(2) . . . . ?
Sc2A C39A C61A C57A 96.25(14) . . . . ?
C37A C38A C62A C32A 4.02(15) . . . . ?
C39A C38A C62A C32A -137.01(12) . . . . ?
Sc2A C38A C62A C32A -58.38(10) . . . . ?
C37A C38A C62A C63A 147.63(13) . . . . ?
C39A C38A C62A C63A 6.59(18) . . . . ?
Sc2A C38A C62A C63A 85.22(13) . . . . ?
C37A C38A C62A Sc2A 62.41(9) . . . . ?
C39A C38A C62A Sc2A -78.63(11) . . . . ?
C33A C32A C62A C38A -3.94(15) . . . . ?
C31A C32A C62A C38A 136.86(12) . . . . ?
Sc2A C32A C62A C38A 58.88(10) . . . . ?
C33A C32A C62A C63A -147.56(13) . . . . ?
C31A C32A C62A C63A -6.77(18) . . . . ?
Sc2A C32A C62A C63A -84.74(12) . . . . ?
C33A C32A C62A Sc2A -62.82(9) . . . . ?
C31A C32A C62A Sc2A 77.98(11) . . . . ?
C38A C62A C63A C64A -148.69(14) . . . . ?
C32A C62A C63A C64A -9.2(2) . . . . ?
Sc2A C62A C63A C64A -78.50(14) . . . . ?
C38A C62A C63A C60A 8.9(2) . . . . ?
C32A C62A C63A C60A 148.38(15) . . . . ?
Sc2A C62A C63A C60A 79.12(15) . . . . ?
C61A C60A C63A C64A 148.18(16) . . . . ?
C59A C60A C63A C64A 9.1(2) . . . . ?
C61A C60A C63A C62A -9.6(2) . . . . ?
C59A C60A C63A C62A -148.66(16) . . . . ?
C62A C63A C64A C65A 10.0(2) . . . . ?
C60A C63A C64A C65A -147.67(15) . . . . ?
C62A C63A C64A C68A 148.71(15) . . . . ?
C60A C63A C64A C68A -9.0(2) . . . . ?
C68A C64A C65A C66A 5.64(16) . . . . ?
C63A C64A C65A C66A 148.88(13) . . . . ?
C68A C64A C65A C31A -137.85(14) . . . . ?
C63A C64A C65A C31A 5.4(2) . . . . ?
C32A C31A C65A C66A -159.81(12) . . . . ?
C30A C31A C65A C66A -3.54(17) . . . . ?
Sc2A C31A C65A C66A -95.63(11) . . . . ?
C32A C31A C65A C64A -21.04(19) . . . . ?
C30A C31A C65A C64A 135.22(13) . . . . ?
Sc2A C31A C65A C64A 43.14(14) . . . . ?
C64A C65A C66A C67A -6.85(15) . . . . ?
C31A C65A C66A C67A 136.51(12) . . . . ?
C64A C65A C66A C24A -151.06(12) . . . . ?
C31A C65A C66A C24A -7.70(17) . . . . ?
C64A C65A C66A Sc3A -90.13(11) . . . . ?
C31A C65A C66A Sc3A 53.23(12) . . . . ?
C25A C24A C66A C65A 10.39(16) . . . . ?
C23A C24A C66A C65A 147.82(12) . . . . ?
Sc3A C24A C66A C65A 82.64(11) . . . . ?
C25A C24A C66A C67A -129.54(11) . . . . ?
C23A C24A C66A C67A 7.88(17) . . . . ?
Sc3A C24A C66A C67A -57.30(11) . . . . ?
C25A C24A C66A Sc3A -72.24(9) . . . . ?
C23A C24A C66A Sc3A 65.18(10) . . . . ?
C65A C66A C67A C68A 5.42(14) . . . . ?
C24A C66A C67A C68A 149.52(12) . . . . ?
Sc3A C66A C67A C68A 101.59(10) . . . . ?
C65A C66A C67A C18A -137.53(12) . . . . ?
C24A C66A C67A C18A 6.58(18) . . . . ?
Sc3A C66A C67A C18A -41.36(11) . . . . ?
C19A C18A C67A C66A -11.20(19) . . . . ?
C17A C18A C67A C66A 145.36(13) . . . . ?
Sc3A C18A C67A C66A 44.34(11) . . . . ?
C19A C18A C67A C68A -149.38(14) . . . . ?
C17A C18A C67A C68A 7.2(2) . . . . ?
Sc3A C18A C67A C68A -93.84(12) . . . . ?
C66A C67A C68A C64A -1.89(16) . . . . ?
C18A C67A C68A C64A 140.76(13) . . . . ?
C66A C67A C68A C69A -145.23(14) . . . . ?
C18A C67A C68A C69A -2.6(2) . . . . ?
C65A C64A C68A C67A -2.33(17) . . . . ?
C63A C64A C68A C67A -145.40(14) . . . . ?
C65A C64A C68A C69A 141.05(15) . . . . ?
C63A C64A C68A C69A -2.0(2) . . . . ?
C67A C68A C69A C59A 151.82(15) . . . . ?
C64A C68A C69A C59A 12.9(2) . . . . ?
C67A C68A C69A C70A -5.4(2) . . . . ?
C64A C68A C69A C70A -144.38(16) . . . . ?
C58A C59A C69A C68A -152.58(15) . . . . ?
C60A C59A C69A C68A -12.8(2) . . . . ?
C58A C59A C69A C70A 4.7(2) . . . . ?
C60A C59A C69A C70A 144.52(16) . . . . ?
C16A C17A C70A C10A -4.22(19) . . . . ?
C18A C17A C70A C10A -148.24(15) . . . . ?
C16A C17A C70A C69A 139.71(16) . . . . ?
C18A C17A C70A C69A -4.3(2) . . . . ?
C11A C10A C70A C17A 4.27(19) . . . . ?
C9A C10A C70A C17A 149.18(14) . . . . ?
C11A C10A C70A C69A -139.69(16) . . . . ?
C9A C10A C70A C69A 5.2(2) . . . . ?
C68A C69A C70A C17A 8.9(2) . . . . ?
C59A C69A C70A C17A -148.27(16) . . . . ?
C68A C69A C70A C10A 148.48(16) . . . . ?
C59A C69A C70A C10A -8.7(2) . . . . ?
C5B C1B C2B C3B 0.10(13) . . . . ?
C8B C1B C2B C3B -123.86(11) . . . . ?
Sc1B C1B C2B C3B -66.6(3) . . . . ?
C5B C1B C2B C57B 141.47(11) . . . . ?
C8B C1B C2B C57B 17.51(16) . . . . ?
Sc1B C1B C2B C57B 74.8(3) . . . . ?
C5B C1B C2B Sc1B 66.7(3) . . . . ?
C8B C1B C2B Sc1B -57.3(3) . . . . ?
C57B C2B C3B C4B -141.29(11) . . . . ?
C1B C2B C3B C4B -0.21(14) . . . . ?
Sc1B C2B C3B C4B -63.6(2) . . . . ?
C57B C2B C3B C40B 1.72(19) . . . . ?
C1B C2B C3B C40B 142.80(13) . . . . ?
Sc1B C2B C3B C40B 79.4(3) . . . . ?
C57B C2B C3B Sc1B -77.7(2) . . . . ?
C1B C2B C3B Sc1B 63.4(2) . . . . ?
C2B C3B C4B C43B 141.27(11) . . . . ?
C40B C3B C4B C43B -1.80(19) . . . . ?
Sc1B C3B C4B C43B 79.3(3) . . . . ?
C2B C3B C4B C5B 0.24(14) . . . . ?
C40B C3B C4B C5B -142.83(13) . . . . ?
Sc1B C3B C4B C5B -61.7(2) . . . . ?
C2B C3B C4B Sc1B 61.9(3) . . . . ?
C40B C3B C4B Sc1B -81.1(3) . . . . ?
C8B C1B C5B C6B 0.26(12) . . . . ?
C2B C1B C5B C6B -130.37(10) . . . . ?
Sc1B C1B C5B C6B -63.5(2) . . . . ?
C8B C1B C5B C4B 130.68(10) . . . . ?
C2B C1B C5B C4B 0.05(13) . . . . ?
Sc1B C1B C5B C4B 66.9(2) . . . . ?
C8B C1B C5B Sc1B 63.8(2) . . . . ?
C2B C1B C5B Sc1B -66.9(2) . . . . ?
C3B C4B C5B C1B -0.18(13) . . . . ?
C43B C4B C5B C1B -141.54(10) . . . . ?
Sc1B C4B C5B C1B -64.0(3) . . . . ?
C3B C4B C5B C6B 123.62(11) . . . . ?
C43B C4B C5B C6B -17.75(15) . . . . ?
Sc1B C4B C5B C6B 59.8(3) . . . . ?
C3B C4B C5B Sc1B 63.8(3) . . . . ?
C43B C4B C5B Sc1B -77.5(3) . . . . ?
C1B C5B C6B C7B -4.13(12) . . . . ?
C4B C5B C6B C7B -127.81(10) . . . . ?
Sc1B C5B C6B C7B -66.6(3) . . . . ?
C1B C5B C6B C56B 137.75(10) . . . . ?
C4B C5B C6B C56B 14.07(15) . . . . ?
Sc1B C5B C6B C56B 75.3(3) . . . . ?
C1B C5B C6B Sc1B 62.5(3) . . . . ?
C4B C5B C6B Sc1B -61.2(3) . . . . ?
C5B C6B C7B C8B 6.41(12) . . . . ?
C56B C6B C7B C8B -135.32(10) . . . . ?
Sc1B C6B C7B C8B -58.8(3) . . . . ?
C5B C6B C7B C12B 149.38(13) . . . . ?
C56B C6B C7B C12B 7.64(17) . . . . ?
Sc1B C6B C7B C12B 84.1(3) . . . . ?
C5B C6B C7B Sc1B 65.3(3) . . . . ?
C56B C6B C7B Sc1B -76.5(3) . . . . ?
C5B C1B C8B C7B 3.71(12) . . . . ?
C2B C1B C8B C7B 127.48(11) . . . . ?
Sc1B C1B C8B C7B 69.0(3) . . . . ?
C5B C1B C8B C9B -137.34(10) . . . . ?
C2B C1B C8B C9B -13.57(16) . . . . ?
Sc1B C1B C8B C9B -72.1(3) . . . . ?
C5B C1B C8B Sc1B -65.3(3) . . . . ?
C2B C1B C8B Sc1B 58.5(3) . . . . ?
C6B C7B C8B C1B -6.24(12) . . . . ?
C12B C7B C8B C1B -149.08(13) . . . . ?
Sc1B C7B C8B C1B -66.5(2) . . . . ?
C6B C7B C8B C9B 134.80(10) . . . . ?
C12B C7B C8B C9B -8.04(17) . . . . ?
Sc1B C7B C8B C9B 74.6(2) . . . . ?
C6B C7B C8B Sc1B 60.2(2) . . . . ?
C12B C7B C8B Sc1B -82.6(2) . . . . ?
C1B C8B C9B C10B 154.90(12) . . . . ?
C7B C8B C9B C10B 18.42(16) . . . . ?
Sc1B C8B C9B C10B 88.9(3) . . . . ?
C1B C8B C9B C58B -0.22(15) . . . . ?
C7B C8B C9B C58B -136.69(11) . . . . ?
Sc1B C8B C9B C58B -66.2(3) . . . . ?
C1B C8B C9B Sc1B 66.0(3) . . . . ?
C7B C8B C9B Sc1B -70.4(3) . . . . ?
C8B C9B C10B C70B -152.91(13) . . . . ?
C58B C9B C10B C70B 2.2(2) . . . . ?
Sc1B C9B C10B C70B -87.9(2) . . . . ?
C8B C9B C10B C11B -12.5(2) . . . . ?
C58B C9B C10B C11B 142.65(14) . . . . ?
Sc1B C9B C10B C11B 52.6(3) . . . . ?
C70B C10B C11B C16B -2.7(2) . . . . ?
C9B C10B C11B C16B -147.43(14) . . . . ?
C70B C10B C11B C12B 140.73(16) . . . . ?
C9B C10B C11B C12B -4.0(2) . . . . ?
C8B C7B C12B C11B -8.5(2) . . . . ?
C6B C7B C12B C11B -146.83(15) . . . . ?
Sc1B C7B C12B C11B -76.3(3) . . . . ?
C8B C7B C12B C13B 147.11(15) . . . . ?
C6B C7B C12B C13B 8.7(2) . . . . ?
Sc1B C7B C12B C13B 79.2(3) . . . . ?
C10B C11B C12B C7B 14.5(2) . . . . ?
C16B C11B C12B C7B 153.30(16) . . . . ?
C10B C11B C12B C13B -140.90(17) . . . . ?
C16B C11B C12B C13B -2.1(3) . . . . ?
C7B C12B C13B C55B -14.8(3) . . . . ?
C11B C12B C13B C55B 140.61(18) . . . . ?
C7B C12B C13B C14B -153.21(17) . . . . ?
C11B C12B C13B C14B 2.2(3) . . . . ?
C55B C13B C14B C52B 0.0(2) . . . . ?
C12B C13B C14B C52B 142.81(18) . . . . ?
C55B C13B C14B C15B -143.05(16) . . . . ?
C12B C13B C14B C15B -0.2(3) . . . . ?
C13B C14B C15B C16B -1.8(2) . . . . ?
C52B C14B C15B C16B -140.28(16) . . . . ?
C13B C14B C15B C20B 153.27(16) . . . . ?
C52B C14B C15B C20B 14.7(2) . . . . ?
C13B C14B C15B Sc3B 96.4(3) . . . . ?
C52B C14B C15B Sc3B -42.1(3) . . . . ?
C10B C11B C16B C17B 0.1(2) . . . . ?
C12B C11B C16B C17B -143.01(17) . . . . ?
C10B C11B C16B C15B 143.21(15) . . . . ?
C12B C11B C16B C15B 0.1(3) . . . . ?
C14B C15B C16B C11B 1.8(2) . . . . ?
C20B C15B C16B C11B -153.14(15) . . . . ?
Sc3B C15B C16B C11B -100.4(2) . . . . ?
C14B C15B C16B C17B 140.54(15) . . . . ?
C20B C15B C16B C17B -14.4(2) . . . . ?
Sc3B C15B C16B C17B 38.3(2) . . . . ?
C11B C16B C17B C70B 2.6(2) . . . . ?
C15B C16B C17B C70B -140.80(15) . . . . ?
C11B C16B C17B C18B 146.49(15) . . . . ?
C15B C16B C17B C18B 3.1(2) . . . . ?
C70B C17B C18B C67B -3.7(2) . . . . ?
C16B C17B C18B C67B -143.24(14) . . . . ?
C70B C17B C18B C19B 153.06(15) . . . . ?
C16B C17B C18B C19B 13.5(2) . . . . ?
C70B C17B C18B Sc3B 86.9(3) . . . . ?
C16B C17B C18B Sc3B -52.6(3) . . . . ?
C67B C18B C19B C23B 1.4(2) . . . . ?
C17B C18B C19B C23B -155.31(14) . . . . ?
Sc3B C18B C19B C23B -66.6(2) . . . . ?
C67B C18B C19B C20B 137.87(13) . . . . ?
C17B C18B C19B C20B -18.8(2) . . . . ?
Sc3B C18B C19B C20B 69.9(2) . . . . ?
C67B C18B C19B Sc3B 68.0(2) . . . . ?
C17B C18B C19B Sc3B -88.7(2) . . . . ?
C23B C19B C20B C21B 6.52(17) . . . . ?
C18B C19B C20B C21B -134.52(13) . . . . ?
Sc3B C19B C20B C21B -63.4(3) . . . . ?
C23B C19B C20B C15B 148.66(13) . . . . ?
C18B C19B C20B C15B 7.6(2) . . . . ?
Sc3B C19B C20B C15B 78.7(3) . . . . ?
C23B C19B C20B Sc3B 70.0(3) . . . . ?
C18B C19B C20B Sc3B -71.1(3) . . . . ?
C16B C15B C20B C19B 9.0(2) . . . . ?
C14B C15B C20B C19B -146.12(14) . . . . ?
Sc3B C15B C20B C19B -63.5(3) . . . . ?
C16B C15B C20B C21B 146.56(14) . . . . ?
C14B C15B C20B C21B -8.6(2) . . . . ?
Sc3B C15B C20B C21B 74.0(3) . . . . ?
C16B C15B C20B Sc3B 72.6(3) . . . . ?
C14B C15B C20B Sc3B -82.6(3) . . . . ?
C19B C20B C21B C22B -6.34(17) . . . . ?
C15B C20B C21B C22B -148.39(13) . . . . ?
Sc3B C20B C21B C22B -64.0(2) . . . . ?
C19B C20B C21B C53B 134.28(13) . . . . ?
C15B C20B C21B C53B -7.78(19) . . . . ?
Sc3B C20B C21B C53B 76.6(2) . . . . ?
C19B C20B C21B Sc3B 57.7(2) . . . . ?
C15B C20B C21B Sc3B -84.4(2) . . . . ?
C20B C21B C22B C23B 3.73(16) . . . . ?
C53B C21B C22B C23B -137.15(12) . . . . ?
Sc3B C21B C22B C23B -58.5(3) . . . . ?
C20B C21B C22B C26B 127.62(13) . . . . ?
C53B C21B C22B C26B -13.25(18) . . . . ?
Sc3B C21B C22B C26B 65.4(3) . . . . ?
C20B C21B C22B Sc3B 62.3(3) . . . . ?
C53B C21B C22B Sc3B -78.6(3) . . . . ?
C21B C22B C23B C24B 130.90(12) . . . . ?
C26B C22B C23B C24B -0.06(13) . . . . ?
Sc3B C22B C23B C24B 69.2(2) . . . . ?
C21B C22B C23B C19B 0.32(15) . . . . ?
C26B C22B C23B C19B -130.64(12) . . . . ?
Sc3B C22B C23B C19B -61.3(2) . . . . ?
C21B C22B C23B Sc3B 61.7(2) . . . . ?
C26B C22B C23B Sc3B -69.3(2) . . . . ?
C20B C19B C23B C22B -4.24(16) . . . . ?
C18B C19B C23B C22B 136.88(13) . . . . ?
Sc3B C19B C23B C22B 67.6(3) . . . . ?
C20B C19B C23B C24B -128.11(13) . . . . ?
C18B C19B C23B C24B 13.01(19) . . . . ?
Sc3B C19B C23B C24B -56.3(3) . . . . ?
C20B C19B C23B Sc3B -71.9(3) . . . . ?
C18B C19B C23B Sc3B 69.3(3) . . . . ?
C22B C23B C24B C25B -0.06(13) . . . . ?
C19B C23B C24B C25B 124.00(12) . . . . ?
Sc3B C23B C24B C25B 71.0(3) . . . . ?
C22B C23B C24B C66B -141.74(11) . . . . ?
C19B C23B C24B C66B -17.68(17) . . . . ?
Sc3B C23B C24B C66B -70.7(3) . . . . ?
C22B C23B C24B Sc3B -71.1(3) . . . . ?
C19B C23B C24B Sc3B 53.0(3) . . . . ?
C66B C24B C25B C26B 141.52(10) . . . . ?
C23B C24B C25B C26B 0.16(13) . . . . ?
Sc3B C24B C25B C26B 64.4(3) . . . . ?
C66B C24B C25B C30B -1.70(15) . . . . ?
C23B C24B C25B C30B -143.07(11) . . . . ?
Sc3B C24B C25B C30B -78.8(3) . . . . ?
C66B C24B C25B Sc3B 77.1(3) . . . . ?
C23B C24B C25B Sc3B -64.3(3) . . . . ?
C24B C25B C26B C27B -140.91(11) . . . . ?
C30B C25B C26B C27B 2.33(15) . . . . ?
Sc3B C25B C26B C27B -81.9(2) . . . . ?
C24B C25B C26B C22B -0.19(13) . . . . ?
C30B C25B C26B C22B 143.05(11) . . . . ?
Sc3B C25B C26B C22B 58.9(2) . . . . ?
C24B C25B C26B Sc3B -59.1(2) . . . . ?
C30B C25B C26B Sc3B 84.2(2) . . . . ?
C23B C22B C26B C27B 141.17(12) . . . . ?
C21B C22B C26B C27B 17.12(17) . . . . ?
Sc3B C22B C26B C27B 79.3(3) . . . . ?
C23B C22B C26B C25B 0.15(13) . . . . ?
C21B C22B C26B C25B -123.89(11) . . . . ?
Sc3B C22B C26B C25B -61.7(3) . . . . ?
C23B C22B C26B Sc3B 61.9(3) . . . . ?
C21B C22B C26B Sc3B -62.2(3) . . . . ?
C25B C26B C27B C54B 129.31(13) . . . . ?
C22B C26B C27B C54B -7.45(19) . . . . ?
Sc3B C26B C27B C54B 58.3(2) . . . . ?
C25B C26B C27B C28B -11.30(17) . . . . ?
C22B C26B C27B C28B -148.06(12) . . . . ?
Sc3B C26B C27B C28B -82.3(2) . . . . ?
C54B C27B C28B C48B 6.88(17) . . . . ?
C26B C27B C28B C48B 151.75(13) . . . . ?
C54B C27B C28B C29B -136.59(13) . . . . ?
C26B C27B C28B C29B 8.27(19) . . . . ?
C27B C28B C29B C30B 3.64(18) . . . . ?
C48B C28B C29B C30B -135.17(13) . . . . ?
C27B C28B C29B C34B 159.67(12) . . . . ?
C48B C28B C29B C34B 20.86(19) . . . . ?
C27B C28B C29B Sc2B 95.40(17) . . . . ?
C48B C28B C29B Sc2B -43.42(19) . . . . ?
C26B C25B C30B C29B 9.37(15) . . . . ?
C24B C25B C30B C29B 147.77(11) . . . . ?
Sc3B C25B C30B C29B 83.4(3) . . . . ?
C26B C25B C30B C31B -147.76(11) . . . . ?
C24B C25B C30B C31B -9.35(15) . . . . ?
Sc3B C25B C30B C31B -73.7(3) . . . . ?
C26B C25B C30B Sc2B -68.7(3) . . . . ?
C24B C25B C30B Sc2B 69.7(3) . . . . ?
Sc3B C25B C30B Sc2B 5.3(4) . . . . ?
C28B C29B C30B C25B -12.27(16) . . . . ?
C34B C29B C30B C25B -167.66(11) . . . . ?
Sc2B C29B C30B C25B -116.64(17) . . . . ?
C28B C29B C30B C31B 144.71(12) . . . . ?
C34B C29B C30B C31B -10.68(18) . . . . ?
Sc2B C29B C30B C31B 40.33(18) . . . . ?
C28B C29B C30B Sc2B 104.37(18) . . . . ?
C34B C29B C30B Sc2B -51.01(18) . . . . ?
C25B C30B C31B C65B 11.91(16) . . . . ?
C29B C30B C31B C65B -145.08(12) . . . . ?
Sc2B C30B C31B C65B -105.05(16) . . . . ?
C25B C30B C31B C32B 167.57(11) . . . . ?
C29B C30B C31B C32B 10.58(18) . . . . ?
Sc2B C30B C31B C32B 50.60(15) . . . . ?
C25B C30B C31B Sc2B 116.97(15) . . . . ?
C29B C30B C31B Sc2B -40.03(16) . . . . ?
C65B C31B C32B C62B 21.61(18) . . . . ?
C30B C31B C32B C62B -134.50(12) . . . . ?
Sc2B C31B C32B C62B -72.8(3) . . . . ?
C65B C31B C32B C33B 157.64(12) . . . . ?
C30B C31B C32B C33B 1.53(19) . . . . ?
Sc2B C31B C32B C33B 63.2(3) . . . . ?
C65B C31B C32B Sc2B 94.4(3) . . . . ?
C30B C31B C32B Sc2B -61.7(3) . . . . ?
C62B C32B C33B C37B 2.34(15) . . . . ?
C31B C32B C33B C37B -138.24(13) . . . . ?
Sc2B C32B C33B C37B -65.9(3) . . . . ?
C62B C32B C33B C34B 126.84(12) . . . . ?
C31B C32B C33B C34B -13.74(18) . . . . ?
Sc2B C32B C33B C34B 58.6(3) . . . . ?
C62B C32B C33B Sc2B 68.3(3) . . . . ?
C31B C32B C33B Sc2B -72.3(3) . . . . ?
C37B C33B C34B C35B -2.13(15) . . . . ?
C32B C33B C34B C35B -126.60(12) . . . . ?
Sc2B C33B C34B C35B -67.57(19) . . . . ?
C37B C33B C34B C29B 138.09(13) . . . . ?
C32B C33B C34B C29B 13.63(18) . . . . ?
Sc2B C33B C34B C29B 72.7(2) . . . . ?
C37B C33B C34B Sc2B 65.44(19) . . . . ?
C32B C33B C34B Sc2B -59.02(19) . . . . ?
C28B C29B C34B C35B -21.45(18) . . . . ?
C30B C29B C34B C35B 134.36(12) . . . . ?
Sc2B C29B C34B C35B 71.6(2) . . . . ?
C28B C29B C34B C33B -157.13(12) . . . . ?
C30B C29B C34B C33B -1.32(19) . . . . ?
Sc2B C29B C34B C33B -64.1(2) . . . . ?
C28B C29B C34B Sc2B -93.1(2) . . . . ?
C30B C29B C34B Sc2B 62.7(2) . . . . ?
C33B C34B C35B C36B 3.72(15) . . . . ?
C29B C34B C35B C36B -136.73(12) . . . . ?
Sc2B C34B C35B C36B -59.7(2) . . . . ?
C33B C34B C35B C47B 147.20(13) . . . . ?
C29B C34B C35B C47B 6.76(18) . . . . ?
Sc2B C34B C35B C47B 83.8(3) . . . . ?
C33B C34B C35B Sc2B 63.4(2) . . . . ?
C29B C34B C35B Sc2B -77.0(2) . . . . ?
C34B C35B C36B C37B -3.87(15) . . . . ?
C47B C35B C36B C37B -147.36(13) . . . . ?
Sc2B C35B C36B C37B -61.78(18) . . . . ?
C34B C35B C36B C41B 137.01(12) . . . . ?
C47B C35B C36B C41B -6.49(18) . . . . ?
Sc2B C35B C36B C41B 79.10(18) . . . . ?
C34B C35B C36B Sc2B 57.91(18) . . . . ?
C47B C35B C36B Sc2B -85.6(2) . . . . ?
C34B C33B C37B C38B -131.19(12) . . . . ?
C32B C33B C37B C38B 0.13(15) . . . . ?
Sc2B C33B C37B C38B -66.1(3) . . . . ?
C34B C33B C37B C36B -0.24(15) . . . . ?
C32B C33B C37B C36B 131.08(12) . . . . ?
Sc2B C33B C37B C36B 64.9(3) . . . . ?
C34B C33B C37B Sc2B -65.1(3) . . . . ?
C32B C33B C37B Sc2B 66.2(3) . . . . ?
C35B C36B C37B C33B 2.52(15) . . . . ?
C41B C36B C37B C33B -138.17(12) . . . . ?
Sc2B C36B C37B C33B -62.0(2) . . . . ?
C35B C36B C37B C38B 126.69(12) . . . . ?
C41B C36B C37B C38B -14.00(17) . . . . ?
Sc2B C36B C37B C38B 62.2(2) . . . . ?
C35B C36B C37B Sc2B 64.5(2) . . . . ?
C41B C36B C37B Sc2B -76.2(2) . . . . ?
C33B C37B C38B C62B -2.55(15) . . . . ?
C36B C37B C38B C62B -126.70(12) . . . . ?
Sc2B C37B C38B C62B -65.08(18) . . . . ?
C33B C37B C38B C39B 138.23(12) . . . . ?
C36B C37B C38B C39B 14.08(17) . . . . ?
Sc2B C37B C38B C39B 75.70(19) . . . . ?
C33B C37B C38B Sc2B 62.53(18) . . . . ?
C36B C37B C38B Sc2B -61.62(18) . . . . ?
C62B C38B C39B C61B -21.19(18) . . . . ?
C37B C38B C39B C61B -157.48(13) . . . . ?
Sc2B C38B C39B C61B -92.9(2) . . . . ?
C62B C38B C39B C40B 134.23(14) . . . . ?
C37B C38B C39B C40B -2.06(19) . . . . ?
Sc2B C38B C39B C40B 62.6(2) . . . . ?
C62B C38B C39B Sc2B 71.7(2) . . . . ?
C37B C38B C39B Sc2B -64.6(2) . . . . ?
C4B C3B C40B C41B -9.9(2) . . . . ?
C2B C3B C40B C41B -148.10(14) . . . . ?
Sc1B C3B C40B C41B -80.5(3) . . . . ?
C4B C3B C40B C39B 148.06(14) . . . . ?
C2B C3B C40B C39B 9.9(2) . . . . ?
Sc1B C3B C40B C39B 77.5(3) . . . . ?
C61B C39B C40B C3B -12.7(2) . . . . ?
C38B C39B C40B C3B -167.74(13) . . . . ?
Sc2B C39B C40B C3B -117.69(19) . . . . ?
C61B C39B C40B C41B 145.13(14) . . . . ?
C38B C39B C40B C41B -9.9(2) . . . . ?
Sc2B C39B C40B C41B 40.16(18) . . . . ?
C3B C40B C41B C42B 12.8(2) . . . . ?
C39B C40B C41B C42B -145.06(14) . . . . ?
C3B C40B C41B C36B 167.78(14) . . . . ?
C39B C40B C41B C36B 10.0(2) . . . . ?
C3B C40B C41B Sc2B 117.3(2) . . . . ?
C39B C40B C41B Sc2B -40.49(19) . . . . ?
C35B C36B C41B C42B 21.19(18) . . . . ?
C37B C36B C41B C42B 157.36(13) . . . . ?
Sc2B C36B C41B C42B 91.8(3) . . . . ?
C35B C36B C41B C40B -134.25(14) . . . . ?
C37B C36B C41B C40B 1.91(19) . . . . ?
Sc2B C36B C41B C40B -63.6(3) . . . . ?
C35B C36B C41B Sc2B -70.6(3) . . . . ?
C37B C36B C41B Sc2B 65.6(3) . . . . ?
C40B C41B C42B C43B -4.0(2) . . . . ?
C36B C41B C42B C43B -159.72(13) . . . . ?
Sc2B C41B C42B C43B -97.2(2) . . . . ?
C40B C41B C42B C46B 135.04(16) . . . . ?
C36B C41B C42B C46B -20.6(2) . . . . ?
Sc2B C41B C42B C46B 41.9(2) . . . . ?
C46B C42B C43B C44B -6.91(17) . . . . ?
C41B C42B C43B C44B 136.79(14) . . . . ?
C46B C42B C43B C4B -151.55(13) . . . . ?
C41B C42B C43B C4B -7.9(2) . . . . ?
C46B C42B C43B Sc1B -91.5(3) . . . . ?
C41B C42B C43B Sc1B 52.2(3) . . . . ?
C3B C4B C43B C44B -129.52(13) . . . . ?
C5B C4B C43B C44B 7.59(16) . . . . ?
Sc1B C4B C43B C44B -59.1(2) . . . . ?
C3B C4B C43B C42B 10.85(18) . . . . ?
C5B C4B C43B C42B 147.96(13) . . . . ?
Sc1B C4B C43B C42B 81.3(2) . . . . ?
C3B C4B C43B Sc1B -70.4(2) . . . . ?
C5B C4B C43B Sc1B 66.7(2) . . . . ?
C42B C43B C44B C45B 5.45(17) . . . . ?
C4B C43B C44B C45B 149.98(12) . . . . ?
Sc1B C43B C44B C45B 101.3(2) . . . . ?
C42B C43B C44B C56B -138.31(13) . . . . ?
C4B C43B C44B C56B 6.22(18) . . . . ?
Sc1B C43B C44B C56B -42.5(2) . . . . ?
C43B C44B C45B C46B -1.88(19) . . . . ?
C56B C44B C45B C46B 141.37(14) . . . . ?
C43B C44B C45B C50B -145.76(15) . . . . ?
C56B C44B C45B C50B -2.5(2) . . . . ?
C43B C42B C46B C45B 5.70(19) . . . . ?
C41B C42B C46B C45B -138.03(15) . . . . ?
C43B C42B C46B C47B 148.85(15) . . . . ?
C41B C42B C46B C47B 5.1(2) . . . . ?
C44B C45B C46B C42B -2.4(2) . . . . ?
C50B C45B C46B C42B 141.57(17) . . . . ?
C44B C45B C46B C47B -145.42(16) . . . . ?
C50B C45B C46B C47B -1.5(3) . . . . ?
C36B C35B C47B C46B -9.4(2) . . . . ?
C34B C35B C47B C46B -148.70(15) . . . . ?
Sc2B C35B C47B C46B -80.7(2) . . . . ?
C36B C35B C47B C48B 148.45(14) . . . . ?
C34B C35B C47B C48B 9.1(2) . . . . ?
Sc2B C35B C47B C48B 77.1(2) . . . . ?
C42B C46B C47B C35B 10.2(2) . . . . ?
C45B C46B C47B C35B 148.77(16) . . . . ?
C42B C46B C47B C48B -147.76(16) . . . . ?
C45B C46B C47B C48B -9.2(2) . . . . ?
C27B C28B C48B C49B -5.52(17) . . . . ?
C29B C28B C48B C49B 138.03(14) . . . . ?
C27B C28B C48B C47B -148.84(14) . . . . ?
C29B C28B C48B C47B -5.3(2) . . . . ?
C35B C47B C48B C28B -10.0(2) . . . . ?
C46B C47B C48B C28B 147.94(15) . . . . ?
C35B C47B C48B C49B -148.76(15) . . . . ?
C46B C47B C48B C49B 9.2(2) . . . . ?
C28B C48B C49B C54B 2.12(19) . . . . ?
C47B C48B C49B C54B 145.33(16) . . . . ?
C28B C48B C49B C50B -141.76(16) . . . . ?
C47B C48B C49B C50B 1.5(2) . . . . ?
C44B C45B C50B C49B 151.58(17) . . . . ?
C46B C45B C50B C49B 12.1(3) . . . . ?
C44B C45B C50B C51B -4.5(2) . . . . ?
C46B C45B C50B C51B -143.95(17) . . . . ?
C54B C49B C50B C45B -151.60(17) . . . . ?
C48B C49B C50B C45B -12.1(3) . . . . ?
C54B C49B C50B C51B 4.4(3) . . . . ?
C48B C49B C50B C51B 143.94(17) . . . . ?
C45B C50B C51B C52B 148.26(17) . . . . ?
C49B C50B C51B C52B -7.8(3) . . . . ?
C45B C50B C51B C55B 8.0(3) . . . . ?
C49B C50B C51B C55B -148.06(17) . . . . ?
C55B C51B C52B C14B 4.0(2) . . . . ?
C50B C51B C52B C14B -140.58(17) . . . . ?
C55B C51B C52B C53B 149.31(16) . . . . ?
C50B C51B C52B C53B 4.7(3) . . . . ?
C13B C14B C52B C51B -2.5(2) . . . . ?
C15B C14B C52B C51B 140.75(15) . . . . ?
C13B C14B C52B C53B -147.69(16) . . . . ?
C15B C14B C52B C53B -4.5(2) . . . . ?
C22B C21B C53B C52B 154.27(14) . . . . ?
C20B C21B C53B C52B 18.02(19) . . . . ?
Sc3B C21B C53B C52B 84.5(2) . . . . ?
C22B C21B C53B C54B -0.12(19) . . . . ?
C20B C21B C53B C54B -136.36(14) . . . . ?
Sc3B C21B C53B C54B -69.9(2) . . . . ?
C22B C21B C53B Sc3B 69.8(2) . . . . ?
C20B C21B C53B Sc3B -66.4(2) . . . . ?
C51B C52B C53B C21B -152.90(16) . . . . ?
C14B C52B C53B C21B -12.0(2) . . . . ?
C51B C52B C53B C54B 1.7(2) . . . . ?
C14B C52B C53B C54B 142.58(16) . . . . ?
C51B C52B C53B Sc3B -91.8(2) . . . . ?
C14B C52B C53B Sc3B 49.1(2) . . . . ?
C48B C49B C54B C27B 2.12(19) . . . . ?
C50B C49B C54B C27B 145.96(16) . . . . ?
C48B C49B C54B C53B -141.93(15) . . . . ?
C50B C49B C54B C53B 1.9(3) . . . . ?
C28B C27B C54B C49B -5.58(18) . . . . ?
C26B C27B C54B C49B -150.35(14) . . . . ?
C28B C27B C54B C53B 138.83(14) . . . . ?
C26B C27B C54B C53B -5.9(2) . . . . ?
C21B C53B C54B C49B 149.36(15) . . . . ?
C52B C53B C54B C49B -5.0(2) . . . . ?
Sc3B C53B C54B C49B 94.7(2) . . . . ?
C21B C53B C54B C27B 9.7(2) . . . . ?
C52B C53B C54B C27B -144.64(15) . . . . ?
Sc3B C53B C54B C27B -44.9(2) . . . . ?
C52B C51B C55B C13B -4.0(2) . . . . ?
C50B C51B C55B C13B 140.63(17) . . . . ?
C52B C51B C55B C56B -149.14(15) . . . . ?
C50B C51B C55B C56B -4.5(2) . . . . ?
C14B C13B C55B C51B 2.5(2) . . . . ?
C12B C13B C55B C51B -140.62(17) . . . . ?
C14B C13B C55B C56B 147.58(15) . . . . ?
C12B C13B C55B C56B 4.5(2) . . . . ?
C5B C6B C56B C44B -0.27(16) . . . . ?
C7B C6B C56B C44B 137.02(12) . . . . ?
Sc1B C6B C56B C44B 67.2(2) . . . . ?
C5B C6B C56B C55B -155.18(12) . . . . ?
C7B C6B C56B C55B -17.89(16) . . . . ?
Sc1B C6B C56B C55B -87.7(2) . . . . ?
C5B C6B C56B Sc1B -67.5(2) . . . . ?
C7B C6B C56B Sc1B 69.8(2) . . . . ?
C43B C44B C56B C6B -9.89(18) . . . . ?
C45B C44B C56B C6B -148.81(13) . . . . ?
C43B C44B C56B C55B 144.95(13) . . . . ?
C45B C44B C56B C55B 6.0(2) . . . . ?
C43B C44B C56B Sc1B 44.4(2) . . . . ?
C45B C44B C56B Sc1B -94.6(2) . . . . ?
C51B C55B C56B C6B 152.61(14) . . . . ?
C13B C55B C56B C6B 11.9(2) . . . . ?
C51B C55B C56B C44B -2.5(2) . . . . ?
C13B C55B C56B C44B -143.26(15) . . . . ?
C51B C55B C56B Sc1B 89.2(2) . . . . ?
C13B C55B C56B Sc1B -51.6(3) . . . . ?
C3B C2B C57B C58B 129.55(12) . . . . ?
C1B C2B C57B C58B -7.57(16) . . . . ?
Sc1B C2B C57B C58B 58.2(2) . . . . ?
C3B C2B C57B C61B -10.64(19) . . . . ?
C1B C2B C57B C61B -147.76(13) . . . . ?
Sc1B C2B C57B C61B -82.0(2) . . . . ?
C3B C2B C57B Sc1B 71.4(2) . . . . ?
C1B C2B C57B Sc1B -65.7(2) . . . . ?
C61B C57B C58B C59B -5.25(15) . . . . ?
C2B C57B C58B C59B -149.60(12) . . . . ?
Sc1B C57B C58B C59B -100.56(18) . . . . ?
C61B C57B C58B C9B 138.07(12) . . . . ?
C2B C57B C58B C9B -6.27(16) . . . . ?
Sc1B C57B C58B C9B 42.76(18) . . . . ?
C61B C57B C58B Sc1B 95.31(19) . . . . ?
C2B C57B C58B Sc1B -49.04(18) . . . . ?
C10B C9B C58B C57B -144.76(12) . . . . ?
C8B C9B C58B C57B 10.15(15) . . . . ?
Sc1B C9B C58B C57B -44.63(19) . . . . ?
C10B C9B C58B C59B -6.18(17) . . . . ?
C8B C9B C58B C59B 148.73(12) . . . . ?
Sc1B C9B C58B C59B 94.0(2) . . . . ?
C10B C9B C58B Sc1B -100.1(2) . . . . ?
C8B C9B C58B Sc1B 54.78(19) . . . . ?
C57B C58B C59B C60B 1.68(16) . . . . ?
C9B C58B C59B C60B -141.45(13) . . . . ?
Sc1B C58B C59B C60B -71.6(2) . . . . ?
C57B C58B C59B C69B 145.78(14) . . . . ?
C9B C58B C59B C69B 2.7(2) . . . . ?
Sc1B C58B C59B C69B 72.6(2) . . . . ?
C58B C59B C60B C61B 2.52(19) . . . . ?
C69B C59B C60B C61B -141.64(16) . . . . ?
C58B C59B C60B C63B 146.00(15) . . . . ?
C69B C59B C60B C63B 1.8(2) . . . . ?
C59B C60B C61B C57B -5.72(19) . . . . ?
C63B C60B C61B C57B -149.29(15) . . . . ?
C59B C60B C61B C39B 137.99(15) . . . . ?
C63B C60B C61B C39B -5.6(2) . . . . ?
C58B C57B C61B C60B 6.80(17) . . . . ?
C2B C57B C61B C60B 151.26(13) . . . . ?
Sc1B C57B C61B C60B 89.9(2) . . . . ?
C58B C57B C61B C39B -136.82(13) . . . . ?
C2B C57B C61B C39B 7.6(2) . . . . ?
Sc1B C57B C61B C39B -53.7(2) . . . . ?
C38B C39B C61B C60B 20.8(2) . . . . ?
C40B C39B C61B C60B -134.82(16) . . . . ?
Sc2B C39B C61B C60B -42.3(2) . . . . ?
C38B C39B C61B C57B 159.77(13) . . . . ?
C40B C39B C61B C57B 4.1(2) . . . . ?
Sc2B C39B C61B C57B 96.62(19) . . . . ?
C37B C38B C62B C32B 4.02(15) . . . . ?
C39B C38B C62B C32B -137.01(12) . . . . ?
Sc2B C38B C62B C32B -57.2(2) . . . . ?
C37B C38B C62B C63B 147.63(13) . . . . ?
C39B C38B C62B C63B 6.59(18) . . . . ?
Sc2B C38B C62B C63B 86.4(2) . . . . ?
C37B C38B C62B Sc2B 61.2(2) . . . . ?
C39B C38B C62B Sc2B -79.8(2) . . . . ?
C33B C32B C62B C38B -3.94(16) . . . . ?
C31B C32B C62B C38B 136.86(12) . . . . ?
Sc2B C32B C62B C38B 59.03(17) . . . . ?
C33B C32B C62B C63B -147.56(13) . . . . ?
C31B C32B C62B C63B -6.77(18) . . . . ?
Sc2B C32B C62B C63B -84.60(19) . . . . ?
C33B C32B C62B Sc2B -62.97(17) . . . . ?
C31B C32B C62B Sc2B 77.83(18) . . . . ?
C38B C62B C63B C64B -148.69(14) . . . . ?
C32B C62B C63B C64B -9.2(2) . . . . ?
Sc2B C62B C63B C64B -77.3(2) . . . . ?
C38B C62B C63B C60B 8.9(2) . . . . ?
C32B C62B C63B C60B 148.38(14) . . . . ?
Sc2B C62B C63B C60B 80.4(2) . . . . ?
C61B C60B C63B C64B 148.18(16) . . . . ?
C59B C60B C63B C64B 9.1(2) . . . . ?
C61B C60B C63B C62B -9.6(2) . . . . ?
C59B C60B C63B C62B -148.66(16) . . . . ?
C62B C63B C64B C65B 10.0(2) . . . . ?
C60B C63B C64B C65B -147.67(15) . . . . ?
C62B C63B C64B C68B 148.71(15) . . . . ?
C60B C63B C64B C68B -9.0(2) . . . . ?
C68B C64B C65B C66B 5.64(16) . . . . ?
C63B C64B C65B C66B 148.88(13) . . . . ?
C68B C64B C65B C31B -137.84(14) . . . . ?
C63B C64B C65B C31B 5.4(2) . . . . ?
C32B C31B C65B C66B -159.81(12) . . . . ?
C30B C31B C65B C66B -3.54(17) . . . . ?
Sc2B C31B C65B C66B -94.8(2) . . . . ?
C32B C31B C65B C64B -21.05(19) . . . . ?
C30B C31B C65B C64B 135.22(13) . . . . ?
Sc2B C31B C65B C64B 43.9(2) . . . . ?
C64B C65B C66B C67B -6.85(15) . . . . ?
C31B C65B C66B C67B 136.51(12) . . . . ?
C64B C65B C66B C24B -151.06(12) . . . . ?
C31B C65B C66B C24B -7.70(17) . . . . ?
C64B C65B C66B Sc3B -86.7(3) . . . . ?
C31B C65B C66B Sc3B 56.6(3) . . . . ?
C25B C24B C66B C65B 10.39(16) . . . . ?
C23B C24B C66B C65B 147.82(12) . . . . ?
Sc3B C24B C66B C65B 85.1(2) . . . . ?
C25B C24B C66B C67B -129.54(11) . . . . ?
C23B C24B C66B C67B 7.88(17) . . . . ?
Sc3B C24B C66B C67B -54.9(2) . . . . ?
C25B C24B C66B Sc3B -74.7(2) . . . . ?
C23B C24B C66B Sc3B 62.8(2) . . . . ?
C65B C66B C67B C68B 5.42(14) . . . . ?
C24B C66B C67B C68B 149.52(12) . . . . ?
Sc3B C66B C67B C68B 101.1(2) . . . . ?
C65B C66B C67B C18B -137.53(12) . . . . ?
C24B C66B C67B C18B 6.58(18) . . . . ?
Sc3B C66B C67B C18B -41.9(2) . . . . ?
C65B C66B C67B Sc3B -95.7(2) . . . . ?
C24B C66B C67B Sc3B 48.4(2) . . . . ?
C19B C18B C67B C66B -11.20(19) . . . . ?
C17B C18B C67B C66B 145.36(13) . . . . ?
Sc3B C18B C67B C66B 45.5(2) . . . . ?
C19B C18B C67B C68B -149.38(14) . . . . ?
C17B C18B C67B C68B 7.2(2) . . . . ?
Sc3B C18B C67B C68B -92.7(2) . . . . ?
C19B C18B C67B Sc3B -56.7(2) . . . . ?
C17B C18B C67B Sc3B 99.9(2) . . . . ?
C66B C67B C68B C64B -1.89(16) . . . . ?
C18B C67B C68B C64B 140.76(13) . . . . ?
Sc3B C67B C68B C64B 73.6(2) . . . . ?
C66B C67B C68B C69B -145.23(14) . . . . ?
C18B C67B C68B C69B -2.6(2) . . . . ?
Sc3B C67B C68B C69B -69.8(2) . . . . ?
C65B C64B C68B C67B -2.33(17) . . . . ?
C63B C64B C68B C67B -145.40(14) . . . . ?
C65B C64B C68B C69B 141.05(15) . . . . ?
C63B C64B C68B C69B -2.0(2) . . . . ?
C67B C68B C69B C59B 151.82(15) . . . . ?
C64B C68B C69B C59B 12.9(2) . . . . ?
C67B C68B C69B C70B -5.4(2) . . . . ?
C64B C68B C69B C70B -144.38(16) . . . . ?
C58B C59B C69B C68B -152.58(15) . . . . ?
C60B C59B C69B C68B -12.8(2) . . . . ?
C58B C59B C69B C70B 4.7(2) . . . . ?
C60B C59B C69B C70B 144.52(16) . . . . ?
C16B C17B C70B C10B -4.22(19) . . . . ?
C18B C17B C70B C10B -148.24(15) . . . . ?
C16B C17B C70B C69B 139.71(16) . . . . ?
C18B C17B C70B C69B -4.3(2) . . . . ?
C11B C10B C70B C17B 4.27(19) . . . . ?
C9B C10B C70B C17B 149.18(14) . . . . ?
C11B C10B C70B C69B -139.69(16) . . . . ?
C9B C10B C70B C69B 5.2(2) . . . . ?
C68B C69B C70B C17B 8.9(2) . . . . ?
C59B C69B C70B C17B -148.27(16) . . . . ?
C68B C69B C70B C10B 148.48(16) . . . . ?
C59B C69B C70B C10B -8.7(2) . . . . ?
C3S C1S C2S C3S -1.8(10) . . . 3_756 ?
C2S C1S C3S C2S 1.8(10) . . . 3_756 ?
C9S C4S C5S C6S 1.2(7) . . . . ?
C10S C4S C5S C6S -177.3(5) . . . . ?
C4S C5S C6S C7S -0.5(7) . . . . ?
C5S C6S C7S C8S 0.2(8) . . . . ?
C6S C7S C8S C9S -0.5(8) . . . . ?
C5S C4S C9S C8S -1.6(8) . . . . ?
C10S C4S C9S C8S 176.8(5) . . . . ?
C7S C8S C9S C4S 1.2(8) . . . . ?
C4P N1P C1P C20P -178.5(2) . . . . ?
Ni1P N1P C1P C20P -1.1(3) . . . . ?
C4P N1P C1P C2P -0.6(2) . . . . ?
Ni1P N1P C1P C2P 176.86(13) . . . . ?
C20P C1P C2P C3P 178.1(2) . . . . ?
N1P C1P C2P C3P 0.1(2) . . . . ?
C20P C1P C2P C21P 1.0(3) . . . . ?
N1P C1P C2P C21P -176.94(17) . . . . ?
C1P C2P C3P C4P 0.4(2) . . . . ?
C21P C2P C3P C4P 177.27(18) . . . . ?
C1P C2P C3P C23P -176.1(2) . . . . ?
C21P C2P C3P C23P 0.8(3) . . . . ?
C1P N1P C4P C5P 178.52(18) . . . . ?
Ni1P N1P C4P C5P 1.1(3) . . . . ?
C1P N1P C4P C3P 0.80(19) . . . . ?
Ni1P N1P C4P C3P -176.67(13) . . . . ?
C2P C3P C4P C5P -178.50(18) . . . . ?
C23P C3P C4P C5P -1.8(3) . . . . ?
C2P C3P C4P N1P -0.8(2) . . . . ?
C23P C3P C4P N1P 175.94(19) . . . . ?
N1P C4P C5P C6P -2.3(3) . . . . ?
C3P C4P C5P C6P 175.11(18) . . . . ?
C4P C5P C6P N2P 2.3(3) . . . . ?
C4P C5P C6P C7P -175.32(19) . . . . ?
C9P N2P C6P C5P -179.20(17) . . . . ?
Ni1P N2P C6P C5P -1.0(3) . . . . ?
C9P N2P C6P C7P -1.34(19) . . . . ?
Ni1P N2P C6P C7P 176.90(14) . . . . ?
C5P C6P C7P C8P 178.24(18) . . . . ?
N2P C6P C7P C8P 0.4(2) . . . . ?
C5P C6P C7P C25P 1.3(3) . . . . ?
N2P C6P C7P C25P -176.6(2) . . . . ?
C6P C7P C8P C9P 0.8(2) . . . . ?
C25P C7P C8P C9P 177.5(2) . . . . ?
C6P C7P C8P C27P -174.9(2) . . . . ?
C25P C7P C8P C27P 1.9(4) . . . . ?
C6P N2P C9P C10P -179.36(19) . . . . ?
Ni1P N2P C9P C10P 2.4(3) . . . . ?
C6P N2P C9P C8P 1.84(19) . . . . ?
Ni1P N2P C9P C8P -176.38(14) . . . . ?
C7P C8P C9P N2P -1.7(2) . . . . ?
C27P C8P C9P N2P 174.2(2) . . . . ?
C7P C8P C9P C10P 179.5(2) . . . . ?
C27P C8P C9P C10P -4.7(3) . . . . ?
N2P C9P C10P C11P -3.0(3) . . . . ?
C8P C9P C10P C11P 175.7(2) . . . . ?
C9P C10P C11P N3P 1.4(4) . . . . ?
C9P C10P C11P C12P -176.9(2) . . . . ?
C14P N3P C11P C10P -178.1(2) . . . . ?
Ni1P N3P C11P C10P 0.7(3) . . . . ?
C14P N3P C11P C12P 0.4(2) . . . . ?
Ni1P N3P C11P C12P 179.22(14) . . . . ?
C10P C11P C12P C13P 178.1(2) . . . . ?
N3P C11P C12P C13P -0.4(2) . . . . ?
C10P C11P C12P C29P 0.3(3) . . . . ?
N3P C11P C12P C29P -178.22(19) . . . . ?
C11P C12P C13P C14P 0.2(2) . . . . ?
C29P C12P C13P C14P 178.0(2) . . . . ?
C11P C12P C13P C31P -177.4(2) . . . . ?
C29P C12P C13P C31P 0.4(4) . . . . ?
C11P N3P C14P C15P 178.8(2) . . . . ?
Ni1P N3P C14P C15P 0.0(3) . . . . ?
C11P N3P C14P C13P -0.3(2) . . . . ?
Ni1P N3P C14P C13P -179.09(14) . . . . ?
C12P C13P C14P C15P -179.1(2) . . . . ?
C31P C13P C14P C15P -1.3(3) . . . . ?
C12P C13P C14P N3P 0.0(2) . . . . ?
C31P C13P C14P N3P 177.8(2) . . . . ?
N3P C14P C15P C16P -1.6(3) . . . . ?
C13P C14P C15P C16P 177.4(2) . . . . ?
C14P C15P C16P N4P 2.1(3) . . . . ?
C14P C15P C16P C17P -177.1(2) . . . . ?
C19P N4P C16P C15P -179.94(19) . . . . ?
Ni1P N4P C16P C15P -0.9(3) . . . . ?
C19P N4P C16P C17P -0.7(2) . . . . ?
Ni1P N4P C16P C17P 178.32(14) . . . . ?
C15P C16P C17P C18P 179.54(19) . . . . ?
N4P C16P C17P C18P 0.3(2) . . . . ?
C15P C16P C17P C33P 1.6(3) . . . . ?
N4P C16P C17P C33P -177.6(2) . . . . ?
C16P C17P C18P C19P 0.2(2) . . . . ?
C33P C17P C18P C19P 178.0(2) . . . . ?
C16P C17P C18P C35P -176.16(18) . . . . ?
C33P C17P C18P C35P 1.6(3) . . . . ?
C16P N4P C19P C20P 179.8(2) . . . . ?
Ni1P N4P C19P C20P 0.7(3) . . . . ?
C16P N4P C19P C18P 0.8(2) . . . . ?
Ni1P N4P C19P C18P -178.19(13) . . . . ?
C17P C18P C19P C20P -179.6(2) . . . . ?
C35P C18P C19P C20P -2.9(3) . . . . ?
C17P C18P C19P N4P -0.7(2) . . . . ?
C35P C18P C19P N4P 176.00(17) . . . . ?
N4P C19P C20P C1P -2.0(4) . . . . ?
C18P C19P C20P C1P 176.8(2) . . . . ?
N1P C1P C20P C19P 2.2(4) . . . . ?
C2P C1P C20P C19P -175.5(2) . . . . ?
C3P C2P C21P C22P -95.1(3) . . . . ?
C1P C2P C21P C22P 81.3(3) . . . . ?
C2P C3P C23P C24P 94.7(3) . . . . ?
C4P C3P C23P C24P -81.2(3) . . . . ?
C8P C7P C25P C26P -102.7(4) . . . . ?
C6P C7P C25P C26P 73.6(4) . . . . ?
C7P C8P C27P C28P 94.8(4) . . . . ?
C9P C8P C27P C28P -80.1(4) . . . . ?
C13P C12P C29P C30P -79.2(5) . . . . ?
C11P C12P C29P C30P 98.1(5) . . . . ?
C12P C13P C31P C32P 105.2(3) . . . . ?
C14P C13P C31P C32P -72.0(4) . . . . ?
C18P C17P C33P C34P -92.4(3) . . . . ?
C16P C17P C33P C34P 85.0(3) . . . . ?
C17P C18P C35P C36P 99.7(3) . . . . ?
C19P C18P C35P C36P -76.2(3) . . . . ?
C4Q N1Q C1Q C20Q -178.6(2) . . . . ?
Ni1Q N1Q C1Q C20Q -1.2(3) . . . . ?
C4Q N1Q C1Q C2Q -0.6(2) . . . . ?
Ni1Q N1Q C1Q C2Q 176.87(15) . . . . ?
C20Q C1Q C2Q C3Q 178.8(2) . . . . ?
N1Q C1Q C2Q C3Q 0.8(2) . . . . ?
C20Q C1Q C2Q C21Q 1.8(3) . . . . ?
N1Q C1Q C2Q C21Q -176.22(18) . . . . ?
C1Q C2Q C3Q C4Q -0.6(2) . . . . ?
C21Q C2Q C3Q C4Q 176.21(19) . . . . ?
C1Q C2Q C3Q C23Q -177.1(2) . . . . ?
C21Q C2Q C3Q C23Q -0.2(4) . . . . ?
C1Q N1Q C4Q C5Q 178.1(2) . . . . ?
Ni1Q N1Q C4Q C5Q 0.6(3) . . . . ?
C1Q N1Q C4Q C3Q 0.2(2) . . . . ?
Ni1Q N1Q C4Q C3Q -177.30(15) . . . . ?
C2Q C3Q C4Q C5Q -177.6(2) . . . . ?
C23Q C3Q C4Q C5Q -0.9(3) . . . . ?
C2Q C3Q C4Q N1Q 0.3(2) . . . . ?
C23Q C3Q C4Q N1Q 177.0(2) . . . . ?
N1Q C4Q C5Q C6Q -1.9(3) . . . . ?
C3Q C4Q C5Q C6Q 175.7(2) . . . . ?
C4Q C5Q C6Q N2Q 2.5(4) . . . . ?
C4Q C5Q C6Q C7Q -179.9(2) . . . . ?
C9Q N2Q C6Q C5Q 179.2(2) . . . . ?
Ni1Q N2Q C6Q C5Q -1.8(3) . . . . ?
C9Q N2Q C6Q C7Q 1.4(2) . . . . ?
Ni1Q N2Q C6Q C7Q -179.58(16) . . . . ?
C5Q C6Q C7Q C8Q -178.6(2) . . . . ?
N2Q C6Q C7Q C8Q -0.8(3) . . . . ?
C5Q C6Q C7Q C25Q 4.4(3) . . . . ?
N2Q C6Q C7Q C25Q -177.7(2) . . . . ?
C6Q C7Q C8Q C9Q -0.2(2) . . . . ?
C25Q C7Q C8Q C9Q 176.6(2) . . . . ?
C6Q C7Q C8Q C27Q -175.8(2) . . . . ?
C25Q C7Q C8Q C27Q 1.0(4) . . . . ?
C6Q N2Q C9Q C10Q 178.6(3) . . . . ?
Ni1Q N2Q C9Q C10Q -0.4(4) . . . . ?
C6Q N2Q C9Q C8Q -1.5(3) . . . . ?
Ni1Q N2Q C9Q C8Q 179.47(17) . . . . ?
C7Q C8Q C9Q N2Q 1.1(3) . . . . ?
C27Q C8Q C9Q N2Q 176.9(2) . . . . ?
C7Q C8Q C9Q C10Q -179.1(3) . . . . ?
C27Q C8Q C9Q C10Q -3.2(4) . . . . ?
N2Q C9Q C10Q C11Q -1.9(4) . . . . ?
C8Q C9Q C10Q C11Q 178.3(2) . . . . ?
C9Q C10Q C11Q N3Q 2.9(4) . . . . ?
C9Q C10Q C11Q C12Q -174.7(3) . . . . ?
C14Q N3Q C11Q C10Q -179.6(2) . . . . ?
Ni1Q N3Q C11Q C10Q -1.7(3) . . . . ?
C14Q N3Q C11Q C12Q -1.7(2) . . . . ?
Ni1Q N3Q C11Q C12Q 176.24(17) . . . . ?
C10Q C11Q C12Q C13Q 179.6(2) . . . . ?
N3Q C11Q C12Q C13Q 1.7(3) . . . . ?
C10Q C11Q C12Q C29Q -2.5(4) . . . . ?
N3Q C11Q C12Q C29Q 179.6(2) . . . . ?
C11Q C12Q C13Q C14Q -0.9(3) . . . . ?
C29Q C12Q C13Q C14Q -178.8(2) . . . . ?
C11Q C12Q C13Q C31Q -178.6(2) . . . . ?
C29Q C12Q C13Q C31Q 3.6(4) . . . . ?
C11Q N3Q C14Q C15Q 179.37(19) . . . . ?
Ni1Q N3Q C14Q C15Q 1.4(3) . . . . ?
C11Q N3Q C14Q C13Q 1.1(2) . . . . ?
Ni1Q N3Q C14Q C13Q -176.86(16) . . . . ?
C12Q C13Q C14Q C15Q -178.4(2) . . . . ?
C31Q C13Q C14Q C15Q -0.6(3) . . . . ?
C12Q C13Q C14Q N3Q -0.1(3) . . . . ?
C31Q C13Q C14Q N3Q 177.7(2) . . . . ?
N3Q C14Q C15Q C16Q -2.9(3) . . . . ?
C13Q C14Q C15Q C16Q 175.2(2) . . . . ?
C14Q C15Q C16Q N4Q 2.1(3) . . . . ?
C14Q C15Q C16Q C17Q -176.3(2) . . . . ?
C19Q N4Q C16Q C15Q -179.5(2) . . . . ?
Ni1Q N4Q C16Q C15Q 0.0(3) . . . . ?
C19Q N4Q C16Q C17Q -0.9(2) . . . . ?
Ni1Q N4Q C16Q C17Q 178.60(16) . . . . ?
C15Q C16Q C17Q C18Q 179.6(2) . . . . ?
N4Q C16Q C17Q C18Q 1.0(2) . . . . ?
C15Q C16Q C17Q C33Q 1.8(3) . . . . ?
N4Q C16Q C17Q C33Q -176.8(2) . . . . ?
C16Q C17Q C18Q C19Q -0.6(2) . . . . ?
C33Q C17Q C18Q C19Q 177.1(2) . . . . ?
C16Q C17Q C18Q C35Q -177.1(2) . . . . ?
C33Q C17Q C18Q C35Q 0.6(4) . . . . ?
C16Q N4Q C19Q C20Q 179.9(3) . . . . ?
Ni1Q N4Q C19Q C20Q 0.3(4) . . . . ?
C16Q N4Q C19Q C18Q 0.6(2) . . . . ?
Ni1Q N4Q C19Q C18Q -178.98(16) . . . . ?
C17Q C18Q C19Q C20Q -179.3(3) . . . . ?
C35Q C18Q C19Q C20Q -2.5(4) . . . . ?
C17Q C18Q C19Q N4Q 0.0(3) . . . . ?
C35Q C18Q C19Q N4Q 176.79(19) . . . . ?
N4Q C19Q C20Q C1Q -1.6(5) . . . . ?
C18Q C19Q C20Q C1Q 177.6(2) . . . . ?
N1Q C1Q C20Q C19Q 2.0(4) . . . . ?
C2Q C1Q C20Q C19Q -175.8(3) . . . . ?
C3Q C2Q C21Q C22Q -96.5(8) . . . . ?
C1Q C2Q C21Q C22Q 79.8(8) . . . . ?
C2Q C3Q C23Q C24Q 95.5(4) . . . . ?
C4Q C3Q C23Q C24Q -80.4(4) . . . . ?
C8Q C7Q C25Q C26Q -105.4(8) . . . . ?
C6Q C7Q C25Q C26Q 70.9(8) . . . . ?
C7Q C8Q C27Q C28Q 75.1(6) . . . . ?
C9Q C8Q C27Q C28Q -99.7(6) . . . . ?
C13Q C12Q C29Q C30Q -107.2(7) . . . . ?
C11Q C12Q C29Q C30Q 75.3(7) . . . . ?
C12Q C13Q C31Q C32Q 88.3(5) . . . . ?
C14Q C13Q C31Q C32Q -88.9(4) . . . . ?
C18Q C17Q C33Q C34Q -90.4(4) . . . . ?
C16Q C17Q C33Q C34Q 86.9(5) . . . . ?
C17Q C18Q C35Q C36Q 97.8(8) . . . . ?
C19Q C18Q C35Q C36Q -78.2(8) . . . . ?

_refine_diff_density_max         0.975
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.136



####################################################################### 
# 
# 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@c70_3_140k
_database_code_depnum_ccdc_archive 'CCDC 2362050'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Nanjing Normal University
China
;
_audit_update_record             
;
2024-07-30 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_sc3n@c70_3_140k     
;
PROBLEM: measured_fraction_theta_full value Low
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C2v(7854)-C70/NiOEP/0.5(C6H6)/C7H8;
_chemical_formula_sum            'C116 H55 N5 Ni Sc3'
_chemical_formula_weight         1712.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0047 0.0023 '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 0.0089 0.0046 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2980 1.4586 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3007 0.4981 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.330(4)
_cell_length_b                   16.450(3)
_cell_length_c                   25.680(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.10(3)
_cell_angle_gamma                90
_cell_volume                     7034(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    116217
_cell_measurement_theta_min      1.730
_cell_measurement_theta_max      36.781

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_F_000             3508
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.917
_shelx_estimated_absorpt_T_min   0.914
_shelx_estimated_absorpt_T_max   0.947
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      140(2)
_diffrn_radiation_wavelength     0.82656
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            116209
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.730
_diffrn_reflns_theta_max         36.781
_diffrn_reflns_theta_full        29.731
_diffrn_measured_fraction_theta_max 0.797
_diffrn_measured_fraction_theta_full 0.921
_diffrn_reflns_Laue_measured_fraction_max 0.797
_diffrn_reflns_Laue_measured_fraction_full 0.921
_diffrn_reflns_point_group_measured_fraction_max 0.797
_diffrn_reflns_point_group_measured_fraction_full 0.921
_reflns_number_total             17869
_reflns_number_gt                15274
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1717P)²+8.0619P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17869
_refine_ls_number_parameters     2176
_refine_ls_number_restraints     3462
_refine_ls_R_factor_all          0.1016
_refine_ls_R_factor_gt           0.0939
_refine_ls_wR_factor_ref         0.2929
_refine_ls_wR_factor_gt          0.2839
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.098
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.003

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 0.44980(8) 0.46785(8) 0.84747(6) 0.0468(3) Uani 0.5999(17) 1 d . . P A
1
Sc2A Sc 0.35708(6) 0.44805(7) 0.72406(4) 0.0436(3) Uani 0.5999(17) 1 d . . P A
1
Sc3A Sc 0.22468(6) 0.52226(9) 0.77486(6) 0.0488(3) Uani 0.5999(17) 1 d . . P A
1
N1A N 0.3414(8) 0.4832(4) 0.7931(5) 0.0222(13) Uani 0.5999(17) 1 d . . P A 1
C1A C 0.58087(7) 0.48682(6) 0.90549(4) 0.073(3) Uani 0.5999(17) 1 d D U P A 1
C2A C 0.58987(7) 0.48721(6) 0.85202(4) 0.084(3) Uani 0.5999(17) 1 d D U P A 1
C3A C 0.56913(7) 0.40880(6) 0.82908(4) 0.073(2) Uani 0.5999(17) 1 d D U P A 1
C4A C 0.54902(7) 0.35957(6) 0.86895(4) 0.075(2) Uani 0.5999(17) 1 d D U P A 1
C5A C 0.55552(6) 0.40805(6) 0.91584(4) 0.081(2) Uani 0.5999(17) 1 d D U P A 1
C6A C 0.48788(6) 0.41665(6) 0.93654(4) 0.0607(16) Uani 0.5999(17) 1 d D U P A 1
C7A C 0.47562(6) 0.50119(6) 0.94299(4) 0.066(2) Uani 0.5999(17) 1 d D U P A 1
C8A C 0.52930(6) 0.54450(6) 0.92001(4) 0.071(2) Uani 0.5999(17) 1 d D U P A 1
C9A C 0.50113(6) 0.61357(6) 0.88553(4) 0.073(2) Uani 0.5999(17) 1 d D U P A 1
C10A C 0.42721(7) 0.65170(10) 0.88826(5) 0.081(3) Uani 0.5999(17) 1 d D U P A 1
C11A C 0.37614(6) 0.61242(9) 0.91506(7) 0.073(2) Uani 0.5999(17) 1 d D U P A 1
C12A C 0.39577(5) 0.53177(6) 0.93708(5) 0.070(2) Uani 0.5999(17) 1 d D U P A 1
C13A C 0.33144(7) 0.47369(7) 0.93338(8) 0.075(2) Uani 0.5999(17) 1 d D U P A 1
C14A C 0.25109(7) 0.49430(8) 0.90605(7) 0.089(4) Uani 0.5999(17) 1 d D U P A 1
C15A C 0.23201(7) 0.57397(7) 0.88126(4) 0.085(3) Uani 0.5999(17) 1 d D U P A 1
C16A C 0.29550(7) 0.63321(9) 0.88755(6) 0.078(2) Uani 0.5999(17) 1 d D U P A 1
C17A C 0.29718(7) 0.68524(11) 0.84360(5) 0.087(3) Uani 0.5999(17) 1 d D U P A 1
C18A C 0.23348(7) 0.68153(8) 0.79347(4) 0.087(3) Uani 0.5999(17) 1 d D U P A 1
C19A C 0.16020(8) 0.63950(8) 0.79350(4) 0.084(3) Uani 0.5999(17) 1 d D U P A 1
C20A C 0.16084(9) 0.58209(7) 0.83565(4) 0.085(3) Uani 0.5999(17) 1 d D U P A 1
C21A C 0.11917(8) 0.51074(7) 0.81070(4) 0.095(3) Uani 0.5999(17) 1 d D U P A 1
C22A C 0.08472(8) 0.52792(7) 0.75449(4) 0.083(2) Uani 0.5999(17) 1 d D U P A 1
C23A C 0.10993(8) 0.60730(7) 0.74379(4) 0.086(3) Uani 0.5999(17) 1 d D U P A 1
C24A C 0.13984(7) 0.60205(7) 0.69714(4) 0.085(3) Uani 0.5999(17) 1 d D U P A 1
C25A C 0.13439(7) 0.51936(6) 0.67950(4) 0.077(2) Uani 0.5999(17) 1 d D U P A 1
C26A C 0.09939(7) 0.47383(6) 0.71451(4) 0.077(2) Uani 0.5999(17) 1 d D U P A 1
C27A C 0.12774(8) 0.39305(8) 0.73047(5) 0.094(3) Uani 0.5999(17) 1 d D U P A 1
C28A C 0.17952(7) 0.35346(8) 0.70471(5) 0.083(3) Uani 0.5999(17) 1 d D U P A 1
C29A C 0.21254(5) 0.39689(7) 0.66670(5) 0.0691(19) Uani 0.5999(17) 1 d D U P A
1
C30A C 0.19584(5) 0.48372(6) 0.65827(5) 0.070(3) Uani 0.5999(17) 1 d D U P A 1
C31A C 0.25794(5) 0.53716(6) 0.64825(6) 0.076(2) Uani 0.5999(17) 1 d D U P A 1
C32A C 0.32933(6) 0.50178(6) 0.63790(6) 0.084(3) Uani 0.5999(17) 1 d D U P A 1
C33A C 0.33742(6) 0.41455(7) 0.63634(5) 0.0707(19) Uani 0.5999(17) 1 d D U P A
1
C34A C 0.28483(6) 0.36263(7) 0.65617(6) 0.076(2) Uani 0.5999(17) 1 d D U P A 1
C35A C 0.33438(6) 0.30841(7) 0.69513(5) 0.083(3) Uani 0.5999(17) 1 d D U P A 1
C36A C 0.41675(6) 0.32967(7) 0.70202(5) 0.085(3) Uani 0.5999(17) 1 d D U P A 1
C37A C 0.41848(6) 0.39409(7) 0.66450(5) 0.084(2) Uani 0.5999(17) 1 d D U P A 1
C38A C 0.46078(6) 0.46806(6) 0.68382(5) 0.087(3) Uani 0.5999(17) 1 d D U P A 1
C39A C 0.51573(6) 0.47110(6) 0.73801(4) 0.086(3) Uani 0.5999(17) 1 d D U P A 1
C40A C 0.52470(8) 0.40073(7) 0.77272(3) 0.089(3) Uani 0.5999(17) 1 d D U P A 1
C41A C 0.47181(6) 0.33182(7) 0.75636(4) 0.084(3) Uani 0.5999(17) 1 d D U P A 1
C42A C 0.44994(7) 0.28444(10) 0.79765(4) 0.072(2) Uani 0.5999(17) 1 d D U P A 1
C43A C 0.48446(6) 0.30217(6) 0.85307(4) 0.073(2) Uani 0.5999(17) 1 d D U P A 1
C44A C 0.42297(6) 0.30134(6) 0.87933(4) 0.080(2) Uani 0.5999(17) 1 d D U P A 1
C45A C 0.35151(7) 0.27448(11) 0.84136(4) 0.079(2) Uani 0.5999(17) 1 d D U P A 1
C46A C 0.36860(7) 0.26243(11) 0.79093(4) 0.088(3) Uani 0.5999(17) 1 d D U P A 1
C47A C 0.30877(5) 0.28119(7) 0.74085(4) 0.092(3) Uani 0.5999(17) 1 d D U P A 1
C48A C 0.22782(7) 0.29904(10) 0.74261(4) 0.086(3) Uani 0.5999(17) 1 d D U P A 1
C49A C 0.21124(8) 0.31136(11) 0.79300(5) 0.096(3) Uani 0.5999(17) 1 d D U P A 1
C50A C 0.27472(8) 0.30747(11) 0.84271(5) 0.088(3) Uani 0.5999(17) 1 d D U P A 1
C51A C 0.27191(8) 0.36209(9) 0.88654(6) 0.0652(19) Uani 0.5999(17) 1 d D U P A
1
C52A C 0.21399(9) 0.42415(8) 0.87830(6) 0.090(3) Uani 0.5999(17) 1 d D U P A 1
C53A C 0.15288(8) 0.43129(6) 0.82688(4) 0.093(3) Uani 0.5999(17) 1 d D U P A 1
C54A C 0.15081(9) 0.37111(9) 0.78565(5) 0.090(3) Uani 0.5999(17) 1 d D U P A 1
C55A C 0.34316(7) 0.39111(8) 0.92267(7) 0.072(2) Uani 0.5999(17) 1 d D U P A 1
C56A C 0.42098(6) 0.36310(6) 0.91857(4) 0.077(2) Uani 0.5999(17) 1 d D U P A 1
C57A C 0.56664(7) 0.55826(6) 0.81910(4) 0.087(3) Uani 0.5999(17) 1 d D U P A 1
C58A C 0.52598(8) 0.62223(8) 0.83673(4) 0.073(2) Uani 0.5999(17) 1 d D U P A 1
C59A C 0.47483(8) 0.65947(10) 0.79021(4) 0.076(2) Uani 0.5999(17) 1 d D U P A 1
C60A C 0.48216(8) 0.61649(9) 0.74398(5) 0.080(2) Uani 0.5999(17) 1 d D U P A 1
C61A C 0.53506(10) 0.55052(8) 0.76222(5) 0.086(3) Uani 0.5999(17) 1 d D U P A 1
C62A C 0.40683(6) 0.53443(6) 0.66509(5) 0.076(2) Uani 0.5999(17) 1 d D U P A 1
C63A C 0.41310(8) 0.60659(9) 0.69754(5) 0.075(2) Uani 0.5999(17) 1 d D U P A 1
C64A C 0.34140(7) 0.65218(9) 0.69568(5) 0.079(3) Uani 0.5999(17) 1 d D U P A 1
C65A C 0.26495(6) 0.61951(8) 0.66923(5) 0.086(3) Uani 0.5999(17) 1 d D U P A 1
C66A C 0.20961(6) 0.64980(7) 0.69599(4) 0.079(2) Uani 0.5999(17) 1 d D U P A 1
C67A C 0.25328(6) 0.69207(7) 0.74284(4) 0.073(2) Uani 0.5999(17) 1 d D U P A 1
C68A C 0.33462(7) 0.69572(11) 0.74182(5) 0.072(2) Uani 0.5999(17) 1 d D U P A 1
C69A C 0.39850(7) 0.69211(12) 0.79171(4) 0.077(2) Uani 0.5999(17) 1 d D U P A 1
C70A C 0.37825(6) 0.69311(11) 0.84264(5) 0.085(3) Uani 0.5999(17) 1 d D U P A 1
Sc1B Sc 0.44978(14) 0.5114(2) 0.84573(12) 0.0774(9) Uani 0.4001(17) 1 d . . P A
2
Sc2B Sc 0.35295(10) 0.52880(17) 0.72141(8) 0.0649(7) Uani 0.4001(17) 1 d . . P
A 2
Sc3B Sc 0.22160(12) 0.4714(3) 0.77946(11) 0.0882(11) Uani 0.4001(17) 1 d . . P
A 2
N1B N 0.3408(12) 0.5040(6) 0.7933(8) 0.027(2) Uani 0.4001(17) 1 d . . P A 2
C1B C 0.55782(7) 0.57429(6) 0.91198(4) 0.128(6) Uani 0.4001(17) 1 d D U P A 2
C2B C 0.54979(7) 0.62210(6) 0.86452(4) 0.131(6) Uani 0.4001(17) 1 d D U P A 2
C3B C 0.56814(7) 0.57210(6) 0.82437(4) 0.129(6) Uani 0.4001(17) 1 d D U P A 2
C4B C 0.58921(7) 0.49388(6) 0.84757(4) 0.124(7) Uani 0.4001(17) 1 d D U P A 2
C5B C 0.58202(7) 0.49515(6) 0.90142(4) 0.109(7) Uani 0.4001(17) 1 d D U P A 2
C6B C 0.53063(6) 0.43827(6) 0.91688(4) 0.141(6) Uani 0.4001(17) 1 d D U P A 2
C7B C 0.47882(6) 0.48237(6) 0.94103(4) 0.111(6) Uani 0.4001(17) 1 d D U P A 2
C8B C 0.49165(6) 0.56671(6) 0.93428(4) 0.105(5) Uani 0.4001(17) 1 d D U P A 2
C9B C 0.42417(5) 0.62092(6) 0.91677(4) 0.135(6) Uani 0.4001(17) 1 d D U P A 2
C10B C 0.34752(7) 0.59368(8) 0.92228(6) 0.129(6) Uani 0.4001(17) 1 d D U P A 2
C11B C 0.33567(7) 0.51095(7) 0.93359(7) 0.124(6) Uani 0.4001(17) 1 d D U P A 2
C12B C 0.39909(5) 0.45258(6) 0.93656(5) 0.106(4) Uani 0.4001(17) 1 d D U P A 2
C13B C 0.37826(7) 0.37145(9) 0.91507(7) 0.098(5) Uani 0.4001(17) 1 d D U P A 2
C14B C 0.29739(7) 0.35107(9) 0.88898(7) 0.113(5) Uani 0.4001(17) 1 d D U P A 2
C15B C 0.23415(7) 0.41129(7) 0.88332(4) 0.121(5) Uani 0.4001(17) 1 d D U P A 2
C16B C 0.25444(7) 0.49064(7) 0.90735(7) 0.125(7) Uani 0.4001(17) 1 d D U P A 2
C17B C 0.21643(8) 0.56118(8) 0.87970(6) 0.132(6) Uani 0.4001(17) 1 d D U P A 2
C18B C 0.15487(8) 0.55338(6) 0.82877(4) 0.135(6) Uani 0.4001(17) 1 d D U P A 2
C19B C 0.11974(9) 0.47411(7) 0.81361(4) 0.126(5) Uani 0.4001(17) 1 d D U P A 2
C20B C 0.16186(9) 0.40288(7) 0.83859(4) 0.111(5) Uani 0.4001(17) 1 d D U P A 2
C21B C 0.15969(8) 0.34480(7) 0.79663(4) 0.117(5) Uani 0.4001(17) 1 d D U P A 2
C22B C 0.10831(8) 0.37612(7) 0.74722(4) 0.148(6) Uani 0.4001(17) 1 d D U P A 2
C23B C 0.08361(8) 0.45586(6) 0.75759(4) 0.119(5) Uani 0.4001(17) 1 d D U P A 2
C24B C 0.09667(8) 0.50901(6) 0.71660(4) 0.141(6) Uani 0.4001(17) 1 d D U P A 2
C25B C 0.13063(7) 0.46257(6) 0.68142(4) 0.141(6) Uani 0.4001(17) 1 d D U P A 2
C26B C 0.13683(7) 0.38033(6) 0.69994(4) 0.130(6) Uani 0.4001(17) 1 d D U P A 2
C27B C 0.20543(7) 0.33259(9) 0.69809(5) 0.140(6) Uani 0.4001(17) 1 d D U P A 2
C28B C 0.25921(6) 0.36132(8) 0.66979(5) 0.146(7) Uani 0.4001(17) 1 d D U P A 2
C29B C 0.25173(5) 0.44308(6) 0.64793(6) 0.136(6) Uani 0.4001(17) 1 d D U P A 2
C30B C 0.19114(5) 0.49717(6) 0.65885(5) 0.094(5) Uani 0.4001(17) 1 d D U P A 2
C31B C 0.20885(5) 0.58421(7) 0.66673(5) 0.115(5) Uani 0.4001(17) 1 d D U P A 2
C32B C 0.27998(6) 0.61745(7) 0.65480(6) 0.119(5) Uani 0.4001(17) 1 d D U P A 2
C33B C 0.33130(6) 0.56486(6) 0.63412(5) 0.100(4) Uani 0.4001(17) 1 d D U P A 2
C34B C 0.32293(6) 0.47784(6) 0.63615(6) 0.121(5) Uani 0.4001(17) 1 d D U P A 2
C35B C 0.40057(6) 0.44506(6) 0.66271(5) 0.109(4) Uani 0.4001(17) 1 d D U P A 2
C36B C 0.45551(6) 0.51113(6) 0.68007(5) 0.117(5) Uani 0.4001(17) 1 d D U P A 2
C37B C 0.41288(6) 0.58517(7) 0.66105(5) 0.116(5) Uani 0.4001(17) 1 d D U P A 2
C38B C 0.41262(6) 0.64984(6) 0.69858(5) 0.127(5) Uani 0.4001(17) 1 d D U P A 2
C39B C 0.46884(6) 0.64800(7) 0.75235(4) 0.145(6) Uani 0.4001(17) 1 d D U P A 2
C40B C 0.52213(8) 0.57947(6) 0.76830(3) 0.137(6) Uani 0.4001(17) 1 d D U P A 2
C41B C 0.51233(6) 0.50865(6) 0.73379(4) 0.108(5) Uani 0.4001(17) 1 d D U P A 2
C42B C 0.53145(9) 0.42937(8) 0.75856(5) 0.098(4) Uani 0.4001(17) 1 d D U P A 2
C43B C 0.56446(7) 0.42247(6) 0.81523(4) 0.109(5) Uani 0.4001(17) 1 d D U P A 2
C44B C 0.52432(6) 0.35912(6) 0.83402(4) 0.136(6) Uani 0.4001(17) 1 d D U P A 2
C45B C 0.47216(8) 0.32079(10) 0.78819(5) 0.128(6) Uani 0.4001(17) 1 d D U P A 2
C46B C 0.47775(8) 0.36336(9) 0.74126(5) 0.100(4) Uani 0.4001(17) 1 d D U P A 2
C47B C 0.40750(6) 0.37349(6) 0.69580(5) 0.127(5) Uani 0.4001(17) 1 d D U P A 2
C48B C 0.33568(7) 0.32835(9) 0.69526(5) 0.135(6) Uani 0.4001(17) 1 d D U P A 2
C49B C 0.33034(7) 0.28634(11) 0.74225(5) 0.133(6) Uani 0.4001(17) 1 d D U P A 2
C50B C 0.39557(7) 0.28914(12) 0.79106(5) 0.126(6) Uani 0.4001(17) 1 d D U P A 2
C51B C 0.37708(7) 0.29052(11) 0.84283(5) 0.138(6) Uani 0.4001(17) 1 d D U P A 2
C52B C 0.29737(7) 0.29912(11) 0.84511(6) 0.136(6) Uani 0.4001(17) 1 d D U P A 2
C53B C 0.23181(7) 0.30149(7) 0.79569(4) 0.138(6) Uani 0.4001(17) 1 d D U P A 2
C54B C 0.25012(7) 0.29095(11) 0.74463(5) 0.104(5) Uani 0.4001(17) 1 d D U P A 2
C55B C 0.42745(7) 0.33159(10) 0.88748(6) 0.127(6) Uani 0.4001(17) 1 d D U P A 2
C56B C 0.50147(6) 0.36947(6) 0.88334(4) 0.134(6) Uani 0.4001(17) 1 d D U P A 2
C57B C 0.48555(6) 0.67986(6) 0.84925(4) 0.140(6) Uani 0.4001(17) 1 d D U P A 2
C58B C 0.42545(6) 0.68170(10) 0.87663(5) 0.144(7) Uani 0.4001(17) 1 d D U P A 2
C59B C 0.35332(7) 0.70766(11) 0.83925(4) 0.138(6) Uani 0.4001(17) 1 d D U P A 2
C60B C 0.36860(7) 0.71918(11) 0.78831(4) 0.140(6) Uani 0.4001(17) 1 d D U P A 2
C61B C 0.44922(7) 0.69672(11) 0.79376(4) 0.130(6) Uani 0.4001(17) 1 d D U P A 2
C62B C 0.33084(6) 0.67222(7) 0.69269(5) 0.137(6) Uani 0.4001(17) 1 d D U P A 2
C63B C 0.30711(7) 0.70061(11) 0.73888(5) 0.154(7) Uani 0.4001(17) 1 d D U P A 2
C64B C 0.22704(7) 0.68354(10) 0.74212(4) 0.139(6) Uani 0.4001(17) 1 d D U P A 2
C65B C 0.17721(7) 0.62891(8) 0.70497(5) 0.140(6) Uani 0.4001(17) 1 d D U P A 2
C66B C 0.12578(7) 0.59061(6) 0.73178(4) 0.143(6) Uani 0.4001(17) 1 d D U P A 2
C67B C 0.15074(7) 0.61337(6) 0.78701(4) 0.155(7) Uani 0.4001(17) 1 d D U P A 2
C68B C 0.21187(8) 0.67285(10) 0.79314(4) 0.135(6) Uani 0.4001(17) 1 d D U P A 2
C69B C 0.27732(7) 0.67597(11) 0.84220(5) 0.136(6) Uani 0.4001(17) 1 d D U P A 2
C70B C 0.27517(7) 0.62331(9) 0.88682(5) 0.113(5) Uani 0.4001(17) 1 d D U P A 2
C1S C 0.9186(8) 0.0024(3) 0.4952(6) 0.131(4) Uani 1 1 d . . . B 3
H1S H 0.862537 0.003775 0.491400 0.157 Uiso 1 1 calc R U . B 3
C2S C 0.9673(9) -0.0130(4) 0.5416(5) 0.129(3) Uani 1 1 d . . . B 3
H2S H 0.945775 -0.021995 0.571372 0.154 Uiso 1 1 calc R U . B 3
C3S C 0.9470(11) 0.0173(5) 0.4491(5) 0.160(5) Uani 1 1 d . . . B 3
H3S H 0.911696 0.029426 0.414491 0.192 Uiso 1 1 calc R U . B 3
C4S C 0.7081(4) 0.4858(4) 0.7186(4) 0.102(2) Uani 1 1 d . . . C 3
C5S C 0.6814(4) 0.5597(3) 0.6946(4) 0.098(2) Uani 1 1 d . . . C 3
H5S H 0.701012 0.609123 0.712489 0.118 Uiso 1 1 calc R U . C 3
C6S C 0.6248(4) 0.5606(3) 0.6431(3) 0.097(2) Uani 1 1 d . . . C 3
H6S H 0.605169 0.611021 0.626615 0.116 Uiso 1 1 calc R U . C 3
C7S C 0.5984(5) 0.4904(3) 0.6173(4) 0.096(2) Uani 1 1 d . . . C 3
H7S H 0.560937 0.491840 0.582433 0.116 Uiso 1 1 calc R U . C 3
C8S C 0.6248(5) 0.4167(3) 0.6407(3) 0.100(2) Uani 1 1 d . . . C 3
H8S H 0.605334 0.367378 0.622464 0.120 Uiso 1 1 calc R U . C 3
C9S C 0.6809(4) 0.4155(3) 0.6916(4) 0.100(2) Uani 1 1 d . . . C 3
H9S H 0.700446 0.364822 0.707757 0.119 Uiso 1 1 calc R U . C 3
C10S C 0.7663(6) 0.4856(6) 0.7781(6) 0.149(4) Uani 1 1 d . . . C 3
H10A H 0.759418 0.536242 0.796442 0.224 Uiso 1 1 calc R U . C 3
H10B H 0.822009 0.481278 0.776581 0.224 Uiso 1 1 calc R U . C 3
H10C H 0.753499 0.439245 0.798190 0.224 Uiso 1 1 calc R U . C 3
Ni1P Ni 0.08725(2) 0.48414(3) 0.54968(2) 0.02724(15) Uani 0.7859(13) 1 d D . P
D 4
N1P N 0.02058(8) 0.56628(7) 0.57146(7) 0.0297(5) Uani 0.7859(13) 1 d D . P D 4
N2P N 0.15176(8) 0.57027(7) 0.52945(7) 0.0334(6) Uani 0.7859(13) 1 d D . P D 4
N3P N 0.15597(8) 0.40178(7) 0.53042(7) 0.0327(6) Uani 0.7859(13) 1 d D . P D 4
N4P N 0.02577(8) 0.39854(7) 0.57323(7) 0.0309(5) Uani 0.7859(13) 1 d D . P D 4
C1P C -0.04244(9) 0.55443(8) 0.59380(8) 0.0314(6) Uani 0.7859(13) 1 d D . P D 4
C2P C -0.07462(9) 0.62991(9) 0.60649(7) 0.0361(7) Uani 0.7859(13) 1 d D . P D 4
C3P C -0.03074(10) 0.68963(8) 0.59183(8) 0.0377(7) Uani 0.7859(13) 1 d D . P D
4
C4P C 0.02781(9) 0.64996(9) 0.56986(8) 0.0329(6) Uani 0.7859(13) 1 d D . P D 4
C5P C 0.08391(9) 0.69001(11) 0.55109(8) 0.0370(7) Uani 0.7859(13) 1 d D . P D 4
H5P H 0.082133 0.747728 0.550454 0.044 Uiso 0.7859(13) 1 calc R U P D 4
C6P C 0.14254(9) 0.65272(9) 0.53313(8) 0.0354(7) Uani 0.7859(13) 1 d D . P D 4
C7P C 0.20384(10) 0.69660(8) 0.51611(9) 0.0449(9) Uani 0.7859(13) 1 d D . P D 4
C8P C 0.25097(9) 0.64006(9) 0.50247(9) 0.0465(9) Uani 0.7859(13) 1 d D . P D 4
C9P C 0.21854(10) 0.56176(8) 0.50999(9) 0.0394(7) Uani 0.7859(13) 1 d D . P D 4
C10P C 0.24951(12) 0.48821(8) 0.50043(11) 0.0417(8) Uani 0.7859(13) 1 d D . P D
4
H10P H 0.294031 0.489267 0.485630 0.050 Uiso 0.7859(13) 1 calc R U P D 4
C11P C 0.22183(9) 0.41350(8) 0.51036(9) 0.0373(7) Uani 0.7859(13) 1 d D . P D 4
C12P C 0.25731(9) 0.33672(9) 0.50273(8) 0.0436(8) Uani 0.7859(13) 1 d D . P D 4
C13P C 0.21427(10) 0.27823(8) 0.51831(8) 0.0410(8) Uani 0.7859(13) 1 d D . P D
4
C14P C 0.15133(9) 0.31892(9) 0.53528(8) 0.0351(7) Uani 0.7859(13) 1 d D . P D 4
C15P C 0.09570(9) 0.27802(11) 0.55432(8) 0.0363(7) Uani 0.7859(13) 1 d D . P D
4
H15P H 0.097429 0.220296 0.554740 0.044 Uiso 0.7859(13) 1 calc R U P D 4
C16P C 0.03768(9) 0.31568(9) 0.57282(8) 0.0329(6) Uani 0.7859(13) 1 d D . P D 4
C17P C -0.01855(10) 0.27207(8) 0.59520(8) 0.0377(7) Uani 0.7859(13) 1 d D . P D
4
C18P C -0.06503(9) 0.32909(9) 0.60930(7) 0.0376(7) Uani 0.7859(13) 1 d D . P D
4
C19P C -0.03768(9) 0.40709(8) 0.59519(8) 0.0330(6) Uani 0.7859(13) 1 d D . P D
4
C20P C -0.07050(12) 0.48002(8) 0.60446(11) 0.0344(7) Uani 0.7859(13) 1 d D . P
D 4
H20P H -0.115176 0.478781 0.619100 0.041 Uiso 0.7859(13) 1 calc R U P D 4
C21P C -0.14113(11) 0.63692(19) 0.63337(8) 0.0432(8) Uani 0.7859(13) 1 d D . P
D 4
H21A H -0.181670 0.594202 0.618964 0.052 Uiso 0.7859(13) 1 calc R U P D 4
H21B H -0.167738 0.690386 0.624437 0.052 Uiso 0.7859(13) 1 calc R U P D 4
C22P C -0.1103(2) 0.6283(3) 0.69504(8) 0.0497(11) Uani 0.7859(13) 1 d D . P D 4
H22A H -0.088038 0.573656 0.704148 0.075 Uiso 0.7859(13) 1 calc R U P D 4
H22B H -0.154678 0.636819 0.711160 0.075 Uiso 0.7859(13) 1 calc R U P D 4
H22C H -0.068285 0.668838 0.709295 0.075 Uiso 0.7859(13) 1 calc R U P D 4
C23P C -0.03624(17) 0.77952(10) 0.59856(11) 0.0460(9) Uani 0.7859(13) 1 d D . P
D 4
H23A H -0.091230 0.793659 0.599809 0.055 Uiso 0.7859(13) 1 calc R U P D 4
H23B H -0.026286 0.807238 0.566823 0.055 Uiso 0.7859(13) 1 calc R U P D 4
C24P C 0.0241(2) 0.80993(18) 0.65009(13) 0.0566(11) Uani 0.7859(13) 1 d D . P D
4
H24A H 0.078750 0.799194 0.647974 0.085 Uiso 0.7859(13) 1 calc R U P D 4
H24B H 0.015304 0.781613 0.681538 0.085 Uiso 0.7859(13) 1 calc R U P D 4
H24C H 0.016931 0.868524 0.653860 0.085 Uiso 0.7859(13) 1 calc R U P D 4
C25P C 0.21179(19) 0.78720(10) 0.51735(12) 0.0634(13) Uani 0.7859(13) 1 d D . P
D 4
H25A H 0.158014 0.811911 0.502819 0.076 Uiso 0.7859(13) 1 calc R U P D 4
H25B H 0.245406 0.803880 0.493687 0.076 Uiso 0.7859(13) 1 calc R U P D 4
C26P C 0.2496(5) 0.8191(2) 0.57487(13) 0.097(3) Uani 0.7859(13) 1 d D . P D 4
H26A H 0.257170 0.878000 0.573689 0.146 Uiso 0.7859(13) 1 calc R U P D 4
H26B H 0.301784 0.792744 0.590053 0.146 Uiso 0.7859(13) 1 calc R U P D 4
H26C H 0.214175 0.806779 0.597658 0.146 Uiso 0.7859(13) 1 calc R U P D 4
C27P C 0.32615(11) 0.6530(2) 0.48530(11) 0.0730(17) Uani 0.7859(13) 1 d D . P D
4
H27A H 0.324096 0.707450 0.468478 0.088 Uiso 0.7859(13) 1 calc R U P D 4
H27B H 0.328613 0.612008 0.457606 0.088 Uiso 0.7859(13) 1 calc R U P D 4
C28P C 0.40140(14) 0.6468(6) 0.53233(19) 0.116(3) Uani 0.7859(13) 1 d D . P D 4
H28A H 0.448740 0.655294 0.519173 0.175 Uiso 0.7859(13) 1 calc R U P D 4
H28B H 0.404114 0.592817 0.548831 0.175 Uiso 0.7859(13) 1 calc R U P D 4
H28C H 0.399999 0.688386 0.559403 0.175 Uiso 0.7859(13) 1 calc R U P D 4
C29P C 0.33214(11) 0.3265(2) 0.48418(10) 0.0595(12) Uani 0.7859(13) 1 d D . P D
4
H29A H 0.326913 0.276631 0.461850 0.071 Uiso 0.7859(13) 1 calc R U P D 4
H29B H 0.337082 0.373264 0.461081 0.071 Uiso 0.7859(13) 1 calc R U P D 4
C30P C 0.40693(14) 0.3206(6) 0.53059(18) 0.107(3) Uani 0.7859(13) 1 d D . P D 4
H30A H 0.451370 0.300958 0.517274 0.161 Uiso 0.7859(13) 1 calc R U P D 4
H30B H 0.397945 0.282607 0.557729 0.161 Uiso 0.7859(13) 1 calc R U P D 4
H30C H 0.420292 0.374343 0.547064 0.161 Uiso 0.7859(13) 1 calc R U P D 4
C31P C 0.22786(18) 0.18700(10) 0.52103(11) 0.0524(10) Uani 0.7859(13) 1 d D . P
D 4
H31A H 0.264967 0.172796 0.499266 0.063 Uiso 0.7859(13) 1 calc R U P D 4
H31B H 0.176084 0.159339 0.504598 0.063 Uiso 0.7859(13) 1 calc R U P D 4
C32P C 0.2628(4) 0.1553(2) 0.57896(12) 0.0787(19) Uani 0.7859(13) 1 d D . P D 4
H32A H 0.276456 0.097628 0.577789 0.118 Uiso 0.7859(13) 1 calc R U P D 4
H32B H 0.222916 0.161710 0.599288 0.118 Uiso 0.7859(13) 1 calc R U P D 4
H32C H 0.311198 0.186204 0.596811 0.118 Uiso 0.7859(13) 1 calc R U P D 4
C33P C -0.01956(17) 0.18169(10) 0.60277(12) 0.0492(9) Uani 0.7859(13) 1 d D . P
D 4
H33A H -0.007329 0.154764 0.571502 0.059 Uiso 0.7859(13) 1 calc R U P D 4
H33B H -0.074181 0.164789 0.603265 0.059 Uiso 0.7859(13) 1 calc R U P D 4
C34P C 0.0407(3) 0.15304(19) 0.65494(14) 0.0675(15) Uani 0.7859(13) 1 d D . P D
4
H34A H 0.094770 0.170625 0.655112 0.101 Uiso 0.7859(13) 1 calc R U P D 4
H34B H 0.039203 0.093589 0.656972 0.101 Uiso 0.7859(13) 1 calc R U P D 4
H34C H 0.026700 0.176501 0.686208 0.101 Uiso 0.7859(13) 1 calc R U P D 4
C35P C -0.13047(11) 0.31892(19) 0.63665(8) 0.0470(9) Uani 0.7859(13) 1 d D . P
D 4
H35A H -0.151704 0.262782 0.630762 0.056 Uiso 0.7859(13) 1 calc R U P D 4
H35B H -0.174980 0.356719 0.620138 0.056 Uiso 0.7859(13) 1 calc R U P D 4
C36P C -0.1002(2) 0.3356(3) 0.69773(9) 0.0536(12) Uani 0.7859(13) 1 d D . P D 4
H36A H -0.076879 0.390242 0.703710 0.080 Uiso 0.7859(13) 1 calc R U P D 4
H36B H -0.059256 0.295361 0.714690 0.080 Uiso 0.7859(13) 1 calc R U P D 4
H36C H -0.145199 0.331883 0.713812 0.080 Uiso 0.7859(13) 1 calc R U P D 4
Ni1Q Ni 0.08823(5) 0.51596(4) 0.54945(5) 0.02724(15) Uani 0.2141(13) 1 d D . P
D 5
N1Q N 0.02486(8) 0.59941(7) 0.57316(8) 0.0346(13) Uani 0.2141(13) 1 d D U P D 5
N2Q N 0.15548(8) 0.60064(7) 0.53054(8) 0.0404(14) Uani 0.2141(13) 1 d D U P D 5
N3Q N 0.15379(8) 0.43214(7) 0.52838(8) 0.0412(14) Uani 0.2141(13) 1 d D U P D 5
N4Q N 0.02385(8) 0.43160(7) 0.57148(8) 0.0358(13) Uani 0.2141(13) 1 d D U P D 5
C1Q C -0.03828(10) 0.58882(8) 0.59554(9) 0.0352(12) Uani 0.2141(13) 1 d D U P D
5
C2Q C -0.06727(10) 0.66479(9) 0.61015(8) 0.0365(12) Uani 0.2141(13) 1 d D U P D
5
C3Q C -0.02192(10) 0.72361(8) 0.59600(9) 0.0376(13) Uani 0.2141(13) 1 d D U P D
5
C4Q C 0.03519(9) 0.68283(9) 0.57326(9) 0.0370(12) Uani 0.2141(13) 1 d D U P D 5
C5Q C 0.09249(10) 0.72169(12) 0.55504(10) 0.0386(13) Uani 0.2141(13) 1 d D U P
D 5
H5Q H 0.092970 0.779433 0.555716 0.046 Uiso 0.2141(13) 1 calc R U P D 5
C6Q C 0.14930(9) 0.68320(9) 0.53587(10) 0.0405(13) Uani 0.2141(13) 1 d D U P D
5
C7Q C 0.21118(10) 0.72574(8) 0.51866(9) 0.0429(13) Uani 0.2141(13) 1 d D U P D
5
C8Q C 0.25457(9) 0.66833(9) 0.50214(10) 0.0434(13) Uani 0.2141(13) 1 d D U P D
5
C9Q C 0.22137(11) 0.59070(8) 0.51031(11) 0.0416(13) Uani 0.2141(13) 1 d D U P D
5
C10Q C 0.25008(14) 0.51653(8) 0.49972(14) 0.0415(14) Uani 0.2141(13) 1 d D U P
D 5
H10Q H 0.294636 0.516656 0.484952 0.050 Uiso 0.2141(13) 1 calc R U P D 5
C11Q C 0.22010(10) 0.44243(8) 0.50860(10) 0.0420(13) Uani 0.2141(13) 1 d D U P
D 5
C12Q C 0.25356(9) 0.36488(9) 0.50026(9) 0.0442(14) Uani 0.2141(13) 1 d D U P D
5
C13Q C 0.20734(10) 0.30726(8) 0.51354(10) 0.0447(14) Uani 0.2141(13) 1 d D U P
D 5
C14Q C 0.14617(9) 0.34934(9) 0.53162(9) 0.0415(13) Uani 0.2141(13) 1 d D U P D
5
C15Q C 0.08921(10) 0.30960(11) 0.54999(10) 0.0400(14) Uani 0.2141(13) 1 d D U P
D 5
H15Q H 0.088902 0.251860 0.549324 0.048 Uiso 0.2141(13) 1 calc R U P D 5
C16Q C 0.03262(10) 0.34845(9) 0.56929(9) 0.0376(12) Uani 0.2141(13) 1 d D U P D
5
C17Q C -0.02507(10) 0.30591(8) 0.59092(9) 0.0383(13) Uani 0.2141(13) 1 d D U P
D 5
C18Q C -0.06943(10) 0.36388(9) 0.60620(8) 0.0367(12) Uani 0.2141(13) 1 d D U P
D 5
C19Q C -0.03914(10) 0.44141(8) 0.59375(10) 0.0354(12) Uani 0.2141(13) 1 d D U P
D 5
C20Q C -0.06908(13) 0.51501(8) 0.60470(13) 0.0347(13) Uani 0.2141(13) 1 d D U P
D 5
H20Q H -0.113659 0.514698 0.619442 0.042 Uiso 0.2141(13) 1 calc R U P D 5
C21Q C -0.13230(12) 0.67294(19) 0.63825(9) 0.0376(16) Uani 0.2141(13) 1 d D U P
D 5
H21C H -0.175932 0.633993 0.622123 0.045 Uiso 0.2141(13) 1 calc R U P D 5
H21D H -0.155068 0.728475 0.632347 0.045 Uiso 0.2141(13) 1 calc R U P D 5
C22Q C -0.1010(3) 0.6569(7) 0.69922(9) 0.040(3) Uani 0.2141(13) 1 d D U P D 5
H22D H -0.075411 0.603258 0.705250 0.060 Uiso 0.2141(13) 1 calc R U P D 5
H22E H -0.145887 0.658386 0.715481 0.060 Uiso 0.2141(13) 1 calc R U P D 5
H22F H -0.061652 0.698700 0.715955 0.060 Uiso 0.2141(13) 1 calc R U P D 5
C23Q C -0.02486(18) 0.81348(10) 0.60382(13) 0.0408(16) Uani 0.2141(13) 1 d D U
P D 5
H23C H -0.079143 0.828915 0.605891 0.049 Uiso 0.2141(13) 1 calc R U P D 5
H23D H -0.015049 0.841452 0.572117 0.049 Uiso 0.2141(13) 1 calc R U P D 5
C24Q C 0.0373(4) 0.8416(2) 0.65519(16) 0.048(2) Uani 0.2141(13) 1 d D U P D 5
H24D H 0.015153 0.836054 0.686233 0.072 Uiso 0.2141(13) 1 calc R U P D 5
H24E H 0.050832 0.898729 0.651238 0.072 Uiso 0.2141(13) 1 calc R U P D 5
H24F H 0.085779 0.808252 0.661117 0.072 Uiso 0.2141(13) 1 calc R U P D 5
C25Q C 0.2235(2) 0.81580(10) 0.52266(12) 0.0452(16) Uani 0.2141(13) 1 d D U P D
5
H25C H 0.172470 0.843369 0.504168 0.054 Uiso 0.2141(13) 1 calc R U P D 5
H25D H 0.264018 0.831355 0.503856 0.054 Uiso 0.2141(13) 1 calc R U P D 5
C26Q C 0.2516(10) 0.8445(2) 0.58170(12) 0.051(3) Uani 0.2141(13) 1 d D U P D 5
H26D H 0.204722 0.854093 0.595229 0.076 Uiso 0.2141(13) 1 calc R U P D 5
H26E H 0.282136 0.895100 0.583752 0.076 Uiso 0.2141(13) 1 calc R U P D 5
H26F H 0.285738 0.802747 0.603875 0.076 Uiso 0.2141(13) 1 calc R U P D 5
C27Q C 0.32718(11) 0.6798(2) 0.48181(11) 0.0453(16) Uani 0.2141(13) 1 d D U P D
5
H27C H 0.319352 0.728540 0.458296 0.054 Uiso 0.2141(13) 1 calc R U P D 5
H27D H 0.332800 0.632231 0.459538 0.054 Uiso 0.2141(13) 1 calc R U P D 5
C28Q C 0.40363(15) 0.6897(8) 0.5275(2) 0.050(2) Uani 0.2141(13) 1 d D U P D 5
H28D H 0.446767 0.709168 0.512790 0.075 Uiso 0.2141(13) 1 calc R U P D 5
H28E H 0.418896 0.637244 0.545447 0.075 Uiso 0.2141(13) 1 calc R U P D 5
H28F H 0.394655 0.729207 0.553803 0.075 Uiso 0.2141(13) 1 calc R U P D 5
C29Q C 0.32401(11) 0.3528(2) 0.47725(11) 0.0461(17) Uani 0.2141(13) 1 d D U P D
5
H29C H 0.323868 0.296021 0.464422 0.055 Uiso 0.2141(13) 1 calc R U P D 5
H29D H 0.317832 0.389088 0.445604 0.055 Uiso 0.2141(13) 1 calc R U P D 5
C30Q C 0.40308(14) 0.3700(8) 0.5179(2) 0.051(2) Uani 0.2141(13) 1 d D U P D 5
H30D H 0.446319 0.343745 0.506260 0.077 Uiso 0.2141(13) 1 calc R U P D 5
H30E H 0.402321 0.348659 0.553342 0.077 Uiso 0.2141(13) 1 calc R U P D 5
H30F H 0.412241 0.428831 0.520490 0.077 Uiso 0.2141(13) 1 calc R U P D 5
C31Q C 0.21631(19) 0.21551(10) 0.51309(13) 0.0476(17) Uani 0.2141(13) 1 d D U P
D 5
H31C H 0.246605 0.200727 0.486972 0.057 Uiso 0.2141(13) 1 calc R U P D 5
H31D H 0.162315 0.190638 0.500342 0.057 Uiso 0.2141(13) 1 calc R U P D 5
C32Q C 0.2596(6) 0.1801(2) 0.56876(15) 0.056(3) Uani 0.2141(13) 1 d D U P D 5
H32D H 0.315761 0.197804 0.579191 0.085 Uiso 0.2141(13) 1 calc R U P D 5
H32E H 0.257361 0.120563 0.566973 0.085 Uiso 0.2141(13) 1 calc R U P D 5
H32F H 0.233257 0.199148 0.595707 0.085 Uiso 0.2141(13) 1 calc R U P D 5
C33Q C -0.02929(19) 0.21540(10) 0.59674(13) 0.0403(16) Uani 0.2141(13) 1 d D U
P D 5
H33C H -0.017728 0.189085 0.565055 0.048 Uiso 0.2141(13) 1 calc R U P D 5
H33D H -0.084551 0.200147 0.596740 0.048 Uiso 0.2141(13) 1 calc R U P D 5
C34Q C 0.0296(4) 0.1834(2) 0.64846(16) 0.046(2) Uani 0.2141(13) 1 d D U P D 5
H34D H 0.082453 0.208021 0.652749 0.069 Uiso 0.2141(13) 1 calc R U P D 5
H34E H 0.033873 0.124166 0.646117 0.069 Uiso 0.2141(13) 1 calc R U P D 5
H34F H 0.010170 0.197386 0.679727 0.069 Uiso 0.2141(13) 1 calc R U P D 5
C35Q C -0.13543(12) 0.3549(2) 0.63315(9) 0.0374(15) Uani 0.2141(13) 1 d D U P D
5
H35C H -0.160089 0.300390 0.624906 0.045 Uiso 0.2141(13) 1 calc R U P D 5
H35D H -0.177512 0.395980 0.618345 0.045 Uiso 0.2141(13) 1 calc R U P D 5
C36Q C -0.1043(3) 0.3654(9) 0.69482(9) 0.039(2) Uani 0.2141(13) 1 d D U P D 5
H36D H -0.138721 0.334899 0.712411 0.059 Uiso 0.2141(13) 1 calc R U P D 5
H36E H -0.105143 0.423125 0.704013 0.059 Uiso 0.2141(13) 1 calc R U P D 5
H36F H -0.049181 0.344803 0.707422 0.059 Uiso 0.2141(13) 1 calc R U P D 5


