# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_Y2C2C88-26
_database_code_depnum_ccdc_archive 'CCDC 1528590'
_audit_update_record             
;
2017-01-19 deposited with the CCDC.	2019-03-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C138 H56 N4 Ni S0 Y2'
_chemical_formula_weight         2006.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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                   25.436(5)
_cell_length_b                   15.433(3)
_cell_length_c                   20.238(4)
_cell_angle_alpha                90
_cell_angle_beta                 92.993(6)
_cell_angle_gamma                90
_cell_volume                     7934(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9912
_cell_measurement_theta_min      2.965
_cell_measurement_theta_max      26.290

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_F_000             4072
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    1.758
_shelx_estimated_absorpt_T_min   0.902
_shelx_estimated_absorpt_T_max   0.949
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6848
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            45748
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.966
_diffrn_reflns_theta_max         25.451
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7601
_reflns_number_gt                5389
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.1667P)²+70.6751P] 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         7601
_refine_ls_number_parameters     1091
_refine_ls_number_restraints     1088
_refine_ls_R_factor_all          0.1430
_refine_ls_R_factor_gt           0.1066
_refine_ls_wR_factor_ref         0.3237
_refine_ls_wR_factor_gt          0.2841
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.061
_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
C1 C 0.8696(13) 0.5392(17) 0.7628(17) 0.137(9) Uani 0.5 1 d D U P A -1
C2 C 0.7562(16) 0.247(2) 0.6447(19) 0.144(10) Uani 0.5 1 d D U P A -1
C3 C 0.6161(13) 0.725(2) 0.5935(18) 0.112(7) Uani 0.5 1 d . U P A -1
C4 C 0.5991(14) 0.733(2) 0.663(2) 0.112(8) Uani 0.5 1 d . U P A -1
C6 C 0.8435(10) 0.609(2) 0.6530(15) 0.116(7) Uani 0.5 1 d . U P A -1
C7 C 0.6412(12) 0.717(2) 0.7752(14) 0.138(8) Uani 0.5 1 d D U P A -1
C8 C 0.8047(13) 0.297(2) 0.6601(16) 0.129(8) Uani 0.5 1 d D U P A -1
C9 C 0.5884(12) 0.591(2) 0.5220(16) 0.135(8) Uani 0.5 1 d D U P A -1
C10 C 0.7246(14) 0.230(2) 0.7048(16) 0.151(10) Uani 0.5 1 d D U P A -1
C11 C 0.7151(15) 0.280(2) 0.8154(16) 0.143(9) Uani 0.5 1 d D U P A -1
C12 C 0.7504(13) 0.740(3) 0.7823(15) 0.126(9) Uani 0.5 1 d D U P A -1
C13 C 0.7476(12) 0.774(2) 0.7108(13) 0.122(8) Uani 0.5 1 d D U P A -1
C14 C 0.7730(16) 0.673(2) 0.577(2) 0.125(8) Uani 0.5 1 d D U P A -1
C15 C 0.781(2) 0.646(3) 0.8559(19) 0.122(9) Uani 0.5 1 d . U P A -1
C16 C 0.6957(11) 0.737(2) 0.8090(15) 0.110(8) Uani 0.5 1 d D U P A -1
C17 C 0.7315(15) 0.620(3) 0.8794(13) 0.106(8) Uani 0.5 1 d . U P A -1
C18 C 0.550(2) 0.606(3) 0.6034(19) 0.132(8) Uani 0.5 1 d D U P A -1
C19 C 0.7544(12) 0.733(2) 0.6082(18) 0.131(9) Uani 0.5 1 d D U P A -1
C20 C 0.6586(15) 0.724(2) 0.5681(19) 0.121(8) Uani 0.5 1 d D U P A -1
C21 C 0.7765(12) 0.738(2) 0.6750(19) 0.132(9) Uani 0.5 1 d D U P A -1
C23 C 0.6086(13) 0.429(2) 0.5019(12) 0.115(7) Uani 0.5 1 d D U P A -1
C24 C 0.7662(10) 0.472(2) 0.8955(9) 0.108(8) Uani 0.5 1 d . U P A -1
C25 C 0.8579(11) 0.453(2) 0.7853(13) 0.136(9) Uani 0.5 1 d D U P A -1
C26 C 0.6447(15) 0.614(3) 0.4957(13) 0.119(7) Uani 0.5 1 d . U P A -1
C27 C 0.5963(12) 0.283(2) 0.710(2) 0.143(8) Uani 0.5 1 d D U P A -1
C28 C 0.7152(16) 0.347(3) 0.8632(19) 0.129(9) Uani 0.5 1 d D U P A -1
C29 C 0.8331(10) 0.448(2) 0.6043(18) 0.125(8) Uani 0.5 1 d D U P A -1
C30 C 0.6741(15) 0.543(3) 0.473(2) 0.112(8) Uani 0.5 1 d D U P A -1
C31 C 0.6604(15) 0.272(2) 0.8105(18) 0.165(10) Uani 0.5 1 d D U P A -1
C32 C 0.6305(12) 0.548(2) 0.8499(14) 0.132(8) Uani 0.5 1 d D U P A -1
C33 C 0.6517(14) 0.457(3) 0.4786(19) 0.108(8) Uani 0.5 1 d D U P A -1