_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 N1A 2.022(14) . ?
Sc1A C8A 2.3525(18) . ?
Sc1A C6A 2.3536(19) . ?
Sc1A C1A 2.3663(19) . ?
Sc1A C5A 2.3712(18) . ?
Sc1A C2A 2.4187(18) . ?
Sc1A C4A 2.4304(17) . ?
Sc1A C7A 2.431(2) . ?
Sc1A C3A 2.446(2) . ?
Sc1A C9A 2.6477(17) . ?
Sc1A C56A 2.6566(19) . ?
Sc1A C57A 2.7678(19) . ?
Sc2A N1A 1.954(12) . ?
Sc2A C33A 2.2514(18) . ?
Sc2A C37A 2.2720(18) . ?
Sc2A C32A 2.3061(18) . ?
Sc2A C34A 2.3177(18) . ?
Sc2A C38A 2.3315(17) . ?
Sc2A C36A 2.3467(16) . ?
Sc2A C62A 2.4042(17) . ?
Sc2A C35A 2.4129(17) . ?
Sc2A C31A 2.6525(16) . ?
Sc2A C29A 2.6658(16) . ?
Sc2A C39A 2.6991(16) . ?
Sc3A N1A 2.049(13) . ?
Sc3A C21A 2.272(2) . ?
Sc3A C22A 2.3371(18) . ?
Sc3A C19A 2.3441(19) . ?
Sc3A C20A 2.3640(19) . ?
Sc3A C23A 2.3808(18) . ?
Sc3A C26A 2.4258(18) . ?
Sc3A C24A 2.4981(19) . ?
Sc3A C25A 2.5144(18) . ?
Sc3A C53A 2.548(2) . ?
Sc3A C18A 2.660(2) . ?
Sc3A C27A 2.753(2) . ?
C1A C5A 1.4168(14) . ?
C1A C8A 1.4222(14) . ?
C1A C2A 1.4244(13) . ?
C2A C3A 1.4222(13) . ?
C2A C57A 1.4331(13) . ?
C3A C4A 1.4224(13) . ?
C3A C40A 1.4448(12) . ?
C4A C5A 1.4224(13) . ?
C4A C43A 1.4340(14) . ?
C5A C6A 1.4221(14) . ?
C6A C7A 1.4234(14) . ?
C6A C56A 1.4271(14) . ?
C7A C8A 1.4233(14) . ?
C7A C12A 1.4403(14) . ?
C8A C9A 1.4398(13) . ?
C9A C58A 1.4407(17) . ?
C9A C10A 1.4455(16) . ?
C10A C70A 1.4162(15) . ?
C10A C11A 1.4183(16) . ?
C11A C16A 1.4217(15) . ?
C11A C12A 1.4453(16) . ?
C12A C13A 1.4512(16) . ?
C13A C55A 1.4118(18) . ?
C13A C14A 1.4159(17) . ?
C14A C52A 1.4138(18) . ?
C14A C15A 1.4544(17) . ?
C15A C16A 1.4450(17) . ?
C15A C20A 1.4524(16) . ?
C16A C17A 1.4231(16) . ?
C17A C70A 1.4180(16) . ?
C17A C18A 1.4462(17) . ?
C18A C67A 1.4444(15) . ?
C18A C19A 1.4461(16) . ?
C19A C23A 1.4326(14) . ?
C19A C20A 1.4343(14) . ?
C20A C21A 1.4328(14) . ?
C21A C22A 1.4290(14) . ?
C21A C53A 1.4447(16) . ?
C22A C23A 1.4276(15) . ?
C22A C26A 1.4337(14) . ?
C23A C24A 1.4339(14) . ?
C24A C25A 1.4286(14) . ?
C24A C66A 1.4489(15) . ?
C25A C26A 1.4281(14) . ?
C25A C30A 1.4480(16) . ?
C26A C27A 1.4366(17) . ?
C27A C54A 1.4086(16) . ?
C27A C28A 1.4129(16) . ?
C28A C48A 1.4133(15) . ?
C28A C29A 1.4493(17) . ?
C29A C30A 1.4615(14) . ?
C29A C34A 1.4657(15) . ?
C30A C31A 1.4666(14) . ?
C31A C65A 1.4505(17) . ?
C31A C32A 1.4568(15) . ?
C32A C62A 1.4351(13) . ?
C32A C33A 1.4433(14) . ?
C33A C37A 1.4304(14) . ?
C33A C34A 1.4411(14) . ?
C34A C35A 1.4343(13) . ?
C35A C36A 1.4322(13) . ?
C35A C47A 1.4372(15) . ?
C36A C37A 1.4380(14) . ?
C36A C41A 1.4562(16) . ?
C37A C38A 1.4362(14) . ?
C38A C62A 1.4311(13) . ?
C38A C39A 1.4529(16) . ?
C39A C40A 1.4429(14) . ?
C39A C61A 1.4456(17) . ?
C40A C41A 1.4450(14) . ?
C41A C42A 1.4486(16) . ?
C42A C43A 1.4130(14) . ?
C42A C46A 1.4188(16) . ?
C43A C44A 1.4103(14) . ?
C44A C45A 1.4177(14) . ?
C44A C56A 1.4381(15) . ?
C45A C46A 1.4202(16) . ?
C45A C50A 1.4464(19) . ?
C46A C47A 1.4438(16) . ?
C47A C48A 1.4462(16) . ?
C48A C49A 1.4155(16) . ?
C49A C54A 1.4103(16) . ?
C49A C50A 1.4371(17) . ?
C50A C51A 1.4515(19) . ?
C51A C52A 1.4060(17) . ?
C51A C55A 1.4064(17) . ?
C52A C53A 1.4504(17) . ?
C53A C54A 1.4425(17) . ?
C55A C56A 1.4563(17) . ?
C57A C58A 1.4093(15) . ?
C57A C61A 1.4164(14) . ?
C58A C59A 1.4145(15) . ?
C59A C60A 1.4174(16) . ?
C59A C69A 1.4380(18) . ?
C60A C61A 1.4140(16) . ?
C60A C63A 1.4456(17) . ?
C62A C63A 1.4370(17) . ?
C63A C64A 1.4407(17) . ?
C64A C65A 1.4165(15) . ?
C64A C68A 1.4169(16) . ?
C65A C66A 1.4164(16) . ?
C66A C67A 1.4137(13) . ?
C67A C68A 1.4185(15) . ?
C68A C69A 1.4436(16) . ?
C69A C70A 1.4452(18) . ?
Sc1B N1B 2.00(2) . ?
Sc1B C6B 2.309(3) . ?
Sc1B C5B 2.356(3) . ?
Sc1B C8B 2.368(3) . ?
Sc1B C1B 2.388(3) . ?
Sc1B C7B 2.406(3) . ?
Sc1B C4B 2.421(3) . ?
Sc1B C2B 2.467(3) . ?
Sc1B C3B 2.476(3) . ?
Sc1B C56B 2.590(4) . ?
Sc1B C9B 2.687(4) . ?
Sc1B C43B 2.751(3) . ?
Sc2B N1B 1.96(2) . ?
Sc2B C33B 2.247(2) . ?
Sc2B C34B 2.266(3) . ?
Sc2B C37B 2.288(2) . ?
Sc2B C36B 2.327(2) . ?
Sc2B C32B 2.335(2) . ?
Sc2B C35B 2.354(3) . ?
Sc2B C38B 2.390(3) . ?
Sc2B C62B 2.470(3) . ?
Sc2B C29B 2.606(3) . ?
Sc2B C31B 2.663(2) . ?
Sc2B C41B 2.712(2) . ?
Sc3B N1B 2.07(2) . ?
Sc3B C19B 2.178(3) . ?
Sc3B C23B 2.314(2) . ?
Sc3B C20B 2.350(3) . ?
Sc3B C18B 2.360(4) . ?
Sc3B C24B 2.395(3) . ?
Sc3B C21B 2.439(3) . ?
Sc3B C22B 2.469(3) . ?
Sc3B C25B 2.578(3) . ?
Sc3B C26B 2.629(4) . ?
Sc3B C66B 2.640(4) . ?
Sc3B C67B 2.670(5) . ?
C1B C5B 1.4168(14) . ?
C1B C8B 1.4222(14) . ?
C1B C2B 1.4244(13) . ?
C2B C3B 1.4222(13) . ?
C2B C57B 1.4331(14) . ?
C3B C4B 1.4224(13) . ?
C3B C40B 1.4448(12) . ?
C4B C5B 1.4224(13) . ?
C4B C43B 1.4340(14) . ?
C5B C6B 1.4221(14) . ?
C6B C7B 1.4234(14) . ?
C6B C56B 1.4271(14) . ?
C7B C8B 1.4233(14) . ?
C7B C12B 1.4404(14) . ?
C8B C9B 1.4398(13) . ?
C9B C58B 1.4407(17) . ?
C9B C10B 1.4455(16) . ?
C10B C70B 1.4162(16) . ?
C10B C11B 1.4183(16) . ?
C11B C16B 1.4217(16) . ?
C11B C12B 1.4453(16) . ?
C12B C13B 1.4512(16) . ?
C13B C55B 1.4118(18) . ?
C13B C14B 1.4159(17) . ?
C14B C52B 1.4138(18) . ?
C14B C15B 1.4544(17) . ?
C15B C16B 1.4450(17) . ?
C15B C20B 1.4524(16) . ?
C16B C17B 1.4231(17) . ?
C17B C70B 1.4180(16) . ?
C17B C18B 1.4462(16) . ?
C18B C67B 1.4444(14) . ?
C18B C19B 1.4461(16) . ?
C19B C23B 1.4326(14) . ?
C19B C20B 1.4343(14) . ?
C20B C21B 1.4328(14) . ?
C21B C22B 1.4290(14) . ?
C21B C53B 1.4447(16) . ?
C22B C23B 1.4276(15) . ?
C22B C26B 1.4337(15) . ?
C23B C24B 1.4339(14) . ?
C24B C25B 1.4286(14) . ?
C24B C66B 1.4489(15) . ?
C25B C26B 1.4281(14) . ?
C25B C30B 1.4480(16) . ?
C26B C27B 1.4366(17) . ?
C27B C54B 1.4086(16) . ?
C27B C28B 1.4129(17) . ?
C28B C48B 1.4133(15) . ?
C28B C29B 1.4493(17) . ?
C29B C30B 1.4615(14) . ?
C29B C34B 1.4657(15) . ?
C30B C31B 1.4666(14) . ?
C31B C65B 1.4505(17) . ?
C31B C32B 1.4568(15) . ?
C32B C62B 1.4351(13) . ?
C32B C33B 1.4433(14) . ?
C33B C37B 1.4304(14) . ?
C33B C34B 1.4411(14) . ?
C34B C35B 1.4343(14) . ?
C35B C36B 1.4322(13) . ?
C35B C47B 1.4372(15) . ?
C36B C37B 1.4380(14) . ?
C36B C41B 1.4562(15) . ?
C37B C38B 1.4362(14) . ?
C38B C62B 1.4311(13) . ?
C38B C39B 1.4529(16) . ?
C39B C40B 1.4429(14) . ?
C39B C61B 1.4456(16) . ?
C40B C41B 1.4450(14) . ?
C41B C42B 1.4486(16) . ?
C42B C43B 1.4130(14) . ?
C42B C46B 1.4188(16) . ?
C43B C44B 1.4103(14) . ?
C44B C45B 1.4177(14) . ?
C44B C56B 1.4381(15) . ?
C45B C46B 1.4202(16) . ?
C45B C50B 1.4464(19) . ?
C46B C47B 1.4438(16) . ?
C47B C48B 1.4462(16) . ?
C48B C49B 1.4155(16) . ?
C49B C54B 1.4103(17) . ?
C49B C50B 1.4371(16) . ?
C50B C51B 1.451(2) . ?
C51B C52B 1.4060(18) . ?
C51B C55B 1.4064(17) . ?
C52B C53B 1.4504(17) . ?
C53B C54B 1.4425(17) . ?
C55B C56B 1.4563(17) . ?
C57B C58B 1.4093(15) . ?
C57B C61B 1.4164(14) . ?
C58B C59B 1.4145(15) . ?
C59B C60B 1.4174(16) . ?
C59B C69B 1.4380(18) . ?
C60B C61B 1.4140(16) . ?
C60B C63B 1.4456(17) . ?
C62B C63B 1.4370(17) . ?
C63B C64B 1.4407(17) . ?
C64B C65B 1.4165(15) . ?
C64B C68B 1.4169(16) . ?
C65B C66B 1.4164(16) . ?
C66B C67B 1.4137(13) . ?
C67B C68B 1.4185(15) . ?
C68B C69B 1.4436(16) . ?
C69B C70B 1.4452(18) . ?
C1S C2S 1.280(15) . ?
C1S C3S 1.423(17) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.439(18) 3_756 ?
C2S H2S 0.9500 . ?
C3S H3S 0.9500 . ?
C4S C9S 1.363(10) . ?
C4S C5S 1.384(9) . ?
C4S C10S 1.579(15) . ?
C5S C6S 1.411(10) . ?
C5S H5S 0.9500 . ?
C6S C7S 1.348(9) . ?
C6S H6S 0.9500 . ?
C7S C8S 1.373(9) . ?
C7S H7S 0.9500 . ?
C8S C9S 1.398(10) . ?
C8S H8S 0.9500 . ?
C9S H9S 0.9500 . ?
C10S H10A 0.9800 . ?
C10S H10B 0.9800 . ?
C10S H10C 0.9800 . ?
Ni1P N3P 1.9559(14) . ?
Ni1P N1P 1.9575(14) . ?
Ni1P N4P 1.9599(15) . ?
Ni1P N2P 1.9619(15) . ?
N1P C1P 1.381(2) . ?
N1P C4P 1.3838(18) . ?
N2P C6P 1.3721(19) . ?
N2P C9P 1.389(2) . ?
N3P C14P 1.3731(19) . ?
N3P C11P 1.390(2) . ?
N4P C19P 1.375(2) . ?
N4P C16P 1.3791(18) . ?
C1P C20P 1.373(2) . ?
C1P C2P 1.435(2) . ?
C2P C3P 1.358(2) . ?
C2P C21P 1.503(2) . ?
C3P C4P 1.446(2) . ?
C3P C23P 1.495(2) . ?
C4P C5P 1.368(2) . ?
C5P C6P 1.372(2) . ?
C5P H5P 0.9500 . ?
C6P C7P 1.448(2) . ?
C7P C8P 1.347(2) . ?
C7P C25P 1.496(2) . ?
C8P C9P 1.440(2) . ?
C8P C27P 1.502(3) . ?
C9P C10P 1.373(2) . ?
C10P C11P 1.369(2) . ?
C10P H10P 0.9500 . ?
C11P C12P 1.442(2) . ?
C12P C13P 1.345(2) . ?
C12P C29P 1.510(2) . ?
C13P C14P 1.446(2) . ?
C13P C31P 1.518(2) . ?
C14P C15P 1.372(2) . ?
C15P C16P 1.373(2) . ?
C15P H15P 0.9500 . ?
C16P C17P 1.451(2) . ?
C17P C18P 1.350(2) . ?
C17P C33P 1.500(2) . ?
C18P C19P 1.448(2) . ?
C18P C35P 1.500(3) . ?
C19P C20P 1.376(2) . ?
C20P H20P 0.9500 . ?
C21P C22P 1.531(3) . ?
C21P H21A 0.9900 . ?
C21P H21B 0.9900 . ?
C22P H22A 0.9800 . ?
C22P H22B 0.9800 . ?
C22P H22C 0.9800 . ?
C23P C24P 1.525(4) . ?
C23P H23A 0.9900 . ?
C23P H23B 0.9900 . ?
C24P H24A 0.9800 . ?
C24P H24B 0.9800 . ?
C24P H24C 0.9800 . ?
C25P C26P 1.533(3) . ?
C25P H25A 0.9900 . ?
C25P H25B 0.9900 . ?
C26P H26A 0.9800 . ?
C26P H26B 0.9800 . ?
C26P H26C 0.9800 . ?
C27P C28P 1.515(3) . ?
C27P H27A 0.9900 . ?
C27P H27B 0.9900 . ?
C28P H28A 0.9800 . ?
C28P H28B 0.9800 . ?
C28P H28C 0.9800 . ?
C29P C30P 1.501(3) . ?
C29P H29A 0.9900 . ?
C29P H29B 0.9900 . ?
C30P H30A 0.9800 . ?
C30P H30B 0.9800 . ?
C30P H30C 0.9800 . ?
C31P C32P 1.534(3) . ?
C31P H31A 0.9900 . ?
C31P H31B 0.9900 . ?
C32P H32A 0.9800 . ?
C32P H32B 0.9800 . ?
C32P H32C 0.9800 . ?
C33P C34P 1.527(4) . ?
C33P H33A 0.9900 . ?
C33P H33B 0.9900 . ?
C34P H34A 0.9800 . ?
C34P H34B 0.9800 . ?
C34P H34C 0.9800 . ?
C35P C36P 1.535(3) . ?
C35P H35A 0.9900 . ?
C35P H35B 0.9900 . ?
C36P H36A 0.9800 . ?
C36P H36B 0.9800 . ?
C36P H36C 0.9800 . ?
Ni1Q N3Q 1.9559(14) . ?
Ni1Q N1Q 1.9575(14) . ?
Ni1Q N4Q 1.9598(15) . ?
Ni1Q N2Q 1.9618(15) . ?
N1Q C1Q 1.381(2) . ?
N1Q C4Q 1.3838(18) . ?
N2Q C6Q 1.3721(19) . ?
N2Q C9Q 1.389(2) . ?
N3Q C14Q 1.3731(19) . ?
N3Q C11Q 1.390(2) . ?
N4Q C19Q 1.375(2) . ?
N4Q C16Q 1.3791(18) . ?
C1Q C20Q 1.373(2) . ?
C1Q C2Q 1.435(2) . ?
C2Q C3Q 1.358(2) . ?
C2Q C21Q 1.503(2) . ?
C3Q C4Q 1.446(2) . ?
C3Q C23Q 1.495(2) . ?
C4Q C5Q 1.368(2) . ?
C5Q C6Q 1.372(2) . ?
C5Q H5Q 0.9500 . ?
C6Q C7Q 1.448(2) . ?
C7Q C8Q 1.347(2) . ?
C7Q C25Q 1.496(2) . ?
C8Q C9Q 1.440(2) . ?
C8Q C27Q 1.502(3) . ?
C9Q C10Q 1.373(2) . ?
C10Q C11Q 1.369(2) . ?
C10Q H10Q 0.9500 . ?
C11Q C12Q 1.442(2) . ?
C12Q C13Q 1.345(2) . ?
C12Q C29Q 1.510(2) . ?
C13Q C14Q 1.446(2) . ?
C13Q C31Q 1.518(2) . ?
C14Q C15Q 1.372(2) . ?
C15Q C16Q 1.373(2) . ?
C15Q H15Q 0.9500 . ?
C16Q C17Q 1.451(2) . ?
C17Q C18Q 1.350(2) . ?
C17Q C33Q 1.500(2) . ?
C18Q C19Q 1.448(2) . ?
C18Q C35Q 1.500(3) . ?
C19Q C20Q 1.376(2) . ?
C20Q H20Q 0.9500 . ?
C21Q C22Q 1.531(3) . ?
C21Q H21C 0.9900 . ?
C21Q H21D 0.9900 . ?
C22Q H22D 0.9800 . ?
C22Q H22E 0.9800 . ?
C22Q H22F 0.9800 . ?
C23Q C24Q 1.525(4) . ?
C23Q H23C 0.9900 . ?
C23Q H23D 0.9900 . ?
C24Q H24D 0.9800 . ?
C24Q H24E 0.9800 . ?
C24Q H24F 0.9800 . ?
C25Q C26Q 1.533(3) . ?
C25Q H25C 0.9900 . ?
C25Q H25D 0.9900 . ?
C26Q H26D 0.9800 . ?
C26Q H26E 0.9800 . ?
C26Q H26F 0.9800 . ?
C27Q C28Q 1.515(3) . ?
C27Q H27C 0.9900 . ?
C27Q H27D 0.9900 . ?
C28Q H28D 0.9800 . ?
C28Q H28E 0.9800 . ?
C28Q H28F 0.9800 . ?
C29Q C30Q 1.501(3) . ?
C29Q H29C 0.9900 . ?
C29Q H29D 0.9900 . ?
C30Q H30D 0.9800 . ?
C30Q H30E 0.9800 . ?
C30Q H30F 0.9800 . ?
C31Q C32Q 1.534(3) . ?
C31Q H31C 0.9900 . ?
C31Q H31D 0.9900 . ?
C32Q H32D 0.9800 . ?
C32Q H32E 0.9800 . ?
C32Q H32F 0.9800 . ?
C33Q C34Q 1.527(4) . ?
C33Q H33C 0.9900 . ?
C33Q H33D 0.9900 . ?
C34Q H34D 0.9800 . ?
C34Q H34E 0.9800 . ?
C34Q H34F 0.9800 . ?
C35Q C36Q 1.535(3) . ?
C35Q H35C 0.9900 . ?
C35Q H35D 0.9900 . ?
C36Q H36D 0.9800 . ?
C36Q H36E 0.9800 . ?
C36Q H36F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1A Sc1A C8A 135.1(2) . . ?
N1A Sc1A C6A 132.2(4) . . ?
C8A Sc1A C6A 58.50(5) . . ?
N1A Sc1A C1A 164.6(2) . . ?
C8A Sc1A C1A 35.08(4) . . ?
C6A Sc1A C1A 58.25(5) . . ?
N1A Sc1A C5A 160.4(3) . . ?
C8A Sc1A C5A 58.23(5) . . ?
C6A Sc1A C5A 35.03(4) . . ?
C1A Sc1A C5A 34.80(4) . . ?
N1A Sc1A C2A 138.2(4) . . ?
C8A Sc1A C2A 62.07(5) . . ?
C6A Sc1A C2A 89.60(6) . . ?
C1A Sc1A C2A 34.62(4) . . ?
C5A Sc1A C2A 57.31(5) . . ?
N1A Sc1A C4A 135.4(2) . . ?
C8A Sc1A C4A 89.49(6) . . ?
C6A Sc1A C4A 61.78(5) . . ?
C1A Sc1A C4A 57.22(4) . . ?
C5A Sc1A C4A 34.44(4) . . ?
C2A Sc1A C4A 56.51(4) . . ?
N1A Sc1A C7A 123.0(3) . . ?
C8A Sc1A C7A 34.57(4) . . ?
C6A Sc1A C7A 34.57(4) . . ?
C1A Sc1A C7A 57.24(5) . . ?
C5A Sc1A C7A 57.20(5) . . ?
C2A Sc1A C7A 91.16(6) . . ?
C4A Sc1A C7A 90.90(6) . . ?
N1A Sc1A C3A 126.1(3) . . ?
C8A Sc1A C3A 91.43(6) . . ?
C6A Sc1A C3A 91.22(6) . . ?
C1A Sc1A C3A 57.23(5) . . ?
C5A Sc1A C3A 57.13(5) . . ?
C2A Sc1A C3A 33.99(4) . . ?
C4A Sc1A C3A 33.91(4) . . ?
C7A Sc1A C3A 110.82(6) . . ?
N1A Sc1A C9A 107.2(2) . . ?
C8A Sc1A C9A 32.80(3) . . ?
C6A Sc1A C9A 89.44(6) . . ?
C1A Sc1A C9A 58.84(4) . . ?
C5A Sc1A C9A 89.47(6) . . ?
C2A Sc1A C9A 68.47(5) . . ?
C4A Sc1A C9A 115.82(6) . . ?
C7A Sc1A C9A 58.28(5) . . ?
C3A Sc1A C9A 102.43(6) . . ?
N1A Sc1A C56A 103.8(3) . . ?
C8A Sc1A C56A 89.08(6) . . ?
C6A Sc1A C56A 32.38(4) . . ?
C1A Sc1A C56A 89.05(6) . . ?
C5A Sc1A C56A 58.40(5) . . ?
C2A Sc1A C56A 115.45(6) . . ?
C4A Sc1A C56A 67.96(5) . . ?
C7A Sc1A C56A 57.99(5) . . ?
C3A Sc1A C56A 101.84(6) . . ?
C9A Sc1A C56A 116.20(7) . . ?
N1A Sc1A C57A 111.0(3) . . ?
C8A Sc1A C57A 67.04(5) . . ?
C6A Sc1A C57A 114.82(6) . . ?
C1A Sc1A C57A 56.66(4) . . ?
C5A Sc1A C57A 86.93(5) . . ?
C2A Sc1A C57A 31.16(4) . . ?
C4A Sc1A C57A 86.01(6) . . ?
C7A Sc1A C57A 101.60(6) . . ?
C3A Sc1A C57A 56.17(5) . . ?
C9A Sc1A C57A 54.22(4) . . ?
C56A Sc1A C57A 145.10(6) . . ?
N1A Sc2A C33A 163.7(4) . . ?
N1A Sc2A C37A 159.3(4) . . ?
C33A Sc2A C37A 36.87(4) . . ?
N1A Sc2A C32A 135.5(3) . . ?
C33A Sc2A C32A 36.90(4) . . ?
C37A Sc2A C32A 61.04(5) . . ?
N1A Sc2A C34A 132.8(4) . . ?
C33A Sc2A C34A 36.73(4) . . ?
C37A Sc2A C34A 60.84(5) . . ?
C32A Sc2A C34A 65.49(5) . . ?
N1A Sc2A C38A 132.8(4) . . ?
C33A Sc2A C38A 60.82(5) . . ?
C37A Sc2A C38A 36.33(4) . . ?
C32A Sc2A C38A 60.13(5) . . ?
C34A Sc2A C38A 94.25(6) . . ?
N1A Sc2A C36A 130.2(3) . . ?
C33A Sc2A C36A 60.66(5) . . ?
C37A Sc2A C36A 36.23(4) . . ?
C32A Sc2A C36A 94.31(5) . . ?
C34A Sc2A C36A 59.84(5) . . ?
C38A Sc2A C36A 64.20(4) . . ?
N1A Sc2A C62A 124.2(3) . . ?
C33A Sc2A C62A 59.70(5) . . ?
C37A Sc2A C62A 59.35(5) . . ?
C32A Sc2A C62A 35.40(4) . . ?
C34A Sc2A C62A 95.61(6) . . ?
C38A Sc2A C62A 35.14(4) . . ?
C36A Sc2A C62A 94.56(5) . . ?
N1A Sc2A C35A 120.6(3) . . ?
C33A Sc2A C35A 59.49(4) . . ?
C37A Sc2A C35A 59.17(4) . . ?
C32A Sc2A C35A 95.54(5) . . ?
C34A Sc2A C35A 35.23(4) . . ?
C38A Sc2A C35A 94.46(5) . . ?
C36A Sc2A C35A 34.99(4) . . ?
C62A Sc2A C35A 115.15(6) . . ?
N1A Sc2A C31A 106.1(3) . . ?
C33A Sc2A C31A 60.88(5) . . ?
C37A Sc2A C31A 92.91(5) . . ?
C32A Sc2A C31A 33.24(4) . . ?
C34A Sc2A C31A 71.22(5) . . ?
C38A Sc2A C31A 91.07(5) . . ?
C36A Sc2A C31A 121.37(6) . . ?
C62A Sc2A C31A 58.90(4) . . ?
C35A Sc2A C31A 106.43(5) . . ?
N1A Sc2A C29A 104.4(4) . . ?
C33A Sc2A C29A 60.76(5) . . ?
C37A Sc2A C29A 92.77(5) . . ?
C32A Sc2A C29A 71.14(5) . . ?
C34A Sc2A C29A 33.28(4) . . ?
C38A Sc2A C29A 121.42(6) . . ?
C36A Sc2A C29A 90.81(5) . . ?
C62A Sc2A C29A 106.54(5) . . ?
C35A Sc2A C29A 58.75(4) . . ?
C31A Sc2A C29A 56.68(4) . . ?
N1A Sc2A C39A 103.4(4) . . ?
C33A Sc2A C39A 91.90(6) . . ?
C37A Sc2A C39A 59.62(5) . . ?
C32A Sc2A C39A 90.41(6) . . ?
C34A Sc2A C39A 120.19(6) . . ?
C38A Sc2A C39A 32.54(4) . . ?
C36A Sc2A C39A 69.38(4) . . ?
C62A Sc2A C39A 58.03(4) . . ?
C35A Sc2A C39A 104.34(5) . . ?
C31A Sc2A C39A 116.64(6) . . ?
C29A Sc2A C39A 152.15(6) . . ?
N1A Sc3A C21A 137.3(3) . . ?
N1A Sc3A C22A 164.0(2) . . ?
C21A Sc3A C22A 36.09(4) . . ?
N1A Sc3A C19A 135.1(3) . . ?
C21A Sc3A C19A 60.20(5) . . ?
C22A Sc3A C19A 59.26(5) . . ?
N1A Sc3A C20A 126.3(4) . . ?
C21A Sc3A C20A 35.94(4) . . ?
C22A Sc3A C20A 58.96(5) . . ?
C19A Sc3A C20A 35.47(4) . . ?
N1A Sc3A C23A 160.2(3) . . ?
C21A Sc3A C23A 59.56(5) . . ?
C22A Sc3A C23A 35.21(4) . . ?
C19A Sc3A C23A 35.29(4) . . ?
C20A Sc3A C23A 58.42(5) . . ?
N1A Sc3A C26A 134.0(3) . . ?
C21A Sc3A C26A 63.45(5) . . ?
C22A Sc3A C26A 34.97(4) . . ?
C19A Sc3A C26A 90.44(5) . . ?
C20A Sc3A C26A 93.36(6) . . ?
C23A Sc3A C26A 57.48(5) . . ?
N1A Sc3A C24A 132.3(4) . . ?
C21A Sc3A C24A 90.35(5) . . ?
C22A Sc3A C24A 57.04(5) . . ?
C19A Sc3A C24A 61.48(5) . . ?
C20A Sc3A C24A 91.68(5) . . ?
C23A Sc3A C24A 34.07(4) . . ?
C26A Sc3A C24A 55.80(5) . . ?
N1A Sc3A C25A 121.7(4) . . ?
C21A Sc3A C25A 92.27(6) . . ?
C22A Sc3A C25A 57.03(5) . . ?
C19A Sc3A C25A 90.65(5) . . ?
C20A Sc3A C25A 111.86(6) . . ?
C23A Sc3A C25A 56.53(5) . . ?
C26A Sc3A C25A 33.55(4) . . ?
C24A Sc3A C25A 33.12(4) . . ?
N1A Sc3A C53A 106.9(3) . . ?
C21A Sc3A C53A 34.27(5) . . ?
C22A Sc3A C53A 60.88(5) . . ?
C19A Sc3A C53A 92.65(6) . . ?
C20A Sc3A C53A 60.81(5) . . ?
C23A Sc3A C53A 92.11(6) . . ?
C26A Sc3A C53A 70.21(5) . . ?
C24A Sc3A C53A 117.55(6) . . ?
C25A Sc3A C53A 103.71(6) . . ?
N1A Sc3A C18A 105.3(2) . . ?
C21A Sc3A C18A 91.25(5) . . ?
C22A Sc3A C18A 90.29(5) . . ?
C19A Sc3A C18A 32.83(4) . . ?
C20A Sc3A C18A 59.02(4) . . ?
C23A Sc3A C18A 58.83(5) . . ?
C26A Sc3A C18A 115.77(6) . . ?
C24A Sc3A C18A 67.53(5) . . ?
C25A Sc3A C18A 100.54(6) . . ?
C53A Sc3A C18A 119.74(6) . . ?
N1A Sc3A C27A 107.6(2) . . ?
C21A Sc3A C27A 68.65(5) . . ?
C22A Sc3A C27A 57.44(5) . . ?
C19A Sc3A C27A 116.69(6) . . ?
C20A Sc3A C27A 104.55(6) . . ?
C23A Sc3A C27A 87.59(5) . . ?
C26A Sc3A C27A 31.41(4) . . ?
C24A Sc3A C27A 85.32(5) . . ?
C25A Sc3A C27A 55.84(4) . . ?
C53A Sc3A C27A 55.46(5) . . ?
C18A Sc3A C27A 146.40(5) . . ?
Sc2A N1A Sc1A 104.7(6) . . ?
Sc2A N1A Sc3A 105.2(6) . . ?
Sc1A N1A Sc3A 150.1(7) . . ?
C5A C1A C8A 108.12(9) . . ?
C5A C1A C2A 107.91(8) . . ?
C8A C1A C2A 119.63(9) . . ?
C5A C1A Sc1A 72.79(7) . . ?
C8A C1A Sc1A 71.93(7) . . ?
C2A C1A Sc1A 74.70(8) . . ?
C3A C2A C1A 108.21(8) . . ?
C3A C2A C57A 119.86(8) . . ?
C1A C2A C57A 118.98(8) . . ?
C3A C2A Sc1A 74.07(7) . . ?
C1A C2A Sc1A 70.68(8) . . ?
C57A C2A Sc1A 87.99(7) . . ?
C2A C3A C4A 107.61(8) . . ?
C2A C3A C40A 120.10(8) . . ?
C4A C3A C40A 119.99(8) . . ?
C2A C3A Sc1A 71.94(8) . . ?
C4A C3A Sc1A 72.43(8) . . ?
C40A C3A Sc1A 89.18(9) . . ?
C5A C4A C3A 108.21(8) . . ?
C5A C4A C43A 118.84(9) . . ?
C3A C4A C43A 119.85(8) . . ?
C5A C4A Sc1A 70.50(7) . . ?
C3A C4A Sc1A 73.65(8) . . ?
C43A C4A Sc1A 88.34(8) . . ?
C1A C5A C6A 108.04(9) . . ?
C1A C5A C4A 108.05(8) . . ?
C6A C5A C4A 119.49(9) . . ?
C1A C5A Sc1A 72.41(7) . . ?
C6A C5A Sc1A 71.81(7) . . ?
C4A C5A Sc1A 75.06(7) . . ?
C5A C6A C7A 107.81(8) . . ?
C5A C6A C56A 119.84(9) . . ?
C7A C6A C56A 120.44(9) . . ?
C5A C6A Sc1A 73.16(7) . . ?
C7A C6A Sc1A 75.69(7) . . ?
C56A C6A Sc1A 85.57(7) . . ?
C8A C7A C6A 107.76(8) . . ?
C8A C7A C12A 120.05(9) . . ?
C6A C7A C12A 119.93(8) . . ?
C8A C7A Sc1A 69.70(7) . . ?
C6A C7A Sc1A 69.74(7) . . ?
C12A C7A Sc1A 94.00(8) . . ?
C1A C8A C7A 107.77(8) . . ?
C1A C8A C9A 119.72(8) . . ?
C7A C8A C9A 120.06(9) . . ?
C1A C8A Sc1A 72.99(7) . . ?
C7A C8A Sc1A 75.73(7) . . ?
C9A C8A Sc1A 84.95(7) . . ?
C8A C9A C58A 118.74(8) . . ?
C8A C9A C10A 117.80(9) . . ?
C58A C9A C10A 118.82(8) . . ?
C8A C9A Sc1A 62.26(6) . . ?
C58A C9A Sc1A 85.37(8) . . ?
C10A C9A Sc1A 101.49(9) . . ?
C70A C10A C11A 108.01(9) . . ?
C70A C10A C9A 120.28(10) . . ?
C11A C10A C9A 120.43(11) . . ?
C10A C11A C16A 108.00(10) . . ?
C10A C11A C12A 119.81(11) . . ?
C16A C11A C12A 120.49(9) . . ?
C7A C12A C11A 118.48(9) . . ?
C7A C12A C13A 118.36(9) . . ?
C11A C12A C13A 119.05(8) . . ?
C55A C13A C14A 107.98(11) . . ?
C55A C13A C12A 119.80(11) . . ?
C14A C13A C12A 120.46(10) . . ?
C52A C14A C13A 107.55(11) . . ?
C52A C14A C15A 119.89(11) . . ?
C13A C14A C15A 120.38(10) . . ?
C16A C15A C20A 118.57(9) . . ?
C16A C15A C14A 119.02(9) . . ?
C20A C15A C14A 118.36(9) . . ?
C16A C15A Sc3A 98.02(10) . . ?
C20A C15A Sc3A 56.54(7) . . ?
C14A C15A Sc3A 95.49(9) . . ?
C11A C16A C17A 107.77(10) . . ?
C11A C16A C15A 120.43(10) . . ?
C17A C16A C15A 119.96(11) . . ?
C70A C17A C16A 107.88(10) . . ?
C70A C17A C18A 120.25(10) . . ?
C16A C17A C18A 120.14(11) . . ?
C67A C18A C19A 119.06(8) . . ?
C67A C18A C17A 118.88(9) . . ?
C19A C18A C17A 118.26(9) . . ?
C67A C18A Sc3A 88.42(8) . . ?
C19A C18A Sc3A 61.49(8) . . ?
C17A C18A Sc3A 101.14(10) . . ?
C23A C19A C20A 107.73(8) . . ?
C23A C19A C18A 119.56(9) . . ?
C20A C19A C18A 119.49(11) . . ?
C23A C19A Sc3A 73.75(8) . . ?
C20A C19A Sc3A 73.02(9) . . ?
C18A C19A Sc3A 85.69(9) . . ?
C21A C20A C19A 107.72(8) . . ?
C21A C20A C15A 119.68(10) . . ?
C19A C20A C15A 119.75(10) . . ?
C21A C20A Sc3A 68.51(9) . . ?
C19A C20A Sc3A 71.51(9) . . ?
C15A C20A Sc3A 92.63(10) . . ?
C22A C21A C20A 107.90(8) . . ?
C22A C21A C53A 119.46(10) . . ?
C20A C21A C53A 119.93(10) . . ?
C22A C21A Sc3A 74.45(8) . . ?
C20A C21A Sc3A 75.55(9) . . ?
C53A C21A Sc3A 83.42(9) . . ?
C23A C22A C21A 108.11(8) . . ?
C23A C22A C26A 107.78(9) . . ?
C21A C22A C26A 119.55(11) . . ?
C23A C22A Sc3A 74.06(8) . . ?
C21A C22A Sc3A 69.46(9) . . ?
C26A C22A Sc3A 75.90(8) . . ?
C22A C23A C19A 108.04(8) . . ?
C22A C23A C24A 107.85(9) . . ?
C19A C23A C24A 119.70(10) . . ?
C22A C23A Sc3A 70.72(8) . . ?
C19A C23A Sc3A 70.96(8) . . ?
C24A C23A Sc3A 77.45(8) . . ?
C25A C24A C23A 108.35(8) . . ?
C25A C24A C66A 119.46(10) . . ?
C23A C24A C66A 118.77(8) . . ?
C25A C24A Sc3A 74.07(7) . . ?
C23A C24A Sc3A 68.47(7) . . ?
C66A C24A Sc3A 89.51(8) . . ?
C26A C25A C24A 107.58(8) . . ?
C26A C25A C30A 120.65(9) . . ?
C24A C25A C30A 120.93(9) . . ?
C26A C25A Sc3A 69.82(7) . . ?
C24A C25A Sc3A 72.82(6) . . ?
C30A C25A Sc3A 92.88(7) . . ?
C25A C26A C22A 108.42(8) . . ?
C25A C26A C27A 119.56(10) . . ?
C22A C26A C27A 118.97(9) . . ?
C25A C26A Sc3A 76.63(7) . . ?
C22A C26A Sc3A 69.13(7) . . ?
C27A C26A Sc3A 86.95(8) . . ?
C54A C27A C28A 108.25(9) . . ?
C54A C27A C26A 120.21(10) . . ?
C28A C27A C26A 120.28(10) . . ?
C54A C27A Sc3A 79.10(10) . . ?
C28A C27A Sc3A 98.97(9) . . ?
C26A C27A Sc3A 61.64(7) . . ?
C27A C28A C48A 107.53(9) . . ?
C27A C28A C29A 120.58(10) . . ?
C48A C28A C29A 120.47(9) . . ?
C28A C29A C30A 118.85(9) . . ?
C28A C29A C34A 116.87(8) . . ?
C30A C29A C34A 119.53(8) . . ?
C28A C29A Sc2A 105.63(8) . . ?
C30A C29A Sc2A 83.71(7) . . ?
C34A C29A Sc2A 60.21(7) . . ?
C25A C30A C29A 118.43(8) . . ?
C25A C30A C31A 118.39(8) . . ?
C29A C30A C31A 119.13(7) . . ?
C65A C31A C32A 116.93(8) . . ?
C65A C31A C30A 118.98(10) . . ?
C32A C31A C30A 119.62(8) . . ?
C65A C31A Sc2A 105.84(8) . . ?
C32A C31A Sc2A 60.21(7) . . ?
C30A C31A Sc2A 84.11(7) . . ?
C62A C32A C33A 107.49(7) . . ?
C62A C32A C31A 119.30(10) . . ?
C33A C32A C31A 119.74(8) . . ?
C62A C32A Sc2A 76.03(8) . . ?
C33A C32A Sc2A 69.49(7) . . ?
C31A C32A Sc2A 86.55(9) . . ?
C37A C33A C34A 108.08(8) . . ?
C37A C33A C32A 108.02(8) . . ?
C34A C33A C32A 120.24(10) . . ?
C37A C33A Sc2A 72.35(8) . . ?
C34A C33A Sc2A 74.14(8) . . ?
C32A C33A Sc2A 73.61(8) . . ?
C35A C34A C33A 107.46(8) . . ?
C35A C34A C29A 119.17(10) . . ?
C33A C34A C29A 119.59(9) . . ?
C35A C34A Sc2A 76.01(8) . . ?
C33A C34A Sc2A 69.13(8) . . ?
C29A C34A Sc2A 86.51(9) . . ?
C36A C35A C34A 108.53(8) . . ?
C36A C35A C47A 119.88(9) . . ?
C34A C35A C47A 120.19(9) . . ?
C36A C35A Sc2A 69.98(7) . . ?
C34A C35A Sc2A 68.76(8) . . ?
C47A C35A Sc2A 96.08(9) . . ?
C35A C36A C37A 107.60(8) . . ?
C35A C36A C41A 119.35(10) . . ?
C37A C36A C41A 119.62(8) . . ?
C35A C36A Sc2A 75.03(8) . . ?
C37A C36A Sc2A 69.05(8) . . ?
C41A C36A Sc2A 87.94(8) . . ?
C33A C37A C38A 108.11(9) . . ?
C33A C37A C36A 108.19(8) . . ?
C38A C37A C36A 119.76(10) . . ?
C33A C37A Sc2A 70.78(8) . . ?
C38A C37A Sc2A 74.09(8) . . ?
C36A C37A Sc2A 74.71(8) . . ?
C62A C38A C37A 107.87(8) . . ?
C62A C38A C39A 119.29(10) . . ?
C37A C38A C39A 119.75(8) . . ?
C62A C38A Sc2A 75.21(7) . . ?
C37A C38A Sc2A 69.58(7) . . ?
C39A C38A Sc2A 87.79(8) . . ?
C40A C39A C61A 119.14(8) . . ?
C40A C39A C38A 119.59(8) . . ?
C61A C39A C38A 117.08(8) . . ?
C40A C39A Sc2A 84.29(8) . . ?
C61A C39A Sc2A 106.86(9) . . ?
C38A C39A Sc2A 59.67(7) . . ?
C39A C40A C3A 118.77(8) . . ?
C39A C40A C41A 119.92(8) . . ?
C3A C40A C41A 118.83(8) . . ?
C39A C40A Sc1A 96.61(8) . . ?
C3A C40A Sc1A 60.04(7) . . ?
C41A C40A Sc1A 97.49(8) . . ?
C40A C41A C42A 118.87(9) . . ?
C40A C41A C36A 119.47(8) . . ?
C42A C41A C36A 116.96(8) . . ?
C40A C41A Sc2A 83.58(8) . . ?
C42A C41A Sc2A 106.51(9) . . ?
C36A C41A Sc2A 59.67(6) . . ?
C43A C42A C46A 107.70(9) . . ?
C43A C42A C41A 120.17(9) . . ?
C46A C42A C41A 120.08(10) . . ?
C44A C43A C42A 108.33(9) . . ?
C44A C43A C4A 120.25(8) . . ?
C42A C43A C4A 120.09(8) . . ?
C44A C43A Sc1A 81.58(7) . . ?
C42A C43A Sc1A 97.18(9) . . ?
C4A C43A Sc1A 60.70(6) . . ?
C43A C44A C45A 107.82(8) . . ?
C43A C44A C56A 119.76(8) . . ?
C45A C44A C56A 121.06(10) . . ?
C44A C45A C46A 107.89(9) . . ?
C44A C45A C50A 120.05(11) . . ?
C46A C45A C50A 120.01(10) . . ?
C42A C46A C45A 107.76(9) . . ?
C42A C46A C47A 119.84(10) . . ?
C45A C46A C47A 120.16(10) . . ?
C35A C47A C46A 119.08(8) . . ?
C35A C47A C48A 118.97(8) . . ?
C46A C47A C48A 118.61(9) . . ?
C28A C48A C49A 107.90(10) . . ?
C28A C48A C47A 120.09(10) . . ?
C49A C48A C47A 120.14(9) . . ?
C54A C49A C48A 108.00(10) . . ?
C54A C49A C50A 120.46(11) . . ?
C48A C49A C50A 120.41(10) . . ?
C49A C50A C45A 118.56(10) . . ?
C49A C50A C51A 118.64(10) . . ?
C45A C50A C51A 118.66(10) . . ?
C52A C51A C55A 108.20(11) . . ?
C52A C51A C50A 120.59(11) . . ?
C55A C51A C50A 120.64(12) . . ?
C51A C52A C14A 108.12(11) . . ?
C51A C52A C53A 120.43(11) . . ?
C14A C52A C53A 120.53(11) . . ?
C54A C53A C21A 118.95(9) . . ?
C54A C53A C52A 118.41(10) . . ?
C21A C53A C52A 118.04(9) . . ?
C54A C53A Sc3A 86.25(9) . . ?
C21A C53A Sc3A 62.31(7) . . ?
C52A C53A Sc3A 100.69(10) . . ?
C27A C54A C49A 107.82(10) . . ?
C27A C54A C53A 120.33(11) . . ?
C49A C54A C53A 120.92(10) . . ?
C27A C54A Sc3A 71.82(9) . . ?
C49A C54A Sc3A 106.54(12) . . ?
C53A C54A Sc3A 63.36(8) . . ?
C51A C55A C13A 107.92(10) . . ?
C51A C55A C56A 120.40(12) . . ?
C13A C55A C56A 120.30(11) . . ?
C6A C56A C44A 119.18(8) . . ?
C6A C56A C55A 117.83(9) . . ?
C44A C56A C55A 118.48(9) . . ?
C6A C56A Sc1A 62.04(7) . . ?
C44A C56A Sc1A 86.05(7) . . ?
C55A C56A Sc1A 101.47(9) . . ?
C58A C57A C61A 108.29(9) . . ?
C58A C57A C2A 120.21(9) . . ?
C61A C57A C2A 120.01(8) . . ?
C58A C57A Sc1A 81.33(8) . . ?
C61A C57A Sc1A 96.98(9) . . ?
C2A C57A Sc1A 60.85(6) . . ?
C57A C58A C59A 107.71(9) . . ?
C57A C58A C9A 120.15(9) . . ?
C59A C58A C9A 120.61(10) . . ?
C58A C59A C60A 108.10(9) . . ?
C58A C59A C69A 120.31(10) . . ?
C60A C59A C69A 120.36(10) . . ?
C61A C60A C59A 107.81(9) . . ?
C61A C60A C63A 119.95(10) . . ?
C59A C60A C63A 120.08(10) . . ?
C60A C61A C57A 107.59(9) . . ?
C60A C61A C39A 119.97(10) . . ?
C57A C61A C39A 120.13(9) . . ?
C38A C62A C32A 108.30(8) . . ?
C38A C62A C63A 119.87(9) . . ?
C32A C62A C63A 120.08(9) . . ?
C38A C62A Sc2A 69.66(7) . . ?
C32A C62A Sc2A 68.57(7) . . ?
C63A C62A Sc2A 96.06(10) . . ?
C62A C63A C64A 119.02(9) . . ?
C62A C63A C60A 118.92(9) . . ?
C64A C63A C60A 118.54(9) . . ?
C65A C64A C68A 108.02(10) . . ?
C65A C64A C63A 120.11(10) . . ?
C68A C64A C63A 120.41(9) . . ?
C66A C65A C64A 107.63(9) . . ?
C66A C65A C31A 120.70(9) . . ?
C64A C65A C31A 120.22(9) . . ?
C67A C66A C65A 108.13(8) . . ?
C67A C66A C24A 120.15(8) . . ?
C65A C66A C24A 120.02(9) . . ?
C67A C66A Sc3A 80.62(7) . . ?
C65A C66A Sc3A 98.25(8) . . ?
C24A C66A Sc3A 60.26(6) . . ?
C66A C67A C68A 107.78(9) . . ?
C66A C67A C18A 120.15(8) . . ?
C68A C67A C18A 120.48(9) . . ?
C64A C68A C67A 107.90(9) . . ?
C64A C68A C69A 120.02(10) . . ?
C67A C68A C69A 120.22(10) . . ?
C59A C69A C68A 118.44(9) . . ?
C59A C69A C70A 118.99(9) . . ?
C68A C69A C70A 118.94(9) . . ?
C10A C70A C17A 108.11(10) . . ?
C10A C70A C69A 120.21(11) . . ?
C17A C70A C69A 120.35(10) . . ?
N1B Sc1B C6B 139.0(5) . . ?
N1B Sc1B C5B 169.0(4) . . ?
C6B Sc1B C5B 35.48(5) . . ?
N1B Sc1B C8B 130.6(6) . . ?
C6B Sc1B C8B 58.88(8) . . ?
C5B Sc1B C8B 58.23(7) . . ?
N1B Sc1B C1B 156.2(4) . . ?
C6B Sc1B C1B 58.54(7) . . ?
C5B Sc1B C1B 34.74(5) . . ?
C8B Sc1B C1B 34.79(5) . . ?
N1B Sc1B C7B 124.4(6) . . ?
C6B Sc1B C7B 35.07(6) . . ?
C5B Sc1B C7B 57.73(7) . . ?
C8B Sc1B C7B 34.68(5) . . ?
C1B Sc1B C7B 57.30(7) . . ?
N1B Sc1B C4B 139.4(6) . . ?
C6B Sc1B C4B 62.55(8) . . ?
C5B Sc1B C4B 34.61(5) . . ?
C8B Sc1B C4B 89.35(8) . . ?
C1B Sc1B C4B 57.08(6) . . ?
C7B Sc1B C4B 91.74(9) . . ?
N1B Sc1B C2B 131.2(4) . . ?
C6B Sc1B C2B 89.46(8) . . ?
C5B Sc1B C2B 56.83(6) . . ?
C8B Sc1B C2B 61.13(8) . . ?
C1B Sc1B C2B 34.07(5) . . ?
C7B Sc1B C2B 90.58(9) . . ?
C4B Sc1B C2B 56.01(7) . . ?
N1B Sc1B C3B 124.2(6) . . ?
C6B Sc1B C3B 91.56(9) . . ?
C5B Sc1B C3B 56.91(6) . . ?
C8B Sc1B C3B 90.33(9) . . ?
C1B Sc1B C3B 56.57(7) . . ?
C7B Sc1B C3B 110.67(9) . . ?
C4B Sc1B C3B 33.75(5) . . ?
C2B Sc1B C3B 33.44(5) . . ?
N1B Sc1B C56B 111.2(3) . . ?
C6B Sc1B C56B 33.25(6) . . ?
C5B Sc1B C56B 59.58(8) . . ?
C8B Sc1B C56B 90.35(11) . . ?
C1B Sc1B C56B 90.17(9) . . ?
C7B Sc1B C56B 59.23(8) . . ?
C4B Sc1B C56B 69.21(9) . . ?
C2B Sc1B C56B 116.16(10) . . ?
C3B Sc1B C56B 102.94(10) . . ?
N1B Sc1B C9B 101.2(5) . . ?
C6B Sc1B C9B 89.45(10) . . ?
C5B Sc1B C9B 88.86(9) . . ?
C8B Sc1B C9B 32.32(5) . . ?
C1B Sc1B C9B 58.03(8) . . ?
C7B Sc1B C9B 57.98(8) . . ?
C4B Sc1B C9B 114.74(10) . . ?
C2B Sc1B C9B 67.16(9) . . ?
C3B Sc1B C9B 100.55(12) . . ?
C56B Sc1B C9B 117.16(12) . . ?
N1B Sc1B C43B 113.5(5) . . ?
C6B Sc1B C43B 67.68(9) . . ?
C5B Sc1B C43B 56.94(7) . . ?
C8B Sc1B C43B 115.12(9) . . ?
C1B Sc1B C43B 86.99(8) . . ?
C7B Sc1B C43B 102.72(11) . . ?
C4B Sc1B C43B 31.37(5) . . ?
C2B Sc1B C43B 85.67(9) . . ?
C3B Sc1B C43B 56.15(7) . . ?
C56B Sc1B C43B 54.84(7) . . ?
C9B Sc1B C43B 144.92(9) . . ?
N1B Sc2B C33B 164.5(6) . . ?
N1B Sc2B C34B 141.1(4) . . ?
C33B Sc2B C34B 37.24(5) . . ?
N1B Sc2B C37B 155.6(6) . . ?
C33B Sc2B C37B 36.76(5) . . ?
C34B Sc2B C37B 61.38(7) . . ?
N1B Sc2B C36B 134.4(6) . . ?
C33B Sc2B C36B 61.02(7) . . ?
C34B Sc2B C36B 60.85(7) . . ?
C37B Sc2B C36B 36.30(5) . . ?
N1B Sc2B C32B 130.0(5) . . ?
C33B Sc2B C32B 36.66(5) . . ?
C34B Sc2B C32B 65.84(6) . . ?
C37B Sc2B C32B 60.39(6) . . ?
C36B Sc2B C32B 94.06(8) . . ?
N1B Sc2B C35B 129.1(4) . . ?
C33B Sc2B C35B 60.46(7) . . ?
C34B Sc2B C35B 36.11(5) . . ?
C37B Sc2B C35B 59.85(7) . . ?
C36B Sc2B C35B 35.63(5) . . ?
C32B Sc2B C35B 96.39(8) . . ?
N1B Sc2B C38B 124.9(4) . . ?
C33B Sc2B C38B 59.96(6) . . ?
C34B Sc2B C38B 94.02(8) . . ?
C37B Sc2B C38B 35.67(5) . . ?
C36B Sc2B C38B 63.59(6) . . ?
C32B Sc2B C38B 58.89(7) . . ?
C35B Sc2B C38B 94.48(8) . . ?
N1B Sc2B C62B 115.6(4) . . ?
C33B Sc2B C62B 58.73(6) . . ?
C34B Sc2B C62B 95.15(8) . . ?
C37B Sc2B C62B 58.16(6) . . ?
C36B Sc2B C62B 93.32(8) . . ?
C32B Sc2B C62B 34.61(5) . . ?
C35B Sc2B C62B 114.88(9) . . ?
C38B Sc2B C62B 34.20(5) . . ?
N1B Sc2B C29B 110.1(5) . . ?
C33B Sc2B C29B 61.83(7) . . ?
C34B Sc2B C29B 34.12(5) . . ?
C37B Sc2B C29B 94.00(8) . . ?
C36B Sc2B C29B 92.75(9) . . ?
C32B Sc2B C29B 71.85(7) . . ?
C35B Sc2B C29B 60.31(7) . . ?
C38B Sc2B C29B 121.55(8) . . ?
C62B Sc2B C29B 106.45(8) . . ?
N1B Sc2B C31B 103.8(6) . . ?
C33B Sc2B C31B 60.73(6) . . ?
C34B Sc2B C31B 71.75(7) . . ?
C37B Sc2B C31B 92.27(8) . . ?
C36B Sc2B C31B 121.69(9) . . ?
C32B Sc2B C31B 33.07(5) . . ?
C35B Sc2B C31B 107.86(9) . . ?
C38B Sc2B C31B 89.53(8) . . ?
C62B Sc2B C31B 58.03(6) . . ?
C29B Sc2B C31B 57.25(5) . . ?
N1B Sc2B C41B 103.7(6) . . ?
C33B Sc2B C41B 91.84(8) . . ?
C34B Sc2B C41B 91.23(9) . . ?
C37B Sc2B C41B 59.33(6) . . ?
C36B Sc2B C41B 32.47(4) . . ?
C32B Sc2B C41B 119.29(9) . . ?
C35B Sc2B C41B 58.46(6) . . ?
C38B Sc2B C41B 68.57(6) . . ?
C62B Sc2B C41B 102.73(8) . . ?
C29B Sc2B C41B 118.56(10) . . ?
C31B Sc2B C41B 151.56(9) . . ?
N1B Sc3B C19B 143.9(6) . . ?
N1B Sc3B C23B 170.6(4) . . ?
C19B Sc3B C23B 37.03(5) . . ?
N1B Sc3B C20B 127.7(5) . . ?
C19B Sc3B C20B 36.69(5) . . ?
C23B Sc3B C20B 59.52(7) . . ?
N1B Sc3B C18B 112.0(5) . . ?
C19B Sc3B C18B 36.89(7) . . ?
C23B Sc3B C18B 64.30(9) . . ?
C20B Sc3B C18B 63.78(9) . . ?
N1B Sc3B C24B 136.3(5) . . ?
C19B Sc3B C24B 65.44(8) . . ?
C23B Sc3B C24B 35.40(5) . . ?
C20B Sc3B C24B 94.68(8) . . ?
C18B Sc3B C24B 74.24(11) . . ?
N1B Sc3B C21B 131.2(4) . . ?
C19B Sc3B C21B 59.88(7) . . ?
C23B Sc3B C21B 58.16(7) . . ?
C20B Sc3B C21B 34.76(5) . . ?
C18B Sc3B C21B 94.89(9) . . ?
C24B Sc3B C21B 88.94(8) . . ?
N1B Sc3B C22B 152.4(4) . . ?
C19B Sc3B C22B 59.34(6) . . ?
C23B Sc3B C22B 34.54(5) . . ?
C20B Sc3B C22B 57.32(7) . . ?
C18B Sc3B C22B 94.60(9) . . ?
C24B Sc3B C22B 56.76(6) . . ?
C21B Sc3B C22B 33.85(5) . . ?
N1B Sc3B C25B 119.6(6) . . ?
C19B Sc3B C25B 92.87(8) . . ?
C23B Sc3B C25B 56.34(6) . . ?
C20B Sc3B C25B 110.14(10) . . ?
C18B Sc3B C25B 107.37(11) . . ?
C24B Sc3B C25B 33.13(5) . . ?
C21B Sc3B C25B 87.00(10) . . ?
C22B Sc3B C25B 54.72(7) . . ?
N1B Sc3B C26B 126.7(5) . . ?
C19B Sc3B C26B 89.06(8) . . ?
C23B Sc3B C26B 55.32(7) . . ?
C20B Sc3B C26B 88.68(10) . . ?
C18B Sc3B C26B 119.41(9) . . ?
C24B Sc3B C26B 54.38(7) . . ?
C21B Sc3B C26B 58.29(9) . . ?
C22B Sc3B C26B 32.48(5) . . ?
C25B Sc3B C26B 31.82(5) . . ?
N1B Sc3B C66B 110.9(4) . . ?
C19B Sc3B C66B 72.31(10) . . ?
C23B Sc3B C66B 59.67(8) . . ?
C20B Sc3B C66B 108.84(12) . . ?
C18B Sc3B C66B 59.07(10) . . ?
C24B Sc3B C66B 32.99(5) . . ?
C21B Sc3B C66B 117.80(9) . . ?
C22B Sc3B C66B 88.66(8) . . ?
C25B Sc3B C66B 56.87(6) . . ?
C26B Sc3B C66B 85.35(7) . . ?
N1B Sc3B C67B 102.6(4) . . ?
C19B Sc3B C67B 60.84(11) . . ?
C23B Sc3B C67B 69.47(10) . . ?
C20B Sc3B C67B 94.52(13) . . ?
C18B Sc3B C67B 32.64(7) . . ?
C24B Sc3B C67B 58.36(9) . . ?
C21B Sc3B C67B 119.97(11) . . ?
C22B Sc3B C67B 103.93(10) . . ?
C25B Sc3B C67B 87.22(9) . . ?
C26B Sc3B C67B 112.69(9) . . ?
C66B Sc3B C67B 30.87(5) . . ?
Sc2B N1B Sc1B 107.1(10) . . ?
Sc2B N1B Sc3B 104.8(9) . . ?
Sc1B N1B Sc3B 147.8(11) . . ?
C5B C1B C8B 108.12(8) . . ?
C5B C1B C2B 107.91(8) . . ?
C8B C1B C2B 119.63(9) . . ?
C5B C1B Sc1B 71.39(10) . . ?
C8B C1B Sc1B 71.84(10) . . ?
C2B C1B Sc1B 76.02(11) . . ?
C3B C2B C1B 108.21(8) . . ?
C3B C2B C57B 119.86(8) . . ?
C1B C2B C57B 118.98(9) . . ?
C3B C2B Sc1B 73.60(10) . . ?
C1B C2B Sc1B 69.91(10) . . ?
C57B C2B Sc1B 89.17(10) . . ?
C2B C3B C4B 107.61(8) . . ?
C2B C3B C40B 120.10(8) . . ?
C4B C3B C40B 119.99(8) . . ?
C2B C3B Sc1B 72.96(11) . . ?
C4B C3B Sc1B 71.01(11) . . ?
C40B C3B Sc1B 89.56(11) . . ?
C3B C4B C5B 108.21(8) . . ?
C3B C4B C43B 119.85(8) . . ?
C5B C4B C43B 118.84(9) . . ?
C3B C4B Sc1B 75.24(11) . . ?
C5B C4B Sc1B 70.20(10) . . ?
C43B C4B Sc1B 87.12(10) . . ?
C1B C5B C6B 108.04(9) . . ?
C1B C5B C4B 108.05(8) . . ?
C6B C5B C4B 119.49(9) . . ?
C1B C5B Sc1B 73.87(11) . . ?
C6B C5B Sc1B 70.44(11) . . ?
C4B C5B Sc1B 75.19(10) . . ?
C5B C6B C7B 107.81(8) . . ?
C5B C6B C56B 119.84(9) . . ?
C7B C6B C56B 120.44(9) . . ?
C5B C6B Sc1B 74.08(10) . . ?
C7B C6B Sc1B 76.20(10) . . ?
C56B C6B Sc1B 84.27(10) . . ?
C8B C7B C6B 107.76(8) . . ?
C8B C7B C12B 120.05(8) . . ?
C6B C7B C12B 119.93(9) . . ?
C8B C7B Sc1B 71.22(10) . . ?
C6B C7B Sc1B 68.73(10) . . ?
C12B C7B Sc1B 93.50(9) . . ?
C1B C8B C7B 107.77(8) . . ?
C1B C8B C9B 119.72(8) . . ?
C7B C8B C9B 120.06(9) . . ?
C1B C8B Sc1B 73.36(9) . . ?
C7B C8B Sc1B 74.10(11) . . ?
C9B C8B Sc1B 86.10(10) . . ?
C8B C9B C58B 118.74(8) . . ?
C8B C9B C10B 117.80(9) . . ?
C58B C9B C10B 118.82(8) . . ?
C8B C9B Sc1B 61.58(8) . . ?
C58B C9B Sc1B 86.63(11) . . ?
C10B C9B Sc1B 100.83(10) . . ?
C70B C10B C11B 108.01(9) . . ?
C70B C10B C9B 120.28(10) . . ?
C11B C10B C9B 120.43(11) . . ?
C10B C11B C16B 108.00(9) . . ?
C10B C11B C12B 119.81(11) . . ?
C16B C11B C12B 120.49(9) . . ?
C7B C12B C11B 118.48(9) . . ?
C7B C12B C13B 118.36(9) . . ?
C11B C12B C13B 119.05(8) . . ?
C7B C12B Sc1B 56.54(8) . . ?
C11B C12B Sc1B 97.60(11) . . ?
C13B C12B Sc1B 95.77(11) . . ?
C55B C13B C14B 107.98(11) . . ?
C55B C13B C12B 119.80(11) . . ?
C14B C13B C12B 120.46(9) . . ?
C52B C14B C13B 107.55(11) . . ?
C52B C14B C15B 119.89(11) . . ?
C13B C14B C15B 120.38(10) . . ?
C16B C15B C20B 118.57(9) . . ?
C16B C15B C14B 119.02(9) . . ?
C20B C15B C14B 118.36(9) . . ?
C16B C15B Sc3B 91.90(12) . . ?
C20B C15B Sc3B 57.15(8) . . ?
C14B C15B Sc3B 101.16(12) . . ?
C11B C16B C17B 107.77(10) . . ?
C11B C16B C15B 120.43(10) . . ?
C17B C16B C15B 119.96(11) . . ?
C70B C17B C16B 107.88(10) . . ?
C70B C17B C18B 120.25(10) . . ?
C16B C17B C18B 120.14(11) . . ?
C67B C18B C19B 119.06(8) . . ?
C67B C18B C17B 118.88(9) . . ?
C19B C18B C17B 118.26(9) . . ?
C67B C18B Sc3B 85.56(10) . . ?
C19B C18B Sc3B 64.72(10) . . ?
C17B C18B Sc3B 100.82(11) . . ?
C23B C19B C20B 107.73(8) . . ?
C23B C19B C18B 119.56(9) . . ?
C20B C19B C18B 119.49(11) . . ?
C23B C19B Sc3B 76.63(11) . . ?
C20B C19B Sc3B 78.17(12) . . ?
C18B C19B Sc3B 78.40(14) . . ?
C21B C20B C19B 107.72(8) . . ?
C21B C20B C15B 119.68(10) . . ?
C19B C20B C15B 119.75(10) . . ?
C21B C20B Sc3B 76.02(13) . . ?
C19B C20B Sc3B 65.14(12) . . ?
C15B C20B Sc3B 91.57(11) . . ?
C22B C21B C20B 107.90(8) . . ?
C22B C21B C53B 119.46(10) . . ?
C20B C21B C53B 119.93(10) . . ?
C22B C21B Sc3B 74.24(9) . . ?
C20B C21B Sc3B 69.22(12) . . ?
C53B C21B Sc3B 89.55(12) . . ?
C23B C22B C21B 108.11(8) . . ?
C23B C22B C26B 107.78(9) . . ?
C21B C22B C26B 119.55(11) . . ?
C23B C22B Sc3B 66.78(12) . . ?
C21B C22B Sc3B 71.92(10) . . ?
C26B C22B Sc3B 79.90(11) . . ?
C22B C23B C19B 108.04(8) . . ?
C22B C23B C24B 107.85(9) . . ?
C19B C23B C24B 119.70(10) . . ?
C22B C23B Sc3B 78.68(14) . . ?
C19B C23B Sc3B 66.33(12) . . ?
C24B C23B Sc3B 75.39(10) . . ?
C25B C24B C23B 108.35(8) . . ?
C25B C24B C66B 119.46(10) . . ?
C23B C24B C66B 118.77(8) . . ?
C25B C24B Sc3B 80.47(12) . . ?
C23B C24B Sc3B 69.21(9) . . ?
C66B C24B Sc3B 82.84(12) . . ?
C26B C25B C24B 107.58(8) . . ?
C26B C25B C30B 120.65(8) . . ?
C24B C25B C30B 120.93(9) . . ?
C26B C25B Sc3B 76.06(10) . . ?
C24B C25B Sc3B 66.40(10) . . ?
C30B C25B Sc3B 93.10(8) . . ?
C25B C26B C22B 108.42(8) . . ?
C25B C26B C27B 119.56(10) . . ?
C22B C26B C27B 118.97(9) . . ?
C25B C26B Sc3B 72.12(9) . . ?
C22B C26B Sc3B 67.63(8) . . ?
C27B C26B Sc3B 92.76(11) . . ?
C54B C27B C28B 108.25(9) . . ?
C54B C27B C26B 120.21(10) . . ?
C28B C27B C26B 120.28(10) . . ?
C27B C28B C48B 107.53(9) . . ?
C27B C28B C29B 120.58(10) . . ?
C48B C28B C29B 120.47(9) . . ?
C28B C29B C30B 118.85(10) . . ?
C28B C29B C34B 116.87(8) . . ?
C30B C29B C34B 119.53(8) . . ?
C28B C29B Sc2B 104.58(9) . . ?
C30B C29B Sc2B 84.65(8) . . ?
C34B C29B Sc2B 60.14(8) . . ?
C25B C30B C29B 118.43(8) . . ?
C25B C30B C31B 118.39(8) . . ?
C29B C30B C31B 119.13(7) . . ?
C25B C30B Sc2B 123.47(9) . . ?
C29B C30B Sc2B 64.84(8) . . ?
C31B C30B Sc2B 67.09(7) . . ?
C65B C31B C32B 116.93(8) . . ?
C65B C31B C30B 118.98(9) . . ?
C32B C31B C30B 119.62(7) . . ?
C65B C31B Sc2B 106.97(10) . . ?
C32B C31B Sc2B 60.99(7) . . ?
C30B C31B Sc2B 82.44(8) . . ?
C62B C32B C33B 107.49(8) . . ?
C62B C32B C31B 119.30(10) . . ?
C33B C32B C31B 119.74(8) . . ?
C62B C32B Sc2B 77.84(10) . . ?
C33B C32B Sc2B 68.37(9) . . ?
C31B C32B Sc2B 85.95(9) . . ?
C37B C33B C34B 108.08(8) . . ?
C37B C33B C32B 108.02(9) . . ?
C34B C33B C32B 120.24(10) . . ?
C37B C33B Sc2B 73.15(9) . . ?
C34B C33B Sc2B 72.09(11) . . ?
C32B C33B Sc2B 74.98(10) . . ?
C35B C34B C33B 107.46(8) . . ?
C35B C34B C29B 119.17(10) . . ?
C33B C34B C29B 119.59(8) . . ?
C35B C34B Sc2B 75.27(9) . . ?
C33B C34B Sc2B 70.67(9) . . ?
C29B C34B Sc2B 85.74(10) . . ?
C36B C35B C34B 108.53(8) . . ?
C36B C35B C47B 119.88(9) . . ?
C34B C35B C47B 120.19(9) . . ?
C36B C35B Sc2B 71.19(9) . . ?
C34B C35B Sc2B 68.62(8) . . ?
C47B C35B Sc2B 95.02(10) . . ?
C35B C36B C37B 107.60(8) . . ?
C35B C36B C41B 119.35(10) . . ?
C37B C36B C41B 119.62(8) . . ?
C35B C36B Sc2B 73.19(10) . . ?
C37B C36B Sc2B 70.34(9) . . ?
C41B C36B Sc2B 88.44(9) . . ?
C33B C37B C38B 108.11(9) . . ?
C33B C37B C36B 108.19(8) . . ?
C38B C37B C36B 119.76(10) . . ?
C33B C37B Sc2B 70.09(9) . . ?
C38B C37B Sc2B 76.07(11) . . ?
C36B C37B Sc2B 73.36(10) . . ?
C62B C38B C37B 107.87(8) . . ?
C62B C38B C39B 119.29(10) . . ?
C37B C38B C39B 119.75(8) . . ?
C62B C38B Sc2B 75.95(8) . . ?
C37B C38B Sc2B 68.26(9) . . ?
C39B C38B Sc2B 88.36(9) . . ?
C40B C39B C61B 119.14(8) . . ?
C40B C39B C38B 119.59(8) . . ?
C61B C39B C38B 117.08(8) . . ?
C40B C39B Sc2B 83.34(9) . . ?
C61B C39B Sc2B 107.74(10) . . ?
C38B C39B Sc2B 59.91(7) . . ?
C39B C40B C3B 118.77(8) . . ?
C39B C40B C41B 119.92(8) . . ?
C3B C40B C41B 118.83(8) . . ?
C39B C40B Sc1B 97.69(10) . . ?
C3B C40B Sc1B 60.06(8) . . ?
C41B C40B Sc1B 96.40(10) . . ?
C40B C41B C42B 118.87(9) . . ?
C40B C41B C36B 119.47(8) . . ?
C42B C41B C36B 116.96(8) . . ?
C40B C41B Sc2B 85.18(10) . . ?
C42B C41B Sc2B 105.25(10) . . ?
C36B C41B Sc2B 59.09(8) . . ?
C43B C42B C46B 107.70(9) . . ?
C43B C42B C41B 120.17(9) . . ?
C46B C42B C41B 120.08(10) . . ?
C44B C43B C42B 108.33(8) . . ?
C44B C43B C4B 120.25(8) . . ?
C42B C43B C4B 120.09(8) . . ?
C44B C43B Sc1B 80.31(10) . . ?
C42B C43B Sc1B 97.61(10) . . ?
C4B C43B Sc1B 61.50(8) . . ?
C43B C44B C45B 107.82(8) . . ?
C43B C44B C56B 119.76(8) . . ?
C45B C44B C56B 121.06(10) . . ?
C43B C44B Sc1B 70.74(9) . . ?
C45B C44B Sc1B 105.85(10) . . ?
C56B C44B Sc1B 64.08(9) . . ?
C44B C45B C46B 107.89(9) . . ?
C44B C45B C50B 120.04(11) . . ?
C46B C45B C50B 120.01(10) . . ?
C42B C46B C45B 107.76(9) . . ?
C42B C46B C47B 119.84(10) . . ?
C45B C46B C47B 120.16(10) . . ?
C35B C47B C46B 119.08(8) . . ?
C35B C47B C48B 118.97(8) . . ?
C46B C47B C48B 118.61(9) . . ?
C35B C47B Sc2B 54.97(7) . . ?
C46B C47B Sc2B 100.10(9) . . ?
C48B C47B Sc2B 97.02(9) . . ?
C28B C48B C49B 107.90(10) . . ?
C28B C48B C47B 120.09(10) . . ?
C49B C48B C47B 120.14(9) . . ?
C54B C49B C48B 108.00(10) . . ?
C54B C49B C50B 120.46(11) . . ?
C48B C49B C50B 120.41(10) . . ?
C49B C50B C45B 118.56(10) . . ?
C49B C50B C51B 118.64(11) . . ?
C45B C50B C51B 118.66(10) . . ?
C52B C51B C55B 108.20(11) . . ?
C52B C51B C50B 120.59(11) . . ?
C55B C51B C50B 120.64(12) . . ?
C51B C52B C14B 108.12(11) . . ?
C51B C52B C53B 120.43(11) . . ?
C14B C52B C53B 120.53(11) . . ?
C54B C53B C21B 118.95(9) . . ?
C54B C53B C52B 118.41(10) . . ?
C21B C53B C52B 118.04(9) . . ?
C54B C53B Sc3B 90.31(11) . . ?
C21B C53B Sc3B 59.70(8) . . ?
C52B C53B Sc3B 99.07(10) . . ?
C27B C54B C49B 107.82(10) . . ?
C27B C54B C53B 120.33(11) . . ?
C49B C54B C53B 120.92(10) . . ?
C51B C55B C13B 107.92(10) . . ?
C51B C55B C56B 120.40(12) . . ?
C13B C55B C56B 120.30(11) . . ?
C6B C56B C44B 119.18(8) . . ?
C6B C56B C55B 117.83(9) . . ?
C44B C56B C55B 118.48(9) . . ?
C6B C56B Sc1B 62.48(8) . . ?
C44B C56B Sc1B 85.96(9) . . ?
C55B C56B Sc1B 101.09(10) . . ?
C58B C57B C61B 108.29(9) . . ?
C58B C57B C2B 120.21(9) . . ?
C61B C57B C2B 120.01(8) . . ?
C58B C57B Sc1B 81.46(10) . . ?
C61B C57B Sc1B 97.30(10) . . ?
C2B C57B Sc1B 60.47(8) . . ?
C57B C58B C59B 107.71(9) . . ?
C57B C58B C9B 120.15(9) . . ?
C59B C58B C9B 120.61(10) . . ?
C58B C59B C60B 108.10(10) . . ?
C58B C59B C69B 120.31(10) . . ?
C60B C59B C69B 120.36(10) . . ?
C61B C60B C59B 107.81(9) . . ?
C61B C60B C63B 119.95(10) . . ?
C59B C60B C63B 120.08(10) . . ?
C60B C61B C57B 107.59(9) . . ?
C60B C61B C39B 119.97(10) . . ?
C57B C61B C39B 120.13(9) . . ?
C38B C62B C32B 108.30(8) . . ?
C38B C62B C63B 119.87(9) . . ?
C32B C62B C63B 120.08(9) . . ?
C38B C62B Sc2B 69.85(8) . . ?
C32B C62B Sc2B 67.54(8) . . ?
C63B C62B Sc2B 96.90(11) . . ?
C62B C63B C64B 119.02(9) . . ?
C62B C63B C60B 118.92(9) . . ?
C64B C63B C60B 118.54(9) . . ?
C65B C64B C68B 108.02(10) . . ?
C65B C64B C63B 120.11(10) . . ?
C68B C64B C63B 120.41(9) . . ?
C66B C65B C64B 107.63(9) . . ?
C66B C65B C31B 120.70(9) . . ?
C64B C65B C31B 120.22(9) . . ?
C67B C66B C65B 108.13(8) . . ?
C67B C66B C24B 120.15(8) . . ?
C65B C66B C24B 120.02(9) . . ?
C67B C66B Sc3B 75.72(10) . . ?
C65B C66B Sc3B 98.98(9) . . ?
C24B C66B Sc3B 64.17(9) . . ?
C66B C67B C68B 107.78(9) . . ?
C66B C67B C18B 120.15(8) . . ?
C68B C67B C18B 120.48(9) . . ?
C66B C67B Sc3B 73.41(9) . . ?
C68B C67B Sc3B 105.48(10) . . ?
C18B C67B Sc3B 61.80(8) . . ?
C64B C68B C67B 107.90(9) . . ?
C64B C68B C69B 120.02(10) . . ?
C67B C68B C69B 120.22(10) . . ?
C59B C69B C68B 118.44(9) . . ?
C59B C69B C70B 118.99(9) . . ?
C68B C69B C70B 118.94(9) . . ?
C10B C70B C17B 108.11(9) . . ?
C10B C70B C69B 120.21(11) . . ?
C17B C70B C69B 120.35(10) . . ?
C2S C1S C3S 121.2(13) . . ?
C2S C1S H1S 119.4 . . ?
C3S C1S H1S 119.4 . . ?
C1S C2S C3S 123.1(12) . 3_756 ?
C1S C2S H2S 118.4 . . ?
C3S C2S H2S 118.4 3_756 . ?
C1S C3S H3S 122.2 . . ?
C2S C3S H3S 122.2 3_756 . ?
C9S C4S C5S 119.5(9) . . ?
C9S C4S C10S 121.9(7) . . ?
C5S C4S C10S 118.5(8) . . ?
C4S C5S C6S 119.2(7) . . ?
C4S C5S H5S 120.4 . . ?
C6S C5S H5S 120.4 . . ?
C7S C6S C5S 120.2(7) . . ?
C7S C6S H6S 119.9 . . ?
C5S C6S H6S 119.9 . . ?
C6S C7S C8S 121.1(9) . . ?
C6S C7S H7S 119.5 . . ?
C8S C7S H7S 119.5 . . ?
C7S C8S C9S 118.8(7) . . ?
C7S C8S H8S 120.6 . . ?
C9S C8S H8S 120.6 . . ?
C4S C9S C8S 121.1(6) . . ?
C4S C9S H9S 119.4 . . ?
C8S C9S H9S 119.4 . . ?
C4S C10S H10A 109.5 . . ?
C4S C10S H10B 109.5 . . ?
H10A C10S H10B 109.5 . . ?
C4S C10S H10C 109.5 . . ?
H10A C10S H10C 109.5 . . ?
H10B C10S H10C 109.5 . . ?
N3P Ni1P N1P 178.11(7) . . ?
N3P Ni1P N4P 90.09(6) . . ?
N1P Ni1P N4P 89.62(6) . . ?
N3P Ni1P N2P 90.09(6) . . ?
N1P Ni1P N2P 90.12(6) . . ?
N4P Ni1P N2P 177.45(7) . . ?
C1P N1P C4P 103.96(12) . . ?
C1P N1P Ni1P 128.22(9) . . ?
C4P N1P Ni1P 127.78(11) . . ?
C6P N2P C9P 104.41(12) . . ?
C6P N2P Ni1P 127.58(12) . . ?
C9P N2P Ni1P 127.98(9) . . ?
C14P N3P C11P 104.25(12) . . ?
C14P N3P Ni1P 127.56(12) . . ?
C11P N3P Ni1P 128.16(10) . . ?
C19P N4P C16P 104.04(12) . . ?
C19P N4P Ni1P 128.18(10) . . ?
C16P N4P Ni1P 127.77(11) . . ?
C20P C1P N1P 125.00(15) . . ?
C20P C1P C2P 123.00(17) . . ?
N1P C1P C2P 111.97(12) . . ?
C3P C2P C1P 106.26(14) . . ?
C3P C2P C21P 129.16(17) . . ?
C1P C2P C21P 124.51(17) . . ?
C2P C3P C4P 106.81(12) . . ?
C2P C3P C23P 128.67(18) . . ?
C4P C3P C23P 124.45(17) . . ?
C5P C4P N1P 124.65(15) . . ?
C5P C4P C3P 124.35(14) . . ?
N1P C4P C3P 110.99(14) . . ?
C4P C5P C6P 124.63(16) . . ?
C4P C5P H5P 117.7 . . ?
C6P C5P H5P 117.7 . . ?
C5P C6P N2P 125.20(15) . . ?
C5P C6P C7P 123.53(14) . . ?
N2P C6P C7P 111.27(14) . . ?
C8P C7P C6P 106.42(13) . . ?
C8P C7P C25P 129.39(19) . . ?
C6P C7P C25P 124.12(18) . . ?
C7P C8P C9P 107.20(14) . . ?
C7P C8P C27P 128.03(18) . . ?
C9P C8P C27P 124.70(18) . . ?
C10P C9P N2P 124.00(15) . . ?
C10P C9P C8P 125.30(17) . . ?
N2P C9P C8P 110.69(13) . . ?
C11P C10P C9P 125.7(2) . . ?
C11P C10P H10P 117.2 . . ?
C9P C10P H10P 117.2 . . ?
C10P C11P N3P 124.06(15) . . ?
C10P C11P C12P 125.21(16) . . ?
N3P C11P C12P 110.73(12) . . ?
C13P C12P C11P 107.08(14) . . ?
C13P C12P C29P 127.57(18) . . ?
C11P C12P C29P 125.23(18) . . ?
C12P C13P C14P 106.59(12) . . ?
C12P C13P C31P 129.02(18) . . ?
C14P C13P C31P 124.34(18) . . ?
C15P C14P N3P 125.72(15) . . ?
C15P C14P C13P 122.93(14) . . ?
N3P C14P C13P 111.35(14) . . ?
C14P C15P C16P 123.80(16) . . ?
C14P C15P H15P 118.1 . . ?
C16P C15P H15P 118.1 . . ?
C15P C16P N4P 125.04(15) . . ?
C15P C16P C17P 123.41(14) . . ?
N4P C16P C17P 111.55(14) . . ?
C18P C17P C16P 106.20(12) . . ?
C18P C17P C33P 128.66(19) . . ?
C16P C17P C33P 125.07(17) . . ?
C17P C18P C19P 106.71(14) . . ?
C17P C18P C35P 129.29(18) . . ?
C19P C18P C35P 123.95(17) . . ?
N4P C19P C20P 125.16(15) . . ?
N4P C19P C18P 111.50(12) . . ?
C20P C19P C18P 123.32(17) . . ?
C1P C20P C19P 123.82(19) . . ?
C1P C20P H20P 118.1 . . ?
C19P C20P H20P 118.1 . . ?
C2P C21P C22P 112.05(17) . . ?
C2P C21P H21A 109.2 . . ?
C22P C21P H21A 109.2 . . ?
C2P C21P H21B 109.2 . . ?
C22P C21P H21B 109.2 . . ?
H21A C21P H21B 107.9 . . ?
C21P C22P H22A 109.5 . . ?
C21P C22P H22B 109.5 . . ?
H22A C22P H22B 109.5 . . ?
C21P C22P H22C 109.5 . . ?
H22A C22P H22C 109.5 . . ?
H22B C22P H22C 109.5 . . ?
C3P C23P C24P 111.99(18) . . ?
C3P C23P H23A 109.2 . . ?
C24P C23P H23A 109.2 . . ?
C3P C23P H23B 109.2 . . ?
C24P C23P H23B 109.2 . . ?
H23A C23P H23B 107.9 . . ?
C23P C24P H24A 109.5 . . ?
C23P C24P H24B 109.5 . . ?
H24A C24P H24B 109.5 . . ?
C23P C24P H24C 109.5 . . ?
H24A C24P H24C 109.5 . . ?
H24B C24P H24C 109.5 . . ?
C7P C25P C26P 111.92(19) . . ?
C7P C25P H25A 109.2 . . ?
C26P C25P H25A 109.2 . . ?
C7P C25P H25B 109.2 . . ?
C26P C25P H25B 109.2 . . ?
H25A C25P H25B 107.9 . . ?
C25P C26P H26A 109.5 . . ?
C25P C26P H26B 109.5 . . ?
H26A C26P H26B 109.5 . . ?
C25P C26P H26C 109.5 . . ?
H26A C26P H26C 109.5 . . ?
H26B C26P H26C 109.5 . . ?
C8P C27P C28P 112.4(2) . . ?
C8P C27P H27A 109.1 . . ?
C28P C27P H27A 109.1 . . ?
C8P C27P H27B 109.1 . . ?
C28P C27P H27B 109.1 . . ?
H27A C27P H27B 107.9 . . ?
C27P C28P H28A 109.5 . . ?
C27P C28P H28B 109.5 . . ?
H28A C28P H28B 109.5 . . ?
C27P C28P H28C 109.5 . . ?
H28A C28P H28C 109.5 . . ?
H28B C28P H28C 109.5 . . ?
C30P C29P C12P 112.6(2) . . ?
C30P C29P H29A 109.1 . . ?
C12P C29P H29A 109.1 . . ?
C30P C29P H29B 109.1 . . ?
C12P C29P H29B 109.1 . . ?
H29A C29P H29B 107.8 . . ?
C29P C30P H30A 109.5 . . ?
C29P C30P H30B 109.5 . . ?
H30A C30P H30B 109.5 . . ?
C29P C30P H30C 109.5 . . ?
H30A C30P H30C 109.5 . . ?
H30B C30P H30C 109.5 . . ?
C13P C31P C32P 113.31(18) . . ?
C13P C31P H31A 108.9 . . ?
C32P C31P H31A 108.9 . . ?
C13P C31P H31B 108.9 . . ?
C32P C31P H31B 108.9 . . ?
H31A C31P H31B 107.7 . . ?
C31P C32P H32A 109.5 . . ?
C31P C32P H32B 109.5 . . ?
H32A C32P H32B 109.5 . . ?
C31P C32P H32C 109.5 . . ?
H32A C32P H32C 109.5 . . ?
H32B C32P H32C 109.5 . . ?
C17P C33P C34P 112.95(19) . . ?
C17P C33P H33A 109.0 . . ?
C34P C33P H33A 109.0 . . ?
C17P C33P H33B 109.0 . . ?
C34P C33P H33B 109.0 . . ?
H33A C33P H33B 107.8 . . ?
C33P C34P H34A 109.5 . . ?
C33P C34P H34B 109.5 . . ?
H34A C34P H34B 109.5 . . ?
C33P C34P H34C 109.5 . . ?
H34A C34P H34C 109.5 . . ?
H34B C34P H34C 109.5 . . ?
C18P C35P C36P 111.74(18) . . ?
C18P C35P H35A 109.3 . . ?
C36P C35P H35A 109.3 . . ?
C18P C35P H35B 109.3 . . ?
C36P C35P H35B 109.3 . . ?
H35A C35P H35B 107.9 . . ?
C35P C36P H36A 109.5 . . ?
C35P C36P H36B 109.5 . . ?
H36A C36P H36B 109.5 . . ?
C35P C36P H36C 109.5 . . ?
H36A C36P H36C 109.5 . . ?
H36B C36P H36C 109.5 . . ?
N3Q Ni1Q N1Q 178.01(10) . . ?
N3Q Ni1Q N4Q 90.09(6) . . ?
N1Q Ni1Q N4Q 89.62(6) . . ?
N3Q Ni1Q N2Q 90.09(6) . . ?
N1Q Ni1Q N2Q 90.12(6) . . ?
N4Q Ni1Q N2Q 177.61(10) . . ?
C1Q N1Q C4Q 103.96(12) . . ?
C1Q N1Q Ni1Q 128.22(9) . . ?
C4Q N1Q Ni1Q 127.78(11) . . ?
C6Q N2Q C9Q 104.41(12) . . ?
C6Q N2Q Ni1Q 127.59(12) . . ?
C9Q N2Q Ni1Q 127.98(10) . . ?
C14Q N3Q C11Q 104.25(12) . . ?
C14Q N3Q Ni1Q 127.55(12) . . ?
C11Q N3Q Ni1Q 128.16(10) . . ?
C19Q N4Q C16Q 104.04(12) . . ?
C19Q N4Q Ni1Q 128.18(10) . . ?
C16Q N4Q Ni1Q 127.77(11) . . ?
C20Q C1Q N1Q 125.00(15) . . ?
C20Q C1Q C2Q 123.00(17) . . ?
N1Q C1Q C2Q 111.97(12) . . ?
C3Q C2Q C1Q 106.26(14) . . ?
C3Q C2Q C21Q 129.16(17) . . ?
C1Q C2Q C21Q 124.50(17) . . ?
C2Q C3Q C4Q 106.81(12) . . ?
C2Q C3Q C23Q 128.67(18) . . ?
C4Q C3Q C23Q 124.45(17) . . ?
C5Q C4Q N1Q 124.65(15) . . ?
C5Q C4Q C3Q 124.36(14) . . ?
N1Q C4Q C3Q 110.99(14) . . ?
C4Q C5Q C6Q 124.64(16) . . ?
C4Q C5Q H5Q 117.7 . . ?
C6Q C5Q H5Q 117.7 . . ?
C5Q C6Q N2Q 125.20(15) . . ?
C5Q C6Q C7Q 123.53(14) . . ?
N2Q C6Q C7Q 111.27(14) . . ?
C8Q C7Q C6Q 106.41(13) . . ?
C8Q C7Q C25Q 129.38(19) . . ?
C6Q C7Q C25Q 124.12(18) . . ?
C7Q C8Q C9Q 107.19(15) . . ?
C7Q C8Q C27Q 128.02(18) . . ?
C9Q C8Q C27Q 124.70(18) . . ?
C10Q C9Q N2Q 124.01(15) . . ?
C10Q C9Q C8Q 125.31(17) . . ?
N2Q C9Q C8Q 110.69(13) . . ?
C11Q C10Q C9Q 125.7(2) . . ?
C11Q C10Q H10Q 117.2 . . ?
C9Q C10Q H10Q 117.2 . . ?
C10Q C11Q N3Q 124.05(15) . . ?
C10Q C11Q C12Q 125.20(16) . . ?
N3Q C11Q C12Q 110.72(12) . . ?
C13Q C12Q C11Q 107.08(14) . . ?
C13Q C12Q C29Q 127.57(18) . . ?
C11Q C12Q C29Q 125.23(18) . . ?
C12Q C13Q C14Q 106.58(12) . . ?
C12Q C13Q C31Q 129.02(18) . . ?
C14Q C13Q C31Q 124.35(18) . . ?
C15Q C14Q N3Q 125.72(15) . . ?
C15Q C14Q C13Q 122.93(14) . . ?
N3Q C14Q C13Q 111.34(14) . . ?
C14Q C15Q C16Q 123.80(16) . . ?
C14Q C15Q H15Q 118.1 . . ?
C16Q C15Q H15Q 118.1 . . ?
C15Q C16Q N4Q 125.04(15) . . ?
C15Q C16Q C17Q 123.41(14) . . ?
N4Q C16Q C17Q 111.55(14) . . ?
C18Q C17Q C16Q 106.20(12) . . ?
C18Q C17Q C33Q 128.66(19) . . ?
C16Q C17Q C33Q 125.07(17) . . ?
C17Q C18Q C19Q 106.71(14) . . ?
C17Q C18Q C35Q 129.29(18) . . ?
C19Q C18Q C35Q 123.95(17) . . ?
N4Q C19Q C20Q 125.16(15) . . ?
N4Q C19Q C18Q 111.50(12) . . ?
C20Q C19Q C18Q 123.32(17) . . ?
C1Q C20Q C19Q 123.82(19) . . ?
C1Q C20Q H20Q 118.1 . . ?
C19Q C20Q H20Q 118.1 . . ?
C2Q C21Q C22Q 112.05(17) . . ?
C2Q C21Q H21C 109.2 . . ?
C22Q C21Q H21C 109.2 . . ?
C2Q C21Q H21D 109.2 . . ?
C22Q C21Q H21D 109.2 . . ?
H21C C21Q H21D 107.9 . . ?
C21Q C22Q H22D 109.5 . . ?
C21Q C22Q H22E 109.5 . . ?
H22D C22Q H22E 109.5 . . ?
C21Q C22Q H22F 109.5 . . ?
H22D C22Q H22F 109.5 . . ?
H22E C22Q H22F 109.5 . . ?
C3Q C23Q C24Q 111.99(18) . . ?
C3Q C23Q H23C 109.2 . . ?
C24Q C23Q H23C 109.2 . . ?
C3Q C23Q H23D 109.2 . . ?
C24Q C23Q H23D 109.2 . . ?
H23C C23Q H23D 107.9 . . ?
C23Q C24Q H24D 109.5 . . ?
C23Q C24Q H24E 109.5 . . ?
H24D C24Q H24E 109.5 . . ?
C23Q C24Q H24F 109.5 . . ?
H24D C24Q H24F 109.5 . . ?
H24E C24Q H24F 109.5 . . ?
C7Q C25Q C26Q 111.92(19) . . ?
C7Q C25Q H25C 109.2 . . ?
C26Q C25Q H25C 109.2 . . ?
C7Q C25Q H25D 109.2 . . ?
C26Q C25Q H25D 109.2 . . ?
H25C C25Q H25D 107.9 . . ?
C25Q C26Q H26D 109.5 . . ?
C25Q C26Q H26E 109.5 . . ?
H26D C26Q H26E 109.5 . . ?
C25Q C26Q H26F 109.5 . . ?
H26D C26Q H26F 109.5 . . ?
H26E C26Q H26F 109.5 . . ?
C8Q C27Q C28Q 112.4(2) . . ?
C8Q C27Q H27C 109.1 . . ?
C28Q C27Q H27C 109.1 . . ?
C8Q C27Q H27D 109.1 . . ?
C28Q C27Q H27D 109.1 . . ?
H27C C27Q H27D 107.9 . . ?
C27Q C28Q H28D 109.5 . . ?
C27Q C28Q H28E 109.5 . . ?
H28D C28Q H28E 109.5 . . ?
C27Q C28Q H28F 109.5 . . ?
H28D C28Q H28F 109.5 . . ?
H28E C28Q H28F 109.5 . . ?
C30Q C29Q C12Q 112.6(2) . . ?
C30Q C29Q H29C 109.1 . . ?
C12Q C29Q H29C 109.1 . . ?
C30Q C29Q H29D 109.1 . . ?
C12Q C29Q H29D 109.1 . . ?
H29C C29Q H29D 107.8 . . ?
C29Q C30Q H30D 109.5 . . ?
C29Q C30Q H30E 109.5 . . ?
H30D C30Q H30E 109.5 . . ?
C29Q C30Q H30F 109.5 . . ?
H30D C30Q H30F 109.5 . . ?
H30E C30Q H30F 109.5 . . ?
C13Q C31Q C32Q 113.31(18) . . ?
C13Q C31Q H31C 108.9 . . ?
C32Q C31Q H31C 108.9 . . ?
C13Q C31Q H31D 108.9 . . ?
C32Q C31Q H31D 108.9 . . ?
H31C C31Q H31D 107.7 . . ?
C31Q C32Q H32D 109.5 . . ?
C31Q C32Q H32E 109.5 . . ?
H32D C32Q H32E 109.5 . . ?
C31Q C32Q H32F 109.5 . . ?
H32D C32Q H32F 109.5 . . ?
H32E C32Q H32F 109.5 . . ?
C17Q C33Q C34Q 112.95(19) . . ?
C17Q C33Q H33C 109.0 . . ?
C34Q C33Q H33C 109.0 . . ?
C17Q C33Q H33D 109.0 . . ?
C34Q C33Q H33D 109.0 . . ?
H33C C33Q H33D 107.8 . . ?
C33Q C34Q H34D 109.5 . . ?
C33Q C34Q H34E 109.5 . . ?
H34D C34Q H34E 109.5 . . ?
C33Q C34Q H34F 109.5 . . ?
H34D C34Q H34F 109.5 . . ?
H34E C34Q H34F 109.5 . . ?
C18Q C35Q C36Q 111.74(18) . . ?
C18Q C35Q H35C 109.3 . . ?
C36Q C35Q H35C 109.3 . . ?
C18Q C35Q H35D 109.3 . . ?
C36Q C35Q H35D 109.3 . . ?
H35C C35Q H35D 107.9 . . ?
C35Q C36Q H36D 109.5 . . ?
C35Q C36Q H36E 109.5 . . ?
H36D C36Q H36E 109.5 . . ?
C35Q C36Q H36F 109.5 . . ?
H36D C36Q H36F 109.5 . . ?
H36E C36Q H36F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5A C1A C2A C3A 0.68(12) . . . . ?
C8A C1A C2A C3A -123.37(11) . . . . ?
Sc1A C1A C2A C3A -65.07(9) . . . . ?
C5A C1A C2A C57A 142.06(10) . . . . ?
C8A C1A C2A C57A 18.02(14) . . . . ?
Sc1A C1A C2A C57A 76.32(9) . . . . ?
C5A C1A C2A Sc1A 65.75(8) . . . . ?
C8A C1A C2A Sc1A -58.30(9) . . . . ?
C1A C2A C3A C4A -1.25(13) . . . . ?
C57A C2A C3A C4A -142.23(10) . . . . ?
Sc1A C2A C3A C4A -64.11(9) . . . . ?
C1A C2A C3A C40A 140.96(11) . . . . ?
C57A C2A C3A C40A -0.02(17) . . . . ?
Sc1A C2A C3A C40A 78.09(12) . . . . ?
C1A C2A C3A Sc1A 62.87(9) . . . . ?
C57A C2A C3A Sc1A -78.12(10) . . . . ?
C2A C3A C4A C5A 1.35(13) . . . . ?
C40A C3A C4A C5A -140.91(11) . . . . ?
Sc1A C3A C4A C5A -62.44(9) . . . . ?
C2A C3A C4A C43A 142.07(10) . . . . ?
C40A C3A C4A C43A -0.18(17) . . . . ?
Sc1A C3A C4A C43A 78.28(10) . . . . ?
C2A C3A C4A Sc1A 63.79(9) . . . . ?
C40A C3A C4A Sc1A -78.46(12) . . . . ?
C8A C1A C5A C6A 0.30(11) . . . . ?
C2A C1A C5A C6A -130.43(9) . . . . ?
Sc1A C1A C5A C6A -63.40(8) . . . . ?
C8A C1A C5A C4A 130.89(9) . . . . ?
C2A C1A C5A C4A 0.16(12) . . . . ?
Sc1A C1A C5A C4A 67.19(9) . . . . ?
C8A C1A C5A Sc1A 63.70(8) . . . . ?
C2A C1A C5A Sc1A -67.02(9) . . . . ?
C3A C4A C5A C1A -0.94(12) . . . . ?
C43A C4A C5A C1A -142.12(10) . . . . ?
Sc1A C4A C5A C1A -65.42(8) . . . . ?
C3A C4A C5A C6A 123.01(11) . . . . ?
C43A C4A C5A C6A -18.17(15) . . . . ?
Sc1A C4A C5A C6A 58.53(9) . . . . ?
C3A C4A C5A Sc1A 64.49(9) . . . . ?
C43A C4A C5A Sc1A -76.70(10) . . . . ?
C1A C5A C6A C7A -4.58(11) . . . . ?
C4A C5A C6A C7A -128.54(10) . . . . ?
Sc1A C5A C6A C7A -68.38(8) . . . . ?
C1A C5A C6A C56A 138.33(10) . . . . ?
C4A C5A C6A C56A 14.38(15) . . . . ?
Sc1A C5A C6A C56A 74.54(10) . . . . ?
C1A C5A C6A Sc1A 63.80(8) . . . . ?
C4A C5A C6A Sc1A -60.16(9) . . . . ?
C5A C6A C7A C8A 7.11(11) . . . . ?
C56A C6A C7A C8A -135.54(10) . . . . ?
Sc1A C6A C7A C8A -59.57(8) . . . . ?
C5A C6A C7A C12A 149.40(10) . . . . ?
C56A C6A C7A C12A 6.74(15) . . . . ?
Sc1A C6A C7A C12A 82.72(10) . . . . ?
C5A C6A C7A Sc1A 66.68(8) . . . . ?
C56A C6A C7A Sc1A -75.98(10) . . . . ?
C5A C1A C8A C7A 4.10(11) . . . . ?
C2A C1A C8A C7A 128.05(10) . . . . ?
Sc1A C1A C8A C7A 68.36(8) . . . . ?
C5A C1A C8A C9A -137.96(10) . . . . ?
C2A C1A C8A C9A -14.01(14) . . . . ?
Sc1A C1A C8A C9A -73.70(10) . . . . ?
C5A C1A C8A Sc1A -64.26(8) . . . . ?
C2A C1A C8A Sc1A 59.68(9) . . . . ?
C6A C7A C8A C1A -6.92(11) . . . . ?
C12A C7A C8A C1A -149.16(10) . . . . ?
Sc1A C7A C8A C1A -66.52(8) . . . . ?
C6A C7A C8A C9A 134.98(10) . . . . ?
C12A C7A C8A C9A -7.25(15) . . . . ?
Sc1A C7A C8A C9A 75.39(9) . . . . ?
C6A C7A C8A Sc1A 59.59(8) . . . . ?
C12A C7A C8A Sc1A -82.64(10) . . . . ?
C1A C8A C9A C58A 0.23(15) . . . . ?
C7A C8A C9A C58A -137.19(11) . . . . ?
Sc1A C8A C9A C58A -66.89(11) . . . . ?
C1A C8A C9A C10A 155.82(11) . . . . ?
C7A C8A C9A C10A 18.39(15) . . . . ?
Sc1A C8A C9A C10A 88.69(11) . . . . ?
C1A C8A C9A Sc1A 67.13(9) . . . . ?
C7A C8A C9A Sc1A -70.30(9) . . . . ?
C8A C9A C10A C70A -152.29(13) . . . . ?
C58A C9A C10A C70A 3.27(19) . . . . ?
Sc1A C9A C10A C70A -87.75(14) . . . . ?
C8A C9A C10A C11A -12.97(19) . . . . ?
C58A C9A C10A C11A 142.59(14) . . . . ?
Sc1A C9A C10A C11A 51.57(15) . . . . ?
C70A C10A C11A C16A -3.07(19) . . . . ?
C9A C10A C11A C16A -146.78(14) . . . . ?
C70A C10A C11A C12A 140.16(14) . . . . ?
C9A C10A C11A C12A -3.5(2) . . . . ?
C8A C7A C12A C11A -9.44(16) . . . . ?
C6A C7A C12A C11A -147.14(12) . . . . ?
Sc1A C7A C12A C11A -78.26(12) . . . . ?
C8A C7A C12A C13A 147.59(12) . . . . ?
C6A C7A C12A C13A 9.89(17) . . . . ?
Sc1A C7A C12A C13A 78.77(12) . . . . ?
C10A C11A C12A C7A 14.8(2) . . . . ?
C16A C11A C12A C7A 153.48(14) . . . . ?
C10A C11A C12A C13A -142.04(15) . . . . ?
C16A C11A C12A C13A -3.4(2) . . . . ?
C7A C12A C13A C55A -15.0(2) . . . . ?
C11A C12A C13A C55A 141.86(15) . . . . ?
C7A C12A C13A C14A -153.58(15) . . . . ?
C11A C12A C13A C14A 3.3(2) . . . . ?
C55A C13A C14A C52A -0.4(2) . . . . ?
C12A C13A C14A C52A 142.41(16) . . . . ?
C55A C13A C14A C15A -142.74(16) . . . . ?
C12A C13A C14A C15A 0.1(3) . . . . ?
C52A C14A C15A C16A -141.20(16) . . . . ?
C13A C14A C15A C16A -3.4(2) . . . . ?
C52A C14A C15A C20A 15.9(2) . . . . ?
C13A C14A C15A C20A 153.61(16) . . . . ?
C52A C14A C15A Sc3A -38.86(16) . . . . ?
C13A C14A C15A Sc3A 98.89(16) . . . . ?
C10A C11A C16A C17A 0.2(2) . . . . ?
C12A C11A C16A C17A -142.75(15) . . . . ?
C10A C11A C16A C15A 142.97(15) . . . . ?
C12A C11A C16A C15A 0.0(2) . . . . ?
C20A C15A C16A C11A -153.63(15) . . . . ?
C14A C15A C16A C11A 3.4(2) . . . . ?
Sc3A C15A C16A C11A -97.50(15) . . . . ?
C20A C15A C16A C17A -15.3(2) . . . . ?
C14A C15A C16A C17A 141.72(15) . . . . ?
Sc3A C15A C16A C17A 40.84(15) . . . . ?
C11A C16A C17A C70A 2.76(19) . . . . ?
C15A C16A C17A C70A -140.23(15) . . . . ?
C11A C16A C17A C18A 145.83(15) . . . . ?
C15A C16A C17A C18A 2.8(2) . . . . ?
C70A C17A C18A C67A -4.6(2) . . . . ?
C16A C17A C18A C67A -143.13(14) . . . . ?
C70A C17A C18A C19A 153.28(15) . . . . ?
C16A C17A C18A C19A 14.7(2) . . . . ?
C70A C17A C18A Sc3A 89.80(15) . . . . ?
C16A C17A C18A Sc3A -48.74(16) . . . . ?
C67A C18A C19A C23A 1.69(19) . . . . ?
C17A C18A C19A C23A -156.14(13) . . . . ?
Sc3A C18A C19A C23A -68.57(12) . . . . ?
C67A C18A C19A C20A 137.99(13) . . . . ?
C17A C18A C19A C20A -19.84(19) . . . . ?
Sc3A C18A C19A C20A 67.73(12) . . . . ?
C67A C18A C19A Sc3A 70.26(12) . . . . ?
C17A C18A C19A Sc3A -87.57(13) . . . . ?
C23A C19A C20A C21A 6.95(17) . . . . ?
C18A C19A C20A C21A -133.93(13) . . . . ?
Sc3A C19A C20A C21A -59.18(11) . . . . ?
C23A C19A C20A C15A 148.35(13) . . . . ?
C18A C19A C20A C15A 7.46(19) . . . . ?
Sc3A C19A C20A C15A 82.22(13) . . . . ?
C23A C19A C20A Sc3A 66.13(10) . . . . ?
C18A C19A C20A Sc3A -74.75(12) . . . . ?
C16A C15A C20A C21A 146.92(14) . . . . ?
C14A C15A C20A C21A -10.24(19) . . . . ?
Sc3A C15A C20A C21A 66.68(12) . . . . ?
C16A C15A C20A C19A 10.1(2) . . . . ?
C14A C15A C20A C19A -147.07(14) . . . . ?
Sc3A C15A C20A C19A -70.16(12) . . . . ?
C16A C15A C20A Sc3A 80.24(13) . . . . ?
C14A C15A C20A Sc3A -76.92(13) . . . . ?
C19A C20A C21A C22A -6.96(17) . . . . ?
C15A C20A C21A C22A -148.39(12) . . . . ?
Sc3A C20A C21A C22A -68.03(10) . . . . ?
C19A C20A C21A C53A 134.51(13) . . . . ?
C15A C20A C21A C53A -6.91(19) . . . . ?
Sc3A C20A C21A C53A 73.44(12) . . . . ?
C19A C20A C21A Sc3A 61.07(11) . . . . ?
C15A C20A C21A Sc3A -80.35(12) . . . . ?
C20A C21A C22A C23A 4.31(16) . . . . ?
C53A C21A C22A C23A -137.37(12) . . . . ?
Sc3A C21A C22A C23A -64.46(10) . . . . ?
C20A C21A C22A C26A 128.00(12) . . . . ?
C53A C21A C22A C26A -13.68(17) . . . . ?
Sc3A C21A C22A C26A 59.23(10) . . . . ?
C20A C21A C22A Sc3A 68.78(11) . . . . ?
C53A C21A C22A Sc3A -72.91(12) . . . . ?
C21A C22A C23A C19A 0.00(15) . . . . ?
C26A C22A C23A C19A -130.53(11) . . . . ?
Sc3A C22A C23A C19A -61.48(10) . . . . ?
C21A C22A C23A C24A 130.72(12) . . . . ?
C26A C22A C23A C24A 0.20(13) . . . . ?
Sc3A C22A C23A C24A 69.24(9) . . . . ?
C21A C22A C23A Sc3A 61.48(10) . . . . ?
C26A C22A C23A Sc3A -69.04(9) . . . . ?
C20A C19A C23A C22A -4.31(16) . . . . ?
C18A C19A C23A C22A 136.54(13) . . . . ?
Sc3A C19A C23A C22A 61.33(10) . . . . ?
C20A C19A C23A C24A -128.15(13) . . . . ?
C18A C19A C23A C24A 12.69(19) . . . . ?
Sc3A C19A C23A C24A -62.51(11) . . . . ?
C20A C19A C23A Sc3A -65.64(11) . . . . ?
C18A C19A C23A Sc3A 75.21(13) . . . . ?
C22A C23A C24A C25A -0.94(13) . . . . ?
C19A C23A C24A C25A 123.00(12) . . . . ?
Sc3A C23A C24A C25A 63.79(9) . . . . ?
C22A C23A C24A C66A -141.59(11) . . . . ?
C19A C23A C24A C66A -17.66(17) . . . . ?
Sc3A C23A C24A C66A -76.87(11) . . . . ?
C22A C23A C24A Sc3A -64.72(9) . . . . ?
C19A C23A C24A Sc3A 59.21(11) . . . . ?
C23A C24A C25A C26A 1.31(12) . . . . ?
C66A C24A C25A C26A 141.65(10) . . . . ?
Sc3A C24A C25A C26A 61.53(8) . . . . ?
C23A C24A C25A C30A -143.10(10) . . . . ?
C66A C24A C25A C30A -2.76(14) . . . . ?
Sc3A C24A C25A C30A -82.88(10) . . . . ?
C23A C24A C25A Sc3A -60.22(9) . . . . ?
C66A C24A C25A Sc3A 80.12(10) . . . . ?
C24A C25A C26A C22A -1.19(13) . . . . ?
C30A C25A C26A C22A 143.34(10) . . . . ?
Sc3A C25A C26A C22A 62.28(8) . . . . ?
C24A C25A C26A C27A -142.07(11) . . . . ?
C30A C25A C26A C27A 2.46(15) . . . . ?
Sc3A C25A C26A C27A -78.60(10) . . . . ?
C24A C25A C26A Sc3A -63.47(8) . . . . ?
C30A C25A C26A Sc3A 81.05(9) . . . . ?
C23A C22A C26A C25A 0.62(13) . . . . ?
C21A C22A C26A C25A -123.24(11) . . . . ?
Sc3A C22A C26A C25A -67.18(9) . . . . ?
C23A C22A C26A C27A 141.77(11) . . . . ?
C21A C22A C26A C27A 17.91(16) . . . . ?
Sc3A C22A C26A C27A 73.97(11) . . . . ?
C23A C22A C26A Sc3A 67.80(9) . . . . ?
C21A C22A C26A Sc3A -56.06(11) . . . . ?
C25A C26A C27A C54A 128.50(13) . . . . ?
C22A C26A C27A C54A -8.33(19) . . . . ?
Sc3A C26A C27A C54A 55.74(14) . . . . ?
C25A C26A C27A C28A -10.93(17) . . . . ?
C22A C26A C27A C28A -147.75(12) . . . . ?
Sc3A C26A C27A C28A -83.68(12) . . . . ?
C25A C26A C27A Sc3A 72.76(10) . . . . ?
C22A C26A C27A Sc3A -64.07(10) . . . . ?
C54A C27A C28A C48A 7.39(17) . . . . ?
C26A C27A C28A C48A 151.10(12) . . . . ?
Sc3A C27A C28A C48A 88.79(11) . . . . ?
C54A C27A C28A C29A -136.15(13) . . . . ?
C26A C27A C28A C29A 7.55(18) . . . . ?
Sc3A C27A C28A C29A -54.76(12) . . . . ?
C27A C28A C29A C30A 4.15(17) . . . . ?
C48A C28A C29A C30A -134.75(12) . . . . ?
C27A C28A C29A C34A 159.65(12) . . . . ?
C48A C28A C29A C34A 20.75(18) . . . . ?
C27A C28A C29A Sc2A 95.54(11) . . . . ?
C48A C28A C29A Sc2A -43.36(14) . . . . ?
C26A C25A C30A C29A 9.07(15) . . . . ?
C24A C25A C30A C29A 148.91(10) . . . . ?
Sc3A C25A C30A C29A 77.25(11) . . . . ?
C26A C25A C30A C31A -148.15(10) . . . . ?
C24A C25A C30A C31A -8.31(15) . . . . ?
Sc3A C25A C30A C31A -79.96(11) . . . . ?
C28A C29A C30A C25A -12.30(16) . . . . ?
C34A C29A C30A C25A -167.13(11) . . . . ?
Sc2A C29A C30A C25A -116.70(10) . . . . ?
C28A C29A C30A C31A 144.75(12) . . . . ?
C34A C29A C30A C31A -10.09(18) . . . . ?
Sc2A C29A C30A C31A 40.35(11) . . . . ?
C25A C30A C31A C65A 11.64(16) . . . . ?
C29A C30A C31A C65A -145.42(12) . . . . ?
C25A C30A C31A C32A 167.21(11) . . . . ?
C29A C30A C31A C32A 10.16(18) . . . . ?
C25A C30A C31A Sc2A 116.50(10) . . . . ?
C29A C30A C31A Sc2A -40.55(11) . . . . ?
C65A C31A C32A C62A 21.67(17) . . . . ?
C30A C31A C32A C62A -134.39(12) . . . . ?
Sc2A C31A C32A C62A -71.87(11) . . . . ?
C65A C31A C32A C33A 157.52(12) . . . . ?
C30A C31A C32A C33A 1.46(18) . . . . ?
Sc2A C31A C32A C33A 63.98(11) . . . . ?
C65A C31A C32A Sc2A 93.55(11) . . . . ?
C30A C31A C32A Sc2A -62.52(11) . . . . ?
C62A C32A C33A C37A 2.50(15) . . . . ?
C31A C32A C33A C37A -137.94(12) . . . . ?
Sc2A C32A C33A C37A -64.66(10) . . . . ?
C62A C32A C33A C34A 127.08(12) . . . . ?
C31A C32A C33A C34A -13.36(18) . . . . ?
Sc2A C32A C33A C34A 59.91(11) . . . . ?
C62A C32A C33A Sc2A 67.16(10) . . . . ?
C31A C32A C33A Sc2A -73.27(12) . . . . ?
C37A C33A C34A C35A -2.08(15) . . . . ?
C32A C33A C34A C35A -126.63(12) . . . . ?
Sc2A C33A C34A C35A -66.97(10) . . . . ?
C37A C33A C34A C29A 137.94(12) . . . . ?
C32A C33A C34A C29A 13.40(18) . . . . ?
Sc2A C33A C34A C29A 73.05(12) . . . . ?
C37A C33A C34A Sc2A 64.89(10) . . . . ?
C32A C33A C34A Sc2A -59.65(10) . . . . ?
C28A C29A C34A C35A -21.47(17) . . . . ?
C30A C29A C34A C35A 133.86(12) . . . . ?
Sc2A C29A C34A C35A 71.86(11) . . . . ?
C28A C29A C34A C33A -156.89(12) . . . . ?
C30A C29A C34A C33A -1.57(18) . . . . ?
Sc2A C29A C34A C33A -63.57(11) . . . . ?
C28A C29A C34A Sc2A -93.32(11) . . . . ?
C30A C29A C34A Sc2A 62.00(11) . . . . ?
C33A C34A C35A C36A 3.57(15) . . . . ?
C29A C34A C35A C36A -136.65(12) . . . . ?
Sc2A C34A C35A C36A -58.83(10) . . . . ?
C33A C34A C35A C47A 146.97(11) . . . . ?
C29A C34A C35A C47A 6.74(17) . . . . ?
Sc2A C34A C35A C47A 84.57(11) . . . . ?
C33A C34A C35A Sc2A 62.40(9) . . . . ?
C29A C34A C35A Sc2A -77.82(11) . . . . ?
C34A C35A C36A C37A -3.69(15) . . . . ?
C47A C35A C36A C37A -147.22(11) . . . . ?
Sc2A C35A C36A C37A -61.77(9) . . . . ?
C34A C35A C36A C41A 136.95(12) . . . . ?
C47A C35A C36A C41A -6.58(17) . . . . ?
Sc2A C35A C36A C41A 78.87(10) . . . . ?
C34A C35A C36A Sc2A 58.08(10) . . . . ?
C47A C35A C36A Sc2A -85.45(11) . . . . ?
C34A C33A C37A C38A -131.27(12) . . . . ?
C32A C33A C37A C38A 0.29(14) . . . . ?
Sc2A C33A C37A C38A -65.20(10) . . . . ?
C34A C33A C37A C36A -0.18(15) . . . . ?
C32A C33A C37A C36A 131.38(12) . . . . ?
Sc2A C33A C37A C36A 65.89(10) . . . . ?
C34A C33A C37A Sc2A -66.07(10) . . . . ?
C32A C33A C37A Sc2A 65.49(10) . . . . ?
C35A C36A C37A C33A 2.38(15) . . . . ?
C41A C36A C37A C33A -138.14(12) . . . . ?
Sc2A C36A C37A C33A -63.32(9) . . . . ?
C35A C36A C37A C38A 126.77(12) . . . . ?
C41A C36A C37A C38A -13.75(17) . . . . ?
Sc2A C36A C37A C38A 61.07(10) . . . . ?
C35A C36A C37A Sc2A 65.69(10) . . . . ?
C41A C36A C37A Sc2A -74.82(11) . . . . ?
C33A C37A C38A C62A -2.99(14) . . . . ?
C36A C37A C38A C62A -127.42(12) . . . . ?
Sc2A C37A C38A C62A -66.03(10) . . . . ?
C33A C37A C38A C39A 137.96(12) . . . . ?
C36A C37A C38A C39A 13.53(17) . . . . ?
Sc2A C37A C38A C39A 74.92(11) . . . . ?
C33A C37A C38A Sc2A 63.04(9) . . . . ?
C36A C37A C38A Sc2A -61.39(10) . . . . ?
C62A C38A C39A C40A 133.97(12) . . . . ?
C37A C38A C39A C40A -2.59(18) . . . . ?
Sc2A C38A C39A C40A 62.31(12) . . . . ?
C62A C38A C39A C61A -22.83(17) . . . . ?
C37A C38A C39A C61A -159.39(13) . . . . ?
Sc2A C38A C39A C61A -94.49(12) . . . . ?
C62A C38A C39A Sc2A 71.66(10) . . . . ?
C37A C38A C39A Sc2A -64.90(10) . . . . ?
C61A C39A C40A C3A -13.69(19) . . . . ?
C38A C39A C40A C3A -170.02(12) . . . . ?
Sc2A C39A C40A C3A -119.84(12) . . . . ?
C61A C39A C40A C41A 148.25(13) . . . . ?
C38A C39A C40A C41A -8.08(18) . . . . ?
Sc2A C39A C40A C41A 42.11(12) . . . . ?
C61A C39A C40A Sc1A 45.65(13) . . . . ?
C38A C39A C40A Sc1A -110.68(10) . . . . ?
Sc2A C39A C40A Sc1A -60.49(5) . . . . ?
C2A C3A C40A C39A 12.02(19) . . . . ?
C4A C3A C40A C39A 149.61(12) . . . . ?
Sc1A C3A C40A C39A 80.51(12) . . . . ?
C2A C3A C40A C41A -150.12(12) . . . . ?
C4A C3A C40A C41A -12.53(19) . . . . ?
Sc1A C3A C40A C41A -81.63(12) . . . . ?
C2A C3A C40A Sc1A -68.49(11) . . . . ?
C4A C3A C40A Sc1A 69.10(11) . . . . ?
C39A C40A C41A C42A -147.17(13) . . . . ?
C3A C40A C41A C42A 14.76(19) . . . . ?
Sc1A C40A C41A C42A -45.07(12) . . . . ?
C39A C40A C41A C36A 7.83(18) . . . . ?
C3A C40A C41A C36A 169.77(12) . . . . ?
Sc1A C40A C41A C36A 109.94(10) . . . . ?
C39A C40A C41A Sc2A -41.83(12) . . . . ?
C3A C40A C41A Sc2A 120.10(12) . . . . ?
Sc1A C40A C41A Sc2A 60.27(5) . . . . ?
C35A C36A C41A C40A -132.89(12) . . . . ?
C37A C36A C41A C40A 3.06(18) . . . . ?
Sc2A C36A C41A C40A -61.36(12) . . . . ?
C35A C36A C41A C42A 22.58(17) . . . . ?
C37A C36A C41A C42A 158.53(13) . . . . ?
Sc2A C36A C41A C42A 94.12(12) . . . . ?
C35A C36A C41A Sc2A -71.53(10) . . . . ?
C37A C36A C41A Sc2A 64.41(10) . . . . ?
C40A C41A C42A C43A -4.4(2) . . . . ?
C36A C41A C42A C43A -160.05(12) . . . . ?
Sc2A C41A C42A C43A -96.16(13) . . . . ?
C40A C41A C42A C46A 133.57(14) . . . . ?
C36A C41A C42A C46A -22.1(2) . . . . ?
Sc2A C41A C42A C46A 41.83(16) . . . . ?
C46A C42A C43A C44A -7.31(16) . . . . ?
C41A C42A C43A C44A 135.26(13) . . . . ?
C46A C42A C43A C4A -150.96(13) . . . . ?
C41A C42A C43A C4A -8.4(2) . . . . ?
C46A C42A C43A Sc1A -90.77(12) . . . . ?
C41A C42A C43A Sc1A 51.80(14) . . . . ?
C5A C4A C43A C44A 8.05(15) . . . . ?
C3A C4A C43A C44A -128.59(11) . . . . ?
Sc1A C4A C43A C44A -58.55(10) . . . . ?
C5A C4A C43A C42A 147.41(12) . . . . ?
C3A C4A C43A C42A 10.77(17) . . . . ?
Sc1A C4A C43A C42A 80.81(12) . . . . ?
C5A C4A C43A Sc1A 66.60(10) . . . . ?
C3A C4A C43A Sc1A -70.05(11) . . . . ?
C42A C43A C44A C45A 6.17(14) . . . . ?
C4A C43A C44A C45A 149.76(11) . . . . ?
Sc1A C43A C44A C45A 100.99(10) . . . . ?
C42A C43A C44A C56A -137.73(11) . . . . ?
C4A C43A C44A C56A 5.85(15) . . . . ?
Sc1A C43A C44A C56A -42.91(9) . . . . ?
C43A C44A C45A C46A -2.66(16) . . . . ?
C56A C44A C45A C46A 140.68(12) . . . . ?
C43A C44A C45A C50A -145.21(14) . . . . ?
C56A C44A C45A C50A -1.9(2) . . . . ?
C43A C42A C46A C45A 5.62(18) . . . . ?
C41A C42A C46A C45A -136.99(15) . . . . ?
C43A C42A C46A C47A 147.99(13) . . . . ?
C41A C42A C46A C47A 5.4(2) . . . . ?
C44A C45A C46A C42A -1.84(19) . . . . ?
C50A C45A C46A C42A 140.73(16) . . . . ?
C44A C45A C46A C47A -144.06(13) . . . . ?
C50A C45A C46A C47A -1.5(2) . . . . ?
C36A C35A C47A C46A -10.50(18) . . . . ?
C34A C35A C47A C46A -149.81(13) . . . . ?
Sc2A C35A C47A C46A -80.88(12) . . . . ?
C36A C35A C47A C48A 148.61(12) . . . . ?
C34A C35A C47A C48A 9.30(18) . . . . ?
Sc2A C35A C47A C48A 78.23(12) . . . . ?
C42A C46A C47A C35A 11.2(2) . . . . ?
C45A C46A C47A C35A 148.92(14) . . . . ?
C42A C46A C47A C48A -148.00(14) . . . . ?
C45A C46A C47A C48A -10.3(2) . . . . ?
C27A C28A C48A C49A -5.83(17) . . . . ?
C29A C28A C48A C49A 137.77(14) . . . . ?
C27A C28A C48A C47A -148.67(13) . . . . ?
C29A C28A C48A C47A -5.1(2) . . . . ?
C35A C47A C48A C28A -10.28(19) . . . . ?
C46A C47A C48A C28A 148.93(14) . . . . ?
C35A C47A C48A C49A -148.63(14) . . . . ?
C46A C47A C48A C49A 10.6(2) . . . . ?
C28A C48A C49A C54A 2.08(18) . . . . ?
C47A C48A C49A C54A 144.90(14) . . . . ?
C28A C48A C49A C50A -141.89(16) . . . . ?
C47A C48A C49A C50A 0.9(2) . . . . ?
C54A C49A C50A C45A -152.23(17) . . . . ?
C48A C49A C50A C45A -12.7(3) . . . . ?
C54A C49A C50A C51A 4.6(3) . . . . ?
C48A C49A C50A C51A 144.17(17) . . . . ?
C44A C45A C50A C49A 151.03(15) . . . . ?
C46A C45A C50A C49A 13.0(3) . . . . ?
C44A C45A C50A C51A -5.8(2) . . . . ?
C46A C45A C50A C51A -143.89(17) . . . . ?
C49A C50A C51A C52A -7.8(3) . . . . ?
C45A C50A C51A C52A 149.06(17) . . . . ?
C49A C50A C51A C55A -148.29(17) . . . . ?
C45A C50A C51A C55A 8.5(3) . . . . ?
C55A C51A C52A C14A 4.5(2) . . . . ?
C50A C51A C52A C14A -140.31(17) . . . . ?
C55A C51A C52A C53A 148.82(15) . . . . ?
C50A C51A C52A C53A 4.0(3) . . . . ?
C13A C14A C52A C51A -2.5(2) . . . . ?
C15A C14A C52A C51A 140.01(15) . . . . ?
C13A C14A C52A C53A -146.77(16) . . . . ?
C15A C14A C52A C53A -4.2(2) . . . . ?
C22A C21A C53A C54A -0.03(19) . . . . ?
C20A C21A C53A C54A -137.12(14) . . . . ?
Sc3A C21A C53A C54A -68.00(13) . . . . ?
C22A C21A C53A C52A 155.55(13) . . . . ?
C20A C21A C53A C52A 18.46(19) . . . . ?
Sc3A C21A C53A C52A 87.58(13) . . . . ?
C22A C21A C53A Sc3A 67.97(11) . . . . ?
C20A C21A C53A Sc3A -69.12(12) . . . . ?
C51A C52A C53A C54A 2.9(2) . . . . ?
C14A C52A C53A C54A 142.82(16) . . . . ?
C51A C52A C53A C21A -152.80(15) . . . . ?
C14A C52A C53A C21A -12.9(2) . . . . ?
C51A C52A C53A Sc3A -88.60(16) . . . . ?
C14A C52A C53A Sc3A 51.31(17) . . . . ?
C28A C27A C54A C49A -6.12(18) . . . . ?
C26A C27A C54A C49A -149.86(14) . . . . ?
Sc3A C27A C54A C49A -102.07(13) . . . . ?
C28A C27A C54A C53A 138.30(14) . . . . ?
C26A C27A C54A C53A -5.4(2) . . . . ?
Sc3A C27A C54A C53A 42.35(13) . . . . ?
C28A C27A C54A Sc3A 95.95(11) . . . . ?
C26A C27A C54A Sc3A -47.79(11) . . . . ?
C48A C49A C54A C27A 2.48(19) . . . . ?
C50A C49A C54A C27A 146.43(16) . . . . ?
C48A C49A C54A C53A -141.69(15) . . . . ?
C50A C49A C54A C53A 2.3(2) . . . . ?
C48A C49A C54A Sc3A -73.25(13) . . . . ?
C50A C49A C54A Sc3A 70.70(16) . . . . ?
C21A C53A C54A C27A 9.6(2) . . . . ?
C52A C53A C54A C27A -145.86(15) . . . . ?
Sc3A C53A C54A C27A -45.73(14) . . . . ?
C21A C53A C54A C49A 149.42(15) . . . . ?
C52A C53A C54A C49A -6.1(2) . . . . ?
Sc3A C53A C54A C49A 94.06(15) . . . . ?
C21A C53A C54A Sc3A 55.36(11) . . . . ?
C52A C53A C54A Sc3A -100.13(13) . . . . ?
C52A C51A C55A C13A -4.8(2) . . . . ?
C50A C51A C55A C13A 140.03(17) . . . . ?
C52A C51A C55A C56A -148.36(15) . . . . ?
C50A C51A C55A C56A -3.5(2) . . . . ?
C14A C13A C55A C51A 3.2(2) . . . . ?
C12A C13A C55A C51A -139.91(15) . . . . ?
C14A C13A C55A C56A 146.83(14) . . . . ?
C12A C13A C55A C56A 3.7(2) . . . . ?
C5A C6A C56A C44A -0.40(15) . . . . ?
C7A C6A C56A C44A 137.85(10) . . . . ?
Sc1A C6A C56A C44A 67.31(10) . . . . ?
C5A C6A C56A C55A -156.24(11) . . . . ?
C7A C6A C56A C55A -17.99(16) . . . . ?
Sc1A C6A C56A C55A -88.54(11) . . . . ?
C5A C6A C56A Sc1A -67.70(9) . . . . ?
C7A C6A C56A Sc1A 70.55(9) . . . . ?
C43A C44A C56A C6A -9.70(15) . . . . ?
C45A C44A C56A C6A -148.80(11) . . . . ?
C43A C44A C56A C55A 145.99(11) . . . . ?
C45A C44A C56A C55A 6.89(17) . . . . ?
C43A C44A C56A Sc1A 45.07(10) . . . . ?
C45A C44A C56A Sc1A -94.03(11) . . . . ?
C51A C55A C56A C6A 151.86(13) . . . . ?
C13A C55A C56A C6A 12.7(2) . . . . ?
C51A C55A C56A C44A -4.2(2) . . . . ?
C13A C55A C56A C44A -143.28(14) . . . . ?
C51A C55A C56A Sc1A 87.57(15) . . . . ?
C13A C55A C56A Sc1A -51.56(16) . . . . ?
C3A C2A C57A C58A 128.68(12) . . . . ?
C1A C2A C57A C58A -8.20(15) . . . . ?
Sc1A C2A C57A C58A 58.36(11) . . . . ?
C3A C2A C57A C61A -10.39(17) . . . . ?
C1A C2A C57A C61A -147.26(12) . . . . ?
Sc1A C2A C57A C61A -80.71(12) . . . . ?
C3A C2A C57A Sc1A 70.32(10) . . . . ?
C1A C2A C57A Sc1A -66.56(10) . . . . ?
C61A C57A C58A C59A -5.75(16) . . . . ?
C2A C57A C58A C59A -149.06(12) . . . . ?
Sc1A C57A C58A C59A -100.28(12) . . . . ?
C61A C57A C58A C9A 137.72(12) . . . . ?
C2A C57A C58A C9A -5.59(17) . . . . ?
Sc1A C57A C58A C9A 43.18(11) . . . . ?
C8A C9A C58A C57A 9.56(17) . . . . ?
C10A C9A C58A C57A -145.77(12) . . . . ?
Sc1A C9A C58A C57A -45.19(11) . . . . ?
C8A C9A C58A C59A 148.35(12) . . . . ?
C10A C9A C58A C59A -6.99(19) . . . . ?
Sc1A C9A C58A C59A 93.59(13) . . . . ?
C57A C58A C59A C60A 1.92(18) . . . . ?
C9A C58A C59A C60A -141.34(14) . . . . ?
C57A C58A C59A C69A 145.72(14) . . . . ?
C9A C58A C59A C69A 2.5(2) . . . . ?
C58A C59A C60A C61A 2.63(19) . . . . ?
C69A C59A C60A C61A -141.15(16) . . . . ?
C58A C59A C60A C63A 145.01(15) . . . . ?
C69A C59A C60A C63A 1.2(2) . . . . ?
C59A C60A C61A C57A -6.14(18) . . . . ?
C63A C60A C61A C57A -148.58(14) . . . . ?
C59A C60A C61A C39A 136.10(15) . . . . ?
C63A C60A C61A C39A -6.3(2) . . . . ?
C58A C57A C61A C60A 7.38(17) . . . . ?
C2A C57A C61A C60A 150.77(13) . . . . ?
Sc1A C57A C61A C60A 90.51(13) . . . . ?
C58A C57A C61A C39A -134.80(14) . . . . ?
C2A C57A C61A C39A 8.6(2) . . . . ?
Sc1A C57A C61A C39A -51.66(14) . . . . ?
C40A C39A C61A C60A -134.04(15) . . . . ?
C38A C39A C61A C60A 22.9(2) . . . . ?
Sc2A C39A C61A C60A -41.18(16) . . . . ?
C40A C39A C61A C57A 3.5(2) . . . . ?
C38A C39A C61A C57A 160.43(12) . . . . ?
Sc2A C39A C61A C57A 96.38(13) . . . . ?
C37A C38A C62A C32A 4.55(15) . . . . ?
C39A C38A C62A C32A -136.60(11) . . . . ?
Sc2A C38A C62A C32A -57.78(10) . . . . ?
C37A C38A C62A C63A 147.57(13) . . . . ?
C39A C38A C62A C63A 6.41(17) . . . . ?
Sc2A C38A C62A C63A 85.23(12) . . . . ?
C37A C38A C62A Sc2A 62.34(9) . . . . ?
C39A C38A C62A Sc2A -78.82(10) . . . . ?
C33A C32A C62A C38A -4.36(15) . . . . ?
C31A C32A C62A C38A 136.29(11) . . . . ?
Sc2A C32A C62A C38A 58.45(10) . . . . ?
C33A C32A C62A C63A -147.28(12) . . . . ?
C31A C32A C62A C63A -6.63(18) . . . . ?
Sc2A C32A C62A C63A -84.47(12) . . . . ?
C33A C32A C62A Sc2A -62.81(9) . . . . ?
C31A C32A C62A Sc2A 77.84(11) . . . . ?
C38A C62A C63A C64A -148.09(13) . . . . ?
C32A C62A C63A C64A -9.4(2) . . . . ?
Sc2A C62A C63A C64A -78.10(14) . . . . ?
C38A C62A C63A C60A 10.4(2) . . . . ?
C32A C62A C63A C60A 149.13(14) . . . . ?
Sc2A C62A C63A C60A 80.43(15) . . . . ?
C61A C60A C63A C62A -10.6(2) . . . . ?
C59A C60A C63A C62A -148.45(15) . . . . ?
C61A C60A C63A C64A 148.06(16) . . . . ?
C59A C60A C63A C64A 10.2(2) . . . . ?
C62A C63A C64A C65A 10.0(2) . . . . ?
C60A C63A C64A C65A -148.65(15) . . . . ?
C62A C63A C64A C68A 149.00(15) . . . . ?
C60A C63A C64A C68A -9.6(2) . . . . ?
C68A C64A C65A C66A 5.78(16) . . . . ?
C63A C64A C65A C66A 149.31(13) . . . . ?
C68A C64A C65A C31A -137.85(13) . . . . ?
C63A C64A C65A C31A 5.7(2) . . . . ?
C32A C31A C65A C66A -160.22(11) . . . . ?
C30A C31A C65A C66A -4.00(17) . . . . ?
Sc2A C31A C65A C66A -96.02(11) . . . . ?
C32A C31A C65A C64A -21.31(18) . . . . ?
C30A C31A C65A C64A 134.91(12) . . . . ?
Sc2A C31A C65A C64A 42.89(14) . . . . ?
C64A C65A C66A C67A -7.55(14) . . . . ?
C31A C65A C66A C67A 135.87(11) . . . . ?
C64A C65A C66A C24A -150.64(11) . . . . ?
C31A C65A C66A C24A -7.22(17) . . . . ?
C64A C65A C66A Sc3A -90.32(11) . . . . ?
C31A C65A C66A Sc3A 53.10(12) . . . . ?
C25A C24A C66A C67A -128.04(11) . . . . ?
C23A C24A C66A C67A 8.25(17) . . . . ?
Sc3A C24A C66A C67A -56.71(11) . . . . ?
C25A C24A C66A C65A 10.67(15) . . . . ?
C23A C24A C66A C65A 146.95(12) . . . . ?
Sc3A C24A C66A C65A 82.00(10) . . . . ?
C25A C24A C66A Sc3A -71.33(9) . . . . ?
C23A C24A C66A Sc3A 64.96(10) . . . . ?
C65A C66A C67A C68A 6.42(14) . . . . ?
C24A C66A C67A C68A 149.46(12) . . . . ?
Sc3A C66A C67A C68A 102.10(10) . . . . ?
C65A C66A C67A C18A -136.92(12) . . . . ?
C24A C66A C67A C18A 6.11(17) . . . . ?
Sc3A C66A C67A C18A -41.24(11) . . . . ?
C19A C18A C67A C66A -11.10(18) . . . . ?
C17A C18A C67A C66A 146.58(13) . . . . ?
Sc3A C18A C67A C66A 44.73(11) . . . . ?
C19A C18A C67A C68A -149.83(14) . . . . ?
C17A C18A C67A C68A 7.86(19) . . . . ?
Sc3A C18A C67A C68A -94.00(12) . . . . ?
C65A C64A C68A C67A -1.84(17) . . . . ?
C63A C64A C68A C67A -145.23(14) . . . . ?
C65A C64A C68A C69A 141.05(15) . . . . ?
C63A C64A C68A C69A -2.3(2) . . . . ?
C66A C67A C68A C64A -2.82(16) . . . . ?
C18A C67A C68A C64A 140.38(13) . . . . ?
C66A C67A C68A C69A -145.62(14) . . . . ?
C18A C67A C68A C69A -2.4(2) . . . . ?
C58A C59A C69A C68A -152.57(16) . . . . ?
C60A C59A C69A C68A -13.2(2) . . . . ?
C58A C59A C69A C70A 5.7(2) . . . . ?
C60A C59A C69A C70A 145.15(16) . . . . ?
C64A C68A C69A C59A 13.7(2) . . . . ?
C67A C68A C69A C59A 152.07(15) . . . . ?
C64A C68A C69A C70A -144.60(16) . . . . ?
C67A C68A C69A C70A -6.2(2) . . . . ?
C11A C10A C70A C17A 4.80(19) . . . . ?
C9A C10A C70A C17A 148.57(14) . . . . ?
C11A C10A C70A C69A -138.87(16) . . . . ?
C9A C10A C70A C69A 4.9(2) . . . . ?
C16A C17A C70A C10A -4.67(19) . . . . ?
C18A C17A C70A C10A -147.69(15) . . . . ?
C16A C17A C70A C69A 138.93(16) . . . . ?
C18A C17A C70A C69A -4.1(2) . . . . ?
C59A C69A C70A C10A -9.4(2) . . . . ?
C68A C69A C70A C10A 148.78(16) . . . . ?
C59A C69A C70A C17A -148.68(16) . . . . ?
C68A C69A C70A C17A 9.5(2) . . . . ?
C5B C1B C2B C3B 0.68(12) . . . . ?
C8B C1B C2B C3B -123.37(11) . . . . ?
Sc1B C1B C2B C3B -64.10(11) . . . . ?
C5B C1B C2B C57B 142.06(10) . . . . ?
C8B C1B C2B C57B 18.02(14) . . . . ?
Sc1B C1B C2B C57B 77.28(12) . . . . ?
C5B C1B C2B Sc1B 64.78(11) . . . . ?
C8B C1B C2B Sc1B -59.26(12) . . . . ?
C1B C2B C3B C4B -1.25(13) . . . . ?
C57B C2B C3B C4B -142.23(10) . . . . ?
Sc1B C2B C3B C4B -62.98(11) . . . . ?
C1B C2B C3B C40B 140.96(11) . . . . ?
C57B C2B C3B C40B -0.02(17) . . . . ?
Sc1B C2B C3B C40B 79.23(13) . . . . ?
C1B C2B C3B Sc1B 61.73(11) . . . . ?
C57B C2B C3B Sc1B -79.25(12) . . . . ?
C2B C3B C4B C5B 1.35(13) . . . . ?
C40B C3B C4B C5B -140.91(11) . . . . ?
Sc1B C3B C4B C5B -62.91(11) . . . . ?
C2B C3B C4B C43B 142.07(11) . . . . ?
C40B C3B C4B C43B -0.18(17) . . . . ?
Sc1B C3B C4B C43B 77.82(12) . . . . ?
C2B C3B C4B Sc1B 64.25(11) . . . . ?
C40B C3B C4B Sc1B -78.00(14) . . . . ?
C8B C1B C5B C6B 0.30(11) . . . . ?
C2B C1B C5B C6B -130.43(10) . . . . ?
Sc1B C1B C5B C6B -62.56(11) . . . . ?
C8B C1B C5B C4B 130.89(9) . . . . ?
C2B C1B C5B C4B 0.16(12) . . . . ?
Sc1B C1B C5B C4B 68.02(12) . . . . ?
C8B C1B C5B Sc1B 62.86(11) . . . . ?
C2B C1B C5B Sc1B -67.86(12) . . . . ?
C3B C4B C5B C1B -0.94(12) . . . . ?
C43B C4B C5B C1B -142.12(10) . . . . ?
Sc1B C4B C5B C1B -67.14(12) . . . . ?
C3B C4B C5B C6B 123.01(11) . . . . ?
C43B C4B C5B C6B -18.17(15) . . . . ?
Sc1B C4B C5B C6B 56.81(13) . . . . ?
C3B C4B C5B Sc1B 66.20(12) . . . . ?
C43B C4B C5B Sc1B -74.98(13) . . . . ?
C1B C5B C6B C7B -4.58(11) . . . . ?
C4B C5B C6B C7B -128.54(10) . . . . ?
Sc1B C5B C6B C7B -69.38(11) . . . . ?
C1B C5B C6B C56B 138.33(10) . . . . ?
C4B C5B C6B C56B 14.38(15) . . . . ?
Sc1B C5B C6B C56B 73.54(13) . . . . ?
C1B C5B C6B Sc1B 64.80(11) . . . . ?
C4B C5B C6B Sc1B -59.16(12) . . . . ?
C5B C6B C7B C8B 7.11(11) . . . . ?
C56B C6B C7B C8B -135.54(10) . . . . ?
Sc1B C6B C7B C8B -60.83(11) . . . . ?
C5B C6B C7B C12B 149.40(10) . . . . ?
C56B C6B C7B C12B 6.74(15) . . . . ?
Sc1B C6B C7B C12B 81.46(12) . . . . ?
C5B C6B C7B Sc1B 67.94(11) . . . . ?
C56B C6B C7B Sc1B -74.72(12) . . . . ?
C5B C1B C8B C7B 4.10(11) . . . . ?
C2B C1B C8B C7B 128.05(10) . . . . ?
Sc1B C1B C8B C7B 66.67(11) . . . . ?
C5B C1B C8B C9B -137.96(10) . . . . ?
C2B C1B C8B C9B -14.01(14) . . . . ?
Sc1B C1B C8B C9B -75.39(13) . . . . ?
C5B C1B C8B Sc1B -62.57(12) . . . . ?
C2B C1B C8B Sc1B 61.37(13) . . . . ?
C6B C7B C8B C1B -6.92(11) . . . . ?
C12B C7B C8B C1B -149.16(10) . . . . ?
Sc1B C7B C8B C1B -66.18(10) . . . . ?
C6B C7B C8B C9B 134.98(10) . . . . ?
C12B C7B C8B C9B -7.25(15) . . . . ?
Sc1B C7B C8B C9B 75.73(11) . . . . ?
C6B C7B C8B Sc1B 59.25(10) . . . . ?
C12B C7B C8B Sc1B -82.98(12) . . . . ?
C1B C8B C9B C58B 0.23(15) . . . . ?
C7B C8B C9B C58B -137.20(11) . . . . ?
Sc1B C8B C9B C58B -68.09(13) . . . . ?
C1B C8B C9B C10B 155.82(11) . . . . ?
C7B C8B C9B C10B 18.39(15) . . . . ?
Sc1B C8B C9B C10B 87.49(13) . . . . ?
C1B C8B C9B Sc1B 68.32(12) . . . . ?
C7B C8B C9B Sc1B -69.10(12) . . . . ?
C8B C9B C10B C70B -152.29(13) . . . . ?
C58B C9B C10B C70B 3.27(19) . . . . ?
Sc1B C9B C10B C70B -88.84(15) . . . . ?
C8B C9B C10B C11B -12.98(19) . . . . ?
C58B C9B C10B C11B 142.59(14) . . . . ?
Sc1B C9B C10B C11B 50.48(16) . . . . ?
C70B C10B C11B C16B -3.07(19) . . . . ?
C9B C10B C11B C16B -146.78(14) . . . . ?
C70B C10B C11B C12B 140.16(14) . . . . ?
C9B C10B C11B C12B -3.5(2) . . . . ?
C8B C7B C12B C11B -9.44(16) . . . . ?
C6B C7B C12B C11B -147.14(12) . . . . ?
Sc1B C7B C12B C11B -79.73(14) . . . . ?
C8B C7B C12B C13B 147.59(12) . . . . ?
C6B C7B C12B C13B 9.89(17) . . . . ?
Sc1B C7B C12B C13B 77.30(15) . . . . ?
C8B C7B C12B Sc1B 70.29(12) . . . . ?
C6B C7B C12B Sc1B -67.41(12) . . . . ?
C10B C11B C12B C7B 14.8(2) . . . . ?
C16B C11B C12B C7B 153.48(14) . . . . ?
C10B C11B C12B C13B -142.04(15) . . . . ?
C16B C11B C12B C13B -3.4(2) . . . . ?
C10B C11B C12B Sc1B -41.08(15) . . . . ?
C16B C11B C12B Sc1B 97.57(16) . . . . ?
C7B C12B C13B C55B -15.0(2) . . . . ?
C11B C12B C13B C55B 141.86(15) . . . . ?
Sc1B C12B C13B C55B 39.85(16) . . . . ?
C7B C12B C13B C14B -153.58(15) . . . . ?
C11B C12B C13B C14B 3.3(2) . . . . ?
Sc1B C12B C13B C14B -98.69(17) . . . . ?
C55B C13B C14B C52B -0.4(2) . . . . ?
C12B C13B C14B C52B 142.41(16) . . . . ?
C55B C13B C14B C15B -142.74(16) . . . . ?
C12B C13B C14B C15B 0.1(3) . . . . ?
C52B C14B C15B C16B -141.20(16) . . . . ?
C13B C14B C15B C16B -3.4(2) . . . . ?
C52B C14B C15B C20B 15.9(2) . . . . ?
C13B C14B C15B C20B 153.61(16) . . . . ?
C52B C14B C15B Sc3B -42.69(17) . . . . ?
C13B C14B C15B Sc3B 95.06(17) . . . . ?
C10B C11B C16B C17B 0.2(2) . . . . ?
C12B C11B C16B C17B -142.75(16) . . . . ?
C10B C11B C16B C15B 142.97(15) . . . . ?
C12B C11B C16B C15B 0.0(2) . . . . ?
C20B C15B C16B C11B -153.63(15) . . . . ?
C14B C15B C16B C11B 3.4(2) . . . . ?
Sc3B C15B C16B C11B -100.49(16) . . . . ?
C20B C15B C16B C17B -15.3(2) . . . . ?
C14B C15B C16B C17B 141.72(15) . . . . ?
Sc3B C15B C16B C17B 37.85(16) . . . . ?
C11B C16B C17B C70B 2.76(19) . . . . ?
C15B C16B C17B C70B -140.23(15) . . . . ?
C11B C16B C17B C18B 145.83(15) . . . . ?
C15B C16B C17B C18B 2.8(2) . . . . ?
C70B C17B C18B C67B -4.6(2) . . . . ?
C16B C17B C18B C67B -143.13(14) . . . . ?
C70B C17B C18B C19B 153.28(15) . . . . ?
C16B C17B C18B C19B 14.7(2) . . . . ?
C70B C17B C18B Sc3B 86.30(16) . . . . ?
C16B C17B C18B Sc3B -52.24(17) . . . . ?
C67B C18B C19B C23B 1.69(19) . . . . ?
C17B C18B C19B C23B -156.14(13) . . . . ?
Sc3B C18B C19B C23B -67.18(13) . . . . ?
C67B C18B C19B C20B 137.99(13) . . . . ?
C17B C18B C19B C20B -19.84(19) . . . . ?
Sc3B C18B C19B C20B 69.11(13) . . . . ?
C67B C18B C19B Sc3B 68.87(13) . . . . ?
C17B C18B C19B Sc3B -88.95(14) . . . . ?
C23B C19B C20B C21B 6.95(17) . . . . ?
C18B C19B C20B C21B -133.93(13) . . . . ?
Sc3B C19B C20B C21B -64.69(14) . . . . ?
C23B C19B C20B C15B 148.35(13) . . . . ?
C18B C19B C20B C15B 7.46(19) . . . . ?
Sc3B C19B C20B C15B 76.70(15) . . . . ?
C23B C19B C20B Sc3B 71.64(14) . . . . ?
C18B C19B C20B Sc3B -69.24(15) . . . . ?
C16B C15B C20B C21B 146.92(14) . . . . ?
C14B C15B C20B C21B -10.2(2) . . . . ?
Sc3B C15B C20B C21B 74.78(16) . . . . ?
C16B C15B C20B C19B 10.1(2) . . . . ?
C14B C15B C20B C19B -147.07(14) . . . . ?
Sc3B C15B C20B C19B -62.05(16) . . . . ?
C16B C15B C20B Sc3B 72.14(17) . . . . ?
C14B C15B C20B Sc3B -85.02(17) . . . . ?
C19B C20B C21B C22B -6.96(17) . . . . ?
C15B C20B C21B C22B -148.38(12) . . . . ?
Sc3B C20B C21B C22B -64.67(12) . . . . ?
C19B C20B C21B C53B 134.51(13) . . . . ?
C15B C20B C21B C53B -6.91(19) . . . . ?
Sc3B C20B C21B C53B 76.81(13) . . . . ?
C19B C20B C21B Sc3B 57.70(12) . . . . ?
C15B C20B C21B Sc3B -83.72(14) . . . . ?
C20B C21B C22B C23B 4.31(16) . . . . ?
C53B C21B C22B C23B -137.38(12) . . . . ?
Sc3B C21B C22B C23B -57.10(13) . . . . ?
C20B C21B C22B C26B 128.00(12) . . . . ?
C53B C21B C22B C26B -13.68(17) . . . . ?
Sc3B C21B C22B C26B 66.59(14) . . . . ?
C20B C21B C22B Sc3B 61.41(14) . . . . ?
C53B C21B C22B Sc3B -80.28(15) . . . . ?
C21B C22B C23B C19B 0.00(15) . . . . ?
C26B C22B C23B C19B -130.53(11) . . . . ?
Sc3B C22B C23B C19B -60.28(11) . . . . ?
C21B C22B C23B C24B 130.72(12) . . . . ?
C26B C22B C23B C24B 0.20(13) . . . . ?
Sc3B C22B C23B C24B 70.44(11) . . . . ?
C21B C22B C23B Sc3B 60.28(12) . . . . ?
C26B C22B C23B Sc3B -70.24(11) . . . . ?
C20B C19B C23B C22B -4.31(16) . . . . ?
C18B C19B C23B C22B 136.54(13) . . . . ?
Sc3B C19B C23B C22B 68.40(14) . . . . ?
C20B C19B C23B C24B -128.15(13) . . . . ?
C18B C19B C23B C24B 12.69(19) . . . . ?
Sc3B C19B C23B C24B -55.44(15) . . . . ?
C20B C19B C23B Sc3B -72.71(15) . . . . ?
C18B C19B C23B Sc3B 68.14(16) . . . . ?
C22B C23B C24B C25B -0.94(13) . . . . ?
C19B C23B C24B C25B 123.00(12) . . . . ?
Sc3B C23B C24B C25B 71.78(14) . . . . ?
C22B C23B C24B C66B -141.59(11) . . . . ?
C19B C23B C24B C66B -17.66(17) . . . . ?
Sc3B C23B C24B C66B -68.87(15) . . . . ?
C22B C23B C24B Sc3B -72.72(14) . . . . ?
C19B C23B C24B Sc3B 51.22(16) . . . . ?
C23B C24B C25B C26B 1.31(12) . . . . ?
C66B C24B C25B C26B 141.65(10) . . . . ?
Sc3B C24B C25B C26B 65.54(11) . . . . ?
C23B C24B C25B C30B -143.09(10) . . . . ?
C66B C24B C25B C30B -2.76(14) . . . . ?
Sc3B C24B C25B C30B -78.87(11) . . . . ?
C23B C24B C25B Sc3B -64.22(11) . . . . ?
C66B C24B C25B Sc3B 76.12(11) . . . . ?
C24B C25B C26B C22B -1.19(13) . . . . ?
C30B C25B C26B C22B 143.34(10) . . . . ?
Sc3B C25B C26B C22B 58.06(11) . . . . ?
C24B C25B C26B C27B -142.07(11) . . . . ?
C30B C25B C26B C27B 2.45(15) . . . . ?
Sc3B C25B C26B C27B -82.82(12) . . . . ?
C24B C25B C26B Sc3B -59.25(10) . . . . ?
C30B C25B C26B Sc3B 85.28(11) . . . . ?
C23B C22B C26B C25B 0.62(13) . . . . ?
C21B C22B C26B C25B -123.24(11) . . . . ?
Sc3B C22B C26B C25B -60.85(12) . . . . ?
C23B C22B C26B C27B 141.77(11) . . . . ?
C21B C22B C26B C27B 17.91(16) . . . . ?
Sc3B C22B C26B C27B 80.30(14) . . . . ?
C23B C22B C26B Sc3B 61.46(12) . . . . ?
C21B C22B C26B Sc3B -62.39(13) . . . . ?
C25B C26B C27B C54B 128.50(13) . . . . ?
C22B C26B C27B C54B -8.33(19) . . . . ?
Sc3B C26B C27B C54B 57.53(14) . . . . ?
C25B C26B C27B C28B -10.93(17) . . . . ?
C22B C26B C27B C28B -147.75(12) . . . . ?
Sc3B C26B C27B C28B -81.89(13) . . . . ?
C54B C27B C28B C48B 7.39(17) . . . . ?
C26B C27B C28B C48B 151.10(12) . . . . ?
C54B C27B C28B C29B -136.15(13) . . . . ?
C26B C27B C28B C29B 7.55(18) . . . . ?
C27B C28B C29B C30B 4.15(17) . . . . ?
C48B C28B C29B C30B -134.75(12) . . . . ?
C27B C28B C29B C34B 159.65(12) . . . . ?
C48B C28B C29B C34B 20.75(18) . . . . ?
C27B C28B C29B Sc2B 96.07(12) . . . . ?
C48B C28B C29B Sc2B -42.83(15) . . . . ?
C26B C25B C30B C29B 9.07(15) . . . . ?
C24B C25B C30B C29B 148.91(10) . . . . ?
Sc3B C25B C30B C29B 84.69(14) . . . . ?
C26B C25B C30B C31B -148.15(10) . . . . ?
C24B C25B C30B C31B -8.31(15) . . . . ?
Sc3B C25B C30B C31B -72.53(14) . . . . ?
C26B C25B C30B Sc2B -68.12(13) . . . . ?
C24B C25B C30B Sc2B 71.72(12) . . . . ?
Sc3B C25B C30B Sc2B 7.50(14) . . . . ?
C28B C29B C30B C25B -12.30(16) . . . . ?
C34B C29B C30B C25B -167.13(11) . . . . ?
Sc2B C29B C30B C25B -116.01(10) . . . . ?
C28B C29B C30B C31B 144.75(12) . . . . ?
C34B C29B C30B C31B -10.09(18) . . . . ?
Sc2B C29B C30B C31B 41.03(12) . . . . ?
C28B C29B C30B Sc2B 103.72(12) . . . . ?
C34B C29B C30B Sc2B -51.12(11) . . . . ?
C25B C30B C31B C65B 11.64(16) . . . . ?
C29B C30B C31B C65B -145.42(12) . . . . ?
Sc2B C30B C31B C65B -105.24(12) . . . . ?
C25B C30B C31B C32B 167.21(11) . . . . ?
C29B C30B C31B C32B 10.16(18) . . . . ?
Sc2B C30B C31B C32B 50.33(11) . . . . ?
C25B C30B C31B Sc2B 116.88(11) . . . . ?
C29B C30B C31B Sc2B -40.17(12) . . . . ?
C65B C31B C32B C62B 21.68(17) . . . . ?
C30B C31B C32B C62B -134.39(12) . . . . ?
Sc2B C31B C32B C62B -73.63(12) . . . . ?
C65B C31B C32B C33B 157.52(12) . . . . ?
C30B C31B C32B C33B 1.46(18) . . . . ?
Sc2B C31B C32B C33B 62.22(12) . . . . ?
C65B C31B C32B Sc2B 95.31(13) . . . . ?
C30B C31B C32B Sc2B -60.76(13) . . . . ?
C62B C32B C33B C37B 2.50(15) . . . . ?
C31B C32B C33B C37B -137.94(12) . . . . ?
Sc2B C32B C33B C37B -66.25(11) . . . . ?
C62B C32B C33B C34B 127.08(12) . . . . ?
C31B C32B C33B C34B -13.36(18) . . . . ?
Sc2B C32B C33B C34B 58.33(12) . . . . ?
C62B C32B C33B Sc2B 68.75(11) . . . . ?
C31B C32B C33B Sc2B -71.69(13) . . . . ?
C37B C33B C34B C35B -2.08(15) . . . . ?
C32B C33B C34B C35B -126.63(12) . . . . ?
Sc2B C33B C34B C35B -66.87(11) . . . . ?
C37B C33B C34B C29B 137.94(12) . . . . ?
C32B C33B C34B C29B 13.40(18) . . . . ?
Sc2B C33B C34B C29B 73.15(13) . . . . ?
C37B C33B C34B Sc2B 64.79(11) . . . . ?
C32B C33B C34B Sc2B -59.75(11) . . . . ?
C28B C29B C34B C35B -21.47(17) . . . . ?
C30B C29B C34B C35B 133.86(12) . . . . ?
Sc2B C29B C34B C35B 70.51(12) . . . . ?
C28B C29B C34B C33B -156.89(12) . . . . ?
C30B C29B C34B C33B -1.57(18) . . . . ?
Sc2B C29B C34B C33B -64.91(12) . . . . ?
C28B C29B C34B Sc2B -91.98(12) . . . . ?
C30B C29B C34B Sc2B 63.34(13) . . . . ?
C33B C34B C35B C36B 3.57(15) . . . . ?
C29B C34B C35B C36B -136.65(12) . . . . ?
Sc2B C34B C35B C36B -60.23(11) . . . . ?
C33B C34B C35B C47B 146.97(11) . . . . ?
C29B C34B C35B C47B 6.74(17) . . . . ?
Sc2B C34B C35B C47B 83.17(12) . . . . ?
C33B C34B C35B Sc2B 63.80(11) . . . . ?
C29B C34B C35B Sc2B -76.42(12) . . . . ?
C34B C35B C36B C37B -3.69(15) . . . . ?
C47B C35B C36B C37B -147.22(12) . . . . ?
Sc2B C35B C36B C37B -62.32(10) . . . . ?
C34B C35B C36B C41B 136.95(12) . . . . ?
C47B C35B C36B C41B -6.58(17) . . . . ?
Sc2B C35B C36B C41B 78.32(11) . . . . ?
C34B C35B C36B Sc2B 58.64(11) . . . . ?
C47B C35B C36B Sc2B -84.89(12) . . . . ?
C34B C33B C37B C38B -131.27(12) . . . . ?
C32B C33B C37B C38B 0.29(14) . . . . ?
Sc2B C33B C37B C38B -67.17(12) . . . . ?
C34B C33B C37B C36B -0.18(15) . . . . ?
C32B C33B C37B C36B 131.38(12) . . . . ?
Sc2B C33B C37B C36B 63.92(12) . . . . ?
C34B C33B C37B Sc2B -64.10(12) . . . . ?
C32B C33B C37B Sc2B 67.46(12) . . . . ?
C35B C36B C37B C33B 2.38(15) . . . . ?
C41B C36B C37B C33B -138.14(12) . . . . ?
Sc2B C36B C37B C33B -61.81(11) . . . . ?
C35B C36B C37B C38B 126.77(12) . . . . ?
C41B C36B C37B C38B -13.75(17) . . . . ?
Sc2B C36B C37B C38B 62.58(12) . . . . ?
C35B C36B C37B Sc2B 64.18(11) . . . . ?
C41B C36B C37B Sc2B -76.33(12) . . . . ?
C33B C37B C38B C62B -2.99(14) . . . . ?
C36B C37B C38B C62B -127.42(12) . . . . ?
Sc2B C37B C38B C62B -66.22(10) . . . . ?
C33B C37B C38B C39B 137.96(12) . . . . ?
C36B C37B C38B C39B 13.53(17) . . . . ?
Sc2B C37B C38B C39B 74.72(11) . . . . ?
C33B C37B C38B Sc2B 63.23(10) . . . . ?
C36B C37B C38B Sc2B -61.20(11) . . . . ?
C62B C38B C39B C40B 133.97(12) . . . . ?
C37B C38B C39B C40B -2.59(18) . . . . ?
Sc2B C38B C39B C40B 61.11(13) . . . . ?
C62B C38B C39B C61B -22.83(17) . . . . ?
C37B C38B C39B C61B -159.39(13) . . . . ?
Sc2B C38B C39B C61B -95.70(13) . . . . ?
C62B C38B C39B Sc2B 72.87(11) . . . . ?
C37B C38B C39B Sc2B -63.69(11) . . . . ?
C61B C39B C40B C3B -13.70(19) . . . . ?
C38B C39B C40B C3B -170.02(12) . . . . ?
Sc2B C39B C40B C3B -120.32(13) . . . . ?
C61B C39B C40B C41B 148.25(13) . . . . ?
C38B C39B C40B C41B -8.08(18) . . . . ?
Sc2B C39B C40B C41B 41.62(12) . . . . ?
C61B C39B C40B Sc1B 46.28(14) . . . . ?
C38B C39B C40B Sc1B -110.05(11) . . . . ?
Sc2B C39B C40B Sc1B -60.35(8) . . . . ?
C2B C3B C40B C39B 12.02(19) . . . . ?
C4B C3B C40B C39B 149.61(12) . . . . ?
Sc1B C3B C40B C39B 81.95(14) . . . . ?
C2B C3B C40B C41B -150.12(12) . . . . ?
C4B C3B C40B C41B -12.53(19) . . . . ?
Sc1B C3B C40B C41B -80.19(15) . . . . ?
C2B C3B C40B Sc1B -69.93(13) . . . . ?
C4B C3B C40B Sc1B 67.66(13) . . . . ?
C39B C40B C41B C42B -147.17(13) . . . . ?
C3B C40B C41B C42B 14.76(19) . . . . ?
Sc1B C40B C41B C42B -44.47(13) . . . . ?
C39B C40B C41B C36B 7.83(18) . . . . ?
C3B C40B C41B C36B 169.77(12) . . . . ?
Sc1B C40B C41B C36B 110.54(11) . . . . ?
C39B C40B C41B Sc2B -42.40(13) . . . . ?
C3B C40B C41B Sc2B 119.54(13) . . . . ?
Sc1B C40B C41B Sc2B 60.31(7) . . . . ?
C35B C36B C41B C40B -132.89(12) . . . . ?
C37B C36B C41B C40B 3.06(18) . . . . ?
Sc2B C36B C41B C40B -63.21(13) . . . . ?
C35B C36B C41B C42B 22.58(17) . . . . ?
C37B C36B C41B C42B 158.53(13) . . . . ?
Sc2B C36B C41B C42B 92.26(13) . . . . ?
C35B C36B C41B Sc2B -69.68(12) . . . . ?
C37B C36B C41B Sc2B 66.26(12) . . . . ?
C40B C41B C42B C43B -4.4(2) . . . . ?
C36B C41B C42B C43B -160.05(12) . . . . ?
Sc2B C41B C42B C43B -97.35(14) . . . . ?
C40B C41B C42B C46B 133.57(15) . . . . ?
C36B C41B C42B C46B -22.1(2) . . . . ?
Sc2B C41B C42B C46B 40.65(16) . . . . ?
C46B C42B C43B C44B -7.31(16) . . . . ?
C41B C42B C43B C44B 135.26(13) . . . . ?
C46B C42B C43B C4B -150.96(13) . . . . ?
C41B C42B C43B C4B -8.4(2) . . . . ?
C46B C42B C43B Sc1B -89.57(14) . . . . ?
C41B C42B C43B Sc1B 52.99(15) . . . . ?
C3B C4B C43B C44B -128.59(11) . . . . ?
C5B C4B C43B C44B 8.05(15) . . . . ?
Sc1B C4B C43B C44B -57.44(12) . . . . ?
C3B C4B C43B C42B 10.77(17) . . . . ?
C5B C4B C43B C42B 147.41(12) . . . . ?
Sc1B C4B C43B C42B 81.92(14) . . . . ?
C3B C4B C43B Sc1B -71.16(13) . . . . ?
C5B C4B C43B Sc1B 65.49(12) . . . . ?
C42B C43B C44B C45B 6.17(14) . . . . ?
C4B C43B C44B C45B 149.76(11) . . . . ?
Sc1B C43B C44B C45B 101.04(11) . . . . ?
C42B C43B C44B C56B -137.73(11) . . . . ?
C4B C43B C44B C56B 5.85(15) . . . . ?
Sc1B C43B C44B C56B -42.86(10) . . . . ?
C42B C43B C44B Sc1B -94.87(11) . . . . ?
C4B C43B C44B Sc1B 48.71(10) . . . . ?
C43B C44B C45B C46B -2.66(16) . . . . ?
C56B C44B C45B C46B 140.68(12) . . . . ?
Sc1B C44B C45B C46B 71.75(15) . . . . ?
C43B C44B C45B C50B -145.21(14) . . . . ?
C56B C44B C45B C50B -1.9(2) . . . . ?
Sc1B C44B C45B C50B -70.80(16) . . . . ?
C43B C42B C46B C45B 5.62(18) . . . . ?
C41B C42B C46B C45B -136.99(15) . . . . ?
C43B C42B C46B C47B 147.98(13) . . . . ?
C41B C42B C46B C47B 5.4(2) . . . . ?
C44B C45B C46B C42B -1.84(19) . . . . ?
C50B C45B C46B C42B 140.73(16) . . . . ?
C44B C45B C46B C47B -144.06(13) . . . . ?
C50B C45B C46B C47B -1.5(2) . . . . ?
C36B C35B C47B C46B -10.51(18) . . . . ?
C34B C35B C47B C46B -149.81(13) . . . . ?
Sc2B C35B C47B C46B -81.67(13) . . . . ?
C36B C35B C47B C48B 148.61(12) . . . . ?
C34B C35B C47B C48B 9.30(18) . . . . ?
Sc2B C35B C47B C48B 77.44(12) . . . . ?
C36B C35B C47B Sc2B 71.16(11) . . . . ?
C34B C35B C47B Sc2B -68.14(12) . . . . ?
C42B C46B C47B C35B 11.2(2) . . . . ?
C45B C46B C47B C35B 148.92(14) . . . . ?
C42B C46B C47B C48B -148.00(14) . . . . ?
C45B C46B C47B C48B -10.3(2) . . . . ?
C42B C46B C47B Sc2B -44.20(16) . . . . ?
C45B C46B C47B Sc2B 93.53(15) . . . . ?
C27B C28B C48B C49B -5.83(17) . . . . ?
C29B C28B C48B C49B 137.77(14) . . . . ?
C27B C28B C48B C47B -148.67(13) . . . . ?
C29B C28B C48B C47B -5.1(2) . . . . ?
C35B C47B C48B C28B -10.28(19) . . . . ?
C46B C47B C48B C28B 148.93(14) . . . . ?
Sc2B C47B C48B C28B 43.36(14) . . . . ?
C35B C47B C48B C49B -148.63(14) . . . . ?
C46B C47B C48B C49B 10.6(2) . . . . ?
Sc2B C47B C48B C49B -94.98(14) . . . . ?
C28B C48B C49B C54B 2.08(18) . . . . ?
C47B C48B C49B C54B 144.90(14) . . . . ?
C28B C48B C49B C50B -141.89(16) . . . . ?
C47B C48B C49B C50B 0.9(2) . . . . ?
C54B C49B C50B C45B -152.23(17) . . . . ?
C48B C49B C50B C45B -12.7(3) . . . . ?
C54B C49B C50B C51B 4.6(3) . . . . ?
C48B C49B C50B C51B 144.17(17) . . . . ?
C44B C45B C50B C49B 151.03(15) . . . . ?
C46B C45B C50B C49B 13.0(3) . . . . ?
C44B C45B C50B C51B -5.8(2) . . . . ?
C46B C45B C50B C51B -143.89(17) . . . . ?
C49B C50B C51B C52B -7.8(3) . . . . ?
C45B C50B C51B C52B 149.06(17) . . . . ?
C49B C50B C51B C55B -148.30(16) . . . . ?
C45B C50B C51B C55B 8.5(3) . . . . ?
C55B C51B C52B C14B 4.5(2) . . . . ?
C50B C51B C52B C14B -140.31(17) . . . . ?
C55B C51B C52B C53B 148.82(15) . . . . ?
C50B C51B C52B C53B 4.0(3) . . . . ?
C13B C14B C52B C51B -2.5(2) . . . . ?
C15B C14B C52B C51B 140.01(15) . . . . ?
C13B C14B C52B C53B -146.77(16) . . . . ?
C15B C14B C52B C53B -4.2(2) . . . . ?
C22B C21B C53B C54B -0.03(19) . . . . ?
C20B C21B C53B C54B -137.12(14) . . . . ?
Sc3B C21B C53B C54B -71.58(14) . . . . ?
C22B C21B C53B C52B 155.55(13) . . . . ?
C20B C21B C53B C52B 18.46(19) . . . . ?
Sc3B C21B C53B C52B 84.00(14) . . . . ?
C22B C21B C53B Sc3B 71.55(13) . . . . ?
C20B C21B C53B Sc3B -65.55(13) . . . . ?
C51B C52B C53B C54B 2.9(2) . . . . ?
C14B C52B C53B C54B 142.82(16) . . . . ?
C51B C52B C53B C21B -152.80(15) . . . . ?
C14B C52B C53B C21B -12.9(2) . . . . ?
C51B C52B C53B Sc3B -92.40(17) . . . . ?
C14B C52B C53B Sc3B 47.51(18) . . . . ?
C28B C27B C54B C49B -6.12(18) . . . . ?
C26B C27B C54B C49B -149.86(14) . . . . ?
C28B C27B C54B C53B 138.30(14) . . . . ?
C26B C27B C54B C53B -5.4(2) . . . . ?
C48B C49B C54B C27B 2.49(19) . . . . ?
C50B C49B C54B C27B 146.43(16) . . . . ?
C48B C49B C54B C53B -141.69(15) . . . . ?
C50B C49B C54B C53B 2.3(2) . . . . ?
C21B C53B C54B C27B 9.6(2) . . . . ?
C52B C53B C54B C27B -145.86(15) . . . . ?
Sc3B C53B C54B C27B -45.37(15) . . . . ?
C21B C53B C54B C49B 149.42(15) . . . . ?
C52B C53B C54B C49B -6.1(2) . . . . ?
Sc3B C53B C54B C49B 94.42(16) . . . . ?
C52B C51B C55B C13B -4.8(2) . . . . ?
C50B C51B C55B C13B 140.03(17) . . . . ?
C52B C51B C55B C56B -148.36(15) . . . . ?
C50B C51B C55B C56B -3.5(2) . . . . ?
C14B C13B C55B C51B 3.2(2) . . . . ?
C12B C13B C55B C51B -139.91(15) . . . . ?
C14B C13B C55B C56B 146.83(14) . . . . ?
C12B C13B C55B C56B 3.7(2) . . . . ?
C5B C6B C56B C44B -0.40(15) . . . . ?
C7B C6B C56B C44B 137.85(10) . . . . ?
Sc1B C6B C56B C44B 67.55(12) . . . . ?
C5B C6B C56B C55B -156.24(11) . . . . ?
C7B C6B C56B C55B -17.99(16) . . . . ?
Sc1B C6B C56B C55B -88.29(13) . . . . ?
C5B C6B C56B Sc1B -67.95(12) . . . . ?
C7B C6B C56B Sc1B 70.30(12) . . . . ?
C43B C44B C56B C6B -9.70(15) . . . . ?
C45B C44B C56B C6B -148.80(11) . . . . ?
Sc1B C44B C56B C6B -55.26(10) . . . . ?
C43B C44B C56B C55B 145.99(11) . . . . ?
C45B C44B C56B C55B 6.88(17) . . . . ?
Sc1B C44B C56B C55B 100.43(12) . . . . ?
C43B C44B C56B Sc1B 45.56(11) . . . . ?
C45B C44B C56B Sc1B -93.54(12) . . . . ?
C51B C55B C56B C6B 151.86(13) . . . . ?
C13B C55B C56B C6B 12.7(2) . . . . ?
C51B C55B C56B C44B -4.2(2) . . . . ?
C13B C55B C56B C44B -143.28(14) . . . . ?
C51B C55B C56B Sc1B 87.26(16) . . . . ?
C13B C55B C56B Sc1B -51.87(17) . . . . ?
C3B C2B C57B C58B 128.68(12) . . . . ?
C1B C2B C57B C58B -8.20(15) . . . . ?
Sc1B C2B C57B C58B 58.19(13) . . . . ?
C3B C2B C57B C61B -10.39(17) . . . . ?
C1B C2B C57B C61B -147.26(12) . . . . ?
Sc1B C2B C57B C61B -80.88(14) . . . . ?
C3B C2B C57B Sc1B 70.49(12) . . . . ?
C1B C2B C57B Sc1B -66.38(11) . . . . ?
C61B C57B C58B C59B -5.75(16) . . . . ?
C2B C57B C58B C59B -149.06(12) . . . . ?
Sc1B C57B C58B C59B -100.67(13) . . . . ?
C61B C57B C58B C9B 137.71(12) . . . . ?
C2B C57B C58B C9B -5.59(17) . . . . ?
Sc1B C57B C58B C9B 42.80(12) . . . . ?
C8B C9B C58B C57B 9.56(17) . . . . ?
C10B C9B C58B C57B -145.77(12) . . . . ?
Sc1B C9B C58B C57B -45.26(12) . . . . ?
C8B C9B C58B C59B 148.35(12) . . . . ?
C10B C9B C58B C59B -6.99(19) . . . . ?
Sc1B C9B C58B C59B 93.53(14) . . . . ?
C57B C58B C59B C60B 1.92(18) . . . . ?
C9B C58B C59B C60B -141.34(14) . . . . ?
C57B C58B C59B C69B 145.72(14) . . . . ?
C9B C58B C59B C69B 2.5(2) . . . . ?
C58B C59B C60B C61B 2.63(19) . . . . ?
C69B C59B C60B C61B -141.15(16) . . . . ?
C58B C59B C60B C63B 145.01(15) . . . . ?
C69B C59B C60B C63B 1.2(2) . . . . ?
C59B C60B C61B C57B -6.14(18) . . . . ?
C63B C60B C61B C57B -148.58(14) . . . . ?
C59B C60B C61B C39B 136.10(15) . . . . ?
C63B C60B C61B C39B -6.3(2) . . . . ?
C58B C57B C61B C60B 7.38(17) . . . . ?
C2B C57B C61B C60B 150.77(13) . . . . ?
Sc1B C57B C61B C60B 90.76(14) . . . . ?
C58B C57B C61B C39B -134.80(14) . . . . ?
C2B C57B C61B C39B 8.6(2) . . . . ?
Sc1B C57B C61B C39B -51.42(15) . . . . ?
C40B C39B C61B C60B -134.04(15) . . . . ?
C38B C39B C61B C60B 22.9(2) . . . . ?
Sc2B C39B C61B C60B -41.81(16) . . . . ?
C40B C39B C61B C57B 3.5(2) . . . . ?
C38B C39B C61B C57B 160.43(12) . . . . ?
Sc2B C39B C61B C57B 95.75(14) . . . . ?
C37B C38B C62B C32B 4.55(15) . . . . ?
C39B C38B C62B C32B -136.60(11) . . . . ?
Sc2B C38B C62B C32B -56.64(11) . . . . ?
C37B C38B C62B C63B 147.57(13) . . . . ?
C39B C38B C62B C63B 6.41(17) . . . . ?
Sc2B C38B C62B C63B 86.38(13) . . . . ?
C37B C38B C62B Sc2B 61.19(10) . . . . ?
C39B C38B C62B Sc2B -79.96(11) . . . . ?
C33B C32B C62B C38B -4.36(15) . . . . ?
C31B C32B C62B C38B 136.29(11) . . . . ?
Sc2B C32B C62B C38B 58.04(11) . . . . ?
C33B C32B C62B C63B -147.28(12) . . . . ?
C31B C32B C62B C63B -6.63(18) . . . . ?
Sc2B C32B C62B C63B -84.88(13) . . . . ?
C33B C32B C62B Sc2B -62.40(10) . . . . ?
C31B C32B C62B Sc2B 78.24(12) . . . . ?
C38B C62B C63B C64B -148.09(13) . . . . ?
C32B C62B C63B C64B -9.4(2) . . . . ?
Sc2B C62B C63B C64B -77.39(15) . . . . ?
C38B C62B C63B C60B 10.4(2) . . . . ?
C32B C62B C63B C60B 149.14(14) . . . . ?
Sc2B C62B C63B C60B 81.14(15) . . . . ?
C61B C60B C63B C62B -10.6(2) . . . . ?
C59B C60B C63B C62B -148.45(15) . . . . ?
C61B C60B C63B C64B 148.06(16) . . . . ?
C59B C60B C63B C64B 10.2(2) . . . . ?
C62B C63B C64B C65B 10.0(2) . . . . ?
C60B C63B C64B C65B -148.65(15) . . . . ?
C62B C63B C64B C68B 149.00(15) . . . . ?
C60B C63B C64B C68B -9.6(2) . . . . ?
C68B C64B C65B C66B 5.78(16) . . . . ?
C63B C64B C65B C66B 149.31(13) . . . . ?
C68B C64B C65B C31B -137.85(14) . . . . ?
C63B C64B C65B C31B 5.7(2) . . . . ?
C32B C31B C65B C66B -160.22(11) . . . . ?
C30B C31B C65B C66B -4.00(17) . . . . ?
Sc2B C31B C65B C66B -94.67(12) . . . . ?
C32B C31B C65B C64B -21.32(18) . . . . ?
C30B C31B C65B C64B 134.91(12) . . . . ?
Sc2B C31B C65B C64B 44.24(15) . . . . ?
C64B C65B C66B C67B -7.55(14) . . . . ?
C31B C65B C66B C67B 135.87(11) . . . . ?
C64B C65B C66B C24B -150.64(11) . . . . ?
C31B C65B C66B C24B -7.22(17) . . . . ?
C64B C65B C66B Sc3B -85.37(14) . . . . ?
C31B C65B C66B Sc3B 58.06(14) . . . . ?
C25B C24B C66B C67B -128.04(11) . . . . ?
C23B C24B C66B C67B 8.25(17) . . . . ?
Sc3B C24B C66B C67B -53.26(13) . . . . ?
C25B C24B C66B C65B 10.67(15) . . . . ?
C23B C24B C66B C65B 146.95(12) . . . . ?
Sc3B C24B C66B C65B 85.44(12) . . . . ?
C25B C24B C66B Sc3B -74.77(11) . . . . ?
C23B C24B C66B Sc3B 61.51(12) . . . . ?
C65B C66B C67B C68B 6.42(14) . . . . ?
C24B C66B C67B C68B 149.46(12) . . . . ?
Sc3B C66B C67B C68B 101.36(11) . . . . ?
C65B C66B C67B C18B -136.92(12) . . . . ?
C24B C66B C67B C18B 6.11(17) . . . . ?
Sc3B C66B C67B C18B -41.98(11) . . . . ?
C65B C66B C67B Sc3B -94.94(10) . . . . ?
C24B C66B C67B Sc3B 48.10(11) . . . . ?
C19B C18B C67B C66B -11.10(18) . . . . ?
C17B C18B C67B C66B 146.59(13) . . . . ?
Sc3B C18B C67B C66B 46.67(12) . . . . ?
C19B C18B C67B C68B -149.83(14) . . . . ?
C17B C18B C67B C68B 7.86(19) . . . . ?
Sc3B C18B C67B C68B -92.05(13) . . . . ?
C19B C18B C67B Sc3B -57.77(12) . . . . ?
C17B C18B C67B Sc3B 99.91(14) . . . . ?
C65B C64B C68B C67B -1.84(17) . . . . ?
C63B C64B C68B C67B -145.23(14) . . . . ?
C65B C64B C68B C69B 141.04(15) . . . . ?
C63B C64B C68B C69B -2.3(2) . . . . ?
C66B C67B C68B C64B -2.82(16) . . . . ?
C18B C67B C68B C64B 140.38(13) . . . . ?
Sc3B C67B C68B C64B 74.33(13) . . . . ?
C66B C67B C68B C69B -145.62(14) . . . . ?
C18B C67B C68B C69B -2.4(2) . . . . ?
Sc3B C67B C68B C69B -68.46(16) . . . . ?
C58B C59B C69B C68B -152.57(16) . . . . ?
C60B C59B C69B C68B -13.2(2) . . . . ?
C58B C59B C69B C70B 5.7(2) . . . . ?
C60B C59B C69B C70B 145.15(16) . . . . ?
C64B C68B C69B C59B 13.7(2) . . . . ?
C67B C68B C69B C59B 152.07(15) . . . . ?
C64B C68B C69B C70B -144.60(16) . . . . ?
C67B C68B C69B C70B -6.2(2) . . . . ?
C11B C10B C70B C17B 4.80(19) . . . . ?
C9B C10B C70B C17B 148.57(14) . . . . ?
C11B C10B C70B C69B -138.86(16) . . . . ?
C9B C10B C70B C69B 4.9(2) . . . . ?
C16B C17B C70B C10B -4.67(19) . . . . ?
C18B C17B C70B C10B -147.69(15) . . . . ?
C16B C17B C70B C69B 138.93(16) . . . . ?
C18B C17B C70B C69B -4.1(2) . . . . ?
C59B C69B C70B C10B -9.4(2) . . . . ?
C68B C69B C70B C10B 148.78(16) . . . . ?
C59B C69B C70B C17B -148.68(16) . . . . ?
C68B C69B C70B C17B 9.5(2) . . . . ?
C3S C1S C2S C3S -0.8(14) . . . 3_756 ?
C2S C1S C3S C2S 0.7(13) . . . 3_756 ?
C9S C4S C5S C6S 1.8(9) . . . . ?
C10S C4S C5S C6S -175.3(6) . . . . ?
C4S C5S C6S C7S -1.4(9) . . . . ?
C5S C6S C7S C8S 1.0(9) . . . . ?
C6S C7S C8S C9S -1.0(9) . . . . ?
C5S C4S C9S C8S -1.8(9) . . . . ?
C10S C4S C9S C8S 175.2(6) . . . . ?
C7S C8S C9S C4S 1.4(9) . . . . ?
C4P N1P C1P C20P -178.47(19) . . . . ?
Ni1P N1P C1P C20P -0.6(3) . . . . ?
C4P N1P C1P C2P -0.28(19) . . . . ?
Ni1P N1P C1P C2P 177.55(12) . . . . ?
C20P C1P C2P C3P 178.16(19) . . . . ?
N1P C1P C2P C3P -0.1(2) . . . . ?
C20P C1P C2P C21P 1.0(3) . . . . ?
N1P C1P C2P C21P -177.26(16) . . . . ?
C1P C2P C3P C4P 0.38(19) . . . . ?
C21P C2P C3P C4P 177.40(17) . . . . ?
C1P C2P C3P C23P -176.8(2) . . . . ?
C21P C2P C3P C23P 0.2(3) . . . . ?
C1P N1P C4P C5P 179.23(17) . . . . ?
Ni1P N1P C4P C5P 1.4(3) . . . . ?
C1P N1P C4P C3P 0.53(19) . . . . ?
Ni1P N1P C4P C3P -177.33(12) . . . . ?
C2P C3P C4P C5P -179.30(17) . . . . ?
C23P C3P C4P C5P -2.0(3) . . . . ?
C2P C3P C4P N1P -0.6(2) . . . . ?
C23P C3P C4P N1P 176.74(18) . . . . ?
N1P C4P C5P C6P -2.5(3) . . . . ?
C3P C4P C5P C6P 176.04(18) . . . . ?
C4P C5P C6P N2P 2.5(3) . . . . ?
C4P C5P C6P C7P -176.65(19) . . . . ?
C9P N2P C6P C5P -179.45(18) . . . . ?
Ni1P N2P C6P C5P -1.4(3) . . . . ?
C9P N2P C6P C7P -0.2(2) . . . . ?
Ni1P N2P C6P C7P 177.85(13) . . . . ?
C5P C6P C7P C8P 178.75(18) . . . . ?
N2P C6P C7P C8P -0.5(2) . . . . ?
C5P C6P C7P C25P 1.6(3) . . . . ?
N2P C6P C7P C25P -177.71(19) . . . . ?
C6P C7P C8P C9P 1.0(2) . . . . ?
C25P C7P C8P C9P 178.0(2) . . . . ?
C6P C7P C8P C27P -176.0(2) . . . . ?
C25P C7P C8P C27P 1.0(4) . . . . ?
C6P N2P C9P C10P 179.69(19) . . . . ?
Ni1P N2P C9P C10P 1.7(3) . . . . ?
C6P N2P C9P C8P 0.8(2) . . . . ?
Ni1P N2P C9P C8P -177.22(13) . . . . ?
C7P C8P C9P C10P 180.0(2) . . . . ?
C27P C8P C9P C10P -2.9(3) . . . . ?
C7P C8P C9P N2P -1.2(2) . . . . ?
C27P C8P C9P N2P 175.95(19) . . . . ?
N2P C9P C10P C11P -2.6(4) . . . . ?
C8P C9P C10P C11P 176.1(2) . . . . ?
C9P C10P C11P N3P 1.9(4) . . . . ?
C9P C10P C11P C12P -176.7(2) . . . . ?
C14P N3P C11P C10P -178.5(2) . . . . ?
Ni1P N3P C11P C10P -0.3(3) . . . . ?
C14P N3P C11P C12P 0.3(2) . . . . ?
Ni1P N3P C11P C12P 178.51(13) . . . . ?
C10P C11P C12P C13P 178.3(2) . . . . ?
N3P C11P C12P C13P -0.5(2) . . . . ?
C10P C11P C12P C29P 1.9(3) . . . . ?
N3P C11P C12P C29P -176.81(17) . . . . ?
C11P C12P C13P C14P 0.45(19) . . . . ?
C29P C12P C13P C14P 176.68(18) . . . . ?
C11P C12P C13P C31P -177.0(2) . . . . ?
C29P C12P C13P C31P -0.7(3) . . . . ?
C11P N3P C14P C15P 179.16(18) . . . . ?
Ni1P N3P C14P C15P 0.9(3) . . . . ?
C11P N3P C14P C13P 0.0(2) . . . . ?
Ni1P N3P C14P C13P -178.24(13) . . . . ?
C12P C13P C14P C15P -179.48(18) . . . . ?
C31P C13P C14P C15P -1.9(3) . . . . ?
C12P C13P C14P N3P -0.3(2) . . . . ?
C31P C13P C14P N3P 177.25(18) . . . . ?
N3P C14P C15P C16P -2.0(3) . . . . ?
C13P C14P C15P C16P 177.07(18) . . . . ?
C14P C15P C16P N4P 2.1(3) . . . . ?
C14P C15P C16P C17P -177.06(18) . . . . ?
C19P N4P C16P C15P -179.77(18) . . . . ?
Ni1P N4P C16P C15P -1.2(3) . . . . ?
C19P N4P C16P C17P -0.5(2) . . . . ?
Ni1P N4P C16P C17P 178.04(13) . . . . ?
C15P C16P C17P C18P 179.32(17) . . . . ?
N4P C16P C17P C18P 0.0(2) . . . . ?
C15P C16P C17P C33P 2.0(3) . . . . ?
N4P C16P C17P C33P -177.30(19) . . . . ?
C16P C17P C18P C19P 0.44(19) . . . . ?
C33P C17P C18P C19P 177.6(2) . . . . ?
C16P C17P C18P C35P -176.90(17) . . . . ?
C33P C17P C18P C35P 0.3(3) . . . . ?
C16P N4P C19P C20P 179.0(2) . . . . ?
Ni1P N4P C19P C20P 0.4(3) . . . . ?
C16P N4P C19P C18P 0.8(2) . . . . ?
Ni1P N4P C19P C18P -177.75(12) . . . . ?
C17P C18P C19P N4P -0.8(2) . . . . ?
C35P C18P C19P N4P 176.73(16) . . . . ?
C17P C18P C19P C20P -179.01(19) . . . . ?
C35P C18P C19P C20P -1.5(3) . . . . ?
N1P C1P C20P C19P 1.5(3) . . . . ?
C2P C1P C20P C19P -176.5(2) . . . . ?
N4P C19P C20P C1P -1.4(3) . . . . ?
C18P C19P C20P C1P 176.56(19) . . . . ?
C3P C2P C21P C22P -94.4(3) . . . . ?
C1P C2P C21P C22P 82.1(3) . . . . ?
C2P C3P C23P C24P 95.1(3) . . . . ?
C4P C3P C23P C24P -81.6(3) . . . . ?
C8P C7P C25P C26P -99.8(4) . . . . ?
C6P C7P C25P C26P 76.7(4) . . . . ?
C7P C8P C27P C28P 94.3(5) . . . . ?
C9P C8P C27P C28P -82.2(5) . . . . ?
C13P C12P C29P C30P -83.0(5) . . . . ?
C11P C12P C29P C30P 92.6(5) . . . . ?
C12P C13P C31P C32P 104.7(4) . . . . ?
C14P C13P C31P C32P -72.3(4) . . . . ?
C18P C17P C33P C34P -93.9(3) . . . . ?
C16P C17P C33P C34P 82.8(3) . . . . ?
C17P C18P C35P C36P 98.3(3) . . . . ?
C19P C18P C35P C36P -78.6(3) . . . . ?
C4Q N1Q C1Q C20Q -178.6(2) . . . . ?
Ni1Q N1Q C1Q C20Q -0.9(3) . . . . ?
C4Q N1Q C1Q C2Q -0.5(2) . . . . ?
Ni1Q N1Q C1Q C2Q 177.24(14) . . . . ?
C20Q C1Q C2Q C3Q 178.8(2) . . . . ?
N1Q C1Q C2Q C3Q 0.7(2) . . . . ?
C20Q C1Q C2Q C21Q 1.8(3) . . . . ?
N1Q C1Q C2Q C21Q -176.36(18) . . . . ?
C1Q C2Q C3Q C4Q -0.6(2) . . . . ?
C21Q C2Q C3Q C4Q 176.31(19) . . . . ?
C1Q C2Q C3Q C23Q -177.8(2) . . . . ?
C21Q C2Q C3Q C23Q -0.9(3) . . . . ?
C1Q N1Q C4Q C5Q 179.3(2) . . . . ?
Ni1Q N1Q C4Q C5Q 1.5(3) . . . . ?
C1Q N1Q C4Q C3Q 0.1(2) . . . . ?
Ni1Q N1Q C4Q C3Q -177.62(15) . . . . ?
C2Q C3Q C4Q C5Q -178.8(2) . . . . ?
C23Q C3Q C4Q C5Q -1.5(3) . . . . ?
C2Q C3Q C4Q N1Q 0.3(2) . . . . ?
C23Q C3Q C4Q N1Q 177.7(2) . . . . ?
N1Q C4Q C5Q C6Q -2.3(3) . . . . ?
C3Q C4Q C5Q C6Q 176.7(2) . . . . ?
C4Q C5Q C6Q N2Q 2.2(4) . . . . ?
C4Q C5Q C6Q C7Q -177.7(2) . . . . ?
C9Q N2Q C6Q C5Q -179.5(2) . . . . ?
Ni1Q N2Q C6Q C5Q -1.2(3) . . . . ?
C9Q N2Q C6Q C7Q 0.3(2) . . . . ?
Ni1Q N2Q C6Q C7Q 178.63(15) . . . . ?
C5Q C6Q C7Q C8Q -179.4(2) . . . . ?
N2Q C6Q C7Q C8Q 0.7(2) . . . . ?
C5Q C6Q C7Q C25Q 3.6(3) . . . . ?
N2Q C6Q C7Q C25Q -176.2(2) . . . . ?
C6Q C7Q C8Q C9Q -1.5(2) . . . . ?
C25Q C7Q C8Q C9Q 175.3(2) . . . . ?
C6Q C7Q C8Q C27Q -178.2(2) . . . . ?
C25Q C7Q C8Q C27Q -1.5(4) . . . . ?
C6Q N2Q C9Q C10Q 178.8(3) . . . . ?
Ni1Q N2Q C9Q C10Q 0.5(4) . . . . ?
C6Q N2Q C9Q C8Q -1.3(2) . . . . ?
Ni1Q N2Q C9Q C8Q -179.55(16) . . . . ?
C7Q C8Q C9Q C10Q -178.3(3) . . . . ?
C27Q C8Q C9Q C10Q -1.4(4) . . . . ?
C7Q C8Q C9Q N2Q 1.8(2) . . . . ?
C27Q C8Q C9Q N2Q 178.7(2) . . . . ?
N2Q C9Q C10Q C11Q -1.8(4) . . . . ?
C8Q C9Q C10Q C11Q 178.3(3) . . . . ?
C9Q C10Q C11Q N3Q 2.1(4) . . . . ?
C9Q C10Q C11Q C12Q -176.2(3) . . . . ?
C14Q N3Q C11Q C10Q -179.1(2) . . . . ?
Ni1Q N3Q C11Q C10Q -1.1(3) . . . . ?
C14Q N3Q C11Q C12Q -0.6(2) . . . . ?
Ni1Q N3Q C11Q C12Q 177.40(15) . . . . ?
C10Q C11Q C12Q C13Q 179.9(2) . . . . ?
N3Q C11Q C12Q C13Q 1.4(2) . . . . ?
C10Q C11Q C12Q C29Q -3.9(3) . . . . ?
N3Q C11Q C12Q C29Q 177.65(19) . . . . ?
C11Q C12Q C13Q C14Q -1.5(2) . . . . ?
C29Q C12Q C13Q C14Q -177.7(2) . . . . ?
C11Q C12Q C13Q C31Q -179.0(2) . . . . ?
C29Q C12Q C13Q C31Q 4.9(4) . . . . ?
C11Q N3Q C14Q C15Q 178.9(2) . . . . ?
Ni1Q N3Q C14Q C15Q 0.9(3) . . . . ?
C11Q N3Q C14Q C13Q -0.4(2) . . . . ?
Ni1Q N3Q C14Q C13Q -178.39(15) . . . . ?
C12Q C13Q C14Q C15Q -178.1(2) . . . . ?
C31Q C13Q C14Q C15Q -0.5(3) . . . . ?
C12Q C13Q C14Q N3Q 1.3(2) . . . . ?
C31Q C13Q C14Q N3Q 178.8(2) . . . . ?
N3Q C14Q C15Q C16Q -1.9(3) . . . . ?
C13Q C14Q C15Q C16Q 177.4(2) . . . . ?
C14Q C15Q C16Q N4Q 1.9(3) . . . . ?
C14Q C15Q C16Q C17Q -177.1(2) . . . . ?
C19Q N4Q C16Q C15Q -179.6(2) . . . . ?
Ni1Q N4Q C16Q C15Q -0.9(3) . . . . ?
C19Q N4Q C16Q C17Q -0.5(2) . . . . ?
Ni1Q N4Q C16Q C17Q 178.16(15) . . . . ?
C15Q C16Q C17Q C18Q 179.3(2) . . . . ?
N4Q C16Q C17Q C18Q 0.2(2) . . . . ?
C15Q C16Q C17Q C33Q 2.0(3) . . . . ?
N4Q C16Q C17Q C33Q -177.1(2) . . . . ?
C16Q C17Q C18Q C19Q 0.2(2) . . . . ?
C33Q C17Q C18Q C19Q 177.4(2) . . . . ?
C16Q C17Q C18Q C35Q -177.29(19) . . . . ?
C33Q C17Q C18Q C35Q -0.1(4) . . . . ?
C16Q N4Q C19Q C20Q 178.9(2) . . . . ?
Ni1Q N4Q C19Q C20Q 0.2(3) . . . . ?
C16Q N4Q C19Q C18Q 0.7(2) . . . . ?
Ni1Q N4Q C19Q C18Q -178.01(15) . . . . ?
C17Q C18Q C19Q N4Q -0.6(2) . . . . ?
C35Q C18Q C19Q N4Q 177.09(18) . . . . ?
C17Q C18Q C19Q C20Q -178.8(2) . . . . ?
C35Q C18Q C19Q C20Q -1.1(3) . . . . ?
N1Q C1Q C20Q C19Q 1.7(4) . . . . ?
C2Q C1Q C20Q C19Q -176.2(2) . . . . ?
N4Q C19Q C20Q C1Q -1.3(4) . . . . ?
C18Q C19Q C20Q C1Q 176.7(2) . . . . ?
C3Q C2Q C21Q C22Q -97.4(6) . . . . ?
C1Q C2Q C21Q C22Q 79.0(6) . . . . ?
C2Q C3Q C23Q C24Q 95.8(4) . . . . ?
C4Q C3Q C23Q C24Q -81.0(4) . . . . ?
C8Q C7Q C25Q C26Q -109.5(8) . . . . ?
C6Q C7Q C25Q C26Q 66.7(8) . . . . ?
C7Q C8Q C27Q C28Q 81.3(6) . . . . ?
C9Q C8Q C27Q C28Q -94.9(6) . . . . ?
C13Q C12Q C29Q C30Q -107.1(6) . . . . ?
C11Q C12Q C29Q C30Q 77.4(6) . . . . ?
C12Q C13Q C31Q C32Q 96.7(5) . . . . ?
C14Q C13Q C31Q C32Q -80.3(5) . . . . ?
C18Q C17Q C33Q C34Q -93.5(4) . . . . ?
C16Q C17Q C33Q C34Q 83.2(4) . . . . ?
C17Q C18Q C35Q C36Q 96.4(7) . . . . ?
C19Q C18Q C35Q C36Q -80.8(7) . . . . ?

_refine_diff_density_max         0.971
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.090



####################################################################### 
# 
# 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@c70_3_160k
_database_code_depnum_ccdc_archive 'CCDC 2362052'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Nanjing Normal University
China
;
_audit_update_record             
;
2024-07-30 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_sc3n@c70_3_160k     
;
PROBLEM: measured_fraction_theta_full value Low
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility.
;
_vrf_PLAT331_sc3n@c70_3_160k     
;
PROBLEM: small average phenyl C-C bond
RESPONSE: This is caused by the disorder of benzene.
;
_vrf_PLAT084_sc3n@c70_3_160k     
;
PROBLEM: high wR2
RESPONSE: This is caused by the disorder.
;
_vrf_PLAT341_sc3n@c70_3_160k     
;
PROBLEM: low C-C bond precision
RESPONSE: This is caused by the disorder.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C2v(7854)-C70/NiOEP/0.5(C6H6)/C7H8;
_chemical_formula_sum            'C116 H55 N5 Ni Sc3'
_chemical_formula_weight         1712.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0047 0.0023 '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 0.0089 0.0046 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2980 1.4586 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3007 0.4981 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.350(4)
_cell_length_b                   16.480(3)
_cell_length_c                   25.660(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.04(3)
_cell_angle_gamma                90
_cell_volume                     7051(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    160(2)
_cell_measurement_reflns_used    110635
_cell_measurement_theta_min      2.021
_cell_measurement_theta_max      36.790

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_F_000             3508
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.914
_shelx_estimated_absorpt_T_min   0.914
_shelx_estimated_absorpt_T_max   0.947
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      160(2)
_diffrn_radiation_wavelength     0.82656
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            110635
_diffrn_reflns_av_unetI/netI     0.0189
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.021
_diffrn_reflns_theta_max         36.790
_diffrn_reflns_theta_full        29.731
_diffrn_measured_fraction_theta_max 0.790
_diffrn_measured_fraction_theta_full 0.916
_diffrn_reflns_Laue_measured_fraction_max 0.790
_diffrn_reflns_Laue_measured_fraction_full 0.916
_diffrn_reflns_point_group_measured_fraction_max 0.790
_diffrn_reflns_point_group_measured_fraction_full 0.916
_reflns_number_total             17763
_reflns_number_gt                12971
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2862P)²+1.9600P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17763
_refine_ls_number_parameters     2176
_refine_ls_number_restraints     3702
_refine_ls_R_factor_all          0.1243
_refine_ls_R_factor_gt           0.1101
_refine_ls_wR_factor_ref         0.3955
_refine_ls_wR_factor_gt          0.3607
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.066
_refine_ls_shift/su_mean         0.003

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 0.44976(9) 0.47420(9) 0.84628(7) 0.0651(4) Uani 0.5244(12) 1 d . . P A
1
Sc2A Sc 0.35572(7) 0.45651(8) 0.72346(5) 0.0577(3) Uani 0.5244(12) 1 d . . P A
1
Sc3A Sc 0.22434(7) 0.52629(11) 0.77691(6) 0.0708(4) Uani 0.5244(12) 1 d . . P A
1
N1A N 0.3466(10) 0.4904(10) 0.7954(8) 0.0294(17) Uani 0.5244(12) 1 d . . P A 1
C1A C 0.58072(7) 0.49408(6) 0.90430(4) 0.100(5) Uani 0.5244(12) 1 d D U P A 1
C2A C 0.58863(7) 0.49483(6) 0.85052(4) 0.112(6) Uani 0.5244(12) 1 d D U P A 1
C3A C 0.56729(8) 0.41693(7) 0.82752(4) 0.107(4) Uani 0.5244(12) 1 d D U P A 1
C4A C 0.54854(7) 0.36715(6) 0.86757(4) 0.104(3) Uani 0.5244(12) 1 d D U P A 1
C5A C 0.55569(7) 0.41524(7) 0.91475(4) 0.114(4) Uani 0.5244(12) 1 d D U P A 1
C6A C 0.48837(6) 0.42366(6) 0.93580(4) 0.095(3) Uani 0.5244(12) 1 d D U P A 1
C7A C 0.47606(6) 0.50803(6) 0.94235(4) 0.100(4) Uani 0.5244(12) 1 d D U P A 1
C8A C 0.52913(6) 0.55134(6) 0.91894(4) 0.102(3) Uani 0.5244(12) 1 d D U P A 1
C9A C 0.50058(6) 0.61974(6) 0.88470(4) 0.102(3) Uani 0.5244(12) 1 d D U P A 1
C10A C 0.42762(7) 0.65836(10) 0.88827(5) 0.124(5) Uani 0.5244(12) 1 d D U P A 1
C11A C 0.37702(6) 0.61908(9) 0.91531(7) 0.098(3) Uani 0.5244(12) 1 d D U P A 1
C12A C 0.39674(7) 0.53833(8) 0.93690(9) 0.097(3) Uani 0.5244(12) 1 d D U P A 1
C13A C 0.33274(7) 0.48060(7) 0.93347(8) 0.114(3) Uani 0.5244(12) 1 d D U P A 1
C14A C 0.25235(8) 0.50129(8) 0.90645(7) 0.125(6) Uani 0.5244(12) 1 d D U P A 1
C15A C 0.23336(7) 0.58037(7) 0.88167(4) 0.116(4) Uani 0.5244(12) 1 d D U P A 1
C16A C 0.29649(7) 0.63991(9) 0.88824(6) 0.115(4) Uani 0.5244(12) 1 d D U P A 1
C17A C 0.29767(7) 0.69204(11) 0.84434(5) 0.121(5) Uani 0.5244(12) 1 d D U P A 1
C18A C 0.23395(7) 0.68830(8) 0.79448(4) 0.120(4) Uani 0.5244(12) 1 d D U P A 1
C19A C 0.16115(8) 0.64643(8) 0.79481(4) 0.120(4) Uani 0.5244(12) 1 d D U P A 1
C20A C 0.16256(9) 0.58874(8) 0.83676(4) 0.109(4) Uani 0.5244(12) 1 d D U P A 1
C21A C 0.12033(8) 0.51802(7) 0.81187(4) 0.137(5) Uani 0.5244(12) 1 d D U P A 1
C22A C 0.08528(8) 0.53561(7) 0.75582(4) 0.115(3) Uani 0.5244(12) 1 d D U P A 1
C23A C 0.11038(8) 0.61481(7) 0.74523(4) 0.116(4) Uani 0.5244(12) 1 d D U P A 1
C24A C 0.13921(7) 0.61015(7) 0.69820(4) 0.123(4) Uani 0.5244(12) 1 d D U P A 1
C25A C 0.13358(7) 0.52767(6) 0.68039(4) 0.105(3) Uani 0.5244(12) 1 d D U P A 1
C26A C 0.09878(7) 0.48206(6) 0.71538(4) 0.109(3) Uani 0.5244(12) 1 d D U P A 1
C27A C 0.12712(8) 0.40067(8) 0.73110(5) 0.126(4) Uani 0.5244(12) 1 d D U P A 1
C28A C 0.17886(7) 0.36165(8) 0.70504(5) 0.128(5) Uani 0.5244(12) 1 d D U P A 1
C29A C 0.21213(5) 0.40584(7) 0.66739(6) 0.112(4) Uani 0.5244(12) 1 d D U P A 1
C30A C 0.19530(5) 0.49219(6) 0.65917(6) 0.105(5) Uani 0.5244(12) 1 d D U P A 1
C31A C 0.25685(5) 0.54534(6) 0.64896(6) 0.115(4) Uani 0.5244(12) 1 d D U P A 1
C32A C 0.32749(6) 0.51036(6) 0.63813(6) 0.111(4) Uani 0.5244(12) 1 d D U P A 1
C33A C 0.33548(6) 0.42353(7) 0.63617(6) 0.108(3) Uani 0.5244(12) 1 d D U P A 1
C34A C 0.28340(6) 0.37190(7) 0.65637(6) 0.118(4) Uani 0.5244(12) 1 d D U P A 1
C35A C 0.33296(6) 0.31741(7) 0.69475(5) 0.117(4) Uani 0.5244(12) 1 d D U P A 1
C36A C 0.41490(6) 0.33884(7) 0.70133(5) 0.122(4) Uani 0.5244(12) 1 d D U P A 1
C37A C 0.41636(6) 0.40307(7) 0.66393(6) 0.115(4) Uani 0.5244(12) 1 d D U P A 1
C38A C 0.45864(6) 0.47660(6) 0.68317(5) 0.116(3) Uani 0.5244(12) 1 d D U P A 1
C39A C 0.51334(7) 0.47933(6) 0.73722(4) 0.120(4) Uani 0.5244(12) 1 d D U P A 1
C40A C 0.52142(9) 0.40991(7) 0.77174(3) 0.141(5) Uani 0.5244(12) 1 d D U P A 1
C41A C 0.46973(6) 0.34102(7) 0.75532(4) 0.142(5) Uani 0.5244(12) 1 d D U P A 1
C42A C 0.44897(7) 0.29264(10) 0.79651(4) 0.107(3) Uani 0.5244(12) 1 d D U P A 1
C43A C 0.48415(7) 0.30974(6) 0.85193(4) 0.112(3) Uani 0.5244(12) 1 d D U P A 1
C44A C 0.42305(7) 0.30899(10) 0.87852(5) 0.122(4) Uani 0.5244(12) 1 d D U P A 1
C45A C 0.35147(7) 0.28286(11) 0.84076(5) 0.123(4) Uani 0.5244(12) 1 d D U P A 1
C46A C 0.36790(7) 0.27099(11) 0.79019(4) 0.127(4) Uani 0.5244(12) 1 d D U P A 1
C47A C 0.30796(7) 0.29025(11) 0.74058(5) 0.142(5) Uani 0.5244(12) 1 d D U P A 1
C48A C 0.22757(7) 0.30744(10) 0.74270(4) 0.137(5) Uani 0.5244(12) 1 d D U P A 1
C49A C 0.21139(8) 0.31914(10) 0.79327(5) 0.136(5) Uani 0.5244(12) 1 d D U P A 1
C50A C 0.27541(8) 0.31588(11) 0.84258(5) 0.125(4) Uani 0.5244(12) 1 d D U P A 1
C51A C 0.27278(8) 0.36917(9) 0.88657(6) 0.100(3) Uani 0.5244(12) 1 d D U P A 1
C52A C 0.21475(9) 0.43127(8) 0.87872(6) 0.123(4) Uani 0.5244(12) 1 d D U P A 1
C53A C 0.15449(8) 0.43891(6) 0.82760(4) 0.130(5) Uani 0.5244(12) 1 d D U P A 1
C54A C 0.15125(9) 0.37896(9) 0.78635(5) 0.127(5) Uani 0.5244(12) 1 d D U P A 1
C55A C 0.34428(7) 0.39809(8) 0.92263(7) 0.110(4) Uani 0.5244(12) 1 d D U P A 1
C56A C 0.42131(6) 0.37068(7) 0.91776(4) 0.119(4) Uani 0.5244(12) 1 d D U P A 1
C57A C 0.56570(7) 0.56563(6) 0.81808(4) 0.128(5) Uani 0.5244(12) 1 d D U P A 1
C58A C 0.52525(8) 0.62936(9) 0.83618(4) 0.111(4) Uani 0.5244(12) 1 d D U P A 1
C59A C 0.47371(8) 0.66670(10) 0.78989(4) 0.117(4) Uani 0.5244(12) 1 d D U P A 1
C60A C 0.48053(8) 0.62414(9) 0.74343(5) 0.110(4) Uani 0.5244(12) 1 d D U P A 1
C61A C 0.53356(9) 0.55829(8) 0.76125(5) 0.117(4) Uani 0.5244(12) 1 d D U P A 1
C62A C 0.40478(6) 0.54275(6) 0.66502(5) 0.107(3) Uani 0.5244(12) 1 d D U P A 1
C63A C 0.41126(8) 0.61413(9) 0.69765(6) 0.110(3) Uani 0.5244(12) 1 d D U P A 1
C64A C 0.34018(7) 0.65966(9) 0.69611(5) 0.114(4) Uani 0.5244(12) 1 d D U P A 1
C65A C 0.26378(6) 0.62784(8) 0.66958(5) 0.130(5) Uani 0.5244(12) 1 d D U P A 1
C66A C 0.20873(6) 0.65817(7) 0.69667(4) 0.116(4) Uani 0.5244(12) 1 d D U P A 1
C67A C 0.25299(6) 0.69952(7) 0.74371(4) 0.108(4) Uani 0.5244(12) 1 d D U P A 1
C68A C 0.33394(7) 0.70286(11) 0.74236(5) 0.113(4) Uani 0.5244(12) 1 d D U P A 1
C69A C 0.39785(7) 0.69852(12) 0.79190(4) 0.116(4) Uani 0.5244(12) 1 d D U P A 1
C70A C 0.37841(6) 0.69973(10) 0.84290(5) 0.126(5) Uani 0.5244(12) 1 d D U P A 1
Sc1B Sc 0.44956(10) 0.51719(12) 0.84588(9) 0.0762(6) Uani 0.4756(12) 1 d . . P
A 2
Sc2B Sc 0.35436(8) 0.53424(11) 0.72251(6) 0.0629(4) Uani 0.4756(12) 1 d . . P A
2
Sc3B Sc 0.22290(9) 0.47059(16) 0.77868(8) 0.0885(7) Uani 0.4756(12) 1 d . . P A
2
N1B N 0.3355(12) 0.5031(11) 0.7913(9) 0.031(2) Uani 0.4756(12) 1 d . . P A 2
C1B C 0.55621(7) 0.57735(7) 0.91366(4) 0.131(5) Uani 0.4756(12) 1 d D U P A 2
C2B C 0.54834(7) 0.62493(6) 0.86615(4) 0.124(4) Uani 0.4756(12) 1 d D U P A 2
C3B C 0.56718(8) 0.57504(7) 0.82630(4) 0.121(5) Uani 0.4756(12) 1 d D U P A 2
C4B C 0.58912(7) 0.49729(6) 0.84963(4) 0.114(7) Uani 0.4756(12) 1 d D U P A 2
C5B C 0.58116(7) 0.49840(6) 0.90337(4) 0.118(7) Uani 0.4756(12) 1 d D U P A 2
C6B C 0.52951(6) 0.44134(6) 0.91831(4) 0.125(5) Uani 0.4756(12) 1 d D U P A 2
C7B C 0.47682(6) 0.48510(6) 0.94188(4) 0.115(4) Uani 0.4756(12) 1 d D U P A 2
C8B C 0.48931(6) 0.56930(6) 0.93506(4) 0.113(4) Uani 0.4756(12) 1 d D U P A 2
C9B C 0.42207(6) 0.62256(7) 0.91697(4) 0.139(6) Uani 0.4756(12) 1 d D U P A 2
C10B C 0.34557(7) 0.59565(8) 0.92241(6) 0.131(5) Uani 0.4756(12) 1 d D U P A 2
C11B C 0.33379(7) 0.51309(7) 0.93360(7) 0.134(5) Uani 0.4756(12) 1 d D U P A 2
C12B C 0.39748(7) 0.45513(8) 0.93680(9) 0.109(4) Uani 0.4756(12) 1 d D U P A 2
C13B C 0.37731(7) 0.37435(9) 0.91531(7) 0.105(4) Uani 0.4756(12) 1 d D U P A 2
C14B C 0.29677(7) 0.35380(9) 0.88861(7) 0.126(5) Uani 0.4756(12) 1 d D U P A 2
C15B C 0.23372(7) 0.41360(7) 0.88224(4) 0.134(5) Uani 0.4756(12) 1 d D U P A 2
C16B C 0.25306(7) 0.49257(7) 0.90687(7) 0.135(6) Uani 0.4756(12) 1 d D U P A 2
C17B C 0.21519(8) 0.56278(8) 0.87907(6) 0.149(5) Uani 0.4756(12) 1 d D U P A 2
C18B C 0.15481(8) 0.55480(6) 0.82784(4) 0.146(6) Uani 0.4756(12) 1 d D U P A 2
C19B C 0.12031(9) 0.47582(7) 0.81250(4) 0.143(5) Uani 0.4756(12) 1 d D U P A 2
C20B C 0.16265(9) 0.40514(7) 0.83754(4) 0.126(5) Uani 0.4756(12) 1 d D U P A 2
C21B C 0.16090(8) 0.34717(7) 0.79577(4) 0.135(5) Uani 0.4756(12) 1 d D U P A 2
C22B C 0.11001(8) 0.37828(7) 0.74621(4) 0.145(6) Uani 0.4756(12) 1 d D U P A 2
C23B C 0.08490(8) 0.45763(6) 0.75647(4) 0.132(5) Uani 0.4756(12) 1 d D U P A 2
C24B C 0.09793(8) 0.51076(6) 0.71564(4) 0.135(5) Uani 0.4756(12) 1 d D U P A 2
C25B C 0.13277(7) 0.46460(6) 0.68082(4) 0.129(5) Uani 0.4756(12) 1 d D U P A 2
C26B C 0.13868(7) 0.38251(6) 0.69912(4) 0.135(6) Uani 0.4756(12) 1 d D U P A 2
C27B C 0.20795(7) 0.33461(9) 0.69765(5) 0.140(6) Uani 0.4756(12) 1 d D U P A 2
C28B C 0.26241(6) 0.36398(8) 0.67004(5) 0.161(6) Uani 0.4756(12) 1 d D U P A 2
C29B C 0.25537(5) 0.44612(6) 0.64890(6) 0.136(5) Uani 0.4756(12) 1 d D U P A 2
C30B C 0.19435(5) 0.49954(6) 0.65922(6) 0.110(5) Uani 0.4756(12) 1 d D U P A 2
C31B C 0.21158(5) 0.58606(7) 0.66720(6) 0.124(4) Uani 0.4756(12) 1 d D U P A 2
C32B C 0.28250(6) 0.61946(7) 0.65584(6) 0.126(5) Uani 0.4756(12) 1 d D U P A 2
C33B C 0.33429(6) 0.56749(7) 0.63548(6) 0.120(4) Uani 0.4756(12) 1 d D U P A 2
C34B C 0.32618(6) 0.48080(6) 0.63765(6) 0.132(5) Uani 0.4756(12) 1 d D U P A 2
C35B C 0.40348(6) 0.44830(6) 0.66438(5) 0.113(4) Uani 0.4756(12) 1 d D U P A 2
C36B C 0.45770(6) 0.51437(6) 0.68219(5) 0.126(5) Uani 0.4756(12) 1 d D U P A 2
C37B C 0.41528(6) 0.58796(7) 0.66295(6) 0.126(5) Uani 0.4756(12) 1 d D U P A 2
C38B C 0.41415(6) 0.65225(7) 0.70027(5) 0.141(6) Uani 0.4756(12) 1 d D U P A 2
C39B C 0.46909(6) 0.65006(7) 0.75425(4) 0.164(7) Uani 0.4756(12) 1 d D U P A 2
C40B C 0.52097(9) 0.58175(7) 0.77058(3) 0.157(6) Uani 0.4756(12) 1 d D U P A 2
C41B C 0.51302(7) 0.51194(6) 0.73601(4) 0.126(5) Uani 0.4756(12) 1 d D U P A 2
C42B C 0.53293(9) 0.43286(8) 0.76050(5) 0.120(4) Uani 0.4756(12) 1 d D U P A 2
C43B C 0.56537(7) 0.42589(6) 0.81721(4) 0.129(5) Uani 0.4756(12) 1 d D U P A 2
C44B C 0.52485(8) 0.36262(9) 0.83564(5) 0.140(5) Uani 0.4756(12) 1 d D U P A 2
C45B C 0.47329(8) 0.32464(10) 0.78964(5) 0.137(5) Uani 0.4756(12) 1 d D U P A 2
C46B C 0.47957(8) 0.36705(9) 0.74295(5) 0.117(4) Uani 0.4756(12) 1 d D U P A 2
C47B C 0.41000(8) 0.37712(9) 0.69739(6) 0.139(5) Uani 0.4756(12) 1 d D U P A 2
C48B C 0.33871(7) 0.33165(9) 0.69611(5) 0.141(6) Uani 0.4756(12) 1 d D U P A 2
C49B C 0.33271(7) 0.28929(11) 0.74279(5) 0.140(5) Uani 0.4756(12) 1 d D U P A 2
C50B C 0.39690(8) 0.29315(12) 0.79198(5) 0.141(6) Uani 0.4756(12) 1 d D U P A 2
C51B C 0.37774(7) 0.29351(11) 0.84316(5) 0.156(6) Uani 0.4756(12) 1 d D U P A 2
C52B C 0.29753(7) 0.30170(11) 0.84484(6) 0.137(6) Uani 0.4756(12) 1 d D U P A 2
C53B C 0.23351(7) 0.30483(7) 0.79532(4) 0.145(6) Uani 0.4756(12) 1 d D U P A 2
C54B C 0.25231(7) 0.29377(11) 0.74461(5) 0.113(4) Uani 0.4756(12) 1 d D U P A 2
C55B C 0.42733(7) 0.33464(10) 0.88824(6) 0.144(6) Uani 0.4756(12) 1 d D U P A 2
C56B C 0.50072(6) 0.37298(6) 0.88448(4) 0.122(4) Uani 0.4756(12) 1 d D U P A 2
C57B C 0.48467(7) 0.68230(6) 0.85071(4) 0.133(5) Uani 0.4756(12) 1 d D U P A 2
C58B C 0.42390(6) 0.68367(10) 0.87762(5) 0.154(6) Uani 0.4756(12) 1 d D U P A 2
C59B C 0.35214(7) 0.70926(11) 0.83979(4) 0.150(6) Uani 0.4756(12) 1 d D U P A 2
C60B C 0.36826(7) 0.72100(11) 0.78915(4) 0.152(6) Uani 0.4756(12) 1 d D U P A 2
C61B C 0.44907(7) 0.69909(10) 0.79516(4) 0.135(5) Uani 0.4756(12) 1 d D U P A 2
C62B C 0.33243(6) 0.67404(7) 0.69395(5) 0.141(6) Uani 0.4756(12) 1 d D U P A 2
C63B C 0.30791(7) 0.70178(11) 0.73972(5) 0.161(7) Uani 0.4756(12) 1 d D U P A 2
C64B C 0.22792(7) 0.68482(10) 0.74226(4) 0.150(6) Uani 0.4756(12) 1 d D U P A 2
C65B C 0.17847(7) 0.63095(8) 0.70468(5) 0.145(6) Uani 0.4756(12) 1 d D U P A 2
C66B C 0.12630(7) 0.59260(6) 0.73099(4) 0.140(5) Uani 0.4756(12) 1 d D U P A 2
C67B C 0.15084(7) 0.61486(6) 0.78633(4) 0.155(6) Uani 0.4756(12) 1 d D U P A 2
C68B C 0.21187(8) 0.67409(10) 0.79291(4) 0.147(6) Uani 0.4756(12) 1 d D U P A 2
C69B C 0.27660(7) 0.67694(11) 0.84207(5) 0.143(6) Uani 0.4756(12) 1 d D U P A 2
C70B C 0.27372(7) 0.62488(9) 0.88651(5) 0.117(5) Uani 0.4756(12) 1 d D U P A 2
C1S C 0.9200(9) 0.0010(2) 0.4970(7) 0.146(4) Uani 1 1 d . . . B 3
H1S H 0.864208 0.000932 0.494200 0.176 Uiso 1 1 calc R U . B 3
C2S C 0.9721(14) -0.0053(4) 0.5443(8) 0.169(6) Uani 1 1 d . . . B 3
H2S H 0.953718 -0.008186 0.575859 0.203 Uiso 1 1 calc R U . B 3
C3S C 0.946(2) 0.0080(5) 0.4503(9) 0.249(12) Uani 1 1 d . . . B 3
H3S H 0.908762 0.014470 0.415714 0.298 Uiso 1 1 calc R U . B 3
C4S C 0.7088(5) 0.4953(3) 0.7211(5) 0.112(3) Uani 1 1 d . . . C 3
C5S C 0.6833(4) 0.5678(3) 0.6963(4) 0.115(2) Uani 1 1 d . . . C 3
H5S H 0.703389 0.617574 0.713499 0.138 Uiso 1 1 calc R U . C 3
C6S C 0.6251(5) 0.5674(3) 0.6434(4) 0.122(3) Uani 1 1 d . . . C 3
H6S H 0.605210 0.617003 0.625946 0.146 Uiso 1 1 calc R U . C 3
C7S C 0.5999(6) 0.4964(2) 0.6195(4) 0.110(3) Uani 1 1 d . . . C 3
H7S H 0.562312 0.496717 0.584642 0.132 Uiso 1 1 calc R U . C 3
C8S C 0.6258(5) 0.4241(3) 0.6430(4) 0.123(3) Uani 1 1 d . . . C 3
H8S H 0.606508 0.374701 0.624967 0.147 Uiso 1 1 calc R U . C 3
C9S C 0.6827(4) 0.4232(3) 0.6954(4) 0.114(2) Uani 1 1 d . . . C 3
H9S H 0.702209 0.373128 0.712274 0.137 Uiso 1 1 calc R U . C 3
C10S C 0.7671(8) 0.4948(4) 0.7800(8) 0.177(6) Uani 1 1 d . . . C 3
H10A H 0.759439 0.544541 0.798885 0.265 Uiso 1 1 calc R U . C 3
H10B H 0.822670 0.492036 0.778075 0.265 Uiso 1 1 calc R U . C 3
H10C H 0.755552 0.447545 0.799754 0.265 Uiso 1 1 calc R U . C 3
Ni1P Ni 0.08775(2) 0.48675(4) 0.54969(2) 0.0345(2) Uani 0.6572(13) 1 d D . P D
4
N1P N 0.02236(8) 0.56998(7) 0.57168(7) 0.0400(6) Uani 0.6572(13) 1 d D U P D 4
N2P N 0.15266(8) 0.57177(7) 0.52921(7) 0.0415(6) Uani 0.6572(13) 1 d D U P D 4
N3P N 0.15524(8) 0.40439(7) 0.53082(7) 0.0417(6) Uani 0.6572(13) 1 d D U P D 4
N4P N 0.02542(8) 0.40260(7) 0.57344(7) 0.0397(6) Uani 0.6572(13) 1 d D U P D 4
C1P C -0.04072(9) 0.55908(8) 0.59392(8) 0.0422(7) Uani 0.6572(13) 1 d D U P D 4
C2P C -0.07183(9) 0.63522(9) 0.60636(7) 0.0468(8) Uani 0.6572(13) 1 d D U P D 4
C3P C -0.02743(10) 0.69394(8) 0.59169(8) 0.0495(8) Uani 0.6572(13) 1 d D U P D
4
C4P C 0.03080(9) 0.65352(9) 0.56970(8) 0.0423(7) Uani 0.6572(13) 1 d D U P D 4
C5P C 0.08687(9) 0.69174(12) 0.55086(8) 0.0484(9) Uani 0.6572(13) 1 d D U P D 4
H5P H 0.085675 0.749367 0.550290 0.058 Uiso 0.6572(13) 1 calc R U P D 4
C6P C 0.14427(9) 0.65522(9) 0.53285(8) 0.0448(7) Uani 0.6572(13) 1 d D U P D 4
C7P C 0.20594(9) 0.69689(8) 0.51457(9) 0.0558(10) Uani 0.6572(13) 1 d D U P D 4
C8P C 0.25206(9) 0.64020(9) 0.50096(9) 0.0588(10) Uani 0.6572(13) 1 d D U P D 4
C9P C 0.21892(10) 0.56221(8) 0.50951(9) 0.0480(8) Uani 0.6572(13) 1 d D U P D 4
C10P C 0.24975(13) 0.48824(8) 0.49975(12) 0.0522(9) Uani 0.6572(13) 1 d D U P D
4
H10P H 0.293914 0.488445 0.484613 0.063 Uiso 0.6572(13) 1 calc R U P D 4
C11P C 0.22077(9) 0.41459(8) 0.51049(9) 0.0478(8) Uani 0.6572(13) 1 d D U P D 4
C12P C 0.25651(9) 0.33637(9) 0.50361(8) 0.0564(10) Uani 0.6572(13) 1 d D U P D
4
C13P C 0.21254(9) 0.27907(8) 0.51870(8) 0.0521(9) Uani 0.6572(13) 1 d D U P D 4
C14P C 0.14961(9) 0.32065(9) 0.53579(8) 0.0433(7) Uani 0.6572(13) 1 d D U P D 4
C15P C 0.09369(9) 0.28100(12) 0.55484(8) 0.0487(8) Uani 0.6572(13) 1 d D U P D
4
H15P H 0.094776 0.223365 0.555456 0.058 Uiso 0.6572(13) 1 calc R U P D 4
C16P C 0.03652(9) 0.31931(9) 0.57298(8) 0.0431(7) Uani 0.6572(13) 1 d D U P D 4
C17P C -0.02045(10) 0.27668(8) 0.59562(8) 0.0489(8) Uani 0.6572(13) 1 d D U P D
4
C18P C -0.06632(9) 0.33475(9) 0.60937(7) 0.0480(8) Uani 0.6572(13) 1 d D U P D
4
C19P C -0.03782(9) 0.41177(8) 0.59541(8) 0.0418(7) Uani 0.6572(13) 1 d D U P D
4
C20P C -0.06955(13) 0.48519(8) 0.60454(12) 0.0420(8) Uani 0.6572(13) 1 d D U P
D 4
H20P H -0.114276 0.484695 0.619118 0.050 Uiso 0.6572(13) 1 calc R U P D 4
C21P C -0.13805(11) 0.64343(19) 0.63331(8) 0.0529(9) Uani 0.6572(13) 1 d D U P
D 4
H21A H -0.179844 0.602291 0.618233 0.063 Uiso 0.6572(13) 1 calc R U P D 4
H21B H -0.162892 0.697726 0.625242 0.063 Uiso 0.6572(13) 1 calc R U P D 4
C22P C -0.1075(2) 0.6324(4) 0.69482(8) 0.0620(15) Uani 0.6572(13) 1 d D U P D 4
H22A H -0.091921 0.575708 0.703125 0.093 Uiso 0.6572(13) 1 calc R U P D 4
H22B H -0.150084 0.646911 0.711491 0.093 Uiso 0.6572(13) 1 calc R U P D 4
H22C H -0.060950 0.667619 0.709226 0.093 Uiso 0.6572(13) 1 calc R U P D 4
C23P C -0.03120(17) 0.78385(10) 0.59850(11) 0.0577(10) Uani 0.6572(13) 1 d D U
P D 4
H23A H -0.086161 0.799157 0.599013 0.069 Uiso 0.6572(13) 1 calc R U P D 4
H23B H -0.019772 0.810997 0.567027 0.069 Uiso 0.6572(13) 1 calc R U P D 4
C24P C 0.0275(3) 0.81341(19) 0.64976(14) 0.0721(15) Uani 0.6572(13) 1 d D U P D
4
H24A H 0.081547 0.814120 0.644924 0.108 Uiso 0.6572(13) 1 calc R U P D 4
H24B H 0.026392 0.777002 0.679750 0.108 Uiso 0.6572(13) 1 calc R U P D 4
H24C H 0.012661 0.868347 0.657993 0.108 Uiso 0.6572(13) 1 calc R U P D 4
C25P C 0.21502(18) 0.78670(10) 0.51535(11) 0.0703(13) Uani 0.6572(13) 1 d D U P
D 4
H25A H 0.161376 0.811598 0.501135 0.084 Uiso 0.6572(13) 1 calc R U P D 4
H25B H 0.247599 0.802020 0.490723 0.084 Uiso 0.6572(13) 1 calc R U P D 4
C26P C 0.2540(5) 0.8212(2) 0.57109(13) 0.104(3) Uani 0.6572(13) 1 d D U P D 4
H26A H 0.267134 0.878469 0.567760 0.156 Uiso 0.6572(13) 1 calc R U P D 4
H26B H 0.303275 0.790966 0.587920 0.156 Uiso 0.6572(13) 1 calc R U P D 4
H26C H 0.216998 0.816486 0.593657 0.156 Uiso 0.6572(13) 1 calc R U P D 4
C27P C 0.32576(10) 0.6513(2) 0.48202(11) 0.0820(16) Uani 0.6572(13) 1 d D U P D
4
H27A H 0.324184 0.705456 0.465081 0.098 Uiso 0.6572(13) 1 calc R U P D 4
H27B H 0.326283 0.609948 0.454121 0.098 Uiso 0.6572(13) 1 calc R U P D 4
C28P C 0.40185(13) 0.6438(6) 0.52827(18) 0.111(3) Uani 0.6572(13) 1 d D U P D 4
H28A H 0.448326 0.656522 0.515061 0.167 Uiso 0.6572(13) 1 calc R U P D 4
H28B H 0.406721 0.588193 0.542400 0.167 Uiso 0.6572(13) 1 calc R U P D 4
H28C H 0.399651 0.681717 0.557225 0.167 Uiso 0.6572(13) 1 calc R U P D 4
C29P C 0.33104(10) 0.3260(2) 0.48509(10) 0.0712(14) Uani 0.6572(13) 1 d D U P D
4
H29A H 0.335502 0.371876 0.461218 0.085 Uiso 0.6572(13) 1 calc R U P D 4
H29B H 0.326576 0.275368 0.463662 0.085 Uiso 0.6572(13) 1 calc R U P D 4
C30P C 0.40597(13) 0.3223(6) 0.53230(17) 0.101(3) Uani 0.6572(13) 1 d D U P D 4
H30A H 0.451245 0.304088 0.519399 0.152 Uiso 0.6572(13) 1 calc R U P D 4
H30B H 0.397677 0.284106 0.559523 0.152 Uiso 0.6572(13) 1 calc R U P D 4
H30C H 0.417498 0.376326 0.548538 0.152 Uiso 0.6572(13) 1 calc R U P D 4
C31P C 0.22601(18) 0.18862(10) 0.52231(11) 0.0641(12) Uani 0.6572(13) 1 d D U P
D 4
H31A H 0.264034 0.174134 0.501287 0.077 Uiso 0.6572(13) 1 calc R U P D 4
H31B H 0.174525 0.161100 0.505159 0.077 Uiso 0.6572(13) 1 calc R U P D 4
C32P C 0.2584(5) 0.15674(19) 0.57959(12) 0.088(2) Uani 0.6572(13) 1 d D U P D 4
H32A H 0.276781 0.100704 0.578396 0.131 Uiso 0.6572(13) 1 calc R U P D 4
H32B H 0.216035 0.158297 0.598083 0.131 Uiso 0.6572(13) 1 calc R U P D 4
H32C H 0.303507 0.190609 0.599325 0.131 Uiso 0.6572(13) 1 calc R U P D 4
C33P C -0.02216(17) 0.18675(10) 0.60319(12) 0.0607(11) Uani 0.6572(13) 1 d D U
P D 4
H33A H -0.010476 0.159579 0.571814 0.073 Uiso 0.6572(13) 1 calc R U P D 4
H33B H -0.076702 0.170360 0.604030 0.073 Uiso 0.6572(13) 1 calc R U P D 4
C34P C 0.0378(3) 0.1584(2) 0.65486(14) 0.0789(17) Uani 0.6572(13) 1 d D U P D 4
H34A H 0.092367 0.169226 0.652600 0.118 Uiso 0.6572(13) 1 calc R U P D 4
H34B H 0.031197 0.100054 0.659502 0.118 Uiso 0.6572(13) 1 calc R U P D 4
H34C H 0.028750 0.187675 0.685884 0.118 Uiso 0.6572(13) 1 calc R U P D 4
C35P C -0.13216(11) 0.3256(2) 0.63681(8) 0.0562(10) Uani 0.6572(13) 1 d D U P D
4
H35A H -0.154950 0.270256 0.630144 0.067 Uiso 0.6572(13) 1 calc R U P D 4
H35B H -0.175521 0.364784 0.620883 0.067 Uiso 0.6572(13) 1 calc R U P D 4
C36P C -0.1015(2) 0.3401(3) 0.69805(8) 0.0612(14) Uani 0.6572(13) 1 d D U P D 4
H36A H -0.073736 0.392466 0.704809 0.092 Uiso 0.6572(13) 1 calc R U P D 4
H36B H -0.064338 0.296663 0.714722 0.092 Uiso 0.6572(13) 1 calc R U P D 4
H36C H -0.146981 0.340571 0.713782 0.092 Uiso 0.6572(13) 1 calc R U P D 4
Ni1Q Ni 0.08826(4) 0.51503(5) 0.54954(4) 0.0345(2) Uani 0.3428(13) 1 d D . P D
5
N1Q N 0.02536(8) 0.59850(7) 0.57369(7) 0.0438(10) Uani 0.3428(13) 1 d D U P D 5
N2Q N 0.15548(8) 0.59963(7) 0.53104(8) 0.0492(10) Uani 0.3428(13) 1 d D U P D 5
N3Q N 0.15335(8) 0.43227(7) 0.52857(8) 0.0493(10) Uani 0.3428(13) 1 d D U P D 5
N4Q N 0.02367(8) 0.43112(7) 0.57134(8) 0.0434(10) Uani 0.3428(13) 1 d D U P D 5
C1Q C -0.03781(10) 0.58784(8) 0.59587(9) 0.0440(9) Uani 0.3428(13) 1 d D U P D
5
C2Q C -0.06646(9) 0.66395(9) 0.61046(8) 0.0461(10) Uani 0.3428(13) 1 d D U P D
5
C3Q C -0.02110(10) 0.72245(8) 0.59655(9) 0.0475(10) Uani 0.3428(13) 1 d D U P D
5
C4Q C 0.03621(9) 0.68188(9) 0.57379(9) 0.0459(10) Uani 0.3428(13) 1 d D U P D 5
C5Q C 0.09300(9) 0.71983(12) 0.55553(9) 0.0477(11) Uani 0.3428(13) 1 d D U P D
5
H5Q H 0.093344 0.777461 0.556289 0.057 Uiso 0.3428(13) 1 calc R U P D 5
C6Q C 0.14912(9) 0.68303(9) 0.53637(9) 0.0502(10) Uani 0.3428(13) 1 d D U P D 5
C7Q C 0.21200(10) 0.72427(8) 0.51915(9) 0.0537(10) Uani 0.3428(13) 1 d D U P D
5
C8Q C 0.25562(9) 0.66740(9) 0.50320(10) 0.0550(10) Uani 0.3428(13) 1 d D U P D
5
C9Q C 0.22127(10) 0.58966(8) 0.51089(11) 0.0511(10) Uani 0.3428(13) 1 d D U P D
5
C10Q C 0.25044(14) 0.51556(8) 0.49977(14) 0.0510(10) Uani 0.3428(13) 1 d D U P
D 5
H10Q H 0.294903 0.515552 0.484928 0.061 Uiso 0.3428(13) 1 calc R U P D 5
C11Q C 0.21943(10) 0.44207(8) 0.50876(11) 0.0514(10) Uani 0.3428(13) 1 d D U P
D 5
C12Q C 0.25182(9) 0.36350(9) 0.49879(10) 0.0553(10) Uani 0.3428(13) 1 d D U P D
5
C13Q C 0.20600(10) 0.30644(8) 0.51222(9) 0.0553(10) Uani 0.3428(13) 1 d D U P D
5
C14Q C 0.14520(9) 0.34847(9) 0.53134(9) 0.0506(10) Uani 0.3428(13) 1 d D U P D
5
C15Q C 0.08836(10) 0.30910(12) 0.54963(9) 0.0489(11) Uani 0.3428(13) 1 d D U P
D 5
H15Q H 0.087881 0.251466 0.548892 0.059 Uiso 0.3428(13) 1 calc R U P D 5
C16Q C 0.03241(9) 0.34769(9) 0.56883(9) 0.0459(9) Uani 0.3428(13) 1 d D U P D 5
C17Q C -0.02516(10) 0.30521(8) 0.59100(9) 0.0473(10) Uani 0.3428(13) 1 d D U P
D 5
C18Q C -0.06951(9) 0.36351(9) 0.60607(8) 0.0459(10) Uani 0.3428(13) 1 d D U P D
5
C19Q C -0.03922(10) 0.44053(8) 0.59362(9) 0.0426(9) Uani 0.3428(13) 1 d D U P D
5
C20Q C -0.06883(13) 0.51411(8) 0.60459(13) 0.0417(10) Uani 0.3428(13) 1 d D U P
D 5
H20Q H -0.113606 0.513848 0.619120 0.050 Uiso 0.3428(13) 1 calc R U P D 5
C21Q C -0.13160(11) 0.6722(2) 0.63836(8) 0.0476(12) Uani 0.3428(13) 1 d D U P D
5
H21C H -0.175005 0.633092 0.622332 0.057 Uiso 0.3428(13) 1 calc R U P D 5
H21D H -0.154500 0.727527 0.632233 0.057 Uiso 0.3428(13) 1 calc R U P D 5
C22Q C -0.1004(2) 0.6566(6) 0.69940(9) 0.051(2) Uani 0.3428(13) 1 d D U P D 5
H22D H -0.066242 0.608285 0.705777 0.077 Uiso 0.3428(13) 1 calc R U P D 5
H22E H -0.145881 0.648118 0.714498 0.077 Uiso 0.3428(13) 1 calc R U P D 5
H22F H -0.069244 0.703599 0.716990 0.077 Uiso 0.3428(13) 1 calc R U P D 5
C23Q C -0.02342(18) 0.81223(10) 0.60450(12) 0.0518(12) Uani 0.3428(13) 1 d D U
P D 5
H23C H -0.077972 0.828103 0.605610 0.062 Uiso 0.3428(13) 1 calc R U P D 5
H23D H -0.012140 0.839963 0.573173 0.062 Uiso 0.3428(13) 1 calc R U P D 5
C24Q C 0.0363(3) 0.8400(2) 0.65581(15) 0.063(2) Uani 0.3428(13) 1 d D U P D 5
H24D H 0.023807 0.814801 0.687104 0.094 Uiso 0.3428(13) 1 calc R U P D 5
H24E H 0.033642 0.899154 0.658712 0.094 Uiso 0.3428(13) 1 calc R U P D 5
H24F H 0.090427 0.824085 0.655053 0.094 Uiso 0.3428(13) 1 calc R U P D 5
C25Q C 0.2246(2) 0.81362(10) 0.52311(11) 0.0577(13) Uani 0.3428(13) 1 d D U P D
5
H25C H 0.173368 0.840932 0.504996 0.069 Uiso 0.3428(13) 1 calc R U P D 5
H25D H 0.264045 0.828670 0.503323 0.069 Uiso 0.3428(13) 1 calc R U P D 5
C26Q C 0.2540(7) 0.8446(2) 0.58075(12) 0.068(2) Uani 0.3428(13) 1 d D U P D 5
H26D H 0.209921 0.843377 0.597737 0.102 Uiso 0.3428(13) 1 calc R U P D 5
H26E H 0.273318 0.900468 0.580461 0.102 Uiso 0.3428(13) 1 calc R U P D 5
H26F H 0.297900 0.810098 0.601358 0.102 Uiso 0.3428(13) 1 calc R U P D 5
C27Q C 0.32834(11) 0.6780(2) 0.48309(11) 0.0589(13) Uani 0.3428(13) 1 d D U P D
5
H27C H 0.322196 0.727803 0.460749 0.071 Uiso 0.3428(13) 1 calc R U P D 5
H27D H 0.332691 0.631339 0.459767 0.071 Uiso 0.3428(13) 1 calc R U P D 5
C28Q C 0.40452(14) 0.6841(7) 0.52939(19) 0.0661(19) Uani 0.3428(13) 1 d D U P D
5
H28D H 0.448621 0.702716 0.515397 0.099 Uiso 0.3428(13) 1 calc R U P D 5
H28E H 0.417685 0.630704 0.546312 0.099 Uiso 0.3428(13) 1 calc R U P D 5
H28F H 0.396468 0.722853 0.556386 0.099 Uiso 0.3428(13) 1 calc R U P D 5
C29Q C 0.32302(11) 0.3524(2) 0.47672(11) 0.0600(13) Uani 0.3428(13) 1 d D U P D
5
H29C H 0.319573 0.391708 0.446995 0.072 Uiso 0.3428(13) 1 calc R U P D 5
H29D H 0.321658 0.297081 0.461421 0.072 Uiso 0.3428(13) 1 calc R U P D 5
C30Q C 0.40156(13) 0.3644(7) 0.5199(2) 0.0694(19) Uani 0.3428(13) 1 d D U P D 5
H30D H 0.445190 0.339799 0.507956 0.104 Uiso 0.3428(13) 1 calc R U P D 5
H30E H 0.398493 0.338648 0.553714 0.104 Uiso 0.3428(13) 1 calc R U P D 5
H30F H 0.411851 0.422590 0.526080 0.104 Uiso 0.3428(13) 1 calc R U P D 5
C31Q C 0.21582(18) 0.21554(10) 0.51244(12) 0.0600(14) Uani 0.3428(13) 1 d D U P
D 5
H31C H 0.248041 0.201089 0.487416 0.072 Uiso 0.3428(13) 1 calc R U P D 5
H31D H 0.162260 0.190439 0.498285 0.072 Uiso 0.3428(13) 1 calc R U P D 5
C32Q C 0.2557(6) 0.1797(2) 0.56771(14) 0.074(2) Uani 0.3428(13) 1 d D U P D 5
H32D H 0.311368 0.198489 0.580025 0.110 Uiso 0.3428(13) 1 calc R U P D 5
H32E H 0.254694 0.120390 0.565265 0.110 Uiso 0.3428(13) 1 calc R U P D 5
H32F H 0.226724 0.197196 0.593595 0.110 Uiso 0.3428(13) 1 calc R U P D 5
C33Q C -0.02846(18) 0.21512(10) 0.59725(12) 0.0502(12) Uani 0.3428(13) 1 d D U
P D 5
H33C H -0.015692 0.188657 0.566010 0.060 Uiso 0.3428(13) 1 calc R U P D 5
H33D H -0.083679 0.199243 0.596783 0.060 Uiso 0.3428(13) 1 calc R U P D 5
C34Q C 0.0294(4) 0.1849(2) 0.64927(15) 0.0601(19) Uani 0.3428(13) 1 d D U P D 5
H34D H 0.083492 0.181839 0.644642 0.090 Uiso 0.3428(13) 1 calc R U P D 5
H34E H 0.012709 0.130867 0.657919 0.090 Uiso 0.3428(13) 1 calc R U P D 5
H34F H 0.029267 0.222374 0.678899 0.090 Uiso 0.3428(13) 1 calc R U P D 5
C35Q C -0.13516(11) 0.3545(2) 0.63368(8) 0.0481(12) Uani 0.3428(13) 1 d D U P D
5
H35C H -0.158499 0.299380 0.626669 0.058 Uiso 0.3428(13) 1 calc R U P D 5
H35D H -0.178195 0.394176 0.618169 0.058 Uiso 0.3428(13) 1 calc R U P D 5
C36Q C -0.1040(2) 0.3679(6) 0.69501(9) 0.054(2) Uani 0.3428(13) 1 d D U P D 5
H36D H -0.141101 0.343069 0.713044 0.080 Uiso 0.3428(13) 1 calc R U P D 5
H36E H -0.100123 0.426272 0.702668 0.080 Uiso 0.3428(13) 1 calc R U P D 5
H36F H -0.050929 0.343052 0.708534 0.080 Uiso 0.3428(13) 1 calc R U P D 5