C34 C 0.5849(16) 0.314(3) 0.590(2) 0.148(10) Uani 0.5 1 d D U P A -1
C35 C 0.6919(10) 0.787(2) 0.6793(14) 0.109(7) Uani 0.5 1 d D U P A -1
C36 C 0.609(2) 0.258(3) 0.634(3) 0.143(10) Uani 0.5 1 d D U P A -1
C37 C 0.6889(15) 0.272(2) 0.569(2) 0.124(9) Uani 0.5 1 d D U P A -1
C38 C 0.5452(10) 0.4564(19) 0.5765(14) 0.134(8) Uani 0.5 1 d D U P A -1
C39 C 0.8138(16) 0.5869(17) 0.8541(16) 0.141(9) Uani 0.5 1 d D U P A -1
C40 C 0.5464(10) 0.4015(15) 0.6875(14) 0.144(8) Uani 0.5 1 d D U P A -1
C41 C 0.6688(10) 0.398(2) 0.8663(11) 0.112(7) Uani 0.5 1 d D U P A -1
C42 C 0.7621(15) 0.390(3) 0.8787(16) 0.118(8) Uani 0.5 1 d . U P A -1
C43 C 0.5811(16) 0.654(3) 0.5606(19) 0.131(9) Uani 0.5 1 d . U P A -1
C44 C 0.5334(7) 0.5316(16) 0.6226(12) 0.119(8) Uani 0.5 1 d D U P A -1
C45 C 0.5657(14) 0.628(2) 0.7430(17) 0.129(8) Uani 0.5 1 d D U P A -1
C46 C 0.6378(11) 0.762(2) 0.7048(15) 0.129(8) Uani 0.5 1 d D U P A -1
C47 C 0.6331(15) 0.618(3) 0.835(2) 0.127(8) Uani 0.5 1 d D U P A -1
C48 C 0.6949(14) 0.391(3) 0.4933(11) 0.106(6) Uani 0.5 1 d . U P A -1
C49 C 0.6716(10) 0.481(3) 0.8787(9) 0.112(8) Uani 0.5 1 d . U P A -1
C50 C 0.5885(12) 0.406(3) 0.7945(15) 0.145(8) Uani 0.5 1 d D U P A -1
C51 C 0.6145(13) 0.344(2) 0.5304(12) 0.112(7) Uani 0.5 1 d D U P A -1
C52 C 0.6602(16) 0.324(3) 0.522(2) 0.123(9) Uani 0.5 1 d D U P A -1
C53 C 0.7327(15) 0.282(2) 0.5804(18) 0.153(10) Uani 0.5 1 d D U P A -1
C54 C 0.8272(19) 0.318(3) 0.721(2) 0.125(9) Uani 0.5 1 d D U P A -1
C55 C 0.5610(9) 0.6671(19) 0.6693(18) 0.109(6) Uani 0.5 1 d . U P A -1
C56 C 0.5496(17) 0.373(2) 0.6172(16) 0.136(9) Uani 0.5 1 d D U P A -1
C57 C 0.7009(11) 0.7628(14) 0.6107(14) 0.101(6) Uani 0.5 1 d D U P A -1
C58 C 0.8576(8) 0.3987(15) 0.7314(15) 0.110(6) Uani 0.5 1 d D U P A -1
C59 C 0.7464(15) 0.242(3) 0.7692(19) 0.156(10) Uani 0.5 1 d D U P A -1
C60 C 0.7475(12) 0.410(2) 0.5140(13) 0.119(8) Uani 0.5 1 d D U P A -1
C61 C 0.7307(13) 0.643(2) 0.5236(15) 0.105(7) Uani 0.5 1 d . U P A -1
C62 C 0.8457(11) 0.601(2) 0.8003(18) 0.140(9) Uani 0.5 1 d D U P A -1
C63 C 0.7871(14) 0.698(2) 0.8080(15) 0.104(8) Uani 0.5 1 d . U P A -1
C65 C 0.8351(13) 0.662(2) 0.7594(19) 0.120(8) Uani 0.5 1 d . U P A -1
C66 C 0.6859(14) 0.674(3) 0.5211(19) 0.108(8) Uani 0.5 1 d . U P A -1
C68 C 0.7688(14) 0.350(2) 0.5553(14) 0.120(9) Uani 0.5 1 d D U P A -1
C69 C 0.8670(17) 0.538(2) 0.6940(17) 0.123(8) Uani 0.5 1 d D U P A -1
C71 C 0.6337(18) 0.349(2) 0.824(2) 0.149(10) Uani 0.5 1 d D U P A -1
C72 C 0.8086(12) 0.591(2) 0.5891(17) 0.136(8) Uani 0.5 1 d D U P A -1
C73 C 0.5726(18) 0.361(2) 0.725(2) 0.155(10) Uani 0.5 1 d D U P A -1
C74 C 0.6084(10) 0.677(2) 0.7881(14) 0.103(6) Uani 0.5 1 d . U P A -1
C75 C 0.6362(12) 0.2425(18) 0.751(2) 0.154(9) Uani 0.5 1 d D U P A -1
C76 C 0.6895(14) 0.668(3) 0.8554(18) 0.120(8) Uani 0.5 1 d . U P A -1
C77 C 0.8579(17) 0.450(2) 0.6733(14) 0.128(9) Uani 0.5 1 d D U P A -1
C78 C 0.6711(15) 0.214(2) 0.7026(18) 0.148(9) Uani 0.5 1 d D U P A -1
C79 C 0.8360(11) 0.434(3) 0.8438(15) 0.138(9) Uani 0.5 1 d D U P A -1
C80 C 0.8135(11) 0.354(2) 0.6054(15) 0.136(8) Uani 0.5 1 d D U P A -1
C81 C 0.797(2) 0.294(3) 0.776(2) 0.137(9) Uani 0.5 1 d . U P A -1
C82 C 0.8247(16) 0.676(3) 0.6978(18) 0.127(9) Uani 0.5 1 d D U P A -1
C83 C 0.8031(10) 0.520(3) 0.5637(13) 0.130(8) Uani 0.5 1 d . U P A -1
C84 C 0.8030(15) 0.351(4) 0.833(2) 0.132(9) Uani 0.5 1 d . U P A -1
C85 C 0.5588(7) 0.5462(14) 0.7390(12) 0.107(6) Uani 0.5 1 d D U P A -1
C86 C 0.7226(11) 0.532(2) 0.8957(9) 0.118(8) Uani 0.5 1 d . U P A -1
C87 C 0.7237(13) 0.552(2) 0.4910(12) 0.107(7) Uani 0.5 1 d D U P A -1
C88 C 0.6601(19) 0.2323(17) 0.629(2) 0.139(8) Uani 0.5 1 d . U P A -1
C5 C 0.5377(5) 0.5000 0.6920(9) 0.113(5) Uani 1 2 d DS TU P . .
C22 C 0.7608(10) 0.5000 0.5137(11) 0.136(6) Uani 1 2 d S TU P . .
C64 C 0.5740(7) 0.5000 0.5219(8) 0.128(6) Uani 1 2 d S TU P . .
C67 C 0.5903(6) 0.5000 0.8009(9) 0.130(6) Uani 1 2 d DS TU P . .
C70 C 0.8098(12) 0.5000 0.8745(13) 0.162(8) Uani 1 2 d DS TU P . .