_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 N1A 1.920(14) . ?
Sc1A C6A 2.360(2) . ?
Sc1A C8A 2.360(2) . ?
Sc1A C1A 2.370(2) . ?
Sc1A C5A 2.3716(19) . ?
Sc1A C2A 2.406(2) . ?
Sc1A C3A 2.413(2) . ?
Sc1A C4A 2.4147(19) . ?
Sc1A C7A 2.444(2) . ?
Sc1A C56A 2.649(2) . ?
Sc1A C9A 2.6497(19) . ?
Sc1A C40A 2.764(2) . ?
Sc2A N1A 1.98(2) . ?
Sc2A C33A 2.2362(19) . ?
Sc2A C37A 2.2590(19) . ?
Sc2A C32A 2.287(2) . ?
Sc2A C34A 2.2997(19) . ?
Sc2A C38A 2.3211(18) . ?
Sc2A C36A 2.3365(17) . ?
Sc2A C62A 2.3871(19) . ?
Sc2A C35A 2.4067(18) . ?
Sc2A C31A 2.6321(18) . ?
Sc2A C29A 2.6443(17) . ?
Sc2A C39A 2.6854(17) . ?
Sc3A N1A 2.125(15) . ?
Sc3A C21A 2.230(2) . ?
Sc3A C22A 2.3272(19) . ?
Sc3A C20A 2.340(2) . ?
Sc3A C19A 2.369(2) . ?
Sc3A C23A 2.410(2) . ?
Sc3A C26A 2.4227(19) . ?
Sc3A C53A 2.471(2) . ?
Sc3A C25A 2.5414(19) . ?
Sc3A C24A 2.554(2) . ?
Sc3A C18A 2.705(2) . ?
Sc3A C27A 2.723(2) . ?
C1A C5A 1.4188(14) . ?
C1A C8A 1.4210(15) . ?
C1A C2A 1.4240(14) . ?
C2A C3A 1.4188(14) . ?
C2A C57A 1.4246(14) . ?
C3A C4A 1.4210(14) . ?
C3A C40A 1.4373(13) . ?
C4A C5A 1.4234(14) . ?
C4A C43A 1.4342(14) . ?
C5A C6A 1.4227(15) . ?
C6A C7A 1.4236(14) . ?
C6A C56A 1.4257(14) . ?
C7A C8A 1.4226(14) . ?
C7A C12A 1.4341(16) . ?
C8A C9A 1.4309(14) . ?
C9A C58A 1.4328(18) . ?
C9A C10A 1.4422(17) . ?
C10A C70A 1.4143(15) . ?
C10A C11A 1.4171(16) . ?
C11A C16A 1.4198(16) . ?
C11A C12A 1.4457(18) . ?
C12A C13A 1.4464(18) . ?
C13A C55A 1.4133(18) . ?
C13A C14A 1.4169(17) . ?
C14A C52A 1.4168(18) . ?
C14A C15A 1.4477(17) . ?
C15A C20A 1.4401(16) . ?
C15A C16A 1.4452(17) . ?
C16A C17A 1.4214(16) . ?
C17A C70A 1.4171(16) . ?
C17A C18A 1.4428(16) . ?
C18A C19A 1.4412(16) . ?
C18A C67A 1.4417(15) . ?
C19A C23A 1.4306(14) . ?
C19A C20A 1.4313(14) . ?
C20A C21A 1.4297(14) . ?
C21A C22A 1.4280(14) . ?
C21A C53A 1.4429(16) . ?
C22A C23A 1.4256(15) . ?
C22A C26A 1.4301(14) . ?
C23A C24A 1.4304(14) . ?
C24A C25A 1.4287(14) . ?
C24A C66A 1.4522(15) . ?
C25A C26A 1.4265(14) . ?
C25A C30A 1.4517(16) . ?
C26A C27A 1.4471(17) . ?
C27A C54A 1.4088(16) . ?
C27A C28A 1.4137(16) . ?
C28A C48A 1.4122(15) . ?
C28A C29A 1.4509(17) . ?
C29A C34A 1.4543(16) . ?
C29A C30A 1.4564(15) . ?
C30A C31A 1.4597(15) . ?
C31A C32A 1.4493(16) . ?
C31A C65A 1.4517(17) . ?
C32A C62A 1.4311(14) . ?
C32A C33A 1.4398(14) . ?
C33A C37A 1.4275(14) . ?
C33A C34A 1.4382(14) . ?
C34A C35A 1.4311(13) . ?
C35A C36A 1.4289(13) . ?
C35A C47A 1.4329(17) . ?
C36A C37A 1.4337(14) . ?
C36A C41A 1.4483(16) . ?
C37A C38A 1.4318(14) . ?
C38A C62A 1.4277(13) . ?
C38A C39A 1.4489(16) . ?
C39A C40A 1.4299(15) . ?
C39A C61A 1.4411(17) . ?
C40A C41A 1.4359(15) . ?
C41A C42A 1.4466(17) . ?
C42A C43A 1.4124(14) . ?
C42A C46A 1.4163(16) . ?
C43A C44A 1.4103(16) . ?
C44A C45A 1.4149(15) . ?
C44A C56A 1.4370(18) . ?
C45A C46A 1.4170(16) . ?
C45A C50A 1.4400(19) . ?
C46A C47A 1.4392(17) . ?
C47A C48A 1.4389(17) . ?
C48A C49A 1.4148(16) . ?
C49A C54A 1.4106(16) . ?
C49A C50A 1.4356(16) . ?
C50A C51A 1.441(2) . ?
C51A C55A 1.4100(17) . ?
C51A C52A 1.4106(17) . ?
C52A C53A 1.4393(17) . ?
C53A C54A 1.4377(17) . ?
C55A C56A 1.4484(17) . ?
C57A C58A 1.4111(15) . ?
C57A C61A 1.4153(14) . ?
C58A C59A 1.4150(15) . ?
C59A C60A 1.4160(16) . ?
C59A C69A 1.4308(18) . ?
C60A C61A 1.4144(16) . ?
C60A C63A 1.4393(17) . ?
C62A C63A 1.4300(17) . ?
C63A C64A 1.4348(17) . ?
C64A C65A 1.4131(15) . ?
C64A C68A 1.4134(16) . ?
C65A C66A 1.4184(16) . ?
C66A C67A 1.4138(13) . ?
C67A C68A 1.4155(15) . ?
C68A C69A 1.4394(16) . ?
C69A C70A 1.4389(18) . ?
Sc1B N1B 2.10(2) . ?
Sc1B C6B 2.349(2) . ?
Sc1B C8B 2.362(2) . ?
Sc1B C5B 2.372(2) . ?
Sc1B C1B 2.378(2) . ?
Sc1B C4B 2.419(2) . ?
Sc1B C2B 2.422(2) . ?
Sc1B C3B 2.427(3) . ?
Sc1B C7B 2.435(3) . ?
Sc1B C56B 2.633(2) . ?
Sc1B C9B 2.656(2) . ?
Sc1B C43B 2.767(2) . ?
Sc2B N1B 1.95(2) . ?
Sc2B C33B 2.231(2) . ?
Sc2B C37B 2.265(2) . ?
Sc2B C34B 2.273(2) . ?
Sc2B C32B 2.297(2) . ?
Sc2B C36B 2.328(2) . ?
Sc2B C38B 2.348(2) . ?
Sc2B C35B 2.379(2) . ?
Sc2B C62B 2.416(2) . ?
Sc2B C29B 2.614(2) . ?
Sc2B C31B 2.6339(19) . ?
Sc2B C41B 2.7029(19) . ?
Sc3B N1B 1.96(2) . ?
Sc3B C19B 2.187(3) . ?
Sc3B C23B 2.313(2) . ?
Sc3B C20B 2.326(2) . ?
Sc3B C18B 2.395(3) . ?
Sc3B C21B 2.397(2) . ?
Sc3B C24B 2.412(2) . ?
Sc3B C22B 2.438(2) . ?
Sc3B C25B 2.567(2) . ?
Sc3B C26B 2.600(3) . ?
Sc3B C66B 2.686(3) . ?
Sc3B C67B 2.719(3) . ?
C1B C5B 1.4188(14) . ?
C1B C8B 1.4210(15) . ?
C1B C2B 1.4240(14) . ?
C2B C3B 1.4188(13) . ?
C2B C57B 1.4246(14) . ?
C3B C4B 1.4210(14) . ?
C3B C40B 1.4373(13) . ?
C4B C5B 1.4234(14) . ?
C4B C43B 1.4342(14) . ?
C5B C6B 1.4227(15) . ?
C6B C7B 1.4236(14) . ?
C6B C56B 1.4257(14) . ?
C7B C8B 1.4226(14) . ?
C7B C12B 1.4341(16) . ?
C8B C9B 1.4309(14) . ?
C9B C58B 1.4328(18) . ?
C9B C10B 1.4422(17) . ?
C10B C70B 1.4143(16) . ?
C10B C11B 1.4171(16) . ?
C11B C16B 1.4198(16) . ?
C11B C12B 1.4457(18) . ?
C12B C13B 1.4464(18) . ?
C13B C55B 1.4133(18) . ?
C13B C14B 1.4169(17) . ?
C14B C52B 1.4168(18) . ?
C14B C15B 1.4477(17) . ?
C15B C20B 1.4401(16) . ?
C15B C16B 1.4452(17) . ?
C16B C17B 1.4214(17) . ?
C17B C70B 1.4171(16) . ?
C17B C18B 1.4428(16) . ?
C18B C19B 1.4412(16) . ?
C18B C67B 1.4417(14) . ?
C19B C23B 1.4306(14) . ?
C19B C20B 1.4313(14) . ?
C20B C21B 1.4297(14) . ?
C21B C22B 1.4280(14) . ?
C21B C53B 1.4429(16) . ?
C22B C23B 1.4256(15) . ?
C22B C26B 1.4301(15) . ?
C23B C24B 1.4304(14) . ?
C24B C25B 1.4287(14) . ?
C24B C66B 1.4522(15) . ?
C25B C26B 1.4265(14) . ?
C25B C30B 1.4517(17) . ?
C26B C27B 1.4471(17) . ?
C27B C54B 1.4088(16) . ?
C27B C28B 1.4137(17) . ?
C28B C48B 1.4122(15) . ?
C28B C29B 1.4509(17) . ?
C29B C34B 1.4543(16) . ?
C29B C30B 1.4564(15) . ?
C30B C31B 1.4597(15) . ?
C31B C32B 1.4493(16) . ?
C31B C65B 1.4517(17) . ?
C32B C62B 1.4311(13) . ?
C32B C33B 1.4398(14) . ?
C33B C37B 1.4275(14) . ?
C33B C34B 1.4382(14) . ?
C34B C35B 1.4311(14) . ?
C35B C36B 1.4289(13) . ?
C35B C47B 1.4329(17) . ?
C36B C37B 1.4337(14) . ?
C36B C41B 1.4483(16) . ?
C37B C38B 1.4318(14) . ?
C38B C62B 1.4277(13) . ?
C38B C39B 1.4489(16) . ?
C39B C40B 1.4299(15) . ?
C39B C61B 1.4411(17) . ?
C40B C41B 1.4359(15) . ?
C41B C42B 1.4466(17) . ?
C42B C43B 1.4124(14) . ?
C42B C46B 1.4163(16) . ?
C43B C44B 1.4103(16) . ?
C44B C45B 1.4149(15) . ?
C44B C56B 1.4370(18) . ?
C45B C46B 1.4170(16) . ?
C45B C50B 1.4400(19) . ?
C46B C47B 1.4392(17) . ?
C47B C48B 1.4389(17) . ?
C48B C49B 1.4148(16) . ?
C49B C54B 1.4106(17) . ?
C49B C50B 1.4356(16) . ?
C50B C51B 1.441(2) . ?
C51B C55B 1.4100(17) . ?
C51B C52B 1.4106(18) . ?
C52B C53B 1.4393(17) . ?
C53B C54B 1.4377(17) . ?
C55B C56B 1.4484(17) . ?
C57B C58B 1.4111(16) . ?
C57B C61B 1.4153(14) . ?
C58B C59B 1.4150(15) . ?
C59B C60B 1.4160(16) . ?
C59B C69B 1.4308(18) . ?
C60B C61B 1.4144(16) . ?
C60B C63B 1.4393(17) . ?
C62B C63B 1.4300(17) . ?
C63B C64B 1.4348(17) . ?
C64B C65B 1.4131(15) . ?
C64B C68B 1.4134(16) . ?
C65B C66B 1.4184(16) . ?
C66B C67B 1.4138(13) . ?
C67B C68B 1.4155(15) . ?
C68B C69B 1.4394(16) . ?
C69B C70B 1.4389(18) . ?
C1S C2S 1.30(2) . ?
C1S C3S 1.40(3) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.39(3) 3_756 ?
C2S H2S 0.9500 . ?
C3S H3S 0.9500 . ?
C4S C5S 1.369(9) . ?
C4S C9S 1.373(10) . ?
C4S C10S 1.57(2) . ?
C5S C6S 1.451(11) . ?
C5S H5S 0.9500 . ?
C6S C7S 1.337(9) . ?
C6S H6S 0.9500 . ?
C7S C8S 1.356(9) . ?
C7S H7S 0.9500 . ?
C8S C9S 1.431(11) . ?
C8S H8S 0.9500 . ?
C9S H9S 0.9500 . ?
C10S H10A 0.9800 . ?
C10S H10B 0.9800 . ?
C10S H10C 0.9800 . ?
Ni1P N3P 1.9393(14) . ?
Ni1P N4P 1.9566(14) . ?
Ni1P N2P 1.9582(14) . ?
Ni1P N1P 1.9599(14) . ?
N1P C1P 1.379(2) . ?
N1P C4P 1.3868(19) . ?
N2P C9P 1.387(2) . ?
N2P C6P 1.3887(19) . ?
N3P C11P 1.386(2) . ?
N3P C14P 1.3920(19) . ?
N4P C19P 1.373(2) . ?
N4P C16P 1.3867(18) . ?
C1P C20P 1.372(2) . ?
C1P C2P 1.436(2) . ?
C2P C3P 1.353(2) . ?
C2P C21P 1.502(2) . ?
C3P C4P 1.448(2) . ?
C3P C23P 1.496(2) . ?
C4P C5P 1.355(2) . ?
C5P C6P 1.350(2) . ?
C5P H5P 0.9500 . ?
C6P C7P 1.454(2) . ?
C7P C8P 1.338(2) . ?
C7P C25P 1.488(2) . ?
C8P C9P 1.449(2) . ?
C8P C27P 1.499(2) . ?
C9P C10P 1.382(2) . ?
C10P C11P 1.371(2) . ?
C10P H10P 0.9500 . ?
C11P C12P 1.462(2) . ?
C12P C13P 1.337(2) . ?
C12P C29P 1.506(2) . ?
C13P C14P 1.456(2) . ?
C13P C31P 1.508(2) . ?
C14P C15P 1.367(2) . ?
C15P C16P 1.362(2) . ?
C15P H15P 0.9500 . ?
C16P C17P 1.458(2) . ?
C17P C18P 1.352(2) . ?
C17P C33P 1.496(2) . ?
C18P C19P 1.443(2) . ?
C18P C35P 1.506(2) . ?
C19P C20P 1.376(2) . ?
C20P H20P 0.9500 . ?
C21P C22P 1.531(2) . ?
C21P H21A 0.9900 . ?
C21P H21B 0.9900 . ?
C22P H22A 0.9800 . ?
C22P H22B 0.9800 . ?
C22P H22C 0.9800 . ?
C23P C24P 1.504(3) . ?
C23P H23A 0.9900 . ?
C23P H23B 0.9900 . ?
C24P H24A 0.9800 . ?
C24P H24B 0.9800 . ?
C24P H24C 0.9800 . ?
C25P C26P 1.514(3) . ?
C25P H25A 0.9900 . ?
C25P H25B 0.9900 . ?
C26P H26A 0.9800 . ?
C26P H26B 0.9800 . ?
C26P H26C 0.9800 . ?
C27P C28P 1.517(3) . ?
C27P H27A 0.9900 . ?
C27P H27B 0.9900 . ?
C28P H28A 0.9800 . ?
C28P H28B 0.9800 . ?
C28P H28C 0.9800 . ?
C29P C30P 1.513(3) . ?
C29P H29A 0.9900 . ?
C29P H29B 0.9900 . ?
C30P H30A 0.9800 . ?
C30P H30B 0.9800 . ?
C30P H30C 0.9800 . ?
C31P C32P 1.515(3) . ?
C31P H31A 0.9900 . ?
C31P H31B 0.9900 . ?
C32P H32A 0.9800 . ?
C32P H32B 0.9800 . ?
C32P H32C 0.9800 . ?
C33P C34P 1.515(4) . ?
C33P H33A 0.9900 . ?
C33P H33B 0.9900 . ?
C34P H34A 0.9800 . ?
C34P H34B 0.9800 . ?
C34P H34C 0.9800 . ?
C35P C36P 1.532(3) . ?
C35P H35A 0.9900 . ?
C35P H35B 0.9900 . ?
C36P H36A 0.9800 . ?
C36P H36B 0.9800 . ?
C36P H36C 0.9800 . ?
Ni1Q N3Q 1.9393(14) . ?
Ni1Q N4Q 1.9566(14) . ?
Ni1Q N2Q 1.9582(14) . ?
Ni1Q N1Q 1.9599(14) . ?
N1Q C1Q 1.379(2) . ?
N1Q C4Q 1.3868(19) . ?
N2Q C9Q 1.387(2) . ?
N2Q C6Q 1.3887(19) . ?
N3Q C11Q 1.386(2) . ?
N3Q C14Q 1.3920(19) . ?
N4Q C19Q 1.373(2) . ?
N4Q C16Q 1.3867(18) . ?
C1Q C20Q 1.372(2) . ?
C1Q C2Q 1.436(2) . ?
C2Q C3Q 1.353(2) . ?
C2Q C21Q 1.502(2) . ?
C3Q C4Q 1.448(2) . ?
C3Q C23Q 1.495(2) . ?
C4Q C5Q 1.355(2) . ?
C5Q C6Q 1.350(2) . ?
C5Q H5Q 0.9500 . ?
C6Q C7Q 1.454(2) . ?
C7Q C8Q 1.338(2) . ?
C7Q C25Q 1.488(2) . ?
C8Q C9Q 1.449(2) . ?
C8Q C27Q 1.499(2) . ?
C9Q C10Q 1.382(2) . ?
C10Q C11Q 1.371(2) . ?
C10Q H10Q 0.9500 . ?
C11Q C12Q 1.462(2) . ?
C12Q C13Q 1.337(2) . ?
C12Q C29Q 1.506(2) . ?
C13Q C14Q 1.456(2) . ?
C13Q C31Q 1.508(2) . ?
C14Q C15Q 1.367(2) . ?
C15Q C16Q 1.362(2) . ?
C15Q H15Q 0.9500 . ?
C16Q C17Q 1.458(2) . ?
C17Q C18Q 1.352(2) . ?
C17Q C33Q 1.496(2) . ?
C18Q C19Q 1.443(2) . ?
C18Q C35Q 1.506(2) . ?
C19Q C20Q 1.376(2) . ?
C20Q H20Q 0.9500 . ?
C21Q C22Q 1.531(2) . ?
C21Q H21C 0.9900 . ?
C21Q H21D 0.9900 . ?
C22Q H22D 0.9800 . ?
C22Q H22E 0.9800 . ?
C22Q H22F 0.9800 . ?
C23Q C24Q 1.504(3) . ?
C23Q H23C 0.9900 . ?
C23Q H23D 0.9900 . ?
C24Q H24D 0.9800 . ?
C24Q H24E 0.9800 . ?
C24Q H24F 0.9800 . ?
C25Q C26Q 1.514(3) . ?
C25Q H25C 0.9900 . ?
C25Q H25D 0.9900 . ?
C26Q H26D 0.9800 . ?
C26Q H26E 0.9800 . ?
C26Q H26F 0.9800 . ?
C27Q C28Q 1.517(3) . ?
C27Q H27C 0.9900 . ?
C27Q H27D 0.9900 . ?
C28Q H28D 0.9800 . ?
C28Q H28E 0.9800 . ?
C28Q H28F 0.9800 . ?
C29Q C30Q 1.513(3) . ?
C29Q H29C 0.9900 . ?
C29Q H29D 0.9900 . ?
C30Q H30D 0.9800 . ?
C30Q H30E 0.9800 . ?
C30Q H30F 0.9800 . ?
C31Q C32Q 1.515(3) . ?
C31Q H31C 0.9900 . ?
C31Q H31D 0.9900 . ?
C32Q H32D 0.9800 . ?
C32Q H32E 0.9800 . ?
C32Q H32F 0.9800 . ?
C33Q C34Q 1.515(4) . ?
C33Q H33C 0.9900 . ?
C33Q H33D 0.9900 . ?
C34Q H34D 0.9800 . ?
C34Q H34E 0.9800 . ?
C34Q H34F 0.9800 . ?
C35Q C36Q 1.532(3) . ?
C35Q H35C 0.9900 . ?
C35Q H35D 0.9900 . ?
C36Q H36D 0.9800 . ?
C36Q H36E 0.9800 . ?
C36Q H36F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1A Sc1A C6A 132.1(6) . . ?
N1A Sc1A C8A 133.9(6) . . ?
C6A Sc1A C8A 58.29(5) . . ?
N1A Sc1A C1A 163.7(5) . . ?
C6A Sc1A C1A 58.15(5) . . ?
C8A Sc1A C1A 34.96(4) . . ?
N1A Sc1A C5A 161.1(6) . . ?
C6A Sc1A C5A 35.00(4) . . ?
C8A Sc1A C5A 58.12(5) . . ?
C1A Sc1A C5A 34.82(4) . . ?
N1A Sc1A C2A 138.2(6) . . ?
C6A Sc1A C2A 89.69(6) . . ?
C8A Sc1A C2A 61.95(5) . . ?
C1A Sc1A C2A 34.69(4) . . ?
C5A Sc1A C2A 57.52(5) . . ?
N1A Sc1A C3A 126.8(6) . . ?
C6A Sc1A C3A 91.60(6) . . ?
C8A Sc1A C3A 91.58(6) . . ?
C1A Sc1A C3A 57.52(5) . . ?
C5A Sc1A C3A 57.51(5) . . ?
C2A Sc1A C3A 34.25(4) . . ?
N1A Sc1A C4A 136.5(5) . . ?
C6A Sc1A C4A 61.91(5) . . ?
C8A Sc1A C4A 89.55(6) . . ?
C1A Sc1A C4A 57.42(5) . . ?
C5A Sc1A C4A 34.59(4) . . ?
C2A Sc1A C4A 56.88(5) . . ?
C3A Sc1A C4A 34.24(4) . . ?
N1A Sc1A C7A 122.2(6) . . ?
C6A Sc1A C7A 34.42(4) . . ?
C8A Sc1A C7A 34.39(4) . . ?
C1A Sc1A C7A 57.01(6) . . ?
C5A Sc1A C7A 57.03(5) . . ?
C2A Sc1A C7A 90.95(7) . . ?
C3A Sc1A C7A 110.97(7) . . ?
C4A Sc1A C7A 90.88(6) . . ?
N1A Sc1A C56A 104.0(6) . . ?
C6A Sc1A C56A 32.42(4) . . ?
C8A Sc1A C56A 88.83(7) . . ?
C1A Sc1A C56A 89.07(6) . . ?
C5A Sc1A C56A 58.52(5) . . ?
C2A Sc1A C56A 115.82(6) . . ?
C3A Sc1A C56A 102.45(6) . . ?
C4A Sc1A C56A 68.24(5) . . ?
C7A Sc1A C56A 57.81(5) . . ?
N1A Sc1A C9A 106.2(5) . . ?
C6A Sc1A C9A 88.94(7) . . ?
C8A Sc1A C9A 32.54(4) . . ?
C1A Sc1A C9A 58.57(5) . . ?
C5A Sc1A C9A 89.15(6) . . ?
C2A Sc1A C9A 68.23(5) . . ?
C3A Sc1A C9A 102.45(7) . . ?
C4A Sc1A C9A 115.77(7) . . ?
C7A Sc1A C9A 57.87(5) . . ?
C56A Sc1A C9A 115.58(8) . . ?
N1A Sc1A C40A 95.5(6) . . ?
C6A Sc1A C40A 118.51(7) . . ?
C8A Sc1A C40A 118.51(7) . . ?
C1A Sc1A C40A 87.20(6) . . ?
C5A Sc1A C40A 87.18(6) . . ?
C2A Sc1A C40A 56.57(5) . . ?
C3A Sc1A C40A 31.31(4) . . ?
C4A Sc1A C40A 56.61(5) . . ?
C7A Sc1A C40A 142.27(7) . . ?
C56A Sc1A C40A 115.96(6) . . ?
C9A Sc1A C40A 115.93(7) . . ?
N1A Sc2A C33A 166.7(4) . . ?
N1A Sc2A C37A 156.1(4) . . ?
C33A Sc2A C37A 37.03(4) . . ?
N1A Sc2A C32A 137.2(4) . . ?
C33A Sc2A C32A 37.10(4) . . ?
C37A Sc2A C32A 61.34(5) . . ?
N1A Sc2A C34A 134.6(6) . . ?
C33A Sc2A C34A 36.94(4) . . ?
C37A Sc2A C34A 61.13(5) . . ?
C32A Sc2A C34A 65.82(5) . . ?
N1A Sc2A C38A 130.2(6) . . ?
C33A Sc2A C38A 61.04(5) . . ?
C37A Sc2A C38A 36.40(4) . . ?
C32A Sc2A C38A 60.38(5) . . ?
C34A Sc2A C38A 94.64(6) . . ?
N1A Sc2A C36A 128.0(3) . . ?
C33A Sc2A C36A 60.85(5) . . ?
C37A Sc2A C36A 36.31(4) . . ?
C32A Sc2A C36A 94.68(6) . . ?
C34A Sc2A C36A 60.03(5) . . ?
C38A Sc2A C36A 64.30(5) . . ?
N1A Sc2A C62A 123.6(5) . . ?
C33A Sc2A C62A 60.01(5) . . ?
C37A Sc2A C62A 59.60(5) . . ?
C32A Sc2A C62A 35.58(4) . . ?
C34A Sc2A C62A 96.10(6) . . ?
C38A Sc2A C62A 35.27(4) . . ?
C36A Sc2A C62A 94.85(6) . . ?
N1A Sc2A C35A 120.4(5) . . ?
C33A Sc2A C35A 59.67(5) . . ?
C37A Sc2A C35A 59.30(5) . . ?
C32A Sc2A C35A 95.91(6) . . ?
C34A Sc2A C35A 35.31(4) . . ?
C38A Sc2A C35A 94.64(5) . . ?
C36A Sc2A C35A 35.03(4) . . ?
C62A Sc2A C35A 115.58(6) . . ?
N1A Sc2A C31A 108.5(3) . . ?
C33A Sc2A C31A 61.14(5) . . ?
C37A Sc2A C31A 93.30(6) . . ?
C32A Sc2A C31A 33.34(4) . . ?
C34A Sc2A C31A 71.48(5) . . ?
C38A Sc2A C31A 91.40(6) . . ?
C36A Sc2A C31A 121.81(6) . . ?
C62A Sc2A C31A 59.11(5) . . ?
C35A Sc2A C31A 106.78(6) . . ?
N1A Sc2A C29A 106.9(5) . . ?
C33A Sc2A C29A 60.97(5) . . ?
C37A Sc2A C29A 93.08(6) . . ?
C32A Sc2A C29A 71.42(5) . . ?
C34A Sc2A C29A 33.29(4) . . ?
C38A Sc2A C29A 121.86(6) . . ?
C36A Sc2A C29A 90.97(5) . . ?
C62A Sc2A C29A 106.99(6) . . ?
C35A Sc2A C29A 58.84(4) . . ?
C31A Sc2A C29A 56.88(4) . . ?
N1A Sc2A C39A 100.3(5) . . ?
C33A Sc2A C39A 92.19(6) . . ?
C37A Sc2A C39A 59.73(5) . . ?
C32A Sc2A C39A 90.72(6) . . ?
C34A Sc2A C39A 120.57(6) . . ?
C38A Sc2A C39A 32.62(4) . . ?
C36A Sc2A C39A 69.41(4) . . ?
C62A Sc2A C39A 58.15(5) . . ?
C35A Sc2A C39A 104.40(5) . . ?
C31A Sc2A C39A 116.96(6) . . ?
C29A Sc2A C39A 152.61(6) . . ?
N1A Sc3A C21A 139.6(5) . . ?
N1A Sc3A C22A 167.6(5) . . ?
C21A Sc3A C22A 36.44(4) . . ?
N1A Sc3A C20A 125.8(6) . . ?
C21A Sc3A C20A 36.36(4) . . ?
C22A Sc3A C20A 59.35(5) . . ?
N1A Sc3A C19A 132.5(5) . . ?
C21A Sc3A C19A 60.25(5) . . ?
C22A Sc3A C19A 58.96(5) . . ?
C20A Sc3A C19A 35.39(4) . . ?
N1A Sc3A C23A 156.8(5) . . ?
C21A Sc3A C23A 59.55(5) . . ?
C22A Sc3A C23A 34.97(4) . . ?
C20A Sc3A C23A 58.22(5) . . ?
C19A Sc3A C23A 34.82(4) . . ?
N1A Sc3A C26A 136.4(6) . . ?
C21A Sc3A C26A 64.03(5) . . ?
C22A Sc3A C26A 34.97(4) . . ?
C20A Sc3A C26A 93.88(6) . . ?
C19A Sc3A C26A 89.82(5) . . ?
C23A Sc3A C26A 57.06(5) . . ?
N1A Sc3A C53A 108.9(5) . . ?
C21A Sc3A C53A 35.28(5) . . ?
C22A Sc3A C53A 62.17(6) . . ?
C20A Sc3A C53A 62.01(6) . . ?
C19A Sc3A C53A 93.70(6) . . ?
C23A Sc3A C53A 93.12(6) . . ?
C26A Sc3A C53A 71.60(6) . . ?
N1A Sc3A C25A 122.1(6) . . ?
C21A Sc3A C25A 92.31(6) . . ?
C22A Sc3A C25A 56.59(5) . . ?
C20A Sc3A C25A 111.27(6) . . ?
C19A Sc3A C25A 89.20(6) . . ?
C23A Sc3A C25A 55.69(5) . . ?
C26A Sc3A C25A 33.29(4) . . ?
C53A Sc3A C25A 104.85(6) . . ?
N1A Sc3A C24A 130.6(5) . . ?
C21A Sc3A C24A 89.76(6) . . ?
C22A Sc3A C24A 56.26(5) . . ?
C20A Sc3A C24A 90.65(6) . . ?
C19A Sc3A C24A 60.23(5) . . ?
C23A Sc3A C24A 33.34(4) . . ?
C26A Sc3A C24A 55.11(5) . . ?
C53A Sc3A C24A 118.11(6) . . ?
C25A Sc3A C24A 32.57(4) . . ?
N1A Sc3A C18A 103.1(5) . . ?
C21A Sc3A C18A 90.73(6) . . ?
C22A Sc3A C18A 89.19(6) . . ?
C20A Sc3A C18A 58.32(5) . . ?
C19A Sc3A C18A 32.14(4) . . ?
C23A Sc3A C18A 57.72(5) . . ?
C26A Sc3A C18A 114.11(6) . . ?
C53A Sc3A C18A 120.27(6) . . ?
C25A Sc3A C18A 98.43(7) . . ?
C24A Sc3A C18A 66.00(5) . . ?
N1A Sc3A C27A 110.2(5) . . ?
C21A Sc3A C27A 69.74(6) . . ?
C22A Sc3A C27A 58.07(5) . . ?
C20A Sc3A C27A 106.04(7) . . ?
C19A Sc3A C27A 117.03(6) . . ?
C23A Sc3A C27A 87.82(6) . . ?
C26A Sc3A C27A 31.99(4) . . ?
C53A Sc3A C27A 56.55(5) . . ?
C25A Sc3A C27A 56.16(4) . . ?
C24A Sc3A C27A 85.19(6) . . ?
C18A Sc3A C27A 145.54(6) . . ?
Sc1A N1A Sc2A 107.2(8) . . ?
Sc1A N1A Sc3A 151.2(12) . . ?
Sc2A N1A Sc3A 101.7(7) . . ?
C5A C1A C8A 108.07(9) . . ?
C5A C1A C2A 107.92(8) . . ?
C8A C1A C2A 119.14(9) . . ?
C5A C1A Sc1A 72.65(7) . . ?
C8A C1A Sc1A 72.13(8) . . ?
C2A C1A Sc1A 74.03(8) . . ?
C3A C2A C1A 108.13(8) . . ?
C3A C2A C57A 119.96(8) . . ?
C1A C2A C57A 119.16(9) . . ?
C3A C2A Sc1A 73.16(8) . . ?
C1A C2A Sc1A 71.28(8) . . ?
C57A C2A Sc1A 88.56(8) . . ?
C2A C3A C4A 107.89(8) . . ?
C2A C3A C40A 119.74(9) . . ?
C4A C3A C40A 119.95(9) . . ?
C2A C3A Sc1A 72.60(8) . . ?
C4A C3A Sc1A 72.94(9) . . ?
C40A C3A Sc1A 87.95(10) . . ?
C3A C4A C5A 108.07(8) . . ?
C3A C4A C43A 119.66(8) . . ?
C5A C4A C43A 118.90(9) . . ?
C3A C4A Sc1A 72.82(9) . . ?
C5A C4A Sc1A 71.05(8) . . ?
C43A C4A Sc1A 88.24(8) . . ?
C1A C5A C6A 107.98(9) . . ?
C1A C5A C4A 107.96(8) . . ?
C6A C5A C4A 119.31(9) . . ?
C1A C5A Sc1A 72.53(7) . . ?
C6A C5A Sc1A 72.04(8) . . ?
C4A C5A Sc1A 74.36(8) . . ?
C5A C6A C7A 107.81(8) . . ?
C5A C6A C56A 119.93(9) . . ?
C7A C6A C56A 120.06(9) . . ?
C5A C6A Sc1A 72.96(8) . . ?
C7A C6A Sc1A 76.04(7) . . ?
C56A C6A Sc1A 85.03(8) . . ?
C8A C7A C6A 107.73(9) . . ?
C8A C7A C12A 119.98(9) . . ?
C6A C7A C12A 119.98(9) . . ?
C8A C7A Sc1A 69.56(7) . . ?
C6A C7A Sc1A 69.54(7) . . ?
C12A C7A Sc1A 94.26(11) . . ?
C1A C8A C7A 107.87(8) . . ?
C1A C8A C9A 119.81(9) . . ?
C7A C8A C9A 120.00(9) . . ?
C1A C8A Sc1A 72.90(7) . . ?
C7A C8A Sc1A 76.05(8) . . ?
C9A C8A Sc1A 84.94(7) . . ?
C8A C9A C58A 119.01(8) . . ?
C8A C9A C10A 118.01(9) . . ?
C58A C9A C10A 118.99(8) . . ?
C8A C9A Sc1A 62.52(7) . . ?
C58A C9A Sc1A 85.73(9) . . ?
C10A C9A Sc1A 102.44(9) . . ?
C70A C10A C11A 107.97(9) . . ?
C70A C10A C9A 120.09(10) . . ?
C11A C10A C9A 120.19(11) . . ?
C10A C11A C16A 108.01(10) . . ?
C10A C11A C12A 119.67(12) . . ?
C16A C11A C12A 120.44(10) . . ?
C7A C12A C11A 118.50(10) . . ?
C7A C12A C13A 118.48(10) . . ?
C11A C12A C13A 119.06(9) . . ?
C55A C13A C14A 108.01(11) . . ?
C55A C13A C12A 119.78(12) . . ?
C14A C13A C12A 120.45(10) . . ?
C52A C14A C13A 107.71(11) . . ?
C52A C14A C15A 119.69(11) . . ?
C13A C14A C15A 120.36(10) . . ?
C20A C15A C16A 118.67(9) . . ?
C20A C15A C14A 118.55(9) . . ?
C16A C15A C14A 119.13(9) . . ?
C20A C15A Sc3A 56.78(8) . . ?
C16A C15A Sc3A 99.67(10) . . ?
C14A C15A Sc3A 94.63(10) . . ?
C11A C16A C17A 107.83(10) . . ?
C11A C16A C15A 120.30(10) . . ?
C17A C16A C15A 119.62(11) . . ?
C70A C17A C16A 107.79(10) . . ?
C70A C17A C18A 120.10(10) . . ?
C16A C17A C18A 120.11(11) . . ?
C19A C18A C67A 119.13(8) . . ?
C19A C18A C17A 118.26(9) . . ?
C67A C18A C17A 119.01(9) . . ?
C19A C18A Sc3A 60.97(8) . . ?
C67A C18A Sc3A 89.71(8) . . ?
C17A C18A Sc3A 100.77(10) . . ?
C23A C19A C20A 107.77(8) . . ?
C23A C19A C18A 119.64(9) . . ?
C20A C19A C18A 119.31(11) . . ?
C23A C19A Sc3A 74.18(8) . . ?
C20A C19A Sc3A 71.21(10) . . ?
C18A C19A Sc3A 86.89(10) . . ?
C21A C20A C19A 107.78(8) . . ?
C21A C20A C15A 119.86(11) . . ?
C19A C20A C15A 119.93(10) . . ?
C21A C20A Sc3A 67.64(9) . . ?
C19A C20A Sc3A 73.40(9) . . ?
C15A C20A Sc3A 92.24(10) . . ?
C22A C21A C20A 107.91(8) . . ?
C22A C21A C53A 119.53(10) . . ?
C20A C21A C53A 119.43(10) . . ?
C22A C21A Sc3A 75.48(9) . . ?
C20A C21A Sc3A 76.00(9) . . ?
C53A C21A Sc3A 81.50(10) . . ?
C23A C22A C21A 108.08(8) . . ?
C23A C22A C26A 107.86(9) . . ?
C21A C22A C26A 119.74(11) . . ?
C23A C22A Sc3A 75.70(9) . . ?
C21A C22A Sc3A 68.08(9) . . ?
C26A C22A Sc3A 76.16(8) . . ?
C22A C23A C24A 107.95(9) . . ?
C22A C23A C19A 108.03(8) . . ?
C24A C23A C19A 119.79(10) . . ?
C22A C23A Sc3A 69.33(8) . . ?
C24A C23A Sc3A 78.85(9) . . ?
C19A C23A Sc3A 71.00(9) . . ?
C25A C24A C23A 108.18(8) . . ?
C25A C24A C66A 119.59(10) . . ?
C23A C24A C66A 118.71(8) . . ?
C25A C24A Sc3A 73.24(7) . . ?
C23A C24A Sc3A 67.82(7) . . ?
C66A C24A Sc3A 90.76(8) . . ?
C26A C25A C24A 107.66(8) . . ?
C26A C25A C30A 120.55(9) . . ?
C24A C25A C30A 120.72(9) . . ?
C26A C25A Sc3A 68.78(7) . . ?
C24A C25A Sc3A 74.19(7) . . ?
C30A C25A Sc3A 92.25(8) . . ?
C25A C26A C22A 108.32(8) . . ?
C25A C26A C27A 119.57(10) . . ?
C22A C26A C27A 118.73(9) . . ?
C25A C26A Sc3A 77.93(8) . . ?
C22A C26A Sc3A 68.87(7) . . ?
C27A C26A Sc3A 85.53(8) . . ?
C54A C27A C28A 108.03(9) . . ?
C54A C27A C26A 119.97(10) . . ?
C28A C27A C26A 120.07(10) . . ?
C54A C27A Sc3A 77.43(10) . . ?
C28A C27A Sc3A 98.72(9) . . ?
C26A C27A Sc3A 62.48(7) . . ?
C48A C28A C27A 107.59(9) . . ?
C48A C28A C29A 120.01(9) . . ?
C27A C28A C29A 120.54(10) . . ?
C28A C29A C34A 116.91(8) . . ?
C28A C29A C30A 119.09(10) . . ?
C34A C29A C30A 119.66(8) . . ?
C28A C29A Sc2A 106.54(9) . . ?
C34A C29A Sc2A 60.23(7) . . ?
C30A C29A Sc2A 83.76(7) . . ?
C25A C30A C29A 118.58(8) . . ?
C25A C30A C31A 118.53(8) . . ?
C29A C30A C31A 119.02(7) . . ?
C25A C30A Sc2A 124.36(8) . . ?
C29A C30A Sc2A 66.03(6) . . ?
C31A C30A Sc2A 65.53(6) . . ?
C32A C31A C65A 116.95(8) . . ?
C32A C31A C30A 119.67(8) . . ?
C65A C31A C30A 119.18(10) . . ?
C32A C31A Sc2A 60.13(7) . . ?
C65A C31A Sc2A 106.53(8) . . ?
C30A C31A Sc2A 84.15(7) . . ?
C62A C32A C33A 107.53(8) . . ?
C62A C32A C31A 119.24(10) . . ?
C33A C32A C31A 119.79(9) . . ?
C62A C32A Sc2A 76.04(8) . . ?
C33A C32A Sc2A 69.55(8) . . ?
C31A C32A Sc2A 86.53(9) . . ?
C37A C33A C34A 108.01(9) . . ?
C37A C33A C32A 107.95(9) . . ?
C34A C33A C32A 119.95(10) . . ?
C37A C33A Sc2A 72.35(9) . . ?
C34A C33A Sc2A 73.93(9) . . ?
C32A C33A Sc2A 73.35(9) . . ?
C35A C34A C33A 107.55(8) . . ?
C35A C34A C29A 119.27(10) . . ?
C33A C34A C29A 119.68(9) . . ?
C35A C34A Sc2A 76.43(8) . . ?
C33A C34A Sc2A 69.13(8) . . ?
C29A C34A Sc2A 86.48(9) . . ?
C36A C35A C34A 108.37(8) . . ?
C36A C35A C47A 119.82(9) . . ?
C34A C35A C47A 120.01(9) . . ?
C36A C35A Sc2A 69.80(7) . . ?
C34A C35A Sc2A 68.26(8) . . ?
C47A C35A Sc2A 96.18(10) . . ?
C35A C36A C37A 107.72(8) . . ?
C35A C36A C41A 119.22(10) . . ?
C37A C36A C41A 119.58(9) . . ?
C35A C36A Sc2A 75.18(8) . . ?
C37A C36A Sc2A 68.90(8) . . ?
C41A C36A Sc2A 87.91(8) . . ?
C33A C37A C38A 108.15(9) . . ?
C33A C37A C36A 108.17(9) . . ?
C38A C37A C36A 119.75(10) . . ?
C33A C37A Sc2A 70.62(8) . . ?
C38A C37A Sc2A 74.16(8) . . ?
C36A C37A Sc2A 74.79(9) . . ?
C62A C38A C37A 107.87(8) . . ?
C62A C38A C39A 119.02(10) . . ?
C37A C38A C39A 119.60(9) . . ?
C62A C38A Sc2A 74.89(8) . . ?
C37A C38A Sc2A 69.44(8) . . ?
C39A C38A Sc2A 87.65(9) . . ?
C40A C39A C61A 119.14(9) . . ?
C40A C39A C38A 119.63(8) . . ?
C61A C39A C38A 117.07(8) . . ?
C40A C39A Sc2A 83.76(9) . . ?
C61A C39A Sc2A 107.54(9) . . ?
C38A C39A Sc2A 59.73(7) . . ?
C39A C40A C41A 120.30(8) . . ?
C39A C40A C3A 119.01(8) . . ?
C41A C40A C3A 119.00(8) . . ?
C39A C40A Sc1A 97.82(9) . . ?
C41A C40A Sc1A 98.18(9) . . ?
C3A C40A Sc1A 60.74(8) . . ?
C40A C41A C42A 118.87(9) . . ?
C40A C41A C36A 119.48(8) . . ?
C42A C41A C36A 117.06(8) . . ?
C40A C41A Sc2A 82.97(8) . . ?
C42A C41A Sc2A 107.45(9) . . ?
C36A C41A Sc2A 59.72(7) . . ?
C43A C42A C46A 107.74(10) . . ?
C43A C42A C41A 120.00(10) . . ?
C46A C42A C41A 119.68(10) . . ?
C44A C43A C42A 108.18(9) . . ?
C44A C43A C4A 120.13(9) . . ?
C42A C43A C4A 119.99(8) . . ?
C44A C43A Sc1A 81.61(9) . . ?
C42A C43A Sc1A 96.64(9) . . ?
C4A C43A Sc1A 60.60(7) . . ?
C43A C44A C45A 107.83(9) . . ?
C43A C44A C56A 119.80(10) . . ?
C45A C44A C56A 120.72(11) . . ?
C44A C45A C46A 107.98(10) . . ?
C44A C45A C50A 120.11(12) . . ?
C46A C45A C50A 119.99(10) . . ?
C42A C46A C45A 107.76(10) . . ?
C42A C46A C47A 119.85(10) . . ?
C45A C46A C47A 120.04(10) . . ?
C35A C47A C48A 119.07(9) . . ?
C35A C47A C46A 119.08(9) . . ?
C48A C47A C46A 118.76(9) . . ?
C28A C48A C49A 107.97(10) . . ?
C28A C48A C47A 120.11(10) . . ?
C49A C48A C47A 120.10(9) . . ?
C54A C49A C48A 107.88(10) . . ?
C54A C49A C50A 120.17(11) . . ?
C48A C49A C50A 120.13(10) . . ?
C49A C50A C45A 118.59(10) . . ?
C49A C50A C51A 118.90(10) . . ?
C45A C50A C51A 118.91(10) . . ?
C55A C51A C52A 108.20(11) . . ?
C55A C51A C50A 120.50(12) . . ?
C52A C51A C50A 120.42(11) . . ?
C51A C52A C14A 107.92(11) . . ?
C51A C52A C53A 120.24(11) . . ?
C14A C52A C53A 120.28(11) . . ?
C54A C53A C52A 118.80(10) . . ?
C54A C53A C21A 119.04(9) . . ?
C52A C53A C21A 118.21(9) . . ?
C54A C53A Sc3A 86.44(10) . . ?
C52A C53A Sc3A 101.09(10) . . ?
C21A C53A Sc3A 63.22(7) . . ?
C27A C54A C49A 107.94(10) . . ?
C27A C54A C53A 120.44(11) . . ?
C49A C54A C53A 120.69(10) . . ?
C27A C54A Sc3A 72.93(10) . . ?
C49A C54A Sc3A 106.38(12) . . ?
C53A C54A Sc3A 62.49(8) . . ?
C51A C55A C13A 107.91(10) . . ?
C51A C55A C56A 120.23(12) . . ?
C13A C55A C56A 120.09(11) . . ?
C6A C56A C44A 119.17(9) . . ?
C6A C56A C55A 118.08(10) . . ?
C44A C56A C55A 118.66(9) . . ?
C6A C56A Sc1A 62.55(7) . . ?
C44A C56A Sc1A 85.79(8) . . ?
C55A C56A Sc1A 102.23(9) . . ?
C58A C57A C61A 108.21(9) . . ?
C58A C57A C2A 120.08(9) . . ?
C61A C57A C2A 119.93(8) . . ?
C58A C57A Sc1A 81.69(9) . . ?
C61A C57A Sc1A 96.61(10) . . ?
C2A C57A Sc1A 60.44(7) . . ?
C57A C58A C59A 107.69(9) . . ?
C57A C58A C9A 119.92(10) . . ?
C59A C58A C9A 120.42(10) . . ?
C58A C59A C60A 108.11(9) . . ?
C58A C59A C69A 120.22(11) . . ?
C60A C59A C69A 120.24(10) . . ?
C61A C60A C59A 107.82(9) . . ?
C61A C60A C63A 119.85(10) . . ?
C59A C60A C63A 119.91(10) . . ?
C60A C61A C57A 107.66(9) . . ?
C60A C61A C39A 119.66(10) . . ?
C57A C61A C39A 119.86(10) . . ?
C38A C62A C63A 119.91(9) . . ?
C38A C62A C32A 108.31(8) . . ?
C63A C62A C32A 120.06(9) . . ?
C38A C62A Sc2A 69.84(7) . . ?
C63A C62A Sc2A 96.09(10) . . ?
C32A C62A Sc2A 68.38(8) . . ?
C62A C63A C64A 119.09(9) . . ?
C62A C63A C60A 119.01(9) . . ?
C64A C63A C60A 118.68(9) . . ?
C65A C64A C68A 108.19(10) . . ?
C65A C64A C63A 120.26(10) . . ?
C68A C64A C63A 120.33(9) . . ?
C64A C65A C66A 107.59(9) . . ?
C64A C65A C31A 119.69(9) . . ?
C66A C65A C31A 120.63(9) . . ?
C67A C66A C65A 107.93(8) . . ?
C67A C66A C24A 119.92(8) . . ?
C65A C66A C24A 119.86(9) . . ?
C66A C67A C68A 107.84(9) . . ?
C66A C67A C18A 120.24(8) . . ?
C68A C67A C18A 120.26(9) . . ?
C64A C68A C67A 107.92(9) . . ?
C64A C68A C69A 119.84(10) . . ?
C67A C68A C69A 120.25(10) . . ?
C59A C69A C70A 119.15(9) . . ?
C59A C69A C68A 118.56(9) . . ?
C70A C69A C68A 119.05(9) . . ?
C10A C70A C17A 108.16(10) . . ?
C10A C70A C69A 120.13(11) . . ?
C17A C70A C69A 120.29(10) . . ?
N1B Sc1B C6B 135.4(6) . . ?
N1B Sc1B C8B 131.0(7) . . ?
C6B Sc1B C8B 58.41(6) . . ?
N1B Sc1B C5B 165.8(5) . . ?
C6B Sc1B C5B 35.08(5) . . ?
C8B Sc1B C5B 58.10(6) . . ?
N1B Sc1B C1B 159.1(5) . . ?
C6B Sc1B C1B 58.19(6) . . ?
C8B Sc1B C1B 34.89(5) . . ?
C5B Sc1B C1B 34.76(4) . . ?
N1B Sc1B C4B 139.6(7) . . ?
C6B Sc1B C4B 62.00(6) . . ?
C8B Sc1B C4B 89.41(7) . . ?
C5B Sc1B C4B 34.55(4) . . ?
C1B Sc1B C4B 57.27(5) . . ?
N1B Sc1B C2B 134.9(5) . . ?
C6B Sc1B C2B 89.54(7) . . ?
C8B Sc1B C2B 61.68(6) . . ?
C5B Sc1B C2B 57.30(5) . . ?
C1B Sc1B C2B 34.50(4) . . ?
C4B Sc1B C2B 56.62(5) . . ?
N1B Sc1B C3B 126.7(7) . . ?
C6B Sc1B C3B 91.51(7) . . ?
C8B Sc1B C3B 91.18(7) . . ?
C5B Sc1B C3B 57.32(5) . . ?
C1B Sc1B C3B 57.23(5) . . ?
C4B Sc1B C3B 34.10(4) . . ?
C2B Sc1B C3B 34.02(4) . . ?
N1B Sc1B C7B 122.4(7) . . ?
C6B Sc1B C7B 34.57(5) . . ?
C8B Sc1B C7B 34.46(5) . . ?
C5B Sc1B C7B 57.16(6) . . ?
C1B Sc1B C7B 57.05(6) . . ?
C4B Sc1B C7B 91.02(7) . . ?
C2B Sc1B C7B 90.79(7) . . ?
C3B Sc1B C7B 110.81(7) . . ?
N1B Sc1B C56B 108.0(5) . . ?
C6B Sc1B C56B 32.63(4) . . ?
C8B Sc1B C56B 89.19(8) . . ?
C5B Sc1B C56B 58.77(5) . . ?
C1B Sc1B C56B 89.30(7) . . ?
C4B Sc1B C56B 68.46(6) . . ?
C2B Sc1B C56B 115.84(7) . . ?
C3B Sc1B C56B 102.54(8) . . ?
C7B Sc1B C56B 58.14(6) . . ?
N1B Sc1B C9B 102.4(6) . . ?
C6B Sc1B C9B 89.04(8) . . ?
C8B Sc1B C9B 32.47(4) . . ?
C5B Sc1B C9B 89.02(7) . . ?
C1B Sc1B C9B 58.40(6) . . ?
C4B Sc1B C9B 115.41(7) . . ?
C2B Sc1B C9B 67.90(6) . . ?
C3B Sc1B C9B 101.90(7) . . ?
C7B Sc1B C9B 57.89(6) . . ?
C56B Sc1B C9B 115.96(9) . . ?
N1B Sc1B C43B 112.5(6) . . ?
C6B Sc1B C43B 66.90(6) . . ?
C8B Sc1B C43B 114.60(7) . . ?
C5B Sc1B C43B 56.60(5) . . ?
C1B Sc1B C43B 86.89(7) . . ?
C4B Sc1B C43B 31.19(4) . . ?
C2B Sc1B C43B 86.16(7) . . ?
C3B Sc1B C43B 56.28(6) . . ?
C7B Sc1B C43B 101.45(7) . . ?
C56B Sc1B C43B 54.21(5) . . ?
C9B Sc1B C43B 145.04(7) . . ?
N1B Sc2B C33B 162.0(6) . . ?
N1B Sc2B C37B 160.0(7) . . ?
C33B Sc2B C37B 37.01(4) . . ?
N1B Sc2B C34B 136.0(7) . . ?
C33B Sc2B C34B 37.22(4) . . ?
C37B Sc2B C34B 61.45(6) . . ?
N1B Sc2B C32B 130.0(4) . . ?
C33B Sc2B C32B 37.04(4) . . ?
C37B Sc2B C32B 61.10(5) . . ?
C34B Sc2B C32B 66.08(5) . . ?
N1B Sc2B C36B 135.1(4) . . ?
C33B Sc2B C36B 61.06(6) . . ?
C37B Sc2B C36B 36.35(4) . . ?
C34B Sc2B C36B 60.53(6) . . ?
C32B Sc2B C36B 94.66(6) . . ?
N1B Sc2B C38B 129.3(7) . . ?
C33B Sc2B C38B 60.69(5) . . ?
C37B Sc2B C38B 36.11(4) . . ?
C34B Sc2B C38B 94.62(6) . . ?
C32B Sc2B C38B 59.85(5) . . ?
C36B Sc2B C38B 64.03(5) . . ?
N1B Sc2B C35B 126.1(5) . . ?
C33B Sc2B C35B 60.17(6) . . ?
C37B Sc2B C35B 59.65(5) . . ?
C34B Sc2B C35B 35.74(4) . . ?
C32B Sc2B C35B 96.41(7) . . ?
C36B Sc2B C35B 35.33(4) . . ?
C38B Sc2B C35B 94.69(6) . . ?
N1B Sc2B C62B 118.2(5) . . ?
C33B Sc2B C62B 59.62(5) . . ?
C37B Sc2B C62B 59.08(5) . . ?
C34B Sc2B C62B 96.01(6) . . ?
C32B Sc2B C62B 35.24(4) . . ?
C36B Sc2B C62B 94.32(6) . . ?
C38B Sc2B C62B 34.84(4) . . ?
C35B Sc2B C62B 115.55(7) . . ?
N1B Sc2B C29B 105.5(7) . . ?
C33B Sc2B C29B 61.55(6) . . ?
C37B Sc2B C29B 93.75(7) . . ?
C34B Sc2B C29B 33.71(5) . . ?
C32B Sc2B C29B 71.84(6) . . ?
C36B Sc2B C29B 91.93(7) . . ?
C38B Sc2B C29B 122.05(7) . . ?
C35B Sc2B C29B 59.59(5) . . ?
C62B Sc2B C29B 107.08(6) . . ?
N1B Sc2B C31B 101.8(5) . . ?
C33B Sc2B C31B 61.16(5) . . ?
C37B Sc2B C31B 93.12(6) . . ?
C34B Sc2B C31B 71.83(6) . . ?
C32B Sc2B C31B 33.30(5) . . ?
C36B Sc2B C31B 122.10(7) . . ?
C38B Sc2B C31B 90.76(6) . . ?
C35B Sc2B C31B 107.56(7) . . ?
C62B Sc2B C31B 58.77(5) . . ?
C29B Sc2B C31B 57.21(5) . . ?
N1B Sc2B C41B 105.6(5) . . ?
C33B Sc2B C41B 91.92(7) . . ?
C37B Sc2B C41B 59.40(5) . . ?
C34B Sc2B C41B 90.69(7) . . ?
C32B Sc2B C41B 120.17(7) . . ?
C36B Sc2B C41B 32.38(4) . . ?
C38B Sc2B C41B 68.96(5) . . ?
C35B Sc2B C41B 58.05(5) . . ?
C62B Sc2B C41B 103.77(6) . . ?
C29B Sc2B C41B 117.36(8) . . ?
C31B Sc2B C41B 152.38(7) . . ?
N1B Sc3B C19B 143.6(7) . . ?
N1B Sc3B C23B 168.6(4) . . ?
C19B Sc3B C23B 36.94(5) . . ?
N1B Sc3B C20B 128.7(6) . . ?
C19B Sc3B C20B 36.82(5) . . ?
C23B Sc3B C20B 59.79(6) . . ?
N1B Sc3B C18B 111.6(7) . . ?
C19B Sc3B C18B 36.31(6) . . ?
C23B Sc3B C18B 63.62(7) . . ?
C20B Sc3B C18B 63.33(7) . . ?
N1B Sc3B C21B 132.7(4) . . ?
C19B Sc3B C21B 60.35(6) . . ?
C23B Sc3B C21B 58.70(5) . . ?
C20B Sc3B C21B 35.20(4) . . ?
C18B Sc3B C21B 94.80(7) . . ?
N1B Sc3B C24B 134.8(5) . . ?
C19B Sc3B C24B 64.90(6) . . ?
C23B Sc3B C24B 35.16(4) . . ?
C20B Sc3B C24B 94.63(7) . . ?
C18B Sc3B C24B 73.22(8) . . ?
C21B Sc3B C24B 89.42(6) . . ?
N1B Sc3B C22B 153.5(6) . . ?
C19B Sc3B C22B 59.67(5) . . ?
C23B Sc3B C22B 34.80(4) . . ?
C20B Sc3B C22B 57.97(5) . . ?
C18B Sc3B C22B 94.30(7) . . ?
C21B Sc3B C22B 34.34(4) . . ?
C24B Sc3B C22B 56.88(5) . . ?
N1B Sc3B C25B 118.7(7) . . ?
C19B Sc3B C25B 92.70(7) . . ?
C23B Sc3B C25B 56.36(6) . . ?
C20B Sc3B C25B 110.84(7) . . ?
C18B Sc3B C25B 106.36(8) . . ?
C21B Sc3B C25B 87.91(7) . . ?
C24B Sc3B C25B 33.16(4) . . ?
C22B Sc3B C25B 55.04(5) . . ?
N1B Sc3B C26B 126.8(7) . . ?
C19B Sc3B C26B 89.49(6) . . ?
C23B Sc3B C26B 55.67(6) . . ?
C20B Sc3B C26B 89.72(7) . . ?
C18B Sc3B C26B 119.01(7) . . ?
C21B Sc3B C26B 59.12(6) . . ?
C24B Sc3B C26B 54.60(5) . . ?
C22B Sc3B C26B 32.78(4) . . ?
C25B Sc3B C26B 32.04(4) . . ?
N1B Sc3B C66B 109.7(4) . . ?
C19B Sc3B C66B 71.19(7) . . ?
C23B Sc3B C66B 58.92(6) . . ?
C20B Sc3B C66B 107.89(9) . . ?
C18B Sc3B C66B 57.98(7) . . ?
C21B Sc3B C66B 117.60(7) . . ?
C24B Sc3B C66B 32.53(4) . . ?
C22B Sc3B C66B 88.29(6) . . ?
C25B Sc3B C66B 56.52(5) . . ?
C26B Sc3B C66B 85.16(6) . . ?
N1B Sc3B C67B 101.9(5) . . ?
C19B Sc3B C67B 59.72(8) . . ?
C23B Sc3B C67B 68.48(7) . . ?
C20B Sc3B C67B 93.47(9) . . ?
C18B Sc3B C67B 31.96(5) . . ?
C21B Sc3B C67B 119.36(8) . . ?
C24B Sc3B C67B 57.47(6) . . ?
C22B Sc3B C67B 103.20(7) . . ?
C25B Sc3B C67B 86.34(7) . . ?
C26B Sc3B C67B 112.02(7) . . ?
C66B Sc3B C67B 30.32(4) . . ?
Sc2B N1B Sc3B 109.3(10) . . ?
Sc2B N1B Sc1B 102.2(11) . . ?
Sc3B N1B Sc1B 148.4(13) . . ?
C5B C1B C8B 108.07(9) . . ?
C5B C1B C2B 107.92(8) . . ?
C8B C1B C2B 119.14(9) . . ?
C5B C1B Sc1B 72.38(8) . . ?
C8B C1B Sc1B 71.94(9) . . ?
C2B C1B Sc1B 74.47(9) . . ?
C3B C2B C1B 108.13(8) . . ?
C3B C2B C57B 119.96(8) . . ?
C1B C2B C57B 119.16(9) . . ?
C3B C2B Sc1B 73.18(10) . . ?
C1B C2B Sc1B 71.04(9) . . ?
C57B C2B Sc1B 88.77(9) . . ?
C2B C3B C4B 107.89(8) . . ?
C2B C3B C40B 119.74(9) . . ?
C4B C3B C40B 119.95(9) . . ?
C2B C3B Sc1B 72.80(9) . . ?
C4B C3B Sc1B 72.62(9) . . ?
C40B C3B Sc1B 88.07(11) . . ?
C3B C4B C5B 108.07(8) . . ?
C3B C4B C43B 119.66(8) . . ?
C5B C4B C43B 118.90(9) . . ?
C3B C4B Sc1B 73.28(9) . . ?
C5B C4B Sc1B 70.91(9) . . ?
C43B C4B Sc1B 87.94(9) . . ?
C1B C5B C6B 107.98(9) . . ?
C1B C5B C4B 107.96(8) . . ?
C6B C5B C4B 119.31(9) . . ?
C1B C5B Sc1B 72.86(8) . . ?
C6B C5B Sc1B 71.58(8) . . ?
C4B C5B Sc1B 74.54(9) . . ?
C5B C6B C7B 107.81(8) . . ?
C5B C6B C56B 119.93(9) . . ?
C7B C6B C56B 120.06(9) . . ?
C5B C6B Sc1B 73.34(8) . . ?
C7B C6B Sc1B 76.02(8) . . ?
C56B C6B Sc1B 84.70(8) . . ?
C8B C7B C6B 107.73(9) . . ?
C8B C7B C12B 119.98(9) . . ?
C6B C7B C12B 119.98(9) . . ?
C8B C7B Sc1B 69.97(7) . . ?
C6B C7B Sc1B 69.41(8) . . ?
C12B C7B Sc1B 93.99(11) . . ?
C1B C8B C7B 107.87(8) . . ?
C1B C8B C9B 119.81(9) . . ?
C7B C8B C9B 120.00(9) . . ?
C1B C8B Sc1B 73.17(8) . . ?
C7B C8B Sc1B 75.57(8) . . ?
C9B C8B Sc1B 85.13(8) . . ?
C8B C9B C58B 119.01(9) . . ?
C8B C9B C10B 118.01(9) . . ?
C58B C9B C10B 118.99(8) . . ?
C8B C9B Sc1B 62.40(7) . . ?
C58B C9B Sc1B 86.12(9) . . ?
C10B C9B Sc1B 102.14(9) . . ?
C70B C10B C11B 107.97(9) . . ?
C70B C10B C9B 120.09(10) . . ?
C11B C10B C9B 120.19(11) . . ?
C10B C11B C16B 108.01(10) . . ?
C10B C11B C12B 119.67(12) . . ?
C16B C11B C12B 120.44(10) . . ?
C7B C12B C11B 118.50(10) . . ?
C7B C12B C13B 118.48(10) . . ?
C11B C12B C13B 119.06(9) . . ?
C55B C13B C14B 108.01(11) . . ?
C55B C13B C12B 119.78(12) . . ?
C14B C13B C12B 120.45(10) . . ?
C52B C14B C13B 107.71(11) . . ?
C52B C14B C15B 119.69(11) . . ?
C13B C14B C15B 120.36(10) . . ?
C20B C15B C16B 118.67(9) . . ?
C20B C15B C14B 118.55(9) . . ?
C16B C15B C14B 119.13(9) . . ?
C20B C15B Sc3B 56.88(8) . . ?
C16B C15B Sc3B 93.44(10) . . ?
C14B C15B Sc3B 100.81(11) . . ?
C11B C16B C17B 107.83(10) . . ?
C11B C16B C15B 120.30(10) . . ?
C17B C16B C15B 119.62(11) . . ?
C70B C17B C16B 107.79(10) . . ?
C70B C17B C18B 120.10(10) . . ?
C16B C17B C18B 120.11(11) . . ?
C19B C18B C67B 119.13(8) . . ?
C19B C18B C17B 118.26(9) . . ?
C67B C18B C17B 119.01(9) . . ?
C19B C18B Sc3B 63.95(8) . . ?
C67B C18B Sc3B 86.47(9) . . ?
C17B C18B Sc3B 101.13(10) . . ?
C23B C19B C20B 107.77(8) . . ?
C23B C19B C18B 119.64(9) . . ?
C20B C19B C18B 119.31(11) . . ?
C23B C19B Sc3B 76.32(10) . . ?
C20B C19B Sc3B 76.87(10) . . ?
C18B C19B Sc3B 79.74(11) . . ?
C21B C20B C19B 107.78(8) . . ?
C21B C20B C15B 119.86(11) . . ?
C19B C20B C15B 119.93(10) . . ?
C21B C20B Sc3B 75.13(11) . . ?
C19B C20B Sc3B 66.30(10) . . ?
C15B C20B Sc3B 91.88(10) . . ?
C22B C21B C20B 107.91(8) . . ?
C22B C21B C53B 119.53(10) . . ?
C20B C21B C53B 119.43(10) . . ?
C22B C21B Sc3B 74.39(8) . . ?
C20B C21B Sc3B 69.67(10) . . ?
C53B C21B Sc3B 88.39(11) . . ?
C23B C22B C21B 108.08(8) . . ?
C23B C22B C26B 107.86(9) . . ?
C21B C22B C26B 119.74(11) . . ?
C23B C22B Sc3B 67.80(9) . . ?
C21B C22B Sc3B 71.27(9) . . ?
C26B C22B Sc3B 79.87(9) . . ?
C22B C23B C24B 107.95(9) . . ?
C22B C23B C19B 108.03(8) . . ?
C24B C23B C19B 119.79(10) . . ?
C22B C23B Sc3B 77.40(10) . . ?
C24B C23B Sc3B 76.21(9) . . ?
C19B C23B Sc3B 66.74(10) . . ?
C25B C24B C23B 108.18(8) . . ?
C25B C24B C66B 119.59(10) . . ?
C23B C24B C66B 118.71(8) . . ?
C25B C24B Sc3B 79.40(9) . . ?
C23B C24B Sc3B 68.63(8) . . ?
C66B C24B Sc3B 84.18(9) . . ?
C26B C25B C24B 107.66(8) . . ?
C26B C25B C30B 120.55(9) . . ?
C24B C25B C30B 120.72(9) . . ?
C26B C25B Sc3B 75.25(8) . . ?
C24B C25B Sc3B 67.44(8) . . ?
C30B C25B Sc3B 92.55(8) . . ?
C25B C26B C22B 108.32(8) . . ?
C25B C26B C27B 119.57(10) . . ?
C22B C26B C27B 118.73(9) . . ?
C25B C26B Sc3B 72.71(8) . . ?
C22B C26B Sc3B 67.35(7) . . ?
C27B C26B Sc3B 91.97(9) . . ?
C54B C27B C28B 108.03(9) . . ?
C54B C27B C26B 119.97(10) . . ?
C28B C27B C26B 120.07(10) . . ?
C48B C28B C27B 107.59(9) . . ?
C48B C28B C29B 120.01(9) . . ?
C27B C28B C29B 120.54(10) . . ?
C28B C29B C34B 116.91(8) . . ?
C28B C29B C30B 119.09(10) . . ?
C34B C29B C30B 119.66(8) . . ?
C28B C29B Sc2B 106.11(9) . . ?
C34B C29B Sc2B 60.18(7) . . ?
C30B C29B Sc2B 84.16(7) . . ?
C25B C30B C29B 118.58(8) . . ?
C25B C30B C31B 118.53(8) . . ?
C29B C30B C31B 119.02(7) . . ?
C25B C30B Sc2B 124.33(8) . . ?
C29B C30B Sc2B 65.41(6) . . ?
C31B C30B Sc2B 66.17(6) . . ?
C32B C31B C65B 116.95(8) . . ?
C32B C31B C30B 119.67(8) . . ?
C65B C31B C30B 119.18(10) . . ?
C32B C31B Sc2B 60.47(7) . . ?
C65B C31B Sc2B 107.09(9) . . ?
C30B C31B Sc2B 83.37(7) . . ?
C62B C32B C33B 107.53(8) . . ?
C62B C32B C31B 119.24(10) . . ?
C33B C32B C31B 119.79(9) . . ?
C62B C32B Sc2B 76.92(9) . . ?
C33B C32B Sc2B 69.01(8) . . ?
C31B C32B Sc2B 86.23(9) . . ?
C37B C33B C34B 108.01(9) . . ?
C37B C33B C32B 107.95(9) . . ?
C34B C33B C32B 119.95(10) . . ?
C37B C33B Sc2B 72.77(9) . . ?
C34B C33B Sc2B 72.98(9) . . ?
C32B C33B Sc2B 73.95(9) . . ?
C35B C34B C33B 107.55(8) . . ?
C35B C34B C29B 119.27(10) . . ?
C33B C34B C29B 119.68(9) . . ?
C35B C34B Sc2B 76.15(9) . . ?
C33B C34B Sc2B 69.80(8) . . ?
C29B C34B Sc2B 86.11(9) . . ?
C36B C35B C34B 108.37(8) . . ?
C36B C35B C47B 119.82(9) . . ?
C34B C35B C47B 120.01(9) . . ?
C36B C35B Sc2B 70.37(8) . . ?
C34B C35B Sc2B 68.11(8) . . ?
C47B C35B Sc2B 95.75(10) . . ?
C35B C36B C37B 107.72(8) . . ?
C35B C36B C41B 119.22(10) . . ?
C37B C36B C41B 119.58(9) . . ?
C35B C36B Sc2B 74.30(8) . . ?
C37B C36B Sc2B 69.44(8) . . ?
C41B C36B Sc2B 88.22(9) . . ?
C33B C37B C38B 108.15(9) . . ?
C33B C37B C36B 108.17(9) . . ?
C38B C37B C36B 119.75(10) . . ?
C33B C37B Sc2B 70.22(9) . . ?
C38B C37B Sc2B 75.10(9) . . ?
C36B C37B Sc2B 74.21(9) . . ?
C62B C38B C37B 107.87(8) . . ?
C62B C38B C39B 119.02(10) . . ?
C37B C38B C39B 119.60(9) . . ?
C62B C38B Sc2B 75.19(8) . . ?
C37B C38B Sc2B 68.79(8) . . ?
C39B C38B Sc2B 87.99(9) . . ?
C40B C39B C61B 119.14(9) . . ?
C40B C39B C38B 119.63(8) . . ?
C61B C39B C38B 117.07(8) . . ?
C40B C39B Sc2B 83.36(9) . . ?
C61B C39B Sc2B 107.96(10) . . ?
C38B C39B Sc2B 59.78(7) . . ?
C39B C40B C41B 120.30(8) . . ?
C39B C40B C3B 119.01(8) . . ?
C41B C40B C3B 119.00(8) . . ?
C39B C40B Sc1B 98.03(9) . . ?
C41B C40B Sc1B 97.91(9) . . ?
C3B C40B Sc1B 60.81(8) . . ?
C40B C41B C42B 118.87(9) . . ?
C40B C41B C36B 119.48(8) . . ?
C42B C41B C36B 117.06(8) . . ?
C40B C41B Sc2B 83.73(9) . . ?
C42B C41B Sc2B 106.90(9) . . ?
C36B C41B Sc2B 59.40(7) . . ?
C43B C42B C46B 107.74(9) . . ?
C43B C42B C41B 120.00(9) . . ?
C46B C42B C41B 119.68(10) . . ?
C44B C43B C42B 108.18(9) . . ?
C44B C43B C4B 120.13(9) . . ?
C42B C43B C4B 119.99(8) . . ?
C44B C43B Sc1B 81.20(9) . . ?
C42B C43B Sc1B 96.77(10) . . ?
C4B C43B Sc1B 60.86(7) . . ?
C43B C44B C45B 107.83(9) . . ?
C43B C44B C56B 119.80(10) . . ?
C45B C44B C56B 120.72(11) . . ?
C44B C45B C46B 107.98(10) . . ?
C44B C45B C50B 120.11(12) . . ?
C46B C45B C50B 119.99(10) . . ?
C42B C46B C45B 107.76(9) . . ?
C42B C46B C47B 119.85(10) . . ?
C45B C46B C47B 120.04(10) . . ?
C35B C47B C48B 119.07(9) . . ?
C35B C47B C46B 119.08(9) . . ?
C48B C47B C46B 118.76(9) . . ?
C28B C48B C49B 107.97(10) . . ?
C28B C48B C47B 120.11(10) . . ?
C49B C48B C47B 120.10(9) . . ?
C54B C49B C48B 107.88(10) . . ?
C54B C49B C50B 120.17(11) . . ?
C48B C49B C50B 120.13(10) . . ?
C49B C50B C45B 118.59(10) . . ?
C49B C50B C51B 118.90(11) . . ?
C45B C50B C51B 118.91(10) . . ?
C55B C51B C52B 108.20(11) . . ?
C55B C51B C50B 120.50(12) . . ?
C52B C51B C50B 120.42(11) . . ?
C51B C52B C14B 107.92(11) . . ?
C51B C52B C53B 120.24(11) . . ?
C14B C52B C53B 120.28(11) . . ?
C54B C53B C52B 118.80(10) . . ?
C54B C53B C21B 119.04(9) . . ?
C52B C53B C21B 118.21(9) . . ?
C54B C53B Sc3B 90.44(10) . . ?
C52B C53B Sc3B 100.02(10) . . ?
C21B C53B Sc3B 60.14(8) . . ?
C27B C54B C49B 107.94(10) . . ?
C27B C54B C53B 120.44(11) . . ?
C49B C54B C53B 120.69(10) . . ?
C51B C55B C13B 107.91(10) . . ?
C51B C55B C56B 120.23(12) . . ?
C13B C55B C56B 120.09(11) . . ?
C6B C56B C44B 119.17(9) . . ?
C6B C56B C55B 118.08(10) . . ?
C44B C56B C55B 118.66(9) . . ?
C6B C56B Sc1B 62.66(7) . . ?
C44B C56B Sc1B 85.89(9) . . ?
C55B C56B Sc1B 101.99(9) . . ?
C58B C57B C61B 108.21(9) . . ?
C58B C57B C2B 120.08(9) . . ?
C61B C57B C2B 119.93(8) . . ?
C58B C57B Sc1B 81.58(9) . . ?
C61B C57B Sc1B 96.72(10) . . ?
C2B C57B Sc1B 60.46(7) . . ?
C57B C58B C59B 107.69(9) . . ?
C57B C58B C9B 119.92(10) . . ?
C59B C58B C9B 120.42(10) . . ?
C58B C59B C60B 108.11(10) . . ?
C58B C59B C69B 120.22(11) . . ?
C60B C59B C69B 120.24(10) . . ?
C61B C60B C59B 107.82(9) . . ?
C61B C60B C63B 119.85(10) . . ?
C59B C60B C63B 119.91(10) . . ?
C60B C61B C57B 107.66(9) . . ?
C60B C61B C39B 119.66(10) . . ?
C57B C61B C39B 119.86(10) . . ?
C38B C62B C63B 119.91(9) . . ?
C38B C62B C32B 108.31(8) . . ?
C63B C62B C32B 120.06(9) . . ?
C38B C62B Sc2B 69.97(7) . . ?
C63B C62B Sc2B 96.51(10) . . ?
C32B C62B Sc2B 67.83(8) . . ?
C62B C63B C64B 119.09(9) . . ?
C62B C63B C60B 119.01(9) . . ?
C64B C63B C60B 118.69(9) . . ?
C65B C64B C68B 108.19(10) . . ?
C65B C64B C63B 120.26(10) . . ?
C68B C64B C63B 120.33(9) . . ?
C64B C65B C66B 107.59(9) . . ?
C64B C65B C31B 119.69(9) . . ?
C66B C65B C31B 120.63(9) . . ?
C67B C66B C65B 107.93(8) . . ?
C67B C66B C24B 119.92(8) . . ?
C65B C66B C24B 119.86(9) . . ?
C67B C66B Sc3B 76.10(8) . . ?
C65B C66B Sc3B 98.66(9) . . ?
C24B C66B Sc3B 63.29(7) . . ?
C66B C67B C68B 107.84(9) . . ?
C66B C67B C18B 120.24(8) . . ?
C68B C67B C18B 120.26(9) . . ?
C66B C67B Sc3B 73.58(8) . . ?
C68B C67B Sc3B 105.53(10) . . ?
C18B C67B Sc3B 61.57(8) . . ?
C64B C68B C67B 107.92(9) . . ?
C64B C68B C69B 119.84(10) . . ?
C67B C68B C69B 120.25(10) . . ?
C59B C69B C70B 119.15(9) . . ?
C59B C69B C68B 118.56(9) . . ?
C70B C69B C68B 119.05(9) . . ?
C10B C70B C17B 108.16(9) . . ?
C10B C70B C69B 120.13(11) . . ?
C17B C70B C69B 120.29(10) . . ?
C2S C1S C3S 119.9(19) . . ?
C2S C1S H1S 120.0 . . ?
C3S C1S H1S 120.0 . . ?
C1S C2S C3S 121.5(19) . 3_756 ?
C1S C2S H2S 119.2 . . ?
C3S C2S H2S 119.2 3_756 . ?
C2S C3S C1S 119(2) 3_756 . ?
C2S C3S H3S 120.7 3_756 . ?
C1S C3S H3S 120.7 . . ?
C5S C4S C9S 120.7(11) . . ?
C5S C4S C10S 119.4(7) . . ?
C9S C4S C10S 119.8(7) . . ?
C4S C5S C6S 118.8(6) . . ?
C4S C5S H5S 120.6 . . ?
C6S C5S H5S 120.6 . . ?
C7S C6S C5S 119.2(7) . . ?
C7S C6S H6S 120.4 . . ?
C5S C6S H6S 120.4 . . ?
C6S C7S C8S 122.6(11) . . ?
C6S C7S H7S 118.7 . . ?
C8S C7S H7S 118.7 . . ?
C7S C8S C9S 119.0(7) . . ?
C7S C8S H8S 120.5 . . ?
C9S C8S H8S 120.5 . . ?
C4S C9S C8S 119.5(6) . . ?
C4S C9S H9S 120.2 . . ?
C8S C9S H9S 120.2 . . ?
C4S C10S H10A 109.5 . . ?
C4S C10S H10B 109.5 . . ?
H10A C10S H10B 109.5 . . ?
C4S C10S H10C 109.5 . . ?
H10A C10S H10C 109.5 . . ?
H10B C10S H10C 109.5 . . ?
N3P Ni1P N4P 90.33(6) . . ?
N3P Ni1P N2P 90.12(6) . . ?
N4P Ni1P N2P 177.52(7) . . ?
N3P Ni1P N1P 177.74(7) . . ?
N4P Ni1P N1P 89.58(6) . . ?
N2P Ni1P N1P 89.89(6) . . ?
C1P N1P C4P 104.39(12) . . ?
C1P N1P Ni1P 128.08(10) . . ?
C4P N1P Ni1P 127.51(11) . . ?
C9P N2P C6P 104.47(12) . . ?
C9P N2P Ni1P 127.78(10) . . ?
C6P N2P Ni1P 127.72(11) . . ?
C11P N3P C14P 103.91(12) . . ?
C11P N3P Ni1P 128.60(10) . . ?
C14P N3P Ni1P 127.48(11) . . ?
C19P N4P C16P 103.95(12) . . ?
C19P N4P Ni1P 128.53(10) . . ?
C16P N4P Ni1P 127.51(11) . . ?
C20P C1P N1P 124.93(15) . . ?
C20P C1P C2P 123.44(17) . . ?
N1P C1P C2P 111.60(12) . . ?
C3P C2P C1P 106.56(14) . . ?
C3P C2P C21P 129.07(17) . . ?
C1P C2P C21P 124.28(17) . . ?
C2P C3P C4P 106.94(12) . . ?
C2P C3P C23P 129.00(18) . . ?
C4P C3P C23P 123.98(17) . . ?
C5P C4P N1P 124.61(15) . . ?
C5P C4P C3P 124.88(14) . . ?
N1P C4P C3P 110.50(13) . . ?
C6P C5P C4P 125.81(17) . . ?
C6P C5P H5P 117.1 . . ?
C4P C5P H5P 117.1 . . ?
C5P C6P N2P 124.43(15) . . ?
C5P C6P C7P 125.32(14) . . ?
N2P C6P C7P 110.24(13) . . ?
C8P C7P C6P 107.51(13) . . ?
C8P C7P C25P 129.01(18) . . ?
C6P C7P C25P 123.38(18) . . ?
C7P C8P C9P 106.80(14) . . ?
C7P C8P C27P 128.66(18) . . ?
C9P C8P C27P 124.52(18) . . ?
C10P C9P N2P 124.60(15) . . ?
C10P C9P C8P 124.43(17) . . ?
N2P C9P C8P 110.97(12) . . ?
C11P C10P C9P 124.3(2) . . ?
C11P C10P H10P 117.9 . . ?
C9P C10P H10P 117.9 . . ?
C10P C11P N3P 124.59(15) . . ?
C10P C11P C12P 124.41(16) . . ?
N3P C11P C12P 110.97(12) . . ?
C13P C12P C11P 107.04(14) . . ?
C13P C12P C29P 128.28(18) . . ?
C11P C12P C29P 124.64(18) . . ?
C12P C13P C14P 106.87(12) . . ?
C12P C13P C31P 128.70(18) . . ?
C14P C13P C31P 124.28(17) . . ?
C15P C14P N3P 125.54(15) . . ?
C15P C14P C13P 123.25(14) . . ?
N3P C14P C13P 111.20(13) . . ?
C16P C15P C14P 123.82(17) . . ?
C16P C15P H15P 118.1 . . ?
C14P C15P H15P 118.1 . . ?
C15P C16P N4P 125.31(15) . . ?
C15P C16P C17P 123.43(14) . . ?
N4P C16P C17P 111.25(13) . . ?
C18P C17P C16P 106.01(12) . . ?
C18P C17P C33P 129.26(18) . . ?
C16P C17P C33P 124.69(17) . . ?
C17P C18P C19P 106.92(14) . . ?
C17P C18P C35P 128.93(18) . . ?
C19P C18P C35P 124.08(17) . . ?
N4P C19P C20P 124.69(15) . . ?
N4P C19P C18P 111.87(12) . . ?
C20P C19P C18P 123.41(16) . . ?
C1P C20P C19P 124.2(2) . . ?
C1P C20P H20P 117.9 . . ?
C19P C20P H20P 117.9 . . ?
C2P C21P C22P 111.91(16) . . ?
C2P C21P H21A 109.2 . . ?
C22P C21P H21A 109.2 . . ?
C2P C21P H21B 109.2 . . ?
C22P C21P H21B 109.2 . . ?
H21A C21P H21B 107.9 . . ?
C21P C22P H22A 109.5 . . ?
C21P C22P H22B 109.5 . . ?
H22A C22P H22B 109.5 . . ?
C21P C22P H22C 109.5 . . ?
H22A C22P H22C 109.5 . . ?
H22B C22P H22C 109.5 . . ?
C3P C23P C24P 112.46(18) . . ?
C3P C23P H23A 109.1 . . ?
C24P C23P H23A 109.1 . . ?
C3P C23P H23B 109.1 . . ?
C24P C23P H23B 109.1 . . ?
H23A C23P H23B 107.8 . . ?
C23P C24P H24A 109.5 . . ?
C23P C24P H24B 109.5 . . ?
H24A C24P H24B 109.5 . . ?
C23P C24P H24C 109.5 . . ?
H24A C24P H24C 109.5 . . ?
H24B C24P H24C 109.5 . . ?
C7P C25P C26P 113.85(18) . . ?
C7P C25P H25A 108.8 . . ?
C26P C25P H25A 108.8 . . ?
C7P C25P H25B 108.8 . . ?
C26P C25P H25B 108.8 . . ?
H25A C25P H25B 107.7 . . ?
C25P C26P H26A 109.5 . . ?
C25P C26P H26B 109.5 . . ?
H26A C26P H26B 109.5 . . ?
C25P C26P H26C 109.5 . . ?
H26A C26P H26C 109.5 . . ?
H26B C26P H26C 109.5 . . ?
C8P C27P C28P 111.8(2) . . ?
C8P C27P H27A 109.2 . . ?
C28P C27P H27A 109.2 . . ?
C8P C27P H27B 109.2 . . ?
C28P C27P H27B 109.2 . . ?
H27A C27P H27B 107.9 . . ?
C27P C28P H28A 109.5 . . ?
C27P C28P H28B 109.5 . . ?
H28A C28P H28B 109.5 . . ?
C27P C28P H28C 109.5 . . ?
H28A C28P H28C 109.5 . . ?
H28B C28P H28C 109.5 . . ?
C12P C29P C30P 112.0(2) . . ?
C12P C29P H29A 109.2 . . ?
C30P C29P H29A 109.2 . . ?
C12P C29P H29B 109.2 . . ?
C30P C29P H29B 109.2 . . ?
H29A C29P H29B 107.9 . . ?
C29P C30P H30A 109.5 . . ?
C29P C30P H30B 109.5 . . ?
H30A C30P H30B 109.5 . . ?
C29P C30P H30C 109.5 . . ?
H30A C30P H30C 109.5 . . ?
H30B C30P H30C 109.5 . . ?
C13P C31P C32P 114.35(18) . . ?
C13P C31P H31A 108.7 . . ?
C32P C31P H31A 108.7 . . ?
C13P C31P H31B 108.7 . . ?
C32P C31P H31B 108.7 . . ?
H31A C31P H31B 107.6 . . ?
C31P C32P H32A 109.5 . . ?
C31P C32P H32B 109.5 . . ?
H32A C32P H32B 109.5 . . ?
C31P C32P H32C 109.5 . . ?
H32A C32P H32C 109.5 . . ?
H32B C32P H32C 109.5 . . ?
C17P C33P C34P 112.66(18) . . ?
C17P C33P H33A 109.1 . . ?
C34P C33P H33A 109.1 . . ?
C17P C33P H33B 109.1 . . ?
C34P C33P H33B 109.1 . . ?
H33A C33P H33B 107.8 . . ?
C33P C34P H34A 109.5 . . ?
C33P C34P H34B 109.5 . . ?
H34A C34P H34B 109.5 . . ?
C33P C34P H34C 109.5 . . ?
H34A C34P H34C 109.5 . . ?
H34B C34P H34C 109.5 . . ?
C18P C35P C36P 111.78(17) . . ?
C18P C35P H35A 109.3 . . ?
C36P C35P H35A 109.3 . . ?
C18P C35P H35B 109.3 . . ?
C36P C35P H35B 109.3 . . ?
H35A C35P H35B 107.9 . . ?
C35P C36P H36A 109.5 . . ?
C35P C36P H36B 109.5 . . ?
H36A C36P H36B 109.5 . . ?
C35P C36P H36C 109.5 . . ?
H36A C36P H36C 109.5 . . ?
H36B C36P H36C 109.5 . . ?
N3Q Ni1Q N4Q 90.32(6) . . ?
N3Q Ni1Q N2Q 90.12(6) . . ?
N4Q Ni1Q N2Q 177.51(9) . . ?
N3Q Ni1Q N1Q 177.70(9) . . ?
N4Q Ni1Q N1Q 89.58(6) . . ?
N2Q Ni1Q N1Q 89.88(6) . . ?
C1Q N1Q C4Q 104.39(12) . . ?
C1Q N1Q Ni1Q 128.08(10) . . ?
C4Q N1Q Ni1Q 127.50(11) . . ?
C9Q N2Q C6Q 104.47(12) . . ?
C9Q N2Q Ni1Q 127.79(10) . . ?
C6Q N2Q Ni1Q 127.73(11) . . ?
C11Q N3Q C14Q 103.90(12) . . ?
C11Q N3Q Ni1Q 128.60(10) . . ?
C14Q N3Q Ni1Q 127.48(11) . . ?
C19Q N4Q C16Q 103.94(12) . . ?
C19Q N4Q Ni1Q 128.53(10) . . ?
C16Q N4Q Ni1Q 127.51(11) . . ?
C20Q C1Q N1Q 124.93(15) . . ?
C20Q C1Q C2Q 123.45(17) . . ?
N1Q C1Q C2Q 111.60(12) . . ?
C3Q C2Q C1Q 106.56(14) . . ?
C3Q C2Q C21Q 129.08(17) . . ?
C1Q C2Q C21Q 124.29(17) . . ?
C2Q C3Q C4Q 106.94(12) . . ?
C2Q C3Q C23Q 129.00(18) . . ?
C4Q C3Q C23Q 123.99(17) . . ?
C5Q C4Q N1Q 124.61(15) . . ?
C5Q C4Q C3Q 124.89(14) . . ?
N1Q C4Q C3Q 110.50(13) . . ?
C6Q C5Q C4Q 125.81(17) . . ?
C6Q C5Q H5Q 117.1 . . ?
C4Q C5Q H5Q 117.1 . . ?
C5Q C6Q N2Q 124.43(15) . . ?
C5Q C6Q C7Q 125.32(14) . . ?
N2Q C6Q C7Q 110.25(13) . . ?
C8Q C7Q C6Q 107.51(13) . . ?
C8Q C7Q C25Q 129.01(18) . . ?
C6Q C7Q C25Q 123.37(18) . . ?
C7Q C8Q C9Q 106.80(14) . . ?
C7Q C8Q C27Q 128.65(18) . . ?
C9Q C8Q C27Q 124.51(18) . . ?
C10Q C9Q N2Q 124.61(15) . . ?
C10Q C9Q C8Q 124.42(17) . . ?
N2Q C9Q C8Q 110.97(12) . . ?
C11Q C10Q C9Q 124.3(2) . . ?
C11Q C10Q H10Q 117.9 . . ?
C9Q C10Q H10Q 117.9 . . ?
C10Q C11Q N3Q 124.60(15) . . ?
C10Q C11Q C12Q 124.43(16) . . ?
N3Q C11Q C12Q 110.97(12) . . ?
C13Q C12Q C11Q 107.04(14) . . ?
C13Q C12Q C29Q 128.30(18) . . ?
C11Q C12Q C29Q 124.66(18) . . ?
C12Q C13Q C14Q 106.87(12) . . ?
C12Q C13Q C31Q 128.71(18) . . ?
C14Q C13Q C31Q 124.28(17) . . ?
C15Q C14Q N3Q 125.54(15) . . ?
C15Q C14Q C13Q 123.26(14) . . ?
N3Q C14Q C13Q 111.20(13) . . ?
C16Q C15Q C14Q 123.82(17) . . ?
C16Q C15Q H15Q 118.1 . . ?
C14Q C15Q H15Q 118.1 . . ?
C15Q C16Q N4Q 125.30(15) . . ?
C15Q C16Q C17Q 123.43(14) . . ?
N4Q C16Q C17Q 111.25(13) . . ?
C18Q C17Q C16Q 106.00(12) . . ?
C18Q C17Q C33Q 129.25(18) . . ?
C16Q C17Q C33Q 124.68(17) . . ?
C17Q C18Q C19Q 106.91(14) . . ?
C17Q C18Q C35Q 128.92(18) . . ?
C19Q C18Q C35Q 124.08(17) . . ?
N4Q C19Q C20Q 124.69(15) . . ?
N4Q C19Q C18Q 111.87(12) . . ?
C20Q C19Q C18Q 123.41(17) . . ?
C1Q C20Q C19Q 124.2(2) . . ?
C1Q C20Q H20Q 117.9 . . ?
C19Q C20Q H20Q 117.9 . . ?
C2Q C21Q C22Q 111.91(17) . . ?
C2Q C21Q H21C 109.2 . . ?
C22Q C21Q H21C 109.2 . . ?
C2Q C21Q H21D 109.2 . . ?
C22Q C21Q H21D 109.2 . . ?
H21C C21Q H21D 107.9 . . ?
C21Q C22Q H22D 109.5 . . ?
C21Q C22Q H22E 109.5 . . ?
H22D C22Q H22E 109.5 . . ?
C21Q C22Q H22F 109.5 . . ?
H22D C22Q H22F 109.5 . . ?
H22E C22Q H22F 109.5 . . ?
C3Q C23Q C24Q 112.47(18) . . ?
C3Q C23Q H23C 109.1 . . ?
C24Q C23Q H23C 109.1 . . ?
C3Q C23Q H23D 109.1 . . ?
C24Q C23Q H23D 109.1 . . ?
H23C C23Q H23D 107.8 . . ?
C23Q C24Q H24D 109.5 . . ?
C23Q C24Q H24E 109.5 . . ?
H24D C24Q H24E 109.5 . . ?
C23Q C24Q H24F 109.5 . . ?
H24D C24Q H24F 109.5 . . ?
H24E C24Q H24F 109.5 . . ?
C7Q C25Q C26Q 113.85(18) . . ?
C7Q C25Q H25C 108.8 . . ?
C26Q C25Q H25C 108.8 . . ?
C7Q C25Q H25D 108.8 . . ?
C26Q C25Q H25D 108.8 . . ?
H25C C25Q H25D 107.7 . . ?
C25Q C26Q H26D 109.5 . . ?
C25Q C26Q H26E 109.5 . . ?
H26D C26Q H26E 109.5 . . ?
C25Q C26Q H26F 109.5 . . ?
H26D C26Q H26F 109.5 . . ?
H26E C26Q H26F 109.5 . . ?
C8Q C27Q C28Q 111.8(2) . . ?
C8Q C27Q H27C 109.2 . . ?
C28Q C27Q H27C 109.3 . . ?
C8Q C27Q H27D 109.2 . . ?
C28Q C27Q H27D 109.2 . . ?
H27C C27Q H27D 107.9 . . ?
C27Q C28Q H28D 109.5 . . ?
C27Q C28Q H28E 109.5 . . ?
H28D C28Q H28E 109.5 . . ?
C27Q C28Q H28F 109.5 . . ?
H28D C28Q H28F 109.5 . . ?
H28E C28Q H28F 109.5 . . ?
C12Q C29Q C30Q 112.0(2) . . ?
C12Q C29Q H29C 109.2 . . ?
C30Q C29Q H29C 109.2 . . ?
C12Q C29Q H29D 109.2 . . ?
C30Q C29Q H29D 109.2 . . ?
H29C C29Q H29D 107.9 . . ?
C29Q C30Q H30D 109.5 . . ?
C29Q C30Q H30E 109.5 . . ?
H30D C30Q H30E 109.5 . . ?
C29Q C30Q H30F 109.5 . . ?
H30D C30Q H30F 109.5 . . ?
H30E C30Q H30F 109.5 . . ?
C13Q C31Q C32Q 114.35(18) . . ?
C13Q C31Q H31C 108.7 . . ?
C32Q C31Q H31C 108.7 . . ?
C13Q C31Q H31D 108.7 . . ?
C32Q C31Q H31D 108.7 . . ?
H31C C31Q H31D 107.6 . . ?
C31Q C32Q H32D 109.5 . . ?
C31Q C32Q H32E 109.5 . . ?
H32D C32Q H32E 109.5 . . ?
C31Q C32Q H32F 109.5 . . ?
H32D C32Q H32F 109.5 . . ?
H32E C32Q H32F 109.5 . . ?
C17Q C33Q C34Q 112.66(18) . . ?
C17Q C33Q H33C 109.1 . . ?
C34Q C33Q H33C 109.1 . . ?
C17Q C33Q H33D 109.1 . . ?
C34Q C33Q H33D 109.1 . . ?
H33C C33Q H33D 107.8 . . ?
C33Q C34Q H34D 109.5 . . ?
C33Q C34Q H34E 109.5 . . ?
H34D C34Q H34E 109.5 . . ?
C33Q C34Q H34F 109.5 . . ?
H34D C34Q H34F 109.5 . . ?
H34E C34Q H34F 109.5 . . ?
C18Q C35Q C36Q 111.78(17) . . ?
C18Q C35Q H35C 109.3 . . ?
C36Q C35Q H35C 109.3 . . ?
C18Q C35Q H35D 109.3 . . ?
C36Q C35Q H35D 109.3 . . ?
H35C C35Q H35D 107.9 . . ?
C35Q C36Q H36D 109.5 . . ?
C35Q C36Q H36E 109.5 . . ?
H36D C36Q H36E 109.5 . . ?
C35Q C36Q H36F 109.5 . . ?
H36D C36Q H36F 109.5 . . ?
H36E C36Q H36F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5A C1A C2A C3A 0.91(13) . . . . ?
C8A C1A C2A C3A -122.70(11) . . . . ?
Sc1A C1A C2A C3A -64.35(9) . . . . ?
C5A C1A C2A C57A 142.58(10) . . . . ?
C8A C1A C2A C57A 18.98(15) . . . . ?
Sc1A C1A C2A C57A 77.32(10) . . . . ?
C5A C1A C2A Sc1A 65.26(9) . . . . ?
C8A C1A C2A Sc1A -58.34(10) . . . . ?
C1A C2A C3A C4A -1.77(14) . . . . ?
C57A C2A C3A C4A -143.08(11) . . . . ?
Sc1A C2A C3A C4A -64.90(10) . . . . ?
C1A C2A C3A C40A 140.29(12) . . . . ?
C57A C2A C3A C40A -1.01(19) . . . . ?
Sc1A C2A C3A C40A 77.16(13) . . . . ?
C1A C2A C3A Sc1A 63.13(9) . . . . ?
C57A C2A C3A Sc1A -78.18(11) . . . . ?
C2A C3A C4A C5A 1.95(14) . . . . ?
C40A C3A C4A C5A -140.01(12) . . . . ?
Sc1A C3A C4A C5A -62.72(9) . . . . ?
C2A C3A C4A C43A 142.38(11) . . . . ?
C40A C3A C4A C43A 0.41(19) . . . . ?
Sc1A C3A C4A C43A 77.71(11) . . . . ?
C2A C3A C4A Sc1A 64.67(10) . . . . ?
C40A C3A C4A Sc1A -77.30(13) . . . . ?
C8A C1A C5A C6A 0.13(11) . . . . ?
C2A C1A C5A C6A -129.95(10) . . . . ?
Sc1A C1A C5A C6A -63.77(9) . . . . ?
C8A C1A C5A C4A 130.38(10) . . . . ?
C2A C1A C5A C4A 0.30(13) . . . . ?
Sc1A C1A C5A C4A 66.48(9) . . . . ?
C8A C1A C5A Sc1A 63.90(9) . . . . ?
C2A C1A C5A Sc1A -66.18(9) . . . . ?
C3A C4A C5A C1A -1.40(13) . . . . ?
C43A C4A C5A C1A -142.17(10) . . . . ?
Sc1A C4A C5A C1A -65.26(9) . . . . ?
C3A C4A C5A C6A 122.25(11) . . . . ?
C43A C4A C5A C6A -18.53(15) . . . . ?
Sc1A C4A C5A C6A 58.38(10) . . . . ?
C3A C4A C5A Sc1A 63.87(10) . . . . ?
C43A C4A C5A Sc1A -76.91(11) . . . . ?
C1A C5A C6A C7A -4.60(12) . . . . ?
C4A C5A C6A C7A -128.23(10) . . . . ?
Sc1A C5A C6A C7A -68.69(8) . . . . ?
C1A C5A C6A C56A 137.77(10) . . . . ?
C4A C5A C6A C56A 14.14(15) . . . . ?
Sc1A C5A C6A C56A 73.68(10) . . . . ?
C1A C5A C6A Sc1A 64.09(8) . . . . ?
C4A C5A C6A Sc1A -59.54(10) . . . . ?
C5A C6A C7A C8A 7.31(11) . . . . ?
C56A C6A C7A C8A -135.01(10) . . . . ?
Sc1A C6A C7A C8A -59.30(8) . . . . ?
C5A C6A C7A C12A 149.50(13) . . . . ?
C56A C6A C7A C12A 7.18(17) . . . . ?
Sc1A C6A C7A C12A 82.89(13) . . . . ?
C5A C6A C7A Sc1A 66.61(9) . . . . ?
C56A C6A C7A Sc1A -75.71(10) . . . . ?
C5A C1A C8A C7A 4.40(12) . . . . ?
C2A C1A C8A C7A 127.94(10) . . . . ?
Sc1A C1A C8A C7A 68.64(8) . . . . ?
C5A C1A C8A C9A -137.81(10) . . . . ?
C2A C1A C8A C9A -14.28(15) . . . . ?
Sc1A C1A C8A C9A -73.58(10) . . . . ?
C5A C1A C8A Sc1A -64.23(9) . . . . ?
C2A C1A C8A Sc1A 59.30(10) . . . . ?
C6A C7A C8A C1A -7.24(11) . . . . ?
C12A C7A C8A C1A -149.43(13) . . . . ?
Sc1A C7A C8A C1A -66.52(8) . . . . ?
C6A C7A C8A C9A 134.89(10) . . . . ?
C12A C7A C8A C9A -7.29(17) . . . . ?
Sc1A C7A C8A C9A 75.61(10) . . . . ?
C6A C7A C8A Sc1A 59.28(8) . . . . ?
C12A C7A C8A Sc1A -82.91(13) . . . . ?
C1A C8A C9A C58A -0.41(16) . . . . ?
C7A C8A C9A C58A -138.08(11) . . . . ?
Sc1A C8A C9A C58A -67.39(11) . . . . ?
C1A C8A C9A C10A 156.90(11) . . . . ?
C7A C8A C9A C10A 19.22(16) . . . . ?
Sc1A C8A C9A C10A 89.91(11) . . . . ?
C1A C8A C9A Sc1A 66.98(10) . . . . ?
C7A C8A C9A Sc1A -70.69(10) . . . . ?
C8A C9A C10A C70A -152.52(13) . . . . ?
C58A C9A C10A C70A 4.8(2) . . . . ?
Sc1A C9A C10A C70A -87.21(14) . . . . ?
C8A C9A C10A C11A -13.96(19) . . . . ?
C58A C9A C10A C11A 143.35(14) . . . . ?
Sc1A C9A C10A C11A 51.34(15) . . . . ?
C70A C10A C11A C16A -3.1(2) . . . . ?
C9A C10A C11A C16A -146.12(14) . . . . ?
C70A C10A C11A C12A 139.83(16) . . . . ?
C9A C10A C11A C12A -3.1(2) . . . . ?
C8A C7A C12A C11A -10.0(2) . . . . ?
C6A C7A C12A C11A -147.58(15) . . . . ?
Sc1A C7A C12A C11A -78.79(17) . . . . ?
C8A C7A C12A C13A 147.44(15) . . . . ?
C6A C7A C12A C13A 9.8(2) . . . . ?
Sc1A C7A C12A C13A 78.62(17) . . . . ?
C10A C11A C12A C7A 15.2(3) . . . . ?
C16A C11A C12A C7A 153.53(16) . . . . ?
C10A C11A C12A C13A -142.11(18) . . . . ?
C16A C11A C12A C13A -3.7(3) . . . . ?
C7A C12A C13A C55A -15.0(3) . . . . ?
C11A C12A C13A C55A 142.31(18) . . . . ?
C7A C12A C13A C14A -153.52(17) . . . . ?
C11A C12A C13A C14A 3.8(3) . . . . ?
C55A C13A C14A C52A -0.3(2) . . . . ?
C12A C13A C14A C52A 142.50(18) . . . . ?
C55A C13A C14A C15A -142.49(16) . . . . ?
C12A C13A C14A C15A 0.3(3) . . . . ?
C52A C14A C15A C20A 16.0(2) . . . . ?
C13A C14A C15A C20A 153.73(16) . . . . ?
C52A C14A C15A C16A -142.18(16) . . . . ?
C13A C14A C15A C16A -4.5(2) . . . . ?
C52A C14A C15A Sc3A -38.41(16) . . . . ?
C13A C14A C15A Sc3A 99.30(16) . . . . ?
C10A C11A C16A C17A 0.1(2) . . . . ?
C12A C11A C16A C17A -142.51(18) . . . . ?
C10A C11A C16A C15A 142.25(15) . . . . ?
C12A C11A C16A C15A -0.4(3) . . . . ?
C20A C15A C16A C11A -153.69(15) . . . . ?
C14A C15A C16A C11A 4.5(2) . . . . ?
Sc3A C15A C16A C11A -96.39(15) . . . . ?
C20A C15A C16A C17A -15.9(2) . . . . ?
C14A C15A C16A C17A 142.24(15) . . . . ?
Sc3A C15A C16A C17A 41.36(15) . . . . ?
C11A C16A C17A C70A 2.9(2) . . . . ?
C15A C16A C17A C70A -139.50(15) . . . . ?
C11A C16A C17A C18A 145.57(15) . . . . ?
C15A C16A C17A C18A 3.1(2) . . . . ?
C70A C17A C18A C19A 153.11(15) . . . . ?
C16A C17A C18A C19A 15.0(2) . . . . ?
C70A C17A C18A C67A -5.3(2) . . . . ?
C16A C17A C18A C67A -143.42(14) . . . . ?
C70A C17A C18A Sc3A 90.41(15) . . . . ?
C16A C17A C18A Sc3A -47.70(16) . . . . ?
C67A C18A C19A C23A 1.8(2) . . . . ?
C17A C18A C19A C23A -156.63(14) . . . . ?
Sc3A C18A C19A C23A -69.82(12) . . . . ?
C67A C18A C19A C20A 137.99(13) . . . . ?
C17A C18A C19A C20A -20.41(19) . . . . ?
Sc3A C18A C19A C20A 66.40(12) . . . . ?
C67A C18A C19A Sc3A 71.59(12) . . . . ?
C17A C18A C19A Sc3A -86.81(13) . . . . ?
C23A C19A C20A C21A 6.54(17) . . . . ?
C18A C19A C20A C21A -134.30(13) . . . . ?
Sc3A C19A C20A C21A -59.17(11) . . . . ?
C23A C19A C20A C15A 148.55(13) . . . . ?
C18A C19A C20A C15A 7.71(19) . . . . ?
Sc3A C19A C20A C15A 82.84(13) . . . . ?
C23A C19A C20A Sc3A 65.71(11) . . . . ?
C18A C19A C20A Sc3A -75.13(12) . . . . ?
C16A C15A C20A C21A 147.95(14) . . . . ?
C14A C15A C20A C21A -10.4(2) . . . . ?
Sc3A C15A C20A C21A 65.38(13) . . . . ?
C16A C15A C20A C19A 10.5(2) . . . . ?
C14A C15A C20A C19A -147.83(14) . . . . ?
Sc3A C15A C20A C19A -72.10(13) . . . . ?
C16A C15A C20A Sc3A 82.57(13) . . . . ?
C14A C15A C20A Sc3A -75.73(14) . . . . ?
C19A C20A C21A C22A -6.53(17) . . . . ?
C15A C20A C21A C22A -148.57(12) . . . . ?
Sc3A C20A C21A C22A -69.38(11) . . . . ?
C19A C20A C21A C53A 134.46(13) . . . . ?
C15A C20A C21A C53A -7.58(19) . . . . ?
Sc3A C20A C21A C53A 71.61(12) . . . . ?
C19A C20A C21A Sc3A 62.85(12) . . . . ?
C15A C20A C21A Sc3A -79.19(13) . . . . ?
C20A C21A C22A C23A 4.03(16) . . . . ?
C53A C21A C22A C23A -136.92(12) . . . . ?
Sc3A C21A C22A C23A -65.71(10) . . . . ?
C20A C21A C22A C26A 127.95(13) . . . . ?
C53A C21A C22A C26A -13.00(18) . . . . ?
Sc3A C21A C22A C26A 58.21(11) . . . . ?
C20A C21A C22A Sc3A 69.74(11) . . . . ?
C53A C21A C22A Sc3A -71.21(12) . . . . ?
C21A C22A C23A C24A 130.91(12) . . . . ?
C26A C22A C23A C24A 0.11(13) . . . . ?
Sc3A C22A C23A C24A 70.15(10) . . . . ?
C21A C22A C23A C19A 0.02(15) . . . . ?
C26A C22A C23A C19A -130.78(12) . . . . ?
Sc3A C22A C23A C19A -60.74(10) . . . . ?
C21A C22A C23A Sc3A 60.76(10) . . . . ?
C26A C22A C23A Sc3A -70.04(10) . . . . ?
C20A C19A C23A C22A -4.06(16) . . . . ?
C18A C19A C23A C22A 136.62(13) . . . . ?
Sc3A C19A C23A C22A 59.69(10) . . . . ?
C20A C19A C23A C24A -128.10(13) . . . . ?
C18A C19A C23A C24A 12.58(19) . . . . ?
Sc3A C19A C23A C24A -64.35(12) . . . . ?
C20A C19A C23A Sc3A -63.75(12) . . . . ?
C18A C19A C23A Sc3A 76.94(13) . . . . ?
C22A C23A C24A C25A -1.26(13) . . . . ?
C19A C23A C24A C25A 122.82(12) . . . . ?
Sc3A C23A C24A C25A 62.51(9) . . . . ?
C22A C23A C24A C66A -141.81(11) . . . . ?
C19A C23A C24A C66A -17.74(17) . . . . ?
Sc3A C23A C24A C66A -78.05(11) . . . . ?
C22A C23A C24A Sc3A -63.76(9) . . . . ?
C19A C23A C24A Sc3A 60.31(11) . . . . ?
C23A C24A C25A C26A 1.92(13) . . . . ?
C66A C24A C25A C26A 142.07(10) . . . . ?
Sc3A C24A C25A C26A 60.99(8) . . . . ?
C23A C24A C25A C30A -142.15(10) . . . . ?
C66A C24A C25A C30A -2.00(14) . . . . ?
Sc3A C24A C25A C30A -83.07(10) . . . . ?
C23A C24A C25A Sc3A -59.08(9) . . . . ?
C66A C24A C25A Sc3A 81.08(10) . . . . ?
C24A C25A C26A C22A -1.85(13) . . . . ?
C30A C25A C26A C22A 142.29(10) . . . . ?
Sc3A C25A C26A C22A 62.67(9) . . . . ?
C24A C25A C26A C27A -142.21(11) . . . . ?
C30A C25A C26A C27A 1.92(15) . . . . ?
Sc3A C25A C26A C27A -77.70(10) . . . . ?
C24A C25A C26A Sc3A -64.51(8) . . . . ?
C30A C25A C26A Sc3A 79.62(10) . . . . ?
C23A C22A C26A C25A 1.08(13) . . . . ?
C21A C22A C26A C25A -122.94(11) . . . . ?
Sc3A C22A C26A C25A -68.64(10) . . . . ?
C23A C22A C26A C27A 141.83(11) . . . . ?
C21A C22A C26A C27A 17.81(16) . . . . ?
Sc3A C22A C26A C27A 72.10(12) . . . . ?
C23A C22A C26A Sc3A 69.72(10) . . . . ?
C21A C22A C26A Sc3A -54.30(11) . . . . ?
C25A C26A C27A C54A 127.69(13) . . . . ?
C22A C26A C27A C54A -8.63(18) . . . . ?
Sc3A C26A C27A C54A 54.29(13) . . . . ?
C25A C26A C27A C28A -10.61(17) . . . . ?
C22A C26A C27A C28A -146.93(12) . . . . ?
Sc3A C26A C27A C28A -84.02(12) . . . . ?
C25A C26A C27A Sc3A 73.41(10) . . . . ?
C22A C26A C27A Sc3A -62.91(10) . . . . ?
C54A C27A C28A C48A 7.88(17) . . . . ?
C26A C27A C28A C48A 150.59(12) . . . . ?
Sc3A C27A C28A C48A 87.42(11) . . . . ?
C54A C27A C28A C29A -134.88(13) . . . . ?
C26A C27A C28A C29A 7.82(18) . . . . ?
Sc3A C27A C28A C29A -55.35(12) . . . . ?
C48A C28A C29A C34A 21.86(18) . . . . ?
C27A C28A C29A C34A 160.10(12) . . . . ?
C48A C28A C29A C30A -134.68(12) . . . . ?
C27A C28A C29A C30A 3.55(17) . . . . ?
C48A C28A C29A Sc2A -42.66(14) . . . . ?
C27A C28A C29A Sc2A 95.58(11) . . . . ?
C26A C25A C30A C29A 9.29(15) . . . . ?
C24A C25A C30A C29A 148.80(11) . . . . ?
Sc3A C25A C30A C29A 75.88(11) . . . . ?
C26A C25A C30A C31A -148.37(10) . . . . ?
C24A C25A C30A C31A -8.86(15) . . . . ?
Sc3A C25A C30A C31A -81.78(11) . . . . ?
C26A C25A C30A Sc2A -69.88(11) . . . . ?
C24A C25A C30A Sc2A 69.63(11) . . . . ?
Sc3A C25A C30A Sc2A -3.29(9) . . . . ?
C28A C29A C30A C25A -11.98(16) . . . . ?
C34A C29A C30A C25A -167.88(11) . . . . ?
Sc2A C29A C30A C25A -117.46(10) . . . . ?
C28A C29A C30A C31A 145.56(12) . . . . ?
C34A C29A C30A C31A -10.33(18) . . . . ?
Sc2A C29A C30A C31A 40.09(11) . . . . ?
C28A C29A C30A Sc2A 105.47(11) . . . . ?
C34A C29A C30A Sc2A -50.42(10) . . . . ?
C25A C30A C31A C32A 167.89(11) . . . . ?
C29A C30A C31A C32A 10.33(18) . . . . ?
Sc2A C30A C31A C32A 50.62(10) . . . . ?
C25A C30A C31A C65A 11.59(16) . . . . ?
C29A C30A C31A C65A -145.97(12) . . . . ?
Sc2A C30A C31A C65A -105.68(11) . . . . ?
C25A C30A C31A Sc2A 117.28(10) . . . . ?
C29A C30A C31A Sc2A -40.28(11) . . . . ?
C65A C31A C32A C62A 22.47(17) . . . . ?
C30A C31A C32A C62A -134.34(12) . . . . ?
Sc2A C31A C32A C62A -71.89(11) . . . . ?
C65A C31A C32A C33A 158.37(12) . . . . ?
C30A C31A C32A C33A 1.56(19) . . . . ?
Sc2A C31A C32A C33A 64.01(11) . . . . ?
C65A C31A C32A Sc2A 94.36(11) . . . . ?
C30A C31A C32A Sc2A -62.46(12) . . . . ?
C62A C32A C33A C37A 2.62(15) . . . . ?
C31A C32A C33A C37A -137.83(13) . . . . ?
Sc2A C32A C33A C37A -64.57(10) . . . . ?
C62A C32A C33A C34A 126.80(12) . . . . ?
C31A C32A C33A C34A -13.65(18) . . . . ?
Sc2A C32A C33A C34A 59.62(11) . . . . ?
C62A C32A C33A Sc2A 67.18(11) . . . . ?
C31A C32A C33A Sc2A -73.26(12) . . . . ?
C37A C33A C34A C35A -2.61(15) . . . . ?
C32A C33A C34A C35A -126.76(12) . . . . ?
Sc2A C33A C34A C35A -67.43(10) . . . . ?
C37A C33A C34A C29A 137.79(12) . . . . ?
C32A C33A C34A C29A 13.64(18) . . . . ?
Sc2A C33A C34A C29A 72.97(12) . . . . ?
C37A C33A C34A Sc2A 64.82(10) . . . . ?
C32A C33A C34A Sc2A -59.33(11) . . . . ?
C28A C29A C34A C35A -22.13(17) . . . . ?
C30A C29A C34A C35A 134.27(12) . . . . ?
Sc2A C29A C34A C35A 72.31(11) . . . . ?
C28A C29A C34A C33A -157.96(12) . . . . ?
C30A C29A C34A C33A -1.56(19) . . . . ?
Sc2A C29A C34A C33A -63.52(11) . . . . ?
C28A C29A C34A Sc2A -94.44(11) . . . . ?
C30A C29A C34A Sc2A 61.97(12) . . . . ?
C33A C34A C35A C36A 4.19(15) . . . . ?
C29A C34A C35A C36A -136.40(12) . . . . ?
Sc2A C34A C35A C36A -58.39(10) . . . . ?
C33A C34A C35A C47A 147.04(13) . . . . ?
C29A C34A C35A C47A 6.45(18) . . . . ?
Sc2A C34A C35A C47A 84.46(12) . . . . ?
C33A C34A C35A Sc2A 62.58(10) . . . . ?
C29A C34A C35A Sc2A -78.01(11) . . . . ?
C34A C35A C36A C37A -4.17(15) . . . . ?
C47A C35A C36A C37A -147.10(13) . . . . ?
Sc2A C35A C36A C37A -61.61(10) . . . . ?
C34A C35A C36A C41A 136.42(12) . . . . ?
C47A C35A C36A C41A -6.51(18) . . . . ?
Sc2A C35A C36A C41A 78.98(11) . . . . ?
C34A C35A C36A Sc2A 57.44(10) . . . . ?
C47A C35A C36A Sc2A -85.49(13) . . . . ?
C34A C33A C37A C38A -131.04(12) . . . . ?
C32A C33A C37A C38A 0.05(15) . . . . ?
Sc2A C33A C37A C38A -65.18(10) . . . . ?
C34A C33A C37A C36A 0.05(15) . . . . ?
C32A C33A C37A C36A 131.14(12) . . . . ?
Sc2A C33A C37A C36A 65.91(10) . . . . ?
C34A C33A C37A Sc2A -65.86(10) . . . . ?
C32A C33A C37A Sc2A 65.23(10) . . . . ?
C35A C36A C37A C33A 2.54(15) . . . . ?
C41A C36A C37A C33A -137.88(12) . . . . ?
Sc2A C36A C37A C33A -63.18(10) . . . . ?
C35A C36A C37A C38A 126.95(12) . . . . ?
C41A C36A C37A C38A -13.47(17) . . . . ?
Sc2A C36A C37A C38A 61.23(11) . . . . ?
C35A C36A C37A Sc2A 65.72(10) . . . . ?
C41A C36A C37A Sc2A -74.70(11) . . . . ?
C33A C37A C38A C62A -2.70(15) . . . . ?
C36A C37A C38A C62A -127.13(12) . . . . ?
Sc2A C37A C38A C62A -65.58(10) . . . . ?
C33A C37A C38A C39A 137.60(12) . . . . ?
C36A C37A C38A C39A 13.17(17) . . . . ?
Sc2A C37A C38A C39A 74.73(11) . . . . ?
C33A C37A C38A Sc2A 62.87(10) . . . . ?
C36A C37A C38A Sc2A -61.55(11) . . . . ?
C62A C38A C39A C40A 132.80(13) . . . . ?
C37A C38A C39A C40A -3.16(18) . . . . ?
Sc2A C38A C39A C40A 61.53(12) . . . . ?
C62A C38A C39A C61A -24.10(17) . . . . ?
C37A C38A C39A C61A -160.05(13) . . . . ?
Sc2A C38A C39A C61A -95.37(12) . . . . ?
C62A C38A C39A Sc2A 71.27(10) . . . . ?
C37A C38A C39A Sc2A -64.69(11) . . . . ?
C61A C39A C40A C41A 149.87(14) . . . . ?
C38A C39A C40A C41A -6.5(2) . . . . ?
Sc2A C39A C40A C41A 43.24(13) . . . . ?
C61A C39A C40A C3A -15.2(2) . . . . ?
C38A C39A C40A C3A -171.62(13) . . . . ?
Sc2A C39A C40A C3A -121.83(13) . . . . ?
C61A C39A C40A Sc1A 45.59(13) . . . . ?
C38A C39A C40A Sc1A -110.83(11) . . . . ?
Sc2A C39A C40A Sc1A -61.04(6) . . . . ?
C2A C3A C40A C39A 13.8(2) . . . . ?
C4A C3A C40A C39A 151.34(13) . . . . ?
Sc1A C3A C40A C39A 82.40(14) . . . . ?
C2A C3A C40A C41A -151.45(13) . . . . ?
C4A C3A C40A C41A -13.9(2) . . . . ?
Sc1A C3A C40A C41A -82.87(14) . . . . ?
C2A C3A C40A Sc1A -68.59(12) . . . . ?
C4A C3A C40A Sc1A 68.94(12) . . . . ?
C39A C40A C41A C42A -149.04(13) . . . . ?
C3A C40A C41A C42A 16.0(2) . . . . ?
Sc1A C40A C41A C42A -44.96(13) . . . . ?
C39A C40A C41A C36A 6.2(2) . . . . ?
C3A C40A C41A C36A 171.32(13) . . . . ?
Sc1A C40A C41A C36A 110.33(11) . . . . ?
C39A C40A C41A Sc2A -42.96(13) . . . . ?
C3A C40A C41A Sc2A 122.11(14) . . . . ?
Sc1A C40A C41A Sc2A 61.12(6) . . . . ?
C35A C36A C41A C40A -132.18(13) . . . . ?
C37A C36A C41A C40A 3.76(18) . . . . ?
Sc2A C36A C41A C40A -60.47(12) . . . . ?
C35A C36A C41A C42A 23.54(17) . . . . ?
C37A C36A C41A C42A 159.48(13) . . . . ?
Sc2A C36A C41A C42A 95.26(12) . . . . ?
C35A C36A C41A Sc2A -71.72(11) . . . . ?
C37A C36A C41A Sc2A 64.22(11) . . . . ?
C40A C41A C42A C43A -4.8(2) . . . . ?
C36A C41A C42A C43A -160.65(13) . . . . ?
Sc2A C41A C42A C43A -96.30(13) . . . . ?
C40A C41A C42A C46A 132.46(15) . . . . ?
C36A C41A C42A C46A -23.4(2) . . . . ?
Sc2A C41A C42A C46A 40.93(16) . . . . ?
C46A C42A C43A C44A -7.44(17) . . . . ?
C41A C42A C43A C44A 134.28(14) . . . . ?
C46A C42A C43A C4A -150.52(13) . . . . ?
C41A C42A C43A C4A -8.8(2) . . . . ?
C46A C42A C43A Sc1A -90.76(13) . . . . ?
C41A C42A C43A Sc1A 50.96(14) . . . . ?
C3A C4A C43A C44A -127.67(13) . . . . ?
C5A C4A C43A C44A 8.55(16) . . . . ?
Sc1A C4A C43A C44A -58.62(12) . . . . ?
C3A C4A C43A C42A 11.04(18) . . . . ?
C5A C4A C43A C42A 147.27(12) . . . . ?
Sc1A C4A C43A C42A 80.10(13) . . . . ?
C3A C4A C43A Sc1A -69.05(11) . . . . ?
C5A C4A C43A Sc1A 67.17(10) . . . . ?
C42A C43A C44A C45A 6.19(17) . . . . ?
C4A C43A C44A C45A 149.21(12) . . . . ?
Sc1A C43A C44A C45A 100.47(12) . . . . ?
C42A C43A C44A C56A -137.18(13) . . . . ?
C4A C43A C44A C56A 5.85(18) . . . . ?
Sc1A C43A C44A C56A -42.90(12) . . . . ?
C43A C44A C45A C46A -2.56(19) . . . . ?
C56A C44A C45A C46A 140.41(14) . . . . ?
C43A C44A C45A C50A -145.26(15) . . . . ?
C56A C44A C45A C50A -2.3(2) . . . . ?
C43A C42A C46A C45A 5.83(19) . . . . ?
C41A C42A C46A C45A -136.04(15) . . . . ?
C43A C42A C46A C47A 148.00(15) . . . . ?
C41A C42A C46A C47A 6.1(2) . . . . ?
C44A C45A C46A C42A -2.02(19) . . . . ?
C50A C45A C46A C42A 140.73(17) . . . . ?
C44A C45A C46A C47A -144.12(16) . . . . ?
C50A C45A C46A C47A -1.4(3) . . . . ?
C36A C35A C47A C48A 148.77(14) . . . . ?
C34A C35A C47A C48A 10.1(2) . . . . ?
Sc2A C35A C47A C48A 78.54(15) . . . . ?
C36A C35A C47A C46A -11.1(2) . . . . ?
C34A C35A C47A C46A -149.80(14) . . . . ?
Sc2A C35A C47A C46A -81.37(15) . . . . ?
C42A C46A C47A C35A 11.4(2) . . . . ?
C45A C46A C47A C35A 148.96(16) . . . . ?
C42A C46A C47A C48A -148.59(16) . . . . ?
C45A C46A C47A C48A -11.0(2) . . . . ?
C27A C28A C48A C49A -5.80(17) . . . . ?
C29A C28A C48A C49A 137.20(14) . . . . ?
C27A C28A C48A C47A -148.71(14) . . . . ?
C29A C28A C48A C47A -5.7(2) . . . . ?
C35A C47A C48A C28A -10.6(2) . . . . ?
C46A C47A C48A C28A 149.42(15) . . . . ?
C35A C47A C48A C49A -149.03(15) . . . . ?
C46A C47A C48A C49A 10.9(2) . . . . ?
C28A C48A C49A C54A 1.53(18) . . . . ?
C47A C48A C49A C54A 144.45(16) . . . . ?
C28A C48A C49A C50A -141.38(16) . . . . ?
C47A C48A C49A C50A 1.5(2) . . . . ?
C54A C49A C50A C45A -152.29(17) . . . . ?
C48A C49A C50A C45A -13.9(3) . . . . ?
C54A C49A C50A C51A 6.1(3) . . . . ?
C48A C49A C50A C51A 144.49(17) . . . . ?
C44A C45A C50A C49A 152.08(16) . . . . ?
C46A C45A C50A C49A 13.8(3) . . . . ?
C44A C45A C50A C51A -6.3(2) . . . . ?
C46A C45A C50A C51A -144.58(17) . . . . ?
C49A C50A C51A C55A -149.02(16) . . . . ?
C45A C50A C51A C55A 9.3(3) . . . . ?
C49A C50A C51A C52A -9.0(3) . . . . ?
C45A C50A C51A C52A 149.31(17) . . . . ?
C55A C51A C52A C14A 4.8(2) . . . . ?
C50A C51A C52A C14A -139.53(17) . . . . ?
C55A C51A C52A C53A 148.14(15) . . . . ?
C50A C51A C52A C53A 3.8(3) . . . . ?
C13A C14A C52A C51A -2.8(2) . . . . ?
C15A C14A C52A C51A 139.69(15) . . . . ?
C13A C14A C52A C53A -146.06(16) . . . . ?
C15A C14A C52A C53A -3.6(2) . . . . ?
C51A C52A C53A C54A 4.3(2) . . . . ?
C14A C52A C53A C54A 143.15(16) . . . . ?
C51A C52A C53A C21A -153.16(15) . . . . ?
C14A C52A C53A C21A -14.3(2) . . . . ?
C51A C52A C53A Sc3A -87.74(16) . . . . ?
C14A C52A C53A Sc3A 51.10(17) . . . . ?
C22A C21A C53A C54A -1.00(19) . . . . ?
C20A C21A C53A C54A -137.50(14) . . . . ?
Sc3A C21A C53A C54A -68.91(13) . . . . ?
C22A C21A C53A C52A 156.41(13) . . . . ?
C20A C21A C53A C52A 19.91(19) . . . . ?
Sc3A C21A C53A C52A 88.50(13) . . . . ?
C22A C21A C53A Sc3A 67.92(12) . . . . ?
C20A C21A C53A Sc3A -68.59(12) . . . . ?
C28A C27A C54A C49A -6.96(18) . . . . ?
C26A C27A C54A C49A -149.71(14) . . . . ?
Sc3A C27A C54A C49A -102.16(13) . . . . ?
C28A C27A C54A C53A 137.39(14) . . . . ?
C26A C27A C54A C53A -5.4(2) . . . . ?
Sc3A C27A C54A C53A 42.19(13) . . . . ?
C28A C27A C54A Sc3A 95.20(11) . . . . ?
C26A C27A C54A Sc3A -47.54(11) . . . . ?
C48A C49A C54A C27A 3.35(19) . . . . ?
C50A C49A C54A C27A 146.24(16) . . . . ?
C48A C49A C54A C53A -140.89(15) . . . . ?
C50A C49A C54A C53A 2.0(2) . . . . ?
C48A C49A C54A Sc3A -73.57(13) . . . . ?
C50A C49A C54A Sc3A 69.33(16) . . . . ?
C52A C53A C54A C27A -147.08(14) . . . . ?
C21A C53A C54A C27A 10.2(2) . . . . ?
Sc3A C53A C54A C27A -46.37(14) . . . . ?
C52A C53A C54A C49A -7.2(2) . . . . ?
C21A C53A C54A C49A 150.05(15) . . . . ?
Sc3A C53A C54A C49A 93.48(15) . . . . ?
C52A C53A C54A Sc3A -100.71(14) . . . . ?
C21A C53A C54A Sc3A 56.57(11) . . . . ?
C52A C51A C55A C13A -5.0(2) . . . . ?
C50A C51A C55A C13A 139.29(17) . . . . ?
C52A C51A C55A C56A -147.98(15) . . . . ?
C50A C51A C55A C56A -3.7(2) . . . . ?
C14A C13A C55A C51A 3.3(2) . . . . ?
C12A C13A C55A C51A -139.82(17) . . . . ?
C14A C13A C55A C56A 146.32(14) . . . . ?
C12A C13A C55A C56A 3.2(2) . . . . ?
C5A C6A C56A C44A 0.28(16) . . . . ?
C7A C6A C56A C44A 138.10(12) . . . . ?
Sc1A C6A C56A C44A 67.36(11) . . . . ?
C5A C6A C56A C55A -156.70(12) . . . . ?
C7A C6A C56A C55A -18.88(16) . . . . ?
Sc1A C6A C56A C55A -89.62(12) . . . . ?
C5A C6A C56A Sc1A -67.08(10) . . . . ?
C7A C6A C56A Sc1A 70.73(10) . . . . ?
C43A C44A C56A C6A -10.29(18) . . . . ?
C45A C44A C56A C6A -148.93(13) . . . . ?
C43A C44A C56A C55A 146.56(13) . . . . ?
C45A C44A C56A C55A 7.92(19) . . . . ?
C43A C44A C56A Sc1A 44.92(12) . . . . ?
C45A C44A C56A Sc1A -93.72(14) . . . . ?
C51A C55A C56A C6A 152.18(13) . . . . ?
C13A C55A C56A C6A 13.7(2) . . . . ?
C51A C55A C56A C44A -4.9(2) . . . . ?
C13A C55A C56A C44A -143.43(15) . . . . ?
C51A C55A C56A Sc1A 86.96(15) . . . . ?
C13A C55A C56A Sc1A -51.55(16) . . . . ?
C3A C2A C57A C58A 128.20(13) . . . . ?
C1A C2A C57A C58A -8.93(16) . . . . ?
Sc1A C2A C57A C58A 58.63(12) . . . . ?
C3A C2A C57A C61A -10.42(18) . . . . ?
C1A C2A C57A C61A -147.55(12) . . . . ?
Sc1A C2A C57A C61A -79.98(13) . . . . ?
C3A C2A C57A Sc1A 69.57(11) . . . . ?
C1A C2A C57A Sc1A -67.56(11) . . . . ?
C61A C57A C58A C59A -5.75(16) . . . . ?
C2A C57A C58A C59A -148.65(12) . . . . ?
Sc1A C57A C58A C59A -100.01(12) . . . . ?
C61A C57A C58A C9A 137.07(12) . . . . ?
C2A C57A C58A C9A -5.84(18) . . . . ?
Sc1A C57A C58A C9A 42.80(12) . . . . ?
C8A C9A C58A C57A 10.51(17) . . . . ?
C10A C9A C58A C57A -146.58(12) . . . . ?
Sc1A C9A C58A C57A -44.71(12) . . . . ?
C8A C9A C58A C59A 148.61(13) . . . . ?
C10A C9A C58A C59A -8.47(19) . . . . ?
Sc1A C9A C58A C59A 93.40(13) . . . . ?
C57A C58A C59A C60A 1.93(18) . . . . ?
C9A C58A C59A C60A -140.67(14) . . . . ?
C57A C58A C59A C69A 145.42(14) . . . . ?
C9A C58A C59A C69A 2.8(2) . . . . ?
C58A C59A C60A C61A 2.62(19) . . . . ?
C69A C59A C60A C61A -140.87(16) . . . . ?
C58A C59A C60A C63A 144.63(15) . . . . ?
C69A C59A C60A C63A 1.1(2) . . . . ?
C59A C60A C61A C57A -6.14(18) . . . . ?
C63A C60A C61A C57A -148.18(14) . . . . ?
C59A C60A C61A C39A 135.37(15) . . . . ?
C63A C60A C61A C39A -6.7(2) . . . . ?
C58A C57A C61A C60A 7.37(17) . . . . ?
C2A C57A C61A C60A 150.34(13) . . . . ?
Sc1A C57A C61A C60A 90.76(13) . . . . ?
C58A C57A C61A C39A -134.05(14) . . . . ?
C2A C57A C61A C39A 8.9(2) . . . . ?
Sc1A C57A C61A C39A -50.66(14) . . . . ?
C40A C39A C61A C60A -132.92(15) . . . . ?
C38A C39A C61A C60A 24.1(2) . . . . ?
Sc2A C39A C61A C60A -40.30(16) . . . . ?
C40A C39A C61A C57A 3.9(2) . . . . ?
C38A C39A C61A C57A 160.95(13) . . . . ?
Sc2A C39A C61A C57A 96.56(13) . . . . ?
C37A C38A C62A C63A 147.37(13) . . . . ?
C39A C38A C62A C63A 6.80(18) . . . . ?
Sc2A C38A C62A C63A 85.36(13) . . . . ?
C37A C38A C62A C32A 4.34(15) . . . . ?
C39A C38A C62A C32A -136.23(12) . . . . ?
Sc2A C38A C62A C32A -57.67(10) . . . . ?
C37A C38A C62A Sc2A 62.01(9) . . . . ?
C39A C38A C62A Sc2A -78.56(11) . . . . ?
C33A C32A C62A C38A -4.30(15) . . . . ?
C31A C32A C62A C38A 136.40(12) . . . . ?
Sc2A C32A C62A C38A 58.56(10) . . . . ?
C33A C32A C62A C63A -147.27(13) . . . . ?
C31A C32A C62A C63A -6.56(18) . . . . ?
Sc2A C32A C62A C63A -84.40(12) . . . . ?
C33A C32A C62A Sc2A -62.86(10) . . . . ?
C31A C32A C62A Sc2A 77.84(11) . . . . ?
C38A C62A C63A C64A -148.54(14) . . . . ?
C32A C62A C63A C64A -9.8(2) . . . . ?
Sc2A C62A C63A C64A -78.33(14) . . . . ?
C38A C62A C63A C60A 10.9(2) . . . . ?
C32A C62A C63A C60A 149.67(14) . . . . ?
Sc2A C62A C63A C60A 81.16(15) . . . . ?
C61A C60A C63A C62A -11.1(2) . . . . ?
C59A C60A C63A C62A -148.60(15) . . . . ?
C61A C60A C63A C64A 148.47(16) . . . . ?
C59A C60A C63A C64A 11.0(2) . . . . ?
C62A C63A C64A C65A 9.8(2) . . . . ?
C60A C63A C64A C65A -149.74(15) . . . . ?
C62A C63A C64A C68A 149.28(15) . . . . ?
C60A C63A C64A C68A -10.3(2) . . . . ?
C68A C64A C65A C66A 5.58(16) . . . . ?
C63A C64A C65A C66A 149.38(13) . . . . ?
C68A C64A C65A C31A -137.17(14) . . . . ?
C63A C64A C65A C31A 6.6(2) . . . . ?
C32A C31A C65A C64A -22.60(18) . . . . ?
C30A C31A C65A C64A 134.34(12) . . . . ?
Sc2A C31A C65A C64A 41.82(14) . . . . ?
C32A C31A C65A C66A -160.48(12) . . . . ?
C30A C31A C65A C66A -3.55(17) . . . . ?
Sc2A C31A C65A C66A -96.07(11) . . . . ?
C64A C65A C66A C67A -7.57(14) . . . . ?
C31A C65A C66A C67A 134.76(11) . . . . ?
C64A C65A C66A C24A -149.78(11) . . . . ?
C31A C65A C66A C24A -7.45(17) . . . . ?
C25A C24A C66A C67A -127.45(11) . . . . ?
C23A C24A C66A C67A 8.60(17) . . . . ?
Sc3A C24A C66A C67A -56.37(11) . . . . ?
C25A C24A C66A C65A 10.27(15) . . . . ?
C23A C24A C66A C65A 146.31(12) . . . . ?
Sc3A C24A C66A C65A 81.35(10) . . . . ?
C65A C66A C67A C68A 6.68(14) . . . . ?
C24A C66A C67A C68A 148.86(12) . . . . ?
C65A C66A C67A C18A -136.48(12) . . . . ?
C24A C66A C67A C18A 5.70(17) . . . . ?
C19A C18A C67A C66A -10.91(19) . . . . ?
C17A C18A C67A C66A 147.32(13) . . . . ?
Sc3A C18A C67A C66A 45.15(12) . . . . ?
C19A C18A C67A C68A -149.56(14) . . . . ?
C17A C18A C67A C68A 8.67(19) . . . . ?
Sc3A C18A C67A C68A -93.50(12) . . . . ?
C65A C64A C68A C67A -1.46(17) . . . . ?
C63A C64A C68A C67A -145.24(14) . . . . ?
C65A C64A C68A C69A 141.27(15) . . . . ?
C63A C64A C68A C69A -2.5(2) . . . . ?
C66A C67A C68A C64A -3.23(16) . . . . ?
C18A C67A C68A C64A 139.92(13) . . . . ?
C66A C67A C68A C69A -145.78(14) . . . . ?
C18A C67A C68A C69A -2.6(2) . . . . ?
C58A C59A C69A C70A 6.5(2) . . . . ?
C60A C59A C69A C70A 145.58(17) . . . . ?
C58A C59A C69A C68A -153.01(16) . . . . ?
C60A C59A C69A C68A -13.9(2) . . . . ?
C64A C68A C69A C59A 14.6(2) . . . . ?
C67A C68A C69A C59A 152.75(16) . . . . ?
C64A C68A C69A C70A -144.91(16) . . . . ?
C67A C68A C69A C70A -6.7(2) . . . . ?
C11A C10A C70A C17A 4.97(19) . . . . ?
C9A C10A C70A C17A 147.99(14) . . . . ?
C11A C10A C70A C69A -138.56(16) . . . . ?
C9A C10A C70A C69A 4.5(2) . . . . ?
C16A C17A C70A C10A -4.88(19) . . . . ?
C18A C17A C70A C10A -147.53(15) . . . . ?
C16A C17A C70A C69A 138.58(16) . . . . ?
C18A C17A C70A C69A -4.1(2) . . . . ?
C59A C69A C70A C10A -10.1(2) . . . . ?
C68A C69A C70A C10A 149.26(16) . . . . ?
C59A C69A C70A C17A -149.26(16) . . . . ?
C68A C69A C70A C17A 10.1(2) . . . . ?
C5B C1B C2B C3B 0.91(13) . . . . ?
C8B C1B C2B C3B -122.70(11) . . . . ?
Sc1B C1B C2B C3B -64.25(10) . . . . ?
C5B C1B C2B C57B 142.58(10) . . . . ?
C8B C1B C2B C57B 18.98(15) . . . . ?
Sc1B C1B C2B C57B 77.42(11) . . . . ?
C5B C1B C2B Sc1B 65.16(10) . . . . ?
C8B C1B C2B Sc1B -58.45(10) . . . . ?
C1B C2B C3B C4B -1.77(14) . . . . ?
C57B C2B C3B C4B -143.08(11) . . . . ?
Sc1B C2B C3B C4B -64.63(11) . . . . ?
C1B C2B C3B C40B 140.29(12) . . . . ?
C57B C2B C3B C40B -1.01(19) . . . . ?
Sc1B C2B C3B C40B 77.44(13) . . . . ?
C1B C2B C3B Sc1B 62.86(10) . . . . ?
C57B C2B C3B Sc1B -78.45(12) . . . . ?
C2B C3B C4B C5B 1.95(14) . . . . ?
C40B C3B C4B C5B -140.01(12) . . . . ?
Sc1B C3B C4B C5B -62.79(10) . . . . ?
C2B C3B C4B C43B 142.38(11) . . . . ?
C40B C3B C4B C43B 0.41(19) . . . . ?
Sc1B C3B C4B C43B 77.63(12) . . . . ?
C2B C3B C4B Sc1B 64.75(11) . . . . ?
C40B C3B C4B Sc1B -77.22(14) . . . . ?
C8B C1B C5B C6B 0.13(11) . . . . ?
C2B C1B C5B C6B -129.95(10) . . . . ?
Sc1B C1B C5B C6B -63.41(10) . . . . ?
C8B C1B C5B C4B 130.38(10) . . . . ?
C2B C1B C5B C4B 0.30(13) . . . . ?
Sc1B C1B C5B C4B 66.84(10) . . . . ?
C8B C1B C5B Sc1B 63.53(10) . . . . ?
C2B C1B C5B Sc1B -66.54(10) . . . . ?
C3B C4B C5B C1B -1.40(13) . . . . ?
C43B C4B C5B C1B -142.17(10) . . . . ?
Sc1B C4B C5B C1B -65.73(9) . . . . ?
C3B C4B C5B C6B 122.25(11) . . . . ?
C43B C4B C5B C6B -18.53(15) . . . . ?
Sc1B C4B C5B C6B 57.91(10) . . . . ?
C3B C4B C5B Sc1B 64.33(10) . . . . ?
C43B C4B C5B Sc1B -76.44(11) . . . . ?
C1B C5B C6B C7B -4.60(12) . . . . ?
C4B C5B C6B C7B -128.23(10) . . . . ?
Sc1B C5B C6B C7B -68.84(9) . . . . ?
C1B C5B C6B C56B 137.77(10) . . . . ?
C4B C5B C6B C56B 14.14(15) . . . . ?
Sc1B C5B C6B C56B 73.53(11) . . . . ?
C1B C5B C6B Sc1B 64.24(9) . . . . ?
C4B C5B C6B Sc1B -59.39(11) . . . . ?
C5B C6B C7B C8B 7.31(11) . . . . ?
C56B C6B C7B C8B -135.01(10) . . . . ?
Sc1B C6B C7B C8B -59.71(9) . . . . ?
C5B C6B C7B C12B 149.50(13) . . . . ?
C56B C6B C7B C12B 7.18(17) . . . . ?
Sc1B C6B C7B C12B 82.47(13) . . . . ?
C5B C6B C7B Sc1B 67.03(9) . . . . ?
C56B C6B C7B Sc1B -75.29(10) . . . . ?
C5B C1B C8B C7B 4.40(12) . . . . ?
C2B C1B C8B C7B 127.94(10) . . . . ?
Sc1B C1B C8B C7B 68.22(9) . . . . ?
C5B C1B C8B C9B -137.81(10) . . . . ?
C2B C1B C8B C9B -14.28(15) . . . . ?
Sc1B C1B C8B C9B -74.00(11) . . . . ?
C5B C1B C8B Sc1B -63.81(9) . . . . ?
C2B C1B C8B Sc1B 59.72(10) . . . . ?
C6B C7B C8B C1B -7.24(11) . . . . ?
C12B C7B C8B C1B -149.43(13) . . . . ?
Sc1B C7B C8B C1B -66.60(9) . . . . ?
C6B C7B C8B C9B 134.89(10) . . . . ?
C12B C7B C8B C9B -7.29(17) . . . . ?
Sc1B C7B C8B C9B 75.53(10) . . . . ?
C6B C7B C8B Sc1B 59.36(9) . . . . ?
C12B C7B C8B Sc1B -82.83(14) . . . . ?
C1B C8B C9B C58B -0.41(16) . . . . ?
C7B C8B C9B C58B -138.08(11) . . . . ?
Sc1B C8B C9B C58B -67.84(12) . . . . ?
C1B C8B C9B C10B 156.90(11) . . . . ?
C7B C8B C9B C10B 19.22(15) . . . . ?
Sc1B C8B C9B C10B 89.47(12) . . . . ?
C1B C8B C9B Sc1B 67.43(10) . . . . ?
C7B C8B C9B Sc1B -70.25(10) . . . . ?
C8B C9B C10B C70B -152.52(13) . . . . ?
C58B C9B C10B C70B 4.8(2) . . . . ?
Sc1B C9B C10B C70B -87.50(14) . . . . ?
C8B C9B C10B C11B -13.96(19) . . . . ?
C58B C9B C10B C11B 143.35(14) . . . . ?
Sc1B C9B C10B C11B 51.05(15) . . . . ?
C70B C10B C11B C16B -3.1(2) . . . . ?
C9B C10B C11B C16B -146.12(14) . . . . ?
C70B C10B C11B C12B 139.84(16) . . . . ?
C9B C10B C11B C12B -3.1(2) . . . . ?
C8B C7B C12B C11B -10.0(2) . . . . ?
C6B C7B C12B C11B -147.58(15) . . . . ?
Sc1B C7B C12B C11B -79.10(18) . . . . ?
C8B C7B C12B C13B 147.44(15) . . . . ?
C6B C7B C12B C13B 9.8(2) . . . . ?
Sc1B C7B C12B C13B 78.31(18) . . . . ?
C10B C11B C12B C7B 15.2(3) . . . . ?
C16B C11B C12B C7B 153.53(16) . . . . ?
C10B C11B C12B C13B -142.11(18) . . . . ?
C16B C11B C12B C13B -3.7(3) . . . . ?
C7B C12B C13B C55B -15.0(3) . . . . ?
C11B C12B C13B C55B 142.31(18) . . . . ?
C7B C12B C13B C14B -153.52(17) . . . . ?
C11B C12B C13B C14B 3.8(3) . . . . ?
C55B C13B C14B C52B -0.3(2) . . . . ?
C12B C13B C14B C52B 142.50(18) . . . . ?
C55B C13B C14B C15B -142.49(16) . . . . ?
C12B C13B C14B C15B 0.3(3) . . . . ?
C52B C14B C15B C20B 16.0(2) . . . . ?
C13B C14B C15B C20B 153.73(16) . . . . ?
C52B C14B C15B C16B -142.18(16) . . . . ?
C13B C14B C15B C16B -4.5(2) . . . . ?
C52B C14B C15B Sc3B -42.02(17) . . . . ?
C13B C14B C15B Sc3B 95.69(16) . . . . ?
C10B C11B C16B C17B 0.1(2) . . . . ?
C12B C11B C16B C17B -142.51(18) . . . . ?
C10B C11B C16B C15B 142.25(15) . . . . ?
C12B C11B C16B C15B -0.4(3) . . . . ?
C20B C15B C16B C11B -153.69(15) . . . . ?
C14B C15B C16B C11B 4.5(2) . . . . ?
Sc3B C15B C16B C11B -99.91(16) . . . . ?
C20B C15B C16B C17B -15.9(2) . . . . ?
C14B C15B C16B C17B 142.24(15) . . . . ?
Sc3B C15B C16B C17B 37.84(15) . . . . ?
C11B C16B C17B C70B 2.93(19) . . . . ?
C15B C16B C17B C70B -139.50(15) . . . . ?
C11B C16B C17B C18B 145.57(15) . . . . ?
C15B C16B C17B C18B 3.1(2) . . . . ?
C70B C17B C18B C19B 153.11(15) . . . . ?
C16B C17B C18B C19B 15.0(2) . . . . ?
C70B C17B C18B C67B -5.3(2) . . . . ?
C16B C17B C18B C67B -143.42(14) . . . . ?
C70B C17B C18B Sc3B 86.84(15) . . . . ?
C16B C17B C18B Sc3B -51.27(16) . . . . ?
C67B C18B C19B C23B 1.8(2) . . . . ?
C17B C18B C19B C23B -156.63(14) . . . . ?
Sc3B C18B C19B C23B -67.70(13) . . . . ?
C67B C18B C19B C20B 137.99(13) . . . . ?
C17B C18B C19B C20B -20.41(19) . . . . ?
Sc3B C18B C19B C20B 68.52(12) . . . . ?
C67B C18B C19B Sc3B 69.47(13) . . . . ?
C17B C18B C19B Sc3B -88.92(13) . . . . ?
C23B C19B C20B C21B 6.54(17) . . . . ?
C18B C19B C20B C21B -134.30(13) . . . . ?
Sc3B C19B C20B C21B -64.21(13) . . . . ?
C23B C19B C20B C15B 148.54(13) . . . . ?
C18B C19B C20B C15B 7.7(2) . . . . ?
Sc3B C19B C20B C15B 77.79(14) . . . . ?
C23B C19B C20B Sc3B 70.75(12) . . . . ?
C18B C19B C20B Sc3B -70.09(13) . . . . ?
C16B C15B C20B C21B 147.95(14) . . . . ?
C14B C15B C20B C21B -10.4(2) . . . . ?
Sc3B C15B C20B C21B 73.90(14) . . . . ?
C16B C15B C20B C19B 10.5(2) . . . . ?
C14B C15B C20B C19B -147.83(14) . . . . ?
Sc3B C15B C20B C19B -63.57(14) . . . . ?
C16B C15B C20B Sc3B 74.04(15) . . . . ?
C14B C15B C20B Sc3B -84.26(14) . . . . ?
C19B C20B C21B C22B -6.53(17) . . . . ?
C15B C20B C21B C22B -148.57(13) . . . . ?
Sc3B C20B C21B C22B -65.08(11) . . . . ?
C19B C20B C21B C53B 134.46(13) . . . . ?
C15B C20B C21B C53B -7.58(19) . . . . ?
Sc3B C20B C21B C53B 75.91(12) . . . . ?
C19B C20B C21B Sc3B 58.55(11) . . . . ?
C15B C20B C21B Sc3B -83.49(13) . . . . ?
C20B C21B C22B C23B 4.03(16) . . . . ?
C53B C21B C22B C23B -136.92(12) . . . . ?
Sc3B C21B C22B C23B -57.97(11) . . . . ?
C20B C21B C22B C26B 127.95(12) . . . . ?
C53B C21B C22B C26B -13.00(18) . . . . ?
Sc3B C21B C22B C26B 65.94(12) . . . . ?
C20B C21B C22B Sc3B 62.00(12) . . . . ?
C53B C21B C22B Sc3B -78.95(14) . . . . ?
C21B C22B C23B C24B 130.91(12) . . . . ?
C26B C22B C23B C24B 0.11(13) . . . . ?
Sc3B C22B C23B C24B 70.78(10) . . . . ?
C21B C22B C23B C19B 0.02(15) . . . . ?
C26B C22B C23B C19B -130.78(12) . . . . ?
Sc3B C22B C23B C19B -60.11(11) . . . . ?
C21B C22B C23B Sc3B 60.13(11) . . . . ?
C26B C22B C23B Sc3B -70.67(10) . . . . ?
C20B C19B C23B C22B -4.06(16) . . . . ?
C18B C19B C23B C22B 136.62(13) . . . . ?
Sc3B C19B C23B C22B 67.07(11) . . . . ?
C20B C19B C23B C24B -128.10(13) . . . . ?
C18B C19B C23B C24B 12.58(19) . . . . ?
Sc3B C19B C23B C24B -56.97(12) . . . . ?
C20B C19B C23B Sc3B -71.13(12) . . . . ?
C18B C19B C23B Sc3B 69.55(14) . . . . ?
C22B C23B C24B C25B -1.26(13) . . . . ?
C19B C23B C24B C25B 122.82(12) . . . . ?
Sc3B C23B C24B C25B 70.35(11) . . . . ?
C22B C23B C24B C66B -141.81(11) . . . . ?
C19B C23B C24B C66B -17.74(17) . . . . ?
Sc3B C23B C24B C66B -70.21(13) . . . . ?
C22B C23B C24B Sc3B -71.60(11) . . . . ?
C19B C23B C24B Sc3B 52.47(13) . . . . ?
C23B C24B C25B C26B 1.92(13) . . . . ?
C66B C24B C25B C26B 142.07(10) . . . . ?
Sc3B C24B C25B C26B 65.07(9) . . . . ?
C23B C24B C25B C30B -142.15(10) . . . . ?
C66B C24B C25B C30B -2.00(14) . . . . ?
Sc3B C24B C25B C30B -79.00(10) . . . . ?
C23B C24B C25B Sc3B -63.15(9) . . . . ?
C66B C24B C25B Sc3B 77.00(10) . . . . ?
C24B C25B C26B C22B -1.85(13) . . . . ?
C30B C25B C26B C22B 142.29(10) . . . . ?
Sc3B C25B C26B C22B 58.14(9) . . . . ?
C24B C25B C26B C27B -142.21(11) . . . . ?
C30B C25B C26B C27B 1.92(15) . . . . ?
Sc3B C25B C26B C27B -82.23(11) . . . . ?
C24B C25B C26B Sc3B -59.99(9) . . . . ?
C30B C25B C26B Sc3B 84.15(10) . . . . ?
C23B C22B C26B C25B 1.08(13) . . . . ?
C21B C22B C26B C25B -122.94(11) . . . . ?
Sc3B C22B C26B C25B -61.48(10) . . . . ?
C23B C22B C26B C27B 141.83(11) . . . . ?
C21B C22B C26B C27B 17.81(16) . . . . ?
Sc3B C22B C26B C27B 79.27(12) . . . . ?
C23B C22B C26B Sc3B 62.56(10) . . . . ?
C21B C22B C26B Sc3B -61.46(11) . . . . ?
C25B C26B C27B C54B 127.69(13) . . . . ?
C22B C26B C27B C54B -8.63(18) . . . . ?
Sc3B C26B C27B C54B 56.51(14) . . . . ?
C25B C26B C27B C28B -10.61(17) . . . . ?
C22B C26B C27B C28B -146.93(12) . . . . ?
Sc3B C26B C27B C28B -81.80(12) . . . . ?
C54B C27B C28B C48B 7.88(17) . . . . ?
C26B C27B C28B C48B 150.59(12) . . . . ?
C54B C27B C28B C29B -134.88(13) . . . . ?
C26B C27B C28B C29B 7.82(18) . . . . ?
C48B C28B C29B C34B 21.86(18) . . . . ?
C27B C28B C29B C34B 160.10(12) . . . . ?
C48B C28B C29B C30B -134.68(12) . . . . ?
C27B C28B C29B C30B 3.55(17) . . . . ?
C48B C28B C29B Sc2B -42.42(14) . . . . ?
C27B C28B C29B Sc2B 95.81(12) . . . . ?
C26B C25B C30B C29B 9.29(15) . . . . ?
C24B C25B C30B C29B 148.80(11) . . . . ?
Sc3B C25B C30B C29B 83.65(12) . . . . ?
C26B C25B C30B C31B -148.37(10) . . . . ?
C24B C25B C30B C31B -8.86(15) . . . . ?
Sc3B C25B C30B C31B -74.01(12) . . . . ?
C26B C25B C30B Sc2B -69.07(12) . . . . ?
C24B C25B C30B Sc2B 70.44(12) . . . . ?
Sc3B C25B C30B Sc2B 5.30(10) . . . . ?
C28B C29B C30B C25B -11.98(16) . . . . ?
C34B C29B C30B C25B -167.88(11) . . . . ?
Sc2B C29B C30B C25B -117.18(10) . . . . ?
C28B C29B C30B C31B 145.56(12) . . . . ?
C34B C29B C30B C31B -10.33(18) . . . . ?
Sc2B C29B C30B C31B 40.36(12) . . . . ?
C28B C29B C30B Sc2B 105.20(12) . . . . ?
C34B C29B C30B Sc2B -50.69(10) . . . . ?
C25B C30B C31B C32B 167.89(11) . . . . ?
C29B C30B C31B C32B 10.34(18) . . . . ?
Sc2B C30B C31B C32B 50.41(10) . . . . ?
C25B C30B C31B C65B 11.59(16) . . . . ?
C29B C30B C31B C65B -145.97(12) . . . . ?
Sc2B C30B C31B C65B -105.89(12) . . . . ?
C25B C30B C31B Sc2B 117.49(10) . . . . ?
C29B C30B C31B Sc2B -40.07(12) . . . . ?
C65B C31B C32B C62B 22.47(17) . . . . ?
C30B C31B C32B C62B -134.34(12) . . . . ?
Sc2B C31B C32B C62B -72.74(12) . . . . ?
C65B C31B C32B C33B 158.37(12) . . . . ?
C30B C31B C32B C33B 1.56(19) . . . . ?
Sc2B C31B C32B C33B 63.16(12) . . . . ?
C65B C31B C32B Sc2B 95.21(12) . . . . ?
C30B C31B C32B Sc2B -61.61(12) . . . . ?
C62B C32B C33B C37B 2.62(15) . . . . ?
C31B C32B C33B C37B -137.83(12) . . . . ?
Sc2B C32B C33B C37B -65.34(10) . . . . ?
C62B C32B C33B C34B 126.80(12) . . . . ?
C31B C32B C33B C34B -13.65(18) . . . . ?
Sc2B C32B C33B C34B 58.84(11) . . . . ?
C62B C32B C33B Sc2B 67.96(11) . . . . ?
C31B C32B C33B Sc2B -72.49(12) . . . . ?
C37B C33B C34B C35B -2.61(15) . . . . ?
C32B C33B C34B C35B -126.76(12) . . . . ?
Sc2B C33B C34B C35B -67.43(11) . . . . ?
C37B C33B C34B C29B 137.79(12) . . . . ?
C32B C33B C34B C29B 13.64(18) . . . . ?
Sc2B C33B C34B C29B 72.96(12) . . . . ?
C37B C33B C34B Sc2B 64.83(10) . . . . ?
C32B C33B C34B Sc2B -59.32(11) . . . . ?
C28B C29B C34B C35B -22.13(17) . . . . ?
C30B C29B C34B C35B 134.28(12) . . . . ?
Sc2B C29B C34B C35B 71.75(11) . . . . ?
C28B C29B C34B C33B -157.96(12) . . . . ?
C30B C29B C34B C33B -1.56(19) . . . . ?
Sc2B C29B C34B C33B -64.08(11) . . . . ?
C28B C29B C34B Sc2B -93.88(12) . . . . ?
C30B C29B C34B Sc2B 62.52(12) . . . . ?
C33B C34B C35B C36B 4.19(15) . . . . ?
C29B C34B C35B C36B -136.40(12) . . . . ?
Sc2B C34B C35B C36B -59.01(10) . . . . ?
C33B C34B C35B C47B 147.04(13) . . . . ?
C29B C34B C35B C47B 6.45(18) . . . . ?
Sc2B C34B C35B C47B 83.83(13) . . . . ?
C33B C34B C35B Sc2B 63.20(10) . . . . ?
C29B C34B C35B Sc2B -77.39(12) . . . . ?
C34B C35B C36B C37B -4.17(15) . . . . ?
C47B C35B C36B C37B -147.10(13) . . . . ?
Sc2B C35B C36B C37B -61.79(10) . . . . ?
C34B C35B C36B C41B 136.42(12) . . . . ?
C47B C35B C36B C41B -6.51(18) . . . . ?
Sc2B C35B C36B C41B 78.80(11) . . . . ?
C34B C35B C36B Sc2B 57.62(10) . . . . ?
C47B C35B C36B Sc2B -85.31(13) . . . . ?
C34B C33B C37B C38B -131.04(12) . . . . ?
C32B C33B C37B C38B 0.05(15) . . . . ?
Sc2B C33B C37B C38B -66.08(11) . . . . ?
C34B C33B C37B C36B 0.05(15) . . . . ?
C32B C33B C37B C36B 131.14(12) . . . . ?
Sc2B C33B C37B C36B 65.01(11) . . . . ?
C34B C33B C37B Sc2B -64.97(11) . . . . ?
C32B C33B C37B Sc2B 66.12(11) . . . . ?
C35B C36B C37B C33B 2.54(15) . . . . ?
C41B C36B C37B C33B -137.88(12) . . . . ?
Sc2B C36B C37B C33B -62.42(10) . . . . ?
C35B C36B C37B C38B 126.95(12) . . . . ?
C41B C36B C37B C38B -13.47(17) . . . . ?
Sc2B C36B C37B C38B 62.00(11) . . . . ?
C35B C36B C37B Sc2B 64.96(10) . . . . ?
C41B C36B C37B Sc2B -75.46(12) . . . . ?
C33B C37B C38B C62B -2.70(15) . . . . ?
C36B C37B C38B C62B -127.13(12) . . . . ?
Sc2B C37B C38B C62B -65.59(10) . . . . ?
C33B C37B C38B C39B 137.60(12) . . . . ?
C36B C37B C38B C39B 13.17(17) . . . . ?
Sc2B C37B C38B C39B 74.71(11) . . . . ?
C33B C37B C38B Sc2B 62.88(10) . . . . ?
C36B C37B C38B Sc2B -61.54(11) . . . . ?
C62B C38B C39B C40B 132.80(13) . . . . ?
C37B C38B C39B C40B -3.16(18) . . . . ?
Sc2B C38B C39B C40B 60.97(13) . . . . ?
C62B C38B C39B C61B -24.10(18) . . . . ?
C37B C38B C39B C61B -160.05(13) . . . . ?
Sc2B C38B C39B C61B -95.92(13) . . . . ?
C62B C38B C39B Sc2B 71.82(11) . . . . ?
C37B C38B C39B Sc2B -64.14(11) . . . . ?
C61B C39B C40B C41B 149.87(14) . . . . ?
C38B C39B C40B C41B -6.5(2) . . . . ?
Sc2B C39B C40B C41B 42.97(13) . . . . ?
C61B C39B C40B C3B -15.2(2) . . . . ?
C38B C39B C40B C3B -171.62(13) . . . . ?
Sc2B C39B C40B C3B -122.10(14) . . . . ?
C61B C39B C40B Sc1B 45.78(13) . . . . ?
C38B C39B C40B Sc1B -110.64(11) . . . . ?
Sc2B C39B C40B Sc1B -61.11(6) . . . . ?
C2B C3B C40B C39B 13.8(2) . . . . ?
C4B C3B C40B C39B 151.34(13) . . . . ?
Sc1B C3B C40B C39B 82.71(14) . . . . ?
C2B C3B C40B C41B -151.45(13) . . . . ?
C4B C3B C40B C41B -13.9(2) . . . . ?
Sc1B C3B C40B C41B -82.56(14) . . . . ?
C2B C3B C40B Sc1B -68.90(12) . . . . ?
C4B C3B C40B Sc1B 68.63(12) . . . . ?
C39B C40B C41B C42B -149.04(13) . . . . ?
C3B C40B C41B C42B 16.0(2) . . . . ?
Sc1B C40B C41B C42B -44.89(13) . . . . ?
C39B C40B C41B C36B 6.2(2) . . . . ?
C3B C40B C41B C36B 171.32(13) . . . . ?
Sc1B C40B C41B C36B 110.40(11) . . . . ?
C39B C40B C41B Sc2B -43.18(13) . . . . ?
C3B C40B C41B Sc2B 121.89(14) . . . . ?
Sc1B C40B C41B Sc2B 60.97(6) . . . . ?
C35B C36B C41B C40B -132.18(13) . . . . ?
C37B C36B C41B C40B 3.76(18) . . . . ?
Sc2B C36B C41B C40B -61.31(13) . . . . ?
C35B C36B C41B C42B 23.54(17) . . . . ?
C37B C36B C41B C42B 159.48(13) . . . . ?
Sc2B C36B C41B C42B 94.42(12) . . . . ?
C35B C36B C41B Sc2B -70.88(11) . . . . ?
C37B C36B C41B Sc2B 65.06(11) . . . . ?
C40B C41B C42B C43B -4.8(2) . . . . ?
C36B C41B C42B C43B -160.65(13) . . . . ?
Sc2B C41B C42B C43B -96.89(13) . . . . ?
C40B C41B C42B C46B 132.46(15) . . . . ?
C36B C41B C42B C46B -23.4(2) . . . . ?
Sc2B C41B C42B C46B 40.33(16) . . . . ?
C46B C42B C43B C44B -7.44(17) . . . . ?
C41B C42B C43B C44B 134.28(14) . . . . ?
C46B C42B C43B C4B -150.52(13) . . . . ?
C41B C42B C43B C4B -8.8(2) . . . . ?
C46B C42B C43B Sc1B -90.37(13) . . . . ?
C41B C42B C43B Sc1B 51.35(14) . . . . ?
C3B C4B C43B C44B -127.67(13) . . . . ?
C5B C4B C43B C44B 8.55(16) . . . . ?
Sc1B C4B C43B C44B -58.26(12) . . . . ?
C3B C4B C43B C42B 11.04(18) . . . . ?
C5B C4B C43B C42B 147.27(12) . . . . ?
Sc1B C4B C43B C42B 80.45(13) . . . . ?
C3B C4B C43B Sc1B -69.41(12) . . . . ?
C5B C4B C43B Sc1B 66.82(11) . . . . ?
C42B C43B C44B C45B 6.19(17) . . . . ?
C4B C43B C44B C45B 149.21(12) . . . . ?
Sc1B C43B C44B C45B 100.47(13) . . . . ?
C42B C43B C44B C56B -137.18(13) . . . . ?
C4B C43B C44B C56B 5.84(18) . . . . ?
Sc1B C43B C44B C56B -42.89(12) . . . . ?
C43B C44B C45B C46B -2.56(19) . . . . ?
C56B C44B C45B C46B 140.41(14) . . . . ?
C43B C44B C45B C50B -145.26(15) . . . . ?
C56B C44B C45B C50B -2.3(2) . . . . ?
C43B C42B C46B C45B 5.83(19) . . . . ?
C41B C42B C46B C45B -136.04(15) . . . . ?
C43B C42B C46B C47B 148.00(15) . . . . ?
C41B C42B C46B C47B 6.1(2) . . . . ?
C44B C45B C46B C42B -2.02(19) . . . . ?
C50B C45B C46B C42B 140.73(17) . . . . ?
C44B C45B C46B C47B -144.12(15) . . . . ?
C50B C45B C46B C47B -1.4(2) . . . . ?
C36B C35B C47B C48B 148.77(14) . . . . ?
C34B C35B C47B C48B 10.1(2) . . . . ?
Sc2B C35B C47B C48B 78.12(15) . . . . ?
C36B C35B C47B C46B -11.1(2) . . . . ?
C34B C35B C47B C46B -149.80(14) . . . . ?
Sc2B C35B C47B C46B -81.80(15) . . . . ?
C42B C46B C47B C35B 11.4(2) . . . . ?
C45B C46B C47B C35B 148.96(16) . . . . ?
C42B C46B C47B C48B -148.59(16) . . . . ?
C45B C46B C47B C48B -11.0(2) . . . . ?
C27B C28B C48B C49B -5.80(17) . . . . ?
C29B C28B C48B C49B 137.20(14) . . . . ?
C27B C28B C48B C47B -148.71(14) . . . . ?
C29B C28B C48B C47B -5.7(2) . . . . ?
C35B C47B C48B C28B -10.6(2) . . . . ?
C46B C47B C48B C28B 149.42(15) . . . . ?
C35B C47B C48B C49B -149.03(15) . . . . ?
C46B C47B C48B C49B 10.9(2) . . . . ?
C28B C48B C49B C54B 1.53(18) . . . . ?
C47B C48B C49B C54B 144.45(16) . . . . ?
C28B C48B C49B C50B -141.38(16) . . . . ?
C47B C48B C49B C50B 1.5(2) . . . . ?
C54B C49B C50B C45B -152.29(17) . . . . ?
C48B C49B C50B C45B -13.9(3) . . . . ?
C54B C49B C50B C51B 6.1(3) . . . . ?
C48B C49B C50B C51B 144.49(17) . . . . ?
C44B C45B C50B C49B 152.08(16) . . . . ?
C46B C45B C50B C49B 13.8(3) . . . . ?
C44B C45B C50B C51B -6.3(2) . . . . ?
C46B C45B C50B C51B -144.58(17) . . . . ?
C49B C50B C51B C55B -149.02(16) . . . . ?
C45B C50B C51B C55B 9.3(3) . . . . ?
C49B C50B C51B C52B -9.0(3) . . . . ?
C45B C50B C51B C52B 149.31(17) . . . . ?
C55B C51B C52B C14B 4.8(2) . . . . ?
C50B C51B C52B C14B -139.53(17) . . . . ?
C55B C51B C52B C53B 148.14(15) . . . . ?
C50B C51B C52B C53B 3.8(3) . . . . ?
C13B C14B C52B C51B -2.8(2) . . . . ?
C15B C14B C52B C51B 139.69(15) . . . . ?
C13B C14B C52B C53B -146.06(16) . . . . ?
C15B C14B C52B C53B -3.6(2) . . . . ?
C51B C52B C53B C54B 4.3(2) . . . . ?
C14B C52B C53B C54B 143.15(16) . . . . ?
C51B C52B C53B C21B -153.16(15) . . . . ?
C14B C52B C53B C21B -14.3(2) . . . . ?
C51B C52B C53B Sc3B -91.78(16) . . . . ?
C14B C52B C53B Sc3B 47.06(17) . . . . ?
C22B C21B C53B C54B -1.00(19) . . . . ?
C20B C21B C53B C54B -137.50(14) . . . . ?
Sc3B C21B C53B C54B -72.01(14) . . . . ?
C22B C21B C53B C52B 156.41(13) . . . . ?
C20B C21B C53B C52B 19.91(19) . . . . ?
Sc3B C21B C53B C52B 85.39(14) . . . . ?
C22B C21B C53B Sc3B 71.02(12) . . . . ?
C20B C21B C53B Sc3B -65.49(12) . . . . ?
C28B C27B C54B C49B -6.96(18) . . . . ?
C26B C27B C54B C49B -149.71(14) . . . . ?
C28B C27B C54B C53B 137.39(14) . . . . ?
C26B C27B C54B C53B -5.4(2) . . . . ?
C48B C49B C54B C27B 3.35(19) . . . . ?
C50B C49B C54B C27B 146.24(16) . . . . ?
C48B C49B C54B C53B -140.89(15) . . . . ?
C50B C49B C54B C53B 2.0(2) . . . . ?
C52B C53B C54B C27B -147.08(15) . . . . ?
C21B C53B C54B C27B 10.2(2) . . . . ?
Sc3B C53B C54B C27B -45.38(15) . . . . ?
C52B C53B C54B C49B -7.2(2) . . . . ?
C21B C53B C54B C49B 150.05(15) . . . . ?
Sc3B C53B C54B C49B 94.47(15) . . . . ?
C52B C51B C55B C13B -5.0(2) . . . . ?
C50B C51B C55B C13B 139.29(17) . . . . ?
C52B C51B C55B C56B -147.98(15) . . . . ?
C50B C51B C55B C56B -3.7(2) . . . . ?
C14B C13B C55B C51B 3.3(2) . . . . ?
C12B C13B C55B C51B -139.82(17) . . . . ?
C14B C13B C55B C56B 146.32(14) . . . . ?
C12B C13B C55B C56B 3.2(2) . . . . ?
C5B C6B C56B C44B 0.28(16) . . . . ?
C7B C6B C56B C44B 138.10(12) . . . . ?
Sc1B C6B C56B C44B 67.60(12) . . . . ?
C5B C6B C56B C55B -156.70(12) . . . . ?
C7B C6B C56B C55B -18.88(16) . . . . ?
Sc1B C6B C56B C55B -89.38(12) . . . . ?
C5B C6B C56B Sc1B -67.32(10) . . . . ?
C7B C6B C56B Sc1B 70.50(11) . . . . ?
C43B C44B C56B C6B -10.29(18) . . . . ?
C45B C44B C56B C6B -148.93(13) . . . . ?
C43B C44B C56B C55B 146.56(13) . . . . ?
C45B C44B C56B C55B 7.92(19) . . . . ?
C43B C44B C56B Sc1B 45.14(12) . . . . ?
C45B C44B C56B Sc1B -93.50(14) . . . . ?
C51B C55B C56B C6B 152.18(13) . . . . ?
C13B C55B C56B C6B 13.7(2) . . . . ?
C51B C55B C56B C44B -4.9(2) . . . . ?
C13B C55B C56B C44B -143.43(15) . . . . ?
C51B C55B C56B Sc1B 86.94(15) . . . . ?
C13B C55B C56B Sc1B -51.57(16) . . . . ?
C3B C2B C57B C58B 128.20(13) . . . . ?
C1B C2B C57B C58B -8.93(16) . . . . ?
Sc1B C2B C57B C58B 58.47(12) . . . . ?
C3B C2B C57B C61B -10.42(18) . . . . ?
C1B C2B C57B C61B -147.55(13) . . . . ?
Sc1B C2B C57B C61B -80.14(13) . . . . ?
C3B C2B C57B Sc1B 69.73(12) . . . . ?
C1B C2B C57B Sc1B -67.41(11) . . . . ?
C61B C57B C58B C59B -5.74(16) . . . . ?
C2B C57B C58B C59B -148.65(12) . . . . ?
Sc1B C57B C58B C59B -100.09(12) . . . . ?
C61B C57B C58B C9B 137.07(12) . . . . ?
C2B C57B C58B C9B -5.84(18) . . . . ?
Sc1B C57B C58B C9B 42.72(12) . . . . ?
C8B C9B C58B C57B 10.51(17) . . . . ?
C10B C9B C58B C57B -146.58(12) . . . . ?
Sc1B C9B C58B C57B -44.84(12) . . . . ?
C8B C9B C58B C59B 148.61(13) . . . . ?
C10B C9B C58B C59B -8.47(19) . . . . ?
Sc1B C9B C58B C59B 93.26(14) . . . . ?
C57B C58B C59B C60B 1.93(18) . . . . ?
C9B C58B C59B C60B -140.67(14) . . . . ?
C57B C58B C59B C69B 145.42(14) . . . . ?
C9B C58B C59B C69B 2.8(2) . . . . ?
C58B C59B C60B C61B 2.62(19) . . . . ?
C69B C59B C60B C61B -140.87(16) . . . . ?
C58B C59B C60B C63B 144.63(15) . . . . ?
C69B C59B C60B C63B 1.1(2) . . . . ?
C59B C60B C61B C57B -6.14(18) . . . . ?
C63B C60B C61B C57B -148.18(14) . . . . ?
C59B C60B C61B C39B 135.37(15) . . . . ?
C63B C60B C61B C39B -6.7(2) . . . . ?
C58B C57B C61B C60B 7.37(17) . . . . ?
C2B C57B C61B C60B 150.34(13) . . . . ?
Sc1B C57B C61B C60B 90.67(13) . . . . ?
C58B C57B C61B C39B -134.05(14) . . . . ?
C2B C57B C61B C39B 8.9(2) . . . . ?
Sc1B C57B C61B C39B -50.75(15) . . . . ?
C40B C39B C61B C60B -132.92(15) . . . . ?
C38B C39B C61B C60B 24.1(2) . . . . ?
Sc2B C39B C61B C60B -40.53(16) . . . . ?
C40B C39B C61B C57B 3.9(2) . . . . ?
C38B C39B C61B C57B 160.95(13) . . . . ?
Sc2B C39B C61B C57B 96.33(13) . . . . ?
C37B C38B C62B C63B 147.37(13) . . . . ?
C39B C38B C62B C63B 6.80(18) . . . . ?
Sc2B C38B C62B C63B 85.96(13) . . . . ?
C37B C38B C62B C32B 4.34(15) . . . . ?
C39B C38B C62B C32B -136.23(12) . . . . ?
Sc2B C38B C62B C32B -57.07(10) . . . . ?
C37B C38B C62B Sc2B 61.41(10) . . . . ?
C39B C38B C62B Sc2B -79.16(11) . . . . ?
C33B C32B C62B C38B -4.30(15) . . . . ?
C31B C32B C62B C38B 136.40(12) . . . . ?
Sc2B C32B C62B C38B 58.37(10) . . . . ?
C33B C32B C62B C63B -147.27(13) . . . . ?
C31B C32B C62B C63B -6.56(18) . . . . ?
Sc2B C32B C62B C63B -84.59(12) . . . . ?
C33B C32B C62B Sc2B -62.67(10) . . . . ?
C31B C32B C62B Sc2B 78.03(12) . . . . ?
C38B C62B C63B C64B -148.54(14) . . . . ?
C32B C62B C63B C64B -9.8(2) . . . . ?
Sc2B C62B C63B C64B -77.94(15) . . . . ?
C38B C62B C63B C60B 10.9(2) . . . . ?
C32B C62B C63B C60B 149.67(14) . . . . ?
Sc2B C62B C63B C60B 81.55(15) . . . . ?
C61B C60B C63B C62B -11.1(2) . . . . ?
C59B C60B C63B C62B -148.60(15) . . . . ?
C61B C60B C63B C64B 148.47(16) . . . . ?
C59B C60B C63B C64B 11.0(2) . . . . ?
C62B C63B C64B C65B 9.8(2) . . . . ?
C60B C63B C64B C65B -149.74(15) . . . . ?
C62B C63B C64B C68B 149.28(15) . . . . ?
C60B C63B C64B C68B -10.3(2) . . . . ?
C68B C64B C65B C66B 5.58(16) . . . . ?
C63B C64B C65B C66B 149.38(13) . . . . ?
C68B C64B C65B C31B -137.17(14) . . . . ?
C63B C64B C65B C31B 6.6(2) . . . . ?
C32B C31B C65B C64B -22.60(18) . . . . ?
C30B C31B C65B C64B 134.34(12) . . . . ?
Sc2B C31B C65B C64B 42.43(14) . . . . ?
C32B C31B C65B C66B -160.48(12) . . . . ?
C30B C31B C65B C66B -3.55(17) . . . . ?
Sc2B C31B C65B C66B -95.45(11) . . . . ?
C64B C65B C66B C67B -7.57(14) . . . . ?
C31B C65B C66B C67B 134.76(11) . . . . ?
C64B C65B C66B C24B -149.78(11) . . . . ?
C31B C65B C66B C24B -7.45(17) . . . . ?
C64B C65B C66B Sc3B -85.68(12) . . . . ?
C31B C65B C66B Sc3B 56.65(13) . . . . ?
C25B C24B C66B C67B -127.45(11) . . . . ?
C23B C24B C66B C67B 8.60(17) . . . . ?
Sc3B C24B C66B C67B -53.14(12) . . . . ?
C25B C24B C66B C65B 10.27(15) . . . . ?
C23B C24B C66B C65B 146.31(12) . . . . ?
Sc3B C24B C66B C65B 84.58(11) . . . . ?
C25B C24B C66B Sc3B -74.31(10) . . . . ?
C23B C24B C66B Sc3B 61.74(11) . . . . ?
C65B C66B C67B C68B 6.68(14) . . . . ?
C24B C66B C67B C68B 148.86(12) . . . . ?
Sc3B C66B C67B C68B 101.45(11) . . . . ?
C65B C66B C67B C18B -136.48(12) . . . . ?
C24B C66B C67B C18B 5.70(17) . . . . ?
Sc3B C66B C67B C18B -41.72(11) . . . . ?
C65B C66B C67B Sc3B -94.76(9) . . . . ?
C24B C66B C67B Sc3B 47.42(10) . . . . ?
C19B C18B C67B C66B -10.91(19) . . . . ?
C17B C18B C67B C66B 147.32(13) . . . . ?
Sc3B C18B C67B C66B 46.54(12) . . . . ?
C19B C18B C67B C68B -149.56(14) . . . . ?
C17B C18B C67B C68B 8.67(19) . . . . ?
Sc3B C18B C67B C68B -92.10(13) . . . . ?
C19B C18B C67B Sc3B -57.46(11) . . . . ?
C17B C18B C67B Sc3B 100.78(14) . . . . ?
C65B C64B C68B C67B -1.46(17) . . . . ?
C63B C64B C68B C67B -145.24(14) . . . . ?
C65B C64B C68B C69B 141.27(15) . . . . ?
C63B C64B C68B C69B -2.5(2) . . . . ?
C66B C67B C68B C64B -3.23(16) . . . . ?
C18B C67B C68B C64B 139.92(13) . . . . ?
Sc3B C67B C68B C64B 74.13(13) . . . . ?
C66B C67B C68B C69B -145.78(14) . . . . ?
C18B C67B C68B C69B -2.6(2) . . . . ?
Sc3B C67B C68B C69B -68.42(16) . . . . ?
C58B C59B C69B C70B 6.5(2) . . . . ?
C60B C59B C69B C70B 145.58(16) . . . . ?
C58B C59B C69B C68B -153.02(16) . . . . ?
C60B C59B C69B C68B -13.9(2) . . . . ?
C64B C68B C69B C59B 14.6(2) . . . . ?
C67B C68B C69B C59B 152.75(15) . . . . ?
C64B C68B C69B C70B -144.91(16) . . . . ?
C67B C68B C69B C70B -6.7(2) . . . . ?
C11B C10B C70B C17B 4.97(19) . . . . ?
C9B C10B C70B C17B 147.99(14) . . . . ?
C11B C10B C70B C69B -138.56(16) . . . . ?
C9B C10B C70B C69B 4.5(2) . . . . ?
C16B C17B C70B C10B -4.88(19) . . . . ?
C18B C17B C70B C10B -147.53(15) . . . . ?
C16B C17B C70B C69B 138.58(16) . . . . ?
C18B C17B C70B C69B -4.1(2) . . . . ?
C59B C69B C70B C10B -10.1(2) . . . . ?
C68B C69B C70B C10B 149.26(16) . . . . ?
C59B C69B C70B C17B -149.26(16) . . . . ?
C68B C69B C70B C17B 10.1(2) . . . . ?
C3S C1S C2S C3S -2.1(14) . . . 3_756 ?
C2S C1S C3S C2S 2.1(14) . . . 3_756 ?
C9S C4S C5S C6S 2.9(10) . . . . ?
C10S C4S C5S C6S -175.8(7) . . . . ?
C4S C5S C6S C7S -2.1(8) . . . . ?
C5S C6S C7S C8S 0.8(10) . . . . ?
C6S C7S C8S C9S -0.3(10) . . . . ?
C5S C4S C9S C8S -2.4(10) . . . . ?
C10S C4S C9S C8S 176.3(7) . . . . ?
C7S C8S C9S C4S 1.0(9) . . . . ?
C4P N1P C1P C20P -178.7(2) . . . . ?
Ni1P N1P C1P C20P -0.3(3) . . . . ?
C4P N1P C1P C2P -0.42(19) . . . . ?
Ni1P N1P C1P C2P 177.97(12) . . . . ?
C20P C1P C2P C3P 178.3(2) . . . . ?
N1P C1P C2P C3P 0.0(2) . . . . ?
C20P C1P C2P C21P 1.3(3) . . . . ?
N1P C1P C2P C21P -177.04(16) . . . . ?
C1P C2P C3P C4P 0.47(19) . . . . ?
C21P C2P C3P C4P 177.28(17) . . . . ?
C1P C2P C3P C23P -176.29(19) . . . . ?
C21P C2P C3P C23P 0.5(3) . . . . ?
C1P N1P C4P C5P 179.41(17) . . . . ?
Ni1P N1P C4P C5P 1.0(3) . . . . ?
C1P N1P C4P C3P 0.71(19) . . . . ?
Ni1P N1P C4P C3P -177.69(12) . . . . ?
C2P C3P C4P C5P -179.46(17) . . . . ?
C23P C3P C4P C5P -2.5(3) . . . . ?
C2P C3P C4P N1P -0.76(19) . . . . ?
C23P C3P C4P N1P 176.20(18) . . . . ?
N1P C4P C5P C6P -2.2(3) . . . . ?
C3P C4P C5P C6P 176.34(19) . . . . ?
C4P C5P C6P N2P 2.3(3) . . . . ?
C4P C5P C6P C7P -177.63(19) . . . . ?
C9P N2P C6P C5P -179.41(19) . . . . ?
Ni1P N2P C6P C5P -1.3(3) . . . . ?
C9P N2P C6P C7P 0.6(2) . . . . ?
Ni1P N2P C6P C7P 178.66(13) . . . . ?
C5P C6P C7P C8P 178.9(2) . . . . ?
N2P C6P C7P C8P -1.1(2) . . . . ?
C5P C6P C7P C25P 2.2(3) . . . . ?
N2P C6P C7P C25P -177.74(19) . . . . ?
C6P C7P C8P C9P 1.1(2) . . . . ?
C25P C7P C8P C9P 177.5(2) . . . . ?
C6P C7P C8P C27P -177.1(2) . . . . ?
C25P C7P C8P C27P -0.7(4) . . . . ?
C6P N2P C9P C10P 179.6(2) . . . . ?
Ni1P N2P C9P C10P 1.5(3) . . . . ?
C6P N2P C9P C8P 0.1(2) . . . . ?
Ni1P N2P C9P C8P -177.96(14) . . . . ?
C7P C8P C9P C10P 179.7(2) . . . . ?
C27P C8P C9P C10P -2.0(3) . . . . ?
C7P C8P C9P N2P -0.8(2) . . . . ?
C27P C8P C9P N2P 177.49(19) . . . . ?
N2P C9P C10P C11P -2.9(4) . . . . ?
C8P C9P C10P C11P 176.5(2) . . . . ?
C9P C10P C11P N3P 2.2(3) . . . . ?
C9P C10P C11P C12P -175.7(2) . . . . ?
C14P N3P C11P C10P -179.02(19) . . . . ?
Ni1P N3P C11P C10P -0.2(3) . . . . ?
C14P N3P C11P C12P -0.82(19) . . . . ?
Ni1P N3P C11P C12P 177.99(13) . . . . ?
C10P C11P C12P C13P 179.2(2) . . . . ?
N3P C11P C12P C13P 1.0(2) . . . . ?
C10P C11P C12P C29P 1.5(3) . . . . ?
N3P C11P C12P C29P -176.69(18) . . . . ?
C11P C12P C13P C14P -0.72(19) . . . . ?
C29P C12P C13P C14P 176.86(19) . . . . ?
C11P C12P C13P C31P -176.4(2) . . . . ?
C29P C12P C13P C31P 1.2(3) . . . . ?
C11P N3P C14P C15P 179.48(18) . . . . ?
Ni1P N3P C14P C15P 0.7(3) . . . . ?
C11P N3P C14P C13P 0.4(2) . . . . ?
Ni1P N3P C14P C13P -178.45(13) . . . . ?
C12P C13P C14P C15P -178.89(18) . . . . ?
C31P C13P C14P C15P -3.0(3) . . . . ?
C12P C13P C14P N3P 0.2(2) . . . . ?
C31P C13P C14P N3P 176.16(18) . . . . ?
N3P C14P C15P C16P -1.7(3) . . . . ?
C13P C14P C15P C16P 177.27(18) . . . . ?
C14P C15P C16P N4P 1.8(3) . . . . ?
C14P C15P C16P C17P -176.98(18) . . . . ?
C19P N4P C16P C15P -179.52(18) . . . . ?
Ni1P N4P C16P C15P -0.8(3) . . . . ?
C19P N4P C16P C17P -0.6(2) . . . . ?
Ni1P N4P C16P C17P 178.10(13) . . . . ?
C15P C16P C17P C18P 179.36(18) . . . . ?
N4P C16P C17P C18P 0.4(2) . . . . ?
C15P C16P C17P C33P 1.7(3) . . . . ?
N4P C16P C17P C33P -177.21(19) . . . . ?
C16P C17P C18P C19P -0.05(19) . . . . ?
C33P C17P C18P C19P 177.4(2) . . . . ?
C16P C17P C18P C35P -176.92(17) . . . . ?
C33P C17P C18P C35P 0.6(3) . . . . ?
C16P N4P C19P C20P 179.0(2) . . . . ?
Ni1P N4P C19P C20P 0.4(3) . . . . ?
C16P N4P C19P C18P 0.6(2) . . . . ?
Ni1P N4P C19P C18P -178.12(12) . . . . ?
C17P C18P C19P N4P -0.3(2) . . . . ?
C35P C18P C19P N4P 176.72(16) . . . . ?
C17P C18P C19P C20P -178.8(2) . . . . ?
C35P C18P C19P C20P -1.8(3) . . . . ?
N1P C1P C20P C19P 1.5(4) . . . . ?
C2P C1P C20P C19P -176.6(2) . . . . ?
N4P C19P C20P C1P -1.6(4) . . . . ?
C18P C19P C20P C1P 176.7(2) . . . . ?
C3P C2P C21P C22P -96.0(4) . . . . ?
C1P C2P C21P C22P 80.3(4) . . . . ?
C2P C3P C23P C24P 93.8(3) . . . . ?
C4P C3P C23P C24P -82.5(3) . . . . ?
C8P C7P C25P C26P -99.0(5) . . . . ?
C6P C7P C25P C26P 76.9(5) . . . . ?
C7P C8P C27P C28P 95.9(5) . . . . ?
C9P C8P C27P C28P -82.1(5) . . . . ?
C13P C12P C29P C30P -85.3(5) . . . . ?
C11P C12P C29P C30P 91.9(5) . . . . ?
C12P C13P C31P C32P 104.6(4) . . . . ?
C14P C13P C31P C32P -70.4(4) . . . . ?
C18P C17P C33P C34P -94.6(3) . . . . ?
C16P C17P C33P C34P 82.4(3) . . . . ?
C17P C18P C35P C36P 96.6(3) . . . . ?
C19P C18P C35P C36P -79.8(3) . . . . ?
C4Q N1Q C1Q C20Q -178.9(2) . . . . ?
Ni1Q N1Q C1Q C20Q -0.7(3) . . . . ?
C4Q N1Q C1Q C2Q -0.5(2) . . . . ?
Ni1Q N1Q C1Q C2Q 177.68(14) . . . . ?
C20Q C1Q C2Q C3Q 179.1(2) . . . . ?
N1Q C1Q C2Q C3Q 0.7(2) . . . . ?
C20Q C1Q C2Q C21Q 2.0(3) . . . . ?
N1Q C1Q C2Q C21Q -176.42(17) . . . . ?
C1Q C2Q C3Q C4Q -0.5(2) . . . . ?
C21Q C2Q C3Q C4Q 176.39(19) . . . . ?
C1Q C2Q C3Q C23Q -177.6(2) . . . . ?
C21Q C2Q C3Q C23Q -0.7(3) . . . . ?
C1Q N1Q C4Q C5Q 179.7(2) . . . . ?
Ni1Q N1Q C4Q C5Q 1.4(3) . . . . ?
C1Q N1Q C4Q C3Q 0.2(2) . . . . ?
Ni1Q N1Q C4Q C3Q -178.05(14) . . . . ?
C2Q C3Q C4Q C5Q -179.2(2) . . . . ?
C23Q C3Q C4Q C5Q -2.0(3) . . . . ?
C2Q C3Q C4Q N1Q 0.2(2) . . . . ?
C23Q C3Q C4Q N1Q 177.5(2) . . . . ?
N1Q C4Q C5Q C6Q -2.4(3) . . . . ?
C3Q C4Q C5Q C6Q 177.0(2) . . . . ?
C4Q C5Q C6Q N2Q 2.0(3) . . . . ?
C4Q C5Q C6Q C7Q -177.1(2) . . . . ?
C9Q N2Q C6Q C5Q -179.1(2) . . . . ?
Ni1Q N2Q C6Q C5Q -0.5(3) . . . . ?
C9Q N2Q C6Q C7Q 0.0(2) . . . . ?
Ni1Q N2Q C6Q C7Q 178.68(15) . . . . ?
C5Q C6Q C7Q C8Q 179.6(2) . . . . ?
N2Q C6Q C7Q C8Q 0.5(2) . . . . ?
C5Q C6Q C7Q C25Q 3.0(3) . . . . ?
N2Q C6Q C7Q C25Q -176.1(2) . . . . ?
C6Q C7Q C8Q C9Q -0.7(2) . . . . ?
C25Q C7Q C8Q C9Q 175.6(2) . . . . ?
C6Q C7Q C8Q C27Q -178.5(2) . . . . ?
C25Q C7Q C8Q C27Q -2.1(4) . . . . ?
C6Q N2Q C9Q C10Q 179.3(3) . . . . ?
Ni1Q N2Q C9Q C10Q 0.7(4) . . . . ?
C6Q N2Q C9Q C8Q -0.5(2) . . . . ?
Ni1Q N2Q C9Q C8Q -179.13(15) . . . . ?
C7Q C8Q C9Q C10Q -179.0(3) . . . . ?
C27Q C8Q C9Q C10Q -1.1(4) . . . . ?
C7Q C8Q C9Q N2Q 0.8(3) . . . . ?
C27Q C8Q C9Q N2Q 178.6(2) . . . . ?
N2Q C9Q C10Q C11Q -2.0(5) . . . . ?
C8Q C9Q C10Q C11Q 177.8(3) . . . . ?
C9Q C10Q C11Q N3Q 2.1(5) . . . . ?
C9Q C10Q C11Q C12Q -177.8(3) . . . . ?
C14Q N3Q C11Q C10Q -179.4(3) . . . . ?
Ni1Q N3Q C11Q C10Q -0.8(4) . . . . ?
C14Q N3Q C11Q C12Q 0.5(3) . . . . ?
Ni1Q N3Q C11Q C12Q 179.09(16) . . . . ?
C10Q C11Q C12Q C13Q -180.0(3) . . . . ?
N3Q C11Q C12Q C13Q 0.1(3) . . . . ?
C10Q C11Q C12Q C29Q -0.7(4) . . . . ?
N3Q C11Q C12Q C29Q 179.4(2) . . . . ?
C11Q C12Q C13Q C14Q -0.7(2) . . . . ?
C29Q C12Q C13Q C14Q -179.9(2) . . . . ?
C11Q C12Q C13Q C31Q -176.5(2) . . . . ?
C29Q C12Q C13Q C31Q 4.3(4) . . . . ?
C11Q N3Q C14Q C15Q 178.8(2) . . . . ?
Ni1Q N3Q C14Q C15Q 0.2(3) . . . . ?
C11Q N3Q C14Q C13Q -0.9(2) . . . . ?
Ni1Q N3Q C14Q C13Q -179.55(15) . . . . ?
C12Q C13Q C14Q C15Q -178.7(2) . . . . ?
C31Q C13Q C14Q C15Q -2.7(3) . . . . ?
C12Q C13Q C14Q N3Q 1.1(2) . . . . ?
C31Q C13Q C14Q N3Q 177.1(2) . . . . ?
N3Q C14Q C15Q C16Q -1.4(3) . . . . ?
C13Q C14Q C15Q C16Q 178.3(2) . . . . ?
C14Q C15Q C16Q N4Q 1.7(3) . . . . ?
C14Q C15Q C16Q C17Q -176.5(2) . . . . ?
C19Q N4Q C16Q C15Q -179.59(19) . . . . ?
Ni1Q N4Q C16Q C15Q -0.9(3) . . . . ?
C19Q N4Q C16Q C17Q -1.2(2) . . . . ?
Ni1Q N4Q C16Q C17Q 177.56(14) . . . . ?
C15Q C16Q C17Q C18Q 179.43(19) . . . . ?
N4Q C16Q C17Q C18Q 1.0(2) . . . . ?
C15Q C16Q C17Q C33Q 2.2(3) . . . . ?
N4Q C16Q C17Q C33Q -176.3(2) . . . . ?
C16Q C17Q C18Q C19Q -0.3(2) . . . . ?
C33Q C17Q C18Q C19Q 176.7(2) . . . . ?
C16Q C17Q C18Q C35Q -176.94(18) . . . . ?
C33Q C17Q C18Q C35Q 0.1(3) . . . . ?
C16Q N4Q C19Q C20Q 179.0(2) . . . . ?
Ni1Q N4Q C19Q C20Q 0.3(3) . . . . ?
C16Q N4Q C19Q C18Q 0.9(2) . . . . ?
Ni1Q N4Q C19Q C18Q -177.75(14) . . . . ?
C17Q C18Q C19Q N4Q -0.4(2) . . . . ?
C35Q C18Q C19Q N4Q 176.43(17) . . . . ?
C17Q C18Q C19Q C20Q -178.5(2) . . . . ?
C35Q C18Q C19Q C20Q -1.7(3) . . . . ?
N1Q C1Q C20Q C19Q 1.9(4) . . . . ?
C2Q C1Q C20Q C19Q -176.3(2) . . . . ?
N4Q C19Q C20Q C1Q -1.7(4) . . . . ?
C18Q C19Q C20Q C1Q 176.1(2) . . . . ?
C3Q C2Q C21Q C22Q -96.9(5) . . . . ?
C1Q C2Q C21Q C22Q 79.5(5) . . . . ?
C2Q C3Q C23Q C24Q 94.4(4) . . . . ?
C4Q C3Q C23Q C24Q -82.2(4) . . . . ?
C8Q C7Q C25Q C26Q -107.5(6) . . . . ?
C6Q C7Q C25Q C26Q 68.3(6) . . . . ?
C7Q C8Q C27Q C28Q 84.1(6) . . . . ?
C9Q C8Q C27Q C28Q -93.3(5) . . . . ?
C13Q C12Q C29Q C30Q -101.9(5) . . . . ?
C11Q C12Q C29Q C30Q 79.0(6) . . . . ?
C12Q C13Q C31Q C32Q 98.7(5) . . . . ?
C14Q C13Q C31Q C32Q -76.4(5) . . . . ?
C18Q C17Q C33Q C34Q -92.3(4) . . . . ?
C16Q C17Q C33Q C34Q 84.3(4) . . . . ?
C17Q C18Q C35Q C36Q 97.7(5) . . . . ?
C19Q C18Q C35Q C36Q -78.4(5) . . . . ?

_refine_diff_density_max         1.014
_refine_diff_density_min         -1.190
_refine_diff_density_rms         0.101



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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 
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data_sc3n@c70_3_180k
_database_code_depnum_ccdc_archive 'CCDC 2362054'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Nanjing Normal University
China
;
_audit_update_record             
;
2024-07-30 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_sc3n@c70_3_180k     
;
PROBLEM: measured_fraction_theta_full value Low
RESPONSE: This is caused by the limited phi scan with synchrotron
radiation X-ray diffraction facility.
;
_vrf_PLAT331_sc3n@c70_3_180k     
;
PROBLEM: small average phenyl C-C bond
RESPONSE: This is caused by the disorder of benzene.
;
_vrf_PLAT084_sc3n@c70_3_180k     
;
PROBLEM: high wR2
RESPONSE: This is caused by the disorder.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C2v(7854)-C70/NiOEP/0.5(C6H6)/C7H8;
_chemical_formula_sum            'C116 H55 N5 Ni Sc3'
_chemical_formula_weight         1712.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0047 0.0023 '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 0.0089 0.0046 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2980 1.4586 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3007 0.4981 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'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                   25.680(5)
_cell_length_b                   16.500(3)
_cell_length_c                   17.350(4)
_cell_angle_alpha                90
_cell_angle_beta                 106.03(3)
_cell_angle_gamma                90
_cell_volume                     7066(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    58708
_cell_measurement_theta_min      2.398
_cell_measurement_theta_max      36.818

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_F_000             3508
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.912
_shelx_estimated_absorpt_T_min   0.914
_shelx_estimated_absorpt_T_max   0.947
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.82656
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58708
_diffrn_reflns_av_unetI/netI     0.0136
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.398
_diffrn_reflns_theta_max         36.818
_diffrn_reflns_theta_full        29.731
_diffrn_measured_fraction_theta_max 0.788
_diffrn_measured_fraction_theta_full 0.913
_diffrn_reflns_Laue_measured_fraction_max 0.788
_diffrn_reflns_Laue_measured_fraction_full 0.913
_diffrn_reflns_point_group_measured_fraction_max 0.788
_diffrn_reflns_point_group_measured_fraction_full 0.913
_reflns_number_total             9170
_reflns_number_gt                7506
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2577P)²+4.0100P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9170
_refine_ls_number_parameters     899
_refine_ls_number_restraints     1320
_refine_ls_R_factor_all          0.1129
_refine_ls_R_factor_gt           0.1046
_refine_ls_wR_factor_ref         0.3555
_refine_ls_wR_factor_gt          0.3351
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.151
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sc1A Sc 0.84554(8) 0.52217(11) 0.44933(8) 0.0934(7) Uani 0.5 1 d . . P . .
Sc2A Sc 0.72316(6) 0.53799(10) 0.35492(8) 0.0756(4) Uani 0.5 1 d . . P . .
Sc3A Sc 0.77845(8) 0.47202(12) 0.22363(8) 0.0961(7) Uani 0.5 1 d . . P . .
N1A N 0.79345(12) 0.500000 0.34077(16) 0.0462(6) Uani 1 2 d S T P . .
C1A C 0.9033(3) 0.500000 0.5798(4) 0.132(3) Uani 1 2 d DS TU P . .
C2A C 0.8496(4) 0.500000 0.5860(4) 0.145(3) Uani 1 2 d DS TU P . .
C3A C 0.8269(4) 0.5801(6) 0.5679(9) 0.144(5) Uani 0.5 1 d D U P . .
C4A C 0.8659(4) 0.6283(6) 0.5464(6) 0.139(5) Uani 0.5 1 d D U P . .
C5A C 0.9127(4) 0.5808(6) 0.5537(5) 0.144(5) Uani 0.5 1 d D U P . .
C6A C 0.9332(4) 0.5725(5) 0.4869(5) 0.121(4) Uani 0.5 1 d D U P . .
C7A C 0.9415(4) 0.4889(6) 0.4751(5) 0.136(4) Uani 0.5 1 d D U P . .
C8A C 0.9176(4) 0.4461(6) 0.5260(6) 0.146(5) Uani 0.5 1 d D U P . .
C9A C 0.8865(5) 0.3750(6) 0.5014(6) 0.134(4) Uani 0.5 1 d D U P . .
C10A C 0.8908(7) 0.3370(9) 0.4263(8) 0.158(6) Uani 0.5 1 d D U P . .
C11A C 0.9149(4) 0.3792(6) 0.3754(5) 0.126(5) Uani 0.5 1 d D U P . .
C12A C 0.9382(3) 0.4583(5) 0.3969(5) 0.112(3) Uani 0.5 1 d D U P . .
C13A C 0.9336(4) 0.5184(5) 0.3309(6) 0.140(4) Uani 0.5 1 d D U P . .
C14A C 0.9086(4) 0.500000 0.2541(5) 0.155(4) Uani 1 2 d DS TU P . .
C15A C 0.8829(5) 0.4141(8) 0.2331(7) 0.158(5) Uani 0.5 1 d D U P . .
C16A C 0.8880(5) 0.3592(8) 0.2979(7) 0.142(5) Uani 0.5 1 d D U P . .
C17A C 0.8448(6) 0.3078(10) 0.3006(7) 0.159(6) Uani 0.5 1 d D U P . .
C18A C 0.7965(5) 0.3081(10) 0.2379(8) 0.168(6) Uani 0.5 1 d D U P . .
C19A C 0.7965(4) 0.3501(8) 0.1640(8) 0.157(6) Uani 0.5 1 d D U P . .
C20A C 0.8387(5) 0.4068(6) 0.1647(7) 0.154(5) Uani 0.5 1 d D U P . .
C21A C 0.8134(4) 0.4770(7) 0.1192(6) 0.155(5) Uani 0.5 1 d D U P . .
C22A C 0.7580(4) 0.4592(6) 0.0859(5) 0.140(4) Uani 0.5 1 d D U P . .
C23A C 0.7473(4) 0.3810(7) 0.1139(6) 0.153(5) Uani 0.5 1 d D U P . .
C24A C 0.7009(4) 0.3860(6) 0.1431(6) 0.146(5) Uani 0.5 1 d D U P . .
C25A C 0.6813(4) 0.4668(5) 0.1359(5) 0.149(5) Uani 0.5 1 d D U P . .
C26A C 0.7165(3) 0.5137(7) 0.1009(5) 0.142(4) Uani 0.5 1 d D U P . .
C27A C 0.7308(4) 0.5919(7) 0.1278(7) 0.149(5) Uani 0.5 1 d D U P . .
C28A C 0.7044(5) 0.6310(7) 0.1817(7) 0.169(6) Uani 0.5 1 d D U P . .
C29A C 0.6656(4) 0.5920(6) 0.2082(5) 0.131(4) Uani 0.5 1 d D U P . .
C30A C 0.6570(3) 0.500000 0.1939(4) 0.115(3) Uani 1 2 d DS TU P . .
C31A C 0.6473(4) 0.4503(5) 0.2542(6) 0.147(5) Uani 0.5 1 d D U P . .
C32A C 0.6381(4) 0.4866(6) 0.3271(6) 0.143(4) Uani 0.5 1 d D U P . .
C33A C 0.6391(5) 0.5711(5) 0.3347(6) 0.125(4) Uani 0.5 1 d D U P . .
C34A C 0.6555(5) 0.6239(7) 0.2845(7) 0.137(5) Uani 0.5 1 d D U P . .
C35A C 0.6928(6) 0.6771(9) 0.3337(6) 0.155(6) Uani 0.5 1 d D U P . .
C36A C 0.7007(5) 0.6557(7) 0.4133(6) 0.153(6) Uani 0.5 1 d D U P . .
C37A C 0.6642(4) 0.5915(6) 0.4138(6) 0.138(5) Uani 0.5 1 d D U P . .
C38A C 0.6819(4) 0.5206(6) 0.4558(6) 0.141(5) Uani 0.5 1 d D U P . .
C39A C 0.7368(4) 0.5174(6) 0.5149(5) 0.132(5) Uani 0.5 1 d D U P . .
C40A C 0.7699(4) 0.5886(7) 0.5255(8) 0.154(5) Uani 0.5 1 d D U P . .
C41A C 0.7538(5) 0.6563(8) 0.4690(8) 0.161(6) Uani 0.5 1 d D U P . .
C42A C 0.7946(5) 0.7008(8) 0.4460(7) 0.141(5) Uani 0.5 1 d D U P . .
C43A C 0.8489(4) 0.6815(6) 0.4780(7) 0.145(5) Uani 0.5 1 d D U P . .
C44A C 0.8753(5) 0.6844(8) 0.4199(6) 0.159(6) Uani 0.5 1 d D U P . .
C45A C 0.8375(6) 0.7097(10) 0.3469(9) 0.148(5) Uani 0.5 1 d D U P . .
C46A C 0.7873(5) 0.7223(10) 0.3640(9) 0.163(6) Uani 0.5 1 d D U P . .
C47A C 0.7383(7) 0.7075(12) 0.3080(8) 0.162(6) Uani 0.5 1 d D U P . .
C48A C 0.7422(5) 0.6889(8) 0.2293(9) 0.159(6) Uani 0.5 1 d D U P . .
C49A C 0.7947(5) 0.6786(8) 0.2118(9) 0.166(6) Uani 0.5 1 d D U P . .
C50A C 0.8432(7) 0.6841(9) 0.2714(8) 0.153(6) Uani 0.5 1 d D U P . .
C51A C 0.8882(6) 0.6254(8) 0.2720(6) 0.136(5) Uani 0.5 1 d D U P . .
C52A C 0.8806(6) 0.5654(7) 0.2175(8) 0.160(5) Uani 0.5 1 d D U P . .
C53A C 0.8293(4) 0.5591(7) 0.1510(7) 0.154(5) Uani 0.5 1 d D U P . .
C54A C 0.7873(5) 0.6173(7) 0.1494(7) 0.160(6) Uani 0.5 1 d D U P . .
C55A C 0.9224(5) 0.5979(6) 0.3419(6) 0.136(5) Uani 0.5 1 d D U P . .
C56A C 0.9172(6) 0.6261(8) 0.4206(7) 0.157(6) Uani 0.5 1 d D U P . .
C57A C 0.8184(4) 0.4335(7) 0.5637(7) 0.149(5) Uani 0.5 1 d D U P . .
C58A C 0.8361(5) 0.3670(6) 0.5236(7) 0.144(5) Uani 0.5 1 d D U P . .
C59A C 0.7893(6) 0.3285(7) 0.4751(8) 0.142(5) Uani 0.5 1 d D U P . .
C60A C 0.7414(5) 0.3729(6) 0.4808(7) 0.135(5) Uani 0.5 1 d D U P . .
C61A C 0.7602(4) 0.4406(7) 0.5335(8) 0.143(5) Uani 0.5 1 d D U P . .
C62A C 0.6631(5) 0.4562(6) 0.4053(6) 0.127(4) Uani 0.5 1 d D U P . .
C63A C 0.6960(6) 0.3801(7) 0.4151(7) 0.141(5) Uani 0.5 1 d D U P . .
C64A C 0.6975(7) 0.3359(9) 0.3446(8) 0.145(5) Uani 0.5 1 d D U P . .
C65A C 0.6713(5) 0.3665(7) 0.2652(6) 0.155(6) Uani 0.5 1 d D U P . .
C66A C 0.7001(4) 0.3402(7) 0.2137(7) 0.147(5) Uani 0.5 1 d D U P . .
C67A C 0.7465(5) 0.2978(9) 0.2566(7) 0.138(5) Uani 0.5 1 d D U P . .
C68A C 0.7456(5) 0.2944(8) 0.3397(8) 0.141(5) Uani 0.5 1 d D U P . .
C69A C 0.7913(8) 0.2922(10) 0.3990(9) 0.147(6) Uani 0.5 1 d D U P . .
C70A C 0.8453(6) 0.3002(9) 0.3801(7) 0.160(6) Uani 0.5 1 d D U P . .
Ni1P Ni 0.54965(2) 0.500000 0.08828(3) 0.0649(3) Uani 1 2 d S T P . .
N1P N 0.57212(12) 0.5833(2) 0.02434(15) 0.0699(7) Uani 1 1 d . . . . .
N2P N 0.52966(12) 0.5832(2) 0.15468(15) 0.0721(8) Uani 1 1 d . . . . .
C1P C 0.6047(2) 0.500000 -0.0686(3) 0.0754(13) Uani 1 2 d S T P . .
H1P H 0.619338 0.500001 -0.113297 0.090 Uiso 1 2 calc R U P . .
C2P C 0.59485(14) 0.5728(3) -0.03843(18) 0.0741(9) Uani 1 1 d . . . . .
C3P C 0.60831(15) 0.6500(3) -0.0681(2) 0.0795(10) Uani 1 1 d . . . . .
C4P C 0.59365(16) 0.7079(3) -0.0234(2) 0.0814(10) Uani 1 1 d . . . . .
C5P C 0.57121(15) 0.6666(3) 0.03374(19) 0.0722(9) Uani 1 1 d . . . . .
C6P C 0.55241(15) 0.7047(3) 0.09057(19) 0.0801(11) Uani 1 1 d . . . . .
H6P H 0.552056 0.762285 0.090237 0.096 Uiso 1 1 calc R U . . .
C7P C 0.53419(15) 0.6667(3) 0.14753(19) 0.0755(9) Uani 1 1 d . . . . .
C8P C 0.51672(18) 0.7089(3) 0.2097(2) 0.0860(12) Uani 1 1 d . . . . .
C9P C 0.5023(2) 0.6517(4) 0.2540(2) 0.0910(13) Uani 1 1 d . . . . .
C10P C 0.50965(16) 0.5736(3) 0.2209(2) 0.0812(11) Uani 1 1 d . . . . .
C11P C 0.5001(2) 0.500000 0.2499(3) 0.0857(16) Uani 1 2 d S T P . .
H11P H 0.485482 0.500000 0.294507 0.103 Uiso 1 2 calc R U P . .
C12P C 0.63529(19) 0.6582(3) -0.1348(2) 0.0879(12) Uani 1 1 d . . . . .
H12A H 0.627304 0.712446 -0.159684 0.105 Uiso 1 1 calc R U . . .
H12B H 0.620420 0.617021 -0.176521 0.105 Uiso 1 1 calc R U . . .
C13P C 0.6965(2) 0.6473(3) -0.1031(3) 0.0939(13) Uani 1 1 d . . . . .
H13A H 0.713223 0.655696 -0.146848 0.141 Uiso 1 1 calc R U . . .
H13B H 0.704462 0.592304 -0.081739 0.141 Uiso 1 1 calc R U . . .
H13C H 0.711024 0.686787 -0.060432 0.141 Uiso 1 1 calc R U . . .
C14P C 0.6014(2) 0.7970(3) -0.0257(3) 0.0965(13) Uani 1 1 d . . . . .
H14A H 0.569891 0.824330 -0.014612 0.116 Uiso 1 1 calc R U . . .
H14B H 0.602372 0.812697 -0.080323 0.116 Uiso 1 1 calc R U . . .
C15P C 0.6521(3) 0.8259(4) 0.0334(4) 0.1145(17) Uani 1 1 d . . . . .
H15A H 0.682728 0.792599 0.028947 0.172 Uiso 1 1 calc R U . . .
H15B H 0.648099 0.821415 0.087802 0.172 Uiso 1 1 calc R U . . .
H15C H 0.658650 0.882598 0.022136 0.172 Uiso 1 1 calc R U . . .
C16P C 0.5182(3) 0.7982(4) 0.2207(3) 0.1101(18) Uani 1 1 d . . . . .
H16A H 0.495132 0.812929 0.255756 0.132 Uiso 1 1 calc R U . . .
H16B H 0.502703 0.824310 0.167957 0.132 Uiso 1 1 calc R U . . .
C17P C 0.5751(4) 0.8313(5) 0.2573(5) 0.141(3) Uani 1 1 d . . . . .
H17A H 0.595876 0.827948 0.217736 0.212 Uiso 1 1 calc R U . . .
H17B H 0.593160 0.799175 0.304627 0.212 Uiso 1 1 calc R U . . .
H17C H 0.572804 0.887922 0.272940 0.212 Uiso 1 1 calc R U . . .
C18P C 0.4835(3) 0.6635(4) 0.3293(3) 0.1148(19) Uani 1 1 d . . . . .
H18A H 0.465904 0.717188 0.327164 0.138 Uiso 1 1 calc R U . . .
H18B H 0.456406 0.621506 0.331292 0.138 Uiso 1 1 calc R U . . .
C19P C 0.5307(4) 0.6582(8) 0.4042(3) 0.191(5) Uani 1 1 d . . . . .
H19A H 0.561066 0.690468 0.396924 0.286 Uiso 1 1 calc R U . . .
H19B H 0.542048 0.601531 0.414094 0.286 Uiso 1 1 calc R U . . .
H19C H 0.519648 0.679151 0.450143 0.286 Uiso 1 1 calc R U . . .
C1S C 0.7211(6) 0.500000 0.7098(6) 0.139(4) Uani 1 2 d S T P . .
C2S C 0.6987(5) 0.5711(3) 0.6863(5) 0.140(3) Uani 1 1 d . . . . .
H2S H 0.716701 0.620186 0.706406 0.168 Uiso 1 1 calc R U . . .
C3S C 0.6464(5) 0.5714(3) 0.6297(7) 0.151(4) Uani 1 1 d . . . . .
H3S H 0.629412 0.621610 0.610899 0.181 Uiso 1 1 calc R U . . .
C4S C 0.6202(6) 0.500000 0.6021(8) 0.136(4) Uani 1 2 d S T P . .
H4S H 0.585219 0.500001 0.565094 0.163 Uiso 1 2 calc R U P . .
C5S C 0.7825(9) 0.500000 0.7691(9) 0.189(6) Uani 1 2 d S T P . .
H5S1 H 0.794515 0.444019 0.782073 0.283 Uiso 0.5 1 calc R U P . .
H5S2 H 0.806839 0.526815 0.742382 0.283 Uiso 0.5 1 calc R U P . .
H5S3 H 0.783185 0.529165 0.818567 0.283 Uiso 0.5 1 calc R U P . .
C6S C 0.4949(13) 0.000000 0.9152(14) 0.179(8) Uani 1 2 d S T P . .
H6S H 0.491332 0.000000 0.859231 0.215 Uiso 1 2 calc R U P . .
C7S C 0.5400(14) 0.000000 0.970(2) 0.185(10) Uani 1 2 d S T P . .
H7S H 0.571134 0.000000 0.950214 0.222 Uiso 1 2 calc R U P . .
C8S C 0.5508(10) 0.000000 1.049(3) 0.241(13) Uani 1 2 d S T P . .
H8S H 0.587180 0.000000 1.081576 0.289 Uiso 1 2 calc R U P . .


_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 Sc1A 0.731(3) 6_565 ?
Sc1A N1A 2.020(3) . ?
Sc1A C8A 2.027(11) 6_565 ?
Sc1A C9A 2.068(9) 6_565 ?
Sc1A C58A 2.289(10) 6_565 ?
Sc1A C6A 2.317(10) . ?
Sc1A C8A 2.326(11) . ?
Sc1A C5A 2.338(9) . ?
Sc1A C1A 2.367(6) . ?
Sc1A C2A 2.373(7) . ?
Sc1A C4A 2.385(11) . ?
Sc1A C7A 2.388(10) 6_565 ?
Sc2A Sc2A 1.254(3) 6_565 ?
Sc2A C63A 1.951(14) 6_565 ?
Sc2A C62A 1.975(12) 6_565 ?
Sc2A N1A 1.989(3) . ?
Sc2A C32A 2.143(11) 6_565 ?
Sc2A C33A 2.159(11) . ?
Sc2A C64A 2.175(16) 6_565 ?
Sc2A C37A 2.229(12) . ?
Sc2A C31A 2.237(9) 6_565 ?
Sc2A C32A 2.269(11) . ?
Sc2A C38A 2.301(9) . ?
Sc2A C34A 2.313(14) . ?
Sc3A Sc3A 0.923(4) 6_565 ?
Sc3A C54A 2.010(12) 6_565 ?
Sc3A N1A 2.015(3) . ?
Sc3A C27A 2.062(11) 6_565 ?
Sc3A C53A 2.114(13) 6_565 ?
Sc3A C21A 2.234(10) . ?
Sc3A C26A 2.291(8) 6_565 ?
Sc3A C22A 2.310(8) . ?
Sc3A C20A 2.338(13) . ?
Sc3A C19A 2.366(14) . ?
Sc3A C26A 2.380(8) . ?
Sc3A C23A 2.383(11) . ?
C1A C8A 1.408(10) . ?
C1A C8A 1.408(10) 6_565 ?
C1A C2A 1.415(10) . ?
C1A C5A 1.450(10) . ?
C1A C5A 1.450(10) 6_565 ?
C2A C57A 1.350(12) . ?
C2A C57A 1.350(12) 6_565 ?
C2A C3A 1.443(10) 6_565 ?
C2A C3A 1.443(10) . ?
C3A C57A 0.308(15) 6_565 ?
C3A C58A 1.228(15) 6_565 ?
C3A C4A 1.407(12) . ?
C3A C40A 1.453(15) . ?
C3A C61A 1.685(14) 6_565 ?
C4A C58A 0.762(13) 6_565 ?
C4A C9A 1.058(14) 6_565 ?
C4A C5A 1.411(11) . ?
C4A C43A 1.443(15) . ?
C4A C57A 1.679(14) 6_565 ?
C4A C8A 1.912(13) 6_565 ?
C5A C8A 0.690(11) 6_565 ?
C5A C9A 1.212(14) 6_565 ?
C5A C6A 1.405(11) . ?
C6A C8A 0.930(11) 6_565 ?
C6A C7A 1.067(14) 6_565 ?
C6A C56A 1.419(15) . ?
C6A C7A 1.420(11) . ?
C6A C9A 1.555(15) 6_565 ?
C6A C12A 1.681(12) 6_565 ?
C6A C10A 1.973(15) 6_565 ?
C6A C11A 2.024(13) 6_565 ?
C7A C7A 0.366(18) 6_565 ?
C7A C8A 1.400(11) . ?
C7A C12A 1.427(12) . ?
C7A C12A 1.594(12) 6_565 ?
C7A C8A 1.616(14) 6_565 ?
C8A C9A 1.417(15) . ?
C8A C8A 1.78(2) 6_565 ?
C9A C43A 1.322(15) 6_565 ?
C9A C58A 1.454(17) . ?
C9A C10A 1.477(18) . ?
C9A C44A 1.680(15) 6_565 ?
C9A C56A 1.789(15) 6_565 ?
C10A C44A 0.520(17) 6_565 ?
C10A C56A 0.939(16) 6_565 ?
C10A C70A 1.363(14) . ?
C10A C11A 1.398(14) . ?
C10A C43A 1.607(19) 6_565 ?
C10A C45A 1.823(17) 6_565 ?
C11A C55A 0.761(15) 6_565 ?
C11A C56A 0.775(13) 6_565 ?
C11A C16A 1.372(13) . ?
C11A C12A 1.441(14) . ?
C11A C51A 1.736(13) 6_565 ?
C11A C44A 1.779(16) 6_565 ?
C11A C13A 1.972(14) 6_565 ?
C12A C13A 1.183(12) 6_565 ?
C12A C55A 1.311(12) 6_565 ?
C12A C12A 1.377(18) 6_565 ?
C12A C13A 1.495(13) . ?
C12A C56A 1.587(15) 6_565 ?
C13A C13A 0.607(18) 6_565 ?
C13A C14A 1.345(10) . ?
C13A C55A 1.368(12) . ?
C13A C55A 1.958(15) 6_565 ?
C14A C52A 1.354(11) . ?
C14A C52A 1.354(11) 6_565 ?
C14A C15A 1.563(13) 6_565 ?
C14A C15A 1.563(13) . ?
C15A C52A 0.426(15) 6_565 ?
C15A C51A 0.921(15) 6_565 ?
C15A C20A 1.403(15) . ?
C15A C16A 1.421(16) . ?
C15A C53A 1.743(14) 6_565 ?
C15A C55A 1.890(14) 6_565 ?
C16A C51A 0.517(16) 6_565 ?
C16A C55A 1.222(14) 6_565 ?
C16A C50A 1.324(17) 6_565 ?
C16A C17A 1.409(14) . ?
C16A C52A 1.838(15) 6_565 ?
C17A C50A 0.515(18) 6_565 ?
C17A C45A 0.919(18) 6_565 ?
C17A C70A 1.381(14) . ?
C17A C18A 1.406(17) . ?
C17A C49A 1.729(18) 6_565 ?
C17A C51A 1.736(18) 6_565 ?
C17A C44A 2.004(15) 6_565 ?
C18A C49A 0.495(19) 6_565 ?
C18A C50A 1.187(18) 6_565 ?
C18A C48A 1.360(17) 6_565 ?
C18A C67A 1.418(17) . ?
C18A C19A 1.459(16) . ?
C18A C45A 1.916(19) 6_565 ?
C18A C54A 1.931(17) 6_565 ?
C19A C54A 0.613(16) 6_565 ?
C19A C49A 0.967(19) 6_565 ?
C19A C23A 1.416(11) . ?
C19A C20A 1.428(12) . ?
C19A C53A 1.764(17) 6_565 ?
C19A C27A 1.891(15) 6_565 ?
C19A C50A 1.999(17) 6_565 ?
C20A C53A 0.633(16) 6_565 ?
C20A C52A 1.290(15) 6_565 ?
C20A C54A 1.333(16) 6_565 ?
C20A C21A 1.451(12) . ?
C20A C51A 2.014(14) 6_565 ?
C21A C21A 0.76(2) 6_565 ?
C21A C53A 0.837(14) 6_565 ?
C21A C22A 1.412(10) . ?
C21A C53A 1.477(15) . ?
C21A C22A 1.736(13) 6_565 ?
C21A C54A 1.828(18) 6_565 ?
C22A C26A 1.246(11) 6_565 ?
C22A C22A 1.34(2) 6_565 ?
C22A C27A 1.417(14) 6_565 ?
C22A C23A 1.432(11) . ?
C22A C26A 1.470(10) . ?
C22A C54A 1.708(15) 6_565 ?
C22A C53A 1.893(12) 6_565 ?
C23A C27A 0.704(13) 6_565 ?
C23A C54A 1.041(14) 6_565 ?
C23A C24A 1.419(11) . ?
C23A C28A 1.831(15) 6_565 ?
C23A C26A 1.897(16) 6_565 ?
C24A C28A 0.709(14) 6_565 ?
C24A C27A 0.950(14) 6_565 ?
C24A C25A 1.419(11) . ?
C24A C66A 1.444(15) . ?
C24A C29A 1.674(13) 6_565 ?
C24A C26A 1.897(16) 6_565 ?
C24A C48A 2.003(17) 6_565 ?
C25A C25A 1.095(16) 6_565 ?
C25A C26A 1.261(11) 6_565 ?
C25A C30A 1.432(13) . ?
C25A C26A 1.444(11) . ?
C25A C27A 1.634(13) 6_565 ?
C25A C29A 1.720(13) 6_565 ?
C25A C28A 1.825(14) 6_565 ?
C26A C26A 0.45(2) 6_565 ?
C26A C27A 1.387(15) . ?
C26A C27A 1.815(17) 6_565 ?
C27A C28A 1.449(13) . ?
C27A C54A 1.456(13) . ?
C28A C66A 0.762(16) 6_565 ?
C28A C29A 1.370(16) . ?
C28A C48A 1.447(14) . ?
C28A C67A 1.861(15) 6_565 ?
C28A C65A 1.872(16) 6_565 ?
C29A C65A 1.178(14) 6_565 ?
C29A C31A 1.246(12) 6_565 ?
C29A C66A 1.415(14) 6_565 ?
C29A C34A 1.512(15) . ?
C29A C30A 1.544(10) . ?
C30A C31A 1.404(12) . ?
C30A C31A 1.404(12) 6_565 ?
C31A C34A 1.326(14) 6_565 ?
C31A C32A 1.476(14) . ?
C31A C65A 1.505(15) . ?
C31A C33A 1.510(12) 6_565 ?
C31A C31A 1.639(18) 6_565 ?
C31A C32A 1.705(14) 6_565 ?
C32A C32A 0.443(19) 6_565 ?
C32A C33A 0.959(15) 6_565 ?
C32A C33A 1.400(11) . ?
C32A C62A 1.422(11) . ?
C32A C62A 1.631(14) 6_565 ?
C32A C37A 1.952(13) 6_565 ?
C33A C62A 1.291(12) 6_565 ?
C33A C34A 1.377(11) . ?
C33A C37A 1.387(12) . ?
C33A C63A 1.899(16) 6_565 ?
C33A C65A 1.936(15) 6_565 ?
C34A C65A 0.615(16) 6_565 ?
C34A C35A 1.403(12) . ?
C34A C64A 1.441(17) 6_565 ?
C34A C66A 1.988(15) 6_565 ?
C35A C64A 0.29(3) 6_565 ?
C35A C65A 1.368(15) 6_565 ?
C35A C36A 1.385(12) . ?
C35A C68A 1.411(19) 6_565 ?
C35A C47A 1.450(18) . ?
C35A C63A 1.682(18) 6_565 ?
C36A C63A 0.606(17) 6_565 ?
C36A C64A 1.179(18) 6_565 ?
C36A C37A 1.417(12) . ?
C36A C60A 1.417(16) 6_565 ?
C36A C41A 1.436(16) . ?
C37A C62A 0.800(15) 6_565 ?
C37A C63A 0.937(19) 6_565 ?
C37A C38A 1.386(11) . ?
C37A C38A 1.994(16) 6_565 ?
C38A C38A 0.681(19) 6_565 ?
C38A C62A 0.955(12) 6_565 ?
C38A C62A 1.377(11) . ?
C38A C39A 1.498(13) . ?
C38A C39A 1.623(14) 6_565 ?
C38A C63A 1.858(17) 6_565 ?
C39A C39A 0.57(2) 6_565 ?
C39A C61A 0.917(15) 6_565 ?
C39A C61A 1.402(17) . ?
C39A C40A 1.432(16) . ?
C39A C60A 1.918(17) 6_565 ?
C39A C40A 1.931(16) 6_565 ?
C40A C61A 0.575(19) 6_565 ?
C40A C60A 1.108(15) 6_565 ?
C40A C57A 1.291(13) 6_565 ?
C40A C41A 1.469(16) . ?
C40A C59A 1.767(18) 6_565 ?
C40A C58A 1.860(16) 6_565 ?
C41A C60A 0.642(17) 6_565 ?
C41A C59A 0.923(18) 6_565 ?
C41A C42A 1.425(17) . ?
C41A C63A 1.634(17) 6_565 ?
C41A C61A 1.932(17) 6_565 ?
C41A C69A 1.94(2) 6_565 ?
C42A C59A 0.739(18) 6_565 ?
C42A C69A 0.804(18) 6_565 ?
C42A C43A 1.388(13) . ?
C42A C46A 1.427(13) . ?
C42A C58A 1.847(15) 6_565 ?
C42A C68A 1.926(18) 6_565 ?
C42A C70A 1.95(2) 6_565 ?
C43A C58A 1.232(15) 6_565 ?
C43A C44A 1.362(13) . ?
C43A C59A 1.527(17) 6_565 ?
C43A C70A 1.702(17) 6_565 ?
C43A C69A 1.77(2) 6_565 ?
C44A C70A 0.917(17) 6_565 ?
C44A C45A 1.428(13) . ?
C44A C56A 1.442(16) . ?
C45A C70A 0.579(18) 6_565 ?
C45A C46A 1.416(14) . ?
C45A C50A 1.421(19) . ?
C45A C69A 1.68(2) 6_565 ?
C46A C69A 0.634(19) 6_565 ?
C46A C68A 1.073(19) 6_565 ?
C46A C47A 1.383(19) . ?
C46A C70A 1.48(2) 6_565 ?
C46A C67A 1.898(19) 6_565 ?
C47A C68A 0.531(19) 6_565 ?
C47A C67A 0.974(19) 6_565 ?
C47A C48A 1.43(2) . ?
C47A C64A 1.54(2) 6_565 ?
C47A C69A 1.78(2) 6_565 ?
C47A C66A 1.836(17) 6_565 ?
C48A C67A 0.507(19) 6_565 ?
C48A C66A 1.146(16) 6_565 ?
C48A C49A 1.470(14) . ?
C48A C68A 1.91(2) 6_565 ?
C49A C50A 1.385(19) . ?
C49A C54A 1.454(14) . ?
C49A C67A 1.679(19) 6_565 ?
C50A C51A 1.506(17) . ?
C50A C70A 1.889(19) 6_565 ?
C51A C52A 1.345(13) . ?
C51A C55A 1.364(12) . ?
C52A C53A 1.496(16) . ?
C53A C54A 1.440(16) . ?
C53A C53A 1.95(2) 6_565 ?
C55A C56A 1.482(16) . ?
C57A C58A 1.438(13) . ?
C57A C61A 1.445(13) . ?
C58A C59A 1.414(14) . ?
C59A C60A 1.459(14) . ?
C59A C69A 1.46(2) . ?
C60A C63A 1.392(17) . ?
C60A C61A 1.440(13) . ?
C61A C61A 1.96(2) 6_565 ?
C62A C62A 1.44(2) 6_565 ?
C62A C63A 1.498(17) . ?
C63A C64A 1.434(18) . ?
C64A C68A 1.434(14) . ?
C64A C65A 1.448(13) . ?
C65A C66A 1.378(13) . ?
C66A C67A 1.406(13) . ?
C67A C68A 1.448(13) . ?
C68A C69A 1.33(2) . ?
C69A C70A 1.52(2) . ?
Ni1P N2P 1.950(3) 6_565 ?
Ni1P N2P 1.950(3) . ?
Ni1P N1P 1.951(3) 6_565 ?
Ni1P N1P 1.951(3) . ?
N1P C2P 1.381(4) . ?
N1P C5P 1.384(6) . ?
N2P C10P 1.390(4) . ?
N2P C7P 1.392(6) . ?
C1P C2P 1.362(5) . ?
C1P C2P 1.362(5) 6_565 ?
C1P H1P 0.9500 . ?
C2P C3P 1.451(6) . ?
C3P C4P 1.348(7) . ?
C3P C12P 1.510(5) . ?
C4P C5P 1.448(5) . ?
C4P C14P 1.485(8) . ?
C5P C6P 1.365(5) . ?
C6P C7P 1.358(6) . ?
C6P H6P 0.9500 . ?
C7P C8P 1.455(5) . ?
C8P C9P 1.332(8) . ?
C8P C16P 1.485(8) . ?
C9P C10P 1.444(7) . ?
C9P C18P 1.525(6) . ?
C10P C11P 1.362(6) . ?
C11P H11P 0.9500 . ?
C12P C13P 1.525(7) . ?
C12P H12A 0.9900 . ?
C12P H12B 0.9900 . ?
C13P H13A 0.9800 . ?
C13P H13B 0.9800 . ?
C13P H13C 0.9800 . ?
C14P C15P 1.496(9) . ?
C14P H14A 0.9900 . ?
C14P H14B 0.9900 . ?
C15P H15A 0.9800 . ?
C15P H15B 0.9800 . ?
C15P H15C 0.9800 . ?
C16P C17P 1.524(11) . ?
C16P H16A 0.9900 . ?
C16P H16B 0.9900 . ?
C17P H17A 0.9800 . ?
C17P H17B 0.9800 . ?
C17P H17C 0.9800 . ?
C18P C19P 1.517(11) . ?
C18P H18A 0.9900 . ?
C18P H18B 0.9900 . ?
C19P H19A 0.9800 . ?
C19P H19B 0.9800 . ?
C19P H19C 0.9800 . ?
C1S C2S 1.320(11) . ?
C1S C2S 1.320(11) 6_565 ?
C1S C5S 1.63(2) . ?
C2S C3S 1.430(14) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.375(13) . ?
C3S H3S 0.9500 . ?
C4S H4S 0.9500 . ?
C5S H5S1 0.9800 . ?
C5S H5S2 0.9800 . ?
C5S H5S3 0.9800 . ?
C5S H5S1 0.9800 6_565 ?
C5S H5S2 0.9801 6_565 ?
C5S H5S3 0.9800 6_565 ?
C6S C7S 1.28(3) . ?
C6S C8S 1.48(4) 5_657 ?
C6S H6S 0.9500 . ?
C7S C8S 1.32(4) . ?
C7S H7S 0.9500 . ?
C8S H8S 0.9500 . ?