Y1 Y 0.68781(11) 0.63347(18) 0.7262(2) 0.1439(15) Uani 0.5 1 d . . P B 2
Y2 Y 0.6746(3) 0.36863(19) 0.6663(3) 0.213(2) Uani 0.5 1 d . . P B 2
C89 C 0.6965(6) 0.5000 0.6568(6) 0.085(4) Uani 1 2 d S T P B 2
C90 C 0.7261(5) 0.5000 0.7006(7) 0.073(3) Uani 1 2 d S T P B 2
C91 C 0.7257(3) 0.6333(6) 1.0593(4) 0.068(2) Uani 1 1 d . . . C 3
H91A H 0.7478 0.6755 1.0839 0.102 Uiso 1 1 calc R U . C 3
H91B H 0.7108 0.6600 1.0185 0.102 Uiso 1 1 calc R U . C 3
H91C H 0.7470 0.5830 1.0481 0.102 Uiso 1 1 calc R U . C 3
C92 C 0.6807(2) 0.6040(5) 1.1021(3) 0.0478(15) Uani 1 1 d . . . C 3
H92A H 0.6957 0.5744 1.1422 0.057 Uiso 1 1 calc R U . C 3
H92B H 0.6610 0.6555 1.1164 0.057 Uiso 1 1 calc R U . C 3
C93 C 0.64390(19) 0.5439(4) 1.0647(3) 0.0410(13) Uani 1 1 d . . . C 3
C94 C 0.60260(19) 0.5704(4) 1.0171(3) 0.0367(12) Uani 1 1 d . . . C 3
C95 C 0.5910(2) 0.6550(4) 1.0032(3) 0.0388(13) Uani 1 1 d . . . C 3
H95 H 0.6098 0.6984 1.0280 0.047 Uiso 1 1 calc R U . C 3
C96 C 0.5538(2) 0.6815(4) 0.9553(3) 0.0373(12) Uani 1 1 d . . . C 3
C97 C 0.5433(2) 0.7710(4) 0.9395(3) 0.0429(14) Uani 1 1 d . . . C 3
C98 C 0.5714(3) 0.8468(4) 0.9717(4) 0.0559(17) Uani 1 1 d . . . C 3
H98A H 0.5758 0.8361 1.0199 0.067 Uiso 1 1 calc R U . C 3
H98B H 0.5494 0.8993 0.9650 0.067 Uiso 1 1 calc R U . C 3
C99 C 0.6258(3) 0.8634(6) 0.9442(5) 0.076(2) Uani 1 1 d . . . C 3
H99A H 0.6434 0.9107 0.9691 0.114 Uiso 1 1 calc R U . C 3
H99B H 0.6214 0.8795 0.8974 0.114 Uiso 1 1 calc R U . C 3
H99C H 0.6472 0.8108 0.9487 0.114 Uiso 1 1 calc R U . C 3
C100 C 0.5052(2) 0.7709(4) 0.8900(3) 0.0443(14) Uani 1 1 d . . . C 3
C101 C 0.4809(3) 0.8474(4) 0.8534(4) 0.0563(17) Uani 1 1 d . . . C 3
H10A H 0.4862 0.9000 0.8809 0.068 Uiso 1 1 calc R U . C 3
H10B H 0.4425 0.8377 0.8467 0.068 Uiso 1 1 calc R U . C 3
C102 C 0.5041(3) 0.8627(6) 0.7863(5) 0.078(2) Uani 1 1 d . . . C 3
H10C H 0.4877 0.9139 0.7654 0.117 Uiso 1 1 calc R U . C 3
H10D H 0.4974 0.8120 0.7579 0.117 Uiso 1 1 calc R U . C 3
H10E H 0.5422 0.8720 0.7925 0.117 Uiso 1 1 calc R U . C 3
C103 C 0.49229(19) 0.6819(4) 0.8770(3) 0.0370(12) Uani 1 1 d . . . C 3
C104 C 0.4545(2) 0.6550(4) 0.8300(3) 0.0398(13) Uani 1 1 d . . . C 3
H104 H 0.4349 0.6983 0.8062 0.048 Uiso 1 1 calc R U . C 3
C105 C 0.44344(19) 0.5707(4) 0.8154(3) 0.0354(12) Uani 1 1 d . . . C 3
C106 C 0.4064(2) 0.5434(4) 0.7630(3) 0.0399(13) Uani 1 1 d . . . C 3
C107 C 0.3764(2) 0.6046(5) 0.7166(3) 0.0518(16) Uani 1 1 d . . . C 3
H10F H 0.3613 0.6518 0.7428 0.062 Uiso 1 1 calc R U . C 3
H10G H 0.3468 0.5728 0.6940 0.062 Uiso 1 1 calc R U . C 3
C108 C 0.4107(3) 0.6442(5) 0.6644(3) 0.0619(19) Uani 1 1 d . . . C 3
H10H H 0.3892 0.6825 0.6354 0.093 Uiso 1 1 calc R U . C 3
H10I H 0.4254 0.5978 0.6379 0.093 Uiso 1 1 calc R U . C 3
H10J H 0.4394 0.6775 0.6863 0.093 Uiso 1 1 calc R U . C 3
N1 N 0.5775(2) 0.5000 0.9885(3) 0.0323(14) Uani 1 2 d S T P C 3
N2 N 0.52226(15) 0.6267(3) 0.9169(2) 0.0343(10) Uani 1 1 d . . . C 3
N3 N 0.4669(2) 0.5000 0.8467(3) 0.0351(14) Uani 1 2 d S T P C 3
Ni Ni 0.52135(3) 0.5000 0.91838(5) 0.0326(3) Uani 1 2 d S T P C 3
C1A C 0.7748(4) 0.5000 0.3308(5) 0.055(2) Uani 1 2 d S T P D 4
H1A H 0.7475 0.5000 0.3611 0.066 Uiso 1 2 calc R U P D 4
C2A C 0.8298(7) 0.5000 0.3483(7) 0.093(4) Uani 1 2 d S T P D 4
H2A H 0.8402 0.5000 0.3941 0.111 Uiso 1 2 calc R U P D 4
C3A C 0.8698(6) 0.5000 0.3026(10) 0.096(5) Uani 1 2 d S T P D 4
H3A H 0.9059 0.5000 0.3170 0.116 Uiso 1 2 calc R U P D 4
C4A C 0.8544(6) 0.5000 0.2359(8) 0.087(4) Uani 1 2 d S T P D 4
H4A H 0.8811 0.5000 0.2049 0.104 Uiso 1 2 calc R U P D 4
C5A C 0.8046(4) 0.5000 0.2127(5) 0.061(3) Uani 1 2 d S T P D 4
H5A H 0.7950 0.5000 0.1667 0.073 Uiso 1 2 calc R U P D 4
C6A C 0.7674(5) 0.5000 0.2614(6) 0.073(3) Uani 1 2 d S T P D 4
H6A H 0.7317 0.5000 0.2450 0.087 Uiso 1 2 calc R U P D 4
C115 C 0.5349(7) 0.8258(16) 0.4362(14) 0.114(9) Uani 0.5 1 d G U P E -2
H115 H 0.5651 0.7940 0.4252 0.137 Uiso 0.5 1 calc R U P E -2
C118 C 0.5159(12) 0.892(2) 0.3951(11) 0.229(15) Uani 0.5 1 d G U P E -2
H118 H 0.5333 0.9057 0.3559 0.275 Uiso 0.5 1 calc R U P E -2
C119 C 0.4716(13) 0.9387(17) 0.4112(18) 0.31(2) Uani 0.5 1 d G U P E -2
H119 H 0.4587 0.9841 0.3831 0.376 Uiso 0.5 1 calc R U P E -2
C117 C 0.4463(9) 0.919(2) 0.469(2) 0.289(19) Uani 0.5 1 d G U P E -2
H117 H 0.4160 0.9508 0.4796 0.346 Uiso 0.5 1 calc R U P E -2
C116 C 0.4652(11) 0.853(2) 0.5097(14) 0.284(18) Uani 0.5 1 d G U P E -2
H116 H 0.4479 0.8391 0.5488 0.341 Uiso 0.5 1 calc R U P E -2
C114 C 0.5095(11) 0.8060(16) 0.4935(13) 0.248(15) Uani 0.5 1 d G U P E -2
H114 H 0.5224 0.7607 0.5216 0.298 Uiso 0.5 1 calc R U P E -2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C62 1.38(2) . ?
C1 C69 1.39(2) . ?
C1 C25 1.44(2) . ?
C2 C8 1.48(3) . ?
C2 C53 1.50(3) . ?
C2 C10 1.52(5) . ?
C3 C20 1.22(4) . ?
C3 C4 1.49(5) . ?
C3 C43 1.54(6) . ?