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
Sc1A Sc1A N1A 79.56(5) 6_565 . ?
Sc1A Sc1A C8A 105.0(3) 6_565 6_565 ?
N1A Sc1A C8A 155.3(3) . 6_565 ?
Sc1A Sc1A C9A 145.1(3) 6_565 6_565 ?
N1A Sc1A C9A 133.0(3) . 6_565 ?
C8A Sc1A C9A 40.5(4) 6_565 6_565 ?
Sc1A Sc1A C58A 143.0(3) 6_565 6_565 ?
N1A Sc1A C58A 121.6(3) . 6_565 ?
C8A Sc1A C58A 69.1(4) 6_565 6_565 ?
C9A Sc1A C58A 38.6(4) 6_565 6_565 ?
Sc1A Sc1A C6A 111.0(2) 6_565 . ?
N1A Sc1A C6A 132.0(3) . . ?
C8A Sc1A C6A 23.5(3) 6_565 . ?
C9A Sc1A C6A 41.0(4) 6_565 . ?
C58A Sc1A C6A 78.5(4) 6_565 . ?
Sc1A Sc1A C8A 57.4(3) 6_565 . ?
N1A Sc1A C8A 130.8(3) . . ?
C8A Sc1A C8A 47.6(5) 6_565 . ?
C9A Sc1A C8A 88.0(4) 6_565 . ?
C58A Sc1A C8A 107.5(4) 6_565 . ?
C6A Sc1A C8A 58.3(3) . . ?
Sc1A Sc1A C5A 114.5(2) 6_565 . ?
N1A Sc1A C5A 162.6(3) . . ?
C8A Sc1A C5A 16.3(3) 6_565 . ?
C9A Sc1A C5A 31.2(4) 6_565 . ?
C58A Sc1A C5A 53.4(4) 6_565 . ?
C6A Sc1A C5A 35.1(3) . . ?
C8A Sc1A C5A 58.7(3) . . ?
Sc1A Sc1A C1A 81.12(5) 6_565 . ?
N1A Sc1A C1A 160.49(10) . . ?
C8A Sc1A C1A 36.3(3) 6_565 . ?
C9A Sc1A C1A 66.4(3) 6_565 . ?
C58A Sc1A C1A 73.8(3) 6_565 . ?
C6A Sc1A C1A 58.8(3) . . ?
C8A Sc1A C1A 34.9(2) . . ?
C5A Sc1A C1A 35.9(2) . . ?
Sc1A Sc1A C2A 81.14(5) 6_565 . ?
N1A Sc1A C2A 137.6(2) . . ?
C8A Sc1A C2A 66.7(3) 6_565 . ?
C9A Sc1A C2A 79.2(3) 6_565 . ?
C58A Sc1A C2A 62.8(3) 6_565 . ?
C6A Sc1A C2A 90.2(3) . . ?
C8A Sc1A C2A 62.4(3) . . ?
C5A Sc1A C2A 58.0(3) . . ?
C1A Sc1A C2A 34.7(2) . . ?
Sc1A Sc1A C4A 137.2(3) 6_565 . ?
N1A Sc1A C4A 138.7(3) . . ?
C8A Sc1A C4A 50.6(3) 6_565 . ?
C9A Sc1A C4A 26.3(4) 6_565 . ?
C58A Sc1A C4A 18.6(3) 6_565 . ?
C6A Sc1A C4A 62.1(3) . . ?
C8A Sc1A C4A 90.4(3) . . ?
C5A Sc1A C4A 34.8(3) . . ?
C1A Sc1A C4A 58.7(2) . . ?
C2A Sc1A C4A 57.8(3) . . ?
Sc1A Sc1A C7A 85.6(2) 6_565 6_565 ?
N1A Sc1A C7A 123.0(2) . 6_565 ?
C8A Sc1A C7A 35.8(3) 6_565 6_565 ?
C9A Sc1A C7A 66.9(4) 6_565 6_565 ?
C58A Sc1A C7A 102.7(3) 6_565 6_565 ?
C6A Sc1A C7A 26.2(3) . 6_565 ?
C8A Sc1A C7A 40.1(3) . 6_565 ?
C5A Sc1A C7A 52.0(3) . 6_565 ?
C1A Sc1A C7A 57.8(3) . 6_565 ?
C2A Sc1A C7A 92.5(3) . 6_565 ?
C4A Sc1A C7A 84.9(3) . 6_565 ?
Sc2A Sc2A C63A 133.9(4) 6_565 6_565 ?
Sc2A Sc2A C62A 92.8(3) 6_565 6_565 ?
C63A Sc2A C62A 44.8(5) 6_565 6_565 ?
Sc2A Sc2A N1A 71.63(6) 6_565 . ?
C63A Sc2A N1A 139.1(4) 6_565 . ?
C62A Sc2A N1A 156.4(3) 6_565 . ?
Sc2A Sc2A C32A 79.1(3) 6_565 6_565 ?
C63A Sc2A C32A 76.0(5) 6_565 6_565 ?
C62A Sc2A C32A 40.1(3) 6_565 6_565 ?
N1A Sc2A C32A 144.8(3) . 6_565 ?
Sc2A Sc2A C33A 104.6(3) 6_565 . ?
C63A Sc2A C33A 54.7(5) 6_565 . ?
C62A Sc2A C33A 36.1(3) 6_565 . ?
N1A Sc2A C33A 163.8(3) . . ?
C32A Sc2A C33A 25.8(4) 6_565 . ?
Sc2A Sc2A C64A 163.1(4) 6_565 6_565 ?
C63A Sc2A C64A 40.2(5) 6_565 6_565 ?
C62A Sc2A C64A 74.6(4) 6_565 6_565 ?
N1A Sc2A C64A 123.8(4) . 6_565 ?
C32A Sc2A C64A 84.0(4) 6_565 6_565 ?
C33A Sc2A C64A 58.6(5) . 6_565 ?
Sc2A Sc2A C37A 113.3(3) 6_565 . ?
C63A Sc2A C37A 24.8(5) 6_565 . ?
C62A Sc2A C37A 20.8(4) 6_565 . ?
N1A Sc2A C37A 159.4(3) . . ?
C32A Sc2A C37A 53.0(4) 6_565 . ?
C33A Sc2A C37A 36.8(3) . . ?
C64A Sc2A C37A 55.3(5) 6_565 . ?
Sc2A Sc2A C31A 94.9(2) 6_565 6_565 ?
C63A Sc2A C31A 89.7(4) 6_565 6_565 ?
C62A Sc2A C31A 73.9(3) 6_565 6_565 ?
N1A Sc2A C31A 123.7(3) . 6_565 ?
C32A Sc2A C31A 39.3(4) 6_565 6_565 ?
C33A Sc2A C31A 40.1(3) . 6_565 ?
C64A Sc2A C31A 71.0(4) 6_565 6_565 ?
C37A Sc2A C31A 76.6(4) . 6_565 ?
Sc2A Sc2A C32A 68.0(3) 6_565 . ?
C63A Sc2A C32A 84.7(5) 6_565 . ?
C62A Sc2A C32A 44.6(4) 6_565 . ?
N1A Sc2A C32A 135.2(3) . . ?
C32A Sc2A C32A 11.1(5) 6_565 . ?
C33A Sc2A C32A 36.8(3) . . ?
C64A Sc2A C32A 95.1(5) 6_565 . ?
C37A Sc2A C32A 60.6(3) . . ?
C31A Sc2A C32A 44.5(3) 6_565 . ?
Sc2A Sc2A C38A 82.9(2) 6_565 . ?
C63A Sc2A C38A 51.0(5) 6_565 . ?
C62A Sc2A C38A 24.3(3) 6_565 . ?
N1A Sc2A C38A 132.8(3) . . ?
C32A Sc2A C38A 59.5(3) 6_565 . ?
C33A Sc2A C38A 60.3(3) . . ?
C64A Sc2A C38A 89.4(5) 6_565 . ?
C37A Sc2A C38A 35.6(3) . . ?
C31A Sc2A C38A 96.9(4) 6_565 . ?
C32A Sc2A C38A 59.7(3) . . ?
Sc2A Sc2A C34A 127.8(2) 6_565 . ?
C63A Sc2A C34A 62.0(4) 6_565 . ?
C62A Sc2A C34A 68.8(4) 6_565 . ?
N1A Sc2A C34A 134.7(3) . . ?
C32A Sc2A C34A 55.0(4) 6_565 . ?
C33A Sc2A C34A 35.6(3) . . ?
C64A Sc2A C34A 37.3(5) 6_565 . ?
C37A Sc2A C34A 59.5(3) . . ?
C31A Sc2A C34A 33.8(3) 6_565 . ?
C32A Sc2A C34A 65.0(3) . . ?
C38A Sc2A C34A 92.3(4) . . ?
Sc3A Sc3A C54A 137.2(4) 6_565 6_565 ?
Sc3A Sc3A N1A 76.76(6) 6_565 . ?
C54A Sc3A N1A 142.2(3) 6_565 . ?
Sc3A Sc3A C27A 120.8(3) 6_565 6_565 ?
C54A Sc3A C27A 41.9(4) 6_565 6_565 ?
N1A Sc3A C27A 146.7(3) . 6_565 ?
Sc3A Sc3A C53A 104.0(3) 6_565 6_565 ?
C54A Sc3A C53A 40.8(4) 6_565 6_565 ?
N1A Sc3A C53A 132.8(3) . 6_565 ?
C27A Sc3A C53A 73.9(4) 6_565 6_565 ?
Sc3A Sc3A C21A 87.9(3) 6_565 . ?
C54A Sc3A C21A 50.7(5) 6_565 . ?
N1A Sc3A C21A 143.3(3) . . ?
C27A Sc3A C21A 69.3(4) 6_565 . ?
C53A Sc3A C21A 22.0(4) 6_565 . ?
Sc3A Sc3A C26A 84.1(3) 6_565 6_565 ?
C54A Sc3A C26A 69.7(3) 6_565 6_565 ?
N1A Sc3A C26A 143.5(3) . 6_565 ?
C27A Sc3A C26A 36.7(4) 6_565 6_565 ?
C53A Sc3A C26A 81.7(3) 6_565 6_565 ?
C21A Sc3A C26A 64.8(3) . 6_565 ?
Sc3A Sc3A C22A 95.2(2) 6_565 . ?
C54A Sc3A C22A 45.9(4) 6_565 . ?
N1A Sc3A C22A 171.8(3) . . ?
C27A Sc3A C22A 37.3(4) 6_565 . ?
C53A Sc3A C22A 50.4(3) 6_565 . ?
C21A Sc3A C22A 36.1(3) . . ?
C26A Sc3A C22A 31.4(3) 6_565 . ?
Sc3A Sc3A C20A 117.4(3) 6_565 . ?
C54A Sc3A C20A 34.7(4) 6_565 . ?
N1A Sc3A C20A 125.5(3) . . ?
C27A Sc3A C20A 74.3(4) 6_565 . ?
C53A Sc3A C20A 15.3(4) 6_565 . ?
C21A Sc3A C20A 36.9(3) . . ?
C26A Sc3A C20A 90.8(3) 6_565 . ?
C22A Sc3A C20A 59.7(3) . . ?
Sc3A Sc3A C19A 148.2(3) 6_565 . ?
C54A Sc3A C19A 13.1(5) 6_565 . ?
N1A Sc3A C19A 129.1(3) . . ?
C27A Sc3A C19A 50.0(4) 6_565 . ?
C53A Sc3A C19A 45.9(4) 6_565 . ?
C21A Sc3A C19A 60.4(3) . . ?
C26A Sc3A C19A 81.4(4) 6_565 . ?
C22A Sc3A C19A 59.1(3) . . ?
C20A Sc3A C19A 35.3(3) . . ?
Sc3A Sc3A C26A 73.2(3) 6_565 . ?
C54A Sc3A C26A 78.7(4) 6_565 . ?
N1A Sc3A C26A 136.9(3) . . ?
C27A Sc3A C26A 47.6(4) 6_565 . ?
C53A Sc3A C26A 84.7(4) 6_565 . ?
C21A Sc3A C26A 65.4(3) . . ?
C26A Sc3A C26A 10.9(5) 6_565 . ?
C22A Sc3A C26A 36.5(3) . . ?
C20A Sc3A C26A 95.8(3) . . ?
C19A Sc3A C26A 91.0(4) . . ?
Sc3A Sc3A C23A 129.1(3) 6_565 . ?
C54A Sc3A C23A 25.7(4) 6_565 . ?
N1A Sc3A C23A 151.5(3) . . ?
C27A Sc3A C23A 16.2(3) 6_565 . ?
C53A Sc3A C23A 59.8(4) 6_565 . ?
C21A Sc3A C23A 59.8(3) . . ?
C26A Sc3A C23A 47.8(4) 6_565 . ?
C22A Sc3A C23A 35.5(3) . . ?
C20A Sc3A C23A 58.5(3) . . ?
C19A Sc3A C23A 34.7(3) . . ?
C26A Sc3A C23A 58.2(3) . . ?
Sc2A N1A Sc2A 36.74(12) 6_565 . ?
Sc2A N1A Sc3A 97.19(14) 6_565 . ?
Sc2A N1A Sc3A 105.64(14) . . ?
Sc2A N1A Sc3A 105.64(14) 6_565 6_565 ?
Sc2A N1A Sc3A 97.19(13) . 6_565 ?
Sc3A N1A Sc3A 26.49(12) . 6_565 ?
Sc2A N1A Sc1A 102.57(14) 6_565 6_565 ?
Sc2A N1A Sc1A 109.38(15) . 6_565 ?
Sc3A N1A Sc1A 142.38(15) . 6_565 ?
Sc3A N1A Sc1A 151.06(19) 6_565 6_565 ?
Sc2A N1A Sc1A 109.38(15) 6_565 . ?
Sc2A N1A Sc1A 102.57(14) . . ?
Sc3A N1A Sc1A 151.06(19) . . ?
Sc3A N1A Sc1A 142.38(15) 6_565 . ?
Sc1A N1A Sc1A 20.87(10) 6_565 . ?
C8A C1A C8A 78.3(8) . 6_565 ?
C8A C1A C2A 119.2(6) . . ?
C8A C1A C2A 119.2(6) 6_565 . ?
C8A C1A C5A 106.1(6) . . ?
C8A C1A C5A 27.9(5) 6_565 . ?
C2A C1A C5A 105.9(4) . . ?
C8A C1A C5A 27.9(5) . 6_565 ?
C8A C1A C5A 106.1(6) 6_565 6_565 ?
C2A C1A C5A 105.9(4) . 6_565 ?
C5A C1A C5A 133.8(8) . 6_565 ?
C8A C1A Sc1A 70.9(5) . . ?
C8A C1A Sc1A 58.5(5) 6_565 . ?
C2A C1A Sc1A 72.9(4) . . ?
C5A C1A Sc1A 70.9(4) . . ?
C5A C1A Sc1A 87.6(4) 6_565 . ?
C8A C1A Sc1A 58.5(5) . 6_565 ?
C8A C1A Sc1A 70.9(5) 6_565 6_565 ?
C2A C1A Sc1A 72.9(4) . 6_565 ?
C5A C1A Sc1A 87.6(4) . 6_565 ?
C5A C1A Sc1A 70.9(4) 6_565 6_565 ?
Sc1A C1A Sc1A 17.77(10) . 6_565 ?
C57A C2A C57A 108.7(9) . 6_565 ?
C57A C2A C1A 119.5(4) . . ?
C57A C2A C1A 119.5(4) 6_565 . ?
C57A C2A C3A 12.1(6) . 6_565 ?
C57A C2A C3A 120.7(6) 6_565 6_565 ?
C1A C2A C3A 109.0(4) . 6_565 ?
C57A C2A C3A 120.7(6) . . ?
C57A C2A C3A 12.1(6) 6_565 . ?
C1A C2A C3A 109.1(4) . . ?
C3A C2A C3A 132.7(9) 6_565 . ?
C57A C2A Sc1A 88.9(6) . . ?
C57A C2A Sc1A 74.3(5) 6_565 . ?
C1A C2A Sc1A 72.4(4) . . ?
C3A C2A Sc1A 91.1(7) 6_565 . ?
C3A C2A Sc1A 74.8(6) . . ?
C57A C2A Sc1A 74.3(5) . 6_565 ?
C57A C2A Sc1A 88.9(6) 6_565 6_565 ?
C1A C2A Sc1A 72.4(4) . 6_565 ?
C3A C2A Sc1A 74.8(6) 6_565 6_565 ?
C3A C2A Sc1A 91.1(7) . 6_565 ?
Sc1A C2A Sc1A 17.73(10) . 6_565 ?
C57A C3A C58A 128(4) 6_565 6_565 ?
C57A C3A C4A 149(5) 6_565 . ?
C58A C3A C4A 32.7(7) 6_565 . ?
C57A C3A C2A 66(3) 6_565 . ?
C58A C3A C2A 130.7(12) 6_565 . ?
C4A C3A C2A 107.6(7) . . ?
C57A C3A C40A 53(3) 6_565 . ?
C58A C3A C40A 87.5(9) 6_565 . ?
C4A C3A C40A 120.2(7) . . ?
C2A C3A C40A 119.2(7) . . ?
C57A C3A C61A 35(3) 6_565 6_565 ?
C58A C3A C61A 105.9(11) 6_565 6_565 ?
C4A C3A C61A 138.4(9) . 6_565 ?
C2A C3A C61A 101.6(8) . 6_565 ?
C40A C3A C61A 19.4(6) . 6_565 ?
C57A C3A Sc1A 79(4) 6_565 . ?
C58A C3A Sc1A 68.5(9) 6_565 . ?
C4A C3A Sc1A 71.2(7) . . ?
C2A C3A Sc1A 70.3(6) . . ?
C40A C3A Sc1A 90.9(8) . . ?
C61A C3A Sc1A 92.2(8) 6_565 . ?
C57A C3A Sc1A 69(4) 6_565 6_565 ?
C58A C3A Sc1A 82.4(9) 6_565 6_565 ?
C4A C3A Sc1A 82.4(7) . 6_565 ?
C2A C3A Sc1A 57.9(6) . 6_565 ?
C40A C3A Sc1A 92.2(8) . 6_565 ?
C61A C3A Sc1A 88.9(8) 6_565 6_565 ?
Sc1A C3A Sc1A 13.89(10) . 6_565 ?
C58A C4A C9A 104.9(16) 6_565 6_565 ?
C58A C4A C3A 60.6(12) 6_565 . ?
C9A C4A C3A 134.7(12) 6_565 . ?
C58A C4A C5A 144.3(15) 6_565 . ?
C9A C4A C5A 56.6(8) 6_565 . ?
C3A C4A C5A 108.3(7) . . ?
C58A C4A C43A 58.6(12) 6_565 . ?
C9A C4A C43A 61.6(9) 6_565 . ?
C3A C4A C43A 119.1(7) . . ?
C5A C4A C43A 117.9(7) . . ?
C58A C4A C57A 58.7(11) 6_565 6_565 ?
C9A C4A C57A 129.5(11) 6_565 6_565 ?
C3A C4A C57A 5.4(9) . 6_565 ?
C5A C4A C57A 106.8(8) . 6_565 ?
C43A C4A C57A 116.5(7) . 6_565 ?
C58A C4A C8A 128.2(14) 6_565 6_565 ?
C9A C4A C8A 46.9(8) 6_565 6_565 ?
C3A C4A C8A 105.5(7) . 6_565 ?
C5A C4A C8A 16.7(4) . 6_565 ?
C43A C4A C8A 107.8(6) . 6_565 ?
C57A C4A C8A 102.6(8) 6_565 6_565 ?
C58A C4A Sc1A 73.5(11) 6_565 . ?
C9A C4A Sc1A 59.9(7) 6_565 . ?
C3A C4A Sc1A 74.9(7) . . ?
C5A C4A Sc1A 70.8(5) . . ?
C43A C4A Sc1A 84.7(6) . . ?
C57A C4A Sc1A 69.6(6) 6_565 . ?
C8A C4A Sc1A 55.0(4) 6_565 . ?
C8A C5A C9A 92.1(13) 6_565 6_565 ?
C8A C5A C6A 35.2(11) 6_565 . ?
C9A C5A C6A 72.5(7) 6_565 . ?
C8A C5A C4A 127.5(14) 6_565 . ?
C9A C5A C4A 46.8(7) 6_565 . ?
C6A C5A C4A 118.9(7) . . ?
C8A C5A C1A 72.7(11) 6_565 . ?
C9A C5A C1A 132.9(9) 6_565 . ?
C6A C5A C1A 107.5(6) . . ?
C4A C5A C1A 109.1(6) . . ?
C8A C5A Sc1A 55.4(11) 6_565 . ?
C9A C5A Sc1A 62.0(6) 6_565 . ?
C6A C5A Sc1A 71.6(5) . . ?
C4A C5A Sc1A 74.5(5) . . ?
C1A C5A Sc1A 73.2(4) . . ?
C8A C5A Sc1A 48.6(11) 6_565 6_565 ?
C9A C5A Sc1A 76.0(6) 6_565 6_565 ?
C6A C5A Sc1A 72.8(5) . 6_565 ?
C4A C5A Sc1A 85.4(5) . 6_565 ?
C1A C5A Sc1A 60.3(4) . 6_565 ?
Sc1A C5A Sc1A 14.15(9) . 6_565 ?
C8A C6A C7A 88.7(11) 6_565 6_565 ?
C8A C6A C5A 25.3(8) 6_565 . ?
C7A C6A C5A 113.1(8) 6_565 . ?
C8A C6A C56A 135.3(12) 6_565 . ?
C7A C6A C56A 117.6(8) 6_565 . ?
C5A C6A C56A 121.2(7) . . ?
C8A C6A C7A 84.1(10) 6_565 . ?
C7A C6A C7A 4.7(3) 6_565 . ?
C5A C6A C7A 108.7(6) . . ?
C56A C6A C7A 120.6(7) . . ?
C8A C6A C9A 63.8(10) 6_565 6_565 ?
C7A C6A C9A 139.9(10) 6_565 6_565 ?
C5A C6A C9A 48.0(5) . 6_565 ?
C56A C6A C9A 73.8(7) . 6_565 ?
C7A C6A C9A 135.9(9) . 6_565 ?
C8A C6A C12A 137.5(12) 6_565 6_565 ?
C7A C6A C12A 57.5(6) 6_565 6_565 ?
C5A C6A C12A 159.7(9) . 6_565 ?
C56A C6A C12A 60.9(6) . 6_565 ?
C7A C6A C12A 61.2(5) . 6_565 ?
C9A C6A C12A 125.4(8) 6_565 6_565 ?
C8A C6A C10A 110.7(12) 6_565 6_565 ?
C7A C6A C10A 136.6(9) 6_565 6_565 ?
C5A C6A C10A 95.0(7) . 6_565 ?
C56A C6A C10A 26.2(6) . 6_565 ?
C7A C6A C10A 137.9(8) . 6_565 ?
C9A C6A C10A 47.7(6) 6_565 6_565 ?
C12A C6A C10A 84.6(6) 6_565 6_565 ?
C8A C6A C11A 142.6(13) 6_565 6_565 ?
C7A C6A C11A 101.3(6) 6_565 6_565 ?
C5A C6A C11A 135.1(7) . 6_565 ?
C56A C6A C11A 16.4(5) . 6_565 ?
C7A C6A C11A 104.4(6) . 6_565 ?
C9A C6A C11A 87.1(7) 6_565 6_565 ?
C12A C6A C11A 44.6(5) 6_565 6_565 ?
C10A C6A C11A 40.9(5) 6_565 6_565 ?
C8A C6A Sc1A 60.4(10) 6_565 . ?
C7A C6A Sc1A 80.6(8) 6_565 . ?
C5A C6A Sc1A 73.2(5) . . ?
C56A C6A Sc1A 87.4(7) . . ?
C7A C6A Sc1A 77.6(6) . . ?
C9A C6A Sc1A 60.8(5) 6_565 . ?
C12A C6A Sc1A 87.0(5) 6_565 . ?
C10A C6A Sc1A 76.7(7) 6_565 . ?
C11A C6A Sc1A 85.5(5) 6_565 . ?
C8A C6A Sc1A 58.7(10) 6_565 6_565 ?
C7A C6A Sc1A 66.3(7) 6_565 6_565 ?
C5A C6A Sc1A 77.1(5) . 6_565 ?
C56A C6A Sc1A 97.6(7) . 6_565 ?
C7A C6A Sc1A 63.1(5) . 6_565 ?
C9A C6A Sc1A 74.3(5) 6_565 6_565 ?
C12A C6A Sc1A 82.6(5) 6_565 6_565 ?
C10A C6A Sc1A 90.5(7) 6_565 6_565 ?
C11A C6A Sc1A 92.3(4) 6_565 6_565 ?
Sc1A C6A Sc1A 14.83(10) . 6_565 ?
C7A C7A C6A 161.7(6) 6_565 6_565 ?
C7A C7A C8A 120.3(4) 6_565 . ?
C6A C7A C8A 41.6(6) 6_565 . ?
C7A C7A C6A 13.7(5) 6_565 . ?
C6A C7A C6A 148.0(11) 6_565 . ?
C8A C7A C6A 106.7(7) . . ?
C7A C7A C12A 110.7(4) 6_565 . ?
C6A C7A C12A 83.4(7) 6_565 . ?
C8A C7A C12A 120.0(6) . . ?
C6A C7A C12A 120.7(6) . . ?
C7A C7A C12A 56.9(5) 6_565 6_565 ?
C6A C7A C12A 135.8(9) 6_565 6_565 ?
C8A C7A C12A 152.0(8) . 6_565 ?
C6A C7A C12A 67.5(6) . 6_565 ?
C12A C7A C12A 53.9(7) . 6_565 ?
C7A C7A C8A 48.4(5) 6_565 6_565 ?
C6A C7A C8A 113.4(8) 6_565 6_565 ?
C8A C7A C8A 71.9(7) . 6_565 ?
C6A C7A C8A 34.9(5) . 6_565 ?
C12A C7A C8A 145.4(7) . 6_565 ?
C12A C7A C8A 99.4(8) 6_565 6_565 ?
C7A C7A Sc1A 94.4(2) 6_565 6_565 ?
C6A C7A Sc1A 73.2(8) 6_565 6_565 ?
C8A C7A Sc1A 57.9(5) . 6_565 ?
C6A C7A Sc1A 84.9(6) . 6_565 ?
C12A C7A Sc1A 90.4(5) . 6_565 ?
C12A C7A Sc1A 94.2(5) 6_565 6_565 ?
C8A C7A Sc1A 67.9(5) 6_565 6_565 ?
C7A C7A Sc1A 77.0(2) 6_565 . ?
C6A C7A Sc1A 90.1(8) 6_565 . ?
C8A C7A Sc1A 68.4(6) . . ?
C6A C7A Sc1A 67.8(6) . . ?
C12A C7A Sc1A 96.5(5) . . ?
C12A C7A Sc1A 84.7(5) 6_565 . ?
C8A C7A Sc1A 55.5(5) 6_565 . ?
Sc1A C7A Sc1A 17.37(11) 6_565 . ?
C5A C8A C6A 119.4(17) 6_565 6_565 ?
C5A C8A C7A 163.6(16) 6_565 . ?
C6A C8A C7A 49.7(9) 6_565 . ?
C5A C8A C1A 79.4(11) 6_565 . ?
C6A C8A C1A 159.2(12) 6_565 . ?
C7A C8A C1A 109.9(6) . . ?
C5A C8A C9A 58.8(11) 6_565 . ?
C6A C8A C9A 80.1(10) 6_565 . ?
C7A C8A C9A 122.5(7) . . ?
C1A C8A C9A 119.6(7) . . ?
C5A C8A C7A 167.7(15) 6_565 6_565 ?
C6A C8A C7A 60.9(8) 6_565 6_565 ?
C7A C8A C7A 11.3(5) . 6_565 ?
C1A C8A C7A 98.7(7) . 6_565 ?
C9A C8A C7A 130.7(7) . 6_565 ?
C5A C8A C8A 130.1(11) 6_565 6_565 ?
C6A C8A C8A 109.3(9) 6_565 6_565 ?
C7A C8A C8A 59.7(4) . 6_565 ?
C1A C8A C8A 50.9(4) . 6_565 ?
C9A C8A C8A 145.9(6) . 6_565 ?
C7A C8A C8A 48.4(5) 6_565 6_565 ?
C5A C8A C4A 35.9(10) 6_565 6_565 ?
C6A C8A C4A 112.6(11) 6_565 6_565 ?
C7A C8A C4A 152.8(8) . 6_565 ?
C1A C8A C4A 87.8(5) . 6_565 ?
C9A C8A C4A 33.0(5) . 6_565 ?
C7A C8A C4A 156.4(8) 6_565 6_565 ?
C8A C8A C4A 130.0(4) 6_565 6_565 ?
C5A C8A Sc1A 108.4(13) 6_565 6_565 ?
C6A C8A Sc1A 96.1(10) 6_565 6_565 ?
C7A C8A Sc1A 86.3(6) . 6_565 ?
C1A C8A Sc1A 85.1(5) . 6_565 ?
C9A C8A Sc1A 71.3(6) . 6_565 ?
C7A C8A Sc1A 83.5(5) 6_565 6_565 ?
C8A C8A Sc1A 75.0(3) 6_565 6_565 ?
C4A C8A Sc1A 74.5(5) 6_565 6_565 ?
C5A C8A Sc1A 118.5(13) 6_565 . ?
C6A C8A Sc1A 101.3(10) 6_565 . ?
C7A C8A Sc1A 77.6(6) . . ?
C1A C8A Sc1A 74.2(5) . . ?
C9A C8A Sc1A 88.9(6) . . ?
C7A C8A Sc1A 72.1(5) 6_565 . ?
C8A C8A Sc1A 57.3(2) 6_565 . ?
C4A C8A Sc1A 88.2(5) 6_565 . ?
Sc1A C8A Sc1A 17.69(13) 6_565 . ?
C4A C9A C5A 76.5(9) 6_565 6_565 ?
C4A C9A C43A 73.7(10) 6_565 6_565 ?
C5A C9A C43A 149.5(11) 6_565 6_565 ?
C4A C9A C8A 100.1(10) 6_565 . ?
C5A C9A C8A 29.1(6) 6_565 . ?
C43A C9A C8A 168.2(10) 6_565 . ?
C4A C9A C58A 30.4(7) 6_565 . ?
C5A C9A C58A 102.0(8) 6_565 . ?
C43A C9A C58A 52.4(8) 6_565 . ?
C8A C9A C58A 117.7(7) . . ?
C4A C9A C10A 143.3(12) 6_565 . ?
C5A C9A C10A 138.9(11) 6_565 . ?
C43A C9A C10A 69.8(9) 6_565 . ?
C8A C9A C10A 116.4(7) . . ?
C58A C9A C10A 118.9(10) . . ?
C4A C9A C6A 135.5(12) 6_565 6_565 ?
C5A C9A C6A 59.5(7) 6_565 6_565 ?
C43A C9A C6A 150.8(10) 6_565 6_565 ?
C8A C9A C6A 36.1(5) . 6_565 ?
C58A C9A C6A 151.2(8) . 6_565 ?
C10A C9A C6A 81.1(7) . 6_565 ?
C4A C9A C44A 125.9(12) 6_565 6_565 ?
C5A C9A C44A 155.7(11) 6_565 6_565 ?
C43A C9A C44A 52.3(7) 6_565 6_565 ?
C8A C9A C44A 133.5(8) . 6_565 ?
C58A C9A C44A 102.2(9) . 6_565 ?
C10A C9A C44A 17.5(7) . 6_565 ?
C6A C9A C44A 98.6(7) 6_565 6_565 ?
C4A C9A C56A 174.9(13) 6_565 6_565 ?
C5A C9A C56A 108.5(9) 6_565 6_565 ?
C43A C9A C56A 101.2(8) 6_565 6_565 ?
C8A C9A C56A 84.9(7) . 6_565 ?
C58A C9A C56A 145.5(9) . 6_565 ?
C10A C9A C56A 31.6(6) . 6_565 ?
C6A C9A C56A 49.6(6) 6_565 6_565 ?
C44A C9A C56A 49.0(6) 6_565 6_565 ?
C4A C9A Sc1A 93.9(9) 6_565 6_565 ?
C5A C9A Sc1A 86.8(7) 6_565 6_565 ?
C43A C9A Sc1A 101.8(7) 6_565 6_565 ?
C8A C9A Sc1A 68.2(5) . 6_565 ?
C58A C9A Sc1A 79.0(5) . 6_565 ?
C10A C9A Sc1A 96.7(8) . 6_565 ?
C6A C9A Sc1A 78.1(5) 6_565 6_565 ?
C44A C9A Sc1A 99.4(7) 6_565 6_565 ?
C56A C9A Sc1A 87.0(6) 6_565 6_565 ?
C4A C9A Sc1A 93.8(9) 6_565 . ?
C5A C9A Sc1A 78.1(7) 6_565 . ?
C43A C9A Sc1A 110.3(7) 6_565 . ?
C8A C9A Sc1A 59.4(5) . . ?
C58A C9A Sc1A 83.0(5) . . ?
C10A C9A Sc1A 101.8(7) . . ?
C6A C9A Sc1A 72.0(5) 6_565 . ?
C44A C9A Sc1A 106.4(6) 6_565 . ?
C56A C9A Sc1A 87.9(6) 6_565 . ?
Sc1A C9A Sc1A 8.91(10) 6_565 . ?
C44A C10A C56A 162(3) 6_565 6_565 ?
C44A C10A C70A 25(2) 6_565 . ?
C56A C10A C70A 139.0(14) 6_565 . ?
C44A C10A C11A 130(2) 6_565 . ?
C56A C10A C11A 31.6(10) 6_565 . ?
C70A C10A C11A 107.9(7) . . ?
C44A C10A C9A 104(3) 6_565 . ?
C56A C10A C9A 92.9(12) 6_565 . ?
C70A C10A C9A 116.6(13) . . ?
C11A C10A C9A 120.0(8) . . ?
C44A C10A C43A 53(2) 6_565 6_565 ?
C56A C10A C43A 142.9(17) 6_565 6_565 ?
C70A C10A C43A 69.4(9) . 6_565 ?
C11A C10A C43A 158.2(15) . 6_565 ?
C9A C10A C43A 50.6(8) . 6_565 ?
C44A C10A C45A 35.0(18) 6_565 6_565 ?
C56A C10A C45A 127.4(15) 6_565 6_565 ?
C70A C10A C45A 12.8(7) . 6_565 ?
C11A C10A C45A 95.9(8) . 6_565 ?
C9A C10A C45A 128.6(13) . 6_565 ?
C43A C10A C45A 82.2(9) 6_565 6_565 ?
C44A C10A C6A 155(3) 6_565 6_565 ?
C56A C10A C6A 41.8(9) 6_565 6_565 ?
C70A C10A C6A 155.2(15) . 6_565 ?
C11A C10A C6A 71.5(5) . 6_565 ?
C9A C10A C6A 51.1(5) . 6_565 ?
C43A C10A C6A 101.7(9) 6_565 6_565 ?
C45A C10A C6A 155.7(12) 6_565 6_565 ?
C44A C10A Sc1A 106(4) 6_565 6_565 ?
C56A C10A Sc1A 79.0(15) 6_565 6_565 ?
C70A C10A Sc1A 97.9(12) . 6_565 ?
C11A C10A Sc1A 87.0(8) . 6_565 ?
C9A C10A Sc1A 50.1(6) . 6_565 ?
C43A C10A Sc1A 72.3(8) 6_565 6_565 ?
C45A C10A Sc1A 102.4(10) 6_565 6_565 ?
C6A C10A Sc1A 57.4(5) 6_565 6_565 ?
C55A C11A C56A 150(2) 6_565 6_565 ?
C55A C11A C16A 62.3(11) 6_565 . ?
C56A C11A C16A 147.5(15) 6_565 . ?
C55A C11A C10A 168.6(16) 6_565 . ?
C56A C11A C10A 39.5(13) 6_565 . ?
C16A C11A C10A 108.0(7) . . ?
C55A C11A C12A 64.7(12) 6_565 . ?
C56A C11A C12A 85.9(13) 6_565 . ?
C16A C11A C12A 122.1(7) . . ?
C10A C11A C12A 120.9(7) . . ?
C55A C11A C51A 49.0(10) 6_565 6_565 ?
C56A C11A C51A 160.0(18) 6_565 6_565 ?
C16A C11A C51A 13.6(7) . 6_565 ?
C10A C11A C51A 121.0(8) . 6_565 ?
C12A C11A C51A 108.9(7) . 6_565 ?
C55A C11A C44A 156.9(16) 6_565 6_565 ?
C56A C11A C44A 52.3(12) 6_565 6_565 ?
C16A C11A C44A 95.2(7) . 6_565 ?
C10A C11A C44A 12.9(6) . 6_565 ?
C12A C11A C44A 131.9(7) . 6_565 ?
C51A C11A C44A 108.2(9) 6_565 6_565 ?
C55A C11A C13A 30.1(10) 6_565 6_565 ?
C56A C11A C13A 122.2(15) 6_565 6_565 ?
C16A C11A C13A 86.2(5) . 6_565 ?
C10A C11A C13A 150.9(9) . 6_565 ?
C12A C11A C13A 36.5(5) . 6_565 ?
C51A C11A C13A 72.7(6) 6_565 6_565 ?
C44A C11A C13A 155.0(9) 6_565 6_565 ?
C55A C11A C6A 119.5(14) 6_565 6_565 ?
C56A C11A C6A 31.1(11) 6_565 6_565 ?
C16A C11A C6A 162.4(9) . 6_565 ?
C10A C11A C6A 67.6(5) . 6_565 ?
C12A C11A C6A 55.0(5) . 6_565 ?
C51A C11A C6A 157.8(9) 6_565 6_565 ?
C44A C11A C6A 80.1(6) 6_565 6_565 ?
C13A C11A C6A 91.1(6) 6_565 6_565 ?
C13A C12A C55A 66.3(8) 6_565 6_565 ?
C13A C12A C12A 71.0(6) 6_565 6_565 ?
C55A C12A C12A 135.0(7) 6_565 6_565 ?
C13A C12A C7A 140.2(8) 6_565 . ?
C55A C12A C7A 150.0(9) 6_565 . ?
C12A C12A C7A 69.3(4) 6_565 . ?
C13A C12A C11A 97.0(7) 6_565 . ?
C55A C12A C11A 31.6(7) 6_565 . ?
C12A C12A C11A 154.9(5) 6_565 . ?
C7A C12A C11A 118.6(6) . . ?
C13A C12A C13A 22.6(7) 6_565 . ?
C55A C12A C13A 88.2(8) 6_565 . ?
C12A C12A C13A 48.4(4) 6_565 . ?
C7A C12A C13A 117.7(6) . . ?
C11A C12A C13A 117.6(6) . . ?
C13A C12A C56A 125.9(9) 6_565 6_565 ?
C55A C12A C56A 60.6(8) 6_565 6_565 ?
C12A C12A C56A 151.3(6) 6_565 6_565 ?
C7A C12A C56A 90.0(7) . 6_565 ?
C11A C12A C56A 29.1(5) . 6_565 ?
C13A C12A C56A 145.1(7) . 6_565 ?
C13A C12A C7A 127.8(10) 6_565 6_565 ?
C55A C12A C7A 159.7(10) 6_565 6_565 ?
C12A C12A C7A 56.9(5) 6_565 6_565 ?
C7A C12A C7A 12.4(6) . 6_565 ?
C11A C12A C7A 129.5(7) . 6_565 ?
C13A C12A C7A 105.3(6) . 6_565 ?
C56A C12A C7A 101.6(7) 6_565 6_565 ?
C13A C12A C6A 170.2(9) 6_565 6_565 ?
C55A C12A C6A 112.0(9) 6_565 6_565 ?
C12A C12A C6A 107.6(5) 6_565 6_565 ?
C7A C12A C6A 39.1(5) . 6_565 ?
C11A C12A C6A 80.4(6) . 6_565 ?
C13A C12A C6A 154.5(7) . 6_565 ?
C56A C12A C6A 51.4(6) 6_565 6_565 ?
C7A C12A C6A 51.3(5) 6_565 6_565 ?
C13A C12A Sc1A 114.4(7) 6_565 6_565 ?
C55A C12A Sc1A 101.4(7) 6_565 6_565 ?
C12A C12A Sc1A 83.36(19) 6_565 6_565 ?
C7A C12A Sc1A 58.8(4) . 6_565 ?
C11A C12A Sc1A 81.9(5) . 6_565 ?
C13A C12A Sc1A 106.2(5) . 6_565 ?
C56A C12A Sc1A 68.7(6) 6_565 6_565 ?
C7A C12A Sc1A 60.7(4) 6_565 6_565 ?
C6A C12A Sc1A 56.0(4) 6_565 6_565 ?
C13A C13A C12A 109.0(6) 6_565 6_565 ?
C13A C13A C14A 77.0(4) 6_565 . ?
C12A C13A C14A 157.7(11) 6_565 . ?
C13A C13A C55A 163.5(7) 6_565 . ?
C12A C13A C55A 61.4(7) 6_565 . ?
C14A C13A C55A 107.0(6) . . ?
C13A C13A C12A 48.4(4) 6_565 . ?
C12A C13A C12A 60.6(8) 6_565 . ?
C14A C13A C12A 121.6(6) . . ?
C55A C13A C12A 120.3(7) . . ?
C13A C13A C55A 11.5(5) 6_565 6_565 ?
C12A C13A C55A 101.7(7) 6_565 6_565 ?
C14A C13A C55A 80.4(5) . 6_565 ?
C55A C13A C55A 152.0(12) . 6_565 ?
C12A C13A C55A 42.0(4) . 6_565 ?
C13A C13A C11A 149.0(4) 6_565 6_565 ?
C12A C13A C11A 46.5(6) 6_565 6_565 ?
C14A C13A C11A 118.7(7) . 6_565 ?
C55A C13A C11A 16.2(6) . 6_565 ?
C12A C13A C11A 104.2(6) . 6_565 ?
C55A C13A C11A 138.0(7) 6_565 6_565 ?
C13A C14A C13A 26.1(8) . 6_565 ?
C13A C14A C52A 109.3(6) . . ?
C13A C14A C52A 133.7(7) 6_565 . ?
C13A C14A C52A 133.7(7) . 6_565 ?
C13A C14A C52A 109.3(6) 6_565 6_565 ?
C52A C14A C52A 105.8(10) . 6_565 ?
C13A C14A C15A 94.7(5) . 6_565 ?
C13A C14A C15A 119.4(6) 6_565 6_565 ?
C52A C14A C15A 14.7(6) . 6_565 ?
C52A C14A C15A 118.6(7) 6_565 6_565 ?
C13A C14A C15A 119.4(6) . . ?
C13A C14A C15A 94.7(5) 6_565 . ?
C52A C14A C15A 118.6(7) . . ?
C52A C14A C15A 14.7(6) 6_565 . ?
C15A C14A C15A 130.1(10) 6_565 . ?
C52A C15A C51A 173(5) 6_565 6_565 ?
C52A C15A C20A 66(2) 6_565 . ?
C51A C15A C20A 118.6(13) 6_565 . ?
C52A C15A C16A 167(4) 6_565 . ?
C51A C15A C16A 6.6(16) 6_565 . ?
C20A C15A C16A 119.3(7) . . ?
C52A C15A C14A 54(2) 6_565 . ?
C51A C15A C14A 120.3(13) 6_565 . ?
C20A C15A C14A 117.8(6) . . ?
C16A C15A C14A 117.0(7) . . ?
C52A C15A C53A 49(2) 6_565 6_565 ?
C51A C15A C53A 134.6(16) 6_565 6_565 ?
C20A C15A C53A 19.7(6) . 6_565 ?
C16A C15A C53A 133.4(9) . 6_565 ?
C14A C15A C53A 98.5(7) . 6_565 ?
C52A C15A C55A 131(3) 6_565 6_565 ?
C51A C15A C55A 42.7(8) 6_565 6_565 ?
C20A C15A C55A 157.1(10) . 6_565 ?
C16A C15A C55A 40.3(5) . 6_565 ?
C14A C15A C55A 77.7(6) . 6_565 ?
C53A C15A C55A 158.1(13) 6_565 6_565 ?
C52A C15A Sc3A 74(4) 6_565 . ?
C51A C15A Sc3A 103.2(16) 6_565 . ?
C20A C15A Sc3A 56.1(6) . . ?
C16A C15A Sc3A 98.1(8) . . ?
C14A C15A Sc3A 92.3(7) . . ?
C53A C15A Sc3A 48.7(6) 6_565 . ?
C55A C15A Sc3A 109.5(8) 6_565 . ?
C51A C16A C55A 95(2) 6_565 6_565 ?
C51A C16A C50A 100(2) 6_565 6_565 ?
C55A C16A C50A 159.7(18) 6_565 6_565 ?
C51A C16A C11A 128(2) 6_565 . ?
C55A C16A C11A 33.5(7) 6_565 . ?
C50A C16A C11A 128.6(11) 6_565 . ?
C51A C16A C17A 122(2) 6_565 . ?
C55A C16A C17A 140.2(11) 6_565 . ?
C50A C16A C17A 21.4(8) 6_565 . ?
C11A C16A C17A 107.4(7) . . ?
C51A C16A C15A 12(3) 6_565 . ?
C55A C16A C15A 91.0(9) 6_565 . ?
C50A C16A C15A 100.9(9) 6_565 . ?
C11A C16A C15A 122.2(7) . . ?
C17A C16A C15A 120.7(8) . . ?
C51A C16A C52A 15(3) 6_565 6_565 ?
C55A C16A C52A 89.3(10) 6_565 6_565 ?
C50A C16A C52A 101.8(10) 6_565 6_565 ?
C11A C16A C52A 120.0(8) . 6_565 ?
C17A C16A C52A 121.1(8) . 6_565 ?
C15A C16A C52A 3.1(10) . 6_565 ?
C50A C17A C45A 164(3) 6_565 6_565 ?
C50A C17A C70A 169(4) 6_565 . ?
C45A C17A C70A 17.8(12) 6_565 . ?
C50A C17A C18A 55(3) 6_565 . ?
C45A C17A C18A 109.2(14) 6_565 . ?
C70A C17A C18A 122.4(8) . . ?
C50A C17A C16A 70(2) 6_565 . ?
C45A C17A C16A 124.8(13) 6_565 . ?
C70A C17A C16A 107.4(7) . . ?
C18A C17A C16A 120.4(8) . . ?
C50A C17A C49A 41(3) 6_565 6_565 ?
C45A C17A C49A 122.6(16) 6_565 6_565 ?
C70A C17A C49A 134.6(10) . 6_565 ?
C18A C17A C49A 13.8(7) . 6_565 ?
C16A C17A C49A 106.9(8) . 6_565 ?
C50A C17A C51A 56(2) 6_565 6_565 ?
C45A C17A C51A 138.6(16) 6_565 6_565 ?
C70A C17A C51A 120.9(8) . 6_565 ?
C18A C17A C51A 106.0(8) . 6_565 ?
C16A C17A C51A 14.7(5) . 6_565 ?
C49A C17A C51A 92.3(9) 6_565 6_565 ?
C50A C17A C44A 154(3) 6_565 6_565 ?
C45A C17A C44A 40.0(9) 6_565 6_565 ?
C70A C17A C44A 23.3(6) . 6_565 ?
C18A C17A C44A 143.9(10) . 6_565 ?
C16A C17A C44A 84.8(7) . 6_565 ?
C49A C17A C44A 153.5(13) 6_565 6_565 ?
C51A C17A C44A 99.0(8) 6_565 6_565 ?
C49A C18A C50A 103(3) 6_565 6_565 ?
C49A C18A C48A 93(3) 6_565 6_565 ?
C50A C18A C48A 156.4(19) 6_565 6_565 ?
C49A C18A C17A 123(2) 6_565 . ?
C50A C18A C17A 20.8(10) 6_565 . ?
C48A C18A C17A 138.0(11) 6_565 . ?
C49A C18A C67A 114(2) 6_565 . ?
C50A C18A C67A 139.2(13) 6_565 . ?
C48A C18A C67A 20.9(8) 6_565 . ?
C17A C18A C67A 118.9(7) . . ?
C49A C18A C19A 6(2) 6_565 . ?
C50A C18A C19A 97.6(10) 6_565 . ?
C48A C18A C19A 97.8(10) 6_565 . ?
C17A C18A C19A 117.9(7) . . ?
C67A C18A C19A 118.6(7) . . ?
C49A C18A C45A 149(3) 6_565 6_565 ?
C50A C18A C45A 47.7(9) 6_565 6_565 ?
C48A C18A C45A 112.5(11) 6_565 6_565 ?
C17A C18A C45A 26.9(6) . 6_565 ?
C67A C18A C45A 92.4(7) . 6_565 ?
C19A C18A C45A 143.8(8) . 6_565 ?
C49A C18A C54A 14(3) 6_565 6_565 ?
C50A C18A C54A 101.8(12) 6_565 6_565 ?
C48A C18A C54A 89.6(11) 6_565 6_565 ?
C17A C18A C54A 120.4(8) . 6_565 ?
C67A C18A C54A 109.8(8) . 6_565 ?
C19A C18A C54A 13.4(7) . 6_565 ?
C45A C18A C54A 142.7(10) 6_565 6_565 ?
C49A C18A Sc3A 61(3) 6_565 . ?
C50A C18A Sc3A 93.4(13) 6_565 . ?
C48A C18A Sc3A 79.2(10) 6_565 . ?
C17A C18A Sc3A 99.5(9) . . ?
C67A C18A Sc3A 89.9(8) . . ?
C19A C18A Sc3A 59.5(7) . . ?
C45A C18A Sc3A 105.9(8) 6_565 . ?
C54A C18A Sc3A 47.1(6) 6_565 . ?
C54A C19A C49A 133(3) 6_565 6_565 ?
C54A C19A C23A 41.7(14) 6_565 . ?
C49A C19A C23A 117.1(13) 6_565 . ?
C54A C19A C20A 68.7(16) 6_565 . ?
C49A C19A C20A 121.9(13) 6_565 . ?
C23A C19A C20A 108.4(7) . . ?
C54A C19A C18A 133(2) 6_565 . ?
C49A C19A C18A 2.8(11) 6_565 . ?
C23A C19A C18A 119.6(7) . . ?
C20A C19A C18A 119.2(8) . . ?
C54A C19A C53A 49.2(15) 6_565 6_565 ?
C49A C19A C53A 131.6(16) 6_565 6_565 ?
C23A C19A C53A 89.6(7) . 6_565 ?
C20A C19A C53A 19.5(5) . 6_565 ?
C18A C19A C53A 129.2(10) . 6_565 ?
C54A C19A C27A 37.9(14) 6_565 6_565 ?
C49A C19A C27A 106.3(14) 6_565 6_565 ?
C23A C19A C27A 18.3(5) . 6_565 ?
C20A C19A C27A 106.1(8) . 6_565 ?
C18A C19A C27A 108.3(8) . 6_565 ?
C53A C19A C27A 86.7(7) 6_565 6_565 ?
C54A C19A C50A 134(2) 6_565 6_565 ?
C49A C19A C50A 38.8(9) 6_565 6_565 ?
C23A C19A C50A 151.3(10) . 6_565 ?
C20A C19A C50A 85.3(7) . 6_565 ?
C18A C19A C50A 36.0(6) . 6_565 ?
C53A C19A C50A 100.1(8) 6_565 6_565 ?
C27A C19A C50A 134.6(11) 6_565 6_565 ?
C54A C19A Sc3A 48(2) 6_565 . ?
C49A C19A Sc3A 88.8(14) 6_565 . ?
C23A C19A Sc3A 73.3(6) . . ?
C20A C19A Sc3A 71.3(7) . . ?
C18A C19A Sc3A 88.3(8) . . ?
C53A C19A Sc3A 59.5(6) 6_565 . ?
C27A C19A Sc3A 56.6(5) 6_565 . ?
C50A C19A Sc3A 88.4(8) 6_565 . ?
C53A C20A C52A 96.1(17) 6_565 6_565 ?
C53A C20A C54A 86.5(15) 6_565 6_565 ?
C52A C20A C54A 146.5(17) 6_565 6_565 ?
C53A C20A C15A 112.1(15) 6_565 . ?
C52A C20A C15A 17.6(7) 6_565 . ?
C54A C20A C15A 136.1(11) 6_565 . ?
C53A C20A C19A 111.8(16) 6_565 . ?
C52A C20A C19A 136.2(11) 6_565 . ?
C54A C20A C19A 25.4(7) 6_565 . ?
C15A C20A C19A 120.0(7) . . ?
C53A C20A C21A 10.7(14) 6_565 . ?
C52A C20A C21A 105.2(8) 6_565 . ?
C54A C20A C21A 82.0(8) 6_565 . ?
C15A C20A C21A 121.8(7) . . ?
C19A C20A C21A 107.1(7) . . ?
C53A C20A C51A 131.3(18) 6_565 6_565 ?
C52A C20A C51A 41.2(6) 6_565 6_565 ?
C54A C20A C51A 116.3(11) 6_565 6_565 ?
C15A C20A C51A 23.7(6) . 6_565 ?
C19A C20A C51A 96.9(7) . 6_565 ?
C21A C20A C51A 141.9(8) . 6_565 ?
C53A C20A Sc3A 61.8(19) 6_565 . ?
C52A C20A Sc3A 92.8(11) 6_565 . ?
C54A C20A Sc3A 59.1(7) 6_565 . ?
C15A C20A Sc3A 94.0(8) . . ?
C19A C20A Sc3A 73.4(7) . . ?
C21A C20A Sc3A 67.6(6) . . ?
C51A C20A Sc3A 92.5(7) 6_565 . ?
C21A C21A C53A 135.3(10) 6_565 6_565 ?
C21A C21A C22A 102.0(4) 6_565 . ?
C53A C21A C22A 112.1(11) 6_565 . ?
C21A C21A C20A 143.0(5) 6_565 . ?
C53A C21A C20A 8.0(11) 6_565 . ?
C22A C21A C20A 107.8(6) . . ?
C21A C21A C53A 23.5(5) 6_565 . ?
C53A C21A C53A 111.9(13) 6_565 . ?
C22A C21A C53A 119.2(7) . . ?
C20A C21A C53A 119.6(7) . . ?
C21A C21A C22A 52.7(5) 6_565 6_565 ?
C53A C21A C22A 149.0(13) 6_565 6_565 ?
C22A C21A C22A 49.3(6) . 6_565 ?
C20A C21A C22A 150.2(8) . 6_565 ?
C53A C21A C22A 71.7(6) . 6_565 ?
C21A C21A C54A 148.4(5) 6_565 6_565 ?
C53A C21A C54A 50.0(10) 6_565 6_565 ?
C22A C21A C54A 62.1(6) . 6_565 ?
C20A C21A C54A 46.2(5) . 6_565 ?
C53A C21A C54A 139.4(9) . 6_565 ?
C22A C21A C54A 106.2(6) 6_565 6_565 ?
C21A C21A Sc3A 92.1(3) 6_565 . ?
C53A C21A Sc3A 70.9(11) 6_565 . ?
C22A C21A Sc3A 74.8(5) . . ?
C20A C21A Sc3A 75.5(6) . . ?
C53A C21A Sc3A 82.1(7) . . ?
C22A C21A Sc3A 79.4(4) 6_565 . ?
C54A C21A Sc3A 58.3(5) 6_565 . ?
C21A C21A Sc3A 69.4(3) 6_565 6_565 ?
C53A C21A Sc3A 88.2(11) 6_565 6_565 ?
C22A C21A Sc3A 80.5(5) . 6_565 ?
C20A C21A Sc3A 94.2(7) . 6_565 ?
C53A C21A Sc3A 61.1(6) . 6_565 ?
C22A C21A Sc3A 66.0(4) 6_565 6_565 ?
C54A C21A Sc3A 80.6(5) 6_565 6_565 ?
Sc3A C21A Sc3A 22.75(13) . 6_565 ?
C26A C22A C22A 69.0(8) 6_565 6_565 ?
C26A C22A C21A 131.6(8) 6_565 . ?
C22A C22A C21A 78.0(4) 6_565 . ?
C26A C22A C27A 62.4(8) 6_565 6_565 ?
C22A C22A C27A 126.5(6) 6_565 6_565 ?
C21A C22A C27A 119.8(8) . 6_565 ?
C26A C22A C23A 89.9(9) 6_565 . ?
C22A C22A C23A 154.4(5) 6_565 . ?
C21A C22A C23A 108.3(6) . . ?
C27A C22A C23A 28.6(6) 6_565 . ?
C26A C22A C26A 16.7(9) 6_565 . ?
C22A C22A C26A 52.3(4) 6_565 . ?
C21A C22A C26A 119.9(6) . . ?
C27A C22A C26A 77.9(7) 6_565 . ?
C23A C22A C26A 106.0(6) . . ?
C26A C22A C54A 112.3(9) 6_565 6_565 ?
C22A C22A C54A 137.7(5) 6_565 6_565 ?
C21A C22A C54A 71.0(6) . 6_565 ?
C27A C22A C54A 54.6(8) 6_565 6_565 ?
C23A C22A C54A 37.4(6) . 6_565 ?
C26A C22A C54A 123.3(7) . 6_565 ?
C26A C22A C21A 112.5(10) 6_565 6_565 ?
C22A C22A C21A 52.7(5) 6_565 6_565 ?
C21A C22A C21A 25.3(7) . 6_565 ?
C27A C22A C21A 131.7(7) 6_565 6_565 ?
C23A C22A C21A 130.5(7) . 6_565 ?
C26A C22A C21A 98.0(6) . 6_565 ?
C54A C22A C21A 93.3(6) 6_565 6_565 ?
C26A C22A C53A 132.5(7) 6_565 6_565 ?
C22A C22A C53A 99.2(5) 6_565 6_565 ?
C21A C22A C53A 24.2(6) . 6_565 ?
C27A C22A C53A 97.6(8) 6_565 6_565 ?
C23A C22A C53A 84.1(6) . 6_565 ?
C26A C22A C53A 128.4(7) . 6_565 ?
C54A C22A C53A 46.8(5) 6_565 6_565 ?
C21A C22A C53A 47.8(5) 6_565 6_565 ?
C26A C22A Sc3A 73.5(5) 6_565 . ?
C22A C22A Sc3A 84.8(2) 6_565 . ?
C21A C22A Sc3A 69.0(5) . . ?
C27A C22A Sc3A 61.8(5) 6_565 . ?
C23A C22A Sc3A 75.0(5) . . ?
C26A C22A Sc3A 74.4(4) . . ?
C54A C22A Sc3A 57.7(5) 6_565 . ?
C21A C22A Sc3A 70.7(4) 6_565 . ?
C53A C22A Sc3A 59.4(5) 6_565 . ?
C26A C22A Sc3A 67.3(5) 6_565 6_565 ?
C22A C22A Sc3A 63.8(2) 6_565 6_565 ?
C21A C22A Sc3A 66.6(5) . 6_565 ?
C27A C22A Sc3A 77.8(5) 6_565 6_565 ?
C23A C22A Sc3A 95.3(5) . 6_565 ?
C26A C22A Sc3A 62.4(4) . 6_565 ?
C54A C22A Sc3A 77.6(5) 6_565 6_565 ?
C21A C22A Sc3A 58.9(4) 6_565 6_565 ?
C53A C22A Sc3A 66.4(5) 6_565 6_565 ?
Sc3A C22A Sc3A 21.01(11) . 6_565 ?
C27A C23A C54A 111.7(18) 6_565 6_565 ?
C27A C23A C19A 122.6(16) 6_565 . ?
C54A C23A C19A 23.1(9) 6_565 . ?
C27A C23A C24A 36.5(12) 6_565 . ?
C54A C23A C24A 125.0(12) 6_565 . ?
C19A C23A C24A 119.8(8) . . ?
C27A C23A C22A 74.5(13) 6_565 . ?
C54A C23A C22A 85.8(10) 6_565 . ?
C19A C23A C22A 108.1(7) . . ?
C24A C23A C22A 109.0(7) . . ?
C27A C23A C28A 47.3(12) 6_565 6_565 ?
C54A C23A C28A 107.0(12) 6_565 6_565 ?
C19A C23A C28A 99.2(7) . 6_565 ?
C24A C23A C28A 20.6(5) . 6_565 ?
C22A C23A C28A 121.4(7) . 6_565 ?
C27A C23A C26A 35.6(12) 6_565 6_565 ?
C54A C23A C26A 110.9(11) 6_565 6_565 ?
C19A C23A C26A 132.5(8) . 6_565 ?
C24A C23A C26A 68.0(5) . 6_565 ?
C22A C23A C26A 41.1(4) . 6_565 ?
C28A C23A C26A 82.6(6) 6_565 6_565 ?
C27A C23A Sc3A 55.0(12) 6_565 . ?
C54A C23A Sc3A 56.7(9) 6_565 . ?
C19A C23A Sc3A 72.0(7) . . ?
C24A C23A Sc3A 78.9(6) . . ?
C22A C23A Sc3A 69.5(5) . . ?
C28A C23A Sc3A 71.6(5) 6_565 . ?
C26A C23A Sc3A 63.5(4) 6_565 . ?
C28A C24A C27A 121.0(19) 6_565 6_565 ?
C28A C24A C25A 113.9(14) 6_565 . ?
C27A C24A C25A 84.7(11) 6_565 . ?
C28A C24A C23A 114.5(14) 6_565 . ?
C27A C24A C23A 26.1(9) 6_565 . ?
C25A C24A C23A 109.6(7) . . ?
C28A C24A C66A 11.2(14) 6_565 . ?
C27A C24A C66A 129.8(12) 6_565 . ?
C25A C24A C66A 118.6(7) . . ?
C23A C24A C66A 118.9(6) . . ?
C28A C24A C29A 53.0(12) 6_565 6_565 ?
C27A C24A C29A 137.2(13) 6_565 6_565 ?
C25A C24A C29A 67.0(6) . 6_565 ?
C23A C24A C29A 156.7(8) . 6_565 ?
C66A C24A C29A 53.3(6) . 6_565 ?
C28A C24A C26A 136.5(16) 6_565 6_565 ?
C27A C24A C26A 44.3(9) 6_565 6_565 ?
C25A C24A C26A 41.7(5) . 6_565 ?
C23A C24A C26A 68.0(5) . 6_565 ?
C66A C24A C26A 146.9(8) . 6_565 ?
C29A C24A C26A 106.4(7) 6_565 6_565 ?
C28A C24A C48A 31.5(10) 6_565 6_565 ?
C27A C24A C48A 98.3(11) 6_565 6_565 ?
C25A C24A C48A 138.3(8) . 6_565 ?
C23A C24A C48A 84.7(6) . 6_565 ?
C66A C24A C48A 34.2(6) . 6_565 ?
C29A C24A C48A 84.5(7) 6_565 6_565 ?
C26A C24A C48A 134.6(7) 6_565 6_565 ?
C28A C24A Sc3A 79.9(14) 6_565 . ?
C27A C24A Sc3A 50.6(9) 6_565 . ?
C25A C24A Sc3A 74.1(5) . . ?
C23A C24A Sc3A 67.6(5) . . ?
C66A C24A Sc3A 91.1(6) . . ?
C29A C24A Sc3A 89.8(5) 6_565 . ?
C26A C24A Sc3A 60.4(4) 6_565 . ?
C48A C24A Sc3A 76.1(5) 6_565 . ?
C25A C25A C26A 75.2(7) 6_565 6_565 ?
C25A C25A C24A 160.1(5) 6_565 . ?
C26A C25A C24A 89.9(9) 6_565 . ?
C25A C25A C30A 67.5(3) 6_565 . ?
C26A C25A C30A 138.7(9) 6_565 . ?
C24A C25A C30A 120.7(6) . . ?
C25A C25A C26A 57.6(4) 6_565 . ?
C26A C25A C26A 17.6(9) 6_565 . ?
C24A C25A C26A 107.0(6) . . ?
C30A C25A C26A 122.4(6) . . ?
C25A C25A C27A 126.4(5) 6_565 6_565 ?
C26A C25A C27A 55.5(7) 6_565 6_565 ?
C24A C25A C27A 35.4(6) . 6_565 ?
C30A C25A C27A 142.0(7) . 6_565 ?
C26A C25A C27A 72.0(7) . 6_565 ?
C25A C25A C29A 124.3(5) 6_565 6_565 ?
C26A C25A C29A 147.0(10) 6_565 6_565 ?
C24A C25A C29A 63.6(6) . 6_565 ?
C30A C25A C29A 57.8(5) . 6_565 ?
C26A C25A C29A 155.4(7) . 6_565 ?
C27A C25A C29A 94.2(7) 6_565 6_565 ?
C25A C25A C28A 152.2(5) 6_565 6_565 ?
C26A C25A C28A 104.2(9) 6_565 6_565 ?
C24A C25A C28A 20.8(5) . 6_565 ?
C30A C25A C28A 100.7(6) . 6_565 ?
C26A C25A C28A 119.4(7) . 6_565 ?
C27A C25A C28A 49.1(6) 6_565 6_565 ?
C29A C25A C28A 45.3(6) 6_565 6_565 ?
C25A C25A Sc3A 88.07(19) 6_565 . ?
C26A C25A Sc3A 64.2(5) 6_565 . ?
C24A C25A Sc3A 73.3(5) . . ?
C30A C25A Sc3A 96.5(4) . . ?
C26A C25A Sc3A 67.0(4) . . ?
C27A C25A Sc3A 54.1(5) 6_565 . ?
C29A C25A Sc3A 88.4(4) 6_565 . ?
C28A C25A Sc3A 67.8(5) 6_565 . ?
C25A C25A Sc3A 68.32(18) 6_565 6_565 ?
C26A C25A Sc3A 60.6(5) 6_565 6_565 ?
C24A C25A Sc3A 92.9(5) . 6_565 ?
C30A C25A Sc3A 88.7(4) . 6_565 ?
C26A C25A Sc3A 57.0(4) . 6_565 ?
C27A C25A Sc3A 69.8(5) 6_565 6_565 ?
C29A C25A Sc3A 99.5(4) 6_565 6_565 ?
C28A C25A Sc3A 87.0(5) 6_565 6_565 ?
Sc3A C25A Sc3A 19.75(11) . 6_565 ?
C26A C26A C22A 111.0(8) 6_565 6_565 ?
C26A C26A C25A 104.8(7) 6_565 6_565 ?
C22A C26A C25A 140.9(14) 6_565 6_565 ?
C26A C26A C27A 158.5(6) 6_565 . ?
C22A C26A C27A 64.9(9) 6_565 . ?
C25A C26A C27A 76.0(8) 6_565 . ?
C26A C26A C25A 57.6(4) 6_565 . ?
C22A C26A C25A 161.6(9) 6_565 . ?
C25A C26A C25A 47.1(8) 6_565 . ?
C27A C26A C25A 119.6(6) . . ?
C26A C26A C22A 52.3(4) 6_565 . ?
C22A C26A C22A 58.7(9) 6_565 . ?
C25A C26A C22A 153.0(9) 6_565 . ?
C27A C26A C22A 119.4(6) . . ?
C25A C26A C22A 108.4(6) . . ?
C26A C26A C27A 16.3(4) 6_565 6_565 ?
C22A C26A C27A 105.9(8) 6_565 6_565 ?
C25A C26A C27A 104.0(8) 6_565 6_565 ?
C27A C26A C27A 142.3(9) . 6_565 ?
C25A C26A C27A 58.9(5) . 6_565 ?
C22A C26A C27A 49.8(5) . 6_565 ?
C26A C26A C24A 150.8(4) 6_565 6_565 ?
C22A C26A C24A 92.9(10) 6_565 6_565 ?
C25A C26A C24A 48.4(6) 6_565 6_565 ?
C27A C26A C24A 28.6(5) . 6_565 ?
C25A C26A C24A 94.7(5) . 6_565 ?
C22A C26A C24A 147.3(6) . 6_565 ?
C27A C26A C24A 142.0(6) 6_565 6_565 ?
C26A C26A C23A 156.4(4) 6_565 6_565 ?
C22A C26A C23A 49.0(7) 6_565 6_565 ?
C25A C26A C23A 92.3(9) 6_565 6_565 ?
C27A C26A C23A 17.2(5) . 6_565 ?
C25A C26A C23A 136.8(7) . 6_565 ?
C22A C26A C23A 106.4(6) . 6_565 ?
C27A C26A C23A 143.2(6) 6_565 6_565 ?
C24A C26A C23A 43.9(5) 6_565 6_565 ?
C26A C26A Sc3A 95.9(3) 6_565 6_565 ?
C22A C26A Sc3A 75.1(5) 6_565 6_565 ?
C25A C26A Sc3A 86.1(6) 6_565 6_565 ?
C27A C26A Sc3A 62.6(5) . 6_565 ?
C25A C26A Sc3A 91.1(5) . 6_565 ?
C22A C26A Sc3A 82.9(4) . 6_565 ?
C27A C26A Sc3A 79.7(5) 6_565 6_565 ?
C24A C26A Sc3A 73.6(4) 6_565 6_565 ?
C23A C26A Sc3A 68.6(4) 6_565 6_565 ?
C26A C26A Sc3A 73.2(3) 6_565 . ?
C22A C26A Sc3A 83.8(5) 6_565 . ?
C25A C26A Sc3A 91.9(6) 6_565 . ?
C27A C26A Sc3A 85.3(6) . . ?
C25A C26A Sc3A 79.1(5) . . ?
C22A C26A Sc3A 69.1(4) . . ?
C27A C26A Sc3A 57.0(4) 6_565 . ?
C24A C26A Sc3A 93.8(4) 6_565 . ?
C23A C26A Sc3A 90.2(5) 6_565 . ?
Sc3A C26A Sc3A 22.69(12) 6_565 . ?
C23A C27A C24A 117.4(19) 6_565 6_565 ?
C23A C27A C26A 127.2(16) 6_565 . ?
C24A C27A C26A 107.0(11) 6_565 . ?
C23A C27A C22A 76.9(12) 6_565 6_565 ?
C24A C27A C22A 157.1(14) 6_565 6_565 ?
C26A C27A C22A 52.8(6) . 6_565 ?
C23A C27A C28A 111.8(15) 6_565 . ?
C24A C27A C28A 24.8(9) 6_565 . ?
C26A C27A C28A 120.3(7) . . ?
C22A C27A C28A 168.7(9) 6_565 . ?
C23A C27A C54A 41.6(12) 6_565 . ?
C24A C27A C54A 129.8(12) 6_565 . ?
C26A C27A C54A 120.4(7) . . ?
C22A C27A C54A 72.9(6) 6_565 . ?
C28A C27A C54A 108.4(7) . . ?
C23A C27A C25A 164.4(17) 6_565 6_565 ?
C24A C27A C25A 59.9(8) 6_565 6_565 ?
C26A C27A C25A 48.5(5) . 6_565 ?
C22A C27A C25A 101.3(9) 6_565 6_565 ?
C28A C27A C25A 72.3(6) . 6_565 ?
C54A C27A C25A 153.0(9) . 6_565 ?
C23A C27A C26A 128.3(15) 6_565 6_565 ?
C24A C27A C26A 108.6(10) 6_565 6_565 ?
C26A C27A C26A 5.2(3) . 6_565 ?
C22A C27A C26A 52.4(6) 6_565 6_565 ?
C28A C27A C26A 119.8(6) . 6_565 ?
C54A C27A C26A 117.3(6) . 6_565 ?
C25A C27A C26A 49.2(5) 6_565 6_565 ?
C23A C27A C19A 39.1(12) 6_565 6_565 ?
C24A C27A C19A 115.3(13) 6_565 6_565 ?
C26A C27A C19A 135.4(7) . 6_565 ?
C22A C27A C19A 87.1(6) 6_565 6_565 ?
C28A C27A C19A 95.4(7) . 6_565 ?
C54A C27A C19A 15.0(6) . 6_565 ?
C25A C27A C19A 156.3(9) 6_565 6_565 ?
C26A C27A C19A 132.0(7) 6_565 6_565 ?
C23A C27A Sc3A 108.7(14) 6_565 6_565 ?
C24A C27A Sc3A 108.5(11) 6_565 6_565 ?
C26A C27A Sc3A 80.7(6) . 6_565 ?
C22A C27A Sc3A 80.9(6) 6_565 6_565 ?
C28A C27A Sc3A 89.3(6) . 6_565 ?
C54A C27A Sc3A 67.2(6) . 6_565 ?
C25A C27A Sc3A 86.0(6) 6_565 6_565 ?
C26A C27A Sc3A 75.5(5) 6_565 6_565 ?
C19A C27A Sc3A 73.4(6) 6_565 6_565 ?
C23A C27A Sc3A 118.1(13) 6_565 . ?
C24A C27A Sc3A 112.3(11) 6_565 . ?
C26A C27A Sc3A 63.3(5) . . ?
C22A C27A Sc3A 70.8(5) 6_565 . ?
C28A C27A Sc3A 98.3(6) . . ?
C54A C27A Sc3A 78.4(6) . . ?
C25A C27A Sc3A 74.9(5) 6_565 . ?
C26A C27A Sc3A 58.1(4) 6_565 . ?
C19A C27A Sc3A 87.4(6) 6_565 . ?
Sc3A C27A Sc3A 17.38(13) 6_565 . ?
C24A C28A C66A 158(3) 6_565 6_565 ?
C24A C28A C29A 102.6(13) 6_565 . ?
C66A C28A C29A 77.4(13) 6_565 . ?
C24A C28A C48A 133.7(14) 6_565 . ?
C66A C28A C48A 51.9(13) 6_565 . ?
C29A C28A C48A 123.7(7) . . ?
C24A C28A C27A 34.2(12) 6_565 . ?
C66A C28A C27A 159.5(15) 6_565 . ?
C29A C28A C27A 121.3(7) . . ?
C48A C28A C27A 107.6(6) . . ?
C24A C28A C25A 45.3(11) 6_565 6_565 ?
C66A C28A C25A 140.7(15) 6_565 6_565 ?
C29A C28A C25A 63.3(5) . 6_565 ?
C48A C28A C25A 156.7(9) . 6_565 ?
C27A C28A C25A 58.5(5) . 6_565 ?
C24A C28A C23A 44.9(11) 6_565 6_565 ?
C66A C28A C23A 140.4(15) 6_565 6_565 ?
C29A C28A C23A 142.0(7) . 6_565 ?
C48A C28A C23A 90.6(7) . 6_565 ?
C27A C28A C23A 20.9(6) . 6_565 ?
C25A C28A C23A 78.8(6) 6_565 6_565 ?
C24A C28A C67A 143.9(17) 6_565 6_565 ?
C66A C28A C67A 43.2(10) 6_565 6_565 ?
C29A C28A C67A 113.5(8) . 6_565 ?
C48A C28A C67A 10.2(7) . 6_565 ?
C27A C28A C67A 116.6(8) . 6_565 ?
C25A C28A C67A 156.8(10) 6_565 6_565 ?
C23A C28A C67A 100.4(8) 6_565 6_565 ?
C24A C28A C65A 140.7(16) 6_565 6_565 ?
C66A C28A C65A 40.0(11) 6_565 6_565 ?
C29A C28A C65A 38.9(6) . 6_565 ?
C48A C28A C65A 85.5(7) . 6_565 ?
C27A C28A C65A 154.4(8) . 6_565 ?
C25A C28A C65A 101.1(7) 6_565 6_565 ?
C23A C28A C65A 169.1(9) 6_565 6_565 ?
C67A C28A C65A 75.3(7) 6_565 6_565 ?
C24A C28A Sc3A 83.9(14) 6_565 6_565 ?
C66A C28A Sc3A 117.7(16) 6_565 6_565 ?
C29A C28A Sc3A 98.5(7) . 6_565 ?
C48A C28A Sc3A 86.9(6) . 6_565 ?
C27A C28A Sc3A 55.4(5) . 6_565 ?
C25A C28A Sc3A 69.8(5) 6_565 6_565 ?
C23A C28A Sc3A 64.5(5) 6_565 6_565 ?
C67A C28A Sc3A 88.7(7) 6_565 6_565 ?
C65A C28A Sc3A 105.1(6) 6_565 6_565 ?
C65A C29A C31A 76.7(10) 6_565 6_565 ?
C65A C29A C28A 94.3(9) 6_565 . ?
C31A C29A C28A 156.5(9) 6_565 . ?
C65A C29A C66A 63.5(9) 6_565 6_565 ?
C31A C29A C66A 137.8(10) 6_565 6_565 ?
C28A C29A C66A 31.7(6) . 6_565 ?
C65A C29A C34A 22.3(8) 6_565 . ?
C31A C29A C34A 56.5(7) 6_565 . ?
C28A C29A C34A 116.6(6) . . ?
C66A C29A C34A 85.5(7) 6_565 . ?
C65A C29A C30A 133.3(9) 6_565 . ?
C31A C29A C30A 59.3(7) 6_565 . ?
C28A C29A C30A 119.6(7) . . ?
C66A C29A C30A 148.0(8) 6_565 . ?
C34A C29A C30A 115.6(6) . . ?
C65A C29A C24A 118.4(10) 6_565 6_565 ?
C31A C29A C24A 157.7(11) 6_565 6_565 ?
C28A C29A C24A 24.4(5) . 6_565 ?
C66A C29A C24A 55.0(6) 6_565 6_565 ?
C34A C29A C24A 140.5(7) . 6_565 ?
C30A C29A C24A 100.7(7) . 6_565 ?
C65A C29A C25A 160.1(10) 6_565 6_565 ?
C31A C29A C25A 110.9(10) 6_565 6_565 ?
C28A C29A C25A 71.4(6) . 6_565 ?
C66A C29A C25A 103.1(8) 6_565 6_565 ?
C34A C29A C25A 165.1(8) . 6_565 ?
C30A C29A C25A 51.7(5) . 6_565 ?
C24A C29A C25A 49.4(5) 6_565 6_565 ?
C65A C29A Sc2A 59.7(6) 6_565 . ?
C31A C29A Sc2A 54.5(5) 6_565 . ?
C28A C29A Sc2A 102.2(6) . . ?
C66A C29A Sc2A 91.6(6) 6_565 . ?
C34A C29A Sc2A 58.3(5) . . ?
C30A C29A Sc2A 81.1(4) . . ?
C24A C29A Sc2A 116.6(5) 6_565 . ?
C25A C29A Sc2A 108.8(5) 6_565 . ?
C31A C30A C31A 71.4(7) . 6_565 ?
C31A C30A C25A 161.4(6) . 6_565 ?
C31A C30A C25A 120.1(5) 6_565 6_565 ?
C31A C30A C25A 120.1(5) . . ?
C31A C30A C25A 161.4(6) 6_565 . ?
C25A C30A C25A 44.9(7) 6_565 . ?
C31A C30A C29A 49.7(5) . 6_565 ?
C31A C30A C29A 120.0(6) 6_565 6_565 ?
C25A C30A C29A 114.7(5) 6_565 6_565 ?
C25A C30A C29A 70.5(5) . 6_565 ?
C31A C30A C29A 120.0(6) . . ?
C31A C30A C29A 49.7(5) 6_565 . ?
C25A C30A C29A 70.5(5) 6_565 . ?
C25A C30A C29A 114.7(5) . . ?
C29A C30A C29A 158.8(7) 6_565 . ?
C29A C31A C34A 72.0(9) 6_565 6_565 ?
C29A C31A C30A 71.0(8) 6_565 . ?
C34A C31A C30A 142.5(9) 6_565 . ?
C29A C31A C32A 162.6(9) 6_565 . ?
C34A C31A C32A 94.6(8) 6_565 . ?
C30A C31A C32A 120.4(6) . . ?
C29A C31A C65A 49.6(7) 6_565 . ?
C34A C31A C65A 24.0(7) 6_565 . ?
C30A C31A C65A 118.7(7) . . ?
C32A C31A C65A 114.9(6) . . ?
C29A C31A C33A 129.4(11) 6_565 6_565 ?
C34A C31A C33A 57.6(7) 6_565 6_565 ?
C30A C31A C33A 157.5(8) . 6_565 ?
C32A C31A C33A 37.5(6) . 6_565 ?
C65A C31A C33A 79.9(7) . 6_565 ?
C29A C31A C31A 124.1(7) 6_565 6_565 ?
C34A C31A C31A 157.4(6) 6_565 6_565 ?
C30A C31A C31A 54.3(4) . 6_565 ?
C32A C31A C31A 66.1(4) . 6_565 ?
C65A C31A C31A 156.8(5) . 6_565 ?
C33A C31A C31A 103.5(5) 6_565 6_565 ?
C29A C31A C32A 166.4(9) 6_565 6_565 ?
C34A C31A C32A 108.0(9) 6_565 6_565 ?
C30A C31A C32A 106.6(7) . 6_565 ?
C32A C31A C32A 13.8(6) . 6_565 ?
C65A C31A C32A 127.1(7) . 6_565 ?
C33A C31A C32A 51.2(5) 6_565 6_565 ?
C31A C31A C32A 52.4(5) 6_565 6_565 ?
C29A C31A Sc2A 98.5(7) 6_565 6_565 ?
C34A C31A Sc2A 76.2(7) 6_565 6_565 ?
C30A C31A Sc2A 103.7(6) . 6_565 ?
C32A C31A Sc2A 66.9(5) . 6_565 ?
C65A C31A Sc2A 75.1(5) . 6_565 ?
C33A C31A Sc2A 67.2(6) 6_565 6_565 ?
C31A C31A Sc2A 85.1(2) 6_565 6_565 ?
C32A C31A Sc2A 68.8(4) 6_565 6_565 ?
C29A C31A Sc2A 112.9(7) 6_565 . ?
C34A C31A Sc2A 103.6(7) 6_565 . ?
C30A C31A Sc2A 85.7(5) . . ?
C32A C31A Sc2A 58.6(5) . . ?
C65A C31A Sc2A 102.5(6) . . ?
C33A C31A Sc2A 77.5(5) 6_565 . ?
C31A C31A Sc2A 57.0(2) 6_565 . ?
C32A C31A Sc2A 53.6(4) 6_565 . ?
Sc2A C31A Sc2A 28.04(13) 6_565 . ?
C32A C32A C33A 172.5(6) 6_565 6_565 ?
C32A C32A C33A 5.2(4) 6_565 . ?
C33A C32A C33A 167.3(10) 6_565 . ?
C32A C32A C62A 110.6(4) 6_565 . ?
C33A C32A C62A 62.2(7) 6_565 . ?
C33A C32A C62A 105.6(6) . . ?
C32A C32A C31A 113.9(4) 6_565 . ?
C33A C32A C31A 73.2(8) 6_565 . ?
C33A C32A C31A 118.7(7) . . ?
C62A C32A C31A 122.5(7) . . ?
C32A C32A C62A 54.7(5) 6_565 6_565 ?
C33A C32A C62A 118.1(8) 6_565 6_565 ?
C33A C32A C62A 49.7(6) . 6_565 ?
C62A C32A C62A 55.9(7) . 6_565 ?
C31A C32A C62A 145.8(9) . 6_565 ?
C32A C32A C31A 52.4(5) 6_565 6_565 ?
C33A C32A C31A 134.6(11) 6_565 6_565 ?
C33A C32A C31A 57.2(6) . 6_565 ?
C62A C32A C31A 143.5(9) . 6_565 ?
C31A C32A C31A 61.5(7) . 6_565 ?
C62A C32A C31A 99.2(9) 6_565 6_565 ?
C32A C32A C37A 131.3(4) 6_565 6_565 ?
C33A C32A C37A 41.4(6) 6_565 6_565 ?
C33A C32A C37A 126.3(7) . 6_565 ?
C62A C32A C37A 20.7(5) . 6_565 ?
C31A C32A C37A 106.9(7) . 6_565 ?
C62A C32A C37A 76.6(5) 6_565 6_565 ?
C31A C32A C37A 152.3(8) 6_565 6_565 ?
C32A C32A Sc2A 100.9(3) 6_565 6_565 ?
C33A C32A Sc2A 78.1(10) 6_565 6_565 ?
C33A C32A Sc2A 100.1(7) . 6_565 ?
C62A C32A Sc2A 63.6(6) . 6_565 ?
C31A C32A Sc2A 73.8(6) . 6_565 ?
C62A C32A Sc2A 77.3(5) 6_565 6_565 ?
C31A C32A Sc2A 86.6(6) 6_565 6_565 ?
C37A C32A Sc2A 65.8(5) 6_565 6_565 ?
C32A C32A Sc2A 68.0(2) 6_565 . ?
C33A C32A Sc2A 110.7(11) 6_565 . ?
C33A C32A Sc2A 67.4(6) . . ?
C62A C32A Sc2A 77.0(6) . . ?
C31A C32A Sc2A 87.7(6) . . ?
C62A C32A Sc2A 58.1(5) 6_565 . ?
C31A C32A Sc2A 66.8(5) 6_565 . ?
C37A C32A Sc2A 88.7(5) 6_565 . ?
Sc2A C32A Sc2A 32.86(18) 6_565 . ?
C32A C33A C62A 76.8(10) 6_565 6_565 ?
C32A C33A C34A 122.9(10) 6_565 . ?
C62A C33A C34A 132.3(11) 6_565 . ?
C32A C33A C37A 111.3(9) 6_565 . ?
C62A C33A C37A 34.5(7) 6_565 . ?
C34A C33A C37A 109.4(7) . . ?
C32A C33A C32A 2.4(2) 6_565 . ?
C62A C33A C32A 74.5(8) 6_565 . ?
C34A C33A C32A 124.9(8) . . ?
C37A C33A C32A 109.0(7) . . ?
C32A C33A C31A 69.4(8) 6_565 6_565 ?
C62A C33A C31A 130.1(10) 6_565 6_565 ?
C34A C33A C31A 54.5(6) . 6_565 ?
C37A C33A C31A 145.7(10) . 6_565 ?
C32A C33A C31A 71.6(6) . 6_565 ?
C32A C33A C63A 120.5(10) 6_565 6_565 ?
C62A C33A C63A 51.9(7) 6_565 6_565 ?
C34A C33A C63A 83.6(7) . 6_565 ?
C37A C33A C63A 28.0(6) . 6_565 ?
C32A C33A C63A 118.8(8) . 6_565 ?
C31A C33A C63A 120.2(9) 6_565 6_565 ?
C32A C33A C65A 116.3(9) 6_565 6_565 ?
C62A C33A C65A 127.1(10) 6_565 6_565 ?
C34A C33A C65A 9.0(8) . 6_565 ?
C37A C33A C65A 109.0(7) . 6_565 ?
C32A C33A C65A 118.2(7) . 6_565 ?
C31A C33A C65A 49.9(6) 6_565 6_565 ?
C63A C33A C65A 81.8(7) 6_565 6_565 ?
C32A C33A Sc2A 76.2(9) 6_565 . ?
C62A C33A Sc2A 64.2(7) 6_565 . ?
C34A C33A Sc2A 78.3(7) . . ?
C37A C33A Sc2A 74.3(6) . . ?
C32A C33A Sc2A 75.9(6) . . ?
C31A C33A Sc2A 72.7(5) 6_565 . ?
C63A C33A Sc2A 57.0(6) 6_565 . ?
C65A C33A Sc2A 69.9(5) 6_565 . ?
C32A C33A Sc2A 50.3(8) 6_565 6_565 ?
C62A C33A Sc2A 60.0(6) 6_565 6_565 ?
C34A C33A Sc2A 97.4(7) . 6_565 ?
C37A C33A Sc2A 84.2(6) . 6_565 ?
C32A C33A Sc2A 49.9(6) . 6_565 ?
C31A C33A Sc2A 70.2(5) 6_565 6_565 ?
C63A C33A Sc2A 76.5(6) 6_565 6_565 ?
C65A C33A Sc2A 88.4(5) 6_565 6_565 ?
Sc2A C33A Sc2A 26.10(14) . 6_565 ?
C65A C34A C31A 94.5(19) 6_565 6_565 ?
C65A C34A C33A 151(2) 6_565 . ?
C31A C34A C33A 67.9(6) 6_565 . ?
C65A C34A C35A 74.1(15) 6_565 . ?
C31A C34A C35A 145.6(13) 6_565 . ?
C33A C34A C35A 106.8(7) . . ?
C65A C34A C64A 78.4(18) 6_565 6_565 ?
C31A C34A C64A 135.9(14) 6_565 6_565 ?
C33A C34A C64A 97.6(9) . 6_565 ?
C35A C34A C64A 11.6(10) . 6_565 ?
C65A C34A C29A 46.6(15) 6_565 . ?
C31A C34A C29A 51.6(6) 6_565 . ?
C33A C34A C29A 119.3(7) . . ?
C35A C34A C29A 119.7(8) . . ?
C64A C34A C29A 121.2(11) 6_565 . ?
C65A C34A C66A 5.9(16) 6_565 6_565 ?
C31A C34A C66A 94.9(9) 6_565 6_565 ?
C33A C34A C66A 155.3(11) . 6_565 ?
C35A C34A C66A 77.0(6) . 6_565 ?
C64A C34A C66A 82.2(9) 6_565 6_565 ?
C29A C34A C66A 45.2(5) . 6_565 ?
C65A C34A Sc2A 86(2) 6_565 . ?
C31A C34A Sc2A 69.9(7) 6_565 . ?
C33A C34A Sc2A 66.1(6) . . ?
C35A C34A Sc2A 76.9(8) . . ?
C64A C34A Sc2A 66.2(9) 6_565 . ?
C29A C34A Sc2A 87.9(7) . . ?
C66A C34A Sc2A 91.8(7) 6_565 . ?
C64A C35A C65A 100(4) 6_565 6_565 ?
C64A C35A C36A 40(4) 6_565 . ?
C65A C35A C36A 130.2(11) 6_565 . ?
C64A C35A C34A 92(4) 6_565 . ?
C65A C35A C34A 25.6(7) 6_565 . ?
C36A C35A C34A 109.5(7) . . ?
C64A C35A C68A 89(4) 6_565 6_565 ?
C65A C35A C68A 112.9(13) 6_565 6_565 ?
C36A C35A C68A 97.9(9) . 6_565 ?
C34A C35A C68A 137.4(12) . 6_565 ?
C64A C35A C47A 103(5) 6_565 . ?
C65A C35A C47A 94.7(9) 6_565 . ?
C36A C35A C47A 119.1(8) . . ?
C34A C35A C47A 120.2(8) . . ?
C68A C35A C47A 21.3(8) 6_565 . ?
C64A C35A C63A 28(5) 6_565 6_565 ?
C65A C35A C63A 110.4(11) 6_565 6_565 ?
C36A C35A C63A 19.9(6) . 6_565 ?
C34A C35A C63A 91.5(8) . 6_565 ?
C68A C35A C63A 107.6(11) 6_565 6_565 ?
C47A C35A C63A 126.6(11) . 6_565 ?
C64A C35A Sc2A 31(4) 6_565 . ?
C65A C35A Sc2A 70.7(8) 6_565 . ?
C36A C35A Sc2A 69.8(8) . . ?
C34A C35A Sc2A 68.7(7) . . ?
C68A C35A Sc2A 92.5(10) 6_565 . ?
C47A C35A Sc2A 97.0(10) . . ?
C63A C35A Sc2A 53.2(7) 6_565 . ?
C63A C36A C64A 102(2) 6_565 6_565 ?
C63A C36A C35A 108.9(18) 6_565 . ?
C64A C36A C35A 9.1(14) 6_565 . ?
C63A C36A C37A 29.2(19) 6_565 . ?
C64A C36A C37A 103.5(10) 6_565 . ?
C35A C36A C37A 106.4(7) . . ?
C63A C36A C60A 75.2(18) 6_565 6_565 ?
C64A C36A C60A 134.8(17) 6_565 6_565 ?
C35A C36A C60A 141.3(12) . 6_565 ?
C37A C36A C60A 94.8(8) . 6_565 ?
C63A C36A C41A 97.9(19) 6_565 . ?
C64A C36A C41A 117.9(13) 6_565 . ?
C35A C36A C41A 121.3(8) . . ?
C37A C36A C41A 120.5(7) . . ?
C60A C36A C41A 26.0(7) 6_565 . ?
C63A C36A Sc2A 45(2) 6_565 . ?
C64A C36A Sc2A 67.5(10) 6_565 . ?
C35A C36A Sc2A 76.4(8) . . ?
C37A C36A Sc2A 67.9(6) . . ?
C60A C36A Sc2A 82.4(8) 6_565 . ?
C41A C36A Sc2A 89.8(8) . . ?
C62A C37A C63A 119.0(19) 6_565 6_565 ?
C62A C37A C38A 42.0(8) 6_565 . ?
C63A C37A C38A 104.6(12) 6_565 . ?
C62A C37A C33A 66.2(9) 6_565 . ?
C63A C37A C33A 108.0(12) 6_565 . ?
C38A C37A C33A 108.1(7) . . ?
C62A C37A C36A 136.5(16) 6_565 . ?
C63A C37A C36A 18.4(11) 6_565 . ?
C38A C37A C36A 120.8(8) . . ?
C33A C37A C36A 107.6(7) . . ?
C62A C37A C32A 39.0(8) 6_565 6_565 ?
C63A C37A C32A 117.5(13) 6_565 6_565 ?
C38A C37A C32A 80.9(6) . 6_565 ?
C33A C37A C32A 27.2(5) . 6_565 ?
C36A C37A C32A 125.2(8) . 6_565 ?
C62A C37A C38A 31.5(8) 6_565 6_565 ?
C63A C37A C38A 110.3(11) 6_565 6_565 ?
C38A C37A C38A 10.6(3) . 6_565 ?
C33A C37A C38A 97.6(6) . 6_565 ?
C36A C37A C38A 127.7(7) . 6_565 ?
C32A C37A C38A 70.4(5) 6_565 6_565 ?
C62A C37A Sc2A 61.4(12) 6_565 . ?
C63A C37A Sc2A 60.7(11) 6_565 . ?
C38A C37A Sc2A 75.0(6) . . ?
C33A C37A Sc2A 68.9(6) . . ?
C36A C37A Sc2A 76.0(7) . . ?
C32A C37A Sc2A 61.2(5) 6_565 . ?
C38A C37A Sc2A 71.6(4) 6_565 . ?
C38A C38A C62A 113.5(9) 6_565 6_565 ?
C38A C38A C62A 39.5(4) 6_565 . ?
C62A C38A C62A 74.1(11) 6_565 . ?
C38A C38A C37A 147.5(4) 6_565 . ?
C62A C38A C37A 34.1(9) 6_565 . ?
C62A C38A C37A 108.0(6) . . ?
C38A C38A C39A 87.9(4) 6_565 . ?
C62A C38A C39A 141.7(12) 6_565 . ?
C62A C38A C39A 120.4(7) . . ?
C37A C38A C39A 120.0(7) . . ?
C38A C38A C39A 67.3(6) 6_565 6_565 ?
C62A C38A C39A 149.9(12) 6_565 6_565 ?
C62A C38A C39A 101.2(7) . 6_565 ?
C37A C38A C39A 139.4(8) . 6_565 ?
C39A C38A C39A 20.7(7) . 6_565 ?
C38A C38A C63A 151.8(5) 6_565 6_565 ?
C62A C38A C63A 53.3(10) 6_565 6_565 ?
C62A C38A C63A 120.6(8) . 6_565 ?
C37A C38A C63A 29.2(6) . 6_565 ?
C39A C38A C63A 92.7(7) . 6_565 ?
C39A C38A C63A 110.7(8) 6_565 6_565 ?
C38A C38A C37A 21.9(3) 6_565 6_565 ?
C62A C38A C37A 91.7(9) 6_565 6_565 ?
C62A C38A C37A 17.7(4) . 6_565 ?
C37A C38A C37A 125.6(7) . 6_565 ?
C39A C38A C37A 107.1(6) . 6_565 ?
C39A C38A C37A 86.7(8) 6_565 6_565 ?
C63A C38A C37A 136.7(6) 6_565 6_565 ?
C38A C38A Sc2A 97.1(2) 6_565 . ?
C62A C38A Sc2A 58.4(9) 6_565 . ?
C62A C38A Sc2A 76.5(6) . . ?
C37A C38A Sc2A 69.4(5) . . ?
C39A C38A Sc2A 88.9(6) . . ?
C39A C38A Sc2A 91.5(5) 6_565 . ?
C63A C38A Sc2A 54.7(5) 6_565 . ?
C37A C38A Sc2A 86.8(4) 6_565 . ?
C38A C38A Sc2A 67.0(2) 6_565 6_565 ?
C62A C38A Sc2A 73.5(9) 6_565 6_565 ?
C62A C38A Sc2A 52.7(6) . 6_565 ?
C37A C38A Sc2A 95.7(6) . 6_565 ?
C39A C38A Sc2A 88.0(5) . 6_565 ?
C39A C38A Sc2A 80.2(5) 6_565 6_565 ?
C63A C38A Sc2A 84.8(6) 6_565 6_565 ?
C37A C38A Sc2A 58.6(4) 6_565 6_565 ?
Sc2A C38A Sc2A 30.11(14) . 6_565 ?
C39A C39A C61A 139.1(8) 6_565 6_565 ?
C39A C39A C61A 25.3(4) 6_565 . ?
C61A C39A C61A 113.8(11) 6_565 . ?
C39A C39A C40A 145.1(5) 6_565 . ?
C61A C39A C40A 12.8(12) 6_565 . ?
C61A C39A C40A 120.6(7) . . ?
C39A C39A C38A 92.1(4) 6_565 . ?
C61A C39A C38A 128.1(11) 6_565 . ?
C61A C39A C38A 117.0(6) . . ?
C40A C39A C38A 118.1(6) . . ?
C39A C39A C38A 67.3(6) 6_565 6_565 ?
C61A C39A C38A 152.4(13) 6_565 6_565 ?
C61A C39A C38A 92.3(7) . 6_565 ?
C40A C39A C38A 141.2(8) . 6_565 ?
C38A C39A C38A 24.8(7) . 6_565 ?
C39A C39A C60A 160.7(4) 6_565 6_565 ?
C61A C39A C60A 45.9(9) 6_565 6_565 ?
C61A C39A C60A 149.8(9) . 6_565 ?
C40A C39A C60A 35.0(5) . 6_565 ?
C38A C39A C60A 83.2(6) . 6_565 ?
C38A C39A C60A 106.6(7) 6_565 6_565 ?
C39A C39A C40A 25.1(4) 6_565 6_565 ?
C61A C39A C40A 114.9(8) 6_565 6_565 ?
C61A C39A C40A 7.9(9) . 6_565 ?
C40A C39A C40A 120.0(8) . 6_565 ?
C38A C39A C40A 113.9(6) . 6_565 ?
C38A C39A C40A 89.6(8) 6_565 6_565 ?
C60A C39A C40A 145.1(7) 6_565 6_565 ?
C39A C39A Sc2A 97.2(2) 6_565 . ?
C61A C39A Sc2A 98.6(12) 6_565 . ?
C61A C39A Sc2A 105.9(7) . . ?
C40A C39A Sc2A 86.1(7) . . ?
C38A C39A Sc2A 57.7(4) . . ?
C38A C39A Sc2A 63.8(4) 6_565 . ?
C60A C39A Sc2A 64.5(4) 6_565 . ?
C40A C39A Sc2A 98.0(6) 6_565 . ?
C39A C39A Sc2A 71.3(2) 6_565 6_565 ?
C61A C39A Sc2A 118.4(12) 6_565 6_565 ?
C61A C39A Sc2A 82.1(6) . 6_565 ?
C40A C39A Sc2A 107.2(8) . 6_565 ?
C38A C39A Sc2A 60.4(4) . 6_565 ?
C38A C39A Sc2A 53.8(4) 6_565 6_565 ?
C60A C39A Sc2A 90.2(5) 6_565 6_565 ?
C40A C39A Sc2A 74.6(5) 6_565 6_565 ?
Sc2A C39A Sc2A 25.87(11) . 6_565 ?
C61A C40A C60A 113.7(19) 6_565 6_565 ?
C61A C40A C57A 93.4(15) 6_565 6_565 ?
C60A C40A C57A 151.5(16) 6_565 6_565 ?
C61A C40A C39A 20.8(19) 6_565 . ?
C60A C40A C39A 97.2(11) 6_565 . ?
C57A C40A C39A 106.8(9) 6_565 . ?
C61A C40A C3A 103.8(14) 6_565 . ?
C60A C40A C3A 142.1(12) 6_565 . ?
C57A C40A C3A 11.0(7) 6_565 . ?
C39A C40A C3A 117.8(7) . . ?
C61A C40A C41A 137.4(16) 6_565 . ?
C60A C40A C41A 24.0(9) 6_565 . ?
C57A C40A C41A 127.7(9) 6_565 . ?
C39A C40A C41A 119.4(7) . . ?
C3A C40A C41A 118.1(7) . . ?
C61A C40A C59A 165(3) 6_565 6_565 ?
C60A C40A C59A 55.4(8) 6_565 6_565 ?
C57A C40A C59A 96.3(10) 6_565 6_565 ?
C39A C40A C59A 144.1(10) . 6_565 ?
C3A C40A C59A 86.7(7) . 6_565 ?
C41A C40A C59A 31.5(6) . 6_565 ?
C61A C40A C58A 142.2(17) 6_565 6_565 ?
C60A C40A C58A 101.1(11) 6_565 6_565 ?
C57A C40A C58A 50.5(6) 6_565 6_565 ?
C39A C40A C58A 146.6(10) . 6_565 ?
C3A C40A C58A 41.3(5) . 6_565 ?
C41A C40A C58A 77.3(6) . 6_565 ?
C59A C40A C58A 45.8(5) 6_565 6_565 ?
C61A C40A C39A 20(2) 6_565 6_565 ?
C60A C40A C39A 105.3(11) 6_565 6_565 ?
C57A C40A C39A 97.5(9) 6_565 6_565 ?
C39A C40A C39A 9.8(4) . 6_565 ?
C3A C40A C39A 108.5(6) . 6_565 ?
C41A C40A C39A 126.1(8) . 6_565 ?
C59A C40A C39A 146.2(10) 6_565 6_565 ?
C58A C40A C39A 137.4(8) 6_565 6_565 ?
C61A C40A Sc1A 101(2) 6_565 . ?
C60A C40A Sc1A 107.5(12) 6_565 . ?
C57A C40A Sc1A 56.4(8) 6_565 . ?
C39A C40A Sc1A 94.7(7) . . ?
C3A C40A Sc1A 58.5(7) . . ?
C41A C40A Sc1A 94.9(8) . . ?
C59A C40A Sc1A 75.4(7) 6_565 . ?
C58A C40A Sc1A 53.2(5) 6_565 . ?
C39A C40A Sc1A 87.0(6) 6_565 . ?
C60A C41A C59A 137(3) 6_565 6_565 ?
C60A C41A C42A 161(2) 6_565 . ?
C59A C41A C42A 27.4(11) 6_565 . ?
C60A C41A C36A 75.4(16) 6_565 . ?
C59A C41A C36A 143.3(15) 6_565 . ?
C42A C41A C36A 116.7(7) . . ?
C60A C41A C40A 44.7(16) 6_565 . ?
C59A C41A C40A 92.4(13) 6_565 . ?
C42A C41A C40A 119.0(7) . . ?
C36A C41A C40A 119.0(7) . . ?
C60A C41A C63A 56.9(16) 6_565 6_565 ?
C59A C41A C63A 151(2) 6_565 6_565 ?
C42A C41A C63A 130.7(10) . 6_565 ?
C36A C41A C63A 21.5(6) . 6_565 ?
C40A C41A C63A 98.4(8) . 6_565 ?
C60A C41A C61A 33.3(14) 6_565 6_565 ?
C59A C41A C61A 103.5(14) 6_565 6_565 ?
C42A C41A C61A 129.5(9) . 6_565 ?
C36A C41A C61A 107.4(7) . 6_565 ?
C40A C41A C61A 11.6(6) . 6_565 ?
C63A C41A C61A 87.0(8) 6_565 6_565 ?
C60A C41A C69A 155(3) 6_565 6_565 ?
C59A C41A C69A 46.2(12) 6_565 6_565 ?
C42A C41A C69A 21.4(7) . 6_565 ?
C36A C41A C69A 97.1(8) . 6_565 ?
C40A C41A C69A 130.8(10) . 6_565 ?
C63A C41A C69A 109.4(10) 6_565 6_565 ?
C61A C41A C69A 138.2(11) 6_565 6_565 ?
C60A C41A Sc2A 68(2) 6_565 . ?
C59A C41A Sc2A 110.7(16) 6_565 . ?
C42A C41A Sc2A 104.6(9) . . ?
C36A C41A Sc2A 58.6(6) . . ?
C40A C41A Sc2A 84.9(8) . . ?
C63A C41A Sc2A 44.8(7) 6_565 . ?
C61A C41A Sc2A 77.9(7) 6_565 . ?
C69A C41A Sc2A 87.3(7) 6_565 . ?
C59A C42A C69A 143(3) 6_565 6_565 ?
C59A C42A C43A 86.1(15) 6_565 . ?
C69A C42A C43A 104.7(19) 6_565 . ?
C59A C42A C41A 35.0(14) 6_565 . ?
C69A C42A C41A 118(2) 6_565 . ?
C43A C42A C41A 120.3(8) . . ?
C59A C42A C46A 148(2) 6_565 . ?
C69A C42A C46A 6.4(17) 6_565 . ?
C43A C42A C46A 107.3(7) . . ?
C41A C42A C46A 120.2(8) . . ?
C59A C42A C58A 44.2(13) 6_565 6_565 ?
C69A C42A C58A 135(2) 6_565 6_565 ?
C43A C42A C58A 41.9(6) . 6_565 ?
C41A C42A C58A 78.7(7) . 6_565 ?
C46A C42A C58A 140.2(10) . 6_565 ?
C59A C42A C68A 119.0(17) 6_565 6_565 ?
C69A C42A C68A 33.3(16) 6_565 6_565 ?
C43A C42A C68A 135.3(9) . 6_565 ?
C41A C42A C68A 87.3(7) . 6_565 ?
C46A C42A C68A 33.3(6) . 6_565 ?
C58A C42A C68A 144.7(10) 6_565 6_565 ?
C59A C42A C70A 132(2) 6_565 6_565 ?
C69A C42A C70A 46.4(17) 6_565 6_565 ?
C43A C42A C70A 58.3(6) . 6_565 ?
C41A C42A C70A 145.0(12) . 6_565 ?
C46A C42A C70A 49.1(6) . 6_565 ?
C58A C42A C70A 94.5(8) 6_565 6_565 ?
C68A C42A C70A 78.7(7) 6_565 6_565 ?
C58A C43A C9A 69.3(10) 6_565 6_565 ?
C58A C43A C44A 140.8(10) 6_565 . ?
C9A C43A C44A 77.5(7) 6_565 . ?
C58A C43A C42A 89.4(8) 6_565 . ?
C9A C43A C42A 148.5(10) 6_565 . ?
C44A C43A C42A 110.2(7) . . ?
C58A C43A C4A 31.8(6) 6_565 . ?
C9A C43A C4A 44.7(6) 6_565 . ?
C44A C43A C4A 122.1(7) . . ?
C42A C43A C4A 120.7(6) . . ?
C58A C43A C59A 60.5(9) 6_565 6_565 ?
C9A C43A C59A 125.0(10) 6_565 6_565 ?
C44A C43A C59A 132.7(9) . 6_565 ?
C42A C43A C59A 28.9(7) . 6_565 ?
C4A C43A C59A 91.9(8) . 6_565 ?
C58A C43A C10A 125.0(10) 6_565 6_565 ?
C9A C43A C10A 59.6(8) 6_565 6_565 ?
C44A C43A C10A 17.8(6) . 6_565 ?
C42A C43A C10A 125.0(9) . 6_565 ?
C4A C43A C10A 104.3(7) . 6_565 ?
C59A C43A C10A 141.3(11) 6_565 6_565 ?
C58A C43A C70A 143.7(10) 6_565 6_565 ?
C9A C43A C70A 105.4(9) 6_565 6_565 ?
C44A C43A C70A 32.5(7) . 6_565 ?
C42A C43A C70A 77.7(8) . 6_565 ?
C4A C43A C70A 148.2(8) . 6_565 ?
C59A C43A C70A 102.0(9) 6_565 6_565 ?
C10A C43A C70A 48.6(7) 6_565 6_565 ?
C58A C43A C69A 110.0(10) 6_565 6_565 ?
C9A C43A C69A 142.5(9) 6_565 6_565 ?
C44A C43A C69A 84.2(8) . 6_565 ?
C42A C43A C69A 26.0(7) . 6_565 ?
C4A C43A C69A 141.6(9) . 6_565 ?
C59A C43A C69A 52.0(9) 6_565 6_565 ?
C10A C43A C69A 99.2(10) 6_565 6_565 ?
C70A C43A C69A 51.7(8) 6_565 6_565 ?
C58A C43A Sc1A 58.7(6) 6_565 . ?
C9A C43A Sc1A 49.2(5) 6_565 . ?
C44A C43A Sc1A 83.9(7) . . ?
C42A C43A Sc1A 100.1(7) . . ?
C4A C43A Sc1A 62.7(5) . . ?
C59A C43A Sc1A 84.7(6) 6_565 . ?
C10A C43A Sc1A 72.7(7) 6_565 . ?
C70A C43A Sc1A 89.9(6) 6_565 . ?
C69A C43A Sc1A 96.9(6) 6_565 . ?
C10A C44A C70A 142(3) 6_565 6_565 ?
C10A C44A C43A 109(2) 6_565 . ?
C70A C44A C43A 94.7(14) 6_565 . ?
C10A C44A C45A 133(2) 6_565 . ?
C70A C44A C45A 13.6(13) 6_565 . ?
C43A C44A C45A 108.2(7) . . ?
C10A C44A C56A 11.7(19) 6_565 . ?
C70A C44A C56A 131.5(15) 6_565 . ?
C43A C44A C56A 119.5(8) . . ?
C45A C44A C56A 121.7(8) . . ?
C10A C44A C9A 59(2) 6_565 6_565 ?
C70A C44A C9A 135.1(17) 6_565 6_565 ?
C43A C44A C9A 50.2(6) . 6_565 ?
C45A C44A C9A 146.5(11) . 6_565 ?
C56A C44A C9A 69.5(7) . 6_565 ?
C10A C44A C11A 36.8(18) 6_565 6_565 ?
C70A C44A C11A 107.4(15) 6_565 6_565 ?
C43A C44A C11A 139.6(9) . 6_565 ?
C45A C44A C11A 96.7(7) . 6_565 ?
C56A C44A C11A 25.2(5) . 6_565 ?
C9A C44A C11A 92.0(8) 6_565 6_565 ?
C10A C44A C17A 109(2) 6_565 6_565 ?
C70A C44A C17A 36.6(10) 6_565 6_565 ?
C43A C44A C17A 129.4(9) . 6_565 ?
C45A C44A C17A 24.4(6) . 6_565 ?
C56A C44A C17A 97.5(7) . 6_565 ?
C9A C44A C17A 146.6(11) 6_565 6_565 ?
C11A C44A C17A 72.4(7) 6_565 6_565 ?
C10A C44A Sc1A 64(3) 6_565 . ?
C70A C44A Sc1A 100.5(15) 6_565 . ?
C43A C44A Sc1A 67.9(6) . . ?
C45A C44A Sc1A 106.4(9) . . ?
C56A C44A Sc1A 67.1(7) . . ?
C9A C44A Sc1A 45.3(5) 6_565 . ?
C11A C44A Sc1A 74.9(6) 6_565 . ?
C17A C44A Sc1A 101.4(8) 6_565 . ?
C70A C45A C17A 133(3) 6_565 6_565 ?
C70A C45A C46A 85(2) 6_565 . ?
C17A C45A C46A 130.2(19) 6_565 . ?
C70A C45A C50A 138(2) 6_565 . ?
C17A C45A C50A 5.7(12) 6_565 . ?
C46A C45A C50A 124.6(14) . . ?
C70A C45A C44A 22(2) 6_565 . ?
C17A C45A C44A 115.5(13) 6_565 . ?
C46A C45A C44A 106.9(7) . . ?
C50A C45A C44A 120.9(8) . . ?
C70A C45A C69A 64(2) 6_565 6_565 ?
C17A C45A C69A 144(2) 6_565 6_565 ?
C46A C45A C69A 21.5(7) . 6_565 ?
C50A C45A C69A 139.3(16) . 6_565 ?
C44A C45A C69A 85.7(8) . 6_565 ?
C70A C45A C10A 31.5(17) 6_565 6_565 ?
C17A C45A C10A 103.7(15) 6_565 6_565 ?
C46A C45A C10A 116.0(9) . 6_565 ?
C50A C45A C10A 109.0(8) . 6_565 ?
C44A C45A C10A 12.0(6) . 6_565 ?
C69A C45A C10A 94.5(10) 6_565 6_565 ?
C70A C45A C18A 152(4) 6_565 6_565 ?
C17A C45A C18A 43.9(11) 6_565 6_565 ?
C46A C45A C18A 86.9(10) . 6_565 ?
C50A C45A C18A 38.2(8) . 6_565 ?
C44A C45A C18A 152.1(11) . 6_565 ?
C69A C45A C18A 104.5(11) 6_565 6_565 ?
C10A C45A C18A 140.8(11) 6_565 6_565 ?
C69A C46A C68A 99(3) 6_565 6_565 ?
C69A C46A C47A 119(3) 6_565 . ?
C68A C46A C47A 20.4(10) 6_565 . ?
C69A C46A C45A 103(2) 6_565 . ?
C68A C46A C45A 138.3(18) 6_565 . ?
C47A C46A C45A 122.0(14) . . ?
C69A C46A C42A 8(2) 6_565 . ?
C68A C46A C42A 99.9(11) 6_565 . ?
C47A C46A C42A 120.0(8) . . ?
C45A C46A C42A 107.2(7) . . ?
C69A C46A C70A 81(2) 6_565 6_565 ?
C68A C46A C70A 148.2(18) 6_565 6_565 ?
C47A C46A C70A 139.3(16) . 6_565 ?
C45A C46A C70A 22.9(7) . 6_565 ?
C42A C46A C70A 84.4(8) . 6_565 ?
C69A C46A C67A 141(3) 6_565 6_565 ?
C68A C46A C67A 49.3(9) 6_565 6_565 ?
C47A C46A C67A 29.6(9) . 6_565 ?
C45A C46A C67A 93.2(11) . 6_565 ?
C42A C46A C67A 145.1(10) . 6_565 ?
C70A C46A C67A 113.2(12) 6_565 6_565 ?
C68A C47A C67A 147(4) 6_565 6_565 ?
C68A C47A C46A 45(2) 6_565 . ?
C67A C47A C46A 105.9(17) 6_565 . ?
C68A C47A C48A 151(4) 6_565 . ?
C67A C47A C48A 10.8(11) 6_565 . ?
C46A C47A C48A 114.8(14) . . ?
C68A C47A C35A 75(2) 6_565 . ?
C67A C47A C35A 130.3(14) 6_565 . ?
C46A C47A C35A 119.9(8) . . ?
C48A C47A C35A 119.6(8) . . ?
C68A C47A C64A 68(2) 6_565 6_565 ?
C67A C47A C64A 132.7(18) 6_565 6_565 ?
C46A C47A C64A 112.4(10) . 6_565 ?
C48A C47A C64A 121.9(10) . 6_565 ?
C35A C47A C64A 10.5(11) . 6_565 ?
C68A C47A C69A 27.7(19) 6_565 6_565 ?
C67A C47A C69A 120(2) 6_565 6_565 ?
C46A C47A C69A 18.2(8) . 6_565 ?
C48A C47A C69A 127.6(15) . 6_565 ?
C35A C47A C69A 102.2(10) . 6_565 ?
C64A C47A C69A 94.3(11) 6_565 6_565 ?
C68A C47A C66A 148(3) 6_565 6_565 ?
C67A C47A C66A 49.1(10) 6_565 6_565 ?
C46A C47A C66A 149.4(16) . 6_565 ?
C48A C47A C66A 38.6(5) . 6_565 ?
C35A C47A C66A 81.3(7) . 6_565 ?
C64A C47A C66A 85.0(9) 6_565 6_565 ?
C69A C47A C66A 152.0(15) 6_565 6_565 ?
C67A C48A C66A 110(3) 6_565 6_565 ?
C67A C48A C18A 86(2) 6_565 6_565 ?
C66A C48A C18A 156.0(17) 6_565 6_565 ?
C67A C48A C47A 21(2) 6_565 . ?
C66A C48A C47A 90.3(10) 6_565 . ?
C18A C48A C47A 103.1(12) 6_565 . ?
C67A C48A C28A 139(2) 6_565 . ?
C66A C48A C28A 31.5(9) 6_565 . ?
C18A C48A C28A 126.3(11) 6_565 . ?
C47A C48A C28A 118.3(8) . . ?
C67A C48A C49A 106(2) 6_565 . ?
C66A C48A C49A 139.7(12) 6_565 . ?
C18A C48A C49A 19.6(8) 6_565 . ?
C47A C48A C49A 122.2(11) . . ?
C28A C48A C49A 108.3(7) . . ?
C67A C48A C68A 20(2) 6_565 6_565 ?
C66A C48A C68A 94.3(12) 6_565 6_565 ?
C18A C48A C68A 97.1(11) 6_565 6_565 ?
C47A C48A C68A 7.6(10) . 6_565 ?
C28A C48A C68A 120.3(9) . 6_565 ?
C49A C48A C68A 115.7(10) . 6_565 ?
C67A C48A C24A 154(3) 6_565 6_565 ?
C66A C48A C24A 45.1(8) 6_565 6_565 ?
C18A C48A C24A 114.8(11) 6_565 6_565 ?
C47A C48A C24A 133.1(8) . 6_565 ?
C28A C48A C24A 14.8(5) . 6_565 ?
C49A C48A C24A 95.8(7) . 6_565 ?
C68A C48A C24A 134.8(9) 6_565 6_565 ?
C67A C48A Sc3A 117(3) 6_565 6_565 ?
C66A C48A Sc3A 84.1(10) 6_565 6_565 ?
C18A C48A Sc3A 72.6(9) 6_565 6_565 ?
C47A C48A Sc3A 110.3(10) . 6_565 ?
C28A C48A Sc3A 62.3(6) . 6_565 ?
C49A C48A Sc3A 63.6(6) . 6_565 ?
C68A C48A Sc3A 104.3(8) 6_565 6_565 ?
C24A C48A Sc3A 60.4(5) 6_565 6_565 ?
C18A C49A C19A 172(3) 6_565 6_565 ?
C18A C49A C50A 57(2) 6_565 . ?
C19A C49A C50A 115.2(12) 6_565 . ?
C18A C49A C54A 162(4) 6_565 . ?
C19A C49A C54A 18.1(12) 6_565 . ?
C50A C49A C54A 120.5(8) . . ?
C18A C49A C48A 67(2) 6_565 . ?
C19A C49A C48A 119.9(12) 6_565 . ?
C50A C49A C48A 121.6(11) . . ?
C54A C49A C48A 107.2(7) . . ?
C18A C49A C67A 51(2) 6_565 6_565 ?
C19A C49A C67A 136.7(15) 6_565 6_565 ?
C50A C49A C67A 105.3(11) . 6_565 ?
C54A C49A C67A 123.0(9) . 6_565 ?
C48A C49A C67A 16.9(7) . 6_565 ?
C18A C49A C17A 43(2) 6_565 6_565 ?
C19A C49A C17A 128.9(14) 6_565 6_565 ?
C50A C49A C17A 14.3(9) . 6_565 ?
C54A C49A C17A 131.8(9) . 6_565 ?
C48A C49A C17A 107.4(10) . 6_565 ?
C67A C49A C17A 91.0(9) 6_565 6_565 ?
C18A C49A Sc3A 110(4) 6_565 6_565 ?
C19A C49A Sc3A 68.8(13) 6_565 6_565 ?
C50A C49A Sc3A 97.9(8) . 6_565 ?
C54A C49A Sc3A 52.3(5) . 6_565 ?
C48A C49A Sc3A 85.2(7) . 6_565 ?
C67A C49A Sc3A 91.8(8) 6_565 6_565 ?
C17A C49A Sc3A 98.8(9) 6_565 6_565 ?
C17A C50A C18A 104(3) 6_565 6_565 ?
C17A C50A C16A 89(2) 6_565 6_565 ?
C18A C50A C16A 153(2) 6_565 6_565 ?
C17A C50A C49A 124(3) 6_565 . ?
C18A C50A C49A 20.4(9) 6_565 . ?
C16A C50A C49A 137.7(11) 6_565 . ?
C17A C50A C45A 10(2) 6_565 . ?
C18A C50A C45A 94.1(14) 6_565 . ?
C16A C50A C45A 98.1(9) 6_565 . ?
C49A C50A C45A 114.1(13) . . ?
C17A C50A C51A 108(2) 6_565 . ?
C18A C50A C51A 138.0(13) 6_565 . ?
C16A C50A C51A 19.7(7) 6_565 . ?
C49A C50A C51A 119.5(8) . . ?
C45A C50A C51A 117.3(7) . . ?
C17A C50A C70A 8(3) 6_565 6_565 ?
C18A C50A C70A 102.7(15) 6_565 6_565 ?
C16A C50A C70A 86.9(10) 6_565 6_565 ?
C49A C50A C70A 121.8(13) . 6_565 ?
C45A C50A C70A 11.9(7) . 6_565 ?
C51A C50A C70A 105.7(8) . 6_565 ?
C17A C50A C19A 149(4) 6_565 6_565 ?
C18A C50A C19A 46.3(8) 6_565 6_565 ?
C16A C50A C19A 114.2(11) 6_565 6_565 ?
C49A C50A C19A 26.0(6) . 6_565 ?
C45A C50A C19A 139.1(13) . 6_565 ?
C51A C50A C19A 94.9(7) . 6_565 ?
C70A C50A C19A 144.5(13) 6_565 6_565 ?
C16A C51A C15A 162(5) 6_565 6_565 ?
C16A C51A C52A 160(4) 6_565 . ?
C15A C51A C52A 2.3(15) 6_565 . ?
C16A C51A C55A 63.2(18) 6_565 . ?
C15A C51A C55A 110.1(13) 6_565 . ?
C52A C51A C55A 108.2(7) . . ?
C16A C51A C50A 59.9(19) 6_565 . ?
C15A C51A C50A 119.5(13) 6_565 . ?
C52A C51A C50A 120.4(8) . . ?
C55A C51A C50A 121.6(8) . . ?
C16A C51A C17A 43.8(18) 6_565 6_565 ?
C15A C51A C17A 133.1(17) 6_565 6_565 ?
C52A C51A C17A 133.5(10) . 6_565 ?
C55A C51A C17A 105.3(8) . 6_565 ?
C50A C51A C17A 16.4(7) . 6_565 ?
C16A C51A C11A 38.8(16) 6_565 6_565 ?
C15A C51A C11A 131.4(16) 6_565 6_565 ?
C52A C51A C11A 129.3(9) . 6_565 ?
C55A C51A C11A 24.9(6) . 6_565 ?
C50A C51A C11A 96.8(8) . 6_565 ?
C17A C51A C11A 80.4(8) 6_565 6_565 ?
C16A C51A C20A 141(3) 6_565 6_565 ?
C15A C51A C20A 37.7(9) 6_565 6_565 ?
C52A C51A C20A 39.1(6) . 6_565 ?
C55A C51A C20A 145.2(8) . 6_565 ?
C50A C51A C20A 82.9(7) . 6_565 ?
C17A C51A C20A 98.1(8) 6_565 6_565 ?
C11A C51A C20A 155.7(11) 6_565 6_565 ?
C15A C52A C20A 96(3) 6_565 6_565 ?
C15A C52A C51A 5(3) 6_565 . ?
C20A C52A C51A 99.7(9) 6_565 . ?
C15A C52A C14A 112(3) 6_565 . ?
C20A C52A C14A 147.9(11) 6_565 . ?
C51A C52A C14A 107.6(7) . . ?
C15A C52A C53A 119(3) 6_565 . ?
C20A C52A C53A 24.9(7) 6_565 . ?
C51A C52A C53A 121.3(7) . . ?
C14A C52A C53A 123.1(7) . . ?
C15A C52A C16A 10(3) 6_565 6_565 ?
C20A C52A C16A 100.9(10) 6_565 6_565 ?
C51A C52A C16A 5.6(10) . 6_565 ?
C14A C52A C16A 104.7(8) . 6_565 ?
C53A C52A C16A 121.2(8) . 6_565 ?
C15A C52A Sc3A 97(4) 6_565 6_565 ?
C20A C52A Sc3A 59.0(10) 6_565 6_565 ?
C51A C52A Sc3A 95.4(9) . 6_565 ?
C14A C52A Sc3A 101.1(9) . 6_565 ?
C53A C52A Sc3A 50.4(6) . 6_565 ?
C16A C52A Sc3A 91.3(9) 6_565 6_565 ?
C20A C53A C21A 161(2) 6_565 6_565 ?
C20A C53A C54A 67.5(14) 6_565 . ?
C21A C53A C54A 103.6(11) 6_565 . ?
C20A C53A C21A 174.0(19) 6_565 . ?
C21A C53A C21A 21.2(9) 6_565 . ?
C54A C53A C21A 118.4(7) . . ?
C20A C53A C52A 59.0(13) 6_565 . ?
C21A C53A C52A 136.4(11) 6_565 . ?
C54A C53A C52A 117.6(7) . . ?
C21A C53A C52A 116.5(6) . . ?
C20A C53A C15A 48.2(12) 6_565 6_565 ?
C21A C53A C15A 148.3(14) 6_565 6_565 ?
C54A C53A C15A 105.3(8) . 6_565 ?
C21A C53A C15A 127.8(8) . 6_565 ?
C52A C53A C15A 12.4(6) . 6_565 ?
C20A C53A C19A 48.7(13) 6_565 6_565 ?
C21A C53A C19A 121.6(11) 6_565 6_565 ?
C54A C53A C19A 18.8(5) . 6_565 ?
C21A C53A C19A 137.2(8) . 6_565 ?
C52A C53A C19A 101.0(7) . 6_565 ?
C15A C53A C19A 88.7(8) 6_565 6_565 ?
C20A C53A C22A 124.8(15) 6_565 6_565 ?
C21A C53A C22A 43.7(8) 6_565 6_565 ?
C54A C53A C22A 59.8(6) . 6_565 ?
C21A C53A C22A 60.5(6) . 6_565 ?
C52A C53A C22A 166.5(10) . 6_565 ?
C15A C53A C22A 160.7(11) 6_565 6_565 ?
C19A C53A C22A 78.1(6) 6_565 6_565 ?
C20A C53A C53A 152.9(13) 6_565 6_565 ?
C21A C53A C53A 44.7(10) 6_565 6_565 ?
C54A C53A C53A 131.8(5) . 6_565 ?
C21A C53A C53A 23.5(5) . 6_565 ?
C52A C53A C53A 94.0(4) . 6_565 ?
C15A C53A C53A 104.7(6) 6_565 6_565 ?
C19A C53A C53A 148.1(6) 6_565 6_565 ?
C22A C53A C53A 80.8(5) 6_565 6_565 ?
C20A C53A Sc3A 103(2) 6_565 6_565 ?
C21A C53A Sc3A 87.1(11) 6_565 6_565 ?
C54A C53A Sc3A 65.7(7) . 6_565 ?
C21A C53A Sc3A 81.2(6) . 6_565 ?
C52A C53A Sc3A 96.5(8) . 6_565 ?
C15A C53A Sc3A 93.0(9) 6_565 6_565 ?
C19A C53A Sc3A 74.6(7) 6_565 6_565 ?
C22A C53A Sc3A 70.2(4) 6_565 6_565 ?
C53A C53A Sc3A 76.0(3) 6_565 6_565 ?
C20A C53A Sc3A 121(2) 6_565 . ?
C21A C53A Sc3A 72.2(11) 6_565 . ?
C54A C53A Sc3A 84.2(7) . . ?
C21A C53A Sc3A 62.1(6) . . ?
C52A C53A Sc3A 97.0(7) . . ?
C15A C53A Sc3A 97.9(8) 6_565 . ?
C19A C53A Sc3A 95.1(7) 6_565 . ?
C22A C53A Sc3A 69.8(4) 6_565 . ?
C53A C53A Sc3A 55.0(3) 6_565 . ?
Sc3A C53A Sc3A 20.96(15) 6_565 . ?
C19A C54A C23A 115(2) 6_565 6_565 ?
C19A C54A C20A 86.0(15) 6_565 6_565 ?
C23A C54A C20A 152.3(16) 6_565 6_565 ?
C19A C54A C53A 112.0(17) 6_565 . ?
C23A C54A C53A 129.8(11) 6_565 . ?
C20A C54A C53A 26.0(7) 6_565 . ?
C19A C54A C49A 29(2) 6_565 . ?
C23A C54A C49A 109.1(11) 6_565 . ?
C20A C54A C49A 98.1(8) 6_565 . ?
C53A C54A C49A 120.5(7) . . ?
C19A C54A C27A 127.1(18) 6_565 . ?
C23A C54A C27A 26.7(8) 6_565 . ?
C20A C54A C27A 145.8(9) 6_565 . ?
C53A C54A C27A 120.1(7) . . ?
C49A C54A C27A 108.0(7) . . ?
C19A C54A C22A 165(2) 6_565 6_565 ?
C23A C54A C22A 56.7(8) 6_565 6_565 ?
C20A C54A C22A 98.3(10) 6_565 6_565 ?
C53A C54A C22A 73.3(6) . 6_565 ?
C49A C54A C22A 159.7(8) . 6_565 ?
C27A C54A C22A 52.5(5) . 6_565 ?
C19A C54A C21A 137.2(18) 6_565 6_565 ?
C23A C54A C21A 103.5(11) 6_565 6_565 ?
C20A C54A C21A 51.8(7) 6_565 6_565 ?
C53A C54A C21A 26.4(4) . 6_565 ?
C49A C54A C21A 145.3(7) . 6_565 ?
C27A C54A C21A 95.7(6) . 6_565 ?
C22A C54A C21A 46.9(5) 6_565 6_565 ?
C19A C54A C18A 33.5(18) 6_565 6_565 ?
C23A C54A C18A 109.7(13) 6_565 6_565 ?
C20A C54A C18A 97.7(8) 6_565 6_565 ?
C53A C54A C18A 119.0(7) . 6_565 ?
C49A C54A C18A 4.6(10) . 6_565 ?
C27A C54A C18A 106.4(8) . 6_565 ?
C22A C54A C18A 156.9(10) 6_565 6_565 ?
C21A C54A C18A 142.8(9) 6_565 6_565 ?
C19A C54A Sc3A 119(2) 6_565 6_565 ?
C23A C54A Sc3A 97.6(10) 6_565 6_565 ?
C20A C54A Sc3A 86.3(8) 6_565 6_565 ?
C53A C54A Sc3A 73.5(7) . 6_565 ?
C49A C54A Sc3A 92.8(7) . 6_565 ?
C27A C54A Sc3A 70.9(6) . 6_565 ?
C22A C54A Sc3A 76.3(5) 6_565 6_565 ?
C21A C54A Sc3A 71.0(5) 6_565 6_565 ?
C18A C54A Sc3A 88.2(8) 6_565 6_565 ?
C19A C54A Sc3A 130(2) 6_565 . ?
C23A C54A Sc3A 96.0(9) 6_565 . ?
C20A C54A Sc3A 81.5(8) 6_565 . ?
C53A C54A Sc3A 64.5(6) . . ?
C49A C54A Sc3A 105.6(7) . . ?
C27A C54A Sc3A 70.5(6) . . ?
C22A C54A Sc3A 65.2(5) 6_565 . ?
C21A C54A Sc3A 58.6(5) 6_565 . ?
C18A C54A Sc3A 101.0(8) 6_565 . ?
Sc3A C54A Sc3A 13.15(12) 6_565 . ?
C11A C55A C16A 84.2(15) 6_565 6_565 ?
C11A C55A C12A 83.6(13) 6_565 6_565 ?
C16A C55A C12A 152.9(16) 6_565 6_565 ?
C11A C55A C51A 106.1(13) 6_565 . ?
C16A C55A C51A 22.2(8) 6_565 . ?
C12A C55A C51A 151.2(11) 6_565 . ?
C11A C55A C13A 133.7(15) 6_565 . ?
C16A C55A C13A 127.8(11) 6_565 . ?
C12A C55A C13A 52.3(7) 6_565 . ?
C51A C55A C13A 107.7(7) . . ?
C11A C55A C56A 15.3(11) 6_565 . ?
C16A C55A C56A 99.3(9) 6_565 . ?
C12A C55A C56A 68.9(7) 6_565 . ?
C51A C55A C56A 121.1(7) . . ?
C13A C55A C56A 120.4(7) . . ?
C11A C55A C15A 129.5(16) 6_565 6_565 ?
C16A C55A C15A 48.7(7) 6_565 6_565 ?
C12A C55A C15A 128.7(11) 6_565 6_565 ?
C51A C55A C15A 27.2(6) . 6_565 ?
C13A C55A C15A 80.5(7) . 6_565 ?
C56A C55A C15A 142.5(10) . 6_565 ?
C11A C55A C13A 129.6(14) 6_565 6_565 ?
C16A C55A C13A 127.4(10) 6_565 6_565 ?
C12A C55A C13A 49.7(7) 6_565 6_565 ?
C51A C55A C13A 108.4(6) . 6_565 ?
C13A C55A C13A 5.1(3) . 6_565 ?
C56A C55A C13A 116.8(7) . 6_565 ?
C15A C55A C13A 81.5(6) 6_565 6_565 ?
C11A C56A C10A 109(2) 6_565 6_565 ?
C11A C56A C6A 132.5(15) 6_565 . ?
C10A C56A C6A 112.0(13) 6_565 . ?
C11A C56A C44A 102.5(14) 6_565 . ?
C10A C56A C44A 6.4(10) 6_565 . ?
C6A C56A C44A 118.1(7) . . ?
C11A C56A C55A 15.0(12) 6_565 . ?
C10A C56A C55A 123.6(13) 6_565 . ?
C6A C56A C55A 118.2(7) . . ?
C44A C56A C55A 117.2(7) . . ?
C11A C56A C12A 64.9(12) 6_565 6_565 ?
C10A C56A C12A 155(2) 6_565 6_565 ?
C6A C56A C12A 67.7(6) . 6_565 ?
C44A C56A C12A 152.7(12) . 6_565 ?
C55A C56A C12A 50.4(5) . 6_565 ?
C11A C56A C9A 149.8(19) 6_565 6_565 ?
C10A C56A C9A 55.5(12) 6_565 6_565 ?
C6A C56A C9A 56.6(6) . 6_565 ?
C44A C56A C9A 61.5(6) . 6_565 ?
C55A C56A C9A 152.8(12) . 6_565 ?
C12A C56A C9A 116.6(9) 6_565 6_565 ?
C11A C56A Sc1A 104.6(16) 6_565 . ?
C10A C56A Sc1A 80.8(17) 6_565 . ?
C6A C56A Sc1A 60.4(6) . . ?
C44A C56A Sc1A 82.9(8) . . ?
C55A C56A Sc1A 102.2(8) . . ?
C12A C56A Sc1A 77.6(6) 6_565 . ?
C9A C56A Sc1A 50.9(5) 6_565 . ?
C3A C57A C40A 116(4) 6_565 6_565 ?
C3A C57A C2A 101(3) 6_565 . ?
C40A C57A C2A 142.0(11) 6_565 . ?
C3A C57A C58A 42(4) 6_565 . ?
C40A C57A C58A 85.7(9) 6_565 . ?
C2A C57A C58A 121.2(7) . . ?
C3A C57A C61A 138(3) 6_565 . ?
C40A C57A C61A 23.4(8) 6_565 . ?
C2A C57A C61A 120.6(7) . . ?
C58A C57A C61A 108.6(6) . . ?
C3A C57A C4A 25(4) 6_565 6_565 ?
C40A C57A C4A 112.4(11) 6_565 6_565 ?
C2A C57A C4A 98.2(7) . 6_565 ?
C58A C57A C4A 26.9(5) . 6_565 ?
C61A C57A C4A 135.5(8) . 6_565 ?
C3A C57A Sc1A 94(4) 6_565 6_565 ?
C40A C57A Sc1A 96.9(10) 6_565 6_565 ?
C2A C57A Sc1A 72.8(5) . 6_565 ?
C58A C57A Sc1A 68.2(5) . 6_565 ?
C61A C57A Sc1A 100.5(7) . 6_565 ?
C4A C57A Sc1A 69.2(5) 6_565 6_565 ?
C3A C57A Sc1A 105(4) 6_565 . ?
C40A C57A Sc1A 100.5(10) 6_565 . ?
C2A C57A Sc1A 61.2(5) . . ?
C58A C57A Sc1A 83.0(6) . . ?
C61A C57A Sc1A 98.0(7) . . ?
C4A C57A Sc1A 81.4(6) 6_565 . ?
Sc1A C57A Sc1A 14.91(10) 6_565 . ?
C4A C58A C3A 86.7(14) 6_565 6_565 ?
C4A C58A C43A 89.5(14) 6_565 6_565 ?
C3A C58A C43A 174.1(14) 6_565 6_565 ?
C4A C58A C59A 157.2(14) 6_565 . ?
C3A C58A C59A 114.4(9) 6_565 . ?
C43A C58A C59A 70.1(9) 6_565 . ?
C4A C58A C57A 94.4(12) 6_565 . ?
C3A C58A C57A 9.7(9) 6_565 . ?
C43A C58A C57A 169.0(11) 6_565 . ?
C59A C58A C57A 107.5(7) . . ?
C4A C58A C9A 44.7(11) 6_565 . ?
C3A C58A C9A 116.1(9) 6_565 . ?
C43A C58A C9A 58.3(9) 6_565 . ?
C59A C58A C9A 123.8(10) . . ?
C57A C58A C9A 118.8(7) . . ?
C4A C58A C42A 137.3(15) 6_565 6_565 ?
C3A C58A C42A 135.7(11) 6_565 6_565 ?
C43A C58A C42A 48.7(7) 6_565 6_565 ?
C59A C58A C42A 21.4(7) . 6_565 ?
C57A C58A C42A 128.3(8) . 6_565 ?
C9A C58A C42A 103.8(9) . 6_565 ?
C4A C58A C40A 137.9(15) 6_565 6_565 ?
C3A C58A C40A 51.3(7) 6_565 6_565 ?
C43A C58A C40A 132.4(9) 6_565 6_565 ?
C59A C58A C40A 63.6(6) . 6_565 ?
C57A C58A C40A 43.8(5) . 6_565 ?
C9A C58A C40A 148.5(8) . 6_565 ?
C42A C58A C40A 84.6(6) 6_565 6_565 ?
C4A C58A Sc1A 87.9(13) 6_565 6_565 ?
C3A C58A Sc1A 81.5(9) 6_565 6_565 ?
C43A C58A Sc1A 93.9(8) 6_565 6_565 ?
C59A C58A Sc1A 103.2(7) . 6_565 ?
C57A C58A Sc1A 76.0(6) . 6_565 ?
C9A C58A Sc1A 62.5(5) . 6_565 ?
C42A C58A Sc1A 101.7(7) 6_565 6_565 ?
C40A C58A Sc1A 86.2(6) 6_565 6_565 ?
C42A C59A C41A 118(2) 6_565 6_565 ?
C42A C59A C58A 114.4(18) 6_565 . ?
C41A C59A C58A 126.7(14) 6_565 . ?
C42A C59A C60A 134.0(17) 6_565 . ?
C41A C59A C60A 17.5(11) 6_565 . ?
C58A C59A C60A 109.2(7) . . ?
C42A C59A C69A 19.3(17) 6_565 . ?
C41A C59A C69A 106.7(16) 6_565 . ?
C58A C59A C69A 119.0(13) . . ?
C60A C59A C69A 120.5(11) . . ?
C42A C59A C43A 65.0(15) 6_565 6_565 ?
C41A C59A C43A 169.3(18) 6_565 6_565 ?
C58A C59A C43A 49.3(8) . 6_565 ?
C60A C59A C43A 155.3(9) . 6_565 ?
C69A C59A C43A 72.6(11) . 6_565 ?
C42A C59A C40A 167(2) 6_565 6_565 ?
C41A C59A C40A 56.1(11) 6_565 6_565 ?
C58A C59A C40A 70.6(6) . 6_565 ?
C60A C59A C40A 38.7(5) . 6_565 ?
C69A C59A C40A 148.0(10) . 6_565 ?
C43A C59A C40A 118.9(10) 6_565 6_565 ?
C41A C60A C40A 111(2) 6_565 6_565 ?
C41A C60A C63A 100.3(19) 6_565 . ?
C40A C60A C63A 140.1(12) 6_565 . ?
C41A C60A C36A 78.6(17) 6_565 6_565 ?
C40A C60A C36A 164.4(15) 6_565 6_565 ?
C63A C60A C36A 24.9(7) . 6_565 ?
C41A C60A C61A 132.5(19) 6_565 . ?
C40A C60A C61A 21.5(9) 6_565 . ?
C63A C60A C61A 120.9(8) . . ?
C36A C60A C61A 145.6(9) 6_565 . ?
C41A C60A C59A 25.7(17) 6_565 . ?
C40A C60A C59A 85.9(10) 6_565 . ?
C63A C60A C59A 121.2(10) . . ?
C36A C60A C59A 102.6(10) 6_565 . ?
C61A C60A C59A 106.9(7) . . ?
C41A C60A C39A 152(2) 6_565 6_565 ?
C40A C60A C39A 47.8(8) 6_565 6_565 ?
C63A C60A C39A 93.7(6) . 6_565 ?
C36A C60A C39A 118.4(9) 6_565 6_565 ?
C61A C60A C39A 27.2(5) . 6_565 ?
C59A C60A C39A 128.3(7) . 6_565 ?
C41A C60A Sc2A 99(2) 6_565 6_565 ?
C40A C60A Sc2A 101.3(11) 6_565 6_565 ?
C63A C60A Sc2A 48.7(6) . 6_565 ?
C36A C60A Sc2A 64.4(7) 6_565 6_565 ?
C61A C60A Sc2A 92.7(6) . 6_565 ?
C59A C60A Sc2A 100.9(7) . 6_565 ?
C39A C60A Sc2A 73.1(4) 6_565 6_565 ?
C40A C61A C39A 146(3) 6_565 6_565 ?
C40A C61A C39A 152(3) 6_565 . ?
C39A C61A C39A 15.5(7) 6_565 . ?
C40A C61A C60A 44.8(13) 6_565 . ?
C39A C61A C60A 106.8(11) 6_565 . ?
C39A C61A C60A 120.5(7) . . ?
C40A C61A C57A 63.2(13) 6_565 . ?
C39A C61A C57A 134.6(11) 6_565 . ?
C39A C61A C57A 119.5(8) . . ?
C60A C61A C57A 107.5(6) . . ?
C40A C61A C3A 56.8(13) 6_565 6_565 ?
C39A C61A C3A 141.5(13) 6_565 6_565 ?
C39A C61A C3A 126.5(9) . 6_565 ?
C60A C61A C3A 101.5(7) . 6_565 ?
C57A C61A C3A 7.0(6) . 6_565 ?
C40A C61A C41A 31.0(12) 6_565 6_565 ?
C39A C61A C41A 118.6(12) 6_565 6_565 ?
C39A C61A C41A 130.7(9) . 6_565 ?
C60A C61A C41A 14.2(6) . 6_565 ?
C57A C61A C41A 93.4(7) . 6_565 ?
C3A C61A C41A 87.4(8) 6_565 6_565 ?
C40A C61A C61A 147(2) 6_565 6_565 ?
C39A C61A C61A 40.9(8) 6_565 6_565 ?
C39A C61A C61A 25.3(4) . 6_565 ?
C60A C61A C61A 140.9(6) . 6_565 ?
C57A C61A C61A 94.6(5) . 6_565 ?
C3A C61A C61A 101.7(6) 6_565 6_565 ?
C41A C61A C61A 145.8(7) 6_565 6_565 ?
C37A C62A C38A 104.0(13) 6_565 6_565 ?
C37A C62A C33A 79.3(11) 6_565 6_565 ?
C38A C62A C33A 175.9(14) 6_565 6_565 ?
C37A C62A C38A 130.9(11) 6_565 . ?
C38A C62A C38A 27.0(9) 6_565 . ?
C33A C62A C38A 149.8(9) 6_565 . ?
C37A C62A C32A 120.3(11) 6_565 . ?
C38A C62A C32A 135.6(11) 6_565 . ?
C33A C62A C32A 41.1(7) 6_565 . ?
C38A C62A C32A 108.8(7) . . ?
C37A C62A C62A 169.8(10) 6_565 6_565 ?
C38A C62A C62A 66.5(9) 6_565 6_565 ?
C33A C62A C62A 110.4(7) 6_565 6_565 ?
C38A C62A C62A 39.5(4) . 6_565 ?
C32A C62A C62A 69.4(4) . 6_565 ?
C37A C62A C63A 33.1(12) 6_565 . ?
C38A C62A C63A 96.0(11) 6_565 . ?
C33A C62A C63A 85.5(8) 6_565 . ?
C38A C62A C63A 119.2(7) . . ?
C32A C62A C63A 119.7(7) . . ?
C62A C62A C63A 147.0(6) 6_565 . ?
C37A C62A C32A 135.0(12) 6_565 6_565 ?
C38A C62A C32A 121.0(13) 6_565 6_565 ?
C33A C62A C32A 55.8(5) 6_565 6_565 ?
C38A C62A C32A 94.1(7) . 6_565 ?
C32A C62A C32A 14.7(6) . 6_565 ?
C62A C62A C32A 54.7(5) 6_565 6_565 ?
C63A C62A C32A 131.3(8) . 6_565 ?
C37A C62A Sc2A 97.8(14) 6_565 6_565 ?
C38A C62A Sc2A 97.3(10) 6_565 6_565 ?
C33A C62A Sc2A 79.8(7) 6_565 6_565 ?
C38A C62A Sc2A 93.7(7) . 6_565 ?
C32A C62A Sc2A 76.3(6) . 6_565 ?
C62A C62A Sc2A 87.2(3) 6_565 6_565 ?
C63A C62A Sc2A 66.7(7) . 6_565 ?
C32A C62A Sc2A 77.3(5) 6_565 6_565 ?
C37A C62A Sc2A 128.9(15) 6_565 . ?
C38A C62A Sc2A 84.0(9) 6_565 . ?
C33A C62A Sc2A 92.1(7) 6_565 . ?
C38A C62A Sc2A 69.4(6) . . ?
C32A C62A Sc2A 67.6(6) . . ?
C62A C62A Sc2A 55.6(3) 6_565 . ?
C63A C62A Sc2A 96.5(8) . . ?
C32A C62A Sc2A 61.0(5) 6_565 . ?
Sc2A C62A Sc2A 31.60(19) 6_565 . ?
C36A C63A C37A 132(3) 6_565 6_565 ?
C36A C63A C60A 79.9(18) 6_565 . ?
C37A C63A C60A 126.1(13) 6_565 . ?
C36A C63A C64A 53.5(17) 6_565 . ?
C37A C63A C64A 117.6(12) 6_565 . ?
C60A C63A C64A 116.2(12) . . ?
C36A C63A C62A 158(2) 6_565 . ?
C37A C63A C62A 27.8(10) 6_565 . ?
C60A C63A C62A 118.9(7) . . ?
C64A C63A C62A 118.6(7) . . ?
C36A C63A C41A 60.5(17) 6_565 6_565 ?
C37A C63A C41A 147.8(15) 6_565 6_565 ?
C60A C63A C41A 22.7(7) . 6_565 ?
C64A C63A C41A 93.8(11) . 6_565 ?
C62A C63A C41A 140.2(9) . 6_565 ?
C36A C63A C35A 51.2(15) 6_565 6_565 ?
C37A C63A C35A 114.9(13) 6_565 6_565 ?
C60A C63A C35A 118.4(11) . 6_565 ?
C64A C63A C35A 5.5(11) . 6_565 ?
C62A C63A C35A 118.7(8) . 6_565 ?
C41A C63A C35A 95.7(10) 6_565 6_565 ?
C36A C63A C38A 160(2) 6_565 6_565 ?
C37A C63A C38A 46.2(9) 6_565 6_565 ?
C60A C63A C38A 88.3(6) . 6_565 ?
C64A C63A C38A 145.8(8) . 6_565 ?
C62A C63A C38A 30.7(4) . 6_565 ?
C41A C63A C38A 110.4(8) 6_565 6_565 ?
C35A C63A C38A 147.6(10) 6_565 6_565 ?
C36A C63A C33A 120.0(18) 6_565 6_565 ?
C37A C63A C33A 44.0(8) 6_565 6_565 ?
C60A C63A C33A 159.7(8) . 6_565 ?
C64A C63A C33A 77.7(6) . 6_565 ?
C62A C63A C33A 42.7(5) . 6_565 ?
C41A C63A C33A 165.8(12) 6_565 6_565 ?
C35A C63A C33A 76.8(6) 6_565 6_565 ?
C38A C63A C33A 73.4(7) 6_565 6_565 ?
C36A C63A Sc2A 123(2) 6_565 6_565 ?
C37A C63A Sc2A 94.5(11) 6_565 6_565 ?
C60A C63A Sc2A 98.9(9) . 6_565 ?
C64A C63A Sc2A 78.4(8) . 6_565 ?
C62A C63A Sc2A 68.4(6) . 6_565 ?
C41A C63A Sc2A 99.1(10) 6_565 6_565 ?
C35A C63A Sc2A 83.1(8) 6_565 6_565 ?
C38A C63A Sc2A 74.3(6) 6_565 6_565 ?
C33A C63A Sc2A 68.2(5) 6_565 6_565 ?
C35A C64A C36A 131(5) 6_565 6_565 ?
C35A C64A C63A 146(6) 6_565 . ?
C36A C64A C63A 24.4(8) 6_565 . ?
C35A C64A C68A 80(4) 6_565 . ?
C36A C64A C68A 107.2(12) 6_565 . ?
C63A C64A C68A 121.4(12) . . ?
C35A C64A C34A 77(3) 6_565 6_565 ?
C36A C64A C34A 120.4(13) 6_565 6_565 ?
C63A C64A C34A 101.0(9) . 6_565 ?
C68A C64A C34A 131.5(10) . 6_565 ?
C35A C64A C65A 68(4) 6_565 . ?
C36A C64A C65A 143.6(10) 6_565 . ?
C63A C64A C65A 121.2(7) . . ?
C68A C64A C65A 106.9(7) . . ?
C34A C64A C65A 24.6(7) 6_565 . ?
C35A C64A C47A 66(4) 6_565 6_565 ?
C36A C64A C47A 127.3(14) 6_565 6_565 ?
C63A C64A C47A 140.3(14) . 6_565 ?
C68A C64A C47A 20.1(7) . 6_565 ?
C34A C64A C47A 112.0(12) 6_565 6_565 ?
C65A C64A C47A 87.7(9) . 6_565 ?
C35A C64A Sc2A 145(4) 6_565 6_565 ?
C36A C64A Sc2A 82.5(11) 6_565 6_565 ?
C63A C64A Sc2A 61.4(7) . 6_565 ?
C68A C64A Sc2A 102.4(11) . 6_565 ?
C34A C64A Sc2A 76.6(8) 6_565 6_565 ?
C65A C64A Sc2A 78.1(7) . 6_565 ?
C47A C64A Sc2A 104.7(13) 6_565 6_565 ?
C34A C65A C29A 111.1(19) 6_565 6_565 ?
C34A C65A C35A 80.3(15) 6_565 6_565 ?
C29A C65A C35A 164.0(14) 6_565 6_565 ?
C34A C65A C66A 171(2) 6_565 . ?
C29A C65A C66A 66.7(8) 6_565 . ?
C35A C65A C66A 103.7(9) 6_565 . ?
C34A C65A C64A 77.0(16) 6_565 . ?
C29A C65A C64A 156.8(12) 6_565 . ?
C35A C65A C64A 11.3(11) 6_565 . ?
C66A C65A C64A 108.4(7) . . ?
C34A C65A C31A 61.5(16) 6_565 . ?
C29A C65A C31A 53.7(7) 6_565 . ?
C35A C65A C31A 130.2(9) 6_565 . ?
C66A C65A C31A 118.8(7) . . ?
C64A C65A C31A 120.5(7) . . ?
C34A C65A C28A 157.9(18) 6_565 6_565 ?
C29A C65A C28A 46.9(7) 6_565 6_565 ?
C35A C65A C28A 121.5(11) 6_565 6_565 ?
C66A C65A C28A 20.8(6) . 6_565 ?
C64A C65A C28A 123.5(8) . 6_565 ?
C31A C65A C28A 98.1(6) . 6_565 ?
C34A C65A C33A 20.4(16) 6_565 6_565 ?
C29A C65A C33A 103.7(10) 6_565 6_565 ?
C35A C65A C33A 83.0(8) 6_565 6_565 ?
C66A C65A C33A 165.8(9) . 6_565 ?
C64A C65A C33A 76.1(6) . 6_565 ?
C31A C65A C33A 50.2(5) . 6_565 ?
C28A C65A C33A 146.5(8) 6_565 6_565 ?
C34A C65A Sc2A 78.8(19) 6_565 6_565 ?
C29A C65A Sc2A 94.7(8) 6_565 6_565 ?
C35A C65A Sc2A 76.0(8) 6_565 6_565 ?
C66A C65A Sc2A 109.5(8) . 6_565 ?
C64A C65A Sc2A 64.8(7) . 6_565 ?
C31A C65A Sc2A 66.7(5) . 6_565 ?
C28A C65A Sc2A 101.7(6) 6_565 6_565 ?
C33A C65A Sc2A 59.5(4) 6_565 6_565 ?
C28A C66A C48A 96.5(18) 6_565 6_565 ?
C28A C66A C65A 119.2(14) 6_565 . ?
C48A C66A C65A 128.3(12) 6_565 . ?
C28A C66A C67A 115.0(14) 6_565 . ?
C48A C66A C67A 19.7(10) 6_565 . ?
C65A C66A C67A 110.0(7) . . ?
C28A C66A C29A 70.9(13) 6_565 6_565 ?
C48A C66A C29A 151.6(14) 6_565 6_565 ?
C65A C66A C29A 49.9(6) . 6_565 ?
C67A C66A C29A 148.5(10) . 6_565 ?
C28A C66A C24A 10.4(13) 6_565 . ?
C48A C66A C24A 100.6(11) 6_565 . ?
C65A C66A C24A 121.4(7) . . ?
C67A C66A C24A 120.0(7) . . ?
C29A C66A C24A 71.7(6) 6_565 . ?
C28A C66A C47A 140.0(18) 6_565 6_565 ?
C48A C66A C47A 51.1(9) 6_565 6_565 ?
C65A C66A C47A 78.9(7) . 6_565 ?
C67A C66A C47A 31.5(7) . 6_565 ?
C29A C66A C47A 124.7(9) 6_565 6_565 ?
C24A C66A C47A 148.2(10) . 6_565 ?
C28A C66A C34A 119.3(14) 6_565 6_565 ?
C48A C66A C34A 130.3(12) 6_565 6_565 ?
C65A C66A C34A 2.7(7) . 6_565 ?
C67A C66A C34A 111.7(7) . 6_565 ?
C29A C66A C34A 49.3(6) 6_565 6_565 ?
C24A C66A C34A 121.0(6) . 6_565 ?
C47A C66A C34A 80.5(7) 6_565 6_565 ?
C48A C67A C47A 148(3) 6_565 6_565 ?
C48A C67A C66A 50(2) 6_565 . ?
C47A C67A C66A 99.4(13) 6_565 . ?
C48A C67A C18A 73(2) 6_565 . ?
C47A C67A C18A 131.2(15) 6_565 . ?
C66A C67A C18A 120.5(8) . . ?
C48A C67A C68A 153(3) 6_565 . ?
C47A C67A C68A 11.5(14) 6_565 . ?
C66A C67A C68A 107.6(7) . . ?
C18A C67A C68A 119.8(8) . . ?
C48A C67A C49A 57(2) 6_565 6_565 ?
C47A C67A C49A 144.9(18) 6_565 6_565 ?
C66A C67A C49A 105.3(8) . 6_565 ?
C18A C67A C49A 15.7(7) . 6_565 ?
C68A C67A C49A 133.4(10) . 6_565 ?
C48A C67A C28A 30.4(19) 6_565 6_565 ?
C47A C67A C28A 117.7(15) 6_565 6_565 ?
C66A C67A C28A 21.8(6) . 6_565 ?
C18A C67A C28A 98.7(8) . 6_565 ?
C68A C67A C28A 123.6(8) . 6_565 ?
C49A C67A C28A 83.6(9) 6_565 6_565 ?
C48A C67A C46A 156(3) 6_565 6_565 ?
C47A C67A C46A 44.5(11) 6_565 6_565 ?
C66A C67A C46A 139.9(8) . 6_565 ?
C18A C67A C46A 87.5(8) . 6_565 ?
C68A C67A C46A 34.2(6) . 6_565 ?
C49A C67A C46A 102.6(9) 6_565 6_565 ?
C28A C67A C46A 148.5(11) 6_565 6_565 ?
C47A C68A C46A 115(3) 6_565 6_565 ?
C47A C68A C69A 142(3) 6_565 . ?
C46A C68A C69A 28.1(10) 6_565 . ?
C47A C68A C35A 83(2) 6_565 6_565 ?
C46A C68A C35A 161.5(16) 6_565 6_565 ?
C69A C68A C35A 133.6(12) . 6_565 ?
C47A C68A C64A 92(2) 6_565 . ?
C46A C68A C64A 151.7(15) 6_565 . ?
C69A C68A C64A 123.7(12) . . ?
C35A C68A C64A 11.6(11) 6_565 . ?
C47A C68A C67A 21(3) 6_565 . ?
C46A C68A C67A 96.5(11) 6_565 . ?
C69A C68A C67A 121.2(8) . . ?
C35A C68A C67A 101.1(9) 6_565 . ?
C64A C68A C67A 107.0(7) . . ?
C47A C68A C48A 21(3) 6_565 6_565 ?
C46A C68A C48A 101.3(12) 6_565 6_565 ?
C69A C68A C48A 124.4(9) . 6_565 ?
C35A C68A C48A 95.8(10) 6_565 6_565 ?
C64A C68A C48A 100.9(7) . 6_565 ?
C67A C68A C48A 7.0(7) . 6_565 ?
C47A C68A C42A 161(3) 6_565 6_565 ?
C46A C68A C42A 46.9(9) 6_565 6_565 ?
C69A C68A C42A 19.4(9) . 6_565 ?
C35A C68A C42A 114.7(10) 6_565 6_565 ?
C64A C68A C42A 105.6(9) . 6_565 ?
C67A C68A C42A 139.9(8) . 6_565 ?
C48A C68A C42A 142.1(9) 6_565 6_565 ?
C47A C68A Sc2A 98(3) 6_565 6_565 ?
C46A C68A Sc2A 114.7(12) 6_565 6_565 ?
C69A C68A Sc2A 96.4(10) . 6_565 ?
C35A C68A Sc2A 57.9(9) 6_565 6_565 ?
C64A C68A Sc2A 48.1(8) . 6_565 ?
C67A C68A Sc2A 96.6(7) . 6_565 ?
C48A C68A Sc2A 89.9(7) 6_565 6_565 ?
C42A C68A Sc2A 88.1(7) 6_565 6_565 ?
C46A C69A C42A 166(4) 6_565 6_565 ?
C46A C69A C68A 53(2) 6_565 . ?
C42A C69A C68A 127(2) 6_565 . ?
C46A C69A C59A 169(3) 6_565 . ?
C42A C69A C59A 17.7(16) 6_565 . ?
C68A C69A C59A 116.4(15) . . ?
C46A C69A C70A 75(2) 6_565 . ?
C42A C69A C70A 111(2) 6_565 . ?
C68A C69A C70A 119.6(8) . . ?
C59A C69A C70A 114.9(13) . . ?
C46A C69A C45A 55.1(19) 6_565 6_565 ?
C42A C69A C45A 131(2) 6_565 6_565 ?
C68A C69A C45A 100.8(9) . 6_565 ?
C59A C69A C45A 134.4(14) . 6_565 ?
C70A C69A C45A 20.0(6) . 6_565 ?
C46A C69A C43A 135(3) 6_565 6_565 ?
C42A C69A C43A 49.3(14) 6_565 6_565 ?
C68A C69A C43A 164.2(14) . 6_565 ?
C59A C69A C43A 55.4(8) . 6_565 ?
C70A C69A C43A 61.8(9) . 6_565 ?
C45A C69A C43A 81.8(11) 6_565 6_565 ?
C46A C69A C47A 43(2) 6_565 6_565 ?
C42A C69A C47A 138(2) 6_565 6_565 ?
C68A C69A C47A 10.7(7) . 6_565 ?
C59A C69A C47A 126.3(15) . 6_565 ?
C70A C69A C47A 109.2(10) . 6_565 ?
C45A C69A C47A 90.2(10) 6_565 6_565 ?
C43A C69A C47A 163.3(12) 6_565 6_565 ?
C46A C69A C41A 142(3) 6_565 6_565 ?
C42A C69A C41A 40.2(15) 6_565 6_565 ?
C68A C69A C41A 89.4(12) . 6_565 ?
C59A C69A C41A 27.1(7) . 6_565 ?
C70A C69A C41A 137.6(13) . 6_565 ?
C45A C69A C41A 153.1(12) 6_565 6_565 ?
C43A C69A C41A 82.1(8) 6_565 6_565 ?
C47A C69A C41A 99.5(12) 6_565 6_565 ?
C45A C70A C44A 144(3) 6_565 6_565 ?
C45A C70A C10A 136(2) 6_565 . ?
C44A C70A C10A 13.7(13) 6_565 . ?
C45A C70A C17A 29(2) 6_565 . ?
C44A C70A C17A 120.0(14) 6_565 . ?
C10A C70A C17A 108.5(8) . . ?
C45A C70A C46A 72.0(19) 6_565 6_565 ?
C44A C70A C46A 143.3(19) 6_565 6_565 ?