C4 C46 1.34(5) . ?
C4 C55 1.42(5) . ?
C6 C82 1.47(5) . ?
C6 C69 1.47(4) . ?
C6 C72 1.56(4) . ?
C7 C74 1.07(4) . ?
C7 C16 1.54(3) . ?
C7 C46 1.58(2) . ?
C7 C47 1.96(5) . ?
C8 C54 1.37(5) . ?
C8 C80 1.44(3) . ?
C9 C43 1.27(5) . ?
C9 C64 1.46(4) . ?
C9 C26 1.59(5) . ?
C9 C18 1.97(6) . ?
C10 C78 1.38(2) . ?
C10 C59 1.40(2) . ?
C11 C59 1.39(2) . ?
C11 C31 1.39(2) . ?
C11 C28 1.42(2) . ?
C12 C63 1.22(5) . ?
C12 C16 1.52(2) . ?
C12 C13 1.54(2) . ?
C13 C21 1.20(5) . ?
C13 C35 1.54(2) . ?
C14 C19 1.23(5) . ?
C14 C61 1.56(5) . ?
C14 C72 1.57(4) . ?
C15 C39 1.23(5) . ?
C15 C63 1.28(6) . ?
C15 C17 1.43(6) . ?
C16 C76 1.44(4) . ?
C17 C76 1.36(4) . ?
C17 C86 1.42(5) . ?
C18 C44 1.29(5) . ?
C18 C43 1.41(5) . ?
C18 C55 1.65(5) . ?
C19 C57 1.44(3) . ?
C19 C21 1.44(5) . ?
C20 C66 1.43(7) . ?
C20 C57 1.47(5) . ?
C21 C82 1.61(5) . ?
C23 C33 1.29(5) . ?
C23 C51 1.44(3) . ?
C23 C64 1.47(3) . ?
C24 C70 1.28(3) . ?
C24 C42 1.31(5) . ?
C24 C86 1.44(3) . ?
C25 C79 1.37(2) . ?
C25 C58 1.38(2) . ?
C26 C30 1.41(6) . ?
C26 C66 1.48(7) . ?
C27 C73 1.39(5) . ?
C27 C75 1.42(2) . ?
C27 C36 1.63(6) . ?
C28 C42 1.39(6) . ?
C28 C41 1.43(2) . ?
C29 C77 1.50(4) . ?
C29 C80 1.53(5) . ?
C29 C83 1.56(5) . ?
C30 C87 1.30(5) . ?
C30 C33 1.44(4) . ?
C31 C75 1.41(2) . ?
C31 C71 1.41(2) . ?
C32 C47 1.13(4) . ?
C32 C49 1.56(4) . ?
C32 C67 1.57(4) . ?
C33 C48 1.52(5) . ?
C34 C36 1.36(7) . ?
C34 C56 1.41(3) . ?
C34 C51 1.53(5) . ?
C35 C57 1.47(4) . ?
C35 C46 1.55(2) . ?
C36 C88 1.36(6) . ?
C37 C53 1.13(5) . ?
C37 C52 1.42(7) . ?
C37 C88 1.57(5) . ?
C38 C64 1.51(3) . ?
C38 C44 1.53(2) . ?
C38 C56 1.54(3) . ?
C39 C62 1.408(19) . ?
C39 C70 1.41(2) . ?
C40 C73 1.16(5) . ?
C40 C56 1.50(3) . ?
C40 C5 1.54(2) . ?
C41 C49 1.30(5) . ?
C41 C71 1.43(2) . ?
C42 C84 1.55(5) . ?
C44 C5 1.48(2) . ?
C45 C85 1.27(4) . ?
C45 C74 1.58(5) . ?
C45 C55 1.61(5) . ?
C47 C74 1.44(5) . ?
C47 C76 1.66(5) . ?
C48 C60 1.41(5) . ?
C48 C52 1.50(6) . ?
C49 C86 1.54(4) . ?
C50 C67 1.46(4) . ?
C50 C71 1.54(5) . ?
C50 C73 1.61(6) . ?
C51 C52 1.22(5) . ?
C53 C68 1.50(3) . ?
C54 C81 1.42(6) . ?
C54 C58 1.48(5) . ?
C58 C77 1.42(2) . ?
C59 C81 1.52(7) . ?
C60 C68 1.35(4) . ?
C60 C22 1.43(4) . ?
C61 C66 1.24(4) . ?
C61 C87 1.55(5) . ?
C62 C65 1.27(5) . ?
C63 C65 1.70(6) . ?
C65 C82 1.28(5) . ?
C68 C80 1.48(3) . ?
C69 C77 1.44(2) . ?
C72 C83 1.21(4) . ?
C75 C78 1.42(2) . ?
C78 C88 1.52(5) . ?
C79 C70 1.38(2) . ?
C79 C84 1.54(6) . ?
C81 C84 1.46(7) . ?
C83 C22 1.47(3) . ?
C85 C5 1.29(3) . ?
C85 C67 1.62(3) . ?
C87 C22 1.30(3) . ?
Y1 Y2 1.240(6) 6_565 ?
Y1 C90 2.347(6) . ?
Y1 C89 2.509(6) . ?
Y2 Y1 1.240(6) 6_565 ?
Y2 C89 2.114(5) . ?
Y2 C90 2.492(8) . ?
Y2 Y2 4.055(6) 6_565 ?
C89 C90 1.131(17) . ?
C89 Y2 2.114(5) 6_565 ?
C89 Y1 2.509(6) 6_565 ?
C90 Y1 2.347(6) 6_565 ?
C90 Y2 2.492(8) 6_565 ?
C91 C92 1.538(9) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C93 1.496(8) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C93 1.354(13) 6_565 ?
C93 C94 1.446(7) . ?
C94 C95 1.365(8) . ?
C94 N1 1.373(6) . ?
C95 C96 1.381(7) . ?
C95 H95 0.9500 . ?
C96 N2 1.378(7) . ?
C96 C97 1.439(8) . ?
C97 C100 1.357(8) . ?
C97 C98 1.502(8) . ?
C98 C99 1.539(11) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C103 1.433(8) . ?
C100 C101 1.509(9) . ?
C101 C102 1.527(11) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 N2 1.378(7) . ?
C103 C104 1.380(7) . ?
C104 C105 1.360(8) . ?
C104 H104 0.9500 . ?
C105 N3 1.381(7) . ?
C105 C106 1.445(7) . ?
C106 C106 1.339(12) 6_565 ?
C106 C107 1.510(8) . ?
C107 C108 1.533(10) . ?
C107 H10F 0.9900 . ?
C107 H10G 0.9900 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C108 H10J 0.9800 . ?
N1 C94 1.373(6) 6_565 ?
N1 Ni 1.960(6) . ?
N2 Ni 1.956(5) . ?
N3 C105 1.381(7) 6_565 ?
N3 Ni 1.952(6) . ?
Ni N2 1.956(5) 6_565 ?
C1A C6A 1.408(15) . ?
C1A C2A 1.424(19) . ?
C1A H1A 0.9500 . ?
C2A C3A 1.41(2) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.39(2) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.327(18) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.401(16) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C115 C118 1.3900 . ?
C115 C114 1.3900 . ?
C115 H115 0.9500 . ?
C118 C119 1.3900 . ?
C118 H118 0.9500 . ?
C119 C117 1.3900 . ?
C119 H119 0.9500 . ?
C117 C116 1.3900 . ?
C117 H117 0.9500 . ?
C116 C114 1.3900 . ?
C116 H116 0.9500 . ?
C114 H114 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
C62 C1 C69 124(4) . . ?
C62 C1 C25 111(3) . . ?
C69 C1 C25 108.0(19) . . ?
C8 C2 C53 106.4(18) . . ?
C8 C2 C10 113(3) . . ?
C53 C2 C10 124(3) . . ?
C20 C3 C4 135(4) . . ?
C20 C3 C43 108(4) . . ?
C4 C3 C43 106(3) . . ?
C46 C4 C55 131(3) . . ?
C46 C4 C3 113(3) . . ?
C55 C4 C3 105(3) . . ?
C82 C6 C69 108(3) . . ?
C82 C6 C72 117(3) . . ?
C69 C6 C72 122(3) . . ?
C74 C7 C16 134(3) . . ?
C74 C7 C46 117(3) . . ?
C16 C7 C46 109(2) . . ?
C74 C7 C47 46(2) . . ?
C16 C7 C47 90(2) . . ?
C46 C7 C47 153(3) . . ?
C54 C8 C80 119(3) . . ?
C54 C8 C2 128(3) . . ?
C80 C8 C2 108.7(19) . . ?
C43 C9 C64 134(4) . . ?
C43 C9 C26 102(4) . . ?
C64 C9 C26 116(3) . . ?
C43 C9 C18 46(3) . . ?
C64 C9 C18 89(2) . . ?
C26 C9 C18 138(3) . . ?
C78 C10 C59 113(2) . . ?
C78 C10 C2 125(3) . . ?
C59 C10 C2 121(3) . . ?
C59 C11 C31 121(3) . . ?
C59 C11 C28 142(4) . . ?
C31 C11 C28 95(3) . . ?
C63 C12 C16 122(3) . . ?
C63 C12 C13 125(3) . . ?
C16 C12 C13 110(2) . . ?
C21 C13 C35 113(2) . . ?
C21 C13 C12 114(3) . . ?
C35 C13 C12 115.6(19) . . ?
C19 C14 C61 108(3) . . ?
C19 C14 C72 140(4) . . ?
C61 C14 C72 103(3) . . ?
C39 C15 C63 110(5) . . ?
C39 C15 C17 114(5) . . ?
C63 C15 C17 124(4) . . ?
C76 C16 C12 113(3) . . ?
C76 C16 C7 91(3) . . ?
C12 C16 C7 132(2) . . ?
C76 C17 C86 118(4) . . ?
C76 C17 C15 115(4) . . ?
C86 C17 C15 120(3) . . ?
C44 C18 C43 149(5) . . ?
C44 C18 C55 108(3) . . ?
C43 C18 C55 97(4) . . ?
C44 C18 C9 110(4) . . ?
C43 C18 C9 40(2) . . ?
C55 C18 C9 133(3) . . ?
C14 C19 C57 130(4) . . ?
C14 C19 C21 112(4) . . ?
C57 C19 C21 106(2) . . ?
C3 C20 C66 140(5) . . ?
C3 C20 C57 112(4) . . ?
C66 C20 C57 104(3) . . ?
C13 C21 C19 112(3) . . ?
C13 C21 C82 126(3) . . ?
C19 C21 C82 119(3) . . ?
C33 C23 C51 112(3) . . ?
C33 C23 C64 113(3) . . ?
C51 C23 C64 128(3) . . ?
C70 C24 C42 107(3) . . ?
C70 C24 C86 118(3) . . ?
C42 C24 C86 124(3) . . ?
C79 C25 C58 125(3) . . ?
C79 C25 C1 125(3) . . ?
C58 C25 C1 107.8(19) . . ?
C30 C26 C66 103(3) . . ?
C30 C26 C9 116(4) . . ?
C66 C26 C9 131(4) . . ?
C73 C27 C75 124(4) . . ?
C73 C27 C36 121(4) . . ?
C75 C27 C36 106(3) . . ?
C42 C28 C11 119(3) . . ?
C42 C28 C41 115(4) . . ?
C11 C28 C41 118(4) . . ?
C77 C29 C80 98(3) . . ?
C77 C29 C83 130(3) . . ?
C80 C29 C83 122(2) . . ?
C87 C30 C26 111(4) . . ?
C87 C30 C33 117(4) . . ?
C26 C30 C33 118(4) . . ?
C11 C31 C75 119(2) . . ?
C11 C31 C71 114(3) . . ?
C75 C31 C71 104(4) . . ?
C47 C32 C49 133(4) . . ?
C47 C32 C67 110(3) . . ?
C49 C32 C67 109(3) . . ?
C23 C33 C30 133(3) . . ?
C23 C33 C48 109(4) . . ?
C30 C33 C48 110(3) . . ?
C36 C34 C56 115(5) . . ?
C36 C34 C51 119(4) . . ?
C56 C34 C51 117(4) . . ?
C57 C35 C13 100.0(18) . . ?
C57 C35 C46 116(2) . . ?
C13 C35 C46 130.3(19) . . ?
C88 C36 C34 123(4) . . ?
C88 C36 C27 112(5) . . ?
C34 C36 C27 111(4) . . ?
C53 C37 C52 121(5) . . ?
C53 C37 C88 113(4) . . ?
C52 C37 C88 120(4) . . ?
C64 C38 C44 103.1(19) . . ?
C64 C38 C56 138(2) . . ?
C44 C38 C56 108.9(16) . . ?
C15 C39 C62 109(3) . . ?
C15 C39 C70 129(4) . . ?
C62 C39 C70 115(4) . . ?
C73 C40 C56 113(3) . . ?
C73 C40 C5 125(3) . . ?
C56 C40 C5 111.5(17) . . ?
C49 C41 C28 121(4) . . ?
C49 C41 C71 132(3) . . ?
C28 C41 C71 100(4) . . ?
C24 C42 C28 125(3) . . ?
C24 C42 C84 119(4) . . ?
C28 C42 C84 106(4) . . ?
C9 C43 C18 94(4) . . ?
C9 C43 C3 135(4) . . ?
C18 C43 C3 116(3) . . ?
C18 C44 C5 125(3) . . ?
C18 C44 C38 114(3) . . ?
C5 C44 C38 108.7(15) . . ?
C85 C45 C74 127(3) . . ?
C85 C45 C55 108(3) . . ?
C74 C45 C55 112(3) . . ?
C4 C46 C35 120(3) . . ?
C4 C46 C7 116(3) . . ?
C35 C46 C7 113.8(18) . . ?
C32 C47 C74 139(4) . . ?
C32 C47 C76 116(4) . . ?
C74 C47 C76 102(3) . . ?
C32 C47 C7 156(4) . . ?
C74 C47 C7 32.4(16) . . ?
C76 C47 C7 71(2) . . ?
C60 C48 C52 126(4) . . ?