C10A C70A C46A 150.9(14) . 6_565 ?
C17A C70A C46A 95.9(9) . 6_565 ?
C45A C70A C69A 96(2) 6_565 . ?
C44A C70A C69A 119.3(16) 6_565 . ?
C10A C70A C69A 126.7(13) . . ?
C17A C70A C69A 117.9(8) . . ?
C46A C70A C69A 24.4(7) 6_565 . ?
C45A C70A C43A 162(3) 6_565 6_565 ?
C44A C70A C43A 52.9(10) 6_565 6_565 ?
C10A C70A C43A 62.1(9) . 6_565 ?
C17A C70A C43A 164.4(12) . 6_565 ?
C46A C70A C43A 90.4(11) 6_565 6_565 ?
C69A C70A C43A 66.5(9) . 6_565 ?
C45A C70A C50A 30.5(19) 6_565 6_565 ?
C44A C70A C50A 120.0(17) 6_565 6_565 ?
C10A C70A C50A 108.1(9) . 6_565 ?
C17A C70A C50A 2.9(12) . 6_565 ?
C46A C70A C50A 95.5(9) 6_565 6_565 ?
C69A C70A C50A 116.9(9) . 6_565 ?
C43A C70A C50A 161.8(11) 6_565 6_565 ?
C45A C70A C42A 119(2) 6_565 6_565 ?
C44A C70A C42A 96.8(14) 6_565 6_565 ?
C10A C70A C42A 105.1(10) . 6_565 ?
C17A C70A C42A 139.5(8) . 6_565 ?
C46A C70A C42A 46.6(7) 6_565 6_565 ?
C69A C70A C42A 22.6(7) . 6_565 ?
C43A C70A C42A 43.9(5) 6_565 6_565 ?
C50A C70A C42A 138.2(10) 6_565 6_565 ?
N2P Ni1P N2P 89.5(2) 6_565 . ?
N2P Ni1P N1P 90.42(16) 6_565 6_565 ?
N2P Ni1P N1P 178.06(11) . 6_565 ?
N2P Ni1P N1P 178.06(11) 6_565 . ?
N2P Ni1P N1P 90.42(16) . . ?
N1P Ni1P N1P 89.60(19) 6_565 . ?
C2P N1P C5P 104.0(3) . . ?
C2P N1P Ni1P 128.0(3) . . ?
C5P N1P Ni1P 127.9(2) . . ?
C10P N2P C7P 104.2(3) . . ?
C10P N2P Ni1P 128.7(3) . . ?
C7P N2P Ni1P 127.0(2) . . ?
C2P C1P C2P 123.8(5) . 6_565 ?
C2P C1P H1P 118.1 . . ?
C2P C1P H1P 118.1 6_565 . ?
C1P C2P N1P 125.3(4) . . ?
C1P C2P C3P 123.4(3) . . ?
N1P C2P C3P 111.3(4) . . ?
C4P C3P C2P 106.7(3) . . ?
C4P C3P C12P 129.5(4) . . ?
C2P C3P C12P 123.8(4) . . ?
C3P C4P C5P 106.7(4) . . ?
C3P C4P C14P 128.7(4) . . ?
C5P C4P C14P 124.4(4) . . ?
C6P C5P N1P 124.3(4) . . ?
C6P C5P C4P 124.4(4) . . ?
N1P C5P C4P 111.3(3) . . ?
C7P C6P C5P 125.0(5) . . ?
C7P C6P H6P 117.5 . . ?
C5P C6P H6P 117.5 . . ?
C6P C7P N2P 125.2(4) . . ?
C6P C7P C8P 123.9(5) . . ?
N2P C7P C8P 110.9(4) . . ?
C9P C8P C7P 106.3(4) . . ?
C9P C8P C16P 129.1(4) . . ?
C7P C8P C16P 124.5(5) . . ?
C8P C9P C10P 108.4(4) . . ?
C8P C9P C18P 127.4(5) . . ?
C10P C9P C18P 124.2(5) . . ?
C11P C10P N2P 123.5(4) . . ?
C11P C10P C9P 126.3(4) . . ?
N2P C10P C9P 110.2(4) . . ?
C10P C11P C10P 126.1(5) 6_565 . ?
C10P C11P H11P 116.9 6_565 . ?
C10P C11P H11P 116.9 . . ?
C3P C12P C13P 111.0(3) . . ?
C3P C12P H12A 109.4 . . ?
C13P C12P H12A 109.4 . . ?
C3P C12P H12B 109.4 . . ?
C13P C12P H12B 109.4 . . ?
H12A C12P H12B 108.0 . . ?
C12P C13P H13A 109.5 . . ?
C12P C13P H13B 109.5 . . ?
H13A C13P H13B 109.5 . . ?
C12P C13P H13C 109.5 . . ?
H13A C13P H13C 109.5 . . ?
H13B C13P H13C 109.5 . . ?
C4P C14P C15P 113.3(4) . . ?
C4P C14P H14A 108.9 . . ?
C15P C14P H14A 108.9 . . ?
C4P C14P H14B 108.9 . . ?
C15P C14P H14B 108.9 . . ?
H14A C14P H14B 107.7 . . ?
C14P C15P H15A 109.5 . . ?
C14P C15P H15B 109.5 . . ?
H15A C15P H15B 109.5 . . ?
C14P C15P H15C 109.5 . . ?
H15A C15P H15C 109.5 . . ?
H15B C15P H15C 109.5 . . ?
C8P C16P C17P 113.4(4) . . ?
C8P C16P H16A 108.9 . . ?
C17P C16P H16A 108.9 . . ?
C8P C16P H16B 108.9 . . ?
C17P C16P H16B 108.9 . . ?
H16A C16P H16B 107.7 . . ?
C16P C17P H17A 109.5 . . ?
C16P C17P H17B 109.5 . . ?
H17A C17P H17B 109.5 . . ?
C16P C17P H17C 109.5 . . ?
H17A C17P H17C 109.5 . . ?
H17B C17P H17C 109.5 . . ?
C19P C18P C9P 111.1(5) . . ?
C19P C18P H18A 109.4 . . ?
C9P C18P H18A 109.4 . . ?
C19P C18P H18B 109.4 . . ?
C9P C18P H18B 109.4 . . ?
H18A C18P H18B 108.0 . . ?
C18P C19P H19A 109.5 . . ?
C18P C19P H19B 109.5 . . ?
H19A C19P H19B 109.5 . . ?
C18P C19P H19C 109.5 . . ?
H19A C19P H19C 109.5 . . ?
H19B C19P H19C 109.5 . . ?
C2S C1S C2S 125.3(16) . 6_565 ?
C2S C1S C5S 117.3(8) . . ?
C2S C1S C5S 117.3(8) 6_565 . ?
C1S C2S C3S 117.6(9) . . ?
C1S C2S H2S 121.2 . . ?
C3S C2S H2S 121.2 . . ?
C4S C3S C2S 120.7(8) . . ?
C4S C3S H3S 119.6 . . ?
C2S C3S H3S 119.6 . . ?
C3S C4S C3S 118.0(15) 6_565 . ?
C3S C4S H4S 121.0 6_565 . ?
C3S C4S H4S 121.0 . . ?
C1S C5S H5S1 109.5 . . ?
C1S C5S H5S2 109.5 . . ?
H5S1 C5S H5S2 109.5 . . ?
C1S C5S H5S3 109.5 . . ?
H5S1 C5S H5S3 109.5 . . ?
H5S2 C5S H5S3 109.5 . . ?
C1S C5S H5S1 109.476(18) . 6_565 ?
H5S1 C5S H5S1 141.0 . 6_565 ?
H5S2 C5S H5S1 58.8 . 6_565 ?
H5S3 C5S H5S1 53.7 . 6_565 ?
C1S C5S H5S2 109.5(6) . 6_565 ?
H5S1 C5S H5S2 58.8 . 6_565 ?
H5S2 C5S H5S2 53.7 . 6_565 ?
H5S3 C5S H5S2 141.0 . 6_565 ?
H5S1 C5S H5S2 109.5 6_565 6_565 ?
C1S C5S H5S3 109.5(5) . 6_565 ?
H5S1 C5S H5S3 53.7 . 6_565 ?
H5S2 C5S H5S3 141.0 . 6_565 ?
H5S3 C5S H5S3 58.8 . 6_565 ?
H5S1 C5S H5S3 109.5 6_565 6_565 ?
H5S2 C5S H5S3 109.5 6_565 6_565 ?
C7S C6S C8S 111(2) . 5_657 ?
C7S C6S H6S 124.7 . . ?
C8S C6S H6S 124.7 5_657 . ?
C6S C7S C8S 131(3) . . ?
C6S C7S H7S 114.5 . . ?
C8S C7S H7S 114.5 . . ?
C7S C8S C6S 118(2) . 5_657 ?
C7S C8S H8S 120.8 . . ?
C6S C8S H8S 120.8 5_657 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8A C1A C2A C57A 22.7(10) . . . . ?
C8A C1A C2A C57A 115.3(8) 6_565 . . . ?
C5A C1A C2A C57A 142.0(7) . . . . ?
C5A C1A C2A C57A -4.0(9) 6_565 . . . ?
Sc1A C1A C2A C57A 78.3(7) . . . . ?
Sc1A C1A C2A C57A 59.7(7) 6_565 . . . ?
C8A C1A C2A C57A -115.3(8) . . . 6_565 ?
C8A C1A C2A C57A -22.7(10) 6_565 . . 6_565 ?
C5A C1A C2A C57A 4.0(9) . . . 6_565 ?
C5A C1A C2A C57A -142.0(7) 6_565 . . 6_565 ?
Sc1A C1A C2A C57A -59.7(7) . . . 6_565 ?
Sc1A C1A C2A C57A -78.3(7) 6_565 . . 6_565 ?
C8A C1A C2A C3A 29.4(10) . . . 6_565 ?
C8A C1A C2A C3A 122.0(8) 6_565 . . 6_565 ?
C5A C1A C2A C3A 148.7(8) . . . 6_565 ?
C5A C1A C2A C3A 2.7(9) 6_565 . . 6_565 ?
Sc1A C1A C2A C3A 85.0(7) . . . 6_565 ?
Sc1A C1A C2A C3A 66.4(7) 6_565 . . 6_565 ?
C8A C1A C2A C3A -122.0(8) . . . . ?
C8A C1A C2A C3A -29.4(10) 6_565 . . . ?
C5A C1A C2A C3A -2.7(9) . . . . ?
C5A C1A C2A C3A -148.7(8) 6_565 . . . ?
Sc1A C1A C2A C3A -66.4(7) . . . . ?
Sc1A C1A C2A C3A -85.0(7) 6_565 . . . ?
C8A C1A C2A Sc1A -55.6(5) . . . . ?
C8A C1A C2A Sc1A 37.0(5) 6_565 . . . ?
C5A C1A C2A Sc1A 63.7(5) . . . . ?
C5A C1A C2A Sc1A -82.3(5) 6_565 . . . ?
Sc1A C1A C2A Sc1A -18.61(10) 6_565 . . . ?
C8A C1A C2A Sc1A -37.0(5) . . . 6_565 ?
C8A C1A C2A Sc1A 55.6(5) 6_565 . . 6_565 ?
C5A C1A C2A Sc1A 82.3(5) . . . 6_565 ?
C5A C1A C2A Sc1A -63.7(5) 6_565 . . 6_565 ?
Sc1A C1A C2A Sc1A 18.61(10) . . . 6_565 ?
C57A C2A C3A C57A 7(4) . . . 6_565 ?
C1A C2A C3A C57A 151(4) . . . 6_565 ?
C3A C2A C3A C57A 9(6) 6_565 . . 6_565 ?
Sc1A C2A C3A C57A 86(4) . . . 6_565 ?
Sc1A C2A C3A C57A 79(4) 6_565 . . 6_565 ?
C57A C2A C3A C58A -114.2(15) . . . 6_565 ?
C57A C2A C3A C58A -121(5) 6_565 . . 6_565 ?
C1A C2A C3A C58A 30.0(16) . . . 6_565 ?
C3A C2A C3A C58A -112.0(12) 6_565 . . 6_565 ?
Sc1A C2A C3A C58A -34.8(13) . . . 6_565 ?
Sc1A C2A C3A C58A -41.8(14) 6_565 . . 6_565 ?
C57A C2A C3A C4A -141.1(10) . . . . ?
C57A C2A C3A C4A -148(5) 6_565 . . . ?
C1A C2A C3A C4A 3.1(12) . . . . ?
C3A C2A C3A C4A -138.9(10) 6_565 . . . ?
Sc1A C2A C3A C4A -61.8(9) . . . . ?
Sc1A C2A C3A C4A -68.7(9) 6_565 . . . ?
C57A C2A C3A C40A 0.3(13) . . . . ?
C57A C2A C3A C40A -7(4) 6_565 . . . ?
C1A C2A C3A C40A 144.4(10) . . . . ?
C3A C2A C3A C40A 2(2) 6_565 . . . ?
Sc1A C2A C3A C40A 79.6(11) . . . . ?
Sc1A C2A C3A C40A 72.6(11) 6_565 . . . ?
C57A C2A C3A C61A 8.9(11) . . . 6_565 ?
C57A C2A C3A C61A 2(4) 6_565 . . 6_565 ?
C1A C2A C3A C61A 153.0(8) . . . 6_565 ?
C3A C2A C3A C61A 11(2) 6_565 . . 6_565 ?
Sc1A C2A C3A C61A 88.2(9) . . . 6_565 ?
Sc1A C2A C3A C61A 81.3(9) 6_565 . . 6_565 ?
C57A C2A C3A Sc1A -79.3(7) . . . . ?
C57A C2A C3A Sc1A -86(4) 6_565 . . . ?
C1A C2A C3A Sc1A 64.9(5) . . . . ?
C3A C2A C3A Sc1A -77.1(14) 6_565 . . . ?
Sc1A C2A C3A Sc1A -6.93(12) 6_565 . . . ?
C57A C2A C3A Sc1A -72.4(6) . . . 6_565 ?
C57A C2A C3A Sc1A -79(4) 6_565 . . 6_565 ?
C1A C2A C3A Sc1A 71.8(5) . . . 6_565 ?
C3A C2A C3A Sc1A -70.2(14) 6_565 . . 6_565 ?
Sc1A C2A C3A Sc1A 6.93(12) . . . 6_565 ?
C57A C3A C4A C58A 67(7) 6_565 . . 6_565 ?
C2A C3A C4A C58A 140.5(17) . . . 6_565 ?
C40A C3A C4A C58A -0.3(15) . . . 6_565 ?
C61A C3A C4A C58A 8.1(19) 6_565 . . 6_565 ?
Sc1A C3A C4A C58A 79.3(13) . . . 6_565 ?
Sc1A C3A C4A C58A 87.8(13) 6_565 . . 6_565 ?
C57A C3A C4A C9A -15(7) 6_565 . . 6_565 ?
C58A C3A C4A C9A -81.9(17) 6_565 . . 6_565 ?
C2A C3A C4A C9A 58.6(18) . . . 6_565 ?
C40A C3A C4A C9A -82.2(17) . . . 6_565 ?
C61A C3A C4A C9A -74(2) 6_565 . . 6_565 ?
Sc1A C3A C4A C9A -2.6(13) . . . 6_565 ?
Sc1A C3A C4A C9A 5.9(14) 6_565 . . 6_565 ?
C57A C3A C4A C5A -75(7) 6_565 . . . ?
C58A C3A C4A C5A -142.7(16) 6_565 . . . ?
C2A C3A C4A C5A -2.2(12) . . . . ?
C40A C3A C4A C5A -143.0(11) . . . . ?
C61A C3A C4A C5A -134.6(15) 6_565 . . . ?
Sc1A C3A C4A C5A -63.4(6) . . . . ?
Sc1A C3A C4A C5A -54.9(7) 6_565 . . . ?
C57A C3A C4A C43A 63(7) 6_565 . . . ?
C58A C3A C4A C43A -4.4(13) 6_565 . . . ?
C2A C3A C4A C43A 136.2(9) . . . . ?
C40A C3A C4A C43A -4.7(16) . . . . ?
C61A C3A C4A C43A 4(2) 6_565 . . . ?
Sc1A C3A C4A C43A 75.0(8) . . . . ?
Sc1A C3A C4A C43A 83.4(8) 6_565 . . . ?
C58A C3A C4A C57A -67(7) 6_565 . . 6_565 ?
C2A C3A C4A C57A 73(7) . . . 6_565 ?
C40A C3A C4A C57A -68(7) . . . 6_565 ?
C61A C3A C4A C57A -59(6) 6_565 . . 6_565 ?
Sc1A C3A C4A C57A 12(7) . . . 6_565 ?
Sc1A C3A C4A C57A 21(7) 6_565 . . 6_565 ?
C57A C3A C4A C8A -58(7) 6_565 . . 6_565 ?
C58A C3A C4A C8A -125.5(15) 6_565 . . 6_565 ?
C2A C3A C4A C8A 15.0(11) . . . 6_565 ?
C40A C3A C4A C8A -125.9(11) . . . 6_565 ?
C61A C3A C4A C8A -117.4(16) 6_565 . . 6_565 ?
Sc1A C3A C4A C8A -46.2(5) . . . 6_565 ?
Sc1A C3A C4A C8A -37.8(5) 6_565 . . 6_565 ?
C57A C3A C4A Sc1A -12(7) 6_565 . . . ?
C58A C3A C4A Sc1A -79.3(13) 6_565 . . . ?
C2A C3A C4A Sc1A 61.2(8) . . . . ?
C40A C3A C4A Sc1A -79.7(11) . . . . ?
C61A C3A C4A Sc1A -71.2(16) 6_565 . . . ?
Sc1A C3A C4A Sc1A 8.45(10) 6_565 . . . ?
C58A C4A C5A C8A 18(3) 6_565 . . 6_565 ?
C9A C4A C5A C8A -49.0(16) 6_565 . . 6_565 ?
C3A C4A C5A C8A 83.0(18) . . . 6_565 ?
C43A C4A C5A C8A -55.9(18) . . . 6_565 ?
C57A C4A C5A C8A 77.6(17) 6_565 . . 6_565 ?
Sc1A C4A C5A C8A 17.0(15) . . . 6_565 ?
C58A C4A C5A C9A 67(2) 6_565 . . 6_565 ?
C3A C4A C5A C9A 132.0(13) . . . 6_565 ?
C43A C4A C5A C9A -6.9(9) . . . 6_565 ?
C57A C4A C5A C9A 126.6(11) 6_565 . . 6_565 ?
C8A C4A C5A C9A 49.0(16) 6_565 . . 6_565 ?
Sc1A C4A C5A C9A 66.0(8) . . . 6_565 ?
C58A C4A C5A C6A 59(3) 6_565 . . . ?
C9A C4A C5A C6A -7.8(10) 6_565 . . . ?
C3A C4A C5A C6A 124.2(10) . . . . ?
C43A C4A C5A C6A -14.7(12) . . . . ?
C57A C4A C5A C6A 118.8(9) 6_565 . . . ?
C8A C4A C5A C6A 41.2(14) 6_565 . . . ?
Sc1A C4A C5A C6A 58.2(7) . . . . ?
C58A C4A C5A C1A -64(2) 6_565 . . . ?
C9A C4A C5A C1A -131.5(10) 6_565 . . . ?
C3A C4A C5A C1A 0.5(11) . . . . ?
C43A C4A C5A C1A -138.4(8) . . . . ?
C57A C4A C5A C1A -4.9(9) 6_565 . . . ?
C8A C4A C5A C1A -82.5(17) 6_565 . . . ?
Sc1A C4A C5A C1A -65.5(5) . . . . ?
C58A C4A C5A Sc1A 1(2) 6_565 . . . ?
C9A C4A C5A Sc1A -66.0(8) 6_565 . . . ?
C3A C4A C5A Sc1A 66.0(8) . . . . ?
C43A C4A C5A Sc1A -72.9(8) . . . . ?
C57A C4A C5A Sc1A 60.6(6) 6_565 . . . ?
C8A C4A C5A Sc1A -17.0(15) 6_565 . . . ?
C58A C4A C5A Sc1A -8(2) 6_565 . . 6_565 ?
C9A C4A C5A Sc1A -75.2(8) 6_565 . . 6_565 ?
C3A C4A C5A Sc1A 56.8(8) . . . 6_565 ?
C43A C4A C5A Sc1A -82.1(8) . . . 6_565 ?
C57A C4A C5A Sc1A 51.4(6) 6_565 . . 6_565 ?
C8A C4A C5A Sc1A -26.2(15) 6_565 . . 6_565 ?
Sc1A C4A C5A Sc1A -9.19(9) . . . 6_565 ?
C8A C1A C5A C8A 4.5(9) . . . 6_565 ?
C2A C1A C5A C8A -123.2(12) . . . 6_565 ?
C5A C1A C5A C8A 8.7(18) 6_565 . . 6_565 ?
Sc1A C1A C5A C8A -58.2(11) . . . 6_565 ?
Sc1A C1A C5A C8A -51.7(12) 6_565 . . 6_565 ?
C8A C1A C5A C9A 80.8(12) . . . 6_565 ?
C8A C1A C5A C9A 76.3(14) 6_565 . . 6_565 ?
C2A C1A C5A C9A -46.8(12) . . . 6_565 ?
C5A C1A C5A C9A 85.0(15) 6_565 . . 6_565 ?
Sc1A C1A C5A C9A 18.2(10) . . . 6_565 ?
Sc1A C1A C5A C9A 24.6(11) 6_565 . . 6_565 ?
C8A C1A C5A C6A -1.3(9) . . . . ?
C8A C1A C5A C6A -5.7(12) 6_565 . . . ?
C2A C1A C5A C6A -128.9(7) . . . . ?
C5A C1A C5A C6A 3.0(14) 6_565 . . . ?
Sc1A C1A C5A C6A -63.9(6) . . . . ?
Sc1A C1A C5A C6A -57.5(6) 6_565 . . . ?
C8A C1A C5A C4A 129.0(8) . . . . ?
C8A C1A C5A C4A 124.5(14) 6_565 . . . ?
C2A C1A C5A C4A 1.4(8) . . . . ?
C5A C1A C5A C4A 133.2(9) 6_565 . . . ?
Sc1A C1A C5A C4A 66.4(6) . . . . ?
Sc1A C1A C5A C4A 72.8(6) 6_565 . . . ?
C8A C1A C5A Sc1A 62.6(5) . . . . ?
C8A C1A C5A Sc1A 58.2(11) 6_565 . . . ?
C2A C1A C5A Sc1A -65.0(4) . . . . ?
C5A C1A C5A Sc1A 66.9(10) 6_565 . . . ?
Sc1A C1A C5A Sc1A 6.41(12) 6_565 . . . ?
C8A C1A C5A Sc1A 56.2(5) . . . 6_565 ?
C8A C1A C5A Sc1A 51.7(12) 6_565 . . 6_565 ?
C2A C1A C5A Sc1A -71.4(4) . . . 6_565 ?
C5A C1A C5A Sc1A 60.5(9) 6_565 . . 6_565 ?
Sc1A C1A C5A Sc1A -6.41(12) . . . 6_565 ?
C9A C5A C6A C8A -121(2) 6_565 . . 6_565 ?
C4A C5A C6A C8A -115(2) . . . 6_565 ?
C1A C5A C6A C8A 9.5(19) . . . 6_565 ?
Sc1A C5A C6A C8A -55.4(19) . . . 6_565 ?
Sc1A C5A C6A C8A -40.6(19) 6_565 . . 6_565 ?
C8A C5A C6A C7A -16.3(19) 6_565 . . 6_565 ?
C9A C5A C6A C7A -137.3(12) 6_565 . . 6_565 ?
C4A C5A C6A C7A -131.3(10) . . . 6_565 ?
C1A C5A C6A C7A -6.8(12) . . . 6_565 ?
Sc1A C5A C6A C7A -71.7(9) . . . 6_565 ?
Sc1A C5A C6A C7A -56.9(9) 6_565 . . 6_565 ?
C8A C5A C6A C56A 132(2) 6_565 . . . ?
C9A C5A C6A C56A 10.7(11) 6_565 . . . ?
C4A C5A C6A C56A 16.7(13) . . . . ?
C1A C5A C6A C56A 141.2(9) . . . . ?
Sc1A C5A C6A C56A 76.3(9) . . . . ?
Sc1A C5A C6A C56A 91.1(10) 6_565 . . . ?
C8A C5A C6A C7A -14.8(18) 6_565 . . . ?
C9A C5A C6A C7A -135.7(10) 6_565 . . . ?
C4A C5A C6A C7A -129.8(9) . . . . ?
C1A C5A C6A C7A -5.3(10) . . . . ?
Sc1A C5A C6A C7A -70.2(7) . . . . ?
Sc1A C5A C6A C7A -55.4(7) 6_565 . . . ?
C8A C5A C6A C9A 121(2) 6_565 . . 6_565 ?
C4A C5A C6A C9A 6.0(8) . . . 6_565 ?
C1A C5A C6A C9A 130.5(9) . . . 6_565 ?
Sc1A C5A C6A C9A 65.6(6) . . . 6_565 ?
Sc1A C5A C6A C9A 80.4(6) 6_565 . . 6_565 ?
C8A C5A C6A C12A 42(3) 6_565 . . 6_565 ?
C9A C5A C6A C12A -79(2) 6_565 . . 6_565 ?
C4A C5A C6A C12A -73(2) . . . 6_565 ?
C1A C5A C6A C12A 51(2) . . . 6_565 ?
Sc1A C5A C6A C12A -14(2) . . . 6_565 ?
Sc1A C5A C6A C12A 1(2) 6_565 . . 6_565 ?
C8A C5A C6A C10A 130(2) 6_565 . . 6_565 ?
C9A C5A C6A C10A 9.0(8) 6_565 . . 6_565 ?
C4A C5A C6A C10A 14.9(10) . . . 6_565 ?
C1A C5A C6A C10A 139.4(8) . . . 6_565 ?
Sc1A C5A C6A C10A 74.5(7) . . . 6_565 ?
Sc1A C5A C6A C10A 89.3(7) 6_565 . . 6_565 ?
C8A C5A C6A C11A 121(2) 6_565 . . 6_565 ?
C9A C5A C6A C11A -0.4(11) 6_565 . . 6_565 ?
C4A C5A C6A C11A 5.6(14) . . . 6_565 ?
C1A C5A C6A C11A 130.1(9) . . . 6_565 ?
Sc1A C5A C6A C11A 65.2(9) . . . 6_565 ?
Sc1A C5A C6A C11A 80.0(9) 6_565 . . 6_565 ?
C8A C5A C6A Sc1A 55.4(19) 6_565 . . . ?
C9A C5A C6A Sc1A -65.6(6) 6_565 . . . ?
C4A C5A C6A Sc1A -59.6(7) . . . . ?
C1A C5A C6A Sc1A 64.9(5) . . . . ?
Sc1A C5A C6A Sc1A 14.82(9) 6_565 . . . ?
C8A C5A C6A Sc1A 40.6(19) 6_565 . . 6_565 ?
C9A C5A C6A Sc1A -80.4(6) 6_565 . . 6_565 ?
C4A C5A C6A Sc1A -74.4(7) . . . 6_565 ?
C1A C5A C6A Sc1A 50.1(5) . . . 6_565 ?
Sc1A C5A C6A Sc1A -14.82(9) . . . 6_565 ?
C8A C6A C7A C7A -169(3) 6_565 . . 6_565 ?
C5A C6A C7A C7A -162(3) . . . 6_565 ?
C56A C6A C7A C7A 51(2) . . . 6_565 ?
C9A C6A C7A C7A 149(3) 6_565 . . 6_565 ?
C12A C6A C7A C7A 37(2) 6_565 . . 6_565 ?
C10A C6A C7A C7A 77(2) 6_565 . . 6_565 ?
C11A C6A C7A C7A 48(2) 6_565 . . 6_565 ?
Sc1A C6A C7A C7A 130(2) . . . 6_565 ?
Sc1A C6A C7A C7A 134(2) 6_565 . . 6_565 ?
C8A C6A C7A C6A 11(3) 6_565 . . 6_565 ?
C7A C6A C7A C6A 179.94(13) 6_565 . . 6_565 ?
C5A C6A C7A C6A 18(3) . . . 6_565 ?
C56A C6A C7A C6A -129.1(19) . . . 6_565 ?
C9A C6A C7A C6A -31(3) 6_565 . . 6_565 ?
C12A C6A C7A C6A -143(2) 6_565 . . 6_565 ?
C10A C6A C7A C6A -103(2) 6_565 . . 6_565 ?
C11A C6A C7A C6A -131.7(19) 6_565 . . 6_565 ?
Sc1A C6A C7A C6A -50(2) . . . 6_565 ?
Sc1A C6A C7A C6A -47(2) 6_565 . . 6_565 ?
C8A C6A C7A C8A 3.5(9) 6_565 . . . ?
C7A C6A C7A C8A 172(2) 6_565 . . . ?
C5A C6A C7A C8A 9.8(10) . . . . ?
C56A C6A C7A C8A -136.8(10) . . . . ?
C9A C6A C7A C8A -38.4(13) 6_565 . . . ?
C12A C6A C7A C8A -150.9(8) 6_565 . . . ?
C10A C6A C7A C8A -111.0(13) 6_565 . . . ?
C11A C6A C7A C8A -139.4(8) 6_565 . . . ?
Sc1A C6A C7A C8A -57.4(7) . . . . ?
Sc1A C6A C7A C8A -54.3(6) 6_565 . . . ?
C8A C6A C7A C12A 145.2(11) 6_565 . . . ?
C7A C6A C7A C12A -46(3) 6_565 . . . ?
C5A C6A C7A C12A 151.6(8) . . . . ?
C56A C6A C7A C12A 4.9(14) . . . . ?
C9A C6A C7A C12A 103.3(10) 6_565 . . . ?
C12A C6A C7A C12A -9.2(6) 6_565 . . . ?
C10A C6A C7A C12A 30.7(17) 6_565 . . . ?
C11A C6A C7A C12A 2.3(11) 6_565 . . . ?
Sc1A C6A C7A C12A 84.3(8) . . . . ?
Sc1A C6A C7A C12A 87.5(8) 6_565 . . . ?
C8A C6A C7A C12A 154.4(12) 6_565 . . 6_565 ?
C7A C6A C7A C12A -37(2) 6_565 . . 6_565 ?
C5A C6A C7A C12A 160.7(9) . . . 6_565 ?
C56A C6A C7A C12A 14.1(9) . . . 6_565 ?
C9A C6A C7A C12A 112.5(11) 6_565 . . 6_565 ?
C10A C6A C7A C12A 39.9(12) 6_565 . . 6_565 ?
C11A C6A C7A C12A 11.5(6) 6_565 . . 6_565 ?
Sc1A C6A C7A C12A 93.4(4) . . . 6_565 ?
Sc1A C6A C7A C12A 96.6(4) 6_565 . . 6_565 ?
C7A C6A C7A C8A 169(3) 6_565 . . 6_565 ?
C5A C6A C7A C8A 6.3(8) . . . 6_565 ?
C56A C6A C7A C8A -140.4(16) . . . 6_565 ?
C9A C6A C7A C8A -42.0(11) 6_565 . . 6_565 ?
C12A C6A C7A C8A -154.4(12) 6_565 . . 6_565 ?
C10A C6A C7A C8A -114.5(18) 6_565 . . 6_565 ?
C11A C6A C7A C8A -142.9(14) 6_565 . . 6_565 ?
Sc1A C6A C7A C8A -61.0(10) . . . 6_565 ?
Sc1A C6A C7A C8A -57.8(10) 6_565 . . 6_565 ?
C8A C6A C7A Sc1A 57.8(10) 6_565 . . 6_565 ?
C7A C6A C7A Sc1A -134(2) 6_565 . . 6_565 ?
C5A C6A C7A Sc1A 64.1(7) . . . 6_565 ?
C56A C6A C7A Sc1A -82.6(9) . . . 6_565 ?
C9A C6A C7A Sc1A 15.8(10) 6_565 . . 6_565 ?
C12A C6A C7A Sc1A -96.6(4) 6_565 . . 6_565 ?
C10A C6A C7A Sc1A -56.8(13) 6_565 . . 6_565 ?
C11A C6A C7A Sc1A -85.1(5) 6_565 . . 6_565 ?
Sc1A C6A C7A Sc1A -3.18(12) . . . 6_565 ?
C8A C6A C7A Sc1A 61.0(10) 6_565 . . . ?
C7A C6A C7A Sc1A -130(2) 6_565 . . . ?
C5A C6A C7A Sc1A 67.3(7) . . . . ?
C56A C6A C7A Sc1A -79.4(9) . . . . ?
C9A C6A C7A Sc1A 19.0(9) 6_565 . . . ?
C12A C6A C7A Sc1A -93.4(4) 6_565 . . . ?
C10A C6A C7A Sc1A -53.6(12) 6_565 . . . ?
C11A C6A C7A Sc1A -82.0(6) 6_565 . . . ?
Sc1A C6A C7A Sc1A 3.18(12) 6_565 . . . ?
C7A C7A C8A C5A -131(5) 6_565 . . 6_565 ?
C6A C7A C8A C5A 53(5) 6_565 . . 6_565 ?
C6A C7A C8A C5A -133(5) . . . 6_565 ?
C12A C7A C8A C5A 85(5) . . . 6_565 ?
C12A C7A C8A C5A 153(5) 6_565 . . 6_565 ?
C8A C7A C8A C5A -131(5) 6_565 . . 6_565 ?
Sc1A C7A C8A C5A 154(5) 6_565 . . 6_565 ?
Sc1A C7A C8A C5A 170(5) . . . 6_565 ?
C7A C7A C8A C6A 176.0(11) 6_565 . . 6_565 ?
C6A C7A C8A C6A 173.8(16) . . . 6_565 ?
C12A C7A C8A C6A 31.8(13) . . . 6_565 ?
C12A C7A C8A C6A 100(2) 6_565 . . 6_565 ?
C8A C7A C8A C6A 175.9(11) 6_565 . . 6_565 ?
Sc1A C7A C8A C6A 101.1(12) 6_565 . . 6_565 ?
Sc1A C7A C8A C6A 116.7(12) . . . 6_565 ?
C7A C7A C8A C1A -8.6(10) 6_565 . . . ?
C6A C7A C8A C1A 175.4(16) 6_565 . . . ?
C6A C7A C8A C1A -10.8(10) . . . . ?
C12A C7A C8A C1A -152.8(7) . . . . ?
C12A C7A C8A C1A -84.2(17) 6_565 . . . ?
C8A C7A C8A C1A -8.6(10) 6_565 . . . ?
Sc1A C7A C8A C1A -83.5(7) 6_565 . . . ?
Sc1A C7A C8A C1A -67.9(7) . . . . ?
C7A C7A C8A C9A 139.9(7) 6_565 . . . ?
C6A C7A C8A C9A -36.1(11) 6_565 . . . ?
C6A C7A C8A C9A 137.8(10) . . . . ?
C12A C7A C8A C9A -4.3(14) . . . . ?
C12A C7A C8A C9A 64(2) 6_565 . . . ?
C8A C7A C8A C9A 139.9(7) 6_565 . . . ?
Sc1A C7A C8A C9A 65.1(9) 6_565 . . . ?
Sc1A C7A C8A C9A 80.6(9) . . . . ?
C6A C7A C8A C7A -176.0(11) 6_565 . . 6_565 ?
C6A C7A C8A C7A -2.1(6) . . . 6_565 ?
C12A C7A C8A C7A -144.2(10) . . . 6_565 ?
C12A C7A C8A C7A -75.5(16) 6_565 . . 6_565 ?
C8A C7A C8A C7A -0.015(15) 6_565 . . 6_565 ?
Sc1A C7A C8A C7A -74.8(4) 6_565 . . 6_565 ?
Sc1A C7A C8A C7A -59.3(4) . . . 6_565 ?
C7A C7A C8A C8A 0.015(11) 6_565 . . 6_565 ?
C6A C7A C8A C8A -175.9(11) 6_565 . . 6_565 ?
C6A C7A C8A C8A -2.1(6) . . . 6_565 ?
C12A C7A C8A C8A -144.2(10) . . . 6_565 ?
C12A C7A C8A C8A -75.5(16) 6_565 . . 6_565 ?
Sc1A C7A C8A C8A -74.8(4) 6_565 . . 6_565 ?
Sc1A C7A C8A C8A -59.2(4) . . . 6_565 ?
C7A C7A C8A C4A 119.4(15) 6_565 . . 6_565 ?
C6A C7A C8A C4A -56.5(17) 6_565 . . 6_565 ?
C6A C7A C8A C4A 117.3(17) . . . 6_565 ?
C12A C7A C8A C4A -25(2) . . . 6_565 ?
C12A C7A C8A C4A 44(3) 6_565 . . 6_565 ?
C8A C7A C8A C4A 119.4(15) 6_565 . . 6_565 ?
Sc1A C7A C8A C4A 44.6(16) 6_565 . . 6_565 ?
Sc1A C7A C8A C4A 60.2(17) . . . 6_565 ?
C7A C7A C8A Sc1A 74.8(4) 6_565 . . 6_565 ?
C6A C7A C8A Sc1A -101.1(12) 6_565 . . 6_565 ?
C6A C7A C8A Sc1A 72.7(7) . . . 6_565 ?
C12A C7A C8A Sc1A -69.3(8) . . . 6_565 ?
C12A C7A C8A Sc1A -0.7(16) 6_565 . . 6_565 ?
C8A C7A C8A Sc1A 74.8(4) 6_565 . . 6_565 ?
Sc1A C7A C8A Sc1A 15.57(13) . . . 6_565 ?
C7A C7A C8A Sc1A 59.3(4) 6_565 . . . ?
C6A C7A C8A Sc1A -116.7(12) 6_565 . . . ?
C6A C7A C8A Sc1A 57.1(6) . . . . ?
C12A C7A C8A Sc1A -84.9(7) . . . . ?
C12A C7A C8A Sc1A -16.3(16) 6_565 . . . ?
C8A C7A C8A Sc1A 59.2(4) 6_565 . . . ?
Sc1A C7A C8A Sc1A -15.57(13) 6_565 . . . ?
C8A C1A C8A C5A 175.6(9) 6_565 . . 6_565 ?
C2A C1A C8A C5A -67.3(13) . . . 6_565 ?
C5A C1A C8A C5A 173.5(14) . . . 6_565 ?
Sc1A C1A C8A C5A -123.9(12) . . . 6_565 ?
Sc1A C1A C8A C5A -109.7(12) 6_565 . . 6_565 ?
C8A C1A C8A C6A 20(4) 6_565 . . 6_565 ?
C2A C1A C8A C6A 137(4) . . . 6_565 ?
C5A C1A C8A C6A 17(4) . . . 6_565 ?
C5A C1A C8A C6A -156(5) 6_565 . . 6_565 ?
Sc1A C1A C8A C6A 80(4) . . . 6_565 ?
Sc1A C1A C8A C6A 94(4) 6_565 . . 6_565 ?
C8A C1A C8A C7A 9.6(11) 6_565 . . . ?
C2A C1A C8A C7A 126.7(7) . . . . ?
C5A C1A C8A C7A 7.5(10) . . . . ?
C5A C1A C8A C7A -166.0(17) 6_565 . . . ?
Sc1A C1A C8A C7A 70.1(7) . . . . ?
Sc1A C1A C8A C7A 84.3(8) 6_565 . . . ?
C8A C1A C8A C9A -139.9(6) 6_565 . . . ?
C2A C1A C8A C9A -22.8(11) . . . . ?
C5A C1A C8A C9A -142.1(8) . . . . ?
C5A C1A C8A C9A 44.5(11) 6_565 . . . ?
Sc1A C1A C8A C9A -79.4(8) . . . . ?
Sc1A C1A C8A C9A -65.3(8) 6_565 . . . ?
C8A C1A C8A C7A 7.9(9) 6_565 . . 6_565 ?
C2A C1A C8A C7A 125.0(6) . . . 6_565 ?
C5A C1A C8A C7A 5.8(8) . . . 6_565 ?
C5A C1A C8A C7A -167.7(15) 6_565 . . 6_565 ?
Sc1A C1A C8A C7A 68.4(5) . . . 6_565 ?
Sc1A C1A C8A C7A 82.6(6) 6_565 . . 6_565 ?
C2A C1A C8A C8A 117.1(7) . . . 6_565 ?
C5A C1A C8A C8A -2.1(4) . . . 6_565 ?
C5A C1A C8A C8A -175.6(9) 6_565 . . 6_565 ?
Sc1A C1A C8A C8A 60.5(5) . . . 6_565 ?
Sc1A C1A C8A C8A 74.7(5) 6_565 . . 6_565 ?
C8A C1A C8A C4A -149.3(4) 6_565 . . 6_565 ?
C2A C1A C8A C4A -32.2(7) . . . 6_565 ?
C5A C1A C8A C4A -151.4(6) . . . 6_565 ?
C5A C1A C8A C4A 35.1(10) 6_565 . . 6_565 ?
Sc1A C1A C8A C4A -88.8(5) . . . 6_565 ?
Sc1A C1A C8A C4A -74.6(5) 6_565 . . 6_565 ?
C8A C1A C8A Sc1A -74.7(5) 6_565 . . 6_565 ?
C2A C1A C8A Sc1A 42.4(5) . . . 6_565 ?
C5A C1A C8A Sc1A -76.8(5) . . . 6_565 ?
C5A C1A C8A Sc1A 109.7(12) 6_565 . . 6_565 ?
Sc1A C1A C8A Sc1A -14.15(13) . . . 6_565 ?
C8A C1A C8A Sc1A -60.5(5) 6_565 . . . ?
C2A C1A C8A Sc1A 56.6(5) . . . . ?
C5A C1A C8A Sc1A -62.6(5) . . . . ?
C5A C1A C8A Sc1A 123.9(12) 6_565 . . . ?
Sc1A C1A C8A Sc1A 14.15(13) 6_565 . . . ?
C5A C8A C9A C4A 36.3(14) 6_565 . . 6_565 ?
C6A C8A C9A C4A 169.9(12) 6_565 . . 6_565 ?
C7A C8A C9A C4A -163.0(11) . . . 6_565 ?
C1A C8A C9A C4A -17.3(13) . . . 6_565 ?
C7A C8A C9A C4A -153.4(11) 6_565 . . 6_565 ?
C8A C8A C9A C4A -80.2(10) 6_565 . . 6_565 ?
Sc1A C8A C9A C4A -90.1(9) 6_565 . . 6_565 ?
Sc1A C8A C9A C4A -88.4(9) . . . 6_565 ?
C6A C8A C9A C5A 133.6(18) 6_565 . . 6_565 ?
C7A C8A C9A C5A 160.7(18) . . . 6_565 ?
C1A C8A C9A C5A -53.7(12) . . . 6_565 ?
C7A C8A C9A C5A 170.3(19) 6_565 . . 6_565 ?
C8A C8A C9A C5A -116.6(14) 6_565 . . 6_565 ?
C4A C8A C9A C5A -36.3(14) 6_565 . . 6_565 ?
Sc1A C8A C9A C5A -126.5(14) 6_565 . . 6_565 ?
Sc1A C8A C9A C5A -124.7(14) . . . 6_565 ?
C5A C8A C9A C43A 94(5) 6_565 . . 6_565 ?
C6A C8A C9A C43A -133(4) 6_565 . . 6_565 ?
C7A C8A C9A C43A -106(4) . . . 6_565 ?
C1A C8A C9A C43A 40(5) . . . 6_565 ?
C7A C8A C9A C43A -96(4) 6_565 . . 6_565 ?
C8A C8A C9A C43A -23(5) 6_565 . . 6_565 ?
C4A C8A C9A C43A 57(4) 6_565 . . 6_565 ?
Sc1A C8A C9A C43A -33(4) 6_565 . . 6_565 ?
Sc1A C8A C9A C43A -31(4) . . . 6_565 ?
C5A C8A C9A C58A 62.7(15) 6_565 . . . ?
C6A C8A C9A C58A -163.7(11) 6_565 . . . ?
C7A C8A C9A C58A -136.6(9) . . . . ?
C1A C8A C9A C58A 9.1(13) . . . . ?
C7A C8A C9A C58A -127.0(10) 6_565 . . . ?
C8A C8A C9A C58A -53.9(12) 6_565 . . . ?
C4A C8A C9A C58A 26.4(8) 6_565 . . . ?
Sc1A C8A C9A C58A -63.7(8) 6_565 . . . ?
Sc1A C8A C9A C58A -62.0(8) . . . . ?
C5A C8A C9A C10A -146.9(16) 6_565 . . . ?
C6A C8A C9A C10A -13.3(15) 6_565 . . . ?
C7A C8A C9A C10A 13.8(16) . . . . ?
C1A C8A C9A C10A 159.4(10) . . . . ?
C7A C8A C9A C10A 23.4(17) 6_565 . . . ?
C8A C8A C9A C10A 96.5(12) 6_565 . . . ?
C4A C8A C9A C10A 176.8(16) 6_565 . . . ?
Sc1A C8A C9A C10A 86.6(10) 6_565 . . . ?
Sc1A C8A C9A C10A 88.4(10) . . . . ?
C5A C8A C9A C6A -133.6(18) 6_565 . . 6_565 ?
C7A C8A C9A C6A 27.1(8) . . . 6_565 ?
C1A C8A C9A C6A 172.7(16) . . . 6_565 ?
C7A C8A C9A C6A 36.7(9) 6_565 . . 6_565 ?
C8A C8A C9A C6A 109.8(12) 6_565 . . 6_565 ?
C4A C8A C9A C6A -169.9(12) 6_565 . . 6_565 ?
Sc1A C8A C9A C6A 99.9(10) 6_565 . . 6_565 ?
Sc1A C8A C9A C6A 101.7(10) . . . 6_565 ?
C5A C8A C9A C44A -151.5(17) 6_565 . . 6_565 ?
C6A C8A C9A C44A -17.9(16) 6_565 . . 6_565 ?
C7A C8A C9A C44A 9.2(17) . . . 6_565 ?
C1A C8A C9A C44A 154.9(10) . . . 6_565 ?
C7A C8A C9A C44A 18.8(18) 6_565 . . 6_565 ?
C8A C8A C9A C44A 92.0(13) 6_565 . . 6_565 ?
C4A C8A C9A C44A 172.2(17) 6_565 . . 6_565 ?
Sc1A C8A C9A C44A 82.1(11) 6_565 . . 6_565 ?
Sc1A C8A C9A C44A 83.8(11) . . . 6_565 ?
C5A C8A C9A C56A -144.8(14) 6_565 . . 6_565 ?
C6A C8A C9A C56A -11.1(10) 6_565 . . 6_565 ?
C7A C8A C9A C56A 16.0(11) . . . 6_565 ?
C1A C8A C9A C56A 161.6(9) . . . 6_565 ?
C7A C8A C9A C56A 25.5(12) 6_565 . . 6_565 ?
C8A C8A C9A C56A 98.7(8) 6_565 . . 6_565 ?
C4A C8A C9A C56A 178.9(11) 6_565 . . 6_565 ?
Sc1A C8A C9A C56A 88.8(6) 6_565 . . 6_565 ?
Sc1A C8A C9A C56A 90.5(6) . . . 6_565 ?
C5A C8A C9A Sc1A 126.5(14) 6_565 . . 6_565 ?
C6A C8A C9A Sc1A -99.9(10) 6_565 . . 6_565 ?
C7A C8A C9A Sc1A -72.8(9) . . . 6_565 ?
C1A C8A C9A Sc1A 72.8(8) . . . 6_565 ?
C7A C8A C9A Sc1A -63.2(10) 6_565 . . 6_565 ?
C8A C8A C9A Sc1A 9.9(7) 6_565 . . 6_565 ?
C4A C8A C9A Sc1A 90.1(9) 6_565 . . 6_565 ?
Sc1A C8A C9A Sc1A 1.74(13) . . . 6_565 ?
C5A C8A C9A Sc1A 124.7(14) 6_565 . . . ?
C6A C8A C9A Sc1A -101.7(10) 6_565 . . . ?
C7A C8A C9A Sc1A -74.6(9) . . . . ?
C1A C8A C9A Sc1A 71.1(8) . . . . ?
C7A C8A C9A Sc1A -65.0(10) 6_565 . . . ?
C8A C8A C9A Sc1A 8.2(6) 6_565 . . . ?
C4A C8A C9A Sc1A 88.4(9) 6_565 . . . ?
Sc1A C8A C9A Sc1A -1.74(13) 6_565 . . . ?
C4A C9A C10A C44A 6(5) 6_565 . . 6_565 ?
C5A C9A C10A C44A 167(3) 6_565 . . 6_565 ?
C43A C9A C10A C44A 0(3) 6_565 . . 6_565 ?
C8A C9A C10A C44A -169(3) . . . 6_565 ?
C58A C9A C10A C44A -19(4) . . . 6_565 ?
C6A C9A C10A C44A -177(4) 6_565 . . 6_565 ?
C56A C9A C10A C44A -173(5) 6_565 . . 6_565 ?
Sc1A C9A C10A C44A -100(3) 6_565 . . 6_565 ?
Sc1A C9A C10A C44A -107(3) . . . 6_565 ?
C4A C9A C10A C56A 178.8(19) 6_565 . . 6_565 ?
C5A C9A C10A C56A -20(3) 6_565 . . 6_565 ?
C43A C9A C10A C56A 173.2(19) 6_565 . . 6_565 ?
C8A C9A C10A C56A 4(2) . . . 6_565 ?
C58A C9A C10A C56A 154.1(15) . . . 6_565 ?
C6A C9A C10A C56A -3.8(16) 6_565 . . 6_565 ?
C44A C9A C10A C56A 173(5) 6_565 . . 6_565 ?
Sc1A C9A C10A C56A 73.1(17) 6_565 . . 6_565 ?
Sc1A C9A C10A C56A 65.7(17) . . . 6_565 ?
C4A C9A C10A C70A 28(3) 6_565 . . . ?
C5A C9A C10A C70A -170.2(13) 6_565 . . . ?
C43A C9A C10A C70A 22.8(11) 6_565 . . . ?
C8A C9A C10A C70A -146.3(10) . . . . ?
C58A C9A C10A C70A 3.7(16) . . . . ?
C6A C9A C10A C70A -154.2(12) 6_565 . . . ?
C44A C9A C10A C70A 23(3) 6_565 . . . ?
C56A C9A C10A C70A -150(2) 6_565 . . . ?
Sc1A C9A C10A C70A -77.4(11) 6_565 . . . ?
Sc1A C9A C10A C70A -84.8(11) . . . . ?
C4A C9A C10A C11A 161.6(16) 6_565 . . . ?
C5A C9A C10A C11A -37(2) 6_565 . . . ?
C43A C9A C10A C11A 156.0(16) 6_565 . . . ?
C8A C9A C10A C11A -13.1(19) . . . . ?
C58A C9A C10A C11A 136.9(12) . . . . ?
C6A C9A C10A C11A -21.0(13) 6_565 . . . ?
C44A C9A C10A C11A 156(5) 6_565 . . . ?
C56A C9A C10A C11A -17.2(11) 6_565 . . . ?
Sc1A C9A C10A C11A 55.9(15) 6_565 . . . ?
Sc1A C9A C10A C11A 48.5(15) . . . . ?
C4A C9A C10A C43A 5.6(19) 6_565 . . 6_565 ?
C5A C9A C10A C43A 167.1(16) 6_565 . . 6_565 ?
C8A C9A C10A C43A -169.1(11) . . . 6_565 ?
C58A C9A C10A C43A -19.1(9) . . . 6_565 ?
C6A C9A C10A C43A -177.0(9) 6_565 . . 6_565 ?
C44A C9A C10A C43A 0(3) 6_565 . . 6_565 ?
C56A C9A C10A C43A -173.2(19) 6_565 . . 6_565 ?
Sc1A C9A C10A C43A -100.1(7) 6_565 . . 6_565 ?
Sc1A C9A C10A C43A -107.5(7) . . . 6_565 ?
C4A C9A C10A C45A 34(3) 6_565 . . 6_565 ?
C5A C9A C10A C45A -164.7(13) 6_565 . . 6_565 ?
C43A C9A C10A C45A 28.2(13) 6_565 . . 6_565 ?
C8A C9A C10A C45A -140.8(13) . . . 6_565 ?
C58A C9A C10A C45A 9.1(18) . . . 6_565 ?
C6A C9A C10A C45A -148.7(15) 6_565 . . 6_565 ?
C44A C9A C10A C45A 28(3) 6_565 . . 6_565 ?
C56A C9A C10A C45A -145(3) 6_565 . . 6_565 ?
Sc1A C9A C10A C45A -71.9(14) 6_565 . . 6_565 ?
Sc1A C9A C10A C45A -79.3(13) . . . 6_565 ?
C4A C9A C10A C6A -177(2) 6_565 . . 6_565 ?
C5A C9A C10A C6A -16.0(13) 6_565 . . 6_565 ?
C43A C9A C10A C6A 177.0(9) 6_565 . . 6_565 ?
C8A C9A C10A C6A 7.9(9) . . . 6_565 ?
C58A C9A C10A C6A 157.9(10) . . . 6_565 ?
C44A C9A C10A C6A 177(4) 6_565 . . 6_565 ?
C56A C9A C10A C6A 3.8(16) 6_565 . . 6_565 ?
Sc1A C9A C10A C6A 76.8(6) 6_565 . . 6_565 ?
Sc1A C9A C10A C6A 69.4(5) . . . 6_565 ?
C4A C9A C10A Sc1A 106(2) 6_565 . . 6_565 ?
C5A C9A C10A Sc1A -92.8(14) 6_565 . . 6_565 ?
C43A C9A C10A Sc1A 100.1(7) 6_565 . . 6_565 ?
C8A C9A C10A Sc1A -68.9(8) . . . 6_565 ?
C58A C9A C10A Sc1A 81.0(8) . . . 6_565 ?
C6A C9A C10A Sc1A -76.8(6) 6_565 . . 6_565 ?
C44A C9A C10A Sc1A 100(3) 6_565 . . 6_565 ?
C56A C9A C10A Sc1A -73.1(17) 6_565 . . 6_565 ?
Sc1A C9A C10A Sc1A -7.40(9) . . . 6_565 ?
C44A C10A C11A C55A 35(11) 6_565 . . 6_565 ?
C56A C10A C11A C55A -148(9) 6_565 . . 6_565 ?
C70A C10A C11A C55A 23(9) . . . 6_565 ?
C9A C10A C11A C55A -113(8) . . . 6_565 ?
C43A C10A C11A C55A -56(9) 6_565 . . 6_565 ?
C45A C10A C11A C55A 28(9) 6_565 . . 6_565 ?
C6A C10A C11A C55A -130(8) 6_565 . . 6_565 ?
Sc1A C10A C11A C55A -74(8) 6_565 . . 6_565 ?
C44A C10A C11A C56A -177(7) 6_565 . . 6_565 ?
C70A C10A C11A C56A 171(3) . . . 6_565 ?
C9A C10A C11A C56A 34(2) . . . 6_565 ?
C43A C10A C11A C56A 92(3) 6_565 . . 6_565 ?
C45A C10A C11A C56A 176(3) 6_565 . . 6_565 ?
C6A C10A C11A C56A 17(2) 6_565 . . 6_565 ?
Sc1A C10A C11A C56A 74(2) 6_565 . . 6_565 ?
C44A C10A C11A C16A 4(5) 6_565 . . . ?
C56A C10A C11A C16A -179(3) 6_565 . . . ?
C70A C10A C11A C16A -7.9(17) . . . . ?
C9A C10A C11A C16A -144.7(13) . . . . ?
C43A C10A C11A C16A -87(2) 6_565 . . . ?
C45A C10A C11A C16A -3.1(14) 6_565 . . . ?
C6A C10A C11A C16A -161.8(9) 6_565 . . . ?
Sc1A C10A C11A C16A -105.2(8) 6_565 . . . ?
C44A C10A C11A C12A 152(5) 6_565 . . . ?
C56A C10A C11A C12A -31(3) 6_565 . . . ?
C70A C10A C11A C12A 139.9(11) . . . . ?
C9A C10A C11A C12A 3.1(19) . . . . ?
C43A C10A C11A C12A 61(3) 6_565 . . . ?
C45A C10A C11A C12A 144.7(10) 6_565 . . . ?
C6A C10A C11A C12A -14.0(10) 6_565 . . . ?
Sc1A C10A C11A C12A 42.6(9) 6_565 . . . ?
C44A C10A C11A C51A 9(6) 6_565 . . 6_565 ?
C56A C10A C11A C51A -174(3) 6_565 . . 6_565 ?
C70A C10A C11A C51A -3.1(19) . . . 6_565 ?
C9A C10A C11A C51A -139.9(13) . . . 6_565 ?
C43A C10A C11A C51A -82(2) 6_565 . . 6_565 ?
C45A C10A C11A C51A 1.7(16) 6_565 . . 6_565 ?
C6A C10A C11A C51A -157.0(11) 6_565 . . 6_565 ?
Sc1A C10A C11A C51A -100.5(10) 6_565 . . 6_565 ?
C56A C10A C11A C44A 177(7) 6_565 . . 6_565 ?
C70A C10A C11A C44A -12(4) . . . 6_565 ?
C9A C10A C11A C44A -149(6) . . . 6_565 ?
C43A C10A C11A C44A -91(6) 6_565 . . 6_565 ?
C45A C10A C11A C44A -7(4) 6_565 . . 6_565 ?
C6A C10A C11A C44A -166(5) 6_565 . . 6_565 ?
Sc1A C10A C11A C44A -109(5) 6_565 . . 6_565 ?
C44A C10A C11A C13A 120(5) 6_565 . . 6_565 ?
C56A C10A C11A C13A -63(3) 6_565 . . 6_565 ?
C70A C10A C11A C13A 108.2(15) . . . 6_565 ?
C9A C10A C11A C13A -29(3) . . . 6_565 ?
C43A C10A C11A C13A 29(3) 6_565 . . 6_565 ?
C45A C10A C11A C13A 113.0(14) 6_565 . . 6_565 ?
C6A C10A C11A C13A -45.7(17) 6_565 . . 6_565 ?
Sc1A C10A C11A C13A 10.9(16) 6_565 . . 6_565 ?
C44A C10A C11A C6A 166(5) 6_565 . . 6_565 ?
C56A C10A C11A C6A -17(2) 6_565 . . 6_565 ?
C70A C10A C11A C6A 153.9(16) . . . 6_565 ?
C9A C10A C11A C6A 17.1(11) . . . 6_565 ?
C43A C10A C11A C6A 75(2) 6_565 . . 6_565 ?
C45A C10A C11A C6A 158.7(13) 6_565 . . 6_565 ?
Sc1A C10A C11A C6A 56.6(4) 6_565 . . 6_565 ?
C7A C7A C12A C13A -3.3(14) 6_565 . . 6_565 ?
C6A C7A C12A C13A 164.6(14) 6_565 . . 6_565 ?
C8A C7A C12A C13A 144.0(13) . . . 6_565 ?
C6A C7A C12A C13A 7.2(18) . . . 6_565 ?
C12A C7A C12A C13A -3.3(14) 6_565 . . 6_565 ?
C8A C7A C12A C13A 42(2) 6_565 . . 6_565 ?
Sc1A C7A C12A C13A 91.6(13) 6_565 . . 6_565 ?
Sc1A C7A C12A C13A 75.3(13) . . . 6_565 ?
C7A C7A C12A C55A -148.9(17) 6_565 . . 6_565 ?
C6A C7A C12A C55A 19(2) 6_565 . . 6_565 ?
C8A C7A C12A C55A -2(2) . . . 6_565 ?
C6A C7A C12A C55A -138.4(17) . . . 6_565 ?
C12A C7A C12A C55A -148.9(17) 6_565 . . 6_565 ?
C8A C7A C12A C55A -103(2) 6_565 . . 6_565 ?
Sc1A C7A C12A C55A -54.1(18) 6_565 . . 6_565 ?
Sc1A C7A C12A C55A -70.4(18) . . . 6_565 ?
C7A C7A C12A C12A -0.013(12) 6_565 . . 6_565 ?
C6A C7A C12A C12A 167.9(8) 6_565 . . 6_565 ?
C8A C7A C12A C12A 147.3(9) . . . 6_565 ?
C6A C7A C12A C12A 10.5(7) . . . 6_565 ?
C8A C7A C12A C12A 45.6(11) 6_565 . . 6_565 ?
Sc1A C7A C12A C12A 94.8(3) 6_565 . . 6_565 ?
Sc1A C7A C12A C12A 78.5(3) . . . 6_565 ?
C7A C7A C12A C11A -153.7(6) 6_565 . . . ?
C6A C7A C12A C11A 14.2(11) 6_565 . . . ?
C8A C7A C12A C11A -6.4(12) . . . . ?
C6A C7A C12A C11A -143.2(9) . . . . ?
C12A C7A C12A C11A -153.7(6) 6_565 . . . ?
C8A C7A C12A C11A -108.1(13) 6_565 . . . ?
Sc1A C7A C12A C11A -58.8(7) 6_565 . . . ?
Sc1A C7A C12A C11A -75.1(7) . . . . ?
C7A C7A C12A C13A -1.9(8) 6_565 . . . ?
C6A C7A C12A C13A 166.0(10) 6_565 . . . ?
C8A C7A C12A C13A 145.4(9) . . . . ?
C6A C7A C12A C13A 8.6(12) . . . . ?
C12A C7A C12A C13A -1.9(8) 6_565 . . . ?
C8A C7A C12A C13A 43.7(16) 6_565 . . . ?
Sc1A C7A C12A C13A 93.0(7) 6_565 . . . ?
Sc1A C7A C12A C13A 76.7(7) . . . . ?
C7A C7A C12A C56A -159.7(6) 6_565 . . 6_565 ?
C6A C7A C12A C56A 8.2(9) 6_565 . . 6_565 ?
C8A C7A C12A C56A -12.4(11) . . . 6_565 ?
C6A C7A C12A C56A -149.2(11) . . . 6_565 ?
C12A C7A C12A C56A -159.7(6) 6_565 . . 6_565 ?
C8A C7A C12A C56A -114.1(13) 6_565 . . 6_565 ?
Sc1A C7A C12A C56A -64.8(7) 6_565 . . 6_565 ?
Sc1A C7A C12A C56A -81.1(7) . . . 6_565 ?
C6A C7A C12A C7A 167.9(8) 6_565 . . 6_565 ?
C8A C7A C12A C7A 147.3(9) . . . 6_565 ?
C6A C7A C12A C7A 10.5(7) . . . 6_565 ?
C12A C7A C12A C7A 0.013(18) 6_565 . . 6_565 ?
C8A C7A C12A C7A 45.6(11) 6_565 . . 6_565 ?
Sc1A C7A C12A C7A 94.9(3) 6_565 . . 6_565 ?
Sc1A C7A C12A C7A 78.6(3) . . . 6_565 ?
C7A C7A C12A C6A -167.9(8) 6_565 . . 6_565 ?
C8A C7A C12A C6A -20.6(9) . . . 6_565 ?
C6A C7A C12A C6A -157.4(15) . . . 6_565 ?
C12A C7A C12A C6A -167.9(8) 6_565 . . 6_565 ?
C8A C7A C12A C6A -122.3(16) 6_565 . . 6_565 ?
Sc1A C7A C12A C6A -73.1(7) 6_565 . . 6_565 ?
Sc1A C7A C12A C6A -89.4(8) . . . 6_565 ?
C7A C7A C12A Sc1A -94.9(3) 6_565 . . 6_565 ?
C6A C7A C12A Sc1A 73.1(7) 6_565 . . 6_565 ?
C8A C7A C12A Sc1A 52.4(7) . . . 6_565 ?
C6A C7A C12A Sc1A -84.4(8) . . . 6_565 ?
C12A C7A C12A Sc1A -94.8(3) 6_565 . . 6_565 ?
C8A C7A C12A Sc1A -49.3(11) 6_565 . . 6_565 ?
Sc1A C7A C12A Sc1A -16.30(11) . . . 6_565 ?
C55A C11A C12A C13A 14.1(16) 6_565 . . 6_565 ?
C56A C11A C12A C13A -173.9(16) 6_565 . . 6_565 ?
C16A C11A C12A C13A -11.4(12) . . . 6_565 ?
C10A C11A C12A C13A -154.6(12) . . . 6_565 ?
C51A C11A C12A C13A -7.7(11) 6_565 . . 6_565 ?
C44A C11A C12A C13A -146.4(11) 6_565 . . 6_565 ?
C6A C11A C12A C13A -170.5(9) 6_565 . . 6_565 ?
C56A C11A C12A C55A 172(3) 6_565 . . 6_565 ?
C16A C11A C12A C55A -25.5(15) . . . 6_565 ?
C10A C11A C12A C55A -169(2) . . . 6_565 ?
C51A C11A C12A C55A -21.7(12) 6_565 . . 6_565 ?
C44A C11A C12A C55A -161(2) 6_565 . . 6_565 ?
C13A C11A C12A C55A -14.1(16) 6_565 . . 6_565 ?
C6A C11A C12A C55A 175.5(17) 6_565 . . 6_565 ?
C55A C11A C12A C12A 73(2) 6_565 . . 6_565 ?
C56A C11A C12A C12A -114.7(15) 6_565 . . 6_565 ?
C16A C11A C12A C12A 47.8(15) . . . 6_565 ?
C10A C11A C12A C12A -95.4(13) . . . 6_565 ?
C51A C11A C12A C12A 51.6(14) 6_565 . . 6_565 ?
C44A C11A C12A C12A -87.2(12) 6_565 . . 6_565 ?
C13A C11A C12A C12A 59.2(9) 6_565 . . 6_565 ?
C6A C11A C12A C12A -111.2(10) 6_565 . . 6_565 ?
C55A C11A C12A C7A 175.5(16) 6_565 . . . ?
C56A C11A C12A C7A -12.5(17) 6_565 . . . ?
C16A C11A C12A C7A 150.0(10) . . . . ?
C10A C11A C12A C7A 6.8(14) . . . . ?
C51A C11A C12A C7A 153.8(9) 6_565 . . . ?
C44A C11A C12A C7A 15.0(14) 6_565 . . . ?
C13A C11A C12A C7A 161.4(11) 6_565 . . . ?
C6A C11A C12A C7A -9.1(7) 6_565 . . . ?
C55A C11A C12A C13A 23.7(18) 6_565 . . . ?
C56A C11A C12A C13A -164.3(15) 6_565 . . . ?
C16A C11A C12A C13A -1.8(13) . . . . ?
C10A C11A C12A C13A -145.0(11) . . . . ?
C51A C11A C12A C13A 2.0(12) 6_565 . . . ?
C44A C11A C12A C13A -136.8(10) 6_565 . . . ?
C13A C11A C12A C13A 9.6(3) 6_565 . . . ?
C6A C11A C12A C13A -160.8(9) 6_565 . . . ?
C55A C11A C12A C56A -172(3) 6_565 . . 6_565 ?
C16A C11A C12A C56A 163(2) . . . 6_565 ?
C10A C11A C12A C56A 19.3(17) . . . 6_565 ?
C51A C11A C12A C56A 166(2) 6_565 . . 6_565 ?
C44A C11A C12A C56A 27.4(13) 6_565 . . 6_565 ?
C13A C11A C12A C56A 173.9(16) 6_565 . . 6_565 ?
C6A C11A C12A C56A 3.4(14) 6_565 . . 6_565 ?
C55A C11A C12A C7A 168.4(16) 6_565 . . 6_565 ?
C56A C11A C12A C7A -19.6(18) 6_565 . . 6_565 ?
C16A C11A C12A C7A 143.0(10) . . . 6_565 ?
C10A C11A C12A C7A -0.3(15) . . . 6_565 ?
C51A C11A C12A C7A 146.7(9) 6_565 . . 6_565 ?
C44A C11A C12A C7A 7.9(16) 6_565 . . 6_565 ?
C13A C11A C12A C7A 154.3(12) 6_565 . . 6_565 ?
C6A C11A C12A C7A -16.1(8) 6_565 . . 6_565 ?
C55A C11A C12A C6A -175.5(17) 6_565 . . 6_565 ?
C56A C11A C12A C6A -3.4(14) 6_565 . . 6_565 ?
C16A C11A C12A C6A 159.1(10) . . . 6_565 ?
C10A C11A C12A C6A 15.9(12) . . . 6_565 ?
C51A C11A C12A C6A 162.8(9) 6_565 . . 6_565 ?
C44A C11A C12A C6A 24.0(11) 6_565 . . 6_565 ?
C13A C11A C12A C6A 170.5(9) 6_565 . . 6_565 ?
C55A C11A C12A Sc1A 127.8(16) 6_565 . . 6_565 ?
C56A C11A C12A Sc1A -60.2(14) 6_565 . . 6_565 ?
C16A C11A C12A Sc1A 102.4(9) . . . 6_565 ?
C10A C11A C12A Sc1A -40.9(10) . . . 6_565 ?
C51A C11A C12A Sc1A 106.1(8) 6_565 . . 6_565 ?
C44A C11A C12A Sc1A -32.7(10) 6_565 . . 6_565 ?
C13A C11A C12A Sc1A 113.7(7) 6_565 . . 6_565 ?
C6A C11A C12A Sc1A -56.7(4) 6_565 . . 6_565 ?
C55A C12A C13A C13A -13.4(7) 6_565 . . 6_565 ?
C12A C12A C13A C13A 179.992(7) 6_565 . . 6_565 ?
C7A C12A C13A C13A -177.7(10) . . . 6_565 ?
C11A C12A C13A C13A -25.6(6) . . . 6_565 ?
C56A C12A C13A C13A -39.0(12) 6_565 . . 6_565 ?
C7A C12A C13A C13A -178.1(8) 6_565 . . 6_565 ?
C6A C12A C13A C13A -157(2) 6_565 . . 6_565 ?
Sc1A C12A C13A C13A -114.8(6) 6_565 . . 6_565 ?
C13A C12A C13A C12A -179.992(9) 6_565 . . 6_565 ?
C55A C12A C13A C12A 166.6(7) 6_565 . . 6_565 ?
C7A C12A C13A C12A 2.3(10) . . . 6_565 ?
C11A C12A C13A C12A 154.4(6) . . . 6_565 ?
C56A C12A C13A C12A 141.0(12) 6_565 . . 6_565 ?
C7A C12A C13A C12A 1.9(8) 6_565 . . 6_565 ?
C6A C12A C13A C12A 23(2) 6_565 . . 6_565 ?
Sc1A C12A C13A C12A 65.2(6) 6_565 . . 6_565 ?
C13A C12A C13A C14A 25.8(12) 6_565 . . . ?
C55A C12A C13A C14A 12.4(11) 6_565 . . . ?
C12A C12A C13A C14A -154.2(12) 6_565 . . . ?
C7A C12A C13A C14A -151.8(9) . . . . ?
C11A C12A C13A C14A 0.2(13) . . . . ?
C56A C12A C13A C14A -13(2) 6_565 . . . ?
C7A C12A C13A C14A -152.2(9) 6_565 . . . ?
C6A C12A C13A C14A -131.1(15) 6_565 . . . ?
Sc1A C12A C13A C14A -89.0(9) 6_565 . . . ?
C13A C12A C13A C55A 165.1(7) 6_565 . . . ?
C55A C12A C13A C55A 151.7(14) 6_565 . . . ?
C12A C12A C13A C55A -14.9(7) 6_565 . . . ?
C7A C12A C13A C55A -12.6(13) . . . . ?
C11A C12A C13A C55A 139.5(9) . . . . ?
C56A C12A C13A C55A 126.1(15) 6_565 . . . ?
C7A C12A C13A C55A -13.0(12) 6_565 . . . ?
C6A C12A C13A C55A 8(2) 6_565 . . . ?
Sc1A C12A C13A C55A 50.3(10) 6_565 . . . ?
C13A C12A C13A C55A 13.4(7) 6_565 . . 6_565 ?
C12A C12A C13A C55A -166.6(7) 6_565 . . 6_565 ?
C7A C12A C13A C55A -164.2(11) . . . 6_565 ?
C11A C12A C13A C55A -12.2(9) . . . 6_565 ?
C56A C12A C13A C55A -25.5(14) 6_565 . . 6_565 ?
C7A C12A C13A C55A -164.7(10) 6_565 . . 6_565 ?
C6A C12A C13A C55A -144(2) 6_565 . . 6_565 ?
Sc1A C12A C13A C55A -101.4(7) 6_565 . . 6_565 ?
C13A C12A C13A C11A 163.2(4) 6_565 . . 6_565 ?
C55A C12A C13A C11A 149.8(7) 6_565 . . 6_565 ?
C12A C12A C13A C11A -16.8(4) 6_565 . . 6_565 ?
C7A C12A C13A C11A -14.4(10) . . . 6_565 ?
C11A C12A C13A C11A 137.6(9) . . . 6_565 ?
C56A C12A C13A C11A 124.3(14) 6_565 . . 6_565 ?
C7A C12A C13A C11A -14.8(8) 6_565 . . 6_565 ?
C6A C12A C13A C11A 6(2) 6_565 . . 6_565 ?
Sc1A C12A C13A C11A 48.4(6) 6_565 . . 6_565 ?
C12A C13A C14A C13A -108(3) 6_565 . . 6_565 ?
C55A C13A C14A C13A -163.4(8) . . . 6_565 ?
C12A C13A C14A C13A -19.6(9) . . . 6_565 ?
C55A C13A C14A C13A -11.2(5) 6_565 . . 6_565 ?
C11A C13A C14A C13A -151.1(6) 6_565 . . 6_565 ?
C13A C13A C14A C52A 161.6(10) 6_565 . . . ?
C12A C13A C14A C52A 53(3) 6_565 . . . ?
C55A C13A C14A C52A -1.8(13) . . . . ?
C12A C13A C14A C52A 142.0(11) . . . . ?
C55A C13A C14A C52A 150.4(11) 6_565 . . . ?
C11A C13A C14A C52A 10.4(13) 6_565 . . . ?
C13A C13A C14A C52A 24.4(13) 6_565 . . 6_565 ?
C12A C13A C14A C52A -84(3) 6_565 . . 6_565 ?
C55A C13A C14A C52A -139.1(15) . . . 6_565 ?
C12A C13A C14A C52A 4.8(18) . . . 6_565 ?
C55A C13A C14A C52A 13.2(14) 6_565 . . 6_565 ?
C11A C13A C14A C52A -126.8(13) 6_565 . . 6_565 ?
C13A C13A C14A C15A 162.3(7) 6_565 . . 6_565 ?
C12A C13A C14A C15A 54(3) 6_565 . . 6_565 ?
C55A C13A C14A C15A -1.1(11) . . . 6_565 ?
C12A C13A C14A C15A 142.8(10) . . . 6_565 ?
C55A C13A C14A C15A 151.2(8) 6_565 . . 6_565 ?
C11A C13A C14A C15A 11.2(10) 6_565 . . 6_565 ?
C13A C13A C14A C15A 20.3(8) 6_565 . . . ?
C12A C13A C14A C15A -88(3) 6_565 . . . ?
C55A C13A C14A C15A -143.1(10) . . . . ?
C12A C13A C14A C15A 0.8(14) . . . . ?
C55A C13A C14A C15A 9.2(10) 6_565 . . . ?
C11A C13A C14A C15A -130.8(9) 6_565 . . . ?
C13A C14A C15A C52A 168(5) . . . 6_565 ?
C13A C14A C15A C52A 177(5) 6_565 . . 6_565 ?
C52A C14A C15A C52A 31(4) . . . 6_565 ?
C15A C14A C15A C52A 42(6) 6_565 . . 6_565 ?
C13A C14A C15A C51A -7(3) . . . 6_565 ?
C13A C14A C15A C51A 2(2) 6_565 . . 6_565 ?
C52A C14A C15A C51A -145(2) . . . 6_565 ?
C52A C14A C15A C51A -175(6) 6_565 . . 6_565 ?
C15A C14A C15A C51A -133.5(15) 6_565 . . 6_565 ?
C13A C14A C15A C20A 152.3(11) . . . . ?
C13A C14A C15A C20A 161.2(11) 6_565 . . . ?
C52A C14A C15A C20A 14.6(13) . . . . ?
C52A C14A C15A C20A -16(4) 6_565 . . . ?
C15A C14A C15A C20A 26(2) 6_565 . . . ?
C13A C14A C15A C16A -0.4(16) . . . . ?
C13A C14A C15A C16A 8.4(13) 6_565 . . . ?
C52A C14A C15A C16A -138.1(14) . . . . ?
C52A C14A C15A C16A -169(5) 6_565 . . . ?
C15A C14A C15A C16A -127.0(10) 6_565 . . . ?
C13A C14A C15A C53A 148.5(9) . . . 6_565 ?
C13A C14A C15A C53A 157.3(9) 6_565 . . 6_565 ?
C52A C14A C15A C53A 10.8(11) . . . 6_565 ?
C52A C14A C15A C53A -20(4) 6_565 . . 6_565 ?
C15A C14A C15A C53A 21.8(19) 6_565 . . 6_565 ?
C13A C14A C15A C55A -9.6(11) . . . 6_565 ?
C13A C14A C15A C55A -0.8(8) 6_565 . . 6_565 ?
C52A C14A C15A C55A -147.3(12) . . . 6_565 ?
C52A C14A C15A C55A -178(5) 6_565 . . 6_565 ?
C15A C14A C15A C55A -136.2(11) 6_565 . . 6_565 ?
C13A C14A C15A Sc3A 99.9(8) . . . . ?
C13A C14A C15A Sc3A 108.7(6) 6_565 . . . ?
C52A C14A C15A Sc3A -37.8(9) . . . . ?
C52A C14A C15A Sc3A -69(5) 6_565 . . . ?
C15A C14A C15A Sc3A -26.7(14) 6_565 . . . ?
C55A C11A C16A C51A -11(4) 6_565 . . 6_565 ?
C56A C11A C16A C51A 161(5) 6_565 . . 6_565 ?
C10A C11A C16A C51A 162(4) . . . 6_565 ?
C12A C11A C16A C51A 15(5) . . . 6_565 ?
C44A C11A C16A C51A 163(5) 6_565 . . 6_565 ?
C13A C11A C16A C51A 8(5) 6_565 . . 6_565 ?
C6A C11A C16A C51A 90(5) 6_565 . . 6_565 ?
C56A C11A C16A C55A 172(4) 6_565 . . 6_565 ?
C10A C11A C16A C55A 173(2) . . . 6_565 ?
C12A C11A C16A C55A 26.0(15) . . . 6_565 ?
C51A C11A C16A C55A 11(4) 6_565 . . 6_565 ?
C44A C11A C16A C55A 174(2) 6_565 . . 6_565 ?
C13A C11A C16A C55A 19.3(15) 6_565 . . 6_565 ?
C6A C11A C16A C55A 101(3) 6_565 . . 6_565 ?
C55A C11A C16A C50A -166(3) 6_565 . . 6_565 ?
C56A C11A C16A C50A 6(4) 6_565 . . 6_565 ?
C10A C11A C16A C50A 7(2) . . . 6_565 ?
C12A C11A C16A C50A -139.8(18) . . . 6_565 ?
C51A C11A C16A C50A -155(6) 6_565 . . 6_565 ?
C44A C11A C16A C50A 8(2) 6_565 . . 6_565 ?
C13A C11A C16A C50A -147(2) 6_565 . . 6_565 ?
C6A C11A C16A C50A -65(3) 6_565 . . 6_565 ?
C55A C11A C16A C17A -170(2) 6_565 . . . ?
C56A C11A C16A C17A 2(4) 6_565 . . . ?
C10A C11A C16A C17A 3.4(15) . . . . ?
C12A C11A C16A C17A -143.9(11) . . . . ?
C51A C11A C16A C17A -159(5) 6_565 . . . ?
C44A C11A C16A C17A 4.3(12) 6_565 . . . ?
C13A C11A C16A C17A -150.6(11) 6_565 . . . ?
C6A C11A C16A C17A -69(3) 6_565 . . . ?
C55A C11A C16A C15A -23.8(18) 6_565 . . . ?
C56A C11A C16A C15A 148(3) 6_565 . . . ?
C10A C11A C16A C15A 149.5(14) . . . . ?
C12A C11A C16A C15A 2.2(17) . . . . ?
C51A C11A C16A C15A -13(4) 6_565 . . . ?
C44A C11A C16A C15A 150.4(13) 6_565 . . . ?
C13A C11A C16A C15A -4.6(12) 6_565 . . . ?
C6A C11A C16A C15A 77(3) 6_565 . . . ?
C55A C11A C16A C52A -26.3(18) 6_565 . . 6_565 ?
C56A C11A C16A C52A 146(3) 6_565 . . 6_565 ?
C10A C11A C16A C52A 147.0(14) . . . 6_565 ?
C12A C11A C16A C52A -0.2(17) . . . 6_565 ?
C51A C11A C16A C52A -15(4) 6_565 . . 6_565 ?
C44A C11A C16A C52A 147.9(13) 6_565 . . 6_565 ?
C13A C11A C16A C52A -7.0(13) 6_565 . . 6_565 ?
C6A C11A C16A C52A 75(3) 6_565 . . 6_565 ?
C52A C15A C16A C51A -164(20) 6_565 . . 6_565 ?
C20A C15A C16A C51A 86(10) . . . 6_565 ?
C14A C15A C16A C51A -122(10) . . . 6_565 ?
C53A C15A C16A C51A 103(10) 6_565 . . 6_565 ?
C55A C15A C16A C51A -108(10) 6_565 . . 6_565 ?
Sc3A C15A C16A C51A 142(10) . . . 6_565 ?
C52A C15A C16A C55A -56(14) 6_565 . . 6_565 ?
C51A C15A C16A C55A 108(10) 6_565 . . 6_565 ?
C20A C15A C16A C55A -166.3(14) . . . 6_565 ?
C14A C15A C16A C55A -14.0(15) . . . 6_565 ?
C53A C15A C16A C55A -149.2(17) 6_565 . . 6_565 ?
Sc3A C15A C16A C55A -110.7(11) . . . 6_565 ?
C52A C15A C16A C50A 107(14) 6_565 . . 6_565 ?
C51A C15A C16A C50A -89(9) 6_565 . . 6_565 ?
C20A C15A C16A C50A -2.7(18) . . . 6_565 ?
C14A C15A C16A C50A 149.6(15) . . . 6_565 ?
C53A C15A C16A C50A 14(2) 6_565 . . 6_565 ?
C55A C15A C16A C50A 164(2) 6_565 . . 6_565 ?
Sc3A C15A C16A C50A 52.8(13) . . . 6_565 ?
C52A C15A C16A C11A -43(14) 6_565 . . . ?
C51A C15A C16A C11A 121(10) 6_565 . . . ?
C20A C15A C16A C11A -153.4(12) . . . . ?
C14A C15A C16A C11A -1.1(18) . . . . ?
C53A C15A C16A C11A -136.3(14) 6_565 . . . ?
C55A C15A C16A C11A 12.9(10) 6_565 . . . ?
Sc3A C15A C16A C11A -97.9(11) . . . . ?
C52A C15A C16A C17A 98(14) 6_565 . . . ?
C51A C15A C16A C17A -98(10) 6_565 . . . ?
C20A C15A C16A C17A -11.7(19) . . . . ?
C14A C15A C16A C17A 140.6(13) . . . . ?
C53A C15A C16A C17A 5(2) 6_565 . . . ?
C55A C15A C16A C17A 155(2) 6_565 . . . ?
Sc3A C15A C16A C17A 43.9(13) . . . . ?
C51A C15A C16A C52A 164(20) 6_565 . . 6_565 ?
C20A C15A C16A C52A -110(14) . . . 6_565 ?
C14A C15A C16A C52A 42(13) . . . 6_565 ?
C53A C15A C16A C52A -93(14) 6_565 . . 6_565 ?
C55A C15A C16A C52A 56(14) 6_565 . . 6_565 ?
Sc3A C15A C16A C52A -54(14) . . . 6_565 ?
C51A C16A C17A C50A 11(5) 6_565 . . 6_565 ?
C55A C16A C17A C50A 163(4) 6_565 . . 6_565 ?
C11A C16A C17A C50A 171(4) . . . 6_565 ?
C15A C16A C17A C50A 25(4) . . . 6_565 ?
C52A C16A C17A C50A 28(4) 6_565 . . 6_565 ?
C51A C16A C17A C45A -162(5) 6_565 . . 6_565 ?
C55A C16A C17A C45A -11(4) 6_565 . . 6_565 ?
C50A C16A C17A C45A -173(6) 6_565 . . 6_565 ?
C11A C16A C17A C45A -2(3) . . . 6_565 ?
C15A C16A C17A C45A -149(2) . . . 6_565 ?
C52A C16A C17A C45A -145(3) 6_565 . . 6_565 ?
C51A C16A C17A C70A -158(4) 6_565 . . . ?
C55A C16A C17A C70A -6(3) 6_565 . . . ?
C50A C16A C17A C70A -169(5) 6_565 . . . ?
C11A C16A C17A C70A 2.2(15) . . . . ?
C15A C16A C17A C70A -144.5(13) . . . . ?
C52A C16A C17A C70A -140.9(14) 6_565 . . . ?
C51A C16A C17A C18A -12(4) 6_565 . . . ?
C55A C16A C17A C18A 140(2) 6_565 . . . ?
C50A C16A C17A C18A -23(3) 6_565 . . . ?
C11A C16A C17A C18A 148.8(13) . . . . ?
C15A C16A C17A C18A 2(2) . . . . ?
C52A C16A C17A C18A 6(2) 6_565 . . . ?
C51A C16A C17A C49A -9(4) 6_565 . . 6_565 ?
C55A C16A C17A C49A 143(2) 6_565 . . 6_565 ?
C50A C16A C17A C49A -19(3) 6_565 . . 6_565 ?
C11A C16A C17A C49A 151.9(12) . . . 6_565 ?
C15A C16A C17A C49A 5.2(18) . . . 6_565 ?
C52A C16A C17A C49A 8.8(18) 6_565 . . 6_565 ?
C55A C16A C17A C51A 152(6) 6_565 . . 6_565 ?
C50A C16A C17A C51A -11(5) 6_565 . . 6_565 ?
C11A C16A C17A C51A 160(5) . . . 6_565 ?
C15A C16A C17A C51A 14(3) . . . 6_565 ?
C52A C16A C17A C51A 17(3) 6_565 . . 6_565 ?
C51A C16A C17A C44A -164(4) 6_565 . . 6_565 ?
C55A C16A C17A C44A -12(2) 6_565 . . 6_565 ?
C50A C16A C17A C44A -175(4) 6_565 . . 6_565 ?
C11A C16A C17A C44A -3.8(11) . . . 6_565 ?
C15A C16A C17A C44A -150.5(13) . . . 6_565 ?
C52A C16A C17A C44A -146.9(14) 6_565 . . 6_565 ?
C50A C17A C18A C49A -14(5) 6_565 . . 6_565 ?
C45A C17A C18A C49A 167(5) 6_565 . . 6_565 ?
C70A C17A C18A C49A 154(4) . . . 6_565 ?
C16A C17A C18A C49A 13(5) . . . 6_565 ?
C51A C17A C18A C49A 10(4) 6_565 . . 6_565 ?
C44A C17A C18A C49A 141(4) 6_565 . . 6_565 ?
C45A C17A C18A C50A -179(6) 6_565 . . 6_565 ?
C70A C17A C18A C50A 168(5) . . . 6_565 ?
C16A C17A C18A C50A 26(3) . . . 6_565 ?
C49A C17A C18A C50A 14(5) 6_565 . . 6_565 ?
C51A C17A C18A C50A 23(3) 6_565 . . 6_565 ?
C44A C17A C18A C50A 155(5) 6_565 . . 6_565 ?
C50A C17A C18A C48A -159(5) 6_565 . . 6_565 ?
C45A C17A C18A C48A 22(3) 6_565 . . 6_565 ?
C70A C17A C18A C48A 9(3) . . . 6_565 ?
C16A C17A C18A C48A -133(2) . . . 6_565 ?
C49A C17A C18A C48A -145(6) 6_565 . . 6_565 ?
C51A C17A C18A C48A -136(2) 6_565 . . 6_565 ?
C44A C17A C18A C48A -4(3) 6_565 . . 6_565 ?
C50A C17A C18A C67A -170(4) 6_565 . . . ?
C45A C17A C18A C67A 11(3) 6_565 . . . ?
C70A C17A C18A C67A -2(2) . . . . ?
C16A C17A C18A C67A -143.5(15) . . . . ?
C49A C17A C18A C67A -156(5) 6_565 . . . ?
C51A C17A C18A C67A -146.6(14) 6_565 . . . ?
C44A C17A C18A C67A -15(3) 6_565 . . . ?
C50A C17A C18A C19A -14(4) 6_565 . . . ?
C45A C17A C18A C19A 167(2) 6_565 . . . ?
C70A C17A C18A C19A 153.6(14) . . . . ?
C16A C17A C18A C19A 12(2) . . . . ?
C49A C17A C18A C19A 0(4) 6_565 . . . ?
C51A C17A C18A C19A 9.1(17) 6_565 . . . ?
C44A C17A C18A C19A 141.0(17) 6_565 . . . ?
C50A C17A C18A C45A 179(6) 6_565 . . 6_565 ?
C70A C17A C18A C45A -13.3(17) . . . 6_565 ?
C16A C17A C18A C45A -155(3) . . . 6_565 ?
C49A C17A C18A C45A -167(5) 6_565 . . 6_565 ?
C51A C17A C18A C45A -158(3) 6_565 . . 6_565 ?
C44A C17A C18A C45A -25.9(14) 6_565 . . 6_565 ?
C50A C17A C18A C54A -29(4) 6_565 . . 6_565 ?
C45A C17A C18A C54A 152(2) 6_565 . . 6_565 ?
C70A C17A C18A C54A 138.5(14) . . . 6_565 ?
C16A C17A C18A C54A -3(2) . . . 6_565 ?
C49A C17A C18A C54A -16(3) 6_565 . . 6_565 ?
C51A C17A C18A C54A -6.0(17) 6_565 . . 6_565 ?
C44A C17A C18A C54A 125.9(16) 6_565 . . 6_565 ?
C50A C17A C18A Sc3A -74(4) 6_565 . . . ?
C45A C17A C18A Sc3A 106(2) 6_565 . . . ?
C70A C17A C18A Sc3A 93.2(13) . . . . ?
C16A C17A C18A Sc3A -48.3(14) . . . . ?
C49A C17A C18A Sc3A -61(4) 6_565 . . . ?
C51A C17A C18A Sc3A -51.4(11) 6_565 . . . ?
C44A C17A C18A Sc3A 80.5(18) 6_565 . . . ?
C49A C18A C19A C54A 79(31) 6_565 . . 6_565 ?
C50A C18A C19A C54A -109(3) 6_565 . . 6_565 ?
C48A C18A C19A C54A 53(3) 6_565 . . 6_565 ?
C17A C18A C19A C54A -104(2) . . . 6_565 ?
C67A C18A C19A C54A 51(3) . . . 6_565 ?
C45A C18A C19A C54A -94(3) 6_565 . . 6_565 ?
Sc3A C18A C19A C54A -20(2) . . . 6_565 ?
C50A C18A C19A C49A 171(32) 6_565 . . 6_565 ?
C48A C18A C19A C49A -27(30) 6_565 . . 6_565 ?
C17A C18A C19A C49A 176(100) . . . 6_565 ?
C67A C18A C19A C49A -28(30) . . . 6_565 ?
C45A C18A C19A C49A -174(32) 6_565 . . 6_565 ?
C54A C18A C19A C49A -79(31) 6_565 . . 6_565 ?
Sc3A C18A C19A C49A -99(31) . . . 6_565 ?
C49A C18A C19A C23A 30(31) 6_565 . . . ?
C50A C18A C19A C23A -159.2(16) 6_565 . . . ?
C48A C18A C19A C23A 2.8(16) 6_565 . . . ?
C17A C18A C19A C23A -154.3(13) . . . . ?
C67A C18A C19A C23A 1.4(18) . . . . ?
C45A C18A C19A C23A -144.3(18) 6_565 . . . ?
C54A C18A C19A C23A -50(2) 6_565 . . . ?
Sc3A C18A C19A C23A -69.7(10) . . . . ?
C49A C18A C19A C20A 167(31) 6_565 . . . ?
C50A C18A C19A C20A -22.1(19) 6_565 . . . ?
C48A C18A C19A C20A 139.9(13) 6_565 . . . ?
C17A C18A C19A C20A -17.1(18) . . . . ?
C67A C18A C19A C20A 138.6(13) . . . . ?
C45A C18A C19A C20A -7(3) 6_565 . . . ?
C54A C18A C19A C20A 87(3) 6_565 . . . ?
Sc3A C18A C19A C20A 67.4(10) . . . . ?
C49A C18A C19A C53A 147(31) 6_565 . . 6_565 ?
C50A C18A C19A C53A -42.3(19) 6_565 . . 6_565 ?
C48A C18A C19A C53A 119.7(13) 6_565 . . 6_565 ?
C17A C18A C19A C53A -37.4(18) . . . 6_565 ?
C67A C18A C19A C53A 118.3(13) . . . 6_565 ?
C45A C18A C19A C53A -27(3) 6_565 . . 6_565 ?
C54A C18A C19A C53A 67(3) 6_565 . . 6_565 ?
Sc3A C18A C19A C53A 47.2(10) . . . 6_565 ?
C49A C18A C19A C27A 45(31) 6_565 . . 6_565 ?
C50A C18A C19A C27A -143.4(15) 6_565 . . 6_565 ?
C48A C18A C19A C27A 18.6(14) 6_565 . . 6_565 ?
C17A C18A C19A C27A -138.4(12) . . . 6_565 ?
C67A C18A C19A C27A 17.3(16) . . . 6_565 ?
C45A C18A C19A C27A -128.5(18) 6_565 . . 6_565 ?
C54A C18A C19A C27A -34(2) 6_565 . . 6_565 ?
Sc3A C18A C19A C27A -53.9(6) . . . 6_565 ?
C49A C18A C19A C50A -171(32) 6_565 . . 6_565 ?
C48A C18A C19A C50A 162(2) 6_565 . . 6_565 ?
C17A C18A C19A C50A 5.0(15) . . . 6_565 ?
C67A C18A C19A C50A 161(2) . . . 6_565 ?
C45A C18A C19A C50A 14.9(15) 6_565 . . 6_565 ?
C54A C18A C19A C50A 109(3) 6_565 . . 6_565 ?
Sc3A C18A C19A C50A 89.5(14) . . . 6_565 ?
C49A C18A C19A Sc3A 99(31) 6_565 . . . ?
C50A C18A C19A Sc3A -89.5(14) 6_565 . . . ?
C48A C18A C19A Sc3A 72.5(11) 6_565 . . . ?
C17A C18A C19A Sc3A -84.6(12) . . . . ?
C67A C18A C19A Sc3A 71.2(12) . . . . ?
C45A C18A C19A Sc3A -75(2) 6_565 . . . ?
C54A C18A C19A Sc3A 20(2) 6_565 . . . ?
C52A C15A C20A C53A -26(4) 6_565 . . 6_565 ?
C51A C15A C20A C53A 148(3) 6_565 . . 6_565 ?
C16A C15A C20A C53A 141(2) . . . 6_565 ?
C14A C15A C20A C53A -11(3) . . . 6_565 ?
C55A C15A C20A C53A 117(3) 6_565 . . 6_565 ?
Sc3A C15A C20A C53A 61(2) . . . 6_565 ?
C51A C15A C20A C52A 174(6) 6_565 . . 6_565 ?
C16A C15A C20A C52A 166(5) . . . 6_565 ?
C14A C15A C20A C52A 14(4) . . . 6_565 ?
C53A C15A C20A C52A 26(4) 6_565 . . 6_565 ?
C55A C15A C20A C52A 143(6) 6_565 . . 6_565 ?
Sc3A C15A C20A C52A 87(4) . . . 6_565 ?
C52A C15A C20A C54A -135(4) 6_565 . . 6_565 ?
C51A C15A C20A C54A 39(3) 6_565 . . 6_565 ?
C16A C15A C20A C54A 32(2) . . . 6_565 ?
C14A C15A C20A C54A -120.5(14) . . . 6_565 ?
C53A C15A C20A C54A -109(3) 6_565 . . 6_565 ?
C55A C15A C20A C54A 8(3) 6_565 . . 6_565 ?
Sc3A C15A C20A C54A -47.9(13) . . . 6_565 ?
C52A C15A C20A C19A -160(4) 6_565 . . . ?
C51A C15A C20A C19A 14(3) 6_565 . . . ?
C16A C15A C20A C19A 6.4(18) . . . . ?
C14A C15A C20A C19A -145.7(12) . . . . ?
C53A C15A C20A C19A -134(3) 6_565 . . . ?
C55A C15A C20A C19A -17(3) 6_565 . . . ?
Sc3A C15A C20A C19A -73.1(10) . . . . ?
C52A C15A C20A C21A -21(5) 6_565 . . . ?
C51A C15A C20A C21A 153(2) 6_565 . . . ?
C16A C15A C20A C21A 145.6(12) . . . . ?
C14A C15A C20A C21A -6.5(17) . . . . ?
C53A C15A C20A C21A 4.9(17) 6_565 . . . ?
C55A C15A C20A C21A 122(2) 6_565 . . . ?
Sc3A C15A C20A C21A 66.1(9) . . . . ?
C52A C15A C20A C51A -174(6) 6_565 . . 6_565 ?
C16A C15A C20A C51A -7.5(19) . . . 6_565 ?
C14A C15A C20A C51A -160(3) . . . 6_565 ?
C53A C15A C20A C51A -148(3) 6_565 . . 6_565 ?
C55A C15A C20A C51A -30.7(18) 6_565 . . 6_565 ?
Sc3A C15A C20A C51A -87(2) . . . 6_565 ?
C52A C15A C20A Sc3A -87(4) 6_565 . . . ?
C51A C15A C20A Sc3A 87(2) 6_565 . . . ?
C16A C15A C20A Sc3A 79.5(12) . . . . ?
C14A C15A C20A Sc3A -72.6(10) . . . . ?
C53A C15A C20A Sc3A -61(2) 6_565 . . . ?
C55A C15A C20A Sc3A 56(3) 6_565 . . . ?
C54A C19A C20A C53A 2(3) 6_565 . . 6_565 ?
C49A C19A C20A C53A -126(3) 6_565 . . 6_565 ?
C23A C19A C20A C53A 15(2) . . . 6_565 ?
C18A C19A C20A C53A -126(2) . . . 6_565 ?
C27A C19A C20A C53A -4(2) 6_565 . . 6_565 ?
C50A C19A C20A C53A -139(2) 6_565 . . 6_565 ?
Sc3A C19A C20A C53A -49(2) . . . 6_565 ?
C54A C19A C20A C52A 128(3) 6_565 . . 6_565 ?
C49A C19A C20A C52A 0(3) 6_565 . . 6_565 ?
C23A C19A C20A C52A 140.7(18) . . . 6_565 ?
C18A C19A C20A C52A -1(2) . . . 6_565 ?
C53A C19A C20A C52A 126(4) 6_565 . . 6_565 ?
C27A C19A C20A C52A 121.7(18) 6_565 . . 6_565 ?
C50A C19A C20A C52A -13.6(19) 6_565 . . 6_565 ?
Sc3A C19A C20A C52A 76.3(18) . . . 6_565 ?
C49A C19A C20A C54A -128(4) 6_565 . . 6_565 ?
C23A C19A C20A C54A 12.9(17) . . . 6_565 ?
C18A C19A C20A C54A -129(3) . . . 6_565 ?
C53A C19A C20A C54A -2(3) 6_565 . . 6_565 ?
C27A C19A C20A C54A -6.1(17) 6_565 . . 6_565 ?
C50A C19A C20A C54A -141(3) 6_565 . . 6_565 ?
Sc3A C19A C20A C54A -51(2) . . . 6_565 ?
C54A C19A C20A C15A 136(2) 6_565 . . . ?
C49A C19A C20A C15A 9(2) 6_565 . . . ?
C23A C19A C20A C15A 149.3(11) . . . . ?
C18A C19A C20A C15A 7.9(17) . . . . ?
C53A C19A C20A C15A 134(3) 6_565 . . . ?
C27A C19A C20A C15A 130.3(10) 6_565 . . . ?
C50A C19A C20A C15A -4.9(13) 6_565 . . . ?
Sc3A C19A C20A C15A 84.9(10) . . . . ?
C54A C19A C20A C21A -8(2) 6_565 . . . ?
C49A C19A C20A C21A -135.8(18) 6_565 . . . ?
C23A C19A C20A C21A 4.8(13) . . . . ?
C18A C19A C20A C21A -136.6(11) . . . . ?
C53A C19A C20A C21A -10.1(18) 6_565 . . . ?
C27A C19A C20A C21A -14.2(12) 6_565 . . . ?
C50A C19A C20A C21A -149.4(11) 6_565 . . . ?
Sc3A C19A C20A C21A -59.5(8) . . . . ?
C54A C19A C20A C51A 142(2) 6_565 . . 6_565 ?
C49A C19A C20A C51A 14(2) 6_565 . . 6_565 ?
C23A C19A C20A C51A 154.9(10) . . . 6_565 ?
C18A C19A C20A C51A 13.5(13) . . . 6_565 ?
C53A C19A C20A C51A 140(3) 6_565 . . 6_565 ?
C27A C19A C20A C51A 135.9(9) 6_565 . . 6_565 ?
C50A C19A C20A C51A 0.6(8) 6_565 . . 6_565 ?
Sc3A C19A C20A C51A 90.5(7) . . . 6_565 ?
C54A C19A C20A Sc3A 51(2) 6_565 . . . ?
C49A C19A C20A Sc3A -76.3(18) 6_565 . . . ?
C23A C19A C20A Sc3A 64.4(8) . . . . ?
C18A C19A C20A Sc3A -77.0(11) . . . . ?
C53A C19A C20A Sc3A 49(2) 6_565 . . . ?
C27A C19A C20A Sc3A 45.4(7) 6_565 . . . ?
C50A C19A C20A Sc3A -89.9(8) 6_565 . . . ?
C53A C20A C21A C21A 19(8) 6_565 . . 6_565 ?
C52A C20A C21A C21A -13.1(19) 6_565 . . 6_565 ?
C54A C20A C21A C21A 133.4(8) 6_565 . . 6_565 ?
C15A C20A C21A C21A -6.7(17) . . . 6_565 ?
C19A C20A C21A C21A 136.9(8) . . . 6_565 ?
C51A C20A C21A C21A 10(2) 6_565 . . 6_565 ?
Sc3A C20A C21A C21A 73.7(9) . . . 6_565 ?
C52A C20A C21A C53A -32(7) 6_565 . . 6_565 ?
C54A C20A C21A C53A 115(8) 6_565 . . 6_565 ?
C15A C20A C21A C53A -26(7) . . . 6_565 ?
C19A C20A C21A C53A 118(8) . . . 6_565 ?
C51A C20A C21A C53A -8(7) 6_565 . . 6_565 ?
Sc3A C20A C21A C53A 55(8) . . . 6_565 ?
C53A C20A C21A C22A -123(8) 6_565 . . . ?
C52A C20A C21A C22A -155.2(12) 6_565 . . . ?
C54A C20A C21A C22A -8.7(11) 6_565 . . . ?
C15A C20A C21A C22A -148.9(10) . . . . ?
C19A C20A C21A C22A -5.2(12) . . . . ?
C51A C20A C21A C22A -131.7(14) 6_565 . . . ?
Sc3A C20A C21A C22A -68.5(6) . . . . ?
C53A C20A C21A C53A 17(7) 6_565 . . . ?
C52A C20A C21A C53A -14.8(15) 6_565 . . . ?
C54A C20A C21A C53A 131.8(11) 6_565 . . . ?
C15A C20A C21A C53A -8.4(15) . . . . ?
C19A C20A C21A C53A 135.2(11) . . . . ?
C51A C20A C21A C53A 8.7(19) 6_565 . . . ?
Sc3A C20A C21A C53A 72.0(8) . . . . ?
C53A C20A C21A C22A -88(8) 6_565 . . 6_565 ?
C52A C20A C21A C22A -120.0(17) 6_565 . . 6_565 ?
C54A C20A C21A C22A 26(2) 6_565 . . 6_565 ?
C15A C20A C21A C22A -113.7(16) . . . 6_565 ?
C19A C20A C21A C22A 30(2) . . . 6_565 ?
C51A C20A C21A C22A -96.6(18) 6_565 . . 6_565 ?
Sc3A C20A C21A C22A -33.3(16) . . . 6_565 ?
C53A C20A C21A C54A -115(8) 6_565 . . 6_565 ?
C52A C20A C21A C54A -146.5(18) 6_565 . . 6_565 ?
C15A C20A C21A C54A -140.2(15) . . . 6_565 ?
C19A C20A C21A C54A 3.5(10) . . . 6_565 ?
C51A C20A C21A C54A -123(2) 6_565 . . 6_565 ?
Sc3A C20A C21A C54A -59.8(8) . . . 6_565 ?
C53A C20A C21A Sc3A -55(8) 6_565 . . . ?
C52A C20A C21A Sc3A -86.7(13) 6_565 . . . ?
C54A C20A C21A Sc3A 59.8(8) 6_565 . . . ?
C15A C20A C21A Sc3A -80.4(11) . . . . ?
C19A C20A C21A Sc3A 63.3(9) . . . . ?
C51A C20A C21A Sc3A -63.3(15) 6_565 . . . ?
C53A C20A C21A Sc3A -42(8) 6_565 . . 6_565 ?
C52A C20A C21A Sc3A -73.8(13) 6_565 . . 6_565 ?
C54A C20A C21A Sc3A 72.7(8) 6_565 . . 6_565 ?
C15A C20A C21A Sc3A -67.5(11) . . . 6_565 ?
C19A C20A C21A Sc3A 76.2(9) . . . 6_565 ?
C51A C20A C21A Sc3A -50.3(15) 6_565 . . 6_565 ?
Sc3A C20A C21A Sc3A 12.94(14) . . . 6_565 ?
C21A C21A C22A C26A -47.3(13) 6_565 . . 6_565 ?
C53A C21A C22A C26A 103.2(16) 6_565 . . 6_565 ?
C20A C21A C22A C26A 110.5(12) . . . 6_565 ?
C53A C21A C22A C26A -30.2(16) . . . 6_565 ?
C22A C21A C22A C26A -47.3(13) 6_565 . . 6_565 ?
C54A C21A C22A C26A 103.4(13) 6_565 . . 6_565 ?
Sc3A C21A C22A C26A 41.6(11) . . . 6_565 ?
Sc3A C21A C22A C26A 19.0(11) 6_565 . . 6_565 ?
C21A C21A C22A C22A -0.004(1) 6_565 . . 6_565 ?
C53A C21A C22A C22A 150.6(14) 6_565 . . 6_565 ?
C20A C21A C22A C22A 157.8(8) . . . 6_565 ?
C53A C21A C22A C22A 17.2(8) . . . 6_565 ?
C54A C21A C22A C22A 150.7(5) 6_565 . . 6_565 ?
Sc3A C21A C22A C22A 88.9(3) . . . 6_565 ?
Sc3A C21A C22A C22A 66.4(2) 6_565 . . 6_565 ?
C21A C21A C22A C27A -125.4(7) 6_565 . . 6_565 ?
C53A C21A C22A C27A 25.1(16) 6_565 . . 6_565 ?
C20A C21A C22A C27A 32.4(12) . . . 6_565 ?
C53A C21A C22A C27A -108.3(11) . . . 6_565 ?
C22A C21A C22A C27A -125.4(7) 6_565 . . 6_565 ?
C54A C21A C22A C27A 25.3(8) 6_565 . . 6_565 ?
Sc3A C21A C22A C27A -36.5(7) . . . 6_565 ?
Sc3A C21A C22A C27A -59.1(8) 6_565 . . 6_565 ?
C21A C21A C22A C23A -154.2(6) 6_565 . . . ?
C53A C21A C22A C23A -3.7(15) 6_565 . . . ?
C20A C21A C22A C23A 3.6(10) . . . . ?
C53A C21A C22A C23A -137.0(9) . . . . ?
C22A C21A C22A C23A -154.2(6) 6_565 . . . ?
C54A C21A C22A C23A -3.5(7) 6_565 . . . ?
Sc3A C21A C22A C23A -65.3(6) . . . . ?
Sc3A C21A C22A C23A -87.8(6) 6_565 . . . ?
C21A C21A C22A C26A -32.6(7) 6_565 . . . ?
C53A C21A C22A C26A 118.0(14) 6_565 . . . ?
C20A C21A C22A C26A 125.2(9) . . . . ?
C53A C21A C22A C26A -15.4(12) . . . . ?
C22A C21A C22A C26A -32.6(7) 6_565 . . . ?
C54A C21A C22A C26A 118.2(8) 6_565 . . . ?
Sc3A C21A C22A C26A 56.4(6) . . . . ?
Sc3A C21A C22A C26A 33.8(6) 6_565 . . . ?
C21A C21A C22A C54A -150.7(5) 6_565 . . 6_565 ?
C53A C21A C22A C54A -0.2(13) 6_565 . . 6_565 ?
C20A C21A C22A C54A 7.1(9) . . . 6_565 ?
C53A C21A C22A C54A -133.5(10) . . . 6_565 ?
C22A C21A C22A C54A -150.7(5) 6_565 . . 6_565 ?
Sc3A C21A C22A C54A -61.8(5) . . . 6_565 ?
Sc3A C21A C22A C54A -84.4(5) 6_565 . . 6_565 ?
C53A C21A C22A C21A 150.6(14) 6_565 . . 6_565 ?
C20A C21A C22A C21A 157.8(8) . . . 6_565 ?
C53A C21A C22A C21A 17.2(8) . . . 6_565 ?
C22A C21A C22A C21A 0.004(2) 6_565 . . 6_565 ?
C54A C21A C22A C21A 150.7(5) 6_565 . . 6_565 ?
Sc3A C21A C22A C21A 88.9(3) . . . 6_565 ?
Sc3A C21A C22A C21A 66.4(2) 6_565 . . 6_565 ?
C21A C21A C22A C53A -150.6(14) 6_565 . . 6_565 ?
C20A C21A C22A C53A 7.3(13) . . . 6_565 ?
C53A C21A C22A C53A -133(2) . . . 6_565 ?
C22A C21A C22A C53A -150.6(14) 6_565 . . 6_565 ?
C54A C21A C22A C53A 0.2(13) 6_565 . . 6_565 ?
Sc3A C21A C22A C53A -61.6(13) . . . 6_565 ?
Sc3A C21A C22A C53A -84.2(13) 6_565 . . 6_565 ?
C21A C21A C22A Sc3A -88.9(3) 6_565 . . . ?
C53A C21A C22A Sc3A 61.6(13) 6_565 . . . ?
C20A C21A C22A Sc3A 68.9(7) . . . . ?
C53A C21A C22A Sc3A -71.7(9) . . . . ?
C22A C21A C22A Sc3A -88.9(3) 6_565 . . . ?
C54A C21A C22A Sc3A 61.8(5) 6_565 . . . ?
Sc3A C21A C22A Sc3A -22.56(12) 6_565 . . . ?
C21A C21A C22A Sc3A -66.4(2) 6_565 . . 6_565 ?
C53A C21A C22A Sc3A 84.2(13) 6_565 . . 6_565 ?
C20A C21A C22A Sc3A 91.4(8) . . . 6_565 ?
C53A C21A C22A Sc3A -49.2(8) . . . 6_565 ?
C22A C21A C22A Sc3A -66.4(2) 6_565 . . 6_565 ?
C54A C21A C22A Sc3A 84.4(5) 6_565 . . 6_565 ?
Sc3A C21A C22A Sc3A 22.56(12) . . . 6_565 ?
C54A C19A C23A C27A -67(3) 6_565 . . 6_565 ?
C49A C19A C23A C27A 57(3) 6_565 . . 6_565 ?
C20A C19A C23A C27A -85.6(18) . . . 6_565 ?
C18A C19A C23A C27A 56(2) . . . 6_565 ?
C53A C19A C23A C27A -80.6(17) 6_565 . . 6_565 ?
C50A C19A C23A C27A 30(3) 6_565 . . 6_565 ?
Sc3A C19A C23A C27A -22.5(15) . . . 6_565 ?
C49A C19A C23A C54A 125(4) 6_565 . . 6_565 ?
C20A C19A C23A C54A -18(3) . . . 6_565 ?
C18A C19A C23A C54A 123(3) . . . 6_565 ?
C53A C19A C23A C54A -13(3) 6_565 . . 6_565 ?
C27A C19A C23A C54A 67(3) 6_565 . . 6_565 ?
C50A C19A C23A C54A 97(4) 6_565 . . 6_565 ?
Sc3A C19A C23A C54A 45(3) . . . 6_565 ?
C54A C19A C23A C24A -110(3) 6_565 . . . ?
C49A C19A C23A C24A 14(2) 6_565 . . . ?
C20A C19A C23A C24A -128.3(10) . . . . ?
C18A C19A C23A C24A 12.9(16) . . . . ?
C53A C19A C23A C24A -123.4(9) 6_565 . . . ?
C27A C19A C23A C24A -42.8(15) 6_565 . . . ?
C50A C19A C23A C24A -13(2) 6_565 . . . ?
Sc3A C19A C23A C24A -65.3(8) . . . . ?
C54A C19A C23A C22A 16(3) 6_565 . . . ?
C49A C19A C23A C22A 140.1(17) 6_565 . . . ?
C20A C19A C23A C22A -2.7(12) . . . . ?
C18A C19A C23A C22A 138.6(11) . . . . ?
C53A C19A C23A C22A 2.3(10) 6_565 . . . ?
C27A C19A C23A C22A 82.9(18) 6_565 . . . ?
C50A C19A C23A C22A 112.8(18) 6_565 . . . ?
Sc3A C19A C23A C22A 60.4(6) . . . . ?
C54A C19A C23A C28A -112(3) 6_565 . . 6_565 ?
C49A C19A C23A C28A 12.7(19) 6_565 . . 6_565 ?
C20A C19A C23A C28A -130.1(10) . . . 6_565 ?
C18A C19A C23A C28A 11.1(13) . . . 6_565 ?
C53A C19A C23A C28A -125.2(8) 6_565 . . 6_565 ?
C27A C19A C23A C28A -44.6(15) 6_565 . . 6_565 ?
C50A C19A C23A C28A -15(2) 6_565 . . 6_565 ?
Sc3A C19A C23A C28A -67.1(5) . . . 6_565 ?
C54A C19A C23A C26A -24(3) 6_565 . . 6_565 ?
C49A C19A C23A C26A 101.0(17) 6_565 . . 6_565 ?
C20A C19A C23A C26A -41.8(14) . . . 6_565 ?
C18A C19A C23A C26A 99.4(12) . . . 6_565 ?
C53A C19A C23A C26A -36.9(11) 6_565 . . 6_565 ?
C27A C19A C23A C26A 43.7(15) 6_565 . . 6_565 ?
C50A C19A C23A C26A 74(2) 6_565 . . 6_565 ?
Sc3A C19A C23A C26A 21.2(8) . . . 6_565 ?
C54A C19A C23A Sc3A -45(3) 6_565 . . . ?
C49A C19A C23A Sc3A 79.8(18) 6_565 . . . ?
C20A C19A C23A Sc3A -63.1(9) . . . . ?
C18A C19A C23A Sc3A 78.2(11) . . . . ?
C53A C19A C23A Sc3A -58.1(6) 6_565 . . . ?
C27A C19A C23A Sc3A 22.5(15) 6_565 . . . ?
C50A C19A C23A Sc3A 52.4(19) 6_565 . . . ?
C26A C22A C23A C27A -15.0(14) 6_565 . . 6_565 ?
C22A C22A C23A C27A 19(2) 6_565 . . 6_565 ?
C21A C22A C23A C27A 119.3(14) . . . 6_565 ?
C26A C22A C23A C27A -10.6(14) . . . 6_565 ?
C54A C22A C23A C27A 113.8(18) 6_565 . . 6_565 ?
C21A C22A C23A C27A 105.1(14) 6_565 . . 6_565 ?
C53A C22A C23A C27A 117.8(14) 6_565 . . 6_565 ?
Sc3A C22A C23A C27A 57.9(13) . . . 6_565 ?
Sc3A C22A C23A C27A 52.2(13) 6_565 . . 6_565 ?
C26A C22A C23A C54A -128.8(10) 6_565 . . 6_565 ?
C22A C22A C23A C54A -95.1(12) 6_565 . . 6_565 ?
C21A C22A C23A C54A 5.4(11) . . . 6_565 ?
C27A C22A C23A C54A -113.8(18) 6_565 . . 6_565 ?
C26A C22A C23A C54A -124.4(10) . . . 6_565 ?
C21A C22A C23A C54A -8.7(14) 6_565 . . 6_565 ?
C53A C22A C23A C54A 3.9(10) 6_565 . . 6_565 ?
Sc3A C22A C23A C54A -56.0(9) . . . 6_565 ?
Sc3A C22A C23A C54A -61.6(10) 6_565 . . 6_565 ?
C26A C22A C23A C19A -134.9(9) 6_565 . . . ?
C22A C22A C23A C19A -101.2(11) 6_565 . . . ?
C21A C22A C23A C19A -0.6(10) . . . . ?
C27A C22A C23A C19A -119.9(16) 6_565 . . . ?
C26A C22A C23A C19A -130.5(8) . . . . ?
C54A C22A C23A C19A -6.0(11) 6_565 . . . ?
C21A C22A C23A C19A -14.8(13) 6_565 . . . ?
C53A C22A C23A C19A -2.1(9) 6_565 . . . ?
Sc3A C22A C23A C19A -62.0(8) . . . . ?
Sc3A C22A C23A C19A -67.7(8) 6_565 . . . ?
C26A C22A C23A C24A -3.1(9) 6_565 . . . ?
C22A C22A C23A C24A 30.6(15) 6_565 . . . ?
C21A C22A C23A C24A 131.1(8) . . . . ?
C27A C22A C23A C24A 11.9(12) 6_565 . . . ?
C26A C22A C23A C24A 1.3(9) . . . . ?
C54A C22A C23A C24A 125.7(13) 6_565 . . . ?
C21A C22A C23A C24A 117.0(9) 6_565 . . . ?
C53A C22A C23A C24A 129.6(8) 6_565 . . . ?
Sc3A C22A C23A C24A 69.8(7) . . . . ?
Sc3A C22A C23A C24A 64.1(7) 6_565 . . . ?
C26A C22A C23A C28A -21.5(10) 6_565 . . 6_565 ?
C22A C22A C23A C28A 12.3(16) 6_565 . . 6_565 ?
C21A C22A C23A C28A 112.8(9) . . . 6_565 ?
C27A C22A C23A C28A -6.5(10) 6_565 . . 6_565 ?
C26A C22A C23A C28A -17.1(10) . . . 6_565 ?
C54A C22A C23A C28A 107.4(14) 6_565 . . 6_565 ?
C21A C22A C23A C28A 98.6(10) 6_565 . . 6_565 ?
C53A C22A C23A C28A 111.3(9) 6_565 . . 6_565 ?
Sc3A C22A C23A C28A 51.4(8) . . . 6_565 ?
Sc3A C22A C23A C28A 45.7(8) 6_565 . . 6_565 ?
C22A C22A C23A C26A 33.7(9) 6_565 . . 6_565 ?
C21A C22A C23A C26A 134.3(8) . . . 6_565 ?
C27A C22A C23A C26A 15.0(14) 6_565 . . 6_565 ?
C26A C22A C23A C26A 4.4(2) . . . 6_565 ?
C54A C22A C23A C26A 128.8(10) 6_565 . . 6_565 ?
C21A C22A C23A C26A 120.1(10) 6_565 . . 6_565 ?
C53A C22A C23A C26A 132.8(7) 6_565 . . 6_565 ?
Sc3A C22A C23A C26A 72.9(5) . . . 6_565 ?
Sc3A C22A C23A C26A 67.2(5) 6_565 . . 6_565 ?
C26A C22A C23A Sc3A -72.9(5) 6_565 . . . ?
C22A C22A C23A Sc3A -39.2(10) 6_565 . . . ?
C21A C22A C23A Sc3A 61.4(6) . . . . ?
C27A C22A C23A Sc3A -57.9(13) 6_565 . . . ?
C26A C22A C23A Sc3A -68.5(5) . . . . ?
C54A C22A C23A Sc3A 56.0(9) 6_565 . . . ?
C21A C22A C23A Sc3A 47.2(8) 6_565 . . . ?
C53A C22A C23A Sc3A 59.9(4) 6_565 . . . ?
Sc3A C22A C23A Sc3A -5.67(14) 6_565 . . . ?
C27A C23A C24A C28A -111(3) 6_565 . . 6_565 ?
C54A C23A C24A C28A -32(2) 6_565 . . 6_565 ?
C19A C23A C24A C28A -5(2) . . . 6_565 ?
C22A C23A C24A C28A -130.3(17) . . . 6_565 ?
C26A C23A C24A C28A -132.5(18) 6_565 . . 6_565 ?
Sc3A C23A C24A C28A -66.7(16) . . . 6_565 ?
C54A C23A C24A C27A 79(2) 6_565 . . 6_565 ?
C19A C23A C24A C27A 106(2) . . . 6_565 ?
C22A C23A C24A C27A -19(2) . . . 6_565 ?
C28A C23A C24A C27A 111(3) 6_565 . . 6_565 ?
C26A C23A C24A C27A -22(2) 6_565 . . 6_565 ?
Sc3A C23A C24A C27A 44(2) . . . 6_565 ?
C27A C23A C24A C25A 19(2) 6_565 . . . ?
C54A C23A C24A C25A 97.6(14) 6_565 . . . ?
C19A C23A C24A C25A 124.3(10) . . . . ?
C22A C23A C24A C25A -1.0(10) . . . . ?
C28A C23A C24A C25A 129(2) 6_565 . . . ?
C26A C23A C24A C25A -3.2(6) 6_565 . . . ?
Sc3A C23A C24A C25A 62.6(6) . . . . ?
C27A C23A C24A C66A -122(2) 6_565 . . . ?
C54A C23A C24A C66A -43.3(16) 6_565 . . . ?
C19A C23A C24A C66A -16.6(14) . . . . ?
C22A C23A C24A C66A -141.8(9) . . . . ?
C28A C23A C24A C66A -11.5(15) 6_565 . . . ?
C26A C23A C24A C66A -144.0(10) 6_565 . . . ?
Sc3A C23A C24A C66A -78.3(8) . . . . ?
C27A C23A C24A C29A -59(3) 6_565 . . 6_565 ?
C54A C23A C24A C29A 20(2) 6_565 . . 6_565 ?
C19A C23A C24A C29A 47(2) . . . 6_565 ?
C22A C23A C24A C29A -78(2) . . . 6_565 ?
C28A C23A C24A C29A 52.2(18) 6_565 . . 6_565 ?
C26A C23A C24A C29A -80.3(19) 6_565 . . 6_565 ?
Sc3A C23A C24A C29A -14.6(19) . . . 6_565 ?
C27A C23A C24A C26A 22(2) 6_565 . . 6_565 ?
C54A C23A C24A C26A 100.7(14) 6_565 . . 6_565 ?
C19A C23A C24A C26A 127.4(10) . . . 6_565 ?
C22A C23A C24A C26A 2.2(6) . . . 6_565 ?
C28A C23A C24A C26A 132.5(18) 6_565 . . 6_565 ?
Sc3A C23A C24A C26A 65.8(4) . . . 6_565 ?
C27A C23A C24A C48A -121(2) 6_565 . . 6_565 ?
C54A C23A C24A C48A -42.2(13) 6_565 . . 6_565 ?
C19A C23A C24A C48A -15.5(10) . . . 6_565 ?
C22A C23A C24A C48A -140.7(8) . . . 6_565 ?
C28A C23A C24A C48A -10.4(15) 6_565 . . 6_565 ?
C26A C23A C24A C48A -142.9(7) 6_565 . . 6_565 ?
Sc3A C23A C24A C48A -77.1(5) . . . 6_565 ?
C27A C23A C24A Sc3A -44(2) 6_565 . . . ?
C54A C23A C24A Sc3A 35.0(12) 6_565 . . . ?
C19A C23A C24A Sc3A 61.7(8) . . . . ?
C22A C23A C24A Sc3A -63.6(6) . . . . ?
C28A C23A C24A Sc3A 66.7(16) 6_565 . . . ?
C26A C23A C24A Sc3A -65.8(4) 6_565 . . . ?
C28A C24A C25A C25A 92.9(19) 6_565 . . 6_565 ?
C27A C24A C25A C25A -28.7(19) 6_565 . . 6_565 ?
C23A C24A C25A C25A -36.8(17) . . . 6_565 ?
C66A C24A C25A C25A 104.2(13) . . . 6_565 ?
C29A C24A C25A C25A 118.5(13) 6_565 . . 6_565 ?
C26A C24A C25A C25A -41.2(11) 6_565 . . 6_565 ?
C48A C24A C25A C25A 67.8(18) 6_565 . . 6_565 ?
Sc3A C24A C25A C25A 21.8(13) . . . 6_565 ?
C28A C24A C25A C26A 134.1(17) 6_565 . . 6_565 ?
C27A C24A C25A C26A 12.5(11) 6_565 . . 6_565 ?
C23A C24A C25A C26A 4.4(9) . . . 6_565 ?
C66A C24A C25A C26A 145.4(9) . . . 6_565 ?
C29A C24A C25A C26A 159.7(7) 6_565 . . 6_565 ?
C48A C24A C25A C26A 109.0(11) 6_565 . . 6_565 ?
Sc3A C24A C25A C26A 63.0(5) . . . 6_565 ?
C28A C24A C25A C30A -16.6(19) 6_565 . . . ?
C27A C24A C25A C30A -138.2(11) 6_565 . . . ?
C23A C24A C25A C30A -146.3(8) . . . . ?
C66A C24A C25A C30A -5.3(12) . . . . ?
C29A C24A C25A C30A 8.9(7) 6_565 . . . ?
C26A C24A C25A C30A -150.7(10) 6_565 . . . ?
C48A C24A C25A C30A -41.7(14) 6_565 . . . ?
Sc3A C24A C25A C30A -87.7(7) . . . . ?
C28A C24A C25A C26A 129.9(16) 6_565 . . . ?
C27A C24A C25A C26A 8.3(12) 6_565 . . . ?
C23A C24A C25A C26A 0.2(10) . . . . ?
C66A C24A C25A C26A 141.2(8) . . . . ?
C29A C24A C25A C26A 155.4(7) 6_565 . . . ?
C26A C24A C25A C26A -4.2(2) 6_565 . . . ?
C48A C24A C25A C26A 104.8(11) 6_565 . . . ?
Sc3A C24A C25A C26A 58.8(6) . . . . ?
C28A C24A C25A C27A 122(2) 6_565 . . 6_565 ?
C23A C24A C25A C27A -8.1(9) . . . 6_565 ?
C66A C24A C25A C27A 132.9(14) . . . 6_565 ?
C29A C24A C25A C27A 147.2(11) 6_565 . . 6_565 ?
C26A C24A C25A C27A -12.5(11) 6_565 . . 6_565 ?
C48A C24A C25A C27A 96.5(15) 6_565 . . 6_565 ?
Sc3A C24A C25A C27A 50.5(9) . . . 6_565 ?
C28A C24A C25A C29A -25.6(15) 6_565 . . 6_565 ?
C27A C24A C25A C29A -147.2(11) 6_565 . . 6_565 ?
C23A C24A C25A C29A -155.2(8) . . . 6_565 ?
C66A C24A C25A C29A -14.2(8) . . . 6_565 ?
C26A C24A C25A C29A -159.7(7) 6_565 . . 6_565 ?
C48A C24A C25A C29A -50.7(10) 6_565 . . 6_565 ?
Sc3A C24A C25A C29A -96.6(4) . . . 6_565 ?
C27A C24A C25A C28A -122(2) 6_565 . . 6_565 ?
C23A C24A C25A C28A -129.7(19) . . . 6_565 ?
C66A C24A C25A C28A 11.3(15) . . . 6_565 ?
C29A C24A C25A C28A 25.6(15) 6_565 . . 6_565 ?
C26A C24A C25A C28A -134.1(17) 6_565 . . 6_565 ?
C48A C24A C25A C28A -25.1(11) 6_565 . . 6_565 ?
Sc3A C24A C25A C28A -71.1(16) . . . 6_565 ?
C28A C24A C25A Sc3A 71.1(16) 6_565 . . . ?
C27A C24A C25A Sc3A -50.5(9) 6_565 . . . ?
C23A C24A C25A Sc3A -58.6(6) . . . . ?
C66A C24A C25A Sc3A 82.4(8) . . . . ?
C29A C24A C25A Sc3A 96.6(4) 6_565 . . . ?
C26A C24A C25A Sc3A -63.0(5) 6_565 . . . ?
C48A C24A C25A Sc3A 46.0(10) 6_565 . . . ?
C28A C24A C25A Sc3A 73.5(16) 6_565 . . 6_565 ?
C27A C24A C25A Sc3A -48.1(10) 6_565 . . 6_565 ?
C23A C24A C25A Sc3A -56.1(7) . . . 6_565 ?
C66A C24A C25A Sc3A 84.9(8) . . . 6_565 ?
C29A C24A C25A Sc3A 99.1(4) 6_565 . . 6_565 ?
C26A C24A C25A Sc3A -60.5(5) 6_565 . . 6_565 ?
C48A C24A C25A Sc3A 48.4(11) 6_565 . . 6_565 ?
Sc3A C24A C25A Sc3A 2.46(14) . . . 6_565 ?
C25A C25A C26A C26A -179.993(7) 6_565 . . 6_565 ?
C24A C25A C26A C26A 14.1(5) . . . 6_565 ?
C30A C25A C26A C26A 159.9(9) . . . 6_565 ?
C27A C25A C26A C26A 19.1(5) 6_565 . . 6_565 ?
C29A C25A C26A C26A 77.3(16) 6_565 . . 6_565 ?
C28A C25A C26A C26A 32.3(5) 6_565 . . 6_565 ?
Sc3A C25A C26A C26A 77.0(4) . . . 6_565 ?
Sc3A C25A C26A C26A 96.3(4) 6_565 . . 6_565 ?
C25A C25A C26A C22A 124(3) 6_565 . . 6_565 ?
C26A C25A C26A C22A -56(3) 6_565 . . 6_565 ?
C24A C25A C26A C22A -42(3) . . . 6_565 ?
C30A C25A C26A C22A 104(3) . . . 6_565 ?
C27A C25A C26A C22A -37(3) 6_565 . . 6_565 ?
C29A C25A C26A C22A 22(4) 6_565 . . 6_565 ?
C28A C25A C26A C22A -23(3) 6_565 . . 6_565 ?
Sc3A C25A C26A C22A 21(3) . . . 6_565 ?
Sc3A C25A C26A C22A 41(3) 6_565 . . 6_565 ?
C26A C25A C26A C25A 179.993(6) 6_565 . . 6_565 ?
C24A C25A C26A C25A -165.9(5) . . . 6_565 ?
C30A C25A C26A C25A -20.1(9) . . . 6_565 ?
C27A C25A C26A C25A -160.9(5) 6_565 . . 6_565 ?
C29A C25A C26A C25A -102.7(16) 6_565 . . 6_565 ?
C28A C25A C26A C25A -147.7(5) 6_565 . . 6_565 ?
Sc3A C25A C26A C25A -103.0(4) . . . 6_565 ?
Sc3A C25A C26A C25A -83.7(4) 6_565 . . 6_565 ?
C25A C25A C26A C27A 24.9(6) 6_565 . . . ?
C26A C25A C26A C27A -155.1(6) 6_565 . . . ?
C24A C25A C26A C27A -141.0(8) . . . . ?
C30A C25A C26A C27A 4.8(12) . . . . ?
C27A C25A C26A C27A -136.0(11) 6_565 . . . ?
C29A C25A C26A C27A -77.7(18) 6_565 . . . ?
C28A C25A C26A C27A -122.8(9) 6_565 . . . ?
Sc3A C25A C26A C27A -78.1(7) . . . . ?
Sc3A C25A C26A C27A -58.8(7) 6_565 . . . ?
C25A C25A C26A C22A 166.6(7) 6_565 . . . ?
C26A C25A C26A C22A -13.4(7) 6_565 . . . ?
C24A C25A C26A C22A 0.6(9) . . . . ?
C30A C25A C26A C22A 146.4(7) . . . . ?
C27A C25A C26A C22A 5.6(7) 6_565 . . . ?
C29A C25A C26A C22A 63.9(18) 6_565 . . . ?
C28A C25A C26A C22A 18.8(10) 6_565 . . . ?
Sc3A C25A C26A C22A 63.5(5) . . . . ?
Sc3A C25A C26A C22A 82.9(5) 6_565 . . . ?
C25A C25A C26A C27A 160.9(5) 6_565 . . 6_565 ?
C26A C25A C26A C27A -19.1(5) 6_565 . . 6_565 ?
C24A C25A C26A C27A -5.0(7) . . . 6_565 ?
C30A C25A C26A C27A 140.8(9) . . . 6_565 ?
C29A C25A C26A C27A 58.3(16) 6_565 . . 6_565 ?
C28A C25A C26A C27A 13.2(7) 6_565 . . 6_565 ?
Sc3A C25A C26A C27A 57.9(5) . . . 6_565 ?
Sc3A C25A C26A C27A 77.2(5) 6_565 . . 6_565 ?
C25A C25A C26A C24A 10.0(3) 6_565 . . 6_565 ?
C26A C25A C26A C24A -170.0(3) 6_565 . . 6_565 ?
C24A C25A C26A C24A -155.9(8) . . . 6_565 ?
C30A C25A C26A C24A -10.1(9) . . . 6_565 ?
C27A C25A C26A C24A -150.9(6) 6_565 . . 6_565 ?
C29A C25A C26A C24A -92.6(17) 6_565 . . 6_565 ?
C28A C25A C26A C24A -137.7(7) 6_565 . . 6_565 ?
Sc3A C25A C26A C24A -93.0(4) . . . 6_565 ?
Sc3A C25A C26A C24A -73.6(4) 6_565 . . 6_565 ?
C25A C25A C26A C23A 24.6(7) 6_565 . . 6_565 ?
C26A C25A C26A C23A -155.4(7) 6_565 . . 6_565 ?
C24A C25A C26A C23A -141.4(9) . . . 6_565 ?
C30A C25A C26A C23A 4.4(14) . . . 6_565 ?
C27A C25A C26A C23A -136.4(10) 6_565 . . 6_565 ?
C29A C25A C26A C23A -78.1(19) 6_565 . . 6_565 ?
C28A C25A C26A C23A -123.1(9) 6_565 . . 6_565 ?
Sc3A C25A C26A C23A -78.5(9) . . . 6_565 ?
Sc3A C25A C26A C23A -59.1(8) 6_565 . . 6_565 ?
C25A C25A C26A Sc3A 83.7(4) 6_565 . . 6_565 ?
C26A C25A C26A Sc3A -96.3(4) 6_565 . . 6_565 ?
C24A C25A C26A Sc3A -82.3(6) . . . 6_565 ?
C30A C25A C26A Sc3A 63.5(7) . . . 6_565 ?
C27A C25A C26A Sc3A -77.2(5) 6_565 . . 6_565 ?
C29A C25A C26A Sc3A -19.0(17) 6_565 . . 6_565 ?
C28A C25A C26A Sc3A -64.0(7) 6_565 . . 6_565 ?
Sc3A C25A C26A Sc3A -19.37(13) . . . 6_565 ?
C25A C25A C26A Sc3A 103.0(4) 6_565 . . . ?
C26A C25A C26A Sc3A -77.0(4) 6_565 . . . ?
C24A C25A C26A Sc3A -62.9(6) . . . . ?
C30A C25A C26A Sc3A 82.9(7) . . . . ?
C27A C25A C26A Sc3A -57.9(5) 6_565 . . . ?
C29A C25A C26A Sc3A 0.4(16) 6_565 . . . ?
C28A C25A C26A Sc3A -44.7(7) 6_565 . . . ?
Sc3A C25A C26A Sc3A 19.37(13) 6_565 . . . ?
C22A C22A C26A C26A 179.995(4) 6_565 . . 6_565 ?
C21A C22A C26A C26A -138.3(9) . . . 6_565 ?
C27A C22A C26A C26A -20.7(5) 6_565 . . 6_565 ?
C23A C22A C26A C26A -15.5(5) . . . 6_565 ?
C54A C22A C26A C26A -52.4(7) 6_565 . . 6_565 ?
C21A C22A C26A C26A -151.7(7) 6_565 . . 6_565 ?
C53A C22A C26A C26A -110.8(10) 6_565 . . 6_565 ?
Sc3A C22A C26A C26A -84.5(4) . . . 6_565 ?
Sc3A C22A C26A C26A -103.1(4) 6_565 . . 6_565 ?
C26A C22A C26A C22A 180.005(4) 6_565 . . 6_565 ?
C21A C22A C26A C22A 41.7(9) . . . 6_565 ?
C27A C22A C26A C22A 159.3(5) 6_565 . . 6_565 ?
C23A C22A C26A C22A 164.5(5) . . . 6_565 ?
C54A C22A C26A C22A 127.6(7) 6_565 . . 6_565 ?
C21A C22A C26A C22A 28.3(7) 6_565 . . 6_565 ?
C53A C22A C26A C22A 69.2(10) 6_565 . . 6_565 ?
Sc3A C22A C26A C22A 95.5(4) . . . 6_565 ?
Sc3A C22A C26A C22A 76.9(4) 6_565 . . 6_565 ?
C26A C22A C26A C25A 36(2) 6_565 . . 6_565 ?
C22A C22A C26A C25A -144(2) 6_565 . . 6_565 ?
C21A C22A C26A C25A -101.9(19) . . . 6_565 ?
C27A C22A C26A C25A 15.7(19) 6_565 . . 6_565 ?
C23A C22A C26A C25A 21(2) . . . 6_565 ?
C54A C22A C26A C25A -16(2) 6_565 . . 6_565 ?
C21A C22A C26A C25A -115.3(18) 6_565 . . 6_565 ?
C53A C22A C26A C25A -74(2) 6_565 . . 6_565 ?
Sc3A C22A C26A C25A -48.1(18) . . . 6_565 ?
Sc3A C22A C26A C25A -66.7(18) 6_565 . . 6_565 ?
C26A C22A C26A C27A 156.1(6) 6_565 . . . ?
C22A C22A C26A C27A -23.9(6) 6_565 . . . ?
C21A C22A C26A C27A 17.8(11) . . . . ?
C27A C22A C26A C27A 135.4(11) 6_565 . . . ?
C23A C22A C26A C27A 140.6(8) . . . . ?
C54A C22A C26A C27A 103.7(10) 6_565 . . . ?
C21A C22A C26A C27A 4.4(9) 6_565 . . . ?
C53A C22A C26A C27A 45.3(12) 6_565 . . . ?
Sc3A C22A C26A C27A 71.6(7) . . . . ?
Sc3A C22A C26A C27A 53.0(7) 6_565 . . . ?
C26A C22A C26A C25A 14.4(8) 6_565 . . . ?
C22A C22A C26A C25A -165.6(8) 6_565 . . . ?
C21A C22A C26A C25A -123.9(8) . . . . ?
C27A C22A C26A C25A -6.3(7) 6_565 . . . ?
C23A C22A C26A C25A -1.2(9) . . . . ?
C54A C22A C26A C25A -38.0(10) 6_565 . . . ?
C21A C22A C26A C25A -137.4(7) 6_565 . . . ?
C53A C22A C26A C25A -96.4(9) 6_565 . . . ?
Sc3A C22A C26A C25A -70.1(6) . . . . ?
Sc3A C22A C26A C25A -88.8(6) 6_565 . . . ?
C26A C22A C26A C27A 20.7(5) 6_565 . . 6_565 ?
C22A C22A C26A C27A -159.3(5) 6_565 . . 6_565 ?
C21A C22A C26A C27A -117.6(9) . . . 6_565 ?
C23A C22A C26A C27A 5.2(7) . . . 6_565 ?
C54A C22A C26A C27A -31.7(8) 6_565 . . 6_565 ?
C21A C22A C26A C27A -131.0(8) 6_565 . . 6_565 ?
C53A C22A C26A C27A -90.1(9) 6_565 . . 6_565 ?
Sc3A C22A C26A C27A -63.8(5) . . . 6_565 ?
Sc3A C22A C26A C27A -82.4(6) 6_565 . . 6_565 ?
C26A C22A C26A C24A 147.0(10) 6_565 . . 6_565 ?
C22A C22A C26A C24A -33.0(10) 6_565 . . 6_565 ?
C21A C22A C26A C24A 8.7(16) . . . 6_565 ?
C27A C22A C26A C24A 126.3(12) 6_565 . . 6_565 ?
C23A C22A C26A C24A 131.5(12) . . . 6_565 ?
C54A C22A C26A C24A 94.6(14) 6_565 . . 6_565 ?
C21A C22A C26A C24A -4.7(14) 6_565 . . 6_565 ?
C53A C22A C26A C24A 36.2(17) 6_565 . . 6_565 ?
Sc3A C22A C26A C24A 62.5(11) . . . 6_565 ?
Sc3A C22A C26A C24A 43.9(11) 6_565 . . 6_565 ?
C26A C22A C26A C23A 168.3(4) 6_565 . . 6_565 ?
C22A C22A C26A C23A -11.7(4) 6_565 . . 6_565 ?
C21A C22A C26A C23A 30.0(9) . . . 6_565 ?
C27A C22A C26A C23A 147.6(7) 6_565 . . 6_565 ?
C23A C22A C26A C23A 152.8(9) . . . 6_565 ?
C54A C22A C26A C23A 115.9(8) 6_565 . . 6_565 ?
C21A C22A C26A C23A 16.6(7) 6_565 . . 6_565 ?
C53A C22A C26A C23A 57.5(10) 6_565 . . 6_565 ?
Sc3A C22A C26A C23A 83.8(5) . . . 6_565 ?
Sc3A C22A C26A C23A 65.2(5) 6_565 . . 6_565 ?
C26A C22A C26A Sc3A 103.1(4) 6_565 . . 6_565 ?
C22A C22A C26A Sc3A -76.9(4) 6_565 . . 6_565 ?
C21A C22A C26A Sc3A -35.2(7) . . . 6_565 ?
C27A C22A C26A Sc3A 82.4(6) 6_565 . . 6_565 ?
C23A C22A C26A Sc3A 87.6(6) . . . 6_565 ?
C54A C22A C26A Sc3A 50.7(7) 6_565 . . 6_565 ?
C21A C22A C26A Sc3A -48.6(5) 6_565 . . 6_565 ?
C53A C22A C26A Sc3A -7.7(8) 6_565 . . 6_565 ?
Sc3A C22A C26A Sc3A 18.66(14) . . . 6_565 ?
C26A C22A C26A Sc3A 84.5(4) 6_565 . . . ?
C22A C22A C26A Sc3A -95.5(4) 6_565 . . . ?
C21A C22A C26A Sc3A -53.8(6) . . . . ?
C27A C22A C26A Sc3A 63.8(5) 6_565 . . . ?
C23A C22A C26A Sc3A 68.9(6) . . . . ?
C54A C22A C26A Sc3A 32.1(7) 6_565 . . . ?
C21A C22A C26A Sc3A -67.3(4) 6_565 . . . ?
C53A C22A C26A Sc3A -26.3(7) 6_565 . . . ?
Sc3A C22A C26A Sc3A -18.66(14) 6_565 . . . ?
C26A C26A C27A C23A 105(2) 6_565 . . 6_565 ?
C22A C26A C27A C23A 20.9(18) 6_565 . . 6_565 ?
C25A C26A C27A C23A -161(2) 6_565 . . 6_565 ?
C25A C26A C27A C23A -179.2(18) . . . 6_565 ?
C22A C26A C27A C23A 43(2) . . . 6_565 ?
C27A C26A C27A C23A 105(2) 6_565 . . 6_565 ?
C24A C26A C27A C23A -147(3) 6_565 . . 6_565 ?
Sc3A C26A C27A C23A 106.5(19) 6_565 . . 6_565 ?
Sc3A C26A C27A C23A 106.2(19) . . . 6_565 ?
C26A C26A C27A C24A -108.6(13) 6_565 . . 6_565 ?
C22A C26A C27A C24A 167.8(14) 6_565 . . 6_565 ?
C25A C26A C27A C24A -13.7(12) 6_565 . . 6_565 ?
C25A C26A C27A C24A -32.3(15) . . . 6_565 ?
C22A C26A C27A C24A -169.7(11) . . . 6_565 ?
C27A C26A C27A C24A -108.6(13) 6_565 . . 6_565 ?
C23A C26A C27A C24A 147(3) 6_565 . . 6_565 ?
Sc3A C26A C27A C24A -106.6(12) 6_565 . . 6_565 ?
Sc3A C26A C27A C24A -106.9(12) . . . 6_565 ?
C26A C26A C27A C22A 83.6(12) 6_565 . . 6_565 ?
C25A C26A C27A C22A 178.5(8) 6_565 . . 6_565 ?
C25A C26A C27A C22A 159.9(9) . . . 6_565 ?
C22A C26A C27A C22A 22.5(6) . . . 6_565 ?
C27A C26A C27A C22A 83.6(11) 6_565 . . 6_565 ?
C24A C26A C27A C22A -167.8(14) 6_565 . . 6_565 ?
C23A C26A C27A C22A -20.9(18) 6_565 . . 6_565 ?
Sc3A C26A C27A C22A 85.6(5) 6_565 . . 6_565 ?
Sc3A C26A C27A C22A 85.3(5) . . . 6_565 ?
C26A C26A C27A C28A -85.6(13) 6_565 . . . ?
C22A C26A C27A C28A -169.2(11) 6_565 . . . ?
C25A C26A C27A C28A 9.2(10) 6_565 . . . ?
C25A C26A C27A C28A -9.3(13) . . . . ?
C22A C26A C27A C28A -146.8(8) . . . . ?
C27A C26A C27A C28A -85.6(13) 6_565 . . . ?
C24A C26A C27A C28A 23.0(9) 6_565 . . . ?
C23A C26A C27A C28A 170(2) 6_565 . . . ?
Sc3A C26A C27A C28A -83.6(9) 6_565 . . . ?
Sc3A C26A C27A C28A -83.9(9) . . . . ?
C26A C26A C27A C54A 54.5(17) 6_565 . . . ?
C22A C26A C27A C54A -29.1(9) 6_565 . . . ?
C25A C26A C27A C54A 149.3(10) 6_565 . . . ?
C25A C26A C27A C54A 130.8(9) . . . . ?
C22A C26A C27A C54A -6.7(13) . . . . ?
C27A C26A C27A C54A 54.5(16) 6_565 . . . ?
C24A C26A C27A C54A 163.1(19) 6_565 . . . ?
C23A C26A C27A C54A -50.0(16) 6_565 . . . ?
Sc3A C26A C27A C54A 56.5(8) 6_565 . . . ?
Sc3A C26A C27A C54A 56.2(9) . . . . ?
C26A C26A C27A C25A -94.8(12) 6_565 . . 6_565 ?
C22A C26A C27A C25A -178.5(8) 6_565 . . 6_565 ?
C25A C26A C27A C25A -18.6(5) . . . 6_565 ?
C22A C26A C27A C25A -156.0(10) . . . 6_565 ?
C27A C26A C27A C25A -94.9(12) 6_565 . . 6_565 ?
C24A C26A C27A C25A 13.7(12) 6_565 . . 6_565 ?
C23A C26A C27A C25A 161(2) 6_565 . . 6_565 ?
Sc3A C26A C27A C25A -92.9(6) 6_565 . . 6_565 ?
Sc3A C26A C27A C25A -93.2(5) . . . 6_565 ?
C22A C26A C27A C26A -83.6(12) 6_565 . . 6_565 ?
C25A C26A C27A C26A 94.8(12) 6_565 . . 6_565 ?
C25A C26A C27A C26A 76.3(13) . . . 6_565 ?
C22A C26A C27A C26A -61.2(10) . . . 6_565 ?
C27A C26A C27A C26A -0.02(4) 6_565 . . 6_565 ?
C24A C26A C27A C26A 108.6(13) 6_565 . . 6_565 ?
C23A C26A C27A C26A -105(2) 6_565 . . 6_565 ?
Sc3A C26A C27A C26A 2.0(12) 6_565 . . 6_565 ?
Sc3A C26A C27A C26A 1.7(10) . . . 6_565 ?
C26A C26A C27A C19A 53(2) 6_565 . . 6_565 ?
C22A C26A C27A C19A -30.9(12) 6_565 . . 6_565 ?
C25A C26A C27A C19A 147.6(13) 6_565 . . 6_565 ?
C25A C26A C27A C19A 129.0(11) . . . 6_565 ?
C22A C26A C27A C19A -8.4(16) . . . 6_565 ?
C27A C26A C27A C19A 53(2) 6_565 . . 6_565 ?
C24A C26A C27A C19A 161(2) 6_565 . . 6_565 ?
C23A C26A C27A C19A -51.8(16) 6_565 . . 6_565 ?
Sc3A C26A C27A C19A 54.7(11) 6_565 . . 6_565 ?
Sc3A C26A C27A C19A 54.4(12) . . . 6_565 ?
C26A C26A C27A Sc3A -2.0(12) 6_565 . . 6_565 ?
C22A C26A C27A Sc3A -85.6(5) 6_565 . . 6_565 ?
C25A C26A C27A Sc3A 92.9(6) 6_565 . . 6_565 ?
C25A C26A C27A Sc3A 74.3(7) . . . 6_565 ?
C22A C26A C27A Sc3A -63.1(7) . . . 6_565 ?
C27A C26A C27A Sc3A -2.0(12) 6_565 . . 6_565 ?
C24A C26A C27A Sc3A 106.6(12) 6_565 . . 6_565 ?
C23A C26A C27A Sc3A -106.5(19) 6_565 . . 6_565 ?
Sc3A C26A C27A Sc3A -0.28(16) . . . 6_565 ?
C26A C26A C27A Sc3A -1.7(10) 6_565 . . . ?
C22A C26A C27A Sc3A -85.3(5) 6_565 . . . ?
C25A C26A C27A Sc3A 93.2(5) 6_565 . . . ?
C25A C26A C27A Sc3A 74.6(7) . . . . ?
C22A C26A C27A Sc3A -62.9(6) . . . . ?
C27A C26A C27A Sc3A -1.7(10) 6_565 . . . ?
C24A C26A C27A Sc3A 106.9(12) 6_565 . . . ?
C23A C26A C27A Sc3A -106.2(19) 6_565 . . . ?
Sc3A C26A C27A Sc3A 0.28(16) 6_565 . . . ?
C23A C27A C28A C24A 108(3) 6_565 . . 6_565 ?
C26A C27A C28A C24A -63(2) . . . 6_565 ?
C22A C27A C28A C24A -112(5) 6_565 . . 6_565 ?
C54A C27A C28A C24A 153(2) . . . 6_565 ?
C25A C27A C28A C24A -56(2) 6_565 . . 6_565 ?
C26A C27A C28A C24A -69(2) 6_565 . . 6_565 ?
C19A C27A C28A C24A 145(2) 6_565 . . 6_565 ?
Sc3A C27A C28A C24A -142(2) 6_565 . . 6_565 ?
Sc3A C27A C28A C24A -127(2) . . . 6_565 ?
C23A C27A C28A C66A -33(6) 6_565 . . 6_565 ?
C24A C27A C28A C66A -142(6) 6_565 . . 6_565 ?
C26A C27A C28A C66A 155(5) . . . 6_565 ?
C22A C27A C28A C66A 106(6) 6_565 . . 6_565 ?
C54A C27A C28A C66A 11(6) . . . 6_565 ?
C25A C27A C28A C66A 162(5) 6_565 . . 6_565 ?
C26A C27A C28A C66A 149(5) 6_565 . . 6_565 ?
C19A C27A C28A C66A 3(5) 6_565 . . 6_565 ?
Sc3A C27A C28A C66A 76(5) 6_565 . . 6_565 ?
Sc3A C27A C28A C66A 91(5) . . . 6_565 ?
C23A C27A C28A C29A 172.2(17) 6_565 . . . ?
C24A C27A C28A C29A 64(2) 6_565 . . . ?
C26A C27A C28A C29A 0.9(15) . . . . ?
C22A C27A C28A C29A -49(5) 6_565 . . . ?
C54A C27A C28A C29A -143.5(10) . . . . ?
C25A C27A C28A C29A 8.2(9) 6_565 . . . ?
C26A C27A C28A C29A -5.1(13) 6_565 . . . ?
C19A C27A C28A C29A -151.1(10) 6_565 . . . ?
Sc3A C27A C28A C29A -77.9(10) 6_565 . . . ?
Sc3A C27A C28A C29A -63.0(10) . . . . ?
C23A C27A C28A C48A -36.7(18) 6_565 . . . ?
C24A C27A C28A C48A -145(2) 6_565 . . . ?
C26A C27A C28A C48A 152.0(10) . . . . ?
C22A C27A C28A C48A 102(4) 6_565 . . . ?
C54A C27A C28A C48A 7.7(11) . . . . ?
C25A C27A C28A C48A 159.3(10) 6_565 . . . ?
C26A C27A C28A C48A 146.0(9) 6_565 . . . ?
C19A C27A C28A C48A 0.0(10) 6_565 . . . ?
Sc3A C27A C28A C48A 73.3(8) 6_565 . . . ?
Sc3A C27A C28A C48A 88.1(8) . . . . ?
C23A C27A C28A C25A 164.1(18) 6_565 . . 6_565 ?
C24A C27A C28A C25A 56(2) 6_565 . . 6_565 ?
C26A C27A C28A C25A -7.3(8) . . . 6_565 ?
C22A C27A C28A C25A -57(4) 6_565 . . 6_565 ?
C54A C27A C28A C25A -151.6(10) . . . 6_565 ?
C26A C27A C28A C25A -13.3(6) 6_565 . . 6_565 ?
C19A C27A C28A C25A -159.3(8) 6_565 . . 6_565 ?
Sc3A C27A C28A C25A -86.0(5) 6_565 . . 6_565 ?
Sc3A C27A C28A C25A -71.1(5) . . . 6_565 ?
C24A C27A C28A C23A -108(3) 6_565 . . 6_565 ?
C26A C27A C28A C23A -171(2) . . . 6_565 ?
C22A C27A C28A C23A 139(5) 6_565 . . 6_565 ?
C54A C27A C28A C23A 44.3(14) . . . 6_565 ?
C25A C27A C28A C23A -164.1(18) 6_565 . . 6_565 ?
C26A C27A C28A C23A -177(2) 6_565 . . 6_565 ?
C19A C27A C28A C23A 36.7(13) 6_565 . . 6_565 ?
Sc3A C27A C28A C23A 109.9(16) 6_565 . . 6_565 ?
Sc3A C27A C28A C23A 124.8(17) . . . 6_565 ?
C23A C27A C28A C67A -42.0(18) 6_565 . . 6_565 ?