C60 C48 C33 126(4) . . ?
C52 C48 C33 96(3) . . ?
C41 C49 C86 126(3) . . ?
C41 C49 C32 123(3) . . ?
C86 C49 C32 107(3) . . ?
C67 C50 C71 121(3) . . ?
C67 C50 C73 121(2) . . ?
C71 C50 C73 104(3) . . ?
C52 C51 C23 105(4) . . ?
C52 C51 C34 122(4) . . ?
C23 C51 C34 124(3) . . ?
C51 C52 C37 121(4) . . ?
C51 C52 C48 117(5) . . ?
C37 C52 C48 111(4) . . ?
C37 C53 C68 130(4) . . ?
C37 C53 C2 117(4) . . ?
C68 C53 C2 108.8(18) . . ?
C8 C54 C81 115(4) . . ?
C8 C54 C58 121(4) . . ?
C81 C54 C58 114(4) . . ?
C4 C55 C45 110(3) . . ?
C4 C55 C18 115(3) . . ?
C45 C55 C18 122(3) . . ?
C34 C56 C40 129(4) . . ?
C34 C56 C38 111(3) . . ?
C40 C56 C38 104.6(17) . . ?
C19 C57 C35 108(2) . . ?
C19 C57 C20 121(3) . . ?
C35 C57 C20 121(3) . . ?
C25 C58 C77 108.5(19) . . ?
C25 C58 C54 127(3) . . ?
C77 C58 C54 112(3) . . ?
C11 C59 C10 118(2) . . ?
C11 C59 C81 104(3) . . ?
C10 C59 C81 116(4) . . ?
C68 C60 C48 113(4) . . ?
C68 C60 C22 126(3) . . ?
C48 C60 C22 115(3) . . ?
C66 C61 C87 105(4) . . ?
C66 C61 C14 121(4) . . ?
C87 C61 C14 129(3) . . ?
C65 C62 C1 104(4) . . ?
C65 C62 C39 120(3) . . ?
C1 C62 C39 127(4) . . ?
C12 C63 C15 123(4) . . ?
C12 C63 C65 119(3) . . ?
C15 C63 C65 110(4) . . ?
C62 C65 C82 142(4) . . ?
C62 C65 C63 90(3) . . ?
C82 C65 C63 113(3) . . ?
C61 C66 C20 132(4) . . ?
C61 C66 C26 114(5) . . ?
C20 C66 C26 102(3) . . ?
C60 C68 C80 132(3) . . ?
C60 C68 C53 117(3) . . ?
C80 C68 C53 104.9(17) . . ?
C1 C69 C77 107.3(19) . . ?
C1 C69 C6 124(3) . . ?
C77 C69 C6 119(4) . . ?
C31 C71 C41 106(4) . . ?
C31 C71 C50 140(4) . . ?
C41 C71 C50 111(3) . . ?
C83 C72 C6 124(4) . . ?
C83 C72 C14 128(4) . . ?
C6 C72 C14 106(3) . . ?
C40 C73 C27 125(4) . . ?
C40 C73 C50 117(3) . . ?
C27 C73 C50 118(4) . . ?
C7 C74 C47 102(3) . . ?
C7 C74 C45 131(3) . . ?
C47 C74 C45 110(3) . . ?
C31 C75 C27 129(4) . . ?
C31 C75 C78 115(2) . . ?
C27 C75 C78 101(3) . . ?
C17 C76 C16 122(4) . . ?
C17 C76 C47 120(4) . . ?
C16 C76 C47 108(3) . . ?
C58 C77 C69 107.1(19) . . ?
C58 C77 C29 138(3) . . ?
C69 C77 C29 110(3) . . ?
C10 C78 C75 125(2) . . ?
C10 C78 C88 98(3) . . ?
C75 C78 C88 121(3) . . ?
C25 C79 C70 117(4) . . ?
C25 C79 C84 108(3) . . ?
C70 C79 C84 114(3) . . ?
C8 C80 C68 110.9(18) . . ?
C8 C80 C29 130(3) . . ?
C68 C80 C29 106(3) . . ?
C54 C81 C84 116(5) . . ?
C54 C81 C59 124(5) . . ?
C84 C81 C59 116(4) . . ?
C65 C82 C6 115(3) . . ?
C65 C82 C21 120(4) . . ?
C6 C82 C21 121(3) . . ?
C72 C83 C22 123(4) . . ?
C72 C83 C29 112(3) . . ?
C22 C83 C29 122(3) . . ?
C81 C84 C79 130(4) . . ?
C81 C84 C42 132(4) . . ?
C79 C84 C42 88(4) . . ?
C45 C85 C5 130(3) . . ?
C45 C85 C67 109(2) . . ?
C5 C85 C67 120.0(16) . . ?
C17 C86 C24 118(3) . . ?
C17 C86 C49 125(3) . . ?
C24 C86 C49 108(3) . . ?
C30 C87 C22 135(4) . . ?
C30 C87 C61 108(3) . . ?
C22 C87 C61 110(3) . . ?
C36 C88 C78 97(4) . . ?
C36 C88 C37 115(4) . . ?
C78 C88 C37 139(4) . . ?
C85 C5 C44 121.7(16) . . ?
C85 C5 C40 122.4(17) . . ?
C44 C5 C40 105.8(15) . . ?
C87 C22 C60 116(3) . . ?
C87 C22 C83 127(2) . . ?
C60 C22 C83 111(3) . . ?
C9 C64 C23 124(3) . . ?
C9 C64 C38 124(2) . . ?
C23 C64 C38 101.0(17) . . ?
C50 C67 C32 123(2) . . ?
C50 C67 C85 111(2) . . ?
C32 C67 C85 124.1(14) . . ?
C24 C70 C79 110(2) . . ?
C24 C70 C39 119(3) . . ?
C79 C70 C39 122(4) . . ?
Y2 Y1 C90 81.7(4) 6_565 . ?
Y2 Y1 C89 57.3(3) 6_565 . ?
C90 Y1 C89 26.7(4) . . ?
Y1 Y2 C89 93.1(4) 6_565 . ?
Y1 Y2 C90 68.8(4) 6_565 . ?
C89 Y2 C90 26.8(4) . . ?
Y1 Y2 Y2 91.5(2) 6_565 6_565 ?
C89 Y2 Y2 16.5(4) . 6_565 ?
C90 Y2 Y2 35.6(3) . 6_565 ?
C90 C89 Y2 95.5(4) . 6_565 ?
C90 C89 Y2 95.5(4) . . ?
Y2 C89 Y2 147.0(8) 6_565 . ?
C90 C89 Y1 68.7(4) . . ?
Y2 C89 Y1 29.58(18) 6_565 . ?
Y2 C89 Y1 134.8(5) . . ?
C90 C89 Y1 68.7(4) . 6_565 ?
Y2 C89 Y1 134.8(5) 6_565 6_565 ?
Y2 C89 Y1 29.58(18) . 6_565 ?
Y1 C89 Y1 110.4(5) . 6_565 ?
C89 C90 Y1 84.7(5) . . ?
C89 C90 Y1 84.7(5) . 6_565 ?
Y1 C90 Y1 122.7(6) . 6_565 ?
C89 C90 Y2 57.6(3) . 6_565 ?
Y1 C90 Y2 29.50(15) . 6_565 ?
Y1 C90 Y2 123.9(5) 6_565 6_565 ?
C89 C90 Y2 57.6(3) . . ?
Y1 C90 Y2 123.9(5) . . ?
Y1 C90 Y2 29.50(15) 6_565 . ?
Y2 C90 Y2 108.9(6) 6_565 . ?
C92 C91 H91A 109.5 . . ?
C92 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C92 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C93 C92 C91 111.2(5) . . ?
C93 C92 H92A 109.4 . . ?
C91 C92 H92A 109.4 . . ?
C93 C92 H92B 109.4 . . ?
C91 C92 H92B 109.4 . . ?
H92A C92 H92B 108.0 . . ?
C93 C93 C94 106.4(3) 6_565 . ?
C93 C93 C92 128.4(4) 6_565 . ?
C94 C93 C92 125.1(6) . . ?
C95 C94 N1 125.4(5) . . ?
C95 C94 C93 123.3(5) . . ?
N1 C94 C93 111.3(5) . . ?
C94 C95 C96 124.1(5) . . ?
C94 C95 H95 117.9 . . ?
C96 C95 H95 117.9 . . ?
N2 C96 C95 124.9(5) . . ?
N2 C96 C97 111.6(5) . . ?
C95 C96 C97 123.5(5) . . ?
C100 C97 C96 106.2(5) . . ?
C100 C97 C98 128.8(6) . . ?
C96 C97 C98 124.9(5) . . ?
C97 C98 C99 112.9(6) . . ?
C97 C98 H98A 109.0 . . ?
C99 C98 H98A 109.0 . . ?
C97 C98 H98B 109.0 . . ?
C99 C98 H98B 109.0 . . ?
H98A C98 H98B 107.8 . . ?
C98 C99 H99A 109.5 . . ?
C98 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C98 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C97 C100 C103 106.6(5) . . ?
C97 C100 C101 128.3(6) . . ?
C103 C100 C101 125.1(5) . . ?
C100 C101 C102 113.0(6) . . ?
C100 C101 H10A 109.0 . . ?
C102 C101 H10A 109.0 . . ?
C100 C101 H10B 109.0 . . ?
C102 C101 H10B 109.0 . . ?
H10A C101 H10B 107.8 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
H10C C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
N2 C103 C104 124.2(5) . . ?
N2 C103 C100 111.7(5) . . ?
C104 C103 C100 124.1(5) . . ?
C105 C104 C103 124.5(5) . . ?
C105 C104 H104 117.8 . . ?
C103 C104 H104 117.8 . . ?
C104 C105 N3 125.2(5) . . ?
C104 C105 C106 123.9(5) . . ?
N3 C105 C106 110.9(5) . . ?
C106 C106 C105 107.0(3) 6_565 . ?
C106 C106 C107 128.7(3) 6_565 . ?
C105 C106 C107 124.3(5) . . ?
C106 C107 C108 113.0(5) . . ?
C106 C107 H10F 109.0 . . ?
C108 C107 H10F 109.0 . . ?
C106 C107 H10G 109.0 . . ?
C108 C107 H10G 109.0 . . ?
H10F C107 H10G 107.8 . . ?
C107 C108 H10H 109.5 . . ?
C107 C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C107 C108 H10J 109.5 . . ?
H10H C108 H10J 109.5 . . ?
H10I C108 H10J 109.5 . . ?
C94 N1 C94 104.6(6) . 6_565 ?
C94 N1 Ni 127.7(3) . . ?
C94 N1 Ni 127.7(3) 6_565 . ?
C96 N2 C103 103.8(5) . . ?
C96 N2 Ni 127.8(4) . . ?
C103 N2 Ni 128.4(4) . . ?
C105 N3 C105 104.3(6) 6_565 . ?
C105 N3 Ni 127.8(3) 6_565 . ?
C105 N3 Ni 127.9(3) . . ?
N3 Ni N2 89.85(12) . . ?
N3 Ni N2 89.85(12) . 6_565 ?
N2 Ni N2 177.8(3) . 6_565 ?
N3 Ni N1 178.4(3) . . ?
N2 Ni N1 90.12(12) . . ?
N2 Ni N1 90.12(12) 6_565 . ?
C6A C1A C2A 109.1(11) . . ?
C6A C1A H1A 125.4 . . ?
C2A C1A H1A 125.4 . . ?
C3A C2A C1A 124.7(13) . . ?
C3A C2A H2A 117.7 . . ?
C1A C2A H2A 117.7 . . ?
C4A C3A C2A 117.5(14) . . ?
C4A C3A H3A 121.3 . . ?
C2A C3A H3A 121.3 . . ?
C5A C4A C3A 124.1(14) . . ?
C5A C4A H4A 117.9 . . ?
C3A C4A H4A 117.9 . . ?
C4A C5A C6A 114.8(12) . . ?
C4A C5A H5A 122.6 . . ?
C6A C5A H5A 122.6 . . ?
C5A C6A C1A 129.8(12) . . ?
C5A C6A H6A 115.1 . . ?
C1A C6A H6A 115.1 . . ?
C118 C115 C114 120.0 . . ?
C118 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C115 C118 C119 120.0 . . ?
C115 C118 H118 120.0 . . ?
C119 C118 H118 120.0 . . ?
C118 C119 C117 120.0 . . ?
C118 C119 H119 120.0 . . ?
C117 C119 H119 120.0 . . ?
C116 C117 C119 120.0 . . ?
C116 C117 H117 120.0 . . ?
C119 C117 H117 120.0 . . ?
C114 C116 C117 120.0 . . ?
C114 C116 H116 120.0 . . ?
C117 C116 H116 120.0 . . ?
C116 C114 C115 120.0 . . ?
C116 C114 H114 120.0 . . ?
C115 C114 H114 120.0 . . ?

_refine_diff_density_max         1.380
_refine_diff_density_min         -1.596
_refine_diff_density_rms         0.107

####################################################################### 
# 
# 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_Y2C2C90-41
_database_code_depnum_ccdc_archive 'CCDC 1528691'
_audit_update_record             
;
2017-01-20 deposited with the CCDC.	2019-03-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C140 H56 N4 Ni Y2'
_chemical_formula_weight         2030.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0027 0.0014 '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 0.0053 0.0028 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3436 0.9622 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -1.1694 3.0922 '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                   23.544(3)
_cell_length_b                   14.4883(18)
_cell_length_c                   18.621(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.714(3)
_cell_angle_gamma                90
_cell_volume                     6338.3(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5768
_cell_measurement_theta_min      2.480
_cell_measurement_theta_max      22.844

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.128
_exptl_crystal_F_000             4120
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    1.793
_shelx_estimated_absorpt_T_min   0.581
_shelx_estimated_absorpt_T_max   0.738
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6945
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6525
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline B17B'
_diffrn_measurement_device_type  'CCD MX300-HE'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41654
_diffrn_reflns_av_unetI/netI     0.0764
_diffrn_reflns_av_R_equivalents  0.1300
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.006
_diffrn_reflns_theta_max         24.173
_diffrn_reflns_theta_full        23.048
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6822
_reflns_number_gt                4559
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.1511P)²+55.3210P] 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         6822
_refine_ls_number_parameters     1070
_refine_ls_number_restraints     1656
_refine_ls_R_factor_all          0.1371
_refine_ls_R_factor_gt           0.0966
_refine_ls_wR_factor_ref         0.2877
_refine_ls_wR_factor_gt          0.2540
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.136
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001

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
C3 C 0.6115(7) 1.0000 0.3337(9) 0.094(4) Uani 1 2 d DS TU P . .