C24A C27A C28A C67A -150(3) 6_565 . . 6_565 ?
C26A C27A C28A C67A 146.7(10) . . . 6_565 ?
C22A C27A C28A C67A 97(4) 6_565 . . 6_565 ?
C54A C27A C28A C67A 2.3(12) . . . 6_565 ?
C25A C27A C28A C67A 154.0(10) 6_565 . . 6_565 ?
C26A C27A C28A C67A 140.7(9) 6_565 . . 6_565 ?
C19A C27A C28A C67A -5.3(11) 6_565 . . 6_565 ?
Sc3A C27A C28A C67A 67.9(9) 6_565 . . 6_565 ?
Sc3A C27A C28A C67A 82.8(9) . . . 6_565 ?
C23A C27A C28A C65A -155(2) 6_565 . . 6_565 ?
C24A C27A C28A C65A 97(3) 6_565 . . 6_565 ?
C26A C27A C28A C65A 34(2) . . . 6_565 ?
C22A C27A C28A C65A -16(5) 6_565 . . 6_565 ?
C54A C27A C28A C65A -110.5(19) . . . 6_565 ?
C25A C27A C28A C65A 41.1(19) 6_565 . . 6_565 ?
C26A C27A C28A C65A 28(2) 6_565 . . 6_565 ?
C19A C27A C28A C65A -118.2(19) 6_565 . . 6_565 ?
Sc3A C27A C28A C65A -44.9(19) 6_565 . . 6_565 ?
Sc3A C27A C28A C65A -30(2) . . . 6_565 ?
C23A C27A C28A Sc3A -109.9(16) 6_565 . . 6_565 ?
C24A C27A C28A Sc3A 142(2) 6_565 . . 6_565 ?
C26A C27A C28A Sc3A 78.8(9) . . . 6_565 ?
C22A C27A C28A Sc3A 29(4) 6_565 . . 6_565 ?
C54A C27A C28A Sc3A -65.6(7) . . . 6_565 ?
C25A C27A C28A Sc3A 86.0(5) 6_565 . . 6_565 ?
C26A C27A C28A Sc3A 72.8(7) 6_565 . . 6_565 ?
C19A C27A C28A Sc3A -73.3(6) 6_565 . . 6_565 ?
Sc3A C27A C28A Sc3A 14.87(12) . . . 6_565 ?
C24A C28A C29A C65A -170.9(16) 6_565 . . 6_565 ?
C66A C28A C29A C65A -13.0(16) 6_565 . . 6_565 ?
C48A C28A C29A C65A 11.6(13) . . . 6_565 ?
C27A C28A C29A C65A 158.0(11) . . . 6_565 ?
C25A C28A C29A C65A 165.8(9) 6_565 . . 6_565 ?
C23A C28A C29A C65A 162.5(15) 6_565 . . 6_565 ?
C67A C28A C29A C65A 11.3(12) 6_565 . . 6_565 ?
Sc3A C28A C29A C65A 103.6(7) 6_565 . . 6_565 ?
C24A C28A C29A C31A 123(3) 6_565 . . 6_565 ?
C66A C28A C29A C31A -79(3) 6_565 . . 6_565 ?
C48A C28A C29A C31A -54(3) . . . 6_565 ?
C27A C28A C29A C31A 92(2) . . . 6_565 ?
C25A C28A C29A C31A 100(2) 6_565 . . 6_565 ?
C23A C28A C29A C31A 97(3) 6_565 . . 6_565 ?
C67A C28A C29A C31A -55(3) 6_565 . . 6_565 ?
C65A C28A C29A C31A -66(2) 6_565 . . 6_565 ?
Sc3A C28A C29A C31A 38(2) 6_565 . . 6_565 ?
C24A C28A C29A C66A -158(3) 6_565 . . 6_565 ?
C48A C28A C29A C66A 24.7(13) . . . 6_565 ?
C27A C28A C29A C66A 171(2) . . . 6_565 ?
C25A C28A C29A C66A 178.8(16) 6_565 . . 6_565 ?
C23A C28A C29A C66A 176(3) 6_565 . . 6_565 ?
C67A C28A C29A C66A 24.3(11) 6_565 . . 6_565 ?
C65A C28A C29A C66A 13.0(16) 6_565 . . 6_565 ?
Sc3A C28A C29A C66A 116.6(16) 6_565 . . 6_565 ?
C24A C28A C29A C34A -170.3(15) 6_565 . . . ?
C66A C28A C29A C34A -12.5(19) 6_565 . . . ?
C48A C28A C29A C34A 12.2(15) . . . . ?
C27A C28A C29A C34A 158.6(9) . . . . ?
C25A C28A C29A C34A 166.4(9) 6_565 . . . ?
C23A C28A C29A C34A 163.1(13) 6_565 . . . ?
C67A C28A C29A C34A 11.8(14) 6_565 . . . ?
C65A C28A C29A C34A 0.6(10) 6_565 . . . ?
Sc3A C28A C29A C34A 104.2(8) 6_565 . . . ?
C24A C28A C29A C30A 42.7(18) 6_565 . . . ?
C66A C28A C29A C30A -159.5(14) 6_565 . . . ?
C48A C28A C29A C30A -134.8(9) . . . . ?
C27A C28A C29A C30A 11.6(13) . . . . ?
C25A C28A C29A C30A 19.3(7) 6_565 . . . ?
C23A C28A C29A C30A 16.1(19) 6_565 . . . ?
C67A C28A C29A C30A -135.2(8) 6_565 . . . ?
C65A C28A C29A C30A -146.5(11) 6_565 . . . ?
Sc3A C28A C29A C30A -42.9(7) 6_565 . . . ?
C66A C28A C29A C24A 158(3) 6_565 . . 6_565 ?
C48A C28A C29A C24A -178(2) . . . 6_565 ?
C27A C28A C29A C24A -31.1(12) . . . 6_565 ?
C25A C28A C29A C24A -23.3(14) 6_565 . . 6_565 ?
C23A C28A C29A C24A -26.6(11) 6_565 . . 6_565 ?
C67A C28A C29A C24A -178(2) 6_565 . . 6_565 ?
C65A C28A C29A C24A 170.9(16) 6_565 . . 6_565 ?
Sc3A C28A C29A C24A -85.6(15) 6_565 . . 6_565 ?
C24A C28A C29A C25A 23.3(14) 6_565 . . 6_565 ?
C66A C28A C29A C25A -178.8(16) 6_565 . . 6_565 ?
C48A C28A C29A C25A -154.2(12) . . . 6_565 ?
C27A C28A C29A C25A -7.8(9) . . . 6_565 ?
C23A C28A C29A C25A -3.3(14) 6_565 . . 6_565 ?
C67A C28A C29A C25A -154.6(10) 6_565 . . 6_565 ?
C65A C28A C29A C25A -165.8(9) 6_565 . . 6_565 ?
Sc3A C28A C29A C25A -62.2(4) 6_565 . . 6_565 ?
C24A C28A C29A Sc2A 129.3(15) 6_565 . . . ?
C66A C28A C29A Sc2A -72.9(15) 6_565 . . . ?
C48A C28A C29A Sc2A -48.2(11) . . . . ?
C27A C28A C29A Sc2A 98.1(9) . . . . ?
C25A C28A C29A Sc2A 105.9(5) 6_565 . . . ?
C23A C28A C29A Sc2A 102.7(14) 6_565 . . . ?
C67A C28A C29A Sc2A -48.6(10) 6_565 . . . ?
C65A C28A C29A Sc2A -59.9(7) 6_565 . . . ?
Sc3A C28A C29A Sc2A 43.7(4) 6_565 . . . ?
C25A C25A C30A C31A -165.9(7) 6_565 . . . ?
C26A C25A C30A C31A -138.5(12) 6_565 . . . ?
C24A C25A C30A C31A -6.3(11) . . . . ?
C26A C25A C30A C31A -147.6(7) . . . . ?
C27A C25A C30A C31A -45.1(14) 6_565 . . . ?
C29A C25A C30A C31A 3.2(7) 6_565 . . . ?
C28A C25A C30A C31A -12.2(9) 6_565 . . . ?
Sc3A C25A C30A C31A -80.8(7) . . . . ?
Sc3A C25A C30A C31A -98.9(6) 6_565 . . . ?
C25A C25A C30A C31A -41.3(17) 6_565 . . 6_565 ?
C26A C25A C30A C31A -14(3) 6_565 . . 6_565 ?
C24A C25A C30A C31A 118.4(17) . . . 6_565 ?
C26A C25A C30A C31A -23(2) . . . 6_565 ?
C27A C25A C30A C31A 80(2) 6_565 . . 6_565 ?
C29A C25A C30A C31A 127.9(19) 6_565 . . 6_565 ?
C28A C25A C30A C31A 112.5(18) 6_565 . . 6_565 ?
Sc3A C25A C30A C31A 43.9(19) . . . 6_565 ?
Sc3A C25A C30A C31A 25.8(19) 6_565 . . 6_565 ?
C26A C25A C30A C25A 27.4(13) 6_565 . . 6_565 ?
C24A C25A C30A C25A 159.7(6) . . . 6_565 ?
C26A C25A C30A C25A 18.3(8) . . . 6_565 ?
C27A C25A C30A C25A 120.9(11) 6_565 . . 6_565 ?
C29A C25A C30A C25A 169.1(4) 6_565 . . 6_565 ?
C28A C25A C30A C25A 153.7(4) 6_565 . . 6_565 ?
Sc3A C25A C30A C25A 85.2(3) . . . 6_565 ?
Sc3A C25A C30A C25A 67.0(3) 6_565 . . 6_565 ?
C25A C25A C30A C29A -169.1(4) 6_565 . . 6_565 ?
C26A C25A C30A C29A -141.7(13) 6_565 . . 6_565 ?
C24A C25A C30A C29A -9.5(7) . . . 6_565 ?
C26A C25A C30A C29A -150.8(9) . . . 6_565 ?
C27A C25A C30A C29A -48.2(11) 6_565 . . 6_565 ?
C28A C25A C30A C29A -15.4(6) 6_565 . . 6_565 ?
Sc3A C25A C30A C29A -83.9(4) . . . 6_565 ?
Sc3A C25A C30A C29A -102.1(4) 6_565 . . 6_565 ?
C25A C25A C30A C29A -11.3(4) 6_565 . . . ?
C26A C25A C30A C29A 16.1(15) 6_565 . . . ?
C24A C25A C30A C29A 148.3(7) . . . . ?
C26A C25A C30A C29A 7.0(10) . . . . ?
C27A C25A C30A C29A 109.6(11) 6_565 . . . ?
C29A C25A C30A C29A 157.8(8) 6_565 . . . ?
C28A C25A C30A C29A 142.4(6) 6_565 . . . ?
Sc3A C25A C30A C29A 73.9(5) . . . . ?
Sc3A C25A C30A C29A 55.7(5) 6_565 . . . ?
C65A C29A C30A C31A 8.7(14) 6_565 . . . ?
C31A C29A C30A C31A -13.3(5) 6_565 . . . ?
C28A C29A C30A C31A 139.5(9) . . . . ?
C66A C29A C30A C31A 119.2(14) 6_565 . . . ?
C34A C29A C30A C31A -7.8(10) . . . . ?
C24A C29A C30A C31A 156.1(7) 6_565 . . . ?
C25A C29A C30A C31A 163.1(8) 6_565 . . . ?
Sc2A C29A C30A C31A 40.5(6) . . . . ?
C65A C29A C30A C31A 22.0(11) 6_565 . . 6_565 ?
C28A C29A C30A C31A 152.8(11) . . . 6_565 ?
C66A C29A C30A C31A 132.5(16) 6_565 . . 6_565 ?
C34A C29A C30A C31A 5.5(8) . . . 6_565 ?
C24A C29A C30A C31A 169.4(9) 6_565 . . 6_565 ?
C25A C29A C30A C31A 176.4(8) 6_565 . . 6_565 ?
Sc2A C29A C30A C31A 53.8(5) . . . 6_565 ?
C65A C29A C30A C25A -154.4(13) 6_565 . . 6_565 ?
C31A C29A C30A C25A -176.4(8) 6_565 . . 6_565 ?
C28A C29A C30A C25A -23.6(8) . . . 6_565 ?
C66A C29A C30A C25A -43.9(14) 6_565 . . 6_565 ?
C34A C29A C30A C25A -170.9(8) . . . 6_565 ?
C24A C29A C30A C25A -7.0(5) 6_565 . . 6_565 ?
Sc2A C29A C30A C25A -122.6(5) . . . 6_565 ?
C65A C29A C30A C25A -145.9(12) 6_565 . . . ?
C31A C29A C30A C25A -168.0(8) 6_565 . . . ?
C28A C29A C30A C25A -15.1(10) . . . . ?
C66A C29A C30A C25A -35.5(16) 6_565 . . . ?
C34A C29A C30A C25A -162.5(8) . . . . ?
C24A C29A C30A C25A 1.4(7) 6_565 . . . ?
C25A C29A C30A C25A 8.4(3) 6_565 . . . ?
Sc2A C29A C30A C25A -114.1(5) . . . . ?
C65A C29A C30A C29A -46(3) 6_565 . . 6_565 ?
C31A C29A C30A C29A -68(2) 6_565 . . 6_565 ?
C28A C29A C30A C29A 85(2) . . . 6_565 ?
C66A C29A C30A C29A 64(3) 6_565 . . 6_565 ?
C34A C29A C30A C29A -63(2) . . . 6_565 ?
C24A C29A C30A C29A 101(2) 6_565 . . 6_565 ?
C25A C29A C30A C29A 108(2) 6_565 . . 6_565 ?
Sc2A C29A C30A C29A -14(2) . . . 6_565 ?
C31A C30A C31A C29A -167.9(4) 6_565 . . 6_565 ?
C25A C30A C31A C29A -37(2) 6_565 . . 6_565 ?
C25A C30A C31A C29A -3.9(9) . . . 6_565 ?
C29A C30A C31A C29A -157.2(8) . . . 6_565 ?
C31A C30A C31A C34A -158.6(13) 6_565 . . 6_565 ?
C25A C30A C31A C34A -27(3) 6_565 . . 6_565 ?
C25A C30A C31A C34A 5.3(18) . . . 6_565 ?
C29A C30A C31A C34A 9.3(13) 6_565 . . 6_565 ?
C29A C30A C31A C34A -148.0(14) . . . 6_565 ?
C31A C30A C31A C32A -2.5(11) 6_565 . . . ?
C25A C30A C31A C32A 128.9(17) 6_565 . . . ?
C25A C30A C31A C32A 161.5(8) . . . . ?
C29A C30A C31A C32A 165.4(12) 6_565 . . . ?
C29A C30A C31A C32A 8.2(11) . . . . ?
C31A C30A C31A C65A -153.8(6) 6_565 . . . ?
C25A C30A C31A C65A -22(2) 6_565 . . . ?
C25A C30A C31A C65A 10.2(11) . . . . ?
C29A C30A C31A C65A 14.1(7) 6_565 . . . ?
C29A C30A C31A C65A -143.1(7) . . . . ?
C31A C30A C31A C33A -11(3) 6_565 . . 6_565 ?
C25A C30A C31A C33A 121(2) 6_565 . . 6_565 ?
C25A C30A C31A C33A 153(2) . . . 6_565 ?
C29A C30A C31A C33A 157(3) 6_565 . . 6_565 ?
C29A C30A C31A C33A 0(3) . . . 6_565 ?
C25A C30A C31A C31A 131(2) 6_565 . . 6_565 ?
C25A C30A C31A C31A 164.0(9) . . . 6_565 ?
C29A C30A C31A C31A 167.9(4) 6_565 . . 6_565 ?
C29A C30A C31A C31A 10.7(4) . . . 6_565 ?
C31A C30A C31A C32A -1.9(8) 6_565 . . 6_565 ?
C25A C30A C31A C32A 129.4(17) 6_565 . . 6_565 ?
C25A C30A C31A C32A 162.0(7) . . . 6_565 ?
C29A C30A C31A C32A 166.0(9) 6_565 . . 6_565 ?
C29A C30A C31A C32A 8.7(9) . . . 6_565 ?
C31A C30A C31A Sc2A -73.5(5) 6_565 . . 6_565 ?
C25A C30A C31A Sc2A 57.9(19) 6_565 . . 6_565 ?
C25A C30A C31A Sc2A 90.5(7) . . . 6_565 ?
C29A C30A C31A Sc2A 94.4(7) 6_565 . . 6_565 ?
C29A C30A C31A Sc2A -62.8(7) . . . 6_565 ?
C31A C30A C31A Sc2A -51.9(4) 6_565 . . . ?
C25A C30A C31A Sc2A 79.5(18) 6_565 . . . ?
C25A C30A C31A Sc2A 112.1(6) . . . . ?
C29A C30A C31A Sc2A 116.0(6) 6_565 . . . ?
C29A C30A C31A Sc2A -41.2(6) . . . . ?
C29A C31A C32A C32A 129(3) 6_565 . . 6_565 ?
C34A C31A C32A C32A 167.9(7) 6_565 . . 6_565 ?
C30A C31A C32A C32A 2.2(10) . . . 6_565 ?
C65A C31A C32A C32A 154.5(6) . . . 6_565 ?
C33A C31A C32A C32A 177.1(10) 6_565 . . 6_565 ?
C31A C31A C32A C32A -0.012(10) 6_565 . . 6_565 ?
Sc2A C31A C32A C32A 95.0(4) 6_565 . . 6_565 ?
Sc2A C31A C32A C32A 64.7(3) . . . 6_565 ?
C29A C31A C32A C33A -48(4) 6_565 . . 6_565 ?
C34A C31A C32A C33A -9.2(11) 6_565 . . 6_565 ?
C30A C31A C32A C33A -174.9(11) . . . 6_565 ?
C65A C31A C32A C33A -22.6(12) . . . 6_565 ?
C31A C31A C32A C33A -177.1(10) 6_565 . . 6_565 ?
C32A C31A C32A C33A -177.1(10) 6_565 . . 6_565 ?
Sc2A C31A C32A C33A -82.1(9) 6_565 . . 6_565 ?
Sc2A C31A C32A C33A -112.4(10) . . . 6_565 ?
C29A C31A C32A C33A 127(3) 6_565 . . . ?
C34A C31A C32A C33A 165.7(11) 6_565 . . . ?
C30A C31A C32A C33A 0.0(14) . . . . ?
C65A C31A C32A C33A 152.4(9) . . . . ?
C33A C31A C32A C33A 175.0(17) 6_565 . . . ?
C31A C31A C32A C33A -2.2(7) 6_565 . . . ?
C32A C31A C32A C33A -2.1(7) 6_565 . . . ?
Sc2A C31A C32A C33A 92.8(9) 6_565 . . . ?
Sc2A C31A C32A C33A 62.6(8) . . . . ?
C29A C31A C32A C62A -8(4) 6_565 . . . ?
C34A C31A C32A C62A 30.2(13) 6_565 . . . ?
C30A C31A C32A C62A -135.5(9) . . . . ?
C65A C31A C32A C62A 16.9(14) . . . . ?
C33A C31A C32A C62A 39.5(10) 6_565 . . . ?
C31A C31A C32A C62A -137.7(11) 6_565 . . . ?
C32A C31A C32A C62A -137.6(11) 6_565 . . . ?
Sc2A C31A C32A C62A -42.7(8) 6_565 . . . ?
Sc2A C31A C32A C62A -72.9(9) . . . . ?
C29A C31A C32A C62A 68(4) 6_565 . . 6_565 ?
C34A C31A C32A C62A 106.2(14) 6_565 . . 6_565 ?
C30A C31A C32A C62A -59.5(16) . . . 6_565 ?
C65A C31A C32A C62A 92.8(14) . . . 6_565 ?
C33A C31A C32A C62A 115.4(17) 6_565 . . 6_565 ?
C31A C31A C32A C62A -61.7(12) 6_565 . . 6_565 ?
C32A C31A C32A C62A -61.7(12) 6_565 . . 6_565 ?
Sc2A C31A C32A C62A 33.3(12) 6_565 . . 6_565 ?
Sc2A C31A C32A C62A 3.0(11) . . . 6_565 ?
C29A C31A C32A C31A 130(3) 6_565 . . 6_565 ?
C34A C31A C32A C31A 167.9(7) 6_565 . . 6_565 ?
C30A C31A C32A C31A 2.2(9) . . . 6_565 ?
C65A C31A C32A C31A 154.5(6) . . . 6_565 ?
C33A C31A C32A C31A 177.1(10) 6_565 . . 6_565 ?
C32A C31A C32A C31A 0.012(10) 6_565 . . 6_565 ?
Sc2A C31A C32A C31A 95.0(4) 6_565 . . 6_565 ?
Sc2A C31A C32A C31A 64.7(3) . . . 6_565 ?
C29A C31A C32A C37A -23(4) 6_565 . . 6_565 ?
C34A C31A C32A C37A 15.2(10) 6_565 . . 6_565 ?
C30A C31A C32A C37A -150.5(7) . . . 6_565 ?
C65A C31A C32A C37A 1.9(11) . . . 6_565 ?
C33A C31A C32A C37A 24.5(8) 6_565 . . 6_565 ?
C31A C31A C32A C37A -152.6(8) 6_565 . . 6_565 ?
C32A C31A C32A C37A -152.6(8) 6_565 . . 6_565 ?
Sc2A C31A C32A C37A -57.7(5) 6_565 . . 6_565 ?
Sc2A C31A C32A C37A -87.9(6) . . . 6_565 ?
C29A C31A C32A Sc2A 35(3) 6_565 . . 6_565 ?
C34A C31A C32A Sc2A 72.9(8) 6_565 . . 6_565 ?
C30A C31A C32A Sc2A -92.8(8) . . . 6_565 ?
C65A C31A C32A Sc2A 59.6(7) . . . 6_565 ?
C33A C31A C32A Sc2A 82.1(9) 6_565 . . 6_565 ?
C31A C31A C32A Sc2A -95.0(4) 6_565 . . 6_565 ?
C32A C31A C32A Sc2A -95.0(4) 6_565 . . 6_565 ?
Sc2A C31A C32A Sc2A -30.25(16) . . . 6_565 ?
C29A C31A C32A Sc2A 65(3) 6_565 . . . ?
C34A C31A C32A Sc2A 103.2(8) 6_565 . . . ?
C30A C31A C32A Sc2A -62.5(8) . . . . ?
C65A C31A C32A Sc2A 89.8(8) . . . . ?
C33A C31A C32A Sc2A 112.4(10) 6_565 . . . ?
C31A C31A C32A Sc2A -64.7(3) 6_565 . . . ?
C32A C31A C32A Sc2A -64.7(3) 6_565 . . . ?
Sc2A C31A C32A Sc2A 30.25(16) 6_565 . . . ?
C33A C32A C33A C32A 179.90(16) 6_565 . . 6_565 ?
C62A C32A C33A C32A 165(7) . . . 6_565 ?
C31A C32A C33A C32A 22(8) . . . 6_565 ?
C62A C32A C33A C32A 163(7) 6_565 . . 6_565 ?
C31A C32A C33A C32A 20(7) 6_565 . . 6_565 ?
C37A C32A C33A C32A 167(6) 6_565 . . 6_565 ?
Sc2A C32A C33A C32A 99(7) 6_565 . . 6_565 ?
Sc2A C32A C33A C32A 96(7) . . . 6_565 ?
C32A C32A C33A C62A -163(7) 6_565 . . 6_565 ?
C33A C32A C33A C62A 17(7) 6_565 . . 6_565 ?
C62A C32A C33A C62A 1.6(7) . . . 6_565 ?
C31A C32A C33A C62A -140.6(10) . . . 6_565 ?
C31A C32A C33A C62A -142.8(10) 6_565 . . 6_565 ?
C37A C32A C33A C62A 3.7(13) 6_565 . . 6_565 ?
Sc2A C32A C33A C62A -63.6(7) 6_565 . . 6_565 ?
Sc2A C32A C33A C62A -66.7(7) . . . 6_565 ?
C32A C32A C33A C34A -32(7) 6_565 . . . ?
C33A C32A C33A C34A 148(7) 6_565 . . . ?
C62A C32A C33A C34A 132.7(11) . . . . ?
C31A C32A C33A C34A -9.4(16) . . . . ?
C62A C32A C33A C34A 131.1(14) 6_565 . . . ?
C31A C32A C33A C34A -11.7(10) 6_565 . . . ?
C37A C32A C33A C34A 134.8(11) 6_565 . . . ?
Sc2A C32A C33A C34A 67.5(11) 6_565 . . . ?
Sc2A C32A C33A C34A 64.5(10) . . . . ?
C32A C32A C33A C37A -164(8) 6_565 . . . ?
C33A C32A C33A C37A 16(8) 6_565 . . . ?
C62A C32A C33A C37A 0.7(12) . . . . ?
C31A C32A C33A C37A -141.5(9) . . . . ?
C62A C32A C33A C37A -0.9(8) 6_565 . . . ?
C31A C32A C33A C37A -143.8(10) 6_565 . . . ?
C37A C32A C33A C37A 2.7(13) 6_565 . . . ?
Sc2A C32A C33A C37A -64.5(8) 6_565 . . . ?
Sc2A C32A C33A C37A -67.6(7) . . . . ?
C32A C32A C33A C31A -20(7) 6_565 . . 6_565 ?
C33A C32A C33A C31A 160(7) 6_565 . . 6_565 ?
C62A C32A C33A C31A 144.4(9) . . . 6_565 ?
C31A C32A C33A C31A 2.3(8) . . . 6_565 ?
C62A C32A C33A C31A 142.8(10) 6_565 . . 6_565 ?
C37A C32A C33A C31A 146.5(11) 6_565 . . 6_565 ?
Sc2A C32A C33A C31A 79.2(6) 6_565 . . 6_565 ?
Sc2A C32A C33A C31A 76.2(5) . . . 6_565 ?
C32A C32A C33A C63A -135(8) 6_565 . . 6_565 ?
C33A C32A C33A C63A 45(8) 6_565 . . 6_565 ?
C62A C32A C33A C63A 29.4(12) . . . 6_565 ?
C31A C32A C33A C63A -112.7(10) . . . 6_565 ?
C62A C32A C33A C63A 27.8(8) 6_565 . . 6_565 ?
C31A C32A C33A C63A -115.0(11) 6_565 . . 6_565 ?
C37A C32A C33A C63A 31.5(15) 6_565 . . 6_565 ?
Sc2A C32A C33A C63A -35.8(9) 6_565 . . 6_565 ?
Sc2A C32A C33A C63A -38.8(8) . . . 6_565 ?
C32A C32A C33A C65A -39(7) 6_565 . . 6_565 ?
C33A C32A C33A C65A 141(7) 6_565 . . 6_565 ?
C62A C32A C33A C65A 125.8(9) . . . 6_565 ?
C31A C32A C33A C65A -16.4(14) . . . 6_565 ?
C62A C32A C33A C65A 124.2(12) 6_565 . . 6_565 ?
C31A C32A C33A C65A -18.6(7) 6_565 . . 6_565 ?
C37A C32A C33A C65A 127.8(9) 6_565 . . 6_565 ?
Sc2A C32A C33A C65A 60.6(8) 6_565 . . 6_565 ?
Sc2A C32A C33A C65A 57.5(7) . . . 6_565 ?
C32A C32A C33A Sc2A -96(7) 6_565 . . . ?
C33A C32A C33A Sc2A 84(7) 6_565 . . . ?
C62A C32A C33A Sc2A 68.2(7) . . . . ?
C31A C32A C33A Sc2A -73.9(9) . . . . ?
C62A C32A C33A Sc2A 66.7(7) 6_565 . . . ?
C31A C32A C33A Sc2A -76.2(5) 6_565 . . . ?
C37A C32A C33A Sc2A 70.3(10) 6_565 . . . ?
Sc2A C32A C33A Sc2A 3.0(3) 6_565 . . . ?
C32A C32A C33A Sc2A -99(7) 6_565 . . 6_565 ?
C33A C32A C33A Sc2A 81(7) 6_565 . . 6_565 ?
C62A C32A C33A Sc2A 65.2(7) . . . 6_565 ?
C31A C32A C33A Sc2A -76.9(9) . . . 6_565 ?
C62A C32A C33A Sc2A 63.6(7) 6_565 . . 6_565 ?
C31A C32A C33A Sc2A -79.2(6) 6_565 . . 6_565 ?
C37A C32A C33A Sc2A 67.3(9) 6_565 . . 6_565 ?
Sc2A C32A C33A Sc2A -3.0(3) . . . 6_565 ?
C32A C33A C34A C65A -45(4) 6_565 . . 6_565 ?
C62A C33A C34A C65A 58(4) 6_565 . . 6_565 ?
C37A C33A C34A C65A 89(4) . . . 6_565 ?
C32A C33A C34A C65A -43(4) . . . 6_565 ?
C31A C33A C34A C65A -57(3) 6_565 . . 6_565 ?
C63A C33A C34A C65A 78(4) 6_565 . . 6_565 ?
Sc2A C33A C34A C65A 20(3) . . . 6_565 ?
Sc2A C33A C34A C65A 2(4) 6_565 . . 6_565 ?
C32A C33A C34A C31A 12.2(13) 6_565 . . 6_565 ?
C62A C33A C34A C31A 114.9(13) 6_565 . . 6_565 ?
C37A C33A C34A C31A 145.6(10) . . . 6_565 ?
C32A C33A C34A C31A 13.7(11) . . . 6_565 ?
C63A C33A C34A C31A 134.6(9) 6_565 . . 6_565 ?
C65A C33A C34A C31A 57(3) 6_565 . . 6_565 ?
Sc2A C33A C34A C31A 77.0(6) . . . 6_565 ?
Sc2A C33A C34A C31A 59.1(6) 6_565 . . 6_565 ?
C32A C33A C34A C35A -131.7(14) 6_565 . . . ?
C62A C33A C34A C35A -29.0(16) 6_565 . . . ?
C37A C33A C34A C35A 1.7(13) . . . . ?
C32A C33A C34A C35A -130.2(12) . . . . ?
C31A C33A C34A C35A -143.9(13) 6_565 . . . ?
C63A C33A C34A C35A -9.3(11) 6_565 . . . ?
C65A C33A C34A C35A -87(4) 6_565 . . . ?
Sc2A C33A C34A C35A -66.9(9) . . . . ?
Sc2A C33A C34A C35A -84.8(9) 6_565 . . . ?
C32A C33A C34A C64A -124.5(15) 6_565 . . 6_565 ?
C62A C33A C34A C64A -21.7(17) 6_565 . . 6_565 ?
C37A C33A C34A C64A 8.9(14) . . . 6_565 ?
C32A C33A C34A C64A -123.0(12) . . . 6_565 ?
C31A C33A C34A C64A -136.6(14) 6_565 . . 6_565 ?
C63A C33A C34A C64A -2.0(11) 6_565 . . 6_565 ?
C65A C33A C34A C64A -80(4) 6_565 . . 6_565 ?
Sc2A C33A C34A C64A -59.6(10) . . . 6_565 ?
Sc2A C33A C34A C64A -77.5(10) 6_565 . . 6_565 ?
C32A C33A C34A C29A 8.0(19) 6_565 . . . ?
C62A C33A C34A C29A 110.7(12) 6_565 . . . ?
C37A C33A C34A C29A 141.4(9) . . . . ?
C32A C33A C34A C29A 9.5(17) . . . . ?
C31A C33A C34A C29A -4.2(8) 6_565 . . . ?
C63A C33A C34A C29A 130.4(11) 6_565 . . . ?
C65A C33A C34A C29A 53(3) 6_565 . . . ?
Sc2A C33A C34A C29A 72.8(10) . . . . ?
Sc2A C33A C34A C29A 55.0(10) 6_565 . . . ?
C32A C33A C34A C66A -36(3) 6_565 . . 6_565 ?
C62A C33A C34A C66A 66(2) 6_565 . . 6_565 ?
C37A C33A C34A C66A 97.0(18) . . . 6_565 ?
C32A C33A C34A C66A -35(2) . . . 6_565 ?
C31A C33A C34A C66A -48.6(18) 6_565 . . 6_565 ?
C63A C33A C34A C66A 86.0(19) 6_565 . . 6_565 ?
C65A C33A C34A C66A 8(2) 6_565 . . 6_565 ?
Sc2A C33A C34A C66A 28.4(18) . . . 6_565 ?
Sc2A C33A C34A C66A 10.5(19) 6_565 . . 6_565 ?
C32A C33A C34A Sc2A -64.8(12) 6_565 . . . ?
C62A C33A C34A Sc2A 37.9(11) 6_565 . . . ?
C37A C33A C34A Sc2A 68.6(7) . . . . ?
C32A C33A C34A Sc2A -63.3(10) . . . . ?
C31A C33A C34A Sc2A -77.0(6) 6_565 . . . ?
C63A C33A C34A Sc2A 57.6(5) 6_565 . . . ?
C65A C33A C34A Sc2A -20(3) 6_565 . . . ?
Sc2A C33A C34A Sc2A -17.87(16) 6_565 . . . ?
C31A C29A C34A C65A 153(3) 6_565 . . 6_565 ?
C28A C29A C34A C65A -2(3) . . . 6_565 ?
C66A C29A C34A C65A -8(2) 6_565 . . 6_565 ?
C30A C29A C34A C65A 147(2) . . . 6_565 ?
C24A C29A C34A C65A -8(3) 6_565 . . 6_565 ?
C25A C29A C34A C65A 118(3) 6_565 . . 6_565 ?
Sc2A C29A C34A C65A 87(2) . . . 6_565 ?
C65A C29A C34A C31A -153(3) 6_565 . . 6_565 ?
C28A C29A C34A C31A -154.0(11) . . . 6_565 ?
C66A C29A C34A C31A -160.5(10) 6_565 . . 6_565 ?
C30A C29A C34A C31A -5.6(8) . . . 6_565 ?
C24A C29A C34A C31A -160.3(13) 6_565 . . 6_565 ?
C25A C29A C34A C31A -34(3) 6_565 . . 6_565 ?
Sc2A C29A C34A C31A -65.9(7) . . . 6_565 ?
C65A C29A C34A C33A -148(3) 6_565 . . . ?
C31A C29A C34A C33A 4.9(10) 6_565 . . . ?
C28A C29A C34A C33A -149.1(10) . . . . ?
C66A C29A C34A C33A -155.6(12) 6_565 . . . ?
C30A C29A C34A C33A -0.7(13) . . . . ?
C24A C29A C34A C33A -155.4(11) 6_565 . . . ?
C25A C29A C34A C33A -30(3) 6_565 . . . ?
Sc2A C29A C34A C33A -60.9(10) . . . . ?
C65A C29A C34A C35A -13.0(19) 6_565 . . . ?
C31A C29A C34A C35A 139.5(14) 6_565 . . . ?
C28A C29A C34A C35A -14.5(15) . . . . ?
C66A C29A C34A C35A -21.0(12) 6_565 . . . ?
C30A C29A C34A C35A 133.9(10) . . . . ?
C24A C29A C34A C35A -20.8(19) 6_565 . . . ?
C25A C29A C34A C35A 105(3) 6_565 . . . ?
Sc2A C29A C34A C35A 73.6(11) . . . . ?
C65A C29A C34A C64A -26.3(18) 6_565 . . 6_565 ?
C31A C29A C34A C64A 126.2(15) 6_565 . . 6_565 ?
C28A C29A C34A C64A -27.8(16) . . . 6_565 ?
C66A C29A C34A C64A -34.4(13) 6_565 . . 6_565 ?
C30A C29A C34A C64A 120.5(11) . . . 6_565 ?
C24A C29A C34A C64A -34(2) 6_565 . . 6_565 ?
C25A C29A C34A C64A 92(3) 6_565 . . 6_565 ?
Sc2A C29A C34A C64A 60.3(12) . . . 6_565 ?
C65A C29A C34A C66A 8(2) 6_565 . . 6_565 ?
C31A C29A C34A C66A 160.5(10) 6_565 . . 6_565 ?
C28A C29A C34A C66A 6.5(10) . . . 6_565 ?
C30A C29A C34A C66A 154.9(9) . . . 6_565 ?
C24A C29A C34A C66A 0.2(11) 6_565 . . 6_565 ?
C25A C29A C34A C66A 126(3) 6_565 . . 6_565 ?
Sc2A C29A C34A C66A 94.7(6) . . . 6_565 ?
C65A C29A C34A Sc2A -87(2) 6_565 . . . ?
C31A C29A C34A Sc2A 65.9(7) 6_565 . . . ?
C28A C29A C34A Sc2A -88.2(8) . . . . ?
C66A C29A C34A Sc2A -94.7(6) 6_565 . . . ?
C30A C29A C34A Sc2A 60.2(6) . . . . ?
C24A C29A C34A Sc2A -94.5(11) 6_565 . . . ?
C25A C29A C34A Sc2A 31(3) 6_565 . . . ?
C65A C34A C35A C64A -111(6) 6_565 . . 6_565 ?
C31A C34A C35A C64A -36(5) 6_565 . . 6_565 ?
C33A C34A C35A C64A 39(5) . . . 6_565 ?
C29A C34A C35A C64A -101(5) . . . 6_565 ?
C66A C34A C35A C64A -116(5) 6_565 . . 6_565 ?
Sc2A C34A C35A C64A -21(5) . . . 6_565 ?
C31A C34A C35A C65A 74(2) 6_565 . . 6_565 ?
C33A C34A C35A C65A 149(2) . . . 6_565 ?
C64A C34A C35A C65A 111(6) 6_565 . . 6_565 ?
C29A C34A C35A C65A 9.8(15) . . . 6_565 ?
C66A C34A C35A C65A -5.4(16) 6_565 . . 6_565 ?
Sc2A C34A C35A C65A 89.7(19) . . . 6_565 ?
C65A C34A C35A C36A -147(2) 6_565 . . . ?
C31A C34A C35A C36A -73.4(18) 6_565 . . . ?
C33A C34A C35A C36A 1.8(15) . . . . ?
C64A C34A C35A C36A -37(5) 6_565 . . . ?
C29A C34A C35A C36A -137.7(11) . . . . ?
C66A C34A C35A C36A -152.9(13) 6_565 . . . ?
Sc2A C34A C35A C36A -57.8(10) . . . . ?
C65A C34A C35A C68A -20(3) 6_565 . . 6_565 ?
C31A C34A C35A C68A 54(2) 6_565 . . 6_565 ?
C33A C34A C35A C68A 128.8(17) . . . 6_565 ?
C64A C34A C35A C68A 90(6) 6_565 . . 6_565 ?
C29A C34A C35A C68A -11(2) . . . 6_565 ?
C66A C34A C35A C68A -25.9(18) 6_565 . . 6_565 ?
Sc2A C34A C35A C68A 69.2(18) . . . 6_565 ?
C65A C34A C35A C47A -4(2) 6_565 . . . ?
C31A C34A C35A C47A 70.2(19) 6_565 . . . ?
C33A C34A C35A C47A 145.4(13) . . . . ?
C64A C34A C35A C47A 107(6) 6_565 . . . ?
C29A C34A C35A C47A 5.8(18) . . . . ?
C66A C34A C35A C47A -9.3(13) 6_565 . . . ?
Sc2A C34A C35A C47A 85.7(13) . . . . ?
C65A C34A C35A C63A -139(2) 6_565 . . 6_565 ?
C31A C34A C35A C63A -64.7(16) 6_565 . . 6_565 ?
C33A C34A C35A C63A 10.5(12) . . . 6_565 ?
C64A C34A C35A C63A -28(5) 6_565 . . 6_565 ?
C29A C34A C35A C63A -129.1(11) . . . 6_565 ?
C66A C34A C35A C63A -144.2(11) 6_565 . . 6_565 ?
Sc2A C34A C35A C63A -49.2(7) . . . 6_565 ?
C65A C34A C35A Sc2A -89.7(19) 6_565 . . . ?
C31A C34A C35A Sc2A -15.5(13) 6_565 . . . ?
C33A C34A C35A Sc2A 59.7(8) . . . . ?
C64A C34A C35A Sc2A 21(5) 6_565 . . . ?
C29A C34A C35A Sc2A -79.9(9) . . . . ?
C66A C34A C35A Sc2A -95.0(6) 6_565 . . . ?
C64A C35A C36A C63A -42(6) 6_565 . . 6_565 ?
C65A C35A C36A C63A 8(3) 6_565 . . 6_565 ?
C34A C35A C36A C63A 26(3) . . . 6_565 ?
C68A C35A C36A C63A -121(3) 6_565 . . 6_565 ?
C47A C35A C36A C63A -118(3) . . . 6_565 ?
Sc2A C35A C36A C63A -31(2) . . . 6_565 ?
C65A C35A C36A C64A 51(5) 6_565 . . 6_565 ?
C34A C35A C36A C64A 68(6) . . . 6_565 ?
C68A C35A C36A C64A -79(6) 6_565 . . 6_565 ?
C47A C35A C36A C64A -76(6) . . . 6_565 ?
C63A C35A C36A C64A 42(6) 6_565 . . 6_565 ?
Sc2A C35A C36A C64A 11(6) . . . 6_565 ?
C64A C35A C36A C37A -73(6) 6_565 . . . ?
C65A C35A C36A C37A -22(2) 6_565 . . . ?
C34A C35A C36A C37A -4.5(15) . . . . ?
C68A C35A C36A C37A -151.4(11) 6_565 . . . ?
C47A C35A C36A C37A -148.5(13) . . . . ?
C63A C35A C36A C37A -31(2) 6_565 . . . ?
Sc2A C35A C36A C37A -61.7(8) . . . . ?
C64A C35A C36A C60A 48(6) 6_565 . . 6_565 ?
C65A C35A C36A C60A 98.2(17) 6_565 . . 6_565 ?
C34A C35A C36A C60A 115.8(15) . . . 6_565 ?
C68A C35A C36A C60A -31(2) 6_565 . . 6_565 ?
C47A C35A C36A C60A -28(2) . . . 6_565 ?
C63A C35A C36A C60A 90(3) 6_565 . . 6_565 ?
Sc2A C35A C36A C60A 58.7(15) . . . 6_565 ?
C64A C35A C36A C41A 70(6) 6_565 . . . ?
C65A C35A C36A C41A 120.7(15) 6_565 . . . ?
C34A C35A C36A C41A 138.4(12) . . . . ?
C68A C35A C36A C41A -8.5(17) 6_565 . . . ?
C47A C35A C36A C41A -5.6(19) . . . . ?
C63A C35A C36A C41A 112(3) 6_565 . . . ?
Sc2A C35A C36A C41A 81.2(11) . . . . ?
C64A C35A C36A Sc2A -11(6) 6_565 . . . ?
C65A C35A C36A Sc2A 39.5(15) 6_565 . . . ?
C34A C35A C36A Sc2A 57.2(10) . . . . ?
C68A C35A C36A Sc2A -89.7(11) 6_565 . . . ?
C47A C35A C36A Sc2A -86.8(13) . . . . ?
C63A C35A C36A Sc2A 31(2) 6_565 . . . ?
C32A C33A C37A C62A 0.9(15) 6_565 . . 6_565 ?
C34A C33A C37A C62A -138.2(15) . . . 6_565 ?
C32A C33A C37A C62A 1.6(14) . . . 6_565 ?
C31A C33A C37A C62A -83.5(17) 6_565 . . 6_565 ?
C63A C33A C37A C62A -114.4(19) 6_565 . . 6_565 ?
C65A C33A C37A C62A -128.7(14) 6_565 . . 6_565 ?
Sc2A C33A C37A C62A -67.0(12) . . . 6_565 ?
Sc2A C33A C37A C62A -42.4(12) 6_565 . . 6_565 ?
C32A C33A C37A C63A 115.3(15) 6_565 . . 6_565 ?
C62A C33A C37A C63A 114.4(19) 6_565 . . 6_565 ?
C34A C33A C37A C63A -23.8(15) . . . 6_565 ?
C32A C33A C37A C63A 116.0(13) . . . 6_565 ?
C31A C33A C37A C63A 30.9(19) 6_565 . . 6_565 ?
C65A C33A C37A C63A -14.3(14) 6_565 . . 6_565 ?
Sc2A C33A C37A C63A 47.4(11) . . . 6_565 ?
Sc2A C33A C37A C63A 72.0(12) 6_565 . . 6_565 ?
C32A C33A C37A C38A 2.6(14) 6_565 . . . ?
C62A C33A C37A C38A 1.7(11) 6_565 . . . ?
C34A C33A C37A C38A -136.5(10) . . . . ?
C32A C33A C37A C38A 3.3(11) . . . . ?
C31A C33A C37A C38A -81.7(15) 6_565 . . . ?
C63A C33A C37A C38A -112.7(15) 6_565 . . . ?
C65A C33A C37A C38A -127.0(8) 6_565 . . . ?
Sc2A C33A C37A C38A -65.3(7) . . . . ?
Sc2A C33A C37A C38A -40.7(7) 6_565 . . . ?
C32A C33A C37A C36A 134.6(12) 6_565 . . . ?
C62A C33A C37A C36A 133.8(16) 6_565 . . . ?
C34A C33A C37A C36A -4.4(12) . . . . ?
C32A C33A C37A C36A 135.4(10) . . . . ?
C31A C33A C37A C36A 50.3(16) 6_565 . . . ?
C63A C33A C37A C36A 19.4(11) 6_565 . . . ?
C65A C33A C37A C36A 5.0(10) 6_565 . . . ?
Sc2A C33A C37A C36A 66.7(8) . . . . ?
Sc2A C33A C37A C36A 91.4(8) 6_565 . . . ?
C62A C33A C37A C32A -0.9(15) 6_565 . . 6_565 ?
C34A C33A C37A C32A -139.1(16) . . . 6_565 ?
C32A C33A C37A C32A 0.7(3) . . . 6_565 ?
C31A C33A C37A C32A -84.4(17) 6_565 . . 6_565 ?
C63A C33A C37A C32A -115.3(15) 6_565 . . 6_565 ?
C65A C33A C37A C32A -129.6(14) 6_565 . . 6_565 ?
Sc2A C33A C37A C32A -67.9(11) . . . 6_565 ?
Sc2A C33A C37A C32A -43.3(10) 6_565 . . 6_565 ?
C32A C33A C37A C38A 1.0(12) 6_565 . . 6_565 ?
C62A C33A C37A C38A 0.1(11) 6_565 . . 6_565 ?
C34A C33A C37A C38A -138.1(9) . . . 6_565 ?
C32A C33A C37A C38A 1.7(9) . . . 6_565 ?
C31A C33A C37A C38A -83.3(14) 6_565 . . 6_565 ?
C63A C33A C37A C38A -114.3(14) 6_565 . . 6_565 ?
C65A C33A C37A C38A -128.6(7) 6_565 . . 6_565 ?
Sc2A C33A C37A C38A -66.9(4) . . . 6_565 ?
Sc2A C33A C37A C38A -42.3(4) 6_565 . . 6_565 ?
C32A C33A C37A Sc2A 67.9(11) 6_565 . . . ?
C62A C33A C37A Sc2A 67.0(12) 6_565 . . . ?
C34A C33A C37A Sc2A -71.2(8) . . . . ?
C32A C33A C37A Sc2A 68.6(7) . . . . ?
C31A C33A C37A Sc2A -16.5(12) 6_565 . . . ?
C63A C33A C37A Sc2A -47.4(11) 6_565 . . . ?
C65A C33A C37A Sc2A -61.7(6) 6_565 . . . ?
Sc2A C33A C37A Sc2A 24.63(13) 6_565 . . . ?
C63A C36A C37A C62A -20(3) 6_565 . . 6_565 ?
C64A C36A C37A C62A 70(2) 6_565 . . 6_565 ?
C35A C36A C37A C62A 79.2(18) . . . 6_565 ?
C60A C36A C37A C62A -68.1(17) 6_565 . . 6_565 ?
C41A C36A C37A C62A -64.1(19) . . . 6_565 ?
Sc2A C36A C37A C62A 11.7(14) . . . 6_565 ?
C64A C36A C37A C63A 91(4) 6_565 . . 6_565 ?
C35A C36A C37A C63A 100(3) . . . 6_565 ?
C60A C36A C37A C63A -48(3) 6_565 . . 6_565 ?
C41A C36A C37A C63A -44(3) . . . 6_565 ?
Sc2A C36A C37A C63A 32(3) . . . 6_565 ?
C63A C36A C37A C38A 31(3) 6_565 . . . ?
C64A C36A C37A C38A 121.2(14) 6_565 . . . ?
C35A C36A C37A C38A 130.2(11) . . . . ?
C60A C36A C37A C38A -17.1(12) 6_565 . . . ?
C41A C36A C37A C38A -13.1(15) . . . . ?
Sc2A C36A C37A C38A 62.7(8) . . . . ?
C63A C36A C37A C33A -94(3) 6_565 . . . ?
C64A C36A C37A C33A -3.5(15) 6_565 . . . ?
C35A C36A C37A C33A 5.4(13) . . . . ?
C60A C36A C37A C33A -141.8(10) 6_565 . . . ?
C41A C36A C37A C33A -137.9(11) . . . . ?
Sc2A C36A C37A C33A -62.0(7) . . . . ?
C63A C36A C37A C32A -71(3) 6_565 . . 6_565 ?
C64A C36A C37A C32A 20.0(17) 6_565 . . 6_565 ?
C35A C36A C37A C32A 28.9(14) . . . 6_565 ?
C60A C36A C37A C32A -118.3(9) 6_565 . . 6_565 ?
C41A C36A C37A C32A -114.4(11) . . . 6_565 ?
Sc2A C36A C37A C32A -38.5(7) . . . 6_565 ?
C63A C36A C37A C38A 21(3) 6_565 . . 6_565 ?
C64A C36A C37A C38A 111.5(13) 6_565 . . 6_565 ?
C35A C36A C37A C38A 120.4(10) . . . 6_565 ?
C60A C36A C37A C38A -26.8(12) 6_565 . . 6_565 ?
C41A C36A C37A C38A -22.9(15) . . . 6_565 ?
Sc2A C36A C37A C38A 53.0(7) . . . 6_565 ?
C63A C36A C37A Sc2A -32(3) 6_565 . . . ?
C64A C36A C37A Sc2A 58.5(13) 6_565 . . . ?
C35A C36A C37A Sc2A 67.5(9) . . . . ?
C60A C36A C37A Sc2A -79.8(8) 6_565 . . . ?
C41A C36A C37A Sc2A -75.8(11) . . . . ?
C62A C37A C38A C38A -6(2) 6_565 . . 6_565 ?
C63A C37A C38A C38A -123.6(11) 6_565 . . 6_565 ?
C33A C37A C38A C38A -8.7(15) . . . 6_565 ?
C36A C37A C38A C38A -133.2(9) . . . 6_565 ?
C32A C37A C38A C38A -7.5(12) 6_565 . . 6_565 ?
Sc2A C37A C38A C38A -70.0(9) . . . 6_565 ?
C63A C37A C38A C62A -117(2) 6_565 . . 6_565 ?
C33A C37A C38A C62A -2.4(15) . . . 6_565 ?
C36A C37A C38A C62A -127(2) . . . 6_565 ?
C32A C37A C38A C62A -1.2(15) 6_565 . . 6_565 ?
C38A C37A C38A C62A 6(2) 6_565 . . 6_565 ?
Sc2A C37A C38A C62A -63.7(16) . . . 6_565 ?
C62A C37A C38A C62A -3.7(12) 6_565 . . . ?
C63A C37A C38A C62A -121.1(14) 6_565 . . . ?
C33A C37A C38A C62A -6.1(11) . . . . ?
C36A C37A C38A C62A -130.6(10) . . . . ?
C32A C37A C38A C62A -4.9(8) 6_565 . . . ?
C38A C37A C38A C62A 2.6(8) 6_565 . . . ?
Sc2A C37A C38A C62A -67.4(7) . . . . ?
C62A C37A C38A C39A 139.7(18) 6_565 . . . ?
C63A C37A C38A C39A 22.4(15) 6_565 . . . ?
C33A C37A C38A C39A 137.4(9) . . . . ?
C36A C37A C38A C39A 12.9(13) . . . . ?
C32A C37A C38A C39A 138.6(9) 6_565 . . . ?
C38A C37A C38A C39A 146.0(15) 6_565 . . . ?
Sc2A C37A C38A C39A 76.1(8) . . . . ?
C62A C37A C38A C39A 130.4(19) 6_565 . . 6_565 ?
C63A C37A C38A C39A 13.0(19) 6_565 . . 6_565 ?
C33A C37A C38A C39A 128.0(11) . . . 6_565 ?
C36A C37A C38A C39A 3.5(17) . . . 6_565 ?
C32A C37A C38A C39A 129.2(12) 6_565 . . 6_565 ?
C38A C37A C38A C39A 136.6(19) 6_565 . . 6_565 ?
Sc2A C37A C38A C39A 66.7(12) . . . 6_565 ?
C62A C37A C38A C63A 117(2) 6_565 . . 6_565 ?
C33A C37A C38A C63A 115.0(15) . . . 6_565 ?
C36A C37A C38A C63A -9.5(11) . . . 6_565 ?
C32A C37A C38A C63A 116.2(14) 6_565 . . 6_565 ?
C38A C37A C38A C63A 123.6(12) 6_565 . . 6_565 ?
Sc2A C37A C38A C63A 53.7(11) . . . 6_565 ?
C62A C37A C38A C37A -6(2) 6_565 . . 6_565 ?
C63A C37A C38A C37A -123.6(11) 6_565 . . 6_565 ?
C33A C37A C38A C37A -8.6(15) . . . 6_565 ?
C36A C37A C38A C37A -133.1(9) . . . 6_565 ?
C32A C37A C38A C37A -7.4(12) 6_565 . . 6_565 ?
C38A C37A C38A C37A 0.012(14) 6_565 . . 6_565 ?
Sc2A C37A C38A C37A -69.9(9) . . . 6_565 ?
C62A C37A C38A Sc2A 63.7(16) 6_565 . . . ?
C63A C37A C38A Sc2A -53.7(11) 6_565 . . . ?
C33A C37A C38A Sc2A 61.3(7) . . . . ?
C36A C37A C38A Sc2A -63.2(9) . . . . ?
C32A C37A C38A Sc2A 62.5(4) 6_565 . . . ?
C38A C37A C38A Sc2A 70.0(9) 6_565 . . . ?
C62A C37A C38A Sc2A 48.8(16) 6_565 . . 6_565 ?
C63A C37A C38A Sc2A -68.5(12) 6_565 . . 6_565 ?
C33A C37A C38A Sc2A 46.4(8) . . . 6_565 ?
C36A C37A C38A Sc2A -78.1(9) . . . 6_565 ?
C32A C37A C38A Sc2A 47.6(5) 6_565 . . 6_565 ?
C38A C37A C38A Sc2A 55.1(9) 6_565 . . 6_565 ?
Sc2A C37A C38A Sc2A -14.9(2) . . . 6_565 ?
C38A C38A C39A C39A 0.000(4) 6_565 . . 6_565 ?
C62A C38A C39A C39A -126.8(17) 6_565 . . 6_565 ?
C62A C38A C39A C39A -23.5(9) . . . 6_565 ?
C37A C38A C39A C39A -162.5(8) . . . 6_565 ?
C63A C38A C39A C39A -151.8(5) 6_565 . . 6_565 ?
C37A C38A C39A C39A -10.9(5) 6_565 . . 6_565 ?
Sc2A C38A C39A C39A -97.2(2) . . . 6_565 ?
Sc2A C38A C39A C39A -67.1(2) 6_565 . . 6_565 ?
C38A C38A C39A C61A 171.6(17) 6_565 . . 6_565 ?
C62A C38A C39A C61A 45(3) 6_565 . . 6_565 ?
C62A C38A C39A C61A 148.0(17) . . . 6_565 ?
C37A C38A C39A C61A 9(2) . . . 6_565 ?
C39A C38A C39A C61A 171.6(17) 6_565 . . 6_565 ?
C63A C38A C39A C61A 19.8(18) 6_565 . . 6_565 ?
C37A C38A C39A C61A 160.7(16) 6_565 . . 6_565 ?
Sc2A C38A C39A C61A 74.4(17) . . . 6_565 ?
Sc2A C38A C39A C61A 104.5(17) 6_565 . . 6_565 ?
C38A C38A C39A C61A 4.9(10) 6_565 . . . ?
C62A C38A C39A C61A -121.9(18) 6_565 . . . ?
C62A C38A C39A C61A -18.7(15) . . . . ?
C37A C38A C39A C61A -157.7(10) . . . . ?
C39A C38A C39A C61A 4.9(10) 6_565 . . . ?
C63A C38A C39A C61A -146.9(11) 6_565 . . . ?
C37A C38A C39A C61A -6.0(12) 6_565 . . . ?
Sc2A C38A C39A C61A -92.3(10) . . . . ?
Sc2A C38A C39A C61A -62.2(10) 6_565 . . . ?
C38A C38A C39A C40A 161.8(10) 6_565 . . . ?
C62A C38A C39A C40A 35(2) 6_565 . . . ?
C62A C38A C39A C40A 138.2(11) . . . . ?
C37A C38A C39A C40A -0.7(14) . . . . ?
C39A C38A C39A C40A 161.8(10) 6_565 . . . ?
C63A C38A C39A C40A 10.0(11) 6_565 . . . ?
C37A C38A C39A C40A 150.9(10) 6_565 . . . ?
Sc2A C38A C39A C40A 64.6(10) . . . . ?
Sc2A C38A C39A C40A 94.7(10) 6_565 . . . ?
C62A C38A C39A C38A -126.8(17) 6_565 . . 6_565 ?
C62A C38A C39A C38A -23.5(9) . . . 6_565 ?
C37A C38A C39A C38A -162.5(8) . . . 6_565 ?
C39A C38A C39A C38A 0.000(6) 6_565 . . 6_565 ?
C63A C38A C39A C38A -151.8(5) 6_565 . . 6_565 ?
C37A C38A C39A C38A -10.9(5) 6_565 . . 6_565 ?
Sc2A C38A C39A C38A -97.2(2) . . . 6_565 ?
Sc2A C38A C39A C38A -67.1(2) 6_565 . . 6_565 ?
C38A C38A C39A C60A 161.2(4) 6_565 . . 6_565 ?
C62A C38A C39A C60A 34.4(18) 6_565 . . 6_565 ?
C62A C38A C39A C60A 137.7(9) . . . 6_565 ?
C37A C38A C39A C60A -1.3(9) . . . 6_565 ?
C39A C38A C39A C60A 161.2(4) 6_565 . . 6_565 ?
C63A C38A C39A C60A 9.4(7) 6_565 . . 6_565 ?
C37A C38A C39A C60A 150.3(6) 6_565 . . 6_565 ?
Sc2A C38A C39A C60A 64.0(5) . . . 6_565 ?
Sc2A C38A C39A C60A 94.1(5) 6_565 . . 6_565 ?
C38A C38A C39A C40A 12.9(7) 6_565 . . 6_565 ?
C62A C38A C39A C40A -113.9(18) 6_565 . . 6_565 ?
C62A C38A C39A C40A -10.6(13) . . . 6_565 ?
C37A C38A C39A C40A -149.6(9) . . . 6_565 ?
C39A C38A C39A C40A 12.9(7) 6_565 . . 6_565 ?
C63A C38A C39A C40A -138.9(8) 6_565 . . 6_565 ?
C37A C38A C39A C40A 2.0(10) 6_565 . . 6_565 ?
Sc2A C38A C39A C40A -84.3(7) . . . 6_565 ?
Sc2A C38A C39A C40A -54.2(7) 6_565 . . 6_565 ?
C38A C38A C39A Sc2A 97.2(2) 6_565 . . . ?
C62A C38A C39A Sc2A -29.6(16) 6_565 . . . ?
C62A C38A C39A Sc2A 73.7(8) . . . . ?
C37A C38A C39A Sc2A -65.3(8) . . . . ?
C39A C38A C39A Sc2A 97.2(2) 6_565 . . . ?
C63A C38A C39A Sc2A -54.6(5) 6_565 . . . ?
C37A C38A C39A Sc2A 86.3(5) 6_565 . . . ?
Sc2A C38A C39A Sc2A 30.11(13) 6_565 . . . ?
C38A C38A C39A Sc2A 67.1(2) 6_565 . . 6_565 ?
C62A C38A C39A Sc2A -59.7(17) 6_565 . . 6_565 ?
C62A C38A C39A Sc2A 43.5(8) . . . 6_565 ?
C37A C38A C39A Sc2A -95.4(8) . . . 6_565 ?
C39A C38A C39A Sc2A 67.1(2) 6_565 . . 6_565 ?
C63A C38A C39A Sc2A -84.7(6) 6_565 . . 6_565 ?
C37A C38A C39A Sc2A 56.2(5) 6_565 . . 6_565 ?
Sc2A C38A C39A Sc2A -30.11(13) . . . 6_565 ?
C39A C39A C40A C61A -70(5) 6_565 . . 6_565 ?
C61A C39A C40A C61A -61(5) . . . 6_565 ?
C38A C39A C40A C61A 143(5) . . . 6_565 ?
C38A C39A C40A C61A 155(5) 6_565 . . 6_565 ?
C60A C39A C40A C61A 144(6) 6_565 . . 6_565 ?
C40A C39A C40A C61A -70(5) 6_565 . . 6_565 ?
Sc2A C39A C40A C61A -167(5) . . . 6_565 ?
Sc2A C39A C40A C61A -152(5) 6_565 . . 6_565 ?
C39A C39A C40A C60A 145.9(8) 6_565 . . 6_565 ?
C61A C39A C40A C60A -144(6) 6_565 . . 6_565 ?
C61A C39A C40A C60A 155.1(15) . . . 6_565 ?
C38A C39A C40A C60A -1.0(16) . . . 6_565 ?
C38A C39A C40A C60A 11(2) 6_565 . . 6_565 ?
C40A C39A C40A C60A 145.9(8) 6_565 . . 6_565 ?
Sc2A C39A C40A C60A 48.9(11) . . . 6_565 ?
Sc2A C39A C40A C60A 64.1(12) 6_565 . . 6_565 ?
C39A C39A C40A C57A -19(2) 6_565 . . 6_565 ?
C61A C39A C40A C57A 51(4) 6_565 . . 6_565 ?
C61A C39A C40A C57A -9.5(15) . . . 6_565 ?
C38A C39A C40A C57A -165.5(10) . . . 6_565 ?
C38A C39A C40A C57A -153.4(12) 6_565 . . 6_565 ?
C60A C39A C40A C57A -165(2) 6_565 . . 6_565 ?
C40A C39A C40A C57A -19(2) 6_565 . . 6_565 ?
Sc2A C39A C40A C57A -115.6(11) . . . 6_565 ?
Sc2A C39A C40A C57A -100.4(11) 6_565 . . 6_565 ?
C39A C39A C40A C3A -19.1(19) 6_565 . . . ?
C61A C39A C40A C3A 51(4) 6_565 . . . ?
C61A C39A C40A C3A -9.9(15) . . . . ?
C38A C39A C40A C3A -166.0(10) . . . . ?
C38A C39A C40A C3A -153.9(12) 6_565 . . . ?
C60A C39A C40A C3A -165(2) 6_565 . . . ?
C40A C39A C40A C3A -19.1(19) 6_565 . . . ?
Sc2A C39A C40A C3A -116.1(11) . . . . ?
Sc2A C39A C40A C3A -100.9(11) 6_565 . . . ?
C39A C39A C40A C41A 136.0(9) 6_565 . . . ?
C61A C39A C40A C41A -154(6) 6_565 . . . ?
C61A C39A C40A C41A 145.2(14) . . . . ?
C38A C39A C40A C41A -10.9(17) . . . . ?
C38A C39A C40A C41A 1(2) 6_565 . . . ?
C60A C39A C40A C41A -9.9(11) 6_565 . . . ?
C40A C39A C40A C41A 136.0(9) 6_565 . . . ?
Sc2A C39A C40A C41A 39.0(12) . . . . ?
Sc2A C39A C40A C41A 54.2(13) 6_565 . . . ?
C39A C39A C40A C59A 109.1(13) 6_565 . . 6_565 ?
C61A C39A C40A C59A 179(100) 6_565 . . 6_565 ?
C61A C39A C40A C59A 118.3(18) . . . 6_565 ?
C38A C39A C40A C59A -38(2) . . . 6_565 ?
C38A C39A C40A C59A -26(3) 6_565 . . 6_565 ?
C60A C39A C40A C59A -36.8(11) 6_565 . . 6_565 ?
C40A C39A C40A C59A 109.1(13) 6_565 . . 6_565 ?
Sc2A C39A C40A C59A 12.1(17) . . . 6_565 ?
Sc2A C39A C40A C59A 27.3(18) 6_565 . . 6_565 ?
C39A C39A C40A C58A 23(2) 6_565 . . 6_565 ?
C61A C39A C40A C58A 93(4) 6_565 . . 6_565 ?
C61A C39A C40A C58A 32(2) . . . 6_565 ?
C38A C39A C40A C58A -124.1(14) . . . 6_565 ?
C38A C39A C40A C58A -112.0(15) 6_565 . . 6_565 ?
C60A C39A C40A C58A -123(2) 6_565 . . 6_565 ?
C40A C39A C40A C58A 23(2) 6_565 . . 6_565 ?
Sc2A C39A C40A C58A -74.2(16) . . . 6_565 ?
Sc2A C39A C40A C58A -59.0(16) 6_565 . . 6_565 ?
C61A C39A C40A C39A 70(5) 6_565 . . 6_565 ?
C61A C39A C40A C39A 9.1(10) . . . 6_565 ?
C38A C39A C40A C39A -146.9(16) . . . 6_565 ?
C38A C39A C40A C39A -135(2) 6_565 . . 6_565 ?
C60A C39A C40A C39A -145.9(8) 6_565 . . 6_565 ?
C40A C39A C40A C39A -0.003(6) 6_565 . . 6_565 ?
Sc2A C39A C40A C39A -97.0(10) . . . 6_565 ?
Sc2A C39A C40A C39A -81.8(11) 6_565 . . 6_565 ?
C39A C39A C40A Sc1A 37.6(12) 6_565 . . . ?
C61A C39A C40A Sc1A 108(5) 6_565 . . . ?
C61A C39A C40A Sc1A 46.8(9) . . . . ?
C38A C39A C40A Sc1A -109.3(7) . . . . ?
C38A C39A C40A Sc1A -97.2(13) 6_565 . . . ?
C60A C39A C40A Sc1A -108.3(13) 6_565 . . . ?
C40A C39A C40A Sc1A 37.6(12) 6_565 . . . ?
Sc2A C39A C40A Sc1A -59.4(3) . . . . ?
Sc2A C39A C40A Sc1A -44.2(4) 6_565 . . . ?
C57A C3A C40A C61A 19(5) 6_565 . . 6_565 ?
C58A C3A C40A C61A 163(3) 6_565 . . 6_565 ?
C4A C3A C40A C61A 163(3) . . . 6_565 ?
C2A C3A C40A C61A 26(3) . . . 6_565 ?
Sc1A C3A C40A C61A 94(3) . . . 6_565 ?
Sc1A C3A C40A C61A 80(3) 6_565 . . 6_565 ?
C57A C3A C40A C60A -153(6) 6_565 . . 6_565 ?
C58A C3A C40A C60A -9(3) 6_565 . . 6_565 ?
C4A C3A C40A C60A -9(3) . . . 6_565 ?
C2A C3A C40A C60A -145(2) . . . 6_565 ?
C61A C3A C40A C60A -172(5) 6_565 . . 6_565 ?
Sc1A C3A C40A C60A -78(2) . . . 6_565 ?
Sc1A C3A C40A C60A -91(2) 6_565 . . 6_565 ?
C58A C3A C40A C57A 144(6) 6_565 . . 6_565 ?
C4A C3A C40A C57A 144(6) . . . 6_565 ?
C2A C3A C40A C57A 7(4) . . . 6_565 ?
C61A C3A C40A C57A -19(5) 6_565 . . 6_565 ?
Sc1A C3A C40A C57A 75(5) . . . 6_565 ?
Sc1A C3A C40A C57A 61(5) 6_565 . . 6_565 ?
C57A C3A C40A C39A 2(5) 6_565 . . . ?
C58A C3A C40A C39A 146.1(13) 6_565 . . . ?
C4A C3A C40A C39A 146.3(12) . . . . ?
C2A C3A C40A C39A 9.9(17) . . . . ?
C61A C3A C40A C39A -16(2) 6_565 . . . ?
Sc1A C3A C40A C39A 77.7(11) . . . . ?
Sc1A C3A C40A C39A 63.8(11) 6_565 . . . ?
C57A C3A C40A C41A -153(5) 6_565 . . . ?
C58A C3A C40A C41A -9.3(15) 6_565 . . . ?
C4A C3A C40A C41A -9.1(18) . . . . ?
C2A C3A C40A C41A -145.6(12) . . . . ?
C61A C3A C40A C41A -172(4) 6_565 . . . ?
Sc1A C3A C40A C41A -77.7(12) . . . . ?
Sc1A C3A C40A C41A -91.6(11) 6_565 . . . ?
C57A C3A C40A C59A -150(5) 6_565 . . 6_565 ?
C58A C3A C40A C59A -6.4(9) 6_565 . . 6_565 ?
C4A C3A C40A C59A -6.2(12) . . . 6_565 ?
C2A C3A C40A C59A -142.7(12) . . . 6_565 ?
C61A C3A C40A C59A -169(3) 6_565 . . 6_565 ?
Sc1A C3A C40A C59A -74.8(6) . . . 6_565 ?
Sc1A C3A C40A C59A -88.7(7) 6_565 . . 6_565 ?
C57A C3A C40A C58A -144(6) 6_565 . . 6_565 ?
C4A C3A C40A C58A 0.2(8) . . . 6_565 ?
C2A C3A C40A C58A -136.3(17) . . . 6_565 ?
C61A C3A C40A C58A -163(3) 6_565 . . 6_565 ?
Sc1A C3A C40A C58A -68.5(9) . . . 6_565 ?
Sc1A C3A C40A C58A -82.3(9) 6_565 . . 6_565 ?
C57A C3A C40A C39A -1(5) 6_565 . . 6_565 ?
C58A C3A C40A C39A 142.8(11) 6_565 . . 6_565 ?
C4A C3A C40A C39A 143.0(11) . . . 6_565 ?
C2A C3A C40A C39A 6.5(14) . . . 6_565 ?
C61A C3A C40A C39A -20(2) 6_565 . . 6_565 ?
Sc1A C3A C40A C39A 74.3(7) . . . 6_565 ?
Sc1A C3A C40A C39A 60.5(8) 6_565 . . 6_565 ?
C57A C3A C40A Sc1A -75(5) 6_565 . . . ?
C58A C3A C40A Sc1A 68.5(8) 6_565 . . . ?
C4A C3A C40A Sc1A 68.7(10) . . . . ?
C2A C3A C40A Sc1A -67.8(10) . . . . ?
C61A C3A C40A Sc1A -94(3) 6_565 . . . ?
Sc1A C3A C40A Sc1A -13.83(11) 6_565 . . . ?
C63A C36A C41A C60A -29(3) 6_565 . . 6_565 ?
C64A C36A C41A C60A -137(2) 6_565 . . 6_565 ?
C35A C36A C41A C60A -147(2) . . . 6_565 ?
C37A C36A C41A C60A -9(2) . . . 6_565 ?
Sc2A C36A C41A C60A -73(2) . . . 6_565 ?
C63A C36A C41A C59A 127(4) 6_565 . . 6_565 ?
C64A C36A C41A C59A 19(4) 6_565 . . 6_565 ?
C35A C36A C41A C59A 9(4) . . . 6_565 ?
C37A C36A C41A C59A 147(3) . . . 6_565 ?
C60A C36A C41A C59A 156(5) 6_565 . . 6_565 ?
Sc2A C36A C41A C59A 83(3) . . . 6_565 ?
C63A C36A C41A C42A 135(2) 6_565 . . . ?
C64A C36A C41A C42A 27.2(19) 6_565 . . . ?
C35A C36A C41A C42A 17.4(18) . . . . ?
C37A C36A C41A C42A 155.3(12) . . . . ?
C60A C36A C41A C42A 164(3) 6_565 . . . ?
Sc2A C36A C41A C42A 91.3(12) . . . . ?
C63A C36A C41A C40A -19(3) 6_565 . . . ?
C64A C36A C41A C40A -127.0(15) 6_565 . . . ?
C35A C36A C41A C40A -136.7(14) . . . . ?
C37A C36A C41A C40A 1.1(18) . . . . ?
C60A C36A C41A C40A 10.1(16) 6_565 . . . ?
Sc2A C36A C41A C40A -62.8(12) . . . . ?
C64A C36A C41A C63A -108(3) 6_565 . . 6_565 ?
C35A C36A C41A C63A -118(3) . . . 6_565 ?
C37A C36A C41A C63A 19.9(17) . . . 6_565 ?
C60A C36A C41A C63A 29(3) 6_565 . . 6_565 ?
Sc2A C36A C41A C63A -44(2) . . . 6_565 ?
C63A C36A C41A C61A -19(2) 6_565 . . 6_565 ?
C64A C36A C41A C61A -127.5(14) 6_565 . . 6_565 ?
C35A C36A C41A C61A -137.2(12) . . . 6_565 ?
C37A C36A C41A C61A 0.6(15) . . . 6_565 ?
C60A C36A C41A C61A 9.6(15) 6_565 . . 6_565 ?
Sc2A C36A C41A C61A -63.3(9) . . . 6_565 ?
C63A C36A C41A C69A 126(2) 6_565 . . 6_565 ?
C64A C36A C41A C69A 18.2(15) 6_565 . . 6_565 ?
C35A C36A C41A C69A 8.5(14) . . . 6_565 ?
C37A C36A C41A C69A 146.4(11) . . . 6_565 ?
C60A C36A C41A C69A 155(3) 6_565 . . 6_565 ?
Sc2A C36A C41A C69A 82.4(8) . . . 6_565 ?
C63A C36A C41A Sc2A 44(2) 6_565 . . . ?
C64A C36A C41A Sc2A -64.2(12) 6_565 . . . ?
C35A C36A C41A Sc2A -73.9(11) . . . . ?
C37A C36A C41A Sc2A 63.9(9) . . . . ?
C60A C36A C41A Sc2A 73(2) 6_565 . . . ?
C61A C40A C41A C60A 11(4) 6_565 . . 6_565 ?
C57A C40A C41A C60A 174(3) 6_565 . . 6_565 ?
C39A C40A C41A C60A 25(3) . . . 6_565 ?
C3A C40A C41A C60A 180(3) . . . 6_565 ?
C59A C40A C41A C60A 174(4) 6_565 . . 6_565 ?
C58A C40A C41A C60A 174(3) 6_565 . . 6_565 ?
C39A C40A C41A C60A 33(3) 6_565 . . 6_565 ?
Sc1A C40A C41A C60A 123(3) . . . 6_565 ?
C61A C40A C41A C59A -163(5) 6_565 . . 6_565 ?
C60A C40A C41A C59A -174(4) 6_565 . . 6_565 ?
C57A C40A C41A C59A -1(2) 6_565 . . 6_565 ?
C39A C40A C41A C59A -149.5(17) . . . 6_565 ?
C3A C40A C41A C59A 6(2) . . . 6_565 ?
C58A C40A C41A C59A -0.7(14) 6_565 . . 6_565 ?
C39A C40A C41A C59A -141.1(15) 6_565 . . 6_565 ?
Sc1A C40A C41A C59A -51.2(15) . . . 6_565 ?
C61A C40A C41A C42A -156(4) 6_565 . . . ?
C60A C40A C41A C42A -168(3) 6_565 . . . ?
C57A C40A C41A C42A 6(2) 6_565 . . . ?
C39A C40A C41A C42A -142.7(13) . . . . ?
C3A C40A C41A C42A 12.3(19) . . . . ?
C59A C40A C41A C42A 6.7(13) 6_565 . . . ?
C58A C40A C41A C42A 6.0(12) 6_565 . . . ?
C39A C40A C41A C42A -134.3(12) 6_565 . . . ?
Sc1A C40A C41A C42A -44.5(13) . . . . ?
C61A C40A C41A C36A -3(5) 6_565 . . . ?
C60A C40A C41A C36A -14(2) 6_565 . . . ?
C57A C40A C41A C36A 159.5(16) 6_565 . . . ?
C39A C40A C41A C36A 10.8(19) . . . . ?
C3A C40A C41A C36A 165.8(12) . . . . ?
C59A C40A C41A C36A 160(2) 6_565 . . . ?
C58A C40A C41A C36A 159.6(13) 6_565 . . . ?
C39A C40A C41A C36A 19.2(18) 6_565 . . . ?
Sc1A C40A C41A C36A 109.1(11) . . . . ?
C61A C40A C41A C63A -9(5) 6_565 . . 6_565 ?
C60A C40A C41A C63A -21(2) 6_565 . . 6_565 ?
C57A C40A C41A C63A 152.7(16) 6_565 . . 6_565 ?
C39A C40A C41A C63A 3.9(15) . . . 6_565 ?
C3A C40A C41A C63A 159.0(12) . . . 6_565 ?
C59A C40A C41A C63A 153(2) 6_565 . . 6_565 ?
C58A C40A C41A C63A 152.7(11) 6_565 . . 6_565 ?
C39A C40A C41A C63A 12.3(15) 6_565 . . 6_565 ?
Sc1A C40A C41A C63A 102.2(9) . . . 6_565 ?
C60A C40A C41A C61A -11(4) 6_565 . . 6_565 ?
C57A C40A C41A C61A 162(6) 6_565 . . 6_565 ?
C39A C40A C41A C61A 13(4) . . . 6_565 ?
C3A C40A C41A C61A 168(5) . . . 6_565 ?
C59A C40A C41A C61A 163(5) 6_565 . . 6_565 ?
C58A C40A C41A C61A 162(5) 6_565 . . 6_565 ?
C39A C40A C41A C61A 22(4) 6_565 . . 6_565 ?
Sc1A C40A C41A C61A 112(5) . . . 6_565 ?
C61A C40A C41A C69A -134(4) 6_565 . . 6_565 ?
C60A C40A C41A C69A -146(3) 6_565 . . 6_565 ?
C57A C40A C41A C69A 28(2) 6_565 . . 6_565 ?
C39A C40A C41A C69A -120.9(13) . . . 6_565 ?
C3A C40A C41A C69A 34(2) . . . 6_565 ?
C59A C40A C41A C69A 28.6(10) 6_565 . . 6_565 ?
C58A C40A C41A C69A 27.9(13) 6_565 . . 6_565 ?
C39A C40A C41A C69A -112.5(12) 6_565 . . 6_565 ?
Sc1A C40A C41A C69A -22.6(13) . . . 6_565 ?
C61A C40A C41A Sc2A -52(4) 6_565 . . . ?
C60A C40A C41A Sc2A -64(3) 6_565 . . . ?
C57A C40A C41A Sc2A 109.9(16) 6_565 . . . ?
C39A C40A C41A Sc2A -38.9(11) . . . . ?
C3A C40A C41A Sc2A 116.2(11) . . . . ?
C59A C40A C41A Sc2A 110.6(16) 6_565 . . . ?
C58A C40A C41A Sc2A 109.9(6) 6_565 . . . ?
C39A C40A C41A Sc2A -30.4(11) 6_565 . . . ?
Sc1A C40A C41A Sc2A 59.4(3) . . . . ?
C60A C41A C42A C59A -43(7) 6_565 . . 6_565 ?
C36A C41A C42A C59A -169(3) . . . 6_565 ?
C40A C41A C42A C59A -15(3) . . . 6_565 ?
C63A C41A C42A C59A -149(3) 6_565 . . 6_565 ?
C61A C41A C42A C59A -21(3) 6_565 . . 6_565 ?
C69A C41A C42A C59A -144(4) 6_565 . . 6_565 ?
Sc2A C41A C42A C59A -107(3) . . . 6_565 ?
C60A C41A C42A C69A 101(7) 6_565 . . 6_565 ?
C59A C41A C42A C69A 144(4) 6_565 . . 6_565 ?
C36A C41A C42A C69A -25(3) . . . 6_565 ?
C40A C41A C42A C69A 129(2) . . . 6_565 ?
C63A C41A C42A C69A -5(3) 6_565 . . 6_565 ?
C61A C41A C42A C69A 123(2) 6_565 . . 6_565 ?
Sc2A C41A C42A C69A 37(2) . . . 6_565 ?
C60A C41A C42A C43A -29(7) 6_565 . . . ?
C59A C41A C42A C43A 13(2) 6_565 . . . ?
C36A C41A C42A C43A -155.5(12) . . . . ?
C40A C41A C42A C43A -1.4(19) . . . . ?
C63A C41A C42A C43A -135.7(14) 6_565 . . . ?
C61A C41A C42A C43A -8(2) 6_565 . . . ?
C69A C41A C42A C43A -131(3) 6_565 . . . ?
Sc2A C41A C42A C43A -93.7(10) . . . . ?
C60A C41A C42A C46A 108(7) 6_565 . . . ?
C59A C41A C42A C46A 151(3) 6_565 . . . ?
C36A C41A C42A C46A -17.9(19) . . . . ?
C40A C41A C42A C46A 136.2(14) . . . . ?
C63A C41A C42A C46A 2(2) 6_565 . . . ?
C61A C41A C42A C46A 130.1(14) 6_565 . . . ?
C69A C41A C42A C46A 7.0(19) 6_565 . . . ?
Sc2A C41A C42A C46A 43.9(13) . . . . ?
C60A C41A C42A C58A -34(7) 6_565 . . 6_565 ?
C59A C41A C42A C58A 9(3) 6_565 . . 6_565 ?
C36A C41A C42A C58A -160.2(13) . . . 6_565 ?
C40A C41A C42A C58A -6.0(12) . . . 6_565 ?
C63A C41A C42A C58A -140.3(16) 6_565 . . 6_565 ?
C61A C41A C42A C58A -12.1(14) 6_565 . . 6_565 ?
C69A C41A C42A C58A -135(2) 6_565 . . 6_565 ?
Sc2A C41A C42A C58A -98.3(6) . . . 6_565 ?
C60A C41A C42A C68A 114(7) 6_565 . . 6_565 ?
C59A C41A C42A C68A 156(3) 6_565 . . 6_565 ?
C36A C41A C42A C68A -12.7(13) . . . 6_565 ?
C40A C41A C42A C68A 141.4(13) . . . 6_565 ?
C63A C41A C42A C68A 7.2(16) 6_565 . . 6_565 ?
C61A C41A C42A C68A 135.3(14) 6_565 . . 6_565 ?
C69A C41A C42A C68A 12.2(19) 6_565 . . 6_565 ?
Sc2A C41A C42A C68A 49.1(7) . . . 6_565 ?
C60A C41A C42A C70A 48(7) 6_565 . . 6_565 ?
C59A C41A C42A C70A 90(3) 6_565 . . 6_565 ?
C36A C41A C42A C70A -78.5(17) . . . 6_565 ?
C40A C41A C42A C70A 75.6(16) . . . 6_565 ?
C63A C41A C42A C70A -59(2) 6_565 . . 6_565 ?
C61A C41A C42A C70A 69.5(17) 6_565 . . 6_565 ?
C69A C41A C42A C70A -54(2) 6_565 . . 6_565 ?
Sc2A C41A C42A C70A -16.7(13) . . . 6_565 ?
C59A C42A C43A C58A 0.8(18) 6_565 . . 6_565 ?
C69A C42A C43A C58A -143(2) 6_565 . . 6_565 ?
C41A C42A C43A C58A -6.8(13) . . . 6_565 ?
C46A C42A C43A C58A -149.2(12) . . . 6_565 ?
C68A C42A C43A C58A -127.7(14) 6_565 . . 6_565 ?
C70A C42A C43A C58A -145.8(10) 6_565 . . 6_565 ?
C59A C42A C43A C9A 47(3) 6_565 . . 6_565 ?
C69A C42A C43A C9A -97(2) 6_565 . . 6_565 ?
C41A C42A C43A C9A 39(2) . . . 6_565 ?
C46A C42A C43A C9A -103.0(18) . . . 6_565 ?
C58A C42A C43A C9A 46.2(15) 6_565 . . 6_565 ?
C68A C42A C43A C9A -81.5(19) 6_565 . . 6_565 ?
C70A C42A C43A C9A -99.6(18) 6_565 . . 6_565 ?
C59A C42A C43A C44A 146.1(18) 6_565 . . . ?
C69A C42A C43A C44A 2(2) 6_565 . . . ?
C41A C42A C43A C44A 138.4(13) . . . . ?
C46A C42A C43A C44A -3.9(14) . . . . ?
C58A C42A C43A C44A 145.2(12) 6_565 . . . ?
C68A C42A C43A C44A 17.6(17) 6_565 . . . ?
C70A C42A C43A C44A -0.5(10) 6_565 . . . ?
C59A C42A C43A C4A -5(2) 6_565 . . . ?
C69A C42A C43A C4A -149.3(19) 6_565 . . . ?
C41A C42A C43A C4A -12.9(17) . . . . ?
C46A C42A C43A C4A -155.3(11) . . . . ?
C58A C42A C43A C4A -6.1(8) 6_565 . . . ?
C68A C42A C43A C4A -133.8(12) 6_565 . . . ?
C70A C42A C43A C4A -151.9(11) 6_565 . . . ?
C69A C42A C43A C59A -144(3) 6_565 . . 6_565 ?
C41A C42A C43A C59A -7.6(14) . . . 6_565 ?
C46A C42A C43A C59A -150(2) . . . 6_565 ?
C58A C42A C43A C59A -0.8(18) 6_565 . . 6_565 ?
C68A C42A C43A C59A -128(3) 6_565 . . 6_565 ?
C70A C42A C43A C59A -146.6(19) 6_565 . . 6_565 ?
C59A C42A C43A C10A 134.7(18) 6_565 . . 6_565 ?
C69A C42A C43A C10A -9(2) 6_565 . . 6_565 ?
C41A C42A C43A C10A 127.1(13) . . . 6_565 ?
C46A C42A C43A C10A -15.3(16) . . . 6_565 ?
C58A C42A C43A C10A 133.9(14) 6_565 . . 6_565 ?
C68A C42A C43A C10A 6.2(19) 6_565 . . 6_565 ?
C70A C42A C43A C10A -11.9(11) 6_565 . . 6_565 ?
C59A C42A C43A C70A 146.6(19) 6_565 . . 6_565 ?
C69A C42A C43A C70A 3(2) 6_565 . . 6_565 ?
C41A C42A C43A C70A 139.0(13) . . . 6_565 ?
C46A C42A C43A C70A -3.4(11) . . . 6_565 ?
C58A C42A C43A C70A 145.8(10) 6_565 . . 6_565 ?
C68A C42A C43A C70A 18.1(13) 6_565 . . 6_565 ?
C59A C42A C43A C69A 144(3) 6_565 . . 6_565 ?
C41A C42A C43A C69A 136(3) . . . 6_565 ?
C46A C42A C43A C69A -6.0(18) . . . 6_565 ?
C58A C42A C43A C69A 143(2) 6_565 . . 6_565 ?
C68A C42A C43A C69A 15.5(14) 6_565 . . 6_565 ?
C70A C42A C43A C69A -3(2) 6_565 . . 6_565 ?
C59A C42A C43A Sc1A 58.9(18) 6_565 . . . ?
C69A C42A C43A Sc1A -85(2) 6_565 . . . ?
C41A C42A C43A Sc1A 51.3(12) . . . . ?
C46A C42A C43A Sc1A -91.1(10) . . . . ?
C58A C42A C43A Sc1A 58.0(6) 6_565 . . . ?
C68A C42A C43A Sc1A -69.6(13) 6_565 . . . ?
C70A C42A C43A Sc1A -87.7(6) 6_565 . . . ?
C9A C4A C43A C58A 132.3(17) 6_565 . . 6_565 ?
C3A C4A C43A C58A 4.5(13) . . . 6_565 ?
C5A C4A C43A C58A 138.9(17) . . . 6_565 ?
C57A C4A C43A C58A 9.8(11) 6_565 . . 6_565 ?
C8A C4A C43A C58A 124.4(15) 6_565 . . 6_565 ?
Sc1A C4A C43A C58A 73.9(12) . . . 6_565 ?
C58A C4A C43A C9A -132.3(17) 6_565 . . 6_565 ?
C3A C4A C43A C9A -127.9(13) . . . 6_565 ?
C5A C4A C43A C9A 6.5(8) . . . 6_565 ?
C57A C4A C43A C9A -122.5(12) 6_565 . . 6_565 ?
C8A C4A C43A C9A -7.9(7) 6_565 . . 6_565 ?
Sc1A C4A C43A C9A -58.4(7) . . . 6_565 ?
C58A C4A C43A C44A -136.3(16) 6_565 . . . ?
C9A C4A C43A C44A -3.9(12) 6_565 . . . ?
C3A C4A C43A C44A -131.8(12) . . . . ?
C5A C4A C43A C44A 2.6(14) . . . . ?
C57A C4A C43A C44A -126.5(11) 6_565 . . . ?
C8A C4A C43A C44A -11.8(13) 6_565 . . . ?
Sc1A C4A C43A C44A -62.4(10) . . . . ?
C58A C4A C43A C42A 11.7(16) 6_565 . . . ?
C9A C4A C43A C42A 144.0(12) 6_565 . . . ?
C3A C4A C43A C42A 16.1(14) . . . . ?
C5A C4A C43A C42A 150.5(10) . . . . ?
C57A C4A C43A C42A 21.5(14) 6_565 . . . ?
C8A C4A C43A C42A 136.1(9) 6_565 . . . ?
Sc1A C4A C43A C42A 85.5(9) . . . . ?
C58A C4A C43A C59A 9.1(13) 6_565 . . 6_565 ?
C9A C4A C43A C59A 141.4(10) 6_565 . . 6_565 ?
C3A C4A C43A C59A 13.6(11) . . . 6_565 ?
C5A C4A C43A C59A 148.0(9) . . . 6_565 ?
C57A C4A C43A C59A 18.9(10) 6_565 . . 6_565 ?
C8A C4A C43A C59A 133.5(8) 6_565 . . 6_565 ?
Sc1A C4A C43A C59A 83.0(6) . . . 6_565 ?
C58A C4A C43A C10A -135.4(15) 6_565 . . 6_565 ?
C9A C4A C43A C10A -3.1(10) 6_565 . . 6_565 ?
C3A C4A C43A C10A -130.9(11) . . . 6_565 ?
C5A C4A C43A C10A 3.5(12) . . . 6_565 ?
C57A C4A C43A C10A -125.6(10) 6_565 . . 6_565 ?
C8A C4A C43A C10A -11.0(10) 6_565 . . 6_565 ?
Sc1A C4A C43A C10A -61.5(8) . . . 6_565 ?
C58A C4A C43A C70A -107.6(18) 6_565 . . 6_565 ?
C9A C4A C43A C70A 24.7(16) 6_565 . . 6_565 ?
C3A C4A C43A C70A -103.1(16) . . . 6_565 ?
C5A C4A C43A C70A 31.3(19) . . . 6_565 ?
C57A C4A C43A C70A -97.8(15) 6_565 . . 6_565 ?
C8A C4A C43A C70A 16.9(17) 6_565 . . 6_565 ?
Sc1A C4A C43A C70A -33.7(15) . . . 6_565 ?
C58A C4A C43A C69A -9.5(18) 6_565 . . 6_565 ?
C9A C4A C43A C69A 122.8(14) 6_565 . . 6_565 ?
C3A C4A C43A C69A -5.0(18) . . . 6_565 ?
C5A C4A C43A C69A 129.4(12) . . . 6_565 ?
C57A C4A C43A C69A 0.3(17) 6_565 . . 6_565 ?
C8A C4A C43A C69A 114.9(12) 6_565 . . 6_565 ?
Sc1A C4A C43A C69A 64.4(12) . . . 6_565 ?
C58A C4A C43A Sc1A -73.9(12) 6_565 . . . ?
C9A C4A C43A Sc1A 58.4(7) 6_565 . . . ?
C3A C4A C43A Sc1A -69.4(9) . . . . ?
C5A C4A C43A Sc1A 65.0(7) . . . . ?
C57A C4A C43A Sc1A -64.1(8) 6_565 . . . ?
C8A C4A C43A Sc1A 50.6(5) 6_565 . . . ?
C58A C43A C44A C10A -33(4) 6_565 . . 6_565 ?
C9A C43A C44A C10A 0(3) 6_565 . . 6_565 ?
C42A C43A C44A C10A -148(3) . . . 6_565 ?
C4A C43A C44A C10A 3(4) . . . 6_565 ?
C59A C43A C44A C10A -127(3) 6_565 . . 6_565 ?
C70A C43A C44A C10A -149(5) 6_565 . . 6_565 ?
C69A C43A C44A C10A -147(4) 6_565 . . 6_565 ?
Sc1A C43A C44A C10A -50(4) . . . 6_565 ?
C58A C43A C44A C70A 116.7(17) 6_565 . . 6_565 ?
C9A C43A C44A C70A 149.0(16) 6_565 . . 6_565 ?
C42A C43A C44A C70A 1.0(18) . . . 6_565 ?
C4A C43A C44A C70A 151.9(14) . . . 6_565 ?
C59A C43A C44A C70A 23(2) 6_565 . . 6_565 ?
C10A C43A C44A C70A 149(5) 6_565 . . 6_565 ?
C69A C43A C44A C70A 1.9(15) 6_565 . . 6_565 ?
Sc1A C43A C44A C70A 99.5(14) . . . 6_565 ?
C58A C43A C44A C45A 117.9(15) 6_565 . . . ?
C9A C43A C44A C45A 150.3(12) 6_565 . . . ?
C42A C43A C44A C45A 2.3(14) . . . . ?
C4A C43A C44A C45A 153.1(11) . . . . ?
C59A C43A C44A C45A 23.8(17) 6_565 . . . ?
C10A C43A C44A C45A 150(4) 6_565 . . . ?
C70A C43A C44A C45A 1.3(16) 6_565 . . . ?
C69A C43A C44A C45A 3.2(12) 6_565 . . . ?
Sc1A C43A C44A C45A 100.8(10) . . . . ?
C58A C43A C44A C56A -27(2) 6_565 . . . ?
C9A C43A C44A C56A 5.0(12) 6_565 . . . ?
C42A C43A C44A C56A -143.1(12) . . . . ?
C4A C43A C44A C56A 7.8(17) . . . . ?
C59A C43A C44A C56A -121.5(12) 6_565 . . . ?
C10A C43A C44A C56A 5(3) 6_565 . . . ?
C70A C43A C44A C56A -144(2) 6_565 . . . ?
C69A C43A C44A C56A -142.1(13) 6_565 . . . ?
Sc1A C43A C44A C56A -44.6(11) . . . . ?
C58A C43A C44A C9A -32.4(14) 6_565 . . 6_565 ?
C42A C43A C44A C9A -148.1(11) . . . 6_565 ?
C4A C43A C44A C9A 2.8(9) . . . 6_565 ?
C59A C43A C44A C9A -126.5(13) 6_565 . . 6_565 ?
C10A C43A C44A C9A 0(3) 6_565 . . 6_565 ?
C70A C43A C44A C9A -149.0(16) 6_565 . . 6_565 ?
C69A C43A C44A C9A -147.1(9) 6_565 . . 6_565 ?
Sc1A C43A C44A C9A -49.5(5) . . . 6_565 ?
C58A C43A C44A C11A -7(2) 6_565 . . 6_565 ?
C9A C43A C44A C11A 25.1(14) 6_565 . . 6_565 ?
C42A C43A C44A C11A -122.9(14) . . . 6_565 ?
C4A C43A C44A C11A 28(2) . . . 6_565 ?
C59A C43A C44A C11A -101.4(14) 6_565 . . 6_565 ?
C10A C43A C44A C11A 25(3) 6_565 . . 6_565 ?
C70A C43A C44A C11A -124(3) 6_565 . . 6_565 ?
C69A C43A C44A C11A -122.0(15) 6_565 . . 6_565 ?
Sc1A C43A C44A C11A -24.4(14) . . . 6_565 ?
C58A C43A C44A C17A 103.8(16) 6_565 . . 6_565 ?
C9A C43A C44A C17A 136.2(14) 6_565 . . 6_565 ?
C42A C43A C44A C17A -11.8(17) . . . 6_565 ?
C4A C43A C44A C17A 139.0(11) . . . 6_565 ?
C59A C43A C44A C17A 10(2) 6_565 . . 6_565 ?
C10A C43A C44A C17A 136(4) 6_565 . . 6_565 ?
C70A C43A C44A C17A -12.8(10) 6_565 . . 6_565 ?
C69A C43A C44A C17A -10.9(14) 6_565 . . 6_565 ?
Sc1A C43A C44A C17A 86.7(12) . . . 6_565 ?
C58A C43A C44A Sc1A 17.2(13) 6_565 . . . ?
C9A C43A C44A Sc1A 49.5(5) 6_565 . . . ?
C42A C43A C44A Sc1A -98.5(8) . . . . ?
C4A C43A C44A Sc1A 52.4(8) . . . . ?
C59A C43A C44A Sc1A -77.0(11) 6_565 . . . ?
C10A C43A C44A Sc1A 50(4) 6_565 . . . ?
C70A C43A C44A Sc1A -99.5(14) 6_565 . . . ?
C69A C43A C44A Sc1A -97.6(6) 6_565 . . . ?
C10A C44A C45A C70A 135(9) 6_565 . . 6_565 ?
C43A C44A C45A C70A -5(6) . . . 6_565 ?
C56A C44A C45A C70A 139(7) . . . 6_565 ?
C9A C44A C45A C70A 38(7) 6_565 . . 6_565 ?
C11A C44A C45A C70A 142(7) 6_565 . . 6_565 ?
C17A C44A C45A C70A 148(8) 6_565 . . 6_565 ?
Sc1A C44A C45A C70A 66(7) . . . 6_565 ?
C10A C44A C45A C17A -12(6) 6_565 . . 6_565 ?
C70A C44A C45A C17A -148(8) 6_565 . . 6_565 ?
C43A C44A C45A C17A -153(2) . . . 6_565 ?
C56A C44A C45A C17A -8(3) . . . 6_565 ?
C9A C44A C45A C17A -109(2) 6_565 . . 6_565 ?
C11A C44A C45A C17A -5(2) 6_565 . . 6_565 ?
Sc1A C44A C45A C17A -81(2) . . . 6_565 ?
C10A C44A C45A C46A 141(5) 6_565 . . . ?
C70A C44A C45A C46A 6(6) 6_565 . . . ?
C43A C44A C45A C46A 0.3(16) . . . . ?
C56A C44A C45A C46A 144.8(14) . . . . ?
C9A C44A C45A C46A 44(2) 6_565 . . . ?
C11A C44A C45A C46A 148.1(13) 6_565 . . . ?
C17A C44A C45A C46A 153(3) 6_565 . . . ?
Sc1A C44A C45A C46A 71.9(12) . . . . ?
C10A C44A C45A C50A -10(5) 6_565 . . . ?
C70A C44A C45A C50A -145(8) 6_565 . . . ?
C43A C44A C45A C50A -150.5(16) . . . . ?
C56A C44A C45A C50A -6(2) . . . . ?
C9A C44A C45A C50A -106.9(18) 6_565 . . . ?
C11A C44A C45A C50A -2.8(18) 6_565 . . . ?
C17A C44A C45A C50A 2(2) 6_565 . . . ?
Sc1A C44A C45A C50A -79.0(16) . . . . ?
C10A C44A C45A C69A 137(5) 6_565 . . 6_565 ?
C70A C44A C45A C69A 2(6) 6_565 . . 6_565 ?
C43A C44A C45A C69A -3.4(12) . . . 6_565 ?
C56A C44A C45A C69A 141.1(13) . . . 6_565 ?
C9A C44A C45A C69A 40.3(18) 6_565 . . 6_565 ?
C11A C44A C45A C69A 144.4(10) 6_565 . . 6_565 ?
C17A C44A C45A C69A 150(3) 6_565 . . 6_565 ?
Sc1A C44A C45A C69A 68.2(8) . . . 6_565 ?
C70A C44A C45A C10A -135(9) 6_565 . . 6_565 ?
C43A C44A C45A C10A -140(6) . . . 6_565 ?
C56A C44A C45A C10A 4(4) . . . 6_565 ?
C9A C44A C45A C10A -97(6) 6_565 . . 6_565 ?
C11A C44A C45A C10A 7(5) 6_565 . . 6_565 ?
C17A C44A C45A C10A 12(6) 6_565 . . 6_565 ?
Sc1A C44A C45A C10A -69(5) . . . 6_565 ?
C10A C44A C45A C18A 24(6) 6_565 . . 6_565 ?
C70A C44A C45A C18A -111(8) 6_565 . . 6_565 ?
C43A C44A C45A C18A -116(2) . . . 6_565 ?
C56A C44A C45A C18A 28(3) . . . 6_565 ?
C9A C44A C45A C18A -73(2) 6_565 . . 6_565 ?
C11A C44A C45A C18A 31(2) 6_565 . . 6_565 ?
C17A C44A C45A C18A 36.4(17) 6_565 . . 6_565 ?
Sc1A C44A C45A C18A -45(2) . . . 6_565 ?
C70A C45A C46A C69A -8(4) 6_565 . . 6_565 ?
C17A C45A C46A C69A 138(3) 6_565 . . 6_565 ?
C50A C45A C46A C69A 139(3) . . . 6_565 ?
C44A C45A C46A C69A -10(3) . . . 6_565 ?
C10A C45A C46A C69A -2(3) 6_565 . . 6_565 ?
C18A C45A C46A C69A 145(3) 6_565 . . 6_565 ?
C70A C45A C46A C68A -129(3) 6_565 . . 6_565 ?
C17A C45A C46A C68A 17(4) 6_565 . . 6_565 ?
C50A C45A C46A C68A 19(3) . . . 6_565 ?
C44A C45A C46A C68A -131(2) . . . 6_565 ?
C69A C45A C46A C68A -121(4) 6_565 . . 6_565 ?
C10A C45A C46A C68A -122(2) 6_565 . . 6_565 ?
C18A C45A C46A C68A 24(2) 6_565 . . 6_565 ?
C70A C45A C46A C47A -145(3) 6_565 . . . ?
C17A C45A C46A C47A 1(3) 6_565 . . . ?
C50A C45A C46A C47A 2(2) . . . . ?
C44A C45A C46A C47A -147.0(14) . . . . ?
C69A C45A C46A C47A -137(4) 6_565 . . . ?
C10A C45A C46A C47A -138.6(14) 6_565 . . . ?
C18A C45A C46A C47A 8.3(15) 6_565 . . . ?
C70A C45A C46A C42A -1(3) 6_565 . . . ?
C17A C45A C46A C42A 145(2) 6_565 . . . ?
C50A C45A C46A C42A 146.8(15) . . . . ?
C44A C45A C46A C42A -2.7(17) . . . . ?
C69A C45A C46A C42A 7(2) 6_565 . . . ?
C10A C45A C46A C42A 5.8(19) 6_565 . . . ?
C18A C45A C46A C42A 152.6(12) 6_565 . . . ?
C17A C45A C46A C70A 146(5) 6_565 . . 6_565 ?
C50A C45A C46A C70A 147(4) . . . 6_565 ?
C44A C45A C46A C70A -2(2) . . . 6_565 ?
C69A C45A C46A C70A 8(4) 6_565 . . 6_565 ?
C10A C45A C46A C70A 6(2) 6_565 . . 6_565 ?
C18A C45A C46A C70A 153(3) 6_565 . . 6_565 ?
C70A C45A C46A C67A -152(3) 6_565 . . 6_565 ?
C17A C45A C46A C67A -6(3) 6_565 . . 6_565 ?
C50A C45A C46A C67A -4.6(17) . . . 6_565 ?
C44A C45A C46A C67A -154.0(12) . . . 6_565 ?
C69A C45A C46A C67A -144(3) 6_565 . . 6_565 ?
C10A C45A C46A C67A -145.6(13) 6_565 . . 6_565 ?
C18A C45A C46A C67A 1.3(9) 6_565 . . 6_565 ?
C59A C42A C46A C69A -44(16) 6_565 . . 6_565 ?
C43A C42A C46A C69A 67(17) . . . 6_565 ?
C41A C42A C46A C69A -76(17) . . . 6_565 ?
C58A C42A C46A C69A 34(17) 6_565 . . 6_565 ?
C68A C42A C46A C69A -85(17) 6_565 . . 6_565 ?
C70A C42A C46A C69A 63(16) 6_565 . . 6_565 ?
C59A C42A C46A C68A 41(4) 6_565 . . 6_565 ?
C69A C42A C46A C68A 85(17) 6_565 . . 6_565 ?
C43A C42A C46A C68A 152.0(14) . . . 6_565 ?
C41A C42A C46A C68A 9.5(19) . . . 6_565 ?
C58A C42A C46A C68A 119.7(15) 6_565 . . 6_565 ?
C70A C42A C46A C68A 148.2(19) 6_565 . . 6_565 ?
C59A C42A C46A C47A 38(4) 6_565 . . . ?
C69A C42A C46A C47A 83(17) 6_565 . . . ?
C43A C42A C46A C47A 149.2(15) . . . . ?
C41A C42A C46A C47A 7(2) . . . . ?
C58A C42A C46A C47A 116.9(16) 6_565 . . . ?
C68A C42A C46A C47A -2.8(16) 6_565 . . . ?
C70A C42A C46A C47A 145(2) 6_565 . . . ?
C59A C42A C46A C45A -107(4) 6_565 . . . ?
C69A C42A C46A C45A -63(17) 6_565 . . . ?
C43A C42A C46A C45A 4.0(16) . . . . ?
C41A C42A C46A C45A -138.4(14) . . . . ?
C58A C42A C46A C45A -28(2) 6_565 . . . ?
C68A C42A C46A C45A -148(2) 6_565 . . . ?
C70A C42A C46A C45A 0.2(12) 6_565 . . . ?
C59A C42A C46A C70A -107(4) 6_565 . . 6_565 ?
C69A C42A C46A C70A -63(16) 6_565 . . 6_565 ?
C43A C42A C46A C70A 3.8(13) . . . 6_565 ?
C41A C42A C46A C70A -138.6(13) . . . 6_565 ?
C58A C42A C46A C70A -28.5(18) 6_565 . . 6_565 ?
C68A C42A C46A C70A -148.2(19) 6_565 . . 6_565 ?
C59A C42A C46A C67A 16(5) 6_565 . . 6_565 ?
C69A C42A C46A C67A 61(17) 6_565 . . 6_565 ?
C43A C42A C46A C67A 127.2(17) . . . 6_565 ?
C41A C42A C46A C67A -15(3) . . . 6_565 ?
C58A C42A C46A C67A 94.9(18) 6_565 . . 6_565 ?
C68A C42A C46A C67A -24.8(13) 6_565 . . 6_565 ?
C70A C42A C46A C67A 123(2) 6_565 . . 6_565 ?
C69A C46A C47A C68A 17(5) 6_565 . . 6_565 ?
C45A C46A C47A C68A 148(4) . . . 6_565 ?
C42A C46A C47A C68A 8(4) . . . 6_565 ?
C70A C46A C47A C68A 128(4) 6_565 . . 6_565 ?
C67A C46A C47A C68A 162(6) 6_565 . . 6_565 ?
C69A C46A C47A C67A -145(3) 6_565 . . 6_565 ?
C68A C46A C47A C67A -162(6) 6_565 . . 6_565 ?
C45A C46A C47A C67A -14(3) . . . 6_565 ?
C42A C46A C47A C67A -154.2(19) . . . 6_565 ?
C70A C46A C47A C67A -34(3) 6_565 . . 6_565 ?
C69A C46A C47A C48A -138(3) 6_565 . . . ?
C68A C46A C47A C48A -155(5) 6_565 . . . ?
C45A C46A C47A C48A -8(2) . . . . ?
C42A C46A C47A C48A -147.6(14) . . . . ?
C70A C46A C47A C48A -28(2) 6_565 . . . ?
C67A C46A C47A C48A 6.6(15) 6_565 . . . ?
C69A C46A C47A C35A 15(4) 6_565 . . . ?
C68A C46A C47A C35A -2(3) 6_565 . . . ?
C45A C46A C47A C35A 145.6(15) . . . . ?
C42A C46A C47A C35A 6(3) . . . . ?
C70A C46A C47A C35A 125.6(18) 6_565 . . . ?
C67A C46A C47A C35A 160(3) 6_565 . . . ?
C69A C46A C47A C64A 7(4) 6_565 . . 6_565 ?
C68A C46A C47A C64A -10(3) 6_565 . . 6_565 ?
C45A C46A C47A C64A 137.4(15) . . . 6_565 ?
C42A C46A C47A C64A -3(2) . . . 6_565 ?
C70A C46A C47A C64A 117.4(18) 6_565 . . 6_565 ?
C67A C46A C47A C64A 152(3) 6_565 . . 6_565 ?
C68A C46A C47A C69A -17(5) 6_565 . . 6_565 ?
C45A C46A C47A C69A 131(4) . . . 6_565 ?
C42A C46A C47A C69A -9(2) . . . 6_565 ?
C70A C46A C47A C69A 111(4) 6_565 . . 6_565 ?
C67A C46A C47A C69A 145(3) 6_565 . . 6_565 ?
C69A C46A C47A C66A -114(3) 6_565 . . 6_565 ?
C68A C46A C47A C66A -131(6) 6_565 . . 6_565 ?
C45A C46A C47A C66A 17(3) . . . 6_565 ?
C42A C46A C47A C66A -123(2) . . . 6_565 ?
C70A C46A C47A C66A -3(3) 6_565 . . 6_565 ?
C67A C46A C47A C66A 31.0(15) 6_565 . . 6_565 ?
C64A C35A C47A C68A -48(5) 6_565 . . 6_565 ?
C65A C35A C47A C68A -150(4) 6_565 . . 6_565 ?
C36A C35A C47A C68A -8(4) . . . 6_565 ?
C34A C35A C47A C68A -148(3) . . . 6_565 ?
C63A C35A C47A C68A -30(4) 6_565 . . 6_565 ?
Sc2A C35A C47A C68A -79(3) . . . 6_565 ?
C64A C35A C47A C67A 108(5) 6_565 . . 6_565 ?
C65A C35A C47A C67A 6(3) 6_565 . . 6_565 ?
C36A C35A C47A C67A 148(3) . . . 6_565 ?
C34A C35A C47A C67A 8(3) . . . 6_565 ?
C68A C35A C47A C67A 156(6) 6_565 . . 6_565 ?
C63A C35A C47A C67A 126(3) 6_565 . . 6_565 ?
Sc2A C35A C47A C67A 77(3) . . . 6_565 ?
C64A C35A C47A C46A -46(4) 6_565 . . . ?
C65A C35A C47A C46A -148.1(18) 6_565 . . . ?
C36A C35A C47A C46A -6(2) . . . . ?
C34A C35A C47A C46A -146.4(16) . . . . ?
C68A C35A C47A C46A 2(2) 6_565 . . . ?
C63A C35A C47A C46A -28(2) 6_565 . . . ?
Sc2A C35A C47A C46A -77.0(16) . . . . ?
C64A C35A C47A C48A 106(4) 6_565 . . . ?
C65A C35A C47A C48A 3.9(18) 6_565 . . . ?
C36A C35A C47A C48A 145.7(15) . . . . ?
C34A C35A C47A C48A 6(2) . . . . ?
C68A C35A C47A C48A 154(5) 6_565 . . . ?
C63A C35A C47A C48A 123.7(15) 6_565 . . . ?
Sc2A C35A C47A C48A 75.0(15) . . . . ?
C65A C35A C47A C64A -102(5) 6_565 . . 6_565 ?
C36A C35A C47A C64A 40(4) . . . 6_565 ?
C34A C35A C47A C64A -100(5) . . . 6_565 ?
C68A C35A C47A C64A 48(5) 6_565 . . 6_565 ?
C63A C35A C47A C64A 18(3) 6_565 . . 6_565 ?
Sc2A C35A C47A C64A -31(4) . . . 6_565 ?
C64A C35A C47A C69A -42(4) 6_565 . . 6_565 ?
C65A C35A C47A C69A -143.5(13) 6_565 . . 6_565 ?
C36A C35A C47A C69A -1.6(17) . . . 6_565 ?
C34A C35A C47A C69A -141.7(13) . . . 6_565 ?
C68A C35A C47A C69A 6(3) 6_565 . . 6_565 ?
C63A C35A C47A C69A -23.7(17) 6_565 . . 6_565 ?
Sc2A C35A C47A C69A -72.3(10) . . . 6_565 ?
C64A C35A C47A C66A 110(4) 6_565 . . 6_565 ?
C65A C35A C47A C66A 8.2(10) 6_565 . . 6_565 ?
C36A C35A C47A C66A 150.1(14) . . . 6_565 ?
C34A C35A C47A C66A 10.0(14) . . . 6_565 ?
C68A C35A C47A C66A 158(4) 6_565 . . 6_565 ?
C63A C35A C47A C66A 128.0(13) 6_565 . . 6_565 ?
Sc2A C35A C47A C66A 79.3(7) . . . 6_565 ?
C68A C47A C48A C67A -74(9) 6_565 . . 6_565 ?
C46A C47A C48A C67A -36(8) . . . 6_565 ?
C35A C47A C48A C67A 170(8) . . . 6_565 ?
C64A C47A C48A C67A -178(8) 6_565 . . 6_565 ?
C69A C47A C48A C67A -51(8) 6_565 . . 6_565 ?
C66A C47A C48A C67A 164(8) 6_565 . . 6_565 ?
C68A C47A C48A C66A 123(6) 6_565 . . 6_565 ?
C67A C47A C48A C66A -164(8) 6_565 . . 6_565 ?
C46A C47A C48A C66A 160.3(16) . . . 6_565 ?
C35A C47A C48A C66A 6.9(18) . . . 6_565 ?
C64A C47A C48A C66A 19(2) 6_565 . . 6_565 ?
C69A C47A C48A C66A 145.1(16) 6_565 . . 6_565 ?
C68A C47A C48A C18A -37(6) 6_565 . . 6_565 ?
C67A C47A C48A C18A 37(7) 6_565 . . 6_565 ?
C46A C47A C48A C18A 0.4(18) . . . 6_565 ?
C35A C47A C48A C18A -152.9(16) . . . 6_565 ?
C64A C47A C48A C18A -141.0(19) 6_565 . . 6_565 ?
C69A C47A C48A C18A -14.7(19) 6_565 . . 6_565 ?
C66A C47A C48A C18A -159.9(19) 6_565 . . 6_565 ?
C68A C47A C48A C28A 107(6) 6_565 . . . ?
C67A C47A C48A C28A -179(8) 6_565 . . . ?
C46A C47A C48A C28A 145.2(13) . . . . ?
C35A C47A C48A C28A -8(2) . . . . ?
C64A C47A C48A C28A 4(2) 6_565 . . . ?
C69A C47A C48A C28A 130.0(14) 6_565 . . . ?
C66A C47A C48A C28A -15.1(10) 6_565 . . . ?
C68A C47A C48A C49A -32(6) 6_565 . . . ?
C67A C47A C48A C49A 42(8) 6_565 . . . ?
C46A C47A C48A C49A 5.7(19) . . . . ?
C35A C47A C48A C49A -147.7(14) . . . . ?
C64A C47A C48A C49A -135.8(16) 6_565 . . . ?
C69A C47A C48A C49A -10(2) 6_565 . . . ?
C66A C47A C48A C49A -154.6(18) 6_565 . . . ?
C67A C47A C48A C68A 74(9) 6_565 . . 6_565 ?
C46A C47A C48A C68A 38(5) . . . 6_565 ?
C35A C47A C48A C68A -116(7) . . . 6_565 ?
C64A C47A C48A C68A -104(7) 6_565 . . 6_565 ?
C69A C47A C48A C68A 23(5) 6_565 . . 6_565 ?
C66A C47A C48A C68A -123(6) 6_565 . . 6_565 ?
C68A C47A C48A C24A 107(6) 6_565 . . 6_565 ?
C67A C47A C48A C24A -179(100) 6_565 . . 6_565 ?
C46A C47A C48A C24A 144.4(13) . . . 6_565 ?
C35A C47A C48A C24A -9(2) . . . 6_565 ?
C64A C47A C48A C24A 3(3) 6_565 . . 6_565 ?
C69A C47A C48A C24A 129.2(13) 6_565 . . 6_565 ?
C66A C47A C48A C24A -15.9(11) 6_565 . . 6_565 ?
C68A C47A C48A Sc3A 39(6) 6_565 . . 6_565 ?
C67A C47A C48A Sc3A 113(8) 6_565 . . 6_565 ?
C46A C47A C48A Sc3A 76.5(13) . . . 6_565 ?
C35A C47A C48A Sc3A -76.9(16) . . . 6_565 ?
C64A C47A C48A Sc3A -64.9(19) 6_565 . . 6_565 ?
C69A C47A C48A Sc3A 61.3(14) 6_565 . . 6_565 ?
C66A C47A C48A Sc3A -83.8(10) 6_565 . . 6_565 ?
C24A C28A C48A C67A -179(5) 6_565 . . 6_565 ?
C66A C28A C48A C67A 29(5) 6_565 . . 6_565 ?
C29A C28A C48A C67A -2(5) . . . 6_565 ?
C27A C28A C48A C67A -152(5) . . . 6_565 ?
C25A C28A C48A C67A -102(5) 6_565 . . 6_565 ?
C23A C28A C48A C67A -164(5) 6_565 . . 6_565 ?
C65A C28A C48A C67A 5(5) 6_565 . . 6_565 ?
Sc3A C28A C48A C67A -100(5) 6_565 . . 6_565 ?
C24A C28A C48A C66A 152(3) 6_565 . . 6_565 ?
C29A C28A C48A C66A -31.1(16) . . . 6_565 ?
C27A C28A C48A C66A 179(2) . . . 6_565 ?
C25A C28A C48A C66A -132(3) 6_565 . . 6_565 ?
C23A C28A C48A C66A 166(2) 6_565 . . 6_565 ?
C67A C28A C48A C66A -29(5) 6_565 . . 6_565 ?
C65A C28A C48A C66A -23.9(15) 6_565 . . 6_565 ?
Sc3A C28A C48A C66A -129.3(19) 6_565 . . 6_565 ?
C24A C28A C48A C18A -42(3) 6_565 . . 6_565 ?
C66A C28A C48A C18A 166(3) 6_565 . . 6_565 ?
C29A C28A C48A C18A 134.5(15) . . . 6_565 ?
C27A C28A C48A C18A -15.7(18) . . . 6_565 ?
C25A C28A C48A C18A 34(3) 6_565 . . 6_565 ?
C23A C28A C48A C18A -28.0(16) 6_565 . . 6_565 ?
C67A C28A C48A C18A 136(6) 6_565 . . 6_565 ?
C65A C28A C48A C18A 141.8(16) 6_565 . . 6_565 ?
Sc3A C28A C48A C18A 36.4(15) 6_565 . . 6_565 ?
C24A C28A C48A C47A -178(2) 6_565 . . . ?
C66A C28A C48A C47A 30(2) 6_565 . . . ?
C29A C28A C48A C47A -1.2(18) . . . . ?
C27A C28A C48A C47A -151.4(13) . . . . ?
C25A C28A C48A C47A -102(2) 6_565 . . . ?
C23A C28A C48A C47A -163.8(13) 6_565 . . . ?
C67A C28A C48A C47A 1(5) 6_565 . . . ?
C65A C28A C48A C47A 6.1(13) 6_565 . . . ?
Sc3A C28A C48A C47A -99.3(13) 6_565 . . . ?
C24A C28A C48A C49A -33(3) 6_565 . . . ?
C66A C28A C48A C49A 175(2) 6_565 . . . ?
C29A C28A C48A C49A 143.4(11) . . . . ?
C27A C28A C48A C49A -6.8(12) . . . . ?
C25A C28A C48A C49A 43(2) 6_565 . . . ?
C23A C28A C48A C49A -19.1(11) 6_565 . . . ?
C67A C28A C48A C49A 145(6) 6_565 . . . ?
C65A C28A C48A C49A 150.7(10) 6_565 . . . ?
Sc3A C28A C48A C49A 45.3(9) 6_565 . . . ?
C24A C28A C48A C68A -169(2) 6_565 . . 6_565 ?
C66A C28A C48A C68A 38.4(19) 6_565 . . 6_565 ?
C29A C28A C48A C68A 7.2(16) . . . 6_565 ?
C27A C28A C48A C68A -143.0(10) . . . 6_565 ?
C25A C28A C48A C68A -93.3(19) 6_565 . . 6_565 ?
C23A C28A C48A C68A -155.3(11) 6_565 . . 6_565 ?
C67A C28A C48A C68A 9(4) 6_565 . . 6_565 ?
C65A C28A C48A C68A 14.5(11) 6_565 . . 6_565 ?
Sc3A C28A C48A C68A -90.9(10) 6_565 . . 6_565 ?
C66A C28A C48A C24A -152(3) 6_565 . . 6_565 ?
C29A C28A C48A C24A 177(3) . . . 6_565 ?
C27A C28A C48A C24A 26(2) . . . 6_565 ?
C25A C28A C48A C24A 76(2) 6_565 . . 6_565 ?
C23A C28A C48A C24A 14(2) 6_565 . . 6_565 ?
C67A C28A C48A C24A 179(5) 6_565 . . 6_565 ?
C65A C28A C48A C24A -176(3) 6_565 . . 6_565 ?
Sc3A C28A C48A C24A 78(2) 6_565 . . 6_565 ?
C24A C28A C48A Sc3A -78(2) 6_565 . . 6_565 ?
C66A C28A C48A Sc3A 129.3(19) 6_565 . . 6_565 ?
C29A C28A C48A Sc3A 98.1(10) . . . 6_565 ?
C27A C28A C48A Sc3A -52.1(6) . . . 6_565 ?
C25A C28A C48A Sc3A -2.4(17) 6_565 . . 6_565 ?
C23A C28A C48A Sc3A -64.4(5) 6_565 . . 6_565 ?
C67A C28A C48A Sc3A 100(5) 6_565 . . 6_565 ?
C65A C28A C48A Sc3A 105.4(6) 6_565 . . 6_565 ?
C67A C48A C49A C18A -1(4) 6_565 . . 6_565 ?
C66A C48A C49A C18A -154(4) 6_565 . . 6_565 ?
C47A C48A C49A C18A -15(4) . . . 6_565 ?
C28A C48A C49A C18A -158(4) . . . 6_565 ?
C68A C48A C49A C18A -20(4) 6_565 . . 6_565 ?
C24A C48A C49A C18A -166(4) 6_565 . . 6_565 ?
Sc3A C48A C49A C18A -114(4) 6_565 . . 6_565 ?
C67A C48A C49A C19A 175(4) 6_565 . . 6_565 ?
C66A C48A C49A C19A 22(3) 6_565 . . 6_565 ?
C18A C48A C49A C19A 176(5) 6_565 . . 6_565 ?
C47A C48A C49A C19A 160.4(19) . . . 6_565 ?
C28A C48A C49A C19A 17(2) . . . 6_565 ?
C68A C48A C49A C19A 155.9(18) 6_565 . . 6_565 ?
C24A C48A C49A C19A 9.4(19) 6_565 . . 6_565 ?
Sc3A C48A C49A C19A 62.1(17) 6_565 . . 6_565 ?
C67A C48A C49A C50A 16(4) 6_565 . . . ?
C66A C48A C49A C50A -137(2) 6_565 . . . ?
C18A C48A C49A C50A 17(3) 6_565 . . . ?
C47A C48A C49A C50A 1.9(18) . . . . ?
C28A C48A C49A C50A -141.0(12) . . . . ?
C68A C48A C49A C50A -2.6(16) 6_565 . . . ?
C24A C48A C49A C50A -149.1(11) 6_565 . . . ?
Sc3A C48A C49A C50A -96.3(11) 6_565 . . . ?
C67A C48A C49A C54A 161(3) 6_565 . . . ?
C66A C48A C49A C54A 8(3) 6_565 . . . ?
C18A C48A C49A C54A 162(4) 6_565 . . . ?
C47A C48A C49A C54A 146.3(12) . . . . ?
C28A C48A C49A C54A 3.4(13) . . . . ?
C68A C48A C49A C54A 141.9(10) 6_565 . . . ?
C24A C48A C49A C54A -4.7(10) 6_565 . . . ?
Sc3A C48A C49A C54A 48.1(7) 6_565 . . . ?
C66A C48A C49A C67A -153(5) 6_565 . . 6_565 ?
C18A C48A C49A C67A 1(4) 6_565 . . 6_565 ?
C47A C48A C49A C67A -14(3) . . . 6_565 ?
C28A C48A C49A C67A -157(4) . . . 6_565 ?
C68A C48A C49A C67A -19(3) 6_565 . . 6_565 ?
C24A C48A C49A C67A -165(4) 6_565 . . 6_565 ?
Sc3A C48A C49A C67A -113(3) 6_565 . . 6_565 ?
C67A C48A C49A C17A 15(3) 6_565 . . 6_565 ?
C66A C48A C49A C17A -138(2) 6_565 . . 6_565 ?
C18A C48A C49A C17A 16(3) 6_565 . . 6_565 ?
C47A C48A C49A C17A 0.5(16) . . . 6_565 ?
C28A C48A C49A C17A -142.4(12) . . . 6_565 ?
C68A C48A C49A C17A -4.0(14) 6_565 . . 6_565 ?
C24A C48A C49A C17A -150.5(11) 6_565 . . 6_565 ?
Sc3A C48A C49A C17A -97.8(11) 6_565 . . 6_565 ?
C67A C48A C49A Sc3A 113(3) 6_565 . . 6_565 ?
C66A C48A C49A Sc3A -40(2) 6_565 . . 6_565 ?
C18A C48A C49A Sc3A 114(4) 6_565 . . 6_565 ?
C47A C48A C49A Sc3A 98.3(11) . . . 6_565 ?
C28A C48A C49A Sc3A -44.7(9) . . . 6_565 ?
C68A C48A C49A Sc3A 93.8(9) 6_565 . . 6_565 ?
C24A C48A C49A Sc3A -52.8(6) 6_565 . . 6_565 ?
C18A C49A C50A C17A 14(5) 6_565 . . 6_565 ?
C19A C49A C50A C17A -165(5) 6_565 . . 6_565 ?
C54A C49A C50A C17A -145(4) . . . 6_565 ?
C48A C49A C50A C17A -6(5) . . . 6_565 ?
C67A C49A C50A C17A -1(5) 6_565 . . 6_565 ?
Sc3A C49A C50A C17A -95(5) 6_565 . . 6_565 ?
C19A C49A C50A C18A -179(5) 6_565 . . 6_565 ?
C54A C49A C50A C18A -159(4) . . . 6_565 ?
C48A C49A C50A C18A -19(3) . . . 6_565 ?
C67A C49A C50A C18A -14(3) 6_565 . . 6_565 ?
C17A C49A C50A C18A -14(5) 6_565 . . 6_565 ?
Sc3A C49A C50A C18A -108(4) 6_565 . . 6_565 ?
C18A C49A C50A C16A 148(5) 6_565 . . 6_565 ?
C19A C49A C50A C16A -30(3) 6_565 . . 6_565 ?
C54A C49A C50A C16A -11(3) . . . 6_565 ?
C48A C49A C50A C16A 129(2) . . . 6_565 ?
C67A C49A C50A C16A 134(2) 6_565 . . 6_565 ?
C17A C49A C50A C16A 135(7) 6_565 . . 6_565 ?
Sc3A C49A C50A C16A 40(3) 6_565 . . 6_565 ?
C18A C49A C50A C45A 12(4) 6_565 . . . ?
C19A C49A C50A C45A -166.5(19) 6_565 . . . ?
C54A C49A C50A C45A -146.9(13) . . . . ?
C48A C49A C50A C45A -7.1(18) . . . . ?
C67A C49A C50A C45A -2.2(16) 6_565 . . . ?
C17A C49A C50A C45A -2(4) 6_565 . . . ?
Sc3A C49A C50A C45A -96.3(12) 6_565 . . . ?
C18A C49A C50A C51A 158(4) 6_565 . . . ?
C19A C49A C50A C51A -20(2) 6_565 . . . ?
C54A C49A C50A C51A -1(2) . . . . ?
C48A C49A C50A C51A 139.1(13) . . . . ?
C67A C49A C50A C51A 143.9(14) 6_565 . . . ?
C17A C49A C50A C51A 145(6) 6_565 . . . ?
Sc3A C49A C50A C51A 49.9(14) 6_565 . . . ?
C18A C49A C50A C70A 22(4) 6_565 . . 6_565 ?
C19A C49A C50A C70A -156.2(18) 6_565 . . 6_565 ?
C54A C49A C50A C70A -136.6(12) . . . 6_565 ?
C48A C49A C50A C70A 3.3(18) . . . 6_565 ?
C67A C49A C50A C70A 8.1(16) 6_565 . . 6_565 ?
C17A C49A C50A C70A 9(4) 6_565 . . 6_565 ?
Sc3A C49A C50A C70A -85.9(11) 6_565 . . 6_565 ?
C18A C49A C50A C19A 179(5) 6_565 . . 6_565 ?
C54A C49A C50A C19A 19.6(14) . . . 6_565 ?
C48A C49A C50A C19A 159(2) . . . 6_565 ?
C67A C49A C50A C19A 164(2) 6_565 . . 6_565 ?
C17A C49A C50A C19A 165(5) 6_565 . . 6_565 ?
Sc3A C49A C50A C19A 70.2(16) 6_565 . . 6_565 ?
C70A C45A C50A C17A -40(18) 6_565 . . 6_565 ?
C46A C45A C50A C17A -167(18) . . . 6_565 ?
C44A C45A C50A C17A -22(18) . . . 6_565 ?
C69A C45A C50A C17A -146(18) 6_565 . . 6_565 ?
C10A C45A C50A C17A -24(18) 6_565 . . 6_565 ?
C18A C45A C50A C17A -177(19) 6_565 . . 6_565 ?
C70A C45A C50A C18A 137(5) 6_565 . . 6_565 ?
C17A C45A C50A C18A 177(19) 6_565 . . 6_565 ?
C46A C45A C50A C18A 9(2) . . . 6_565 ?
C44A C45A C50A C18A 154.9(17) . . . 6_565 ?
C69A C45A C50A C18A 31(2) 6_565 . . 6_565 ?
C10A C45A C50A C18A 152.7(16) 6_565 . . 6_565 ?
C70A C45A C50A C16A -20(5) 6_565 . . 6_565 ?
C17A C45A C50A C16A 21(17) 6_565 . . 6_565 ?
C46A C45A C50A C16A -146.6(15) . . . 6_565 ?
C44A C45A C50A C16A -1(2) . . . 6_565 ?
C69A C45A C50A C16A -125.1(17) 6_565 . . 6_565 ?
C10A C45A C50A C16A -3(2) 6_565 . . 6_565 ?
C18A C45A C50A C16A -156(2) 6_565 . . 6_565 ?
C70A C45A C50A C49A 132(5) 6_565 . . . ?
C17A C45A C50A C49A 173(19) 6_565 . . . ?
C46A C45A C50A C49A 5(2) . . . . ?
C44A C45A C50A C49A 150.8(13) . . . . ?
C69A C45A C50A C49A 27(2) 6_565 . . . ?
C10A C45A C50A C49A 148.5(13) 6_565 . . . ?
C18A C45A C50A C49A -4.2(13) 6_565 . . . ?
C70A C45A C50A C51A -15(6) 6_565 . . . ?
C17A C45A C50A C51A 26(18) 6_565 . . . ?
C46A C45A C50A C51A -141.7(13) . . . . ?
C44A C45A C50A C51A 4(2) . . . . ?
C69A C45A C50A C51A -120.2(16) 6_565 . . . ?
C10A C45A C50A C51A 2(2) 6_565 . . . ?
C18A C45A C50A C51A -151(2) 6_565 . . . ?
C17A C45A C50A C70A 40(18) 6_565 . . 6_565 ?
C46A C45A C50A C70A -127(6) . . . 6_565 ?
C44A C45A C50A C70A 18(4) . . . 6_565 ?
C69A C45A C50A C70A -106(6) 6_565 . . 6_565 ?
C10A C45A C50A C70A 16(4) 6_565 . . 6_565 ?
C18A C45A C50A C70A -137(5) 6_565 . . 6_565 ?
C70A C45A C50A C19A 123(5) 6_565 . . 6_565 ?
C17A C45A C50A C19A 164(19) 6_565 . . 6_565 ?
C46A C45A C50A C19A -4(3) . . . 6_565 ?
C44A C45A C50A C19A 141.8(15) . . . 6_565 ?
C69A C45A C50A C19A 18(3) 6_565 . . 6_565 ?
C10A C45A C50A C19A 139.6(15) 6_565 . . 6_565 ?
C18A C45A C50A C19A -13.1(12) 6_565 . . 6_565 ?
C17A C50A C51A C16A -10(5) 6_565 . . 6_565 ?
C18A C50A C51A C16A -149(5) 6_565 . . 6_565 ?
C49A C50A C51A C16A -160(4) . . . 6_565 ?
C45A C50A C51A C16A -15(4) . . . 6_565 ?
C70A C50A C51A C16A -18(4) 6_565 . . 6_565 ?
C19A C50A C51A C16A -168(4) 6_565 . . 6_565 ?
C17A C50A C51A C15A 149(5) 6_565 . . 6_565 ?
C18A C50A C51A C15A 10(4) 6_565 . . 6_565 ?
C16A C50A C51A C15A 159(5) 6_565 . . 6_565 ?
C49A C50A C51A C15A -1(3) . . . 6_565 ?
C45A C50A C51A C15A 144(2) . . . 6_565 ?
C70A C50A C51A C15A 141(2) 6_565 . . 6_565 ?
C19A C50A C51A C15A -10(2) 6_565 . . 6_565 ?
C17A C50A C51A C52A 146(4) 6_565 . . . ?
C18A C50A C51A C52A 8(3) 6_565 . . . ?
C16A C50A C51A C52A 156(4) 6_565 . . . ?
C49A C50A C51A C52A -3(2) . . . . ?
C45A C50A C51A C52A 141.8(16) . . . . ?
C70A C50A C51A C52A 138.7(13) 6_565 . . . ?
C19A C50A C51A C52A -12.1(16) 6_565 . . . ?
C17A C50A C51A C55A 5(5) 6_565 . . . ?
C18A C50A C51A C55A -134(2) 6_565 . . . ?
C16A C50A C51A C55A 14(3) 6_565 . . . ?
C49A C50A C51A C55A -145.3(14) . . . . ?
C45A C50A C51A C55A 0(2) . . . . ?
C70A C50A C51A C55A -3.3(17) 6_565 . . . ?
C19A C50A C51A C55A -154.1(12) 6_565 . . . ?
C18A C50A C51A C17A -139(6) 6_565 . . 6_565 ?
C16A C50A C51A C17A 10(5) 6_565 . . 6_565 ?
C49A C50A C51A C17A -150(5) . . . 6_565 ?
C45A C50A C51A C17A -5(3) . . . 6_565 ?
C70A C50A C51A C17A -8(3) 6_565 . . 6_565 ?
C19A C50A C51A C17A -159(5) 6_565 . . 6_565 ?
C17A C50A C51A C11A 2(4) 6_565 . . 6_565 ?
C18A C50A C51A C11A -136(3) 6_565 . . 6_565 ?
C16A C50A C51A C11A 12(3) 6_565 . . 6_565 ?
C49A C50A C51A C11A -147.4(14) . . . 6_565 ?
C45A C50A C51A C11A -2.2(17) . . . 6_565 ?
C70A C50A C51A C11A -5.3(12) 6_565 . . 6_565 ?
C19A C50A C51A C11A -156.1(10) 6_565 . . 6_565 ?
C17A C50A C51A C20A 158(4) 6_565 . . 6_565 ?
C18A C50A C51A C20A 19(3) 6_565 . . 6_565 ?
C16A C50A C51A C20A 168(4) 6_565 . . 6_565 ?
C49A C50A C51A C20A 8.2(14) . . . 6_565 ?
C45A C50A C51A C20A 153.3(17) . . . 6_565 ?
C70A C50A C51A C20A 150.2(12) 6_565 . . 6_565 ?
C19A C50A C51A C20A -0.6(8) 6_565 . . 6_565 ?
C16A C51A C52A C15A 153(38) 6_565 . . 6_565 ?
C55A C51A C52A C15A -145(35) . . . 6_565 ?
C50A C51A C52A C15A 68(35) . . . 6_565 ?
C17A C51A C52A C15A 81(35) 6_565 . . 6_565 ?
C11A C51A C52A C15A -161(35) 6_565 . . 6_565 ?
C20A C51A C52A C15A 50(34) 6_565 . . 6_565 ?
C16A C51A C52A C20A 103(7) 6_565 . . 6_565 ?
C15A C51A C52A C20A -50(34) 6_565 . . 6_565 ?
C55A C51A C52A C20A 164.7(14) . . . 6_565 ?
C50A C51A C52A C20A 18.3(19) . . . 6_565 ?
C17A C51A C52A C20A 31(2) 6_565 . . 6_565 ?
C11A C51A C52A C20A 149.4(15) 6_565 . . 6_565 ?
C16A C51A C52A C14A -60(7) 6_565 . . . ?
C15A C51A C52A C14A 147(36) 6_565 . . . ?
C55A C51A C52A C14A 1.8(16) . . . . ?
C50A C51A C52A C14A -144.6(13) . . . . ?
C17A C51A C52A C14A -132.2(15) 6_565 . . . ?
C11A C51A C52A C14A -14(2) 6_565 . . . ?
C20A C51A C52A C14A -163(2) 6_565 . . . ?
C16A C51A C52A C53A 90(7) 6_565 . . . ?
C15A C51A C52A C53A -63(35) 6_565 . . . ?
C55A C51A C52A C53A 151.6(13) . . . . ?
C50A C51A C52A C53A 5(2) . . . . ?
C17A C51A C52A C53A 18(2) 6_565 . . . ?
C11A C51A C52A C53A 136.2(13) 6_565 . . . ?
C20A C51A C52A C53A -13.2(10) 6_565 . . . ?
C15A C51A C52A C16A -153(38) 6_565 . . 6_565 ?
C55A C51A C52A C16A 62(6) . . . 6_565 ?
C50A C51A C52A C16A -85(7) . . . 6_565 ?
C17A C51A C52A C16A -72(7) 6_565 . . 6_565 ?
C11A C51A C52A C16A 46(6) 6_565 . . 6_565 ?
C20A C51A C52A C16A -103(7) 6_565 . . 6_565 ?
C16A C51A C52A Sc3A 44(7) 6_565 . . 6_565 ?
C15A C51A C52A Sc3A -109(35) 6_565 . . 6_565 ?
C55A C51A C52A Sc3A 105.3(10) . . . 6_565 ?
C50A C51A C52A Sc3A -41.1(13) . . . 6_565 ?
C17A C51A C52A Sc3A -28.7(16) 6_565 . . 6_565 ?
C11A C51A C52A Sc3A 90.0(13) 6_565 . . 6_565 ?
C20A C51A C52A Sc3A -59.4(11) 6_565 . . 6_565 ?
C13A C14A C52A C15A 3(5) . . . 6_565 ?
C13A C14A C52A C15A 14(5) 6_565 . . 6_565 ?
C52A C14A C52A C15A 152(4) 6_565 . . 6_565 ?
C15A C14A C52A C15A 145(5) . . . 6_565 ?
C13A C14A C52A C20A -147(3) . . . 6_565 ?
C13A C14A C52A C20A -136(3) 6_565 . . 6_565 ?
C52A C14A C52A C20A 2(4) 6_565 . . 6_565 ?
C15A C14A C52A C20A -150(7) 6_565 . . 6_565 ?
C15A C14A C52A C20A -5(3) . . . 6_565 ?
C13A C14A C52A C51A 0.0(15) . . . . ?
C13A C14A C52A C51A 11(2) 6_565 . . . ?
C52A C14A C52A C51A 149.3(8) 6_565 . . . ?
C15A C14A C52A C51A -3(4) 6_565 . . . ?
C15A C14A C52A C51A 141.6(12) . . . . ?
C13A C14A C52A C53A -149.1(12) . . . . ?
C13A C14A C52A C53A -138.0(11) 6_565 . . . ?
C52A C14A C52A C53A 0(2) 6_565 . . . ?
C15A C14A C52A C53A -152(6) 6_565 . . . ?
C15A C14A C52A C53A -7.5(16) . . . . ?
C13A C14A C52A C16A -5.0(15) . . . 6_565 ?
C13A C14A C52A C16A 6(2) 6_565 . . 6_565 ?
C52A C14A C52A C16A 144.3(7) 6_565 . . 6_565 ?
C15A C14A C52A C16A -8(4) 6_565 . . 6_565 ?
C15A C14A C52A C16A 136.6(12) . . . 6_565 ?
C13A C14A C52A Sc3A -99.4(7) . . . 6_565 ?
C13A C14A C52A Sc3A -88.3(11) 6_565 . . 6_565 ?
C52A C14A C52A Sc3A 49.9(13) 6_565 . . 6_565 ?
C15A C14A C52A Sc3A -102(5) 6_565 . . 6_565 ?
C15A C14A C52A Sc3A 42.2(8) . . . 6_565 ?
C53A C21A C53A C21A 180.00(2) 6_565 . . 6_565 ?
C22A C21A C53A C21A -46.5(19) . . . 6_565 ?
C20A C21A C53A C21A 177.4(12) . . . 6_565 ?
C22A C21A C53A C21A -32.9(14) 6_565 . . 6_565 ?
C54A C21A C53A C21A -126.6(13) 6_565 . . 6_565 ?
Sc3A C21A C53A C21A -114.3(14) . . . 6_565 ?
Sc3A C21A C53A C21A -105.0(14) 6_565 . . 6_565 ?
C21A C21A C53A C54A 48.9(11) 6_565 . . . ?
C53A C21A C53A C54A -131.1(11) 6_565 . . . ?
C22A C21A C53A C54A 2.3(15) . . . . ?
C20A C21A C53A C54A -133.7(12) . . . . ?
C22A C21A C53A C54A 16.0(10) 6_565 . . . ?
C54A C21A C53A C54A -77.8(14) 6_565 . . . ?
Sc3A C21A C53A C54A -65.4(10) . . . . ?
Sc3A C21A C53A C54A -56.1(9) 6_565 . . . ?
C21A C21A C53A C52A -162(2) 6_565 . . . ?
C53A C21A C53A C52A 18(2) 6_565 . . . ?
C22A C21A C53A C52A 151.4(10) . . . . ?
C20A C21A C53A C52A 15.4(14) . . . . ?
C22A C21A C53A C52A 165.0(11) 6_565 . . . ?
C54A C21A C53A C52A 71.3(14) 6_565 . . . ?
Sc3A C21A C53A C52A 83.7(10) . . . . ?
Sc3A C21A C53A C52A 92.9(10) 6_565 . . . ?
C21A C21A C53A C15A -168(3) 6_565 . . 6_565 ?
C53A C21A C53A C15A 12(3) 6_565 . . 6_565 ?
C22A C21A C53A C15A 145.4(12) . . . 6_565 ?
C20A C21A C53A C15A 9.4(16) . . . 6_565 ?
C22A C21A C53A C15A 159.1(14) 6_565 . . 6_565 ?
C54A C21A C53A C15A 65.3(16) 6_565 . . 6_565 ?
Sc3A C21A C53A C15A 77.7(13) . . . 6_565 ?
Sc3A C21A C53A C15A 86.9(13) 6_565 . . 6_565 ?
C21A C21A C53A C19A 49.3(11) 6_565 . . 6_565 ?
C53A C21A C53A C19A -130.7(11) 6_565 . . 6_565 ?
C22A C21A C53A C19A 2.8(19) . . . 6_565 ?
C20A C21A C53A C19A -133.2(16) . . . 6_565 ?
C22A C21A C53A C19A 16.5(14) 6_565 . . 6_565 ?
C54A C21A C53A C19A -77.3(17) 6_565 . . 6_565 ?
Sc3A C21A C53A C19A -64.9(15) . . . 6_565 ?
Sc3A C21A C53A C19A -55.7(14) 6_565 . . 6_565 ?
C21A C21A C53A C22A 32.9(14) 6_565 . . 6_565 ?
C53A C21A C53A C22A -147.1(14) 6_565 . . 6_565 ?
C22A C21A C53A C22A -13.6(6) . . . 6_565 ?
C20A C21A C53A C22A -149.7(10) . . . 6_565 ?
C54A C21A C53A C22A -93.7(9) 6_565 . . 6_565 ?
Sc3A C21A C53A C22A -81.4(4) . . . 6_565 ?
Sc3A C21A C53A C22A -72.1(4) 6_565 . . 6_565 ?
C21A C21A C53A C53A 180.004(17) 6_565 . . 6_565 ?
C22A C21A C53A C53A 133.5(19) . . . 6_565 ?
C20A C21A C53A C53A -2.5(12) . . . 6_565 ?
C22A C21A C53A C53A 147.1(14) 6_565 . . 6_565 ?
C54A C21A C53A C53A 53.4(13) 6_565 . . 6_565 ?
Sc3A C21A C53A C53A 65.8(14) . . . 6_565 ?
Sc3A C21A C53A C53A 75.0(14) 6_565 . . 6_565 ?
C21A C21A C53A Sc3A 105.0(14) 6_565 . . 6_565 ?
C53A C21A C53A Sc3A -75.0(14) 6_565 . . 6_565 ?
C22A C21A C53A Sc3A 58.5(8) . . . 6_565 ?
C20A C21A C53A Sc3A -77.5(8) . . . 6_565 ?
C22A C21A C53A Sc3A 72.1(4) 6_565 . . 6_565 ?
C54A C21A C53A Sc3A -21.6(9) 6_565 . . 6_565 ?
Sc3A C21A C53A Sc3A -9.24(17) . . . 6_565 ?
C21A C21A C53A Sc3A 114.3(14) 6_565 . . . ?
C53A C21A C53A Sc3A -65.8(14) 6_565 . . . ?
C22A C21A C53A Sc3A 67.7(7) . . . . ?
C20A C21A C53A Sc3A -68.3(8) . . . . ?
C22A C21A C53A Sc3A 81.4(4) 6_565 . . . ?
C54A C21A C53A Sc3A -12.4(8) 6_565 . . . ?
Sc3A C21A C53A Sc3A 9.24(17) 6_565 . . . ?
C15A C52A C53A C20A 27(5) 6_565 . . 6_565 ?
C51A C52A C53A C20A 32(2) . . . 6_565 ?
C14A C52A C53A C20A 177(3) . . . 6_565 ?
C16A C52A C53A C20A 39(2) 6_565 . . 6_565 ?
Sc3A C52A C53A C20A 101(2) 6_565 . . 6_565 ?
C15A C52A C53A C21A -167(5) 6_565 . . 6_565 ?
C20A C52A C53A C21A 166(4) 6_565 . . 6_565 ?
C51A C52A C53A C21A -162(2) . . . 6_565 ?
C14A C52A C53A C21A -16(3) . . . 6_565 ?
C16A C52A C53A C21A -155(2) 6_565 . . 6_565 ?
Sc3A C52A C53A C21A -93(2) 6_565 . . 6_565 ?
C15A C52A C53A C54A -8(5) 6_565 . . . ?
C20A C52A C53A C54A -35(2) 6_565 . . . ?
C51A C52A C53A C54A -2.9(18) . . . . ?
C14A C52A C53A C54A 142.1(14) . . . . ?
C16A C52A C53A C54A 3.7(18) 6_565 . . . ?
Sc3A C52A C53A C54A 66.0(9) 6_565 . . . ?
C15A C52A C53A C21A -157(5) 6_565 . . . ?
C20A C52A C53A C21A 175(3) 6_565 . . . ?
C51A C52A C53A C21A -152.3(13) . . . . ?
C14A C52A C53A C21A -7.2(19) . . . . ?
C16A C52A C53A C21A -145.7(13) 6_565 . . . ?
Sc3A C52A C53A C21A -83.4(9) 6_565 . . . ?
C20A C52A C53A C15A -27(5) 6_565 . . 6_565 ?
C51A C52A C53A C15A 5(4) . . . 6_565 ?
C14A C52A C53A C15A 150(6) . . . 6_565 ?
C16A C52A C53A C15A 12(4) 6_565 . . 6_565 ?
Sc3A C52A C53A C15A 74(5) 6_565 . . 6_565 ?
C15A C52A C53A C19A 2(5) 6_565 . . 6_565 ?
C20A C52A C53A C19A -25.7(19) 6_565 . . 6_565 ?
C51A C52A C53A C19A 6.6(16) . . . 6_565 ?
C14A C52A C53A C19A 151.7(14) . . . 6_565 ?
C16A C52A C53A C19A 13.2(15) 6_565 . . 6_565 ?
Sc3A C52A C53A C19A 75.5(8) 6_565 . . 6_565 ?
C15A C52A C53A C22A -83(6) 6_565 . . 6_565 ?
C20A C52A C53A C22A -111(4) 6_565 . . 6_565 ?
C51A C52A C53A C22A -78(3) . . . 6_565 ?
C14A C52A C53A C22A 67(4) . . . 6_565 ?
C16A C52A C53A C22A -72(3) 6_565 . . 6_565 ?
Sc3A C52A C53A C22A -9(3) 6_565 . . 6_565 ?
C15A C52A C53A C53A -150(5) 6_565 . . 6_565 ?
C20A C52A C53A C53A -177(2) 6_565 . . 6_565 ?
C51A C52A C53A C53A -145.2(13) . . . 6_565 ?
C14A C52A C53A C53A -0.1(14) . . . 6_565 ?
C16A C52A C53A C53A -138.6(12) 6_565 . . 6_565 ?
Sc3A C52A C53A C53A -76.3(3) 6_565 . . 6_565 ?
C15A C52A C53A Sc3A -74(5) 6_565 . . 6_565 ?
C20A C52A C53A Sc3A -101(2) 6_565 . . 6_565 ?
C51A C52A C53A Sc3A -68.9(13) . . . 6_565 ?
C14A C52A C53A Sc3A 76.2(14) . . . 6_565 ?
C16A C52A C53A Sc3A -62.3(13) 6_565 . . 6_565 ?
C15A C52A C53A Sc3A -95(5) 6_565 . . . ?
C20A C52A C53A Sc3A -122(2) 6_565 . . . ?
C51A C52A C53A Sc3A -90.0(13) . . . . ?
C14A C52A C53A Sc3A 55.1(14) . . . . ?
C16A C52A C53A Sc3A -83.4(13) 6_565 . . . ?
Sc3A C52A C53A Sc3A -21.10(16) 6_565 . . . ?
C20A C53A C54A C19A -2(3) 6_565 . . 6_565 ?
C21A C53A C54A C19A -165(3) 6_565 . . 6_565 ?
C21A C53A C54A C19A 179(2) . . . 6_565 ?
C52A C53A C54A C19A 30(3) . . . 6_565 ?
C15A C53A C54A C19A 28(3) 6_565 . . 6_565 ?
C22A C53A C54A C19A -165(3) 6_565 . . 6_565 ?
C53A C53A C54A C19A 155(2) 6_565 . . 6_565 ?
Sc3A C53A C54A C19A 115(3) 6_565 . . 6_565 ?
Sc3A C53A C54A C19A 125(3) . . . 6_565 ?
C20A C53A C54A C23A 157(3) 6_565 . . 6_565 ?
C21A C53A C54A C23A -6(2) 6_565 . . 6_565 ?
C21A C53A C54A C23A -22(2) . . . 6_565 ?
C52A C53A C54A C23A -170.7(16) . . . 6_565 ?
C15A C53A C54A C23A -172.4(16) 6_565 . . 6_565 ?
C19A C53A C54A C23A 159(4) 6_565 . . 6_565 ?
C22A C53A C54A C23A -5.8(14) 6_565 . . 6_565 ?
C53A C53A C54A C23A -46(2) 6_565 . . 6_565 ?
Sc3A C53A C54A C23A -86.1(16) 6_565 . . 6_565 ?
Sc3A C53A C54A C23A -75.8(16) . . . 6_565 ?
C21A C53A C54A C20A -163(3) 6_565 . . 6_565 ?
C21A C53A C54A C20A -179(3) . . . 6_565 ?
C52A C53A C54A C20A 32.3(19) . . . 6_565 ?
C15A C53A C54A C20A 30.5(16) 6_565 . . 6_565 ?
C19A C53A C54A C20A 2(3) 6_565 . . 6_565 ?
C22A C53A C54A C20A -163(2) 6_565 . . 6_565 ?
C53A C53A C54A C20A 157(2) 6_565 . . 6_565 ?
Sc3A C53A C54A C20A 117(2) 6_565 . . 6_565 ?
Sc3A C53A C54A C20A 127(2) . . . 6_565 ?
C20A C53A C54A C49A -33(2) 6_565 . . . ?
C21A C53A C54A C49A 163.8(13) 6_565 . . . ?
C21A C53A C54A C49A 147.6(10) . . . . ?
C52A C53A C54A C49A -1.2(16) . . . . ?
C15A C53A C54A C49A -2.9(15) 6_565 . . . ?
C19A C53A C54A C49A -31(2) 6_565 . . . ?
C22A C53A C54A C49A 163.7(12) 6_565 . . . ?
C53A C53A C54A C49A 123.8(8) 6_565 . . . ?
Sc3A C53A C54A C49A 83.4(10) 6_565 . . . ?
Sc3A C53A C54A C49A 93.7(9) . . . . ?
C20A C53A C54A C27A -172(2) 6_565 . . . ?
C21A C53A C54A C27A 24.9(18) 6_565 . . . ?
C21A C53A C54A C27A 8.6(16) . . . . ?
C52A C53A C54A C27A -140.1(11) . . . . ?
C15A C53A C54A C27A -141.9(11) 6_565 . . . ?
C19A C53A C54A C27A -170(3) 6_565 . . . ?
C22A C53A C54A C27A 24.7(8) 6_565 . . . ?
C53A C53A C54A C27A -15.1(14) 6_565 . . . ?
Sc3A C53A C54A C27A -55.6(9) 6_565 . . . ?
Sc3A C53A C54A C27A -45.3(10) . . . . ?
C20A C53A C54A C22A 163(2) 6_565 . . 6_565 ?
C21A C53A C54A C22A 0.2(12) 6_565 . . 6_565 ?
C21A C53A C54A C22A -16.1(10) . . . 6_565 ?
C52A C53A C54A C22A -164.8(11) . . . 6_565 ?
C15A C53A C54A C22A -166.6(10) 6_565 . . 6_565 ?
C19A C53A C54A C22A 165(3) 6_565 . . 6_565 ?
C53A C53A C54A C22A -39.8(7) 6_565 . . 6_565 ?
Sc3A C53A C54A C22A -80.3(5) 6_565 . . 6_565 ?
Sc3A C53A C54A C22A -70.0(4) . . . 6_565 ?
C20A C53A C54A C21A 163(3) 6_565 . . 6_565 ?
C21A C53A C54A C21A -16.3(6) . . . 6_565 ?
C52A C53A C54A C21A -165.0(19) . . . 6_565 ?
C15A C53A C54A C21A -167(2) 6_565 . . 6_565 ?
C19A C53A C54A C21A 165(3) 6_565 . . 6_565 ?
C22A C53A C54A C21A -0.2(12) 6_565 . . 6_565 ?
C53A C53A C54A C21A -40.0(10) 6_565 . . 6_565 ?
Sc3A C53A C54A C21A -80.4(13) 6_565 . . 6_565 ?
Sc3A C53A C54A C21A -70.1(12) . . . 6_565 ?
C20A C53A C54A C18A -38(2) 6_565 . . 6_565 ?
C21A C53A C54A C18A 158.9(14) 6_565 . . 6_565 ?
C21A C53A C54A C18A 142.6(11) . . . 6_565 ?
C52A C53A C54A C18A -6.1(16) . . . 6_565 ?
C15A C53A C54A C18A -7.9(15) 6_565 . . 6_565 ?
C19A C53A C54A C18A -36(2) 6_565 . . 6_565 ?
C22A C53A C54A C18A 158.7(12) 6_565 . . 6_565 ?
C53A C53A C54A C18A 118.9(8) 6_565 . . 6_565 ?
Sc3A C53A C54A C18A 78.4(10) 6_565 . . 6_565 ?
Sc3A C53A C54A C18A 88.7(10) . . . 6_565 ?
C20A C53A C54A Sc3A -117(2) 6_565 . . 6_565 ?
C21A C53A C54A Sc3A 80.4(13) 6_565 . . 6_565 ?
C21A C53A C54A Sc3A 64.2(9) . . . 6_565 ?
C52A C53A C54A Sc3A -84.5(10) . . . 6_565 ?
C15A C53A C54A Sc3A -86.3(9) 6_565 . . 6_565 ?
C19A C53A C54A Sc3A -115(3) 6_565 . . 6_565 ?
C22A C53A C54A Sc3A 80.3(5) 6_565 . . 6_565 ?
C53A C53A C54A Sc3A 40.4(6) 6_565 . . 6_565 ?
Sc3A C53A C54A Sc3A 10.32(14) . . . 6_565 ?
C20A C53A C54A Sc3A -127(2) 6_565 . . . ?
C21A C53A C54A Sc3A 70.1(12) 6_565 . . . ?
C21A C53A C54A Sc3A 53.9(9) . . . . ?
C52A C53A C54A Sc3A -94.9(10) . . . . ?
C15A C53A C54A Sc3A -96.6(9) 6_565 . . . ?
C19A C53A C54A Sc3A -125(3) 6_565 . . . ?
C22A C53A C54A Sc3A 70.0(4) 6_565 . . . ?
C53A C53A C54A Sc3A 30.1(5) 6_565 . . . ?
Sc3A C53A C54A Sc3A -10.32(14) 6_565 . . . ?
C18A C49A C54A C19A -153(10) 6_565 . . 6_565 ?
C50A C49A C54A C19A -78(3) . . . 6_565 ?
C48A C49A C54A C19A 137(4) . . . 6_565 ?
C67A C49A C54A C19A 144(4) 6_565 . . 6_565 ?
C17A C49A C54A C19A -89(3) 6_565 . . 6_565 ?
Sc3A C49A C54A C19A -153(3) 6_565 . . 6_565 ?
C18A C49A C54A C23A 99(8) 6_565 . . 6_565 ?
C19A C49A C54A C23A -108(4) 6_565 . . 6_565 ?
C50A C49A C54A C23A 174.4(15) . . . 6_565 ?
C48A C49A C54A C23A 29.5(15) . . . 6_565 ?
C67A C49A C54A C23A 36.0(17) 6_565 . . 6_565 ?
C17A C49A C54A C23A 163.6(17) 6_565 . . 6_565 ?
Sc3A C49A C54A C23A 99.0(12) 6_565 . . 6_565 ?
C18A C49A C54A C20A -86(8) 6_565 . . 6_565 ?
C19A C49A C54A C20A 67(3) 6_565 . . 6_565 ?
C50A C49A C54A C20A -11.3(16) . . . 6_565 ?
C48A C49A C54A C20A -156.1(12) . . . 6_565 ?
C67A C49A C54A C20A -149.6(14) 6_565 . . 6_565 ?
C17A C49A C54A C20A -22.1(17) 6_565 . . 6_565 ?
Sc3A C49A C54A C20A -86.6(9) 6_565 . . 6_565 ?
C18A C49A C54A C53A -72(8) 6_565 . . . ?
C19A C49A C54A C53A 81(3) 6_565 . . . ?
C50A C49A C54A C53A 2.9(17) . . . . ?
C48A C49A C54A C53A -142.0(12) . . . . ?
C67A C49A C54A C53A -135.4(13) 6_565 . . . ?
C17A C49A C54A C53A -7.9(19) 6_565 . . . ?
Sc3A C49A C54A C53A -72.5(9) 6_565 . . . ?
C18A C49A C54A C27A 71(8) 6_565 . . . ?
C19A C49A C54A C27A -136(4) 6_565 . . . ?
C50A C49A C54A C27A 146.2(13) . . . . ?
C48A C49A C54A C27A 1.3(12) . . . . ?
C67A C49A C54A C27A 7.9(15) 6_565 . . . ?
C17A C49A C54A C27A 135.4(14) 6_565 . . . ?
Sc3A C49A C54A C27A 70.9(8) 6_565 . . . ?
C18A C49A C54A C22A 57(8) 6_565 . . 6_565 ?
C19A C49A C54A C22A -150(5) 6_565 . . 6_565 ?
C50A C49A C54A C22A 132(2) . . . 6_565 ?
C48A C49A C54A C22A -13(3) . . . 6_565 ?
C67A C49A C54A C22A -6(3) 6_565 . . 6_565 ?
C17A C49A C54A C22A 121(2) 6_565 . . 6_565 ?
Sc3A C49A C54A C22A 57(2) 6_565 . . 6_565 ?
C18A C49A C54A C21A -60(8) 6_565 . . 6_565 ?
C19A C49A C54A C21A 93(3) 6_565 . . 6_565 ?
C50A C49A C54A C21A 15(2) . . . 6_565 ?
C48A C49A C54A C21A -129.4(14) . . . 6_565 ?
C67A C49A C54A C21A -122.8(14) 6_565 . . 6_565 ?
C17A C49A C54A C21A 5(2) 6_565 . . 6_565 ?
Sc3A C49A C54A C21A -59.9(14) 6_565 . . 6_565 ?
C19A C49A C54A C18A 153(10) 6_565 . . 6_565 ?
C50A C49A C54A C18A 75(8) . . . 6_565 ?
C48A C49A C54A C18A -70(8) . . . 6_565 ?
C67A C49A C54A C18A -63(8) 6_565 . . 6_565 ?
C17A C49A C54A C18A 64(8) 6_565 . . 6_565 ?
Sc3A C49A C54A C18A 0(8) 6_565 . . 6_565 ?
C18A C49A C54A Sc3A 0(8) 6_565 . . 6_565 ?
C19A C49A C54A Sc3A 153(3) 6_565 . . 6_565 ?
C50A C49A C54A Sc3A 75.4(13) . . . 6_565 ?
C48A C49A C54A Sc3A -69.5(9) . . . 6_565 ?
C67A C49A C54A Sc3A -63.0(12) 6_565 . . 6_565 ?
C17A C49A C54A Sc3A 64.5(14) 6_565 . . 6_565 ?
C18A C49A C54A Sc3A -3(8) 6_565 . . . ?
C19A C49A C54A Sc3A 150(3) 6_565 . . . ?
C50A C49A C54A Sc3A 72.1(13) . . . . ?
C48A C49A C54A Sc3A -72.7(9) . . . . ?
C67A C49A C54A Sc3A -66.2(12) 6_565 . . . ?
C17A C49A C54A Sc3A 61.3(15) 6_565 . . . ?
Sc3A C49A C54A Sc3A -3.21(11) 6_565 . . . ?
C23A C27A C54A C19A 72(3) 6_565 . . 6_565 ?
C24A C27A C54A C19A -16(4) 6_565 . . 6_565 ?
C26A C27A C54A C19A -175(3) . . . 6_565 ?
C22A C27A C54A C19A 161(3) 6_565 . . 6_565 ?
C28A C27A C54A C19A -31(3) . . . 6_565 ?
C25A C27A C54A C19A -118(3) 6_565 . . 6_565 ?
C26A C27A C54A C19A -170(3) 6_565 . . 6_565 ?
Sc3A C27A C54A C19A -112(3) 6_565 . . 6_565 ?
Sc3A C27A C54A C19A -126(3) . . . 6_565 ?
C24A C27A C54A C23A -88(3) 6_565 . . 6_565 ?
C26A C27A C54A C23A 113(2) . . . 6_565 ?
C22A C27A C54A C23A 89(2) 6_565 . . 6_565 ?
C28A C27A C54A C23A -102(2) . . . 6_565 ?
C25A C27A C54A C23A 171(3) 6_565 . . 6_565 ?
C26A C27A C54A C23A 118(2) 6_565 . . 6_565 ?
C19A C27A C54A C23A -72(3) 6_565 . . 6_565 ?
Sc3A C27A C54A C23A 176(2) 6_565 . . 6_565 ?
Sc3A C27A C54A C23A 163(2) . . . 6_565 ?
C23A C27A C54A C20A -126(3) 6_565 . . 6_565 ?
C24A C27A C54A C20A 146(2) 6_565 . . 6_565 ?
C26A C27A C54A C20A -12(3) . . . 6_565 ?
C22A C27A C54A C20A -36(2) 6_565 . . 6_565 ?
C28A C27A C54A C20A 132(2) . . . 6_565 ?
C25A C27A C54A C20A 45(3) 6_565 . . 6_565 ?
C26A C27A C54A C20A -8(2) 6_565 . . 6_565 ?
C19A C27A C54A C20A 163(5) 6_565 . . 6_565 ?
Sc3A C27A C54A C20A 50.9(19) 6_565 . . 6_565 ?
Sc3A C27A C54A C20A 37(2) . . . 6_565 ?
C23A C27A C54A C53A -120(2) 6_565 . . . ?
C24A C27A C54A C53A 152.4(16) 6_565 . . . ?
C26A C27A C54A C53A -6.4(15) . . . . ?
C22A C27A C54A C53A -30.3(11) 6_565 . . . ?
C28A C27A C54A C53A 137.9(10) . . . . ?
C25A C27A C54A C53A 51(2) 6_565 . . . ?
C26A C27A C54A C53A -1.6(14) 6_565 . . . ?
C19A C27A C54A C53A 169(4) 6_565 . . . ?
Sc3A C27A C54A C53A 56.8(9) 6_565 . . . ?
Sc3A C27A C54A C53A 42.9(9) . . . . ?
C23A C27A C54A C49A 97(2) 6_565 . . . ?
C24A C27A C54A C49A 8.9(19) 6_565 . . . ?
C26A C27A C54A C49A -149.9(10) . . . . ?
C22A C27A C54A C49A -173.8(10) 6_565 . . . ?
C28A C27A C54A C49A -5.6(11) . . . . ?
C25A C27A C54A C49A -92.5(17) 6_565 . . . ?
C26A C27A C54A C49A -145.1(8) 6_565 . . . ?
C19A C27A C54A C49A 25(3) 6_565 . . . ?
Sc3A C27A C54A C49A -86.7(8) 6_565 . . . ?
Sc3A C27A C54A C49A -100.6(8) . . . . ?
C23A C27A C54A C22A -89(2) 6_565 . . 6_565 ?
C24A C27A C54A C22A -177.3(19) 6_565 . . 6_565 ?
C26A C27A C54A C22A 23.9(8) . . . 6_565 ?
C28A C27A C54A C22A 168.2(10) . . . 6_565 ?
C25A C27A C54A C22A 81.3(17) 6_565 . . 6_565 ?
C26A C27A C54A C22A 28.7(6) 6_565 . . 6_565 ?
C19A C27A C54A C22A -161(3) 6_565 . . 6_565 ?
Sc3A C27A C54A C22A 87.1(6) 6_565 . . 6_565 ?
Sc3A C27A C54A C22A 73.2(5) . . . 6_565 ?
C23A C27A C54A C21A -109(2) 6_565 . . 6_565 ?
C24A C27A C54A C21A 163.2(16) 6_565 . . 6_565 ?
C26A C27A C54A C21A 4.4(11) . . . 6_565 ?
C22A C27A C54A C21A -19.5(6) 6_565 . . 6_565 ?
C28A C27A C54A C21A 148.8(8) . . . 6_565 ?
C25A C27A C54A C21A 61.8(18) 6_565 . . 6_565 ?
C26A C27A C54A C21A 9.2(9) 6_565 . . 6_565 ?
C19A C27A C54A C21A 180(3) 6_565 . . 6_565 ?
Sc3A C27A C54A C21A 67.6(6) 6_565 . . 6_565 ?
Sc3A C27A C54A C21A 53.7(5) . . . 6_565 ?
C23A C27A C54A C18A 101(2) 6_565 . . 6_565 ?
C24A C27A C54A C18A 13.4(19) 6_565 . . 6_565 ?
C26A C27A C54A C18A -145.4(10) . . . 6_565 ?
C22A C27A C54A C18A -169.3(10) 6_565 . . 6_565 ?
C28A C27A C54A C18A -1.1(12) . . . 6_565 ?
C25A C27A C54A C18A -88.0(18) 6_565 . . 6_565 ?
C26A C27A C54A C18A -140.6(9) 6_565 . . 6_565 ?
C19A C27A C54A C18A 30(3) 6_565 . . 6_565 ?
Sc3A C27A C54A C18A -82.2(9) 6_565 . . 6_565 ?
Sc3A C27A C54A C18A -96.1(8) . . . 6_565 ?
C23A C27A C54A Sc3A -176(2) 6_565 . . 6_565 ?
C24A C27A C54A Sc3A 95.6(16) 6_565 . . 6_565 ?
C26A C27A C54A Sc3A -63.2(9) . . . 6_565 ?
C22A C27A C54A Sc3A -87.1(6) 6_565 . . 6_565 ?
C28A C27A C54A Sc3A 81.1(7) . . . 6_565 ?
C25A C27A C54A Sc3A -5.9(15) 6_565 . . 6_565 ?
C26A C27A C54A Sc3A -58.4(7) 6_565 . . 6_565 ?
C19A C27A C54A Sc3A 112(3) 6_565 . . 6_565 ?
Sc3A C27A C54A Sc3A -13.93(13) . . . 6_565 ?
C23A C27A C54A Sc3A -163(2) 6_565 . . . ?
C24A C27A C54A Sc3A 109.5(16) 6_565 . . . ?
C26A C27A C54A Sc3A -49.3(8) . . . . ?
C22A C27A C54A Sc3A -73.2(5) 6_565 . . . ?
C28A C27A C54A Sc3A 95.0(7) . . . . ?
C25A C27A C54A Sc3A 8.1(15) 6_565 . . . ?
C26A C27A C54A Sc3A -44.5(6) 6_565 . . . ?
C19A C27A C54A Sc3A 126(3) 6_565 . . . ?
Sc3A C27A C54A Sc3A 13.93(13) 6_565 . . . ?
C16A C51A C55A C11A 9(3) 6_565 . . 6_565 ?
C15A C51A C55A C11A -152(2) 6_565 . . 6_565 ?
C52A C51A C55A C11A -150.9(19) . . . 6_565 ?
C50A C51A C55A C11A -5(2) . . . 6_565 ?
C17A C51A C55A C11A -4(2) 6_565 . . 6_565 ?
C20A C51A C55A C11A -134(2) 6_565 . . 6_565 ?
C15A C51A C55A C16A -161(5) 6_565 . . 6_565 ?
C52A C51A C55A C16A -160(4) . . . 6_565 ?
C50A C51A C55A C16A -14(3) . . . 6_565 ?
C17A C51A C55A C16A -13(3) 6_565 . . 6_565 ?
C11A C51A C55A C16A -9(3) 6_565 . . 6_565 ?
C20A C51A C55A C16A -143(5) 6_565 . . 6_565 ?
C16A C51A C55A C12A 116(4) 6_565 . . 6_565 ?
C15A C51A C55A C12A -46(3) 6_565 . . 6_565 ?
C52A C51A C55A C12A -44(3) . . . 6_565 ?
C50A C51A C55A C12A 102(2) . . . 6_565 ?
C17A C51A C55A C12A 103(2) 6_565 . . 6_565 ?
C11A C51A C55A C12A 107(3) 6_565 . . 6_565 ?
C20A C51A C55A C12A -27(3) 6_565 . . 6_565 ?
C16A C51A C55A C13A 157(4) 6_565 . . . ?
C15A C51A C55A C13A -4(2) 6_565 . . . ?
C52A C51A C55A C13A -2.9(15) . . . . ?
C50A C51A C55A C13A 143.0(13) . . . . ?
C17A C51A C55A C13A 144.3(13) 6_565 . . . ?
C11A C51A C55A C13A 148(2) 6_565 . . . ?
C20A C51A C55A C13A 14(2) 6_565 . . . ?
C16A C51A C55A C56A 13(4) 6_565 . . . ?
C15A C51A C55A C56A -148.6(19) 6_565 . . . ?
C52A C51A C55A C56A -147.2(13) . . . . ?
C50A C51A C55A C56A -1.3(19) . . . . ?
C17A C51A C55A C56A 0.0(17) 6_565 . . . ?
C11A C51A C55A C56A 3.6(13) 6_565 . . . ?
C20A C51A C55A C56A -130.3(17) 6_565 . . . ?
C16A C51A C55A C15A 161(5) 6_565 . . 6_565 ?
C52A C51A C55A C15A 1.4(18) . . . 6_565 ?
C50A C51A C55A C15A 147(3) . . . 6_565 ?
C17A C51A C55A C15A 149(3) 6_565 . . 6_565 ?
C11A C51A C55A C15A 152(2) 6_565 . . 6_565 ?
C20A C51A C55A C15A 18.3(13) 6_565 . . 6_565 ?
C16A C51A C55A C13A 152(4) 6_565 . . 6_565 ?
C15A C51A C55A C13A -10(2) 6_565 . . 6_565 ?
C52A C51A C55A C13A -8.2(14) . . . 6_565 ?
C50A C51A C55A C13A 137.8(12) . . . 6_565 ?
C17A C51A C55A C13A 139.1(11) 6_565 . . 6_565 ?
C11A C51A C55A C13A 143(2) 6_565 . . 6_565 ?
C20A C51A C55A C13A 9(2) 6_565 . . 6_565 ?
C13A C13A C55A C11A 36(4) 6_565 . . 6_565 ?
C12A C13A C55A C11A -21(2) 6_565 . . 6_565 ?
C14A C13A C55A C11A 138(2) . . . 6_565 ?
C12A C13A C55A C11A -6(3) . . . 6_565 ?
C55A C13A C55A C11A 36(4) 6_565 . . 6_565 ?
C13A C13A C55A C16A -88(2) 6_565 . . 6_565 ?
C12A C13A C55A C16A -145.5(19) 6_565 . . 6_565 ?
C14A C13A C55A C16A 14(2) . . . 6_565 ?
C12A C13A C55A C16A -130.7(15) . . . 6_565 ?
C55A C13A C55A C16A -88.1(19) 6_565 . . 6_565 ?
C11A C13A C55A C16A -124(4) 6_565 . . 6_565 ?
C13A C13A C55A C12A 57.5(18) 6_565 . . 6_565 ?
C14A C13A C55A C12A 159.2(11) . . . 6_565 ?
C12A C13A C55A C12A 14.8(7) . . . 6_565 ?
C55A C13A C55A C12A 57.5(17) 6_565 . . 6_565 ?
C11A C13A C55A C12A 21(2) 6_565 . . 6_565 ?
C13A C13A C55A C51A -98.9(17) 6_565 . . . ?
C12A C13A C55A C51A -156.3(12) 6_565 . . . ?
C14A C13A C55A C51A 2.9(13) . . . . ?
C12A C13A C55A C51A -141.5(10) . . . . ?
C55A C13A C55A C51A -98.8(16) 6_565 . . . ?
C11A C13A C55A C51A -135(3) 6_565 . . . ?
C13A C13A C55A C56A 46(2) 6_565 . . . ?
C12A C13A C55A C56A -11.7(11) 6_565 . . . ?
C14A C13A C55A C56A 147.5(11) . . . . ?
C12A C13A C55A C56A 3.1(16) . . . . ?
C55A C13A C55A C56A 46(2) 6_565 . . . ?
C11A C13A C55A C56A 9.5(19) 6_565 . . . ?
C13A C13A C55A C15A -100.9(16) 6_565 . . 6_565 ?
C12A C13A C55A C15A -158.3(10) 6_565 . . 6_565 ?
C14A C13A C55A C15A 0.9(10) . . . 6_565 ?
C12A C13A C55A C15A -143.5(10) . . . 6_565 ?
C55A C13A C55A C15A -100.9(16) 6_565 . . 6_565 ?
C11A C13A C55A C15A -137(3) 6_565 . . 6_565 ?
C12A C13A C55A C13A -57.5(18) 6_565 . . 6_565 ?
C14A C13A C55A C13A 102(2) . . . 6_565 ?
C12A C13A C55A C13A -42.7(13) . . . 6_565 ?
C55A C13A C55A C13A 0.03(7) 6_565 . . 6_565 ?
C11A C13A C55A C13A -36(4) 6_565 . . 6_565 ?
C8A C6A C56A C11A -124(3) 6_565 . . 6_565 ?
C7A C6A C56A C11A -5(3) 6_565 . . 6_565 ?
C5A C6A C56A C11A -151(2) . . . 6_565 ?
C7A C6A C56A C11A -9(3) . . . 6_565 ?
C9A C6A C56A C11A -143(3) 6_565 . . 6_565 ?
C12A C6A C56A C11A 5(2) 6_565 . . 6_565 ?
C10A C6A C56A C11A -147(4) 6_565 . . 6_565 ?
Sc1A C6A C56A C11A -83(2) . . . 6_565 ?
Sc1A C6A C56A C11A -72(2) 6_565 . . 6_565 ?
C8A C6A C56A C10A 23(3) 6_565 . . 6_565 ?
C7A C6A C56A C10A 143(2) 6_565 . . 6_565 ?
C5A C6A C56A C10A -4(2) . . . 6_565 ?
C7A C6A C56A C10A 138.6(19) . . . 6_565 ?
C9A C6A C56A C10A 4.3(18) 6_565 . . 6_565 ?
C12A C6A C56A C10A 153(2) 6_565 . . 6_565 ?
C11A C6A C56A C10A 147(4) 6_565 . . 6_565 ?
Sc1A C6A C56A C10A 64.7(19) . . . 6_565 ?
Sc1A C6A C56A C10A 75.5(19) 6_565 . . 6_565 ?
C8A C6A C56A C44A 21(2) 6_565 . . . ?
C7A C6A C56A C44A 140.4(13) 6_565 . . . ?
C5A C6A C56A C44A -6.2(16) . . . . ?
C7A C6A C56A C44A 136.4(12) . . . . ?
C9A C6A C56A C44A 2.1(11) 6_565 . . . ?
C12A C6A C56A C44A 150.5(14) 6_565 . . . ?
C10A C6A C56A C44A -2.2(18) 6_565 . . . ?
C11A C6A C56A C44A 145(3) 6_565 . . . ?
Sc1A C6A C56A C44A 62.4(11) . . . . ?
Sc1A C6A C56A C44A 73.3(11) 6_565 . . . ?
C8A C6A C56A C55A -130.0(17) 6_565 . . . ?
C7A C6A C56A C55A -10.4(17) 6_565 . . . ?
C5A C6A C56A C55A -157.0(11) . . . . ?
C7A C6A C56A C55A -14.5(16) . . . . ?
C9A C6A C56A C55A -148.8(13) 6_565 . . . ?
C12A C6A C56A C55A -0.4(9) 6_565 . . . ?
C10A C6A C56A C55A -153(3) 6_565 . . . ?
C11A C6A C56A C55A -5.7(19) 6_565 . . . ?
Sc1A C6A C56A C55A -88.4(11) . . . . ?
Sc1A C6A C56A C55A -77.6(11) 6_565 . . . ?
C8A C6A C56A C12A -129.5(17) 6_565 . . 6_565 ?
C7A C6A C56A C12A -10.0(10) 6_565 . . 6_565 ?
C5A C6A C56A C12A -156.6(10) . . . 6_565 ?
C7A C6A C56A C12A -14.1(10) . . . 6_565 ?
C9A C6A C56A C12A -148.3(8) 6_565 . . 6_565 ?
C10A C6A C56A C12A -153(2) 6_565 . . 6_565 ?
C11A C6A C56A C12A -5(2) 6_565 . . 6_565 ?
Sc1A C6A C56A C12A -88.0(6) . . . 6_565 ?
Sc1A C6A C56A C12A -77.2(5) 6_565 . . 6_565 ?
C8A C6A C56A C9A 18.8(15) 6_565 . . 6_565 ?
C7A C6A C56A C9A 138.3(12) 6_565 . . 6_565 ?
C5A C6A C56A C9A -8.3(8) . . . 6_565 ?
C7A C6A C56A C9A 134.3(11) . . . 6_565 ?
C12A C6A C56A C9A 148.3(8) 6_565 . . 6_565 ?
C10A C6A C56A C9A -4.3(18) 6_565 . . 6_565 ?
C11A C6A C56A C9A 143(3) 6_565 . . 6_565 ?
Sc1A C6A C56A C9A 60.3(5) . . . 6_565 ?
Sc1A C6A C56A C9A 71.2(5) 6_565 . . 6_565 ?
C8A C6A C56A Sc1A -41.5(15) 6_565 . . . ?
C7A C6A C56A Sc1A 78.0(10) 6_565 . . . ?
C5A C6A C56A Sc1A -68.6(8) . . . . ?
C7A C6A C56A Sc1A 73.9(9) . . . . ?
C9A C6A C56A Sc1A -60.3(5) 6_565 . . . ?
C12A C6A C56A Sc1A 88.0(6) 6_565 . . . ?
C10A C6A C56A Sc1A -64.7(19) 6_565 . . . ?
C11A C6A C56A Sc1A 83(2) 6_565 . . . ?
Sc1A C6A C56A Sc1A 10.83(10) 6_565 . . . ?
C10A C44A C56A C11A 173(16) 6_565 . . 6_565 ?
C70A C44A C56A C11A 20(3) 6_565 . . 6_565 ?
C43A C44A C56A C11A 148.3(17) . . . 6_565 ?
C45A C44A C56A C11A 8(2) . . . 6_565 ?
C9A C44A C56A C11A 152.4(18) 6_565 . . 6_565 ?
C17A C44A C56A C11A 4.2(18) 6_565 . . 6_565 ?
Sc1A C44A C56A C11A 103.5(17) . . . 6_565 ?
C70A C44A C56A C10A -153(17) 6_565 . . 6_565 ?
C43A C44A C56A C10A -25(15) . . . 6_565 ?
C45A C44A C56A C10A -165(16) . . . 6_565 ?
C9A C44A C56A C10A -21(15) 6_565 . . 6_565 ?
C11A C44A C56A C10A -173(16) 6_565 . . 6_565 ?
C17A C44A C56A C10A -169(16) 6_565 . . 6_565 ?
Sc1A C44A C56A C10A -70(15) . . . 6_565 ?
C10A C44A C56A C6A 19(15) 6_565 . . . ?
C70A C44A C56A C6A -135(2) 6_565 . . . ?
C43A C44A C56A C6A -6.1(18) . . . . ?
C45A C44A C56A C6A -146.7(12) . . . . ?
C9A C44A C56A C6A -2.0(10) 6_565 . . . ?
C11A C44A C56A C6A -154(2) 6_565 . . . ?
C17A C44A C56A C6A -150.2(11) 6_565 . . . ?
Sc1A C44A C56A C6A -51.0(10) . . . . ?
C10A C44A C56A C55A 170(16) 6_565 . . . ?
C70A C44A C56A C55A 16(3) 6_565 . . . ?
C43A C44A C56A C55A 145.0(12) . . . . ?
C45A C44A C56A C55A 4.5(19) . . . . ?
C9A C44A C56A C55A 149.1(13) 6_565 . . . ?
C11A C44A C56A C55A -3.3(12) 6_565 . . . ?
C17A C44A C56A C55A 1.0(15) 6_565 . . . ?
Sc1A C44A C56A C55A 100.2(12) . . . . ?
C10A C44A C56A C12A 114(16) 6_565 . . 6_565 ?
C70A C44A C56A C12A -39(3) 6_565 . . 6_565 ?
C43A C44A C56A C12A 89.4(19) . . . 6_565 ?
C45A C44A C56A C12A -51(2) . . . 6_565 ?
C9A C44A C56A C12A 93.5(19) 6_565 . . 6_565 ?
C11A C44A C56A C12A -58.9(16) 6_565 . . 6_565 ?
C17A C44A C56A C12A -55(2) 6_565 . . 6_565 ?
Sc1A C44A C56A C12A 44.6(17) . . . 6_565 ?
C10A C44A C56A C9A 21(15) 6_565 . . 6_565 ?
C70A C44A C56A C9A -133(2) 6_565 . . 6_565 ?
C43A C44A C56A C9A -4.1(10) . . . 6_565 ?
C45A C44A C56A C9A -144.7(14) . . . 6_565 ?
C11A C44A C56A C9A -152.4(18) 6_565 . . 6_565 ?
C17A C44A C56A C9A -148.2(10) 6_565 . . 6_565 ?
Sc1A C44A C56A C9A -49.0(5) . . . 6_565 ?
C10A C44A C56A Sc1A 70(15) 6_565 . . . ?
C70A C44A C56A Sc1A -84(2) 6_565 . . . ?
C43A C44A C56A Sc1A 44.9(11) . . . . ?
C45A C44A C56A Sc1A -95.7(12) . . . . ?
C9A C44A C56A Sc1A 49.0(5) 6_565 . . . ?
C11A C44A C56A Sc1A -103.5(17) 6_565 . . . ?
C17A C44A C56A Sc1A -99.2(8) 6_565 . . . ?
C16A C55A C56A C11A -8(4) 6_565 . . 6_565 ?
C12A C55A C56A C11A -163(5) 6_565 . . 6_565 ?
C51A C55A C56A C11A -13(5) . . . 6_565 ?
C13A C55A C56A C11A -153(5) . . . 6_565 ?
C15A C55A C56A C11A -36(5) 6_565 . . 6_565 ?
C13A C55A C56A C11A -149(5) 6_565 . . 6_565 ?
C11A C55A C56A C10A 14(5) 6_565 . . 6_565 ?
C16A C55A C56A C10A 5(3) 6_565 . . 6_565 ?
C12A C55A C56A C10A -149(3) 6_565 . . 6_565 ?
C51A C55A C56A C10A 1(3) . . . 6_565 ?
C13A C55A C56A C10A -139(2) . . . 6_565 ?
C15A C55A C56A C10A -22(3) 6_565 . . 6_565 ?
C13A C55A C56A C10A -135(2) 6_565 . . 6_565 ?
C11A C55A C56A C6A 164(5) 6_565 . . . ?
C16A C55A C56A C6A 155.1(14) 6_565 . . . ?
C12A C55A C56A C6A 0.5(11) 6_565 . . . ?
C51A C55A C56A C6A 150.3(12) . . . . ?
C13A C55A C56A C6A 10.4(18) . . . . ?
C15A C55A C56A C6A 127.3(14) 6_565 . . . ?
C13A C55A C56A C6A 14.5(16) 6_565 . . . ?
C11A C55A C56A C44A 12(5) 6_565 . . . ?
C16A C55A C56A C44A 4.0(18) 6_565 . . . ?
C12A C55A C56A C44A -150.6(14) 6_565 . . . ?
C51A C55A C56A C44A -0.8(18) . . . . ?
C13A C55A C56A C44A -140.7(12) . . . . ?
C15A C55A C56A C44A -24(2) 6_565 . . . ?
C13A C55A C56A C44A -136.6(11) 6_565 . . . ?
C11A C55A C56A C12A 163(5) 6_565 . . 6_565 ?
C16A C55A C56A C12A 154.6(16) 6_565 . . 6_565 ?
C51A C55A C56A C12A 149.8(14) . . . 6_565 ?
C13A C55A C56A C12A 9.9(9) . . . 6_565 ?
C15A C55A C56A C12A 126.8(18) 6_565 . . 6_565 ?
C13A C55A C56A C12A 14.0(7) 6_565 . . 6_565 ?
C11A C55A C56A C9A 93(5) 6_565 . . 6_565 ?
C16A C55A C56A C9A 84.1(19) 6_565 . . 6_565 ?
C12A C55A C56A C9A -70.5(17) 6_565 . . 6_565 ?
C51A C55A C56A C9A 79.3(19) . . . 6_565 ?
C13A C55A C56A C9A -61(2) . . . 6_565 ?
C15A C55A C56A C9A 56(2) 6_565 . . 6_565 ?
C13A C55A C56A C9A -56.5(19) 6_565 . . 6_565 ?
C11A C55A C56A Sc1A 101(5) 6_565 . . . ?
C16A C55A C56A Sc1A 92.3(12) 6_565 . . . ?
C12A C55A C56A Sc1A -62.3(7) 6_565 . . . ?
C51A C55A C56A Sc1A 87.5(11) . . . . ?
C13A C55A C56A Sc1A -52.4(12) . . . . ?
C15A C55A C56A Sc1A 64.5(15) 6_565 . . . ?
C13A C55A C56A Sc1A -48.3(9) 6_565 . . . ?
C57A C2A C57A C3A 174(4) 6_565 . . 6_565 ?
C1A C2A C57A C3A 32(5) . . . 6_565 ?
C3A C2A C57A C3A 172(5) . . . 6_565 ?
Sc1A C2A C57A C3A 101(4) . . . 6_565 ?
Sc1A C2A C57A C3A 91(4) 6_565 . . 6_565 ?
C57A C2A C57A C40A 4(2) 6_565 . . 6_565 ?
C1A C2A C57A C40A -137.7(17) . . . 6_565 ?
C3A C2A C57A C40A -170(6) 6_565 . . 6_565 ?
C3A C2A C57A C40A 2.8(19) . . . 6_565 ?
Sc1A C2A C57A C40A -68.7(19) . . . 6_565 ?
Sc1A C2A C57A C40A -79.0(19) 6_565 . . 6_565 ?
C57A C2A C57A C58A 133.4(7) 6_565 . . . ?
C1A C2A C57A C58A -8.6(13) . . . . ?
C3A C2A C57A C58A -40(4) 6_565 . . . ?
C3A C2A C57A C58A 131.9(12) . . . . ?
Sc1A C2A C57A C58A 60.4(9) . . . . ?
Sc1A C2A C57A C58A 50.1(8) 6_565 . . . ?
C57A C2A C57A C61A -9.0(15) 6_565 . . . ?
C1A C2A C57A C61A -151.0(9) . . . . ?
C3A C2A C57A C61A 177(5) 6_565 . . . ?
C3A C2A C57A C61A -10.4(12) . . . . ?
Sc1A C2A C57A C61A -82.0(10) . . . . ?
Sc1A C2A C57A C61A -92.2(10) 6_565 . . . ?
C57A C2A C57A C4A 148.4(6) 6_565 . . 6_565 ?
C1A C2A C57A C4A 6.4(10) . . . 6_565 ?
C3A C2A C57A C4A -25(4) 6_565 . . 6_565 ?
C3A C2A C57A C4A 146.9(10) . . . 6_565 ?
Sc1A C2A C57A C4A 75.4(6) . . . 6_565 ?
Sc1A C2A C57A C4A 65.2(6) 6_565 . . 6_565 ?
C57A C2A C57A Sc1A 83.3(7) 6_565 . . 6_565 ?
C1A C2A C57A Sc1A -58.7(6) . . . 6_565 ?
C3A C2A C57A Sc1A -91(4) 6_565 . . 6_565 ?
C3A C2A C57A Sc1A 81.8(8) . . . 6_565 ?
Sc1A C2A C57A Sc1A 10.28(12) . . . 6_565 ?
C57A C2A C57A Sc1A 73.0(7) 6_565 . . . ?
C1A C2A C57A Sc1A -69.0(6) . . . . ?
C3A C2A C57A Sc1A -101(4) 6_565 . . . ?
C3A C2A C57A Sc1A 71.5(7) . . . . ?
Sc1A C2A C57A Sc1A -10.28(12) 6_565 . . . ?
C3A C57A C58A C4A -37(5) 6_565 . . 6_565 ?
C40A C57A C58A C4A -174.1(16) 6_565 . . 6_565 ?
C2A C57A C58A C4A 34.6(16) . . . 6_565 ?
C61A C57A C58A C4A -179.1(14) . . . 6_565 ?
Sc1A C57A C58A C4A 86.7(13) 6_565 . . 6_565 ?
Sc1A C57A C58A C4A 84.7(13) . . . 6_565 ?
C40A C57A C58A C3A -137(6) 6_565 . . 6_565 ?
C2A C57A C58A C3A 71(5) . . . 6_565 ?
C61A C57A C58A C3A -142(6) . . . 6_565 ?
C4A C57A C58A C3A 37(5) 6_565 . . 6_565 ?
Sc1A C57A C58A C3A 123(5) 6_565 . . 6_565 ?
Sc1A C57A C58A C3A 121(5) . . . 6_565 ?
C3A C57A C58A C43A -148(8) 6_565 . . 6_565 ?
C40A C57A C58A C43A 75(5) 6_565 . . 6_565 ?
C2A C57A C58A C43A -76(5) . . . 6_565 ?
C61A C57A C58A C43A 70(5) . . . 6_565 ?
C4A C57A C58A C43A -111(6) 6_565 . . 6_565 ?
Sc1A C57A C58A C43A -24(5) 6_565 . . 6_565 ?
Sc1A C57A C58A C43A -26(5) . . . 6_565 ?
C3A C57A C58A C59A 137(5) 6_565 . . . ?
C40A C57A C58A C59A -0.5(12) 6_565 . . . ?
C2A C57A C58A C59A -151.8(10) . . . . ?
C61A C57A C58A C59A -5.5(12) . . . . ?
C4A C57A C58A C59A 173.6(18) 6_565 . . . ?
Sc1A C57A C58A C59A -99.7(8) 6_565 . . . ?
Sc1A C57A C58A C59A -101.6(8) . . . . ?
C3A C57A C58A C9A -76(5) 6_565 . . . ?
C40A C57A C58A C9A 146.4(11) 6_565 . . . ?
C2A C57A C58A C9A -5.0(14) . . . . ?
C61A C57A C58A C9A 141.4(10) . . . . ?
C4A C57A C58A C9A -39.5(11) 6_565 . . . ?
Sc1A C57A C58A C9A 47.2(8) 6_565 . . . ?
Sc1A C57A C58A C9A 45.2(8) . . . . ?
C3A C57A C58A C42A 143(5) 6_565 . . 6_565 ?
C40A C57A C58A C42A 5.2(15) 6_565 . . 6_565 ?
C2A C57A C58A C42A -146.2(10) . . . 6_565 ?
C61A C57A C58A C42A 0.2(14) . . . 6_565 ?
C4A C57A C58A C42A 179(2) 6_565 . . 6_565 ?
Sc1A C57A C58A C42A -94.0(10) 6_565 . . 6_565 ?
Sc1A C57A C58A C42A -96.0(10) . . . 6_565 ?
C3A C57A C58A C40A 137(6) 6_565 . . 6_565 ?
C2A C57A C58A C40A -151.4(16) . . . 6_565 ?
C61A C57A C58A C40A -5.0(11) . . . 6_565 ?
C4A C57A C58A C40A 174.1(16) 6_565 . . 6_565 ?
Sc1A C57A C58A C40A -99.2(10) 6_565 . . 6_565 ?
Sc1A C57A C58A C40A -101.2(10) . . . 6_565 ?
C3A C57A C58A Sc1A -123(5) 6_565 . . 6_565 ?
C40A C57A C58A Sc1A 99.2(10) 6_565 . . 6_565 ?
C2A C57A C58A Sc1A -52.1(9) . . . 6_565 ?
C61A C57A C58A Sc1A 94.2(8) . . . 6_565 ?
C4A C57A C58A Sc1A -86.7(13) 6_565 . . 6_565 ?
Sc1A C57A C58A Sc1A -1.96(11) . . . 6_565 ?
C5A C9A C58A C4A -33.6(14) 6_565 . . 6_565 ?
C43A C9A C58A C4A 127.7(17) 6_565 . . 6_565 ?
C8A C9A C58A C4A -59.9(17) . . . 6_565 ?
C10A C9A C58A C4A 150.5(18) . . . 6_565 ?
C6A C9A C58A C4A -80(2) 6_565 . . 6_565 ?
C44A C9A C58A C4A 144.8(17) 6_565 . . 6_565 ?
C56A C9A C58A C4A 174(2) 6_565 . . 6_565 ?
Sc1A C9A C58A C4A -117.9(16) 6_565 . . 6_565 ?
Sc1A C9A C58A C4A -109.9(16) . . . 6_565 ?
C4A C9A C58A C3A 54.1(16) 6_565 . . 6_565 ?
C5A C9A C58A C3A 20.4(13) 6_565 . . 6_565 ?
C43A C9A C58A C3A -178.2(14) 6_565 . . 6_565 ?
C8A C9A C58A C3A -5.8(15) . . . 6_565 ?
C10A C9A C58A C3A -155.4(12) . . . 6_565 ?
C6A C9A C58A C3A -26(2) 6_565 . . 6_565 ?
C44A C9A C58A C3A -161.2(11) 6_565 . . 6_565 ?
C56A C9A C58A C3A -131.6(15) 6_565 . . 6_565 ?
Sc1A C9A C58A C3A -63.9(11) 6_565 . . 6_565 ?
Sc1A C9A C58A C3A -55.8(11) . . . 6_565 ?
C4A C9A C58A C43A -127.7(17) 6_565 . . 6_565 ?
C5A C9A C58A C43A -161.3(10) 6_565 . . 6_565 ?
C8A C9A C58A C43A 172.4(11) . . . 6_565 ?
C10A C9A C58A C43A 22.8(11) . . . 6_565 ?
C6A C9A C58A C43A 152.3(19) 6_565 . . 6_565 ?
C44A C9A C58A C43A 17.1(8) 6_565 . . 6_565 ?
C56A C9A C58A C43A 46.6(15) 6_565 . . 6_565 ?
Sc1A C9A C58A C43A 114.4(7) 6_565 . . 6_565 ?
Sc1A C9A C58A C43A 122.4(7) . . . 6_565 ?
C4A C9A C58A C59A -154.3(19) 6_565 . . . ?
C5A C9A C58A C59A 172.0(10) 6_565 . . . ?
C43A C9A C58A C59A -26.6(10) 6_565 . . . ?
C8A C9A C58A C59A 145.8(9) . . . . ?
C10A C9A C58A C59A -3.8(14) . . . . ?
C6A C9A C58A C59A 125.7(16) 6_565 . . . ?
C44A C9A C58A C59A -9.5(12) 6_565 . . . ?
C56A C9A C58A C59A 20.0(18) 6_565 . . . ?
Sc1A C9A C58A C59A 87.8(9) 6_565 . . . ?
Sc1A C9A C58A C59A 95.8(9) . . . . ?
C4A C9A C58A C57A 64.5(17) 6_565 . . . ?
C5A C9A C58A C57A 30.9(12) 6_565 . . . ?
C43A C9A C58A C57A -167.7(12) 6_565 . . . ?
C8A C9A C58A C57A 4.7(13) . . . . ?
C10A C9A C58A C57A -145.0(10) . . . . ?
C6A C9A C58A C57A -15(2) 6_565 . . . ?
C44A C9A C58A C57A -150.7(9) 6_565 . . . ?
C56A C9A C58A C57A -121.1(14) 6_565 . . . ?
Sc1A C9A C58A C57A -53.4(8) 6_565 . . . ?
Sc1A C9A C58A C57A -45.3(8) . . . . ?
C4A C9A C58A C42A -145.9(17) 6_565 . . 6_565 ?
C5A C9A C58A C42A -179.5(8) 6_565 . . 6_565 ?
C43A C9A C58A C42A -18.2(7) 6_565 . . 6_565 ?
C8A C9A C58A C42A 154.2(9) . . . 6_565 ?
C10A C9A C58A C42A 4.6(12) . . . 6_565 ?
C6A C9A C58A C42A 134.1(16) 6_565 . . 6_565 ?
C44A C9A C58A C42A -1.1(9) 6_565 . . 6_565 ?
C56A C9A C58A C42A 28.4(16) 6_565 . . 6_565 ?
Sc1A C9A C58A C42A 96.2(7) 6_565 . . 6_565 ?
Sc1A C9A C58A C42A 104.2(6) . . . 6_565 ?
C4A C9A C58A C40A 112(2) 6_565 . . 6_565 ?
C5A C9A C58A C40A 78.1(18) 6_565 . . 6_565 ?
C43A C9A C58A C40A -120.5(18) 6_565 . . 6_565 ?
C8A C9A C58A C40A 52(2) . . . 6_565 ?
C10A C9A C58A C40A -97.8(17) . . . 6_565 ?
C6A C9A C58A C40A 32(3) 6_565 . . 6_565 ?
C44A C9A C58A C40A -103.5(16) 6_565 . . 6_565 ?
C56A C9A C58A C40A -74(2) 6_565 . . 6_565 ?
Sc1A C9A C58A C40A -6.2(16) 6_565 . . 6_565 ?
Sc1A C9A C58A C40A 1.9(16) . . . 6_565 ?
C4A C9A C58A Sc1A 117.9(16) 6_565 . . 6_565 ?
C5A C9A C58A Sc1A 84.3(7) 6_565 . . 6_565 ?
C43A C9A C58A Sc1A -114.4(7) 6_565 . . 6_565 ?
C8A C9A C58A Sc1A 58.0(7) . . . 6_565 ?
C10A C9A C58A Sc1A -91.6(9) . . . 6_565 ?
C6A C9A C58A Sc1A 38.0(16) 6_565 . . 6_565 ?
C44A C9A C58A Sc1A -97.3(7) 6_565 . . 6_565 ?
C56A C9A C58A Sc1A -67.7(13) 6_565 . . 6_565 ?
Sc1A C9A C58A Sc1A 8.04(8) . . . 6_565 ?
C4A C58A C59A C42A -29(5) 6_565 . . 6_565 ?
C3A C58A C59A C42A 175(2) 6_565 . . 6_565 ?
C43A C58A C59A C42A -1(2) 6_565 . . 6_565 ?
C57A C58A C59A C42A 168(2) . . . 6_565 ?
C9A C58A C59A C42A 23(2) . . . 6_565 ?
C40A C58A C59A C42A 167(2) 6_565 . . 6_565 ?
Sc1A C58A C59A C42A 88(2) 6_565 . . 6_565 ?
C4A C58A C59A C41A 165(4) 6_565 . . 6_565 ?
C3A C58A C59A C41A 9(3) 6_565 . . 6_565 ?
C43A C58A C59A C41A -167(2) 6_565 . . 6_565 ?
C57A C58A C59A C41A 1(2) . . . 6_565 ?
C9A C58A C59A C41A -143(2) . . . 6_565 ?
C42A C58A C59A C41A -166(4) 6_565 . . 6_565 ?
C40A C58A C59A C41A 1(2) 6_565 . . 6_565 ?
Sc1A C58A C59A C41A -78(2) 6_565 . . 6_565 ?
C4A C58A C59A C60A 166(4) 6_565 . . . ?
C3A C58A C59A C60A 10.1(16) 6_565 . . . ?
C43A C58A C59A C60A -165.8(11) 6_565 . . . ?
C57A C58A C59A C60A 2.9(12) . . . . ?
C9A C58A C59A C60A -141.9(9) . . . . ?
C42A C58A C59A C60A -165(3) 6_565 . . . ?
C40A C58A C59A C60A 2.5(9) 6_565 . . . ?
Sc1A C58A C59A C60A -76.4(10) 6_565 . . . ?
C4A C58A C59A C69A -50(4) 6_565 . . . ?
C3A C58A C59A C69A 153.9(12) 6_565 . . . ?
C43A C58A C59A C69A -22.0(11) 6_565 . . . ?
C57A C58A C59A C69A 146.7(10) . . . . ?
C9A C58A C59A C69A 1.9(14) . . . . ?
C42A C58A C59A C69A -21(2) 6_565 . . . ?
C40A C58A C59A C69A 146.3(11) 6_565 . . . ?
Sc1A C58A C59A C69A 67.4(10) 6_565 . . . ?
C4A C58A C59A C43A -28(4) 6_565 . . 6_565 ?
C3A C58A C59A C43A 175.9(15) 6_565 . . 6_565 ?
C57A C58A C59A C43A 168.7(11) . . . 6_565 ?
C9A C58A C59A C43A 23.9(9) . . . 6_565 ?
C42A C58A C59A C43A 1(2) 6_565 . . 6_565 ?
C40A C58A C59A C43A 168.3(10) 6_565 . . 6_565 ?
Sc1A C58A C59A C43A 89.4(8) 6_565 . . 6_565 ?
C4A C58A C59A C40A 164(4) 6_565 . . 6_565 ?
C3A C58A C59A C40A 7.6(11) 6_565 . . 6_565 ?
C43A C58A C59A C40A -168.3(10) 6_565 . . 6_565 ?
C57A C58A C59A C40A 0.4(10) . . . 6_565 ?
C9A C58A C59A C40A -144.4(10) . . . 6_565 ?
C42A C58A C59A C40A -167(2) 6_565 . . 6_565 ?
Sc1A C58A C59A C40A -78.9(7) 6_565 . . 6_565 ?
C42A C59A C60A C41A 23(5) 6_565 . . 6_565 ?
C58A C59A C60A C41A -176(5) . . . 6_565 ?
C69A C59A C60A C41A 41(5) . . . 6_565 ?
C43A C59A C60A C41A 158(6) 6_565 . . 6_565 ?
C40A C59A C60A C41A -172(5) 6_565 . . 6_565 ?
C42A C59A C60A C40A -164(3) 6_565 . . 6_565 ?
C41A C59A C60A C40A 172(5) 6_565 . . 6_565 ?
C58A C59A C60A C40A -3.8(14) . . . 6_565 ?
C69A C59A C60A C40A -147.0(13) . . . 6_565 ?
C43A C59A C60A C40A -30(3) 6_565 . . 6_565 ?
C42A C59A C60A C63A -16(3) 6_565 . . . ?
C41A C59A C60A C63A -39(4) 6_565 . . . ?
C58A C59A C60A C63A 145.0(10) . . . . ?
C69A C59A C60A C63A 1.8(15) . . . . ?
C43A C59A C60A C63A 119(2) 6_565 . . . ?
C40A C59A C60A C63A 148.8(16) 6_565 . . . ?
C42A C59A C60A C36A 2(3) 6_565 . . 6_565 ?
C41A C59A C60A C36A -21(4) 6_565 . . 6_565 ?
C58A C59A C60A C36A 162.9(10) . . . 6_565 ?
C69A C59A C60A C36A 19.7(14) . . . 6_565 ?
C43A C59A C60A C36A 136(3) 6_565 . . 6_565 ?
C40A C59A C60A C36A 166.7(16) 6_565 . . 6_565 ?
C42A C59A C60A C61A -160(3) 6_565 . . . ?
C41A C59A C60A C61A 177(5) 6_565 . . . ?
C58A C59A C60A C61A 0.8(13) . . . . ?
C69A C59A C60A C61A -142.4(11) . . . . ?
C43A C59A C60A C61A -26(3) 6_565 . . . ?
C40A C59A C60A C61A 4.6(13) 6_565 . . . ?
C42A C59A C60A C39A -141(3) 6_565 . . 6_565 ?
C41A C59A C60A C39A -164(5) 6_565 . . 6_565 ?
C58A C59A C60A C39A 20.0(15) . . . 6_565 ?
C69A C59A C60A C39A -123.2(11) . . . 6_565 ?
C43A C59A C60A C39A -7(3) 6_565 . . 6_565 ?
C40A C59A C60A C39A 23.7(10) 6_565 . . 6_565 ?
C42A C59A C60A Sc2A -64(3) 6_565 . . 6_565 ?
C41A C59A C60A Sc2A -87(5) 6_565 . . 6_565 ?
C58A C59A C60A Sc2A 97.0(9) . . . 6_565 ?
C69A C59A C60A Sc2A -46.2(11) . . . 6_565 ?
C43A C59A C60A Sc2A 71(3) 6_565 . . 6_565 ?
C40A C59A C60A Sc2A 100.8(11) 6_565 . . 6_565 ?
C39A C39A C61A C40A 80(3) 6_565 . . 6_565 ?
C61A C39A C61A C40A -100(3) 6_565 . . 6_565 ?
C40A C39A C61A C40A -88(4) . . . 6_565 ?
C38A C39A C61A C40A 69(4) . . . 6_565 ?
C38A C39A C61A C40A 71(4) 6_565 . . 6_565 ?
C60A C39A C61A C40A -59(4) 6_565 . . 6_565 ?
Sc2A C39A C61A C40A 7(4) . . . 6_565 ?
Sc2A C39A C61A C40A 18(4) 6_565 . . 6_565 ?
C61A C39A C61A C39A 180.00(2) 6_565 . . 6_565 ?
C40A C39A C61A C39A -167.7(15) . . . 6_565 ?
C38A C39A C61A C39A -11(2) . . . 6_565 ?
C38A C39A C61A C39A -9.4(19) 6_565 . . 6_565 ?
C60A C39A C61A C39A -139.0(11) 6_565 . . 6_565 ?
C40A C39A C61A C39A -80(3) 6_565 . . 6_565 ?
Sc2A C39A C61A C39A -72.8(18) . . . 6_565 ?
Sc2A C39A C61A C39A -62.3(16) 6_565 . . 6_565 ?
C39A C39A C61A C60A 30.7(10) 6_565 . . . ?
C61A C39A C61A C60A -149.3(10) 6_565 . . . ?
C40A C39A C61A C60A -137.1(12) . . . . ?
C38A C39A C61A C60A 19.2(16) . . . . ?
C38A C39A C61A C60A 21.3(13) 6_565 . . . ?
C60A C39A C61A C60A -108.3(15) 6_565 . . . ?
C40A C39A C61A C60A -49(3) 6_565 . . . ?
Sc2A C39A C61A C60A -42.1(12) . . . . ?
Sc2A C39A C61A C60A -31.7(10) 6_565 . . . ?
C39A C39A C61A C57A 168(2) 6_565 . . . ?
C61A C39A C61A C57A -12(2) 6_565 . . . ?
C40A C39A C61A C57A 0.2(15) . . . . ?
C38A C39A C61A C57A 156.5(9) . . . . ?
C38A C39A C61A C57A 158.5(10) 6_565 . . . ?
C60A C39A C61A C57A 29(2) 6_565 . . . ?
C40A C39A C61A C57A 88(4) 6_565 . . . ?
Sc2A C39A C61A C57A 95.1(9) . . . . ?
Sc2A C39A C61A C57A 105.6(10) 6_565 . . . ?
C39A C39A C61A C3A 167(3) 6_565 . . 6_565 ?
C61A C39A C61A C3A -13(3) 6_565 . . 6_565 ?
C40A C39A C61A C3A -0.8(16) . . . 6_565 ?
C38A C39A C61A C3A 155.5(11) . . . 6_565 ?
C38A C39A C61A C3A 157.6(12) 6_565 . . 6_565 ?
C60A C39A C61A C3A 28(2) 6_565 . . 6_565 ?
C40A C39A C61A C3A 87(4) 6_565 . . 6_565 ?
Sc2A C39A C61A C3A 94.1(12) . . . 6_565 ?
Sc2A C39A C61A C3A 104.6(13) 6_565 . . 6_565 ?
C39A C39A C61A C41A 42.8(10) 6_565 . . 6_565 ?
C61A C39A C61A C41A -137.2(10) 6_565 . . 6_565 ?
C40A C39A C61A C41A -125.0(14) . . . 6_565 ?
C38A C39A C61A C41A 31.4(18) . . . 6_565 ?
C38A C39A C61A C41A 33.4(14) 6_565 . . 6_565 ?
C60A C39A C61A C41A -96.2(14) 6_565 . . 6_565 ?
C40A C39A C61A C41A -37(3) 6_565 . . 6_565 ?
Sc2A C39A C61A C41A -30.0(14) . . . 6_565 ?
Sc2A C39A C61A C41A -19.6(12) 6_565 . . 6_565 ?
C39A C39A C61A C61A 180.00(2) 6_565 . . 6_565 ?
C40A C39A C61A C61A 12.3(14) . . . 6_565 ?
C38A C39A C61A C61A 169(2) . . . 6_565 ?
C38A C39A C61A C61A 170.6(19) 6_565 . . 6_565 ?
C60A C39A C61A C61A 41.0(11) 6_565 . . 6_565 ?
C40A C39A C61A C61A 100(3) 6_565 . . 6_565 ?
Sc2A C39A C61A C61A 107.2(18) . . . 6_565 ?
Sc2A C39A C61A C61A 117.7(16) 6_565 . . 6_565 ?
C41A C60A C61A C40A -11(4) 6_565 . . 6_565 ?
C63A C60A C61A C40A -157(4) . . . 6_565 ?
C36A C60A C61A C40A -161(4) 6_565 . . 6_565 ?
C59A C60A C61A C40A -13(3) . . . 6_565 ?
C39A C60A C61A C40A -158(4) 6_565 . . 6_565 ?
Sc2A C60A C61A C40A -115(3) 6_565 . . 6_565 ?
C41A C60A C61A C39A 148(3) 6_565 . . 6_565 ?
C40A C60A C61A C39A 158(4) 6_565 . . 6_565 ?
C63A C60A C61A C39A 1.5(18) . . . 6_565 ?
C36A C60A C61A C39A -2(3) 6_565 . . 6_565 ?
C59A C60A C61A C39A 145.8(14) . . . 6_565 ?
Sc2A C60A C61A C39A 43.6(13) 6_565 . . 6_565 ?
C41A C60A C61A C39A 139(3) 6_565 . . . ?
C40A C60A C61A C39A 150(4) 6_565 . . . ?
C63A C60A C61A C39A -6.7(17) . . . . ?
C36A C60A C61A C39A -10(3) 6_565 . . . ?
C59A C60A C61A C39A 137.6(12) . . . . ?
C39A C60A C61A C39A -8.2(4) 6_565 . . . ?
Sc2A C60A C61A C39A 35.4(11) 6_565 . . . ?
C41A C60A C61A C57A -2(3) 6_565 . . . ?
C40A C60A C61A C57A 8(3) 6_565 . . . ?
C63A C60A C61A C57A -148.4(12) . . . . ?
C36A C60A C61A C57A -152.1(18) 6_565 . . . ?
C59A C60A C61A C57A -4.1(12) . . . . ?
C39A C60A C61A C57A -149.9(19) 6_565 . . . ?
Sc2A C60A C61A C57A -106.4(8) 6_565 . . . ?
C41A C60A C61A C3A -6(3) 6_565 . . 6_565 ?
C40A C60A C61A C3A 5(3) 6_565 . . 6_565 ?
C63A C60A C61A C3A -152.2(12) . . . 6_565 ?
C36A C60A C61A C3A -155.9(18) 6_565 . . 6_565 ?
C59A C60A C61A C3A -7.9(12) . . . 6_565 ?
C39A C60A C61A C3A -153.7(19) 6_565 . . 6_565 ?
Sc2A C60A C61A C3A -110.1(9) 6_565 . . 6_565 ?
C40A C60A C61A C41A 11(4) 6_565 . . 6_565 ?
C63A C60A C61A C41A -146(4) . . . 6_565 ?
C36A C60A C61A C41A -150(5) 6_565 . . 6_565 ?
C59A C60A C61A C41A -2(3) . . . 6_565 ?
C39A C60A C61A C41A -148(3) 6_565 . . 6_565 ?
Sc2A C60A C61A C41A -104(3) 6_565 . . 6_565 ?
C41A C60A C61A C61A 119(3) 6_565 . . 6_565 ?
C40A C60A C61A C61A 130(4) 6_565 . . 6_565 ?
C63A C60A C61A C61A -27.0(16) . . . 6_565 ?
C36A C60A C61A C61A -31(2) 6_565 . . 6_565 ?
C59A C60A C61A C61A 117.3(8) . . . 6_565 ?
C39A C60A C61A C61A -28.4(10) 6_565 . . 6_565 ?
Sc2A C60A C61A C61A 15.1(8) 6_565 . . 6_565 ?
C3A C57A C61A C40A -25(7) 6_565 . . 6_565 ?
C2A C57A C61A C40A 159(3) . . . 6_565 ?
C58A C57A C61A C40A 13(3) . . . 6_565 ?
C4A C57A C61A C40A 12(3) 6_565 . . 6_565 ?
Sc1A C57A C61A C40A 83(3) 6_565 . . 6_565 ?
Sc1A C57A C61A C40A 98(3) . . . 6_565 ?
C3A C57A C61A C39A -169(7) 6_565 . . 6_565 ?
C40A C57A C61A C39A -144(4) 6_565 . . 6_565 ?
C2A C57A C61A C39A 15(2) . . . 6_565 ?
C58A C57A C61A C39A -131.6(19) . . . 6_565 ?
C4A C57A C61A C39A -132.2(19) 6_565 . . 6_565 ?
Sc1A C57A C61A C39A -61(2) 6_565 . . 6_565 ?
Sc1A C57A C61A C39A -46(2) . . . 6_565 ?
C3A C57A C61A C39A -174(7) 6_565 . . . ?
C40A C57A C61A C39A -149(4) 6_565 . . . ?
C2A C57A C61A C39A 10.4(16) . . . . ?
C58A C57A C61A C39A -136.2(11) . . . . ?
C4A C57A C61A C39A -136.7(12) 6_565 . . . ?
Sc1A C57A C61A C39A -65.7(11) 6_565 . . . ?
Sc1A C57A C61A C39A -50.8(11) . . . . ?
C3A C57A C61A C60A -32(7) 6_565 . . . ?
C40A C57A C61A C60A -7(2) 6_565 . . . ?
C2A C57A C61A C60A 152.5(10) . . . . ?
C58A C57A C61A C60A 6.0(12) . . . . ?
C4A C57A C61A C60A 5.4(17) 6_565 . . . ?
Sc1A C57A C61A C60A 76.4(9) 6_565 . . . ?
Sc1A C57A C61A C60A 91.3(8) . . . . ?
C40A C57A C61A C3A 25(7) 6_565 . . 6_565 ?
C2A C57A C61A C3A -176(7) . . . 6_565 ?
C58A C57A C61A C3A 38(6) . . . 6_565 ?
C4A C57A C61A C3A 37(6) 6_565 . . 6_565 ?
Sc1A C57A C61A C3A 108(7) 6_565 . . 6_565 ?
Sc1A C57A C61A C3A 123(7) . . . 6_565 ?
C3A C57A C61A C41A -32(7) 6_565 . . 6_565 ?
C40A C57A C61A C41A -7(2) 6_565 . . 6_565 ?
C2A C57A C61A C41A 152.0(10) . . . 6_565 ?
C58A C57A C61A C41A 5.4(11) . . . 6_565 ?
C4A C57A C61A C41A 4.9(15) 6_565 . . 6_565 ?
Sc1A C57A C61A C41A 75.9(8) 6_565 . . 6_565 ?
Sc1A C57A C61A C41A 90.8(7) . . . 6_565 ?
C3A C57A C61A C61A -179(100) 6_565 . . 6_565 ?
C40A C57A C61A C61A -154(3) 6_565 . . 6_565 ?
C2A C57A C61A C61A 5.2(9) . . . 6_565 ?
C58A C57A C61A C61A -141.3(7) . . . 6_565 ?
C4A C57A C61A C61A -141.9(12) 6_565 . . 6_565 ?
Sc1A C57A C61A C61A -70.9(3) 6_565 . . 6_565 ?
Sc1A C57A C61A C61A -56.0(3) . . . 6_565 ?
C38A C38A C62A C37A 4.7(15) 6_565 . . 6_565 ?
C62A C38A C62A C37A -175.3(15) 6_565 . . 6_565 ?
C37A C38A C62A C37A -173(2) . . . 6_565 ?
C39A C38A C62A C37A 44(3) . . . 6_565 ?
C39A C38A C62A C37A 35(2) 6_565 . . 6_565 ?
C63A C38A C62A C37A 157.8(19) 6_565 . . 6_565 ?
Sc2A C38A C62A C37A 124(2) . . . 6_565 ?
Sc2A C38A C62A C37A 104(2) 6_565 . . 6_565 ?
C62A C38A C62A C38A 180.003(10) 6_565 . . 6_565 ?
C37A C38A C62A C38A -177.8(7) . . . 6_565 ?
C39A C38A C62A C38A 38.9(14) . . . 6_565 ?
C39A C38A C62A C38A 30.6(12) 6_565 . . 6_565 ?
C63A C38A C62A C38A 153.1(7) 6_565 . . 6_565 ?
C37A C38A C62A C38A -4.7(16) 6_565 . . 6_565 ?
Sc2A C38A C62A C38A 119.5(8) . . . 6_565 ?
Sc2A C38A C62A C38A 98.9(9) 6_565 . . 6_565 ?
C38A C38A C62A C33A -175(3) 6_565 . . 6_565 ?
C62A C38A C62A C33A 5(3) 6_565 . . 6_565 ?
C37A C38A C62A C33A 7(3) . . . 6_565 ?
C39A C38A C62A C33A -136(2) . . . 6_565 ?
C39A C38A C62A C33A -144(2) 6_565 . . 6_565 ?
C63A C38A C62A C33A -22(3) 6_565 . . 6_565 ?
C37A C38A C62A C33A -179(100) 6_565 . . 6_565 ?
Sc2A C38A C62A C33A -55(2) . . . 6_565 ?
Sc2A C38A C62A C33A -76(2) 6_565 . . 6_565 ?
C38A C38A C62A C32A -175.6(14) 6_565 . . . ?
C62A C38A C62A C32A 4.4(14) 6_565 . . . ?
C37A C38A C62A C32A 6.5(11) . . . . ?
C39A C38A C62A C32A -136.7(9) . . . . ?
C39A C38A C62A C32A -145.0(8) 6_565 . . . ?
C63A C38A C62A C32A -22.5(13) 6_565 . . . ?
C37A C38A C62A C32A 180(100) 6_565 . . . ?
Sc2A C38A C62A C32A -56.1(8) . . . . ?
Sc2A C38A C62A C32A -76.8(8) 6_565 . . . ?
C38A C38A C62A C62A 179.997(5) 6_565 . . 6_565 ?
C37A C38A C62A C62A 2.2(7) . . . 6_565 ?
C39A C38A C62A C62A -141.1(14) . . . 6_565 ?
C39A C38A C62A C62A -149.4(12) 6_565 . . 6_565 ?
C63A C38A C62A C62A -26.9(7) 6_565 . . 6_565 ?
C37A C38A C62A C62A 175.3(15) 6_565 . . 6_565 ?
Sc2A C38A C62A C62A -60.5(8) . . . 6_565 ?
Sc2A C38A C62A C62A -81.1(9) 6_565 . . 6_565 ?
C38A C38A C62A C63A -33.6(8) 6_565 . . . ?
C62A C38A C62A C63A 146.4(8) 6_565 . . . ?
C37A C38A C62A C63A 148.6(10) . . . . ?
C39A C38A C62A C63A 5.3(14) . . . . ?
C39A C38A C62A C63A -3.0(12) 6_565 . . . ?
C63A C38A C62A C63A 119.6(13) 6_565 . . . ?
C37A C38A C62A C63A -38.3(18) 6_565 . . . ?
Sc2A C38A C62A C63A 85.9(10) . . . . ?
Sc2A C38A C62A C63A 65.3(9) 6_565 . . . ?
C38A C38A C62A C32A -176.4(12) 6_565 . . 6_565 ?
C62A C38A C62A C32A 3.6(12) 6_565 . . 6_565 ?
C37A C38A C62A C32A 5.8(9) . . . 6_565 ?
C39A C38A C62A C32A -137.5(8) . . . 6_565 ?
C39A C38A C62A C32A -145.8(7) 6_565 . . 6_565 ?
C63A C38A C62A C32A -23.3(11) 6_565 . . 6_565 ?
C37A C38A C62A C32A 179(2) 6_565 . . 6_565 ?
Sc2A C38A C62A C32A -56.9(5) . . . 6_565 ?
Sc2A C38A C62A C32A -77.5(6) 6_565 . . 6_565 ?
C38A C38A C62A Sc2A -98.9(9) 6_565 . . 6_565 ?
C62A C38A C62A Sc2A 81.1(9) 6_565 . . 6_565 ?
C37A C38A C62A Sc2A 83.3(7) . . . 6_565 ?
C39A C38A C62A Sc2A -60.0(8) . . . 6_565 ?
C39A C38A C62A Sc2A -68.3(6) 6_565 . . 6_565 ?
C63A C38A C62A Sc2A 54.2(9) 6_565 . . 6_565 ?
C37A C38A C62A Sc2A -104(2) 6_565 . . 6_565 ?
Sc2A C38A C62A Sc2A 20.6(2) . . . 6_565 ?
C38A C38A C62A Sc2A -119.5(8) 6_565 . . . ?
C62A C38A C62A Sc2A 60.5(8) 6_565 . . . ?
C37A C38A C62A Sc2A 62.7(7) . . . . ?
C39A C38A C62A Sc2A -80.6(8) . . . . ?
C39A C38A C62A Sc2A -88.9(6) 6_565 . . . ?
C63A C38A C62A Sc2A 33.6(8) 6_565 . . . ?
C37A C38A C62A Sc2A -124(2) 6_565 . . . ?
Sc2A C38A C62A Sc2A -20.6(2) 6_565 . . . ?
C32A C32A C62A C37A 176.7(15) 6_565 . . 6_565 ?
C33A C32A C62A C37A -0.9(16) 6_565 . . 6_565 ?
C33A C32A C62A C37A 175.3(18) . . . 6_565 ?
C31A C32A C62A C37A -44(2) . . . 6_565 ?
C62A C32A C62A C37A 176.7(15) 6_565 . . 6_565 ?
C31A C32A C62A C37A -129(2) 6_565 . . 6_565 ?
Sc2A C32A C62A C37A -91.0(17) 6_565 . . 6_565 ?
Sc2A C32A C62A C37A -123.1(18) . . . 6_565 ?
C32A C32A C62A C38A -5.8(19) 6_565 . . 6_565 ?
C33A C32A C62A C38A 177(2) 6_565 . . 6_565 ?
C33A C32A C62A C38A -7(2) . . . 6_565 ?
C31A C32A C62A C38A 133.0(16) . . . 6_565 ?
C62A C32A C62A C38A -5.8(19) 6_565 . . 6_565 ?
C31A C32A C62A C38A 48(2) 6_565 . . 6_565 ?
C37A C32A C62A C38A 177(3) 6_565 . . 6_565 ?
Sc2A C32A C62A C38A 86.4(17) 6_565 . . 6_565 ?
Sc2A C32A C62A C38A 54.4(17) . . . 6_565 ?
C32A C32A C62A C33A 177.7(10) 6_565 . . 6_565 ?
C33A C32A C62A C33A 176.2(17) . . . 6_565 ?
C31A C32A C62A C33A -43.5(11) . . . 6_565 ?
C62A C32A C62A C33A 177.7(10) 6_565 . . 6_565 ?
C31A C32A C62A C33A -128.4(18) 6_565 . . 6_565 ?
C37A C32A C62A C33A 0.9(16) 6_565 . . 6_565 ?
Sc2A C32A C62A C33A -90.1(11) 6_565 . . 6_565 ?
Sc2A C32A C62A C33A -122.1(11) . . . 6_565 ?
C32A C32A C62A C38A -3.0(10) 6_565 . . . ?
C33A C32A C62A C38A 179.3(14) 6_565 . . . ?
C33A C32A C62A C38A -4.4(12) . . . . ?
C31A C32A C62A C38A 135.9(10) . . . . ?
C62A C32A C62A C38A -3.0(10) 6_565 . . . ?
C31A C32A C62A C38A 50.9(16) 6_565 . . . ?
C37A C32A C62A C38A -180(100) 6_565 . . . ?
Sc2A C32A C62A C38A 89.3(8) 6_565 . . . ?
Sc2A C32A C62A C38A 57.2(8) . . . . ?
C32A C32A C62A C62A 0.007(8) 6_565 . . 6_565 ?
C33A C32A C62A C62A -177.7(10) 6_565 . . 6_565 ?
C33A C32A C62A C62A -1.5(6) . . . 6_565 ?
C31A C32A C62A C62A 138.8(10) . . . 6_565 ?
C31A C32A C62A C62A 53.9(12) 6_565 . . 6_565 ?
C37A C32A C62A C62A -176.7(15) 6_565 . . 6_565 ?
Sc2A C32A C62A C62A 92.2(3) 6_565 . . 6_565 ?
Sc2A C32A C62A C62A 60.2(3) . . . 6_565 ?
C32A C32A C62A C63A -144.8(8) 6_565 . . . ?
C33A C32A C62A C63A 37.5(13) 6_565 . . . ?
C33A C32A C62A C63A -146.3(10) . . . . ?
C31A C32A C62A C63A -6.0(15) . . . . ?
C62A C32A C62A C63A -144.8(8) 6_565 . . . ?
C31A C32A C62A C63A -90.9(15) 6_565 . . . ?
C37A C32A C62A C63A 38.5(15) 6_565 . . . ?
Sc2A C32A C62A C63A -52.6(9) 6_565 . . . ?
Sc2A C32A C62A C63A -84.6(10) . . . . ?
C33A C32A C62A C32A -177.7(10) 6_565 . . 6_565 ?
C33A C32A C62A C32A -1.5(6) . . . 6_565 ?
C31A C32A C62A C32A 138.8(10) . . . 6_565 ?
C62A C32A C62A C32A -0.007(10) 6_565 . . 6_565 ?
C31A C32A C62A C32A 53.9(12) 6_565 . . 6_565 ?
C37A C32A C62A C32A -176.7(15) 6_565 . . 6_565 ?
Sc2A C32A C62A C32A 92.2(3) 6_565 . . 6_565 ?
Sc2A C32A C62A C32A 60.2(3) . . . 6_565 ?
C32A C32A C62A Sc2A -92.2(3) 6_565 . . 6_565 ?
C33A C32A C62A Sc2A 90.1(10) 6_565 . . 6_565 ?
C33A C32A C62A Sc2A -93.7(8) . . . 6_565 ?
C31A C32A C62A Sc2A 46.6(9) . . . 6_565 ?
C62A C32A C62A Sc2A -92.2(3) 6_565 . . 6_565 ?
C31A C32A C62A Sc2A -38.3(12) 6_565 . . 6_565 ?
C37A C32A C62A Sc2A 91.0(17) 6_565 . . 6_565 ?
Sc2A C32A C62A Sc2A -32.04(18) . . . 6_565 ?
C32A C32A C62A Sc2A -60.2(3) 6_565 . . . ?
C33A C32A C62A Sc2A 122.1(11) 6_565 . . . ?
C33A C32A C62A Sc2A -61.6(7) . . . . ?
C31A C32A C62A Sc2A 78.7(9) . . . . ?
C62A C32A C62A Sc2A -60.2(3) 6_565 . . . ?
C31A C32A C62A Sc2A -6.3(12) 6_565 . . . ?
C37A C32A C62A Sc2A 123.1(18) 6_565 . . . ?
Sc2A C32A C62A Sc2A 32.04(18) 6_565 . . . ?
C41A C60A C63A C36A 30(3) 6_565 . . 6_565 ?
C40A C60A C63A C36A 172(3) 6_565 . . 6_565 ?
C61A C60A C63A C36A -175(2) . . . 6_565 ?
C59A C60A C63A C36A 46(2) . . . 6_565 ?
C39A C60A C63A C36A -174(2) 6_565 . . 6_565 ?
Sc2A C60A C63A C36A 122(2) 6_565 . . 6_565 ?
C41A C60A C63A C37A 165(3) 6_565 . . 6_565 ?
C40A C60A C63A C37A -52(3) 6_565 . . 6_565 ?
C36A C60A C63A C37A 136(3) 6_565 . . 6_565 ?
C61A C60A C63A C37A -39(2) . . . 6_565 ?
C59A C60A C63A C37A -178.5(16) . . . 6_565 ?
C39A C60A C63A C37A -38.6(18) 6_565 . . 6_565 ?
Sc2A C60A C63A C37A -102.3(17) 6_565 . . 6_565 ?
C41A C60A C63A C64A -11(3) 6_565 . . . ?
C40A C60A C63A C64A 131(2) 6_565 . . . ?
C36A C60A C63A C64A -41(2) 6_565 . . . ?
C61A C60A C63A C64A 144.4(11) . . . . ?
C59A C60A C63A C64A 5.1(16) . . . . ?
C39A C60A C63A C64A 145.0(11) 6_565 . . . ?
Sc2A C60A C63A C64A 81.3(12) 6_565 . . . ?
C41A C60A C63A C62A -163(2) 6_565 . . . ?
C40A C60A C63A C62A -20(3) 6_565 . . . ?
C36A C60A C63A C62A 168(3) 6_565 . . . ?
C61A C60A C63A C62A -7.2(18) . . . . ?
C59A C60A C63A C62A -146.4(11) . . . . ?
C39A C60A C63A C62A -6.5(13) 6_565 . . . ?
Sc2A C60A C63A C62A -70.2(9) 6_565 . . . ?
C40A C60A C63A C41A 142(4) 6_565 . . 6_565 ?
C36A C60A C63A C41A -30(3) 6_565 . . 6_565 ?
C61A C60A C63A C41A 155(3) . . . 6_565 ?
C59A C60A C63A C41A 16(2) . . . 6_565 ?
C39A C60A C63A C41A 156(3) 6_565 . . 6_565 ?
Sc2A C60A C63A C41A 92(2) 6_565 . . 6_565 ?
C41A C60A C63A C35A -5(3) 6_565 . . 6_565 ?
C40A C60A C63A C35A 137(2) 6_565 . . 6_565 ?
C36A C60A C63A C35A -34.9(17) 6_565 . . 6_565 ?
C61A C60A C63A C35A 150.0(11) . . . 6_565 ?
C59A C60A C63A C35A 10.8(16) . . . 6_565 ?
C39A C60A C63A C35A 150.7(11) 6_565 . . 6_565 ?
Sc2A C60A C63A C35A 87.0(13) 6_565 . . 6_565 ?
C41A C60A C63A C38A -166(2) 6_565 . . 6_565 ?
C40A C60A C63A C38A -24(2) 6_565 . . 6_565 ?
C36A C60A C63A C38A 164(3) 6_565 . . 6_565 ?
C61A C60A C63A C38A -10.8(12) . . . 6_565 ?
C59A C60A C63A C38A -150.0(9) . . . 6_565 ?
C39A C60A C63A C38A -10.1(7) 6_565 . . 6_565 ?
Sc2A C60A C63A C38A -73.8(6) 6_565 . . 6_565 ?
C41A C60A C63A C33A -141(4) 6_565 . . 6_565 ?
C40A C60A C63A C33A 1(5) 6_565 . . 6_565 ?
C36A C60A C63A C33A -171(5) 6_565 . . 6_565 ?
C61A C60A C63A C33A 14(4) . . . 6_565 ?
C59A C60A C63A C33A -125(3) . . . 6_565 ?
C39A C60A C63A C33A 15(4) 6_565 . . 6_565 ?
Sc2A C60A C63A C33A -49(3) 6_565 . . 6_565 ?
C41A C60A C63A Sc2A -92(2) 6_565 . . 6_565 ?
C40A C60A C63A Sc2A 50(2) 6_565 . . 6_565 ?
C36A C60A C63A Sc2A -122(2) 6_565 . . 6_565 ?
C61A C60A C63A Sc2A 63.0(12) . . . 6_565 ?
C59A C60A C63A Sc2A -76.2(9) . . . 6_565 ?
C39A C60A C63A Sc2A 63.7(7) 6_565 . . 6_565 ?
C37A C62A C63A C36A 33(6) 6_565 . . 6_565 ?
C38A C62A C63A C36A 139(6) 6_565 . . 6_565 ?
C33A C62A C63A C36A -44(6) 6_565 . . 6_565 ?
C38A C62A C63A C36A 154(6) . . . 6_565 ?
C32A C62A C63A C36A -68(6) . . . 6_565 ?
C62A C62A C63A C36A -166(6) 6_565 . . 6_565 ?
C32A C62A C63A C36A -79(7) 6_565 . . 6_565 ?
Sc2A C62A C63A C36A -125(6) 6_565 . . 6_565 ?
Sc2A C62A C63A C36A -136(6) . . . 6_565 ?
C38A C62A C63A C37A 106(2) 6_565 . . 6_565 ?
C33A C62A C63A C37A -77.3(17) 6_565 . . 6_565 ?
C38A C62A C63A C37A 121(2) . . . 6_565 ?
C32A C62A C63A C37A -101.0(19) . . . 6_565 ?
C62A C62A C63A C37A 161.3(17) 6_565 . . 6_565 ?
C32A C62A C63A C37A -112(2) 6_565 . . 6_565 ?
Sc2A C62A C63A C37A -158.1(19) 6_565 . . 6_565 ?
Sc2A C62A C63A C37A -168.9(18) . . . 6_565 ?
C37A C62A C63A C60A -113(2) 6_565 . . . ?
C38A C62A C63A C60A -7.0(16) 6_565 . . . ?
C33A C62A C63A C60A 169.2(13) 6_565 . . . ?
C38A C62A C63A C60A 7.6(17) . . . . ?
C32A C62A C63A C60A 145.6(11) . . . . ?
C62A C62A C63A C60A 47.8(17) 6_565 . . . ?
C32A C62A C63A C60A 134.3(11) 6_565 . . . ?
Sc2A C62A C63A C60A 88.4(12) 6_565 . . . ?
Sc2A C62A C63A C60A 77.6(12) . . . . ?
C37A C62A C63A C64A 96(2) 6_565 . . . ?
C38A C62A C63A C64A -157.9(14) 6_565 . . . ?
C33A C62A C63A C64A 18.3(14) 6_565 . . . ?
C38A C62A C63A C64A -143.2(13) . . . . ?
C32A C62A C63A C64A -5.3(17) . . . . ?
C62A C62A C63A C64A -103.0(12) 6_565 . . . ?
C32A C62A C63A C64A -16.6(19) 6_565 . . . ?
Sc2A C62A C63A C64A -62.5(12) 6_565 . . . ?
Sc2A C62A C63A C64A -73.2(13) . . . . ?
C37A C62A C63A C41A -124(3) 6_565 . . 6_565 ?
C38A C62A C63A C41A -17(2) 6_565 . . 6_565 ?
C33A C62A C63A C41A 158.8(19) 6_565 . . 6_565 ?
C38A C62A C63A C41A -3(2) . . . 6_565 ?
C32A C62A C63A C41A 135.1(17) . . . 6_565 ?
C62A C62A C63A C41A 37(2) 6_565 . . 6_565 ?
C32A C62A C63A C41A 123.9(16) 6_565 . . 6_565 ?
Sc2A C62A C63A C41A 78.0(18) 6_565 . . 6_565 ?
Sc2A C62A C63A C41A 67.2(18) . . . 6_565 ?
C37A C62A C63A C35A 89(2) 6_565 . . 6_565 ?
C38A C62A C63A C35A -164.1(14) 6_565 . . 6_565 ?
C33A C62A C63A C35A 12.1(13) 6_565 . . 6_565 ?
C38A C62A C63A C35A -149.5(12) . . . 6_565 ?
C32A C62A C63A C35A -11.6(17) . . . 6_565 ?
C62A C62A C63A C35A -109.3(10) 6_565 . . 6_565 ?
C32A C62A C63A C35A -22.8(19) 6_565 . . 6_565 ?
Sc2A C62A C63A C35A -68.7(11) 6_565 . . 6_565 ?
Sc2A C62A C63A C35A -79.5(12) . . . 6_565 ?
C37A C62A C63A C38A -106(2) 6_565 . . 6_565 ?
C33A C62A C63A C38A 176.2(14) 6_565 . . 6_565 ?
C38A C62A C63A C38A 14.6(5) . . . 6_565 ?
C32A C62A C63A C38A 152.5(16) . . . 6_565 ?
C62A C62A C63A C38A 54.8(10) 6_565 . . 6_565 ?
C32A C62A C63A C38A 141.3(17) 6_565 . . 6_565 ?
Sc2A C62A C63A C38A 95.4(10) 6_565 . . 6_565 ?
Sc2A C62A C63A C38A 84.6(10) . . . 6_565 ?
C37A C62A C63A C33A 77.3(17) 6_565 . . 6_565 ?
C38A C62A C63A C33A -176.2(14) 6_565 . . 6_565 ?
C38A C62A C63A C33A -161.6(14) . . . 6_565 ?
C32A C62A C63A C33A -23.7(8) . . . 6_565 ?
C62A C62A C63A C33A -121.4(11) 6_565 . . 6_565 ?
C32A C62A C63A C33A -34.9(9) 6_565 . . 6_565 ?
Sc2A C62A C63A C33A -80.8(7) 6_565 . . 6_565 ?
Sc2A C62A C63A C33A -91.6(7) . . . 6_565 ?
C37A C62A C63A Sc2A 158.1(19) 6_565 . . 6_565 ?
C38A C62A C63A Sc2A -95.4(10) 6_565 . . 6_565 ?
C33A C62A C63A Sc2A 80.8(7) 6_565 . . 6_565 ?
C38A C62A C63A Sc2A -80.8(9) . . . 6_565 ?
C32A C62A C63A Sc2A 57.1(9) . . . 6_565 ?
C62A C62A C63A Sc2A -40.6(9) 6_565 . . 6_565 ?
C32A C62A C63A Sc2A 45.9(10) 6_565 . . 6_565 ?
Sc2A C62A C63A Sc2A -10.8(2) . . . 6_565 ?
C36A C63A C64A C35A 63(6) 6_565 . . 6_565 ?
C37A C63A C64A C35A -61(7) 6_565 . . 6_565 ?
C60A C63A C64A C35A 115(7) . . . 6_565 ?
C62A C63A C64A C35A -93(7) . . . 6_565 ?
C41A C63A C64A C35A 111(7) 6_565 . . 6_565 ?
C38A C63A C64A C35A -113(7) 6_565 . . 6_565 ?
C33A C63A C64A C35A -80(7) 6_565 . . 6_565 ?
Sc2A C63A C64A C35A -150(7) 6_565 . . 6_565 ?
C37A C63A C64A C36A -124(3) 6_565 . . 6_565 ?
C60A C63A C64A C36A 53(2) . . . 6_565 ?
C62A C63A C64A C36A -156(3) . . . 6_565 ?
C41A C63A C64A C36A 49(2) 6_565 . . 6_565 ?
C35A C63A C64A C36A -63(6) 6_565 . . 6_565 ?
C38A C63A C64A C36A -176(4) 6_565 . . 6_565 ?
C33A C63A C64A C36A -143(3) 6_565 . . 6_565 ?
Sc2A C63A C64A C36A 147(3) 6_565 . . 6_565 ?
C36A C63A C64A C68A -60(3) 6_565 . . . ?
C37A C63A C64A C68A 176.4(15) 6_565 . . . ?
C60A C63A C64A C68A -6.9(18) . . . . ?
C62A C63A C64A C68A 144.8(12) . . . . ?
C41A C63A C64A C68A -11.1(15) 6_565 . . . ?
C35A C63A C64A C68A -122(7) 6_565 . . . ?
C38A C63A C64A C68A 124.8(17) 6_565 . . . ?
C33A C63A C64A C68A 157.4(13) 6_565 . . . ?
Sc2A C63A C64A C68A 87.4(12) 6_565 . . . ?
C36A C63A C64A C34A 145(3) 6_565 . . 6_565 ?
C37A C63A C64A C34A 21(2) 6_565 . . 6_565 ?
C60A C63A C64A C34A -162.2(12) . . . 6_565 ?
C62A C63A C64A C34A -10.6(18) . . . 6_565 ?
C41A C63A C64A C34A -166.5(13) 6_565 . . 6_565 ?
C35A C63A C64A C34A 82(7) 6_565 . . 6_565 ?
C38A C63A C64A C34A -31(3) 6_565 . . 6_565 ?
C33A C63A C64A C34A 2.0(10) 6_565 . . 6_565 ?
Sc2A C63A C64A C34A -67.9(11) 6_565 . . 6_565 ?
C36A C63A C64A C65A 160(3) 6_565 . . . ?
C37A C63A C64A C65A 36(2) 6_565 . . . ?
C60A C63A C64A C65A -147.2(13) . . . . ?
C62A C63A C64A C65A 4(2) . . . . ?
C41A C63A C64A C65A -151.4(15) 6_565 . . . ?
C35A C63A C64A C65A 98(7) 6_565 . . . ?
C38A C63A C64A C65A -16(3) 6_565 . . . ?
C33A C63A C64A C65A 17.1(14) 6_565 . . . ?
Sc2A C63A C64A C65A -52.9(14) 6_565 . . . ?
C36A C63A C64A C47A -69(3) 6_565 . . 6_565 ?
C37A C63A C64A C47A 167(2) 6_565 . . 6_565 ?
C60A C63A C64A C47A -16(3) . . . 6_565 ?
C62A C63A C64A C47A 136(2) . . . 6_565 ?
C41A C63A C64A C47A -20(2) 6_565 . . 6_565 ?
C35A C63A C64A C47A -131(7) 6_565 . . 6_565 ?
C38A C63A C64A C47A 116(2) 6_565 . . 6_565 ?
C33A C63A C64A C47A 148(2) 6_565 . . 6_565 ?
Sc2A C63A C64A C47A 78(2) 6_565 . . 6_565 ?
C36A C63A C64A Sc2A -147(3) 6_565 . . 6_565 ?
C37A C63A C64A Sc2A 89.0(15) 6_565 . . 6_565 ?
C60A C63A C64A Sc2A -94.3(11) . . . 6_565 ?
C62A C63A C64A Sc2A 57.4(10) . . . 6_565 ?
C41A C63A C64A Sc2A -98.5(9) 6_565 . . 6_565 ?
C35A C63A C64A Sc2A 150(7) 6_565 . . 6_565 ?
C38A C63A C64A Sc2A 37.3(18) 6_565 . . 6_565 ?
C33A C63A C64A Sc2A 70.0(5) 6_565 . . 6_565 ?
C35A C64A C65A C34A 106(6) 6_565 . . 6_565 ?
C36A C64A C65A C34A -24(3) 6_565 . . 6_565 ?
C63A C64A C65A C34A -38(2) . . . 6_565 ?
C68A C64A C65A C34A 177(2) . . . 6_565 ?
C47A C64A C65A C34A 171(2) 6_565 . . 6_565 ?
Sc2A C64A C65A C34A -83.5(19) 6_565 . . 6_565 ?
C35A C64A C65A C29A -141(6) 6_565 . . 6_565 ?
C36A C64A C65A C29A 89(3) 6_565 . . 6_565 ?
C63A C64A C65A C29A 76(3) . . . 6_565 ?
C68A C64A C65A C29A -70(3) . . . 6_565 ?
C34A C64A C65A C29A 113(3) 6_565 . . 6_565 ?
C47A C64A C65A C29A -76(3) 6_565 . . 6_565 ?
Sc2A C64A C65A C29A 30(2) 6_565 . . 6_565 ?
C36A C64A C65A C35A -130(7) 6_565 . . 6_565 ?
C63A C64A C65A C35A -144(6) . . . 6_565 ?
C68A C64A C65A C35A 71(5) . . . 6_565 ?
C34A C64A C65A C35A -106(6) 6_565 . . 6_565 ?
C47A C64A C65A C35A 65(5) 6_565 . . 6_565 ?
Sc2A C64A C65A C35A 171(5) 6_565 . . 6_565 ?
C35A C64A C65A C66A -67(5) 6_565 . . . ?
C36A C64A C65A C66A 163(3) 6_565 . . . ?
C63A C64A C65A C66A 149.1(14) . . . . ?
C68A C64A C65A C66A 3.9(15) . . . . ?
C34A C64A C65A C66A -173(2) 6_565 . . . ?
C47A C64A C65A C66A -2.1(14) 6_565 . . . ?
Sc2A C64A C65A C66A 103.4(8) 6_565 . . . ?
C35A C64A C65A C31A 151(5) 6_565 . . . ?
C36A C64A C65A C31A 21(3) 6_565 . . . ?
C63A C64A C65A C31A 7.3(19) . . . . ?
C68A C64A C65A C31A -138.0(11) . . . . ?
C34A C64A C65A C31A 45.2(17) 6_565 . . . ?
C47A C64A C65A C31A -143.9(12) 6_565 . . . ?
Sc2A C64A C65A C31A -38.4(9) 6_565 . . . ?
C35A C64A C65A C28A -83(5) 6_565 . . 6_565 ?
C36A C64A C65A C28A 147(3) 6_565 . . 6_565 ?
C63A C64A C65A C28A 133.2(13) . . . 6_565 ?
C68A C64A C65A C28A -12.1(16) . . . 6_565 ?
C34A C64A C65A C28A 171(2) 6_565 . . 6_565 ?
C47A C64A C65A C28A -18.0(15) 6_565 . . 6_565 ?
Sc2A C64A C65A C28A 87.5(9) 6_565 . . 6_565 ?
C35A C64A C65A C33A 127(5) 6_565 . . 6_565 ?
C36A C64A C65A C33A -3(3) 6_565 . . 6_565 ?
C63A C64A C65A C33A -16.9(14) . . . 6_565 ?
C68A C64A C65A C33A -162.1(13) . . . 6_565 ?
C34A C64A C65A C33A 21.0(17) 6_565 . . 6_565 ?
C47A C64A C65A C33A -168.1(13) 6_565 . . 6_565 ?
Sc2A C64A C65A C33A -62.5(5) 6_565 . . 6_565 ?
C35A C64A C65A Sc2A -171(5) 6_565 . . 6_565 ?
C36A C64A C65A Sc2A 59(3) 6_565 . . 6_565 ?
C63A C64A C65A Sc2A 45.7(13) . . . 6_565 ?
C68A C64A C65A Sc2A -99.6(12) . . . 6_565 ?
C34A C64A C65A Sc2A 83.5(19) 6_565 . . 6_565 ?
C47A C64A C65A Sc2A -105.5(12) 6_565 . . 6_565 ?
C29A C31A C65A C34A -155(2) 6_565 . . 6_565 ?
C30A C31A C65A C34A -173(2) . . . 6_565 ?
C32A C31A C65A C34A 34(2) . . . 6_565 ?
C33A C31A C65A C34A 20.7(19) 6_565 . . 6_565 ?
C31A C31A C65A C34A 122(2) 6_565 . . 6_565 ?
C32A C31A C65A C34A 42(2) 6_565 . . 6_565 ?
Sc2A C31A C65A C34A 90(2) 6_565 . . 6_565 ?
Sc2A C31A C65A C34A 95(2) . . . 6_565 ?
C34A C31A C65A C29A 155(2) 6_565 . . 6_565 ?
C30A C31A C65A C29A -17.6(9) . . . 6_565 ?
C32A C31A C65A C29A -170.4(11) . . . 6_565 ?
C33A C31A C65A C29A 175.8(10) 6_565 . . 6_565 ?
C31A C31A C65A C29A -83.3(12) 6_565 . . 6_565 ?
C32A C31A C65A C29A -163.1(12) 6_565 . . 6_565 ?
Sc2A C31A C65A C29A -115.3(8) 6_565 . . 6_565 ?
Sc2A C31A C65A C29A -109.5(8) . . . 6_565 ?
C29A C31A C65A C35A 160.2(18) 6_565 . . 6_565 ?
C34A C31A C65A C35A -44.7(17) 6_565 . . 6_565 ?
C30A C31A C65A C35A 142.6(13) . . . 6_565 ?
C32A C31A C65A C35A -10.3(18) . . . 6_565 ?
C33A C31A C65A C35A -24.0(15) 6_565 . . 6_565 ?
C31A C31A C65A C35A 76.9(18) 6_565 . . 6_565 ?
C32A C31A C65A C35A -3(2) 6_565 . . 6_565 ?
Sc2A C31A C65A C35A 44.9(14) 6_565 . . 6_565 ?
Sc2A C31A C65A C35A 50.7(15) . . . 6_565 ?
C29A C31A C65A C66A 15.0(9) 6_565 . . . ?
C34A C31A C65A C66A 170(3) 6_565 . . . ?
C30A C31A C65A C66A -2.5(13) . . . . ?
C32A C31A C65A C66A -155.4(10) . . . . ?
C33A C31A C65A C66A -169.1(11) 6_565 . . . ?
C31A C31A C65A C66A -68.2(13) 6_565 . . . ?
C32A C31A C65A C66A -148.0(10) 6_565 . . . ?
Sc2A C31A C65A C66A -100.2(9) 6_565 . . . ?
Sc2A C31A C65A C66A -94.5(9) . . . . ?
C29A C31A C65A C64A 153.0(14) 6_565 . . . ?
C34A C31A C65A C64A -51.9(19) 6_565 . . . ?
C30A C31A C65A C64A 135.4(10) . . . . ?
C32A C31A C65A C64A -17.4(14) . . . . ?
C33A C31A C65A C64A -31.2(11) 6_565 . . . ?
C31A C31A C65A C64A 69.7(15) 6_565 . . . ?
C32A C31A C65A C64A -10.1(15) 6_565 . . . ?
Sc2A C31A C65A C64A 37.7(10) 6_565 . . . ?
Sc2A C31A C65A C64A 43.5(11) . . . . ?
C29A C31A C65A C28A 16.0(7) 6_565 . . 6_565 ?
C34A C31A C65A C28A 171(2) 6_565 . . 6_565 ?
C30A C31A C65A C28A -1.6(10) . . . 6_565 ?
C32A C31A C65A C28A -154.4(8) . . . 6_565 ?
C33A C31A C65A C28A -168.2(8) 6_565 . . 6_565 ?
C31A C31A C65A C28A -67.3(11) 6_565 . . 6_565 ?
C32A C31A C65A C28A -147.1(9) 6_565 . . 6_565 ?
Sc2A C31A C65A C28A -99.3(6) 6_565 . . 6_565 ?
Sc2A C31A C65A C28A -93.5(6) . . . 6_565 ?
C29A C31A C65A C33A -175.8(10) 6_565 . . 6_565 ?
C34A C31A C65A C33A -20.7(19) 6_565 . . 6_565 ?
C30A C31A C65A C33A 166.6(10) . . . 6_565 ?
C32A C31A C65A C33A 13.7(7) . . . 6_565 ?
C31A C31A C65A C33A 100.9(10) 6_565 . . 6_565 ?
C32A C31A C65A C33A 21.1(9) 6_565 . . 6_565 ?
Sc2A C31A C65A C33A 68.9(5) 6_565 . . 6_565 ?
Sc2A C31A C65A C33A 74.7(6) . . . 6_565 ?
C29A C31A C65A Sc2A 115.3(8) 6_565 . . 6_565 ?
C34A C31A C65A Sc2A -89.6(19) 6_565 . . 6_565 ?
C30A C31A C65A Sc2A 97.7(7) . . . 6_565 ?
C32A C31A C65A Sc2A -55.1(7) . . . 6_565 ?
C33A C31A C65A Sc2A -68.9(5) 6_565 . . 6_565 ?
C31A C31A C65A Sc2A 32.0(9) 6_565 . . 6_565 ?
C32A C31A C65A Sc2A -47.8(8) 6_565 . . 6_565 ?
Sc2A C31A C65A Sc2A 5.8(2) . . . 6_565 ?
C29A C65A C66A C28A 15.8(19) 6_565 . . 6_565 ?
C35A C65A C66A C28A -151(2) 6_565 . . 6_565 ?
C64A C65A C66A C28A -139.9(19) . . . 6_565 ?
C31A C65A C66A C28A 3(2) . . . 6_565 ?
C33A C65A C66A C28A -34(4) 6_565 . . 6_565 ?
Sc2A C65A C66A C28A -70.9(19) 6_565 . . 6_565 ?
C29A C65A C66A C48A 143.2(17) 6_565 . . 6_565 ?
C35A C65A C66A C48A -23.2(19) 6_565 . . 6_565 ?
C64A C65A C66A C48A -13(2) . . . 6_565 ?
C31A C65A C66A C48A 130.1(15) . . . 6_565 ?
C28A C65A C66A C48A 127(3) 6_565 . . 6_565 ?
C33A C65A C66A C48A 94(3) 6_565 . . 6_565 ?
Sc2A C65A C66A C48A 56.5(16) 6_565 . . 6_565 ?
C29A C65A C66A C67A 151.7(11) 6_565 . . . ?
C35A C65A C66A C67A -14.7(14) 6_565 . . . ?
C64A C65A C66A C67A -4.0(14) . . . . ?
C31A C65A C66A C67A 138.6(10) . . . . ?
C28A C65A C66A C67A 136(2) 6_565 . . . ?
C33A C65A C66A C67A 102(3) 6_565 . . . ?
Sc2A C65A C66A C67A 65.0(10) 6_565 . . . ?
C35A C65A C66A C29A -166.5(14) 6_565 . . 6_565 ?
C64A C65A C66A C29A -155.7(13) . . . 6_565 ?
C31A C65A C66A C29A -13.2(8) . . . 6_565 ?
C28A C65A C66A C29A -15.8(19) 6_565 . . 6_565 ?
C33A C65A C66A C29A -49(3) 6_565 . . 6_565 ?
Sc2A C65A C66A C29A -86.7(8) 6_565 . . 6_565 ?
C29A C65A C66A C24A 4.0(11) 6_565 . . . ?
C35A C65A C66A C24A -162.5(12) 6_565 . . . ?
C64A C65A C66A C24A -151.7(11) . . . . ?
C31A C65A C66A C24A -9.2(15) . . . . ?
C28A C65A C66A C24A -11.8(14) 6_565 . . . ?
C33A C65A C66A C24A -45(4) 6_565 . . . ?
Sc2A C65A C66A C24A -82.7(10) 6_565 . . . ?
C29A C65A C66A C47A 157.5(11) 6_565 . . 6_565 ?
C35A C65A C66A C47A -9.0(11) 6_565 . . 6_565 ?
C64A C65A C66A C47A 1.8(12) . . . 6_565 ?
C31A C65A C66A C47A 144.3(11) . . . 6_565 ?
C28A C65A C66A C47A 142(2) 6_565 . . 6_565 ?
C33A C65A C66A C47A 108(3) 6_565 . . 6_565 ?
Sc2A C65A C66A C47A 70.8(8) 6_565 . . 6_565 ?
C29A C65A C66A C34A -77(12) 6_565 . . 6_565 ?
C35A C65A C66A C34A 117(13) 6_565 . . 6_565 ?
C64A C65A C66A C34A 128(13) . . . 6_565 ?
C31A C65A C66A C34A -90(12) . . . 6_565 ?
C28A C65A C66A C34A -92(13) 6_565 . . 6_565 ?
C33A C65A C66A C34A -126(14) 6_565 . . 6_565 ?
Sc2A C65A C66A C34A -163(13) 6_565 . . 6_565 ?
C27A C24A C66A C28A 41(6) 6_565 . . 6_565 ?
C25A C24A C66A C28A -68(6) . . . 6_565 ?
C23A C24A C66A C28A 70(6) . . . 6_565 ?
C29A C24A C66A C28A -84(6) 6_565 . . 6_565 ?
C26A C24A C66A C28A -24(6) 6_565 . . 6_565 ?
C48A C24A C66A C28A 68(6) 6_565 . . 6_565 ?
Sc3A C24A C66A C28A 5(6) . . . 6_565 ?
C28A C24A C66A C48A -68(6) 6_565 . . 6_565 ?
C27A C24A C66A C48A -26.9(19) 6_565 . . 6_565 ?
C25A C24A C66A C48A -135.4(12) . . . 6_565 ?
C23A C24A C66A C48A 2.0(15) . . . 6_565 ?
C29A C24A C66A C48A -151.8(14) 6_565 . . 6_565 ?
C26A C24A C66A C48A -91.7(14) 6_565 . . 6_565 ?
Sc3A C24A C66A C48A -62.9(11) . . . 6_565 ?
C28A C24A C66A C65A 81(6) 6_565 . . . ?
C27A C24A C66A C65A 121.6(15) 6_565 . . . ?
C25A C24A C66A C65A 13.2(15) . . . . ?
C23A C24A C66A C65A 150.6(10) . . . . ?
C29A C24A C66A C65A -3.2(9) 6_565 . . . ?
C26A C24A C66A C65A 56.9(16) 6_565 . . . ?
C48A C24A C66A C65A 148.6(18) 6_565 . . . ?
Sc3A C24A C66A C65A 85.7(10) . . . . ?
C28A C24A C66A C67A -64(6) 6_565 . . . ?
C27A C24A C66A C67A -23(2) 6_565 . . . ?
C25A C24A C66A C67A -131.4(10) . . . . ?
C23A C24A C66A C67A 6.0(15) . . . . ?
C29A C24A C66A C67A -147.8(13) 6_565 . . . ?
C26A C24A C66A C67A -87.7(14) 6_565 . . . ?
C48A C24A C66A C67A 3.9(13) 6_565 . . . ?
Sc3A C24A C66A C67A -58.9(10) . . . . ?
C28A C24A C66A C29A 84(6) 6_565 . . 6_565 ?
C27A C24A C66A C29A 124.8(16) 6_565 . . 6_565 ?
C25A C24A C66A C29A 16.4(9) . . . 6_565 ?
C23A C24A C66A C29A 153.8(10) . . . 6_565 ?
C26A C24A C66A C29A 60.1(12) 6_565 . . 6_565 ?
C48A C24A C66A C29A 151.8(14) 6_565 . . 6_565 ?
Sc3A C24A C66A C29A 88.9(6) . . . 6_565 ?
C28A C24A C66A C47A -43(6) 6_565 . . 6_565 ?
C27A C24A C66A C47A -2(3) 6_565 . . 6_565 ?
C25A C24A C66A C47A -110.7(16) . . . 6_565 ?
C23A C24A C66A C47A 27(2) . . . 6_565 ?
C29A C24A C66A C47A -127(2) 6_565 . . 6_565 ?
C26A C24A C66A C47A -67(2) 6_565 . . 6_565 ?
C48A C24A C66A C47A 24.7(13) 6_565 . . 6_565 ?
Sc3A C24A C66A C47A -38.2(17) . . . 6_565 ?
C28A C24A C66A C34A 84(6) 6_565 . . 6_565 ?
C27A C24A C66A C34A 124.7(15) 6_565 . . 6_565 ?
C25A C24A C66A C34A 16.2(14) . . . 6_565 ?
C23A C24A C66A C34A 153.6(9) . . . 6_565 ?
C29A C24A C66A C34A -0.2(8) 6_565 . . 6_565 ?
C26A C24A C66A C34A 60.0(16) 6_565 . . 6_565 ?
C48A C24A C66A C34A 151.6(17) 6_565 . . 6_565 ?
Sc3A C24A C66A C34A 88.7(9) . . . 6_565 ?
C28A C66A C67A C48A -22(4) 6_565 . . 6_565 ?
C65A C66A C67A C48A -160(4) . . . 6_565 ?
C29A C66A C67A C48A -116(4) 6_565 . . 6_565 ?
C24A C66A C67A C48A -12(4) . . . 6_565 ?
C47A C66A C67A C48A -171(5) 6_565 . . 6_565 ?
C34A C66A C67A C48A -162(4) 6_565 . . 6_565 ?
C28A C66A C67A C47A 149(3) 6_565 . . 6_565 ?
C48A C66A C67A C47A 171(5) 6_565 . . 6_565 ?
C65A C66A C67A C47A 11(2) . . . 6_565 ?
C29A C66A C67A C47A 55(3) 6_565 . . 6_565 ?
C24A C66A C67A C47A 159.1(18) . . . 6_565 ?
C34A C66A C67A C47A 9(2) 6_565 . . 6_565 ?
C28A C66A C67A C18A -2(2) 6_565 . . . ?
C48A C66A C67A C18A 20(3) 6_565 . . . ?
C65A C66A C67A C18A -139.8(12) . . . . ?
C29A C66A C67A C18A -95.9(18) 6_565 . . . ?
C24A C66A C67A C18A 8.5(17) . . . . ?
C47A C66A C67A C18A -151(3) 6_565 . . . ?
C34A C66A C67A C18A -141.9(12) 6_565 . . . ?
C28A C66A C67A C68A 140.5(19) 6_565 . . . ?
C48A C66A C67A C68A 162(4) 6_565 . . . ?
C65A C66A C67A C68A 2.5(14) . . . . ?
C29A C66A C67A C68A 46(2) 6_565 . . . ?
C24A C66A C67A C68A 150.8(10) . . . . ?
C47A C66A C67A C68A -8.3(17) 6_565 . . . ?
C34A C66A C67A C68A 0.4(13) 6_565 . . . ?
C28A C66A C67A C49A -6(2) 6_565 . . 6_565 ?
C48A C66A C67A C49A 16(3) 6_565 . . 6_565 ?
C65A C66A C67A C49A -143.9(11) . . . 6_565 ?
C29A C66A C67A C49A -100.0(17) 6_565 . . 6_565 ?
C24A C66A C67A C49A 4.3(15) . . . 6_565 ?
C47A C66A C67A C49A -155(3) 6_565 . . 6_565 ?
C34A C66A C67A C49A -146.1(10) 6_565 . . 6_565 ?
C48A C66A C67A C28A 22(4) 6_565 . . 6_565 ?
C65A C66A C67A C28A -138(2) . . . 6_565 ?
C29A C66A C67A C28A -94(3) 6_565 . . 6_565 ?
C24A C66A C67A C28A 10.3(13) . . . 6_565 ?
C47A C66A C67A C28A -149(3) 6_565 . . 6_565 ?
C34A C66A C67A C28A -140(2) 6_565 . . 6_565 ?
C28A C66A C67A C46A 127(2) 6_565 . . 6_565 ?
C48A C66A C67A C46A 148(5) 6_565 . . 6_565 ?
C65A C66A C67A C46A -11(2) . . . 6_565 ?
C29A C66A C67A C46A 33(3) 6_565 . . 6_565 ?
C24A C66A C67A C46A 136.9(15) . . . 6_565 ?
C47A C66A C67A C46A -22.2(15) 6_565 . . 6_565 ?
C34A C66A C67A C46A -13(2) 6_565 . . 6_565 ?
C49A C18A C67A C48A 1(4) 6_565 . . 6_565 ?
C50A C18A C67A C48A 154(4) 6_565 . . 6_565 ?
C17A C18A C67A C48A 159(3) . . . 6_565 ?
C19A C18A C67A C48A 4(3) . . . 6_565 ?
C45A C18A C67A C48A 164(3) 6_565 . . 6_565 ?
C54A C18A C67A C48A 15(3) 6_565 . . 6_565 ?
Sc3A C18A C67A C48A 58(3) . . . 6_565 ?
C49A C18A C67A C47A -155(4) 6_565 . . 6_565 ?
C50A C18A C67A C47A -2(4) 6_565 . . 6_565 ?
C48A C18A C67A C47A -156(5) 6_565 . . 6_565 ?
C17A C18A C67A C47A 3(3) . . . 6_565 ?
C19A C18A C67A C47A -152(2) . . . 6_565 ?
C45A C18A C67A C47A 8(3) 6_565 . . 6_565 ?
C54A C18A C67A C47A -141(2) 6_565 . . 6_565 ?
Sc3A C18A C67A C47A -97(2) . . . 6_565 ?
C49A C18A C67A C66A -15(4) 6_565 . . . ?
C50A C18A C67A C66A 138(2) 6_565 . . . ?
C48A C18A C67A C66A -16(2) 6_565 . . . ?
C17A C18A C67A C66A 143.3(13) . . . . ?
C19A C18A C67A C66A -12.1(19) . . . . ?
C45A C18A C67A C66A 148.4(12) 6_565 . . . ?
C54A C18A C67A C66A -1.0(16) 6_565 . . . ?
Sc3A C18A C67A C66A 42.6(11) . . . . ?
C49A C18A C67A C68A -153(4) 6_565 . . . ?
C50A C18A C67A C68A 0(3) 6_565 . . . ?
C48A C18A C67A C68A -154(4) 6_565 . . . ?
C17A C18A C67A C68A 5.5(19) . . . . ?
C19A C18A C67A C68A -150.0(12) . . . . ?
C45A C18A C67A C68A 10.6(14) 6_565 . . . ?
C54A C18A C67A C68A -138.9(11) 6_565 . . . ?
Sc3A C18A C67A C68A -95.3(11) . . . . ?
C50A C18A C67A C49A 153(6) 6_565 . . 6_565 ?
C48A C18A C67A C49A -1(4) 6_565 . . 6_565 ?
C17A C18A C67A C49A 158(5) . . . 6_565 ?
C19A C18A C67A C49A 3(3) . . . 6_565 ?
C45A C18A C67A C49A 163(4) 6_565 . . 6_565 ?
C54A C18A C67A C49A 14(3) 6_565 . . 6_565 ?
Sc3A C18A C67A C49A 58(4) . . . 6_565 ?
C49A C18A C67A C28A -16(4) 6_565 . . 6_565 ?
C50A C18A C67A C28A 137(2) 6_565 . . 6_565 ?
C48A C18A C67A C28A -17(3) 6_565 . . 6_565 ?
C17A C18A C67A C28A 142.7(12) . . . 6_565 ?
C19A C18A C67A C28A -12.8(15) . . . 6_565 ?
C45A C18A C67A C28A 147.8(10) 6_565 . . 6_565 ?
C54A C18A C67A C28A -1.7(12) 6_565 . . 6_565 ?
Sc3A C18A C67A C28A 41.9(7) . . . 6_565 ?
C49A C18A C67A C46A -165(4) 6_565 . . 6_565 ?
C50A C18A C67A C46A -12(3) 6_565 . . 6_565 ?
C48A C18A C67A C46A -166(3) 6_565 . . 6_565 ?
C17A C18A C67A C46A -6.4(14) . . . 6_565 ?
C19A C18A C67A C46A -161.8(13) . . . 6_565 ?
C45A C18A C67A C46A -1.3(9) 6_565 . . 6_565 ?
C54A C18A C67A C46A -150.7(11) 6_565 . . 6_565 ?
Sc3A C18A C67A C46A -107.1(7) . . . 6_565 ?
C35A C64A C68A C47A 46(5) 6_565 . . 6_565 ?
C36A C64A C68A C47A 175(4) 6_565 . . 6_565 ?
C63A C64A C68A C47A -163(4) . . . 6_565 ?
C34A C64A C68A C47A -16(4) 6_565 . . 6_565 ?
C65A C64A C68A C47A -17(4) . . . 6_565 ?
Sc2A C64A C68A C47A -99(3) 6_565 . . 6_565 ?
C35A C64A C68A C46A -154(5) 6_565 . . 6_565 ?
C36A C64A C68A C46A -25(4) 6_565 . . 6_565 ?
C63A C64A C68A C46A -3(4) . . . 6_565 ?
C34A C64A C68A C46A 144(3) 6_565 . . 6_565 ?
C65A C64A C68A C46A 142(3) . . . 6_565 ?
C47A C64A C68A C46A 160(6) 6_565 . . 6_565 ?
Sc2A C64A C68A C46A 61(3) 6_565 . . 6_565 ?
C35A C64A C68A C69A -150(4) 6_565 . . . ?
C36A C64A C68A C69A -21(2) 6_565 . . . ?
C63A C64A C68A C69A 1.3(19) . . . . ?
C34A C64A C68A C69A 148.2(17) 6_565 . . . ?
C65A C64A C68A C69A 146.5(12) . . . . ?
C47A C64A C68A C69A 164(4) 6_565 . . . ?
Sc2A C64A C68A C69A 65.3(12) 6_565 . . . ?
C36A C64A C68A C35A 130(5) 6_565 . . 6_565 ?
C63A C64A C68A C35A 151(5) . . . 6_565 ?
C34A C64A C68A C35A -62(4) 6_565 . . 6_565 ?
C65A C64A C68A C35A -63(4) . . . 6_565 ?
C47A C64A C68A C35A -46(5) 6_565 . . 6_565 ?
Sc2A C64A C68A C35A -145(5) 6_565 . . 6_565 ?
C35A C64A C68A C67A 61(5) 6_565 . . . ?
C36A C64A C68A C67A -169.4(14) 6_565 . . . ?
C63A C64A C68A C67A -147.5(12) . . . . ?
C34A C64A C68A C67A -1(2) 6_565 . . . ?
C65A C64A C68A C67A -2.3(15) . . . . ?
C47A C64A C68A C67A 15(3) 6_565 . . . ?
Sc2A C64A C68A C67A -83.5(10) 6_565 . . . ?
C35A C64A C68A C48A 65(4) 6_565 . . 6_565 ?
C36A C64A C68A C48A -165.8(14) 6_565 . . 6_565 ?
C63A C64A C68A C48A -143.9(12) . . . 6_565 ?
C34A C64A C68A C48A 3(2) 6_565 . . 6_565 ?
C65A C64A C68A C48A 1.3(14) . . . 6_565 ?
C47A C64A C68A C48A 19(3) 6_565 . . 6_565 ?
Sc2A C64A C68A C48A -79.9(9) 6_565 . . 6_565 ?
C35A C64A C68A C42A -143(4) 6_565 . . 6_565 ?
C36A C64A C68A C42A -13.1(16) 6_565 . . 6_565 ?
C63A C64A C68A C42A 8.8(15) . . . 6_565 ?
C34A C64A C68A C42A 155.7(17) 6_565 . . 6_565 ?
C65A C64A C68A C42A 154.0(11) . . . 6_565 ?
C47A C64A C68A C42A 171(4) 6_565 . . 6_565 ?
Sc2A C64A C68A C42A 72.8(8) 6_565 . . 6_565 ?
C35A C64A C68A Sc2A 145(5) 6_565 . . 6_565 ?
C36A C64A C68A Sc2A -85.9(15) 6_565 . . 6_565 ?
C63A C64A C68A Sc2A -64.0(12) . . . 6_565 ?
C34A C64A C68A Sc2A 83.0(17) 6_565 . . 6_565 ?
C65A C64A C68A Sc2A 81.2(10) . . . 6_565 ?
C47A C64A C68A Sc2A 99(3) 6_565 . . 6_565 ?
C48A C67A C68A C47A 76(9) 6_565 . . 6_565 ?
C66A C67A C68A C47A 46(7) . . . 6_565 ?
C18A C67A C68A C47A -172(8) . . . 6_565 ?
C49A C67A C68A C47A 179(8) 6_565 . . 6_565 ?
C28A C67A C68A C47A 62(7) 6_565 . . 6_565 ?
C46A C67A C68A C47A -150(8) 6_565 . . 6_565 ?
C48A C67A C68A C46A -134(7) 6_565 . . 6_565 ?
C47A C67A C68A C46A 150(8) 6_565 . . 6_565 ?
C66A C67A C68A C46A -164.1(14) . . . 6_565 ?
C18A C67A C68A C46A -21.4(17) . . . 6_565 ?
C49A C67A C68A C46A -31.2(19) 6_565 . . 6_565 ?
C28A C67A C68A C46A -147.6(15) 6_565 . . 6_565 ?
C48A C67A C68A C69A -119(7) 6_565 . . . ?
C47A C67A C68A C69A 165(8) 6_565 . . . ?
C66A C67A C68A C69A -149.8(14) . . . . ?
C18A C67A C68A C69A -7.2(19) . . . . ?
C49A C67A C68A C69A -17(2) 6_565 . . . ?
C28A C67A C68A C69A -133.3(14) 6_565 . . . ?
C46A C67A C68A C69A 14.3(14) 6_565 . . . ?
C48A C67A C68A C35A 41(7) 6_565 . . 6_565 ?
C47A C67A C68A C35A -35(7) 6_565 . . 6_565 ?
C66A C67A C68A C35A 10.3(14) . . . 6_565 ?
C18A C67A C68A C35A 152.9(14) . . . 6_565 ?
C49A C67A C68A C35A 143.2(16) 6_565 . . 6_565 ?
C28A C67A C68A C35A 26.8(16) 6_565 . . 6_565 ?
C46A C67A C68A C35A 174.4(19) 6_565 . . 6_565 ?
C48A C67A C68A C64A 30(7) 6_565 . . . ?
C47A C67A C68A C64A -46(7) 6_565 . . . ?
C66A C67A C68A C64A -0.1(15) . . . . ?
C18A C67A C68A C64A 142.6(13) . . . . ?
C49A C67A C68A C64A 132.8(15) 6_565 . . . ?
C28A C67A C68A C64A 16.4(16) 6_565 . . . ?
C46A C67A C68A C64A 164.0(18) 6_565 . . . ?
C47A C67A C68A C48A -76(9) 6_565 . . 6_565 ?
C66A C67A C68A C48A -30(6) . . . 6_565 ?
C18A C67A C68A C48A 112(7) . . . 6_565 ?
C49A C67A C68A C48A 103(8) 6_565 . . 6_565 ?
C28A C67A C68A C48A -14(6) 6_565 . . 6_565 ?
C46A C67A C68A C48A 134(7) 6_565 . . 6_565 ?
C48A C67A C68A C42A -113(6) 6_565 . . 6_565 ?
C47A C67A C68A C42A 171(8) 6_565 . . 6_565 ?
C66A C67A C68A C42A -143.1(14) . . . 6_565 ?
C18A C67A C68A C42A 0(2) . . . 6_565 ?
C49A C67A C68A C42A -10(2) 6_565 . . 6_565 ?
C28A C67A C68A C42A -126.6(13) 6_565 . . 6_565 ?
C46A C67A C68A C42A 21.0(13) 6_565 . . 6_565 ?
C48A C67A C68A Sc2A -18(7) 6_565 . . 6_565 ?
C47A C67A C68A Sc2A -94(7) 6_565 . . 6_565 ?
C66A C67A C68A Sc2A -48.2(10) . . . 6_565 ?
C18A C67A C68A Sc2A 94.4(11) . . . 6_565 ?
C49A C67A C68A Sc2A 84.7(14) 6_565 . . 6_565 ?
C28A C67A C68A Sc2A -31.7(11) 6_565 . . 6_565 ?
C46A C67A C68A Sc2A 115.9(13) 6_565 . . 6_565 ?
C47A C68A C69A C46A -22(6) 6_565 . . 6_565 ?
C35A C68A C69A C46A 176(3) 6_565 . . 6_565 ?
C64A C68A C69A C46A -176(3) . . . 6_565 ?
C67A C68A C69A C46A -31(3) . . . 6_565 ?
C48A C68A C69A C46A -39(3) 6_565 . . 6_565 ?
C42A C68A C69A C46A 162(5) 6_565 . . 6_565 ?
Sc2A C68A C69A C46A -133(3) 6_565 . . 6_565 ?
C47A C68A C69A C42A 176(6) 6_565 . . 6_565 ?
C46A C68A C69A C42A -162(5) 6_565 . . 6_565 ?
C35A C68A C69A C42A 14(4) 6_565 . . 6_565 ?
C64A C68A C69A C42A 22(3) . . . 6_565 ?
C67A C68A C69A C42A 167(2) . . . 6_565 ?
C48A C68A C69A C42A 159(2) 6_565 . . 6_565 ?
Sc2A C68A C69A C42A 65(3) 6_565 . . 6_565 ?
C47A C68A C69A C59A 159(6) 6_565 . . . ?
C46A C68A C69A C59A -178(3) 6_565 . . . ?
C35A C68A C69A C59A -2(2) 6_565 . . . ?
C64A C68A C69A C59A 5.7(18) . . . . ?
C67A C68A C69A C59A 150.3(11) . . . . ?
C48A C68A C69A C59A 142.9(12) 6_565 . . . ?
C42A C68A C69A C59A -17(2) 6_565 . . . ?
Sc2A C68A C69A C59A 48.6(11) 6_565 . . . ?
C47A C68A C69A C70A 14(6) 6_565 . . . ?
C46A C68A C69A C70A 36(2) 6_565 . . . ?
C35A C68A C69A C70A -147.6(17) 6_565 . . . ?
C64A C68A C69A C70A -139.6(14) . . . . ?
C67A C68A C69A C70A 5(2) . . . . ?
C48A C68A C69A C70A -2(2) 6_565 . . . ?
C42A C68A C69A C70A -162(4) 6_565 . . . ?
Sc2A C68A C69A C70A -96.7(13) 6_565 . . . ?
C47A C68A C69A C45A 7(6) 6_565 . . 6_565 ?
C46A C68A C69A C45A 29(2) 6_565 . . 6_565 ?
C35A C68A C69A C45A -155.0(17) 6_565 . . 6_565 ?
C64A C68A C69A C45A -147.0(12) . . . 6_565 ?
C67A C68A C69A C45A -2.5(17) . . . 6_565 ?
C48A C68A C69A C45A -9.8(17) 6_565 . . 6_565 ?
C42A C68A C69A C45A -169(3) 6_565 . . 6_565 ?
Sc2A C68A C69A C45A -104.1(9) 6_565 . . 6_565 ?
C47A C68A C69A C43A 104(7) 6_565 . . 6_565 ?
C46A C68A C69A C43A 127(5) 6_565 . . 6_565 ?
C35A C68A C69A C43A -57(5) 6_565 . . 6_565 ?
C64A C68A C69A C43A -49(4) . . . 6_565 ?
C67A C68A C69A C43A 95(4) . . . 6_565 ?
C48A C68A C69A C43A 88(4) 6_565 . . 6_565 ?
C42A C68A C69A C43A -71(5) 6_565 . . 6_565 ?
Sc2A C68A C69A C43A -6(4) 6_565 . . 6_565 ?
C46A C68A C69A C47A 22(6) 6_565 . . 6_565 ?
C35A C68A C69A C47A -162(7) 6_565 . . 6_565 ?
C64A C68A C69A C47A -154(7) . . . 6_565 ?
C67A C68A C69A C47A -9(5) . . . 6_565 ?
C48A C68A C69A C47A -16(5) 6_565 . . 6_565 ?
C42A C68A C69A C47A -176(6) 6_565 . . 6_565 ?
Sc2A C68A C69A C47A -111(6) 6_565 . . 6_565 ?
C47A C68A C69A C41A 161(6) 6_565 . . 6_565 ?
C46A C68A C69A C41A -176(3) 6_565 . . 6_565 ?
C35A C68A C69A C41A -0.1(19) 6_565 . . 6_565 ?
C64A C68A C69A C41A 7.8(14) . . . 6_565 ?
C67A C68A C69A C41A 152.4(12) . . . 6_565 ?
C48A C68A C69A C41A 145.1(12) 6_565 . . 6_565 ?
C42A C68A C69A C41A -14(2) 6_565 . . 6_565 ?
Sc2A C68A C69A C41A 50.7(7) 6_565 . . 6_565 ?
C42A C59A C69A C46A 125(17) 6_565 . . 6_565 ?
C41A C59A C69A C46A -2(15) 6_565 . . 6_565 ?
C58A C59A C69A C46A -154(15) . . . 6_565 ?
C60A C59A C69A C46A -14(15) . . . 6_565 ?
C43A C59A C69A C46A -171(15) 6_565 . . 6_565 ?
C40A C59A C69A C46A -54(15) 6_565 . . 6_565 ?
C41A C59A C69A C42A -127(5) 6_565 . . 6_565 ?
C58A C59A C69A C42A 81(5) . . . 6_565 ?
C60A C59A C69A C42A -139(5) . . . 6_565 ?
C43A C59A C69A C42A 64(4) 6_565 . . 6_565 ?
C40A C59A C69A C42A -179(100) 6_565 . . 6_565 ?
C42A C59A C69A C68A 132(5) 6_565 . . . ?
C41A C59A C69A C68A 5(2) 6_565 . . . ?
C58A C59A C69A C68A -146.9(12) . . . . ?
C60A C59A C69A C68A -7.2(16) . . . . ?
C43A C59A C69A C68A -164.3(13) 6_565 . . . ?
C40A C59A C69A C68A -47(3) 6_565 . . . ?
C42A C59A C69A C70A -81(5) 6_565 . . . ?
C41A C59A C69A C70A 151.6(18) 6_565 . . . ?
C58A C59A C69A C70A 0.0(15) . . . . ?
C60A C59A C69A C70A 139.7(13) . . . . ?
C43A C59A C69A C70A -17.3(10) 6_565 . . . ?
C40A C59A C69A C70A 100(2) 6_565 . . . ?
C42A C59A C69A C45A -87(5) 6_565 . . 6_565 ?
C41A C59A C69A C45A 146(2) 6_565 . . 6_565 ?
C58A C59A C69A C45A -6(2) . . . 6_565 ?
C60A C59A C69A C45A 133.8(18) . . . 6_565 ?
C43A C59A C69A C45A -23.2(16) 6_565 . . 6_565 ?
C40A C59A C69A C45A 94(3) 6_565 . . 6_565 ?
C42A C59A C69A C43A -64(4) 6_565 . . 6_565 ?
C41A C59A C69A C43A 168.9(18) 6_565 . . 6_565 ?
C58A C59A C69A C43A 17.3(8) . . . 6_565 ?
C60A C59A C69A C43A 157.0(12) . . . 6_565 ?
C40A C59A C69A C43A 117(2) 6_565 . . 6_565 ?
C42A C59A C69A C47A 137(5) 6_565 . . 6_565 ?
C41A C59A C69A C47A 9(2) 6_565 . . 6_565 ?
C58A C59A C69A C47A -142.3(15) . . . 6_565 ?
C60A C59A C69A C47A -2.6(19) . . . 6_565 ?
C43A C59A C69A C47A -159.6(16) 6_565 . . 6_565 ?
C40A C59A C69A C47A -43(3) 6_565 . . 6_565 ?
C42A C59A C69A C41A 127(5) 6_565 . . 6_565 ?
C58A C59A C69A C41A -152(2) . . . 6_565 ?
C60A C59A C69A C41A -11.9(14) . . . 6_565 ?
C43A C59A C69A C41A -168.9(18) 6_565 . . 6_565 ?
C40A C59A C69A C41A -52(2) 6_565 . . 6_565 ?
C44A C10A C70A C45A -136(8) 6_565 . . 6_565 ?
C56A C10A C70A C45A 29(7) 6_565 . . 6_565 ?
C11A C10A C70A C45A 22(5) . . . 6_565 ?
C9A C10A C70A C45A 160(5) . . . 6_565 ?
C43A C10A C70A C45A 179(5) 6_565 . . 6_565 ?
C6A C10A C70A C45A 106(5) 6_565 . . 6_565 ?
Sc1A C10A C70A C45A 111(5) 6_565 . . 6_565 ?
C56A C10A C70A C44A 165(9) 6_565 . . 6_565 ?
C11A C10A C70A C44A 158(7) . . . 6_565 ?
C9A C10A C70A C44A -63(6) . . . 6_565 ?
C43A C10A C70A C44A -45(6) 6_565 . . 6_565 ?
C45A C10A C70A C44A 136(8) 6_565 . . 6_565 ?
C6A C10A C70A C44A -117(7) 6_565 . . 6_565 ?
Sc1A C10A C70A C44A -113(6) 6_565 . . 6_565 ?
C44A C10A C70A C17A -149(6) 6_565 . . . ?
C56A C10A C70A C17A 16(4) 6_565 . . . ?
C11A C10A C70A C17A 9.3(18) . . . . ?
C9A C10A C70A C17A 147.8(12) . . . . ?
C43A C10A C70A C17A 166.4(13) 6_565 . . . ?
C45A C10A C70A C17A -13(4) 6_565 . . . ?
C6A C10A C70A C17A 94(2) 6_565 . . . ?
Sc1A C10A C70A C17A 98.7(11) 6_565 . . . ?
C44A C10A C70A C46A 66(7) 6_565 . . 6_565 ?
C56A C10A C70A C46A -129(3) 6_565 . . 6_565 ?
C11A C10A C70A C46A -136(2) . . . 6_565 ?
C9A C10A C70A C46A 2(3) . . . 6_565 ?
C43A C10A C70A C46A 21(3) 6_565 . . 6_565 ?
C45A C10A C70A C46A -158(7) 6_565 . . 6_565 ?
C6A C10A C70A C46A -52(3) 6_565 . . 6_565 ?
Sc1A C10A C70A C46A -47(3) 6_565 . . 6_565 ?
C44A C10A C70A C69A 61(7) 6_565 . . . ?
C56A C10A C70A C69A -133(3) 6_565 . . . ?
C11A C10A C70A C69A -140.5(13) . . . . ?
C9A C10A C70A C69A -2.0(19) . . . . ?
C43A C10A C70A C69A 16.6(14) 6_565 . . . ?
C45A C10A C70A C69A -162(6) 6_565 . . . ?
C6A C10A C70A C69A -56(2) 6_565 . . . ?
Sc1A C10A C70A C69A -51.1(13) 6_565 . . . ?
C44A C10A C70A C43A 45(6) 6_565 . . 6_565 ?
C56A C10A C70A C43A -150(4) 6_565 . . 6_565 ?
C11A C10A C70A C43A -157.1(15) . . . 6_565 ?
C9A C10A C70A C43A -18.6(8) . . . 6_565 ?
C45A C10A C70A C43A -179(5) 6_565 . . 6_565 ?
C6A C10A C70A C43A -73(2) 6_565 . . 6_565 ?
Sc1A C10A C70A C43A -67.7(7) 6_565 . . 6_565 ?
C44A C10A C70A C50A -152(6) 6_565 . . 6_565 ?
C56A C10A C70A C50A 13(4) 6_565 . . 6_565 ?
C11A C10A C70A C50A 6.3(17) . . . 6_565 ?
C9A C10A C70A C50A 144.8(12) . . . 6_565 ?
C43A C10A C70A C50A 163.4(12) 6_565 . . 6_565 ?
C45A C10A C70A C50A -16(4) 6_565 . . 6_565 ?
C6A C10A C70A C50A 91(2) 6_565 . . 6_565 ?
Sc1A C10A C70A C50A 95.7(11) 6_565 . . 6_565 ?
C44A C10A C70A C42A 54(6) 6_565 . . 6_565 ?
C56A C10A C70A C42A -141(3) 6_565 . . 6_565 ?
C11A C10A C70A C42A -147.8(11) . . . 6_565 ?
C9A C10A C70A C42A -9.3(14) . . . 6_565 ?
C43A C10A C70A C42A 9.3(8) 6_565 . . 6_565 ?
C45A C10A C70A C42A -170(5) 6_565 . . 6_565 ?
C6A C10A C70A C42A -63(2) 6_565 . . 6_565 ?
Sc1A C10A C70A C42A -58.4(8) 6_565 . . 6_565 ?
C50A C17A C70A C45A 117(16) 6_565 . . 6_565 ?
C18A C17A C70A C45A 45(6) . . . 6_565 ?
C16A C17A C70A C45A -169(6) . . . 6_565 ?
C49A C17A C70A C45A 54(6) 6_565 . . 6_565 ?
C51A C17A C70A C45A -175(6) 6_565 . . 6_565 ?
C44A C17A C70A C45A -154(7) 6_565 . . 6_565 ?
C50A C17A C70A C44A -89(14) 6_565 . . 6_565 ?
C45A C17A C70A C44A 154(7) 6_565 . . 6_565 ?
C18A C17A C70A C44A -161(2) . . . 6_565 ?
C16A C17A C70A C44A -15(2) . . . 6_565 ?
C49A C17A C70A C44A -153(2) 6_565 . . 6_565 ?
C51A C17A C70A C44A -22(3) 6_565 . . 6_565 ?
C50A C17A C70A C10A -81(14) 6_565 . . . ?
C45A C17A C70A C10A 162(6) 6_565 . . . ?
C18A C17A C70A C10A -152.9(15) . . . . ?
C16A C17A C70A C10A -7.2(17) . . . . ?
C49A C17A C70A C10A -144.5(17) 6_565 . . . ?
C51A C17A C70A C10A -13(2) 6_565 . . . ?
C44A C17A C70A C10A 8.1(18) 6_565 . . . ?
C50A C17A C70A C46A 83(14) 6_565 . . 6_565 ?
C45A C17A C70A C46A -34(5) 6_565 . . 6_565 ?
C18A C17A C70A C46A 11.1(17) . . . 6_565 ?
C16A C17A C70A C46A 156.8(13) . . . 6_565 ?
C49A C17A C70A C46A 20(2) 6_565 . . 6_565 ?
C51A C17A C70A C46A 150.5(15) 6_565 . . 6_565 ?
C44A C17A C70A C46A 172(3) 6_565 . . 6_565 ?
C50A C17A C70A C69A 71(14) 6_565 . . . ?
C45A C17A C70A C69A -46(5) 6_565 . . . ?
C18A C17A C70A C69A 0(2) . . . . ?
C16A C17A C70A C69A 145.6(14) . . . . ?
C49A C17A C70A C69A 8(2) 6_565 . . . ?
C51A C17A C70A C69A 139.3(15) 6_565 . . . ?
C44A C17A C70A C69A 161(3) 6_565 . . . ?
C50A C17A C70A C43A -31(14) 6_565 . . 6_565 ?
C45A C17A C70A C43A -148(8) 6_565 . . 6_565 ?
C18A C17A C70A C43A -102(3) . . . 6_565 ?
C16A C17A C70A C43A 43(4) . . . 6_565 ?
C49A C17A C70A C43A -94(3) 6_565 . . 6_565 ?
C51A C17A C70A C43A 37(4) 6_565 . . 6_565 ?
C44A C17A C70A C43A 59(3) 6_565 . . 6_565 ?
C45A C17A C70A C50A -117(16) 6_565 . . 6_565 ?
C18A C17A C70A C50A -72(14) . . . 6_565 ?
C16A C17A C70A C50A 74(14) . . . 6_565 ?
C49A C17A C70A C50A -63(14) 6_565 . . 6_565 ?
C51A C17A C70A C50A 68(14) 6_565 . . 6_565 ?
C44A C17A C70A C50A 89(14) 6_565 . . 6_565 ?
C50A C17A C70A C42A 63(14) 6_565 . . 6_565 ?
C45A C17A C70A C42A -54(5) 6_565 . . 6_565 ?
C18A C17A C70A C42A -8(2) . . . 6_565 ?
C16A C17A C70A C42A 137.4(15) . . . 6_565 ?
C49A C17A C70A C42A 0(3) 6_565 . . 6_565 ?
C51A C17A C70A C42A 131.1(15) 6_565 . . 6_565 ?
C44A C17A C70A C42A 153(3) 6_565 . . 6_565 ?
C46A C69A C70A C45A 7(4) 6_565 . . 6_565 ?
C42A C69A C70A C45A 174(3) 6_565 . . 6_565 ?
C68A C69A C70A C45A -22(4) . . . 6_565 ?
C59A C69A C70A C45A -168(3) . . . 6_565 ?
C43A C69A C70A C45A 176(3) 6_565 . . 6_565 ?
C47A C69A C70A C45A -19(3) 6_565 . . 6_565 ?
C41A C69A C70A C45A -149(3) 6_565 . . 6_565 ?
C46A C69A C70A C44A -171(3) 6_565 . . 6_565 ?
C42A C69A C70A C44A -5(3) 6_565 . . 6_565 ?
C68A C69A C70A C44A 159.7(19) . . . 6_565 ?
C59A C69A C70A C44A 14(2) . . . 6_565 ?
C45A C69A C70A C44A -178(5) 6_565 . . 6_565 ?
C43A C69A C70A C44A -2.2(17) 6_565 . . 6_565 ?
C47A C69A C70A C44A 162.4(18) 6_565 . . 6_565 ?
C41A C69A C70A C44A 33(3) 6_565 . . 6_565 ?
C46A C69A C70A C10A 175(3) 6_565 . . . ?
C42A C69A C70A C10A -19(3) 6_565 . . . ?
C68A C69A C70A C10A 145.9(14) . . . . ?
C59A C69A C70A C10A 0.1(19) . . . . ?
C45A C69A C70A C10A 168(4) 6_565 . . . ?
C43A C69A C70A C10A -16.0(13) 6_565 . . . ?
C47A C69A C70A C10A 148.7(13) 6_565 . . . ?
C41A C69A C70A C10A 19(2) 6_565 . . . ?
C46A C69A C70A C17A 28(3) 6_565 . . . ?
C42A C69A C70A C17A -166(2) 6_565 . . . ?
C68A C69A C70A C17A -1(2) . . . . ?
C59A C69A C70A C17A -147.2(12) . . . . ?
C45A C69A C70A C17A 20(3) 6_565 . . . ?
C43A C69A C70A C17A -163.3(14) 6_565 . . . ?
C47A C69A C70A C17A 1.3(19) 6_565 . . . ?
C41A C69A C70A C17A -128.4(15) 6_565 . . . ?
C42A C69A C70A C46A 166(4) 6_565 . . 6_565 ?
C68A C69A C70A C46A -29(2) . . . 6_565 ?
C59A C69A C70A C46A -175(3) . . . 6_565 ?
C45A C69A C70A C46A -7(4) 6_565 . . 6_565 ?
C43A C69A C70A C46A 169(3) 6_565 . . 6_565 ?
C47A C69A C70A C46A -27(2) 6_565 . . 6_565 ?
C41A C69A C70A C46A -156(4) 6_565 . . 6_565 ?
C46A C69A C70A C43A -169(3) 6_565 . . 6_565 ?
C42A C69A C70A C43A -3(2) 6_565 . . 6_565 ?
C68A C69A C70A C43A 161.9(16) . . . 6_565 ?
C59A C69A C70A C43A 16.1(9) . . . 6_565 ?
C45A C69A C70A C43A -176(3) 6_565 . . 6_565 ?
C47A C69A C70A C43A 164.7(13) 6_565 . . 6_565 ?
C41A C69A C70A C43A 34.9(14) 6_565 . . 6_565 ?
C46A C69A C70A C50A 31(3) 6_565 . . 6_565 ?
C42A C69A C70A C50A -163(2) 6_565 . . 6_565 ?
C68A C69A C70A C50A 2(2) . . . 6_565 ?
C59A C69A C70A C50A -144.1(12) . . . 6_565 ?
C45A C69A C70A C50A 23(2) 6_565 . . 6_565 ?
C43A C69A C70A C50A -160.3(13) 6_565 . . 6_565 ?
C47A C69A C70A C50A 4.4(18) 6_565 . . 6_565 ?
C41A C69A C70A C50A -125.4(15) 6_565 . . 6_565 ?
C46A C69A C70A C42A -166(4) 6_565 . . 6_565 ?
C68A C69A C70A C42A 165(3) . . . 6_565 ?
C59A C69A C70A C42A 18.8(17) . . . 6_565 ?
C45A C69A C70A C42A -174(3) 6_565 . . 6_565 ?
C43A C69A C70A C42A 3(2) 6_565 . . 6_565 ?
C47A C69A C70A C42A 167(3) 6_565 . . 6_565 ?
C41A C69A C70A C42A 37.6(17) 6_565 . . 6_565 ?
C2P C1P C2P N1P -2.3(8) 6_565 . . . ?
C2P C1P C2P C3P 176.4(3) 6_565 . . . ?
C5P N1P C2P C1P 179.0(4) . . . . ?
Ni1P N1P C2P C1P 1.6(5) . . . . ?
C5P N1P C2P C3P 0.2(4) . . . . ?
Ni1P N1P C2P C3P -177.2(2) . . . . ?
C1P C2P C3P C4P -179.0(4) . . . . ?
N1P C2P C3P C4P -0.1(4) . . . . ?
C1P C2P C3P C12P -0.8(6) . . . . ?
N1P C2P C3P C12P 178.1(3) . . . . ?
C2P C3P C4P C5P 0.0(4) . . . . ?
C12P C3P C4P C5P -178.0(4) . . . . ?
C2P C3P C4P C14P 176.2(4) . . . . ?
C12P C3P C4P C14P -1.9(7) . . . . ?
C2P N1P C5P C6P -179.1(3) . . . . ?
Ni1P N1P C5P C6P -1.7(5) . . . . ?
C2P N1P C5P C4P -0.2(4) . . . . ?
Ni1P N1P C5P C4P 177.3(2) . . . . ?
C3P C4P C5P C6P 179.0(3) . . . . ?
C14P C4P C5P C6P 2.7(6) . . . . ?
C3P C4P C5P N1P 0.1(4) . . . . ?
C14P C4P C5P N1P -176.2(3) . . . . ?
N1P C5P C6P C7P 2.8(6) . . . . ?
C4P C5P C6P C7P -175.9(4) . . . . ?
C5P C6P C7P N2P -2.9(6) . . . . ?
C5P C6P C7P C8P 177.0(4) . . . . ?
C10P N2P C7P C6P 179.8(4) . . . . ?
Ni1P N2P C7P C6P 1.8(5) . . . . ?
C10P N2P C7P C8P -0.1(4) . . . . ?
Ni1P N2P C7P C8P -178.2(2) . . . . ?
C6P C7P C8P C9P -179.5(4) . . . . ?
N2P C7P C8P C9P 0.5(5) . . . . ?
C6P C7P C8P C16P -2.1(7) . . . . ?
N2P C7P C8P C16P 177.8(4) . . . . ?
C7P C8P C9P C10P -0.6(5) . . . . ?
C16P C8P C9P C10P -177.8(5) . . . . ?
C7P C8P C9P C18P 176.8(5) . . . . ?
C16P C8P C9P C18P -0.4(9) . . . . ?
C7P N2P C10P C11P -178.7(4) . . . . ?
Ni1P N2P C10P C11P -0.7(6) . . . . ?
C7P N2P C10P C9P -0.2(4) . . . . ?
Ni1P N2P C10P C9P 177.7(3) . . . . ?
C8P C9P C10P C11P 179.0(5) . . . . ?
C18P C9P C10P C11P 1.4(8) . . . . ?
C8P C9P C10P N2P 0.6(5) . . . . ?
C18P C9P C10P N2P -177.0(5) . . . . ?
N2P C10P C11P C10P 1.7(10) . . . 6_565 ?
C9P C10P C11P C10P -176.5(4) . . . 6_565 ?
C4P C3P C12P C13P 95.8(5) . . . . ?
C2P C3P C12P C13P -82.0(6) . . . . ?
C3P C4P C14P C15P -93.6(6) . . . . ?
C5P C4P C14P C15P 81.9(6) . . . . ?
C9P C8P C16P C17P 102.2(7) . . . . ?
C7P C8P C16P C17P -74.6(7) . . . . ?
C8P C9P C18P C19P -92.6(8) . . . . ?
C10P C9P C18P C19P 84.5(9) . . . . ?
C2S C1S C2S C3S -1.4(15) 6_565 . . . ?
C5S C1S C2S C3S 175.6(9) . . . . ?
C1S C2S C3S C4S 1.1(12) . . . . ?
C2S C3S C4S C3S -1.0(13) . . . 6_565 ?
C8S C6S C7S C8S 0.000(15) 5_657 . . . ?
C6S C7S C8S C6S 0.000(15) . . . 5_657 ?

_refine_diff_density_max         0.873
_refine_diff_density_min         -1.187
_refine_diff_density_rms         0.095