C8 C 0.7070(8) 1.0000 0.3984(7) 0.088(4) Uani 1 2 d DS TU P . .
C34 C 0.8263(7) 1.0000 0.0749(9) 0.089(4) Uani 1 2 d DS TU P . .
C54 C 0.7763(10) 1.0000 0.0279(11) 0.116(5) Uani 1 2 d S TU P A .
C82 C 0.5824(8) 1.0000 0.0151(10) 0.110(5) Uani 1 2 d S TU P . .
C80 C 0.5523(6) 1.0099(18) 0.2337(11) 0.109(5) Uani 0.5 1 d D U P A -1
C5 C 0.5482(9) 0.9701(15) 0.0656(12) 0.100(6) Uani 0.5 1 d D U P A -1
C53 C 0.5799(9) 1.1461(19) 0.0698(15) 0.103(6) Uani 0.5 1 d D U P A -1
C45 C 0.5589(9) 1.1546(16) 0.1741(12) 0.067(4) Uani 0.5 1 d D U P A -1
C52 C 0.5533(9) 1.1309(18) 0.1204(14) 0.0712(17) Uani 0.5 1 d . U P A -1
C42 C 0.5965(9) 1.0951(19) 0.0169(14) 0.103(6) Uani 0.5 1 d D U P A -1
C87 C 0.5350(5) 0.990(2) 0.1765(10) 0.082(4) Uani 0.5 1 d D U P A -1
C41 C 0.5360(6) 1.0313(14) 0.1144(11) 0.071(5) Uani 0.5 1 d D U P A -1
C33 C 0.5912(12) 1.2290(19) 0.1930(14) 0.084(6) Uani 0.5 1 d D U P A -1
C17 C 0.6529(8) 1.1150(16) 0.0048(11) 0.089(5) Uani 0.5 1 d D U P A -1
C31 C 0.6910(9) 1.0490(18) -0.0084(13) 0.098(6) Uani 0.5 1 d D U P A -1
C32 C 0.7444(7) 1.0604(16) 0.0126(13) 0.0712(17) Uani 0.5 1 d D U P A -1
C6 C 0.8024(11) 1.1574(19) 0.0950(16) 0.105(6) Uani 0.5 1 d D U P A -1
C16 C 0.7592(8) 1.1426(16) 0.0510(15) 0.085(5) Uani 0.5 1 d D U P A -1
C37 C 0.6654(13) 0.9658(16) -0.0220(12) 0.103(6) Uani 0.5 1 d D U P A -1
C90 C 0.5429(9) 0.9036(19) 0.1608(13) 0.103(5) Uani 0.5 1 d D U P A -1
C89 C 0.8499(11) 0.9327(15) 0.1164(12) 0.086(5) Uani 0.5 1 d D U P A -1
C88 C 0.8074(13) 1.2066(19) 0.1528(15) 0.096(6) Uani 0.5 1 d D U P A -1
C38 C 0.6179(12) 0.9410(19) -0.0025(14) 0.119(7) Uani 0.5 1 d D U P A -1
C83 C 0.6826(11) 1.290(3) 0.1639(15) 0.097(6) Uani 0.5 1 d D U P A -1
C84 C 0.6211(14) 1.252(2) 0.142(2) 0.104(6) Uani 0.5 1 d . U P A -1
C85 C 0.6221(10) 1.2131(18) 0.0795(14) 0.097(6) Uani 0.5 1 d D U P A -1
C86 C 0.7212(9) 1.2062(19) 0.0660(17) 0.099(6) Uani 0.5 1 d D U P A -1
C28 C 0.8744(12) 1.0343(15) 0.2071(15) 0.085(6) Uani 0.5 1 d D U P A -1
C81 C 0.5907(11) 1.1428(16) 0.2844(12) 0.091(6) Uani 0.5 1 d D U P A -1
C63 C 0.8304(12) 1.0821(14) 0.1031(14) 0.106(6) Uani 0.5 1 d D U P A -1
C64 C 0.7829(11) 0.8407(18) 0.0593(11) 0.093(6) Uani 0.5 1 d D U P A -1
C65 C 0.7632(12) 0.9080(19) 0.0227(13) 0.108(6) Uani 0.5 1 d D U P A -1
C56 C 0.7572(7) 0.9566(12) 0.4002(8) 0.079(5) Uani 0.5 1 d D U P A -1
C62 C 0.7142(11) 1.0852(16) 0.3922(9) 0.090(5) Uani 0.5 1 d D U P A -1
C60 C 0.6672(9) 0.7361(13) 0.1120(10) 0.085(5) Uani 0.5 1 d D U P A -1
C61 C 0.6972(11) 0.7709(15) 0.0654(13) 0.090(5) Uani 0.5 1 d D U P A -1
C59 C 0.6370(10) 0.7322(15) 0.2173(10) 0.093(5) Uani 0.5 1 d D U P A -1
C57 C 0.6446(13) 0.7589(19) 0.2837(12) 0.094(6) Uani 0.5 1 d D U P A -1
C58 C 0.6142(7) 1.2171(13) 0.2578(12) 0.079(5) Uani 0.5 1 d D U P A -1
C1 C 0.5797(10) 0.8777(18) 0.2674(13) 0.086(5) Uani 0.5 1 d D U P A -1
C55 C 0.7041(10) 0.8988(16) -0.0049(11) 0.085(5) Uani 0.5 1 d D U P A -1
C2 C 0.5805(7) 0.9582(13) 0.2875(10) 0.0712(17) Uani 0.5 1 d D U P A -1
C4 C 0.6590(8) 0.9571(13) 0.3753(9) 0.077(4) Uani 0.5 1 d D U P A -1
C7 C 0.7069(8) 0.8287(15) 0.3619(9) 0.072(5) Uani 0.5 1 d D U P A -1
C9 C 0.8051(7) 0.990(2) 0.3801(9) 0.088(5) Uani 0.5 1 d D U P A -1
C10 C 0.7543(8) 0.8688(16) 0.3803(17) 0.072(5) Uani 0.5 1 d D U P A -1
C11 C 0.7053(11) 0.7598(17) 0.3063(11) 0.072(5) Uani 0.5 1 d . U P A -1
C12 C 0.7538(13) 0.752(2) 0.2731(13) 0.072(5) Uani 0.5 1 d . U P A -1
C13 C 0.8013(12) 0.800(2) 0.2919(13) 0.073(5) Uani 0.5 1 d . U P A -1
C14 C 0.7999(7) 0.8490(13) 0.3435(8) 0.067(4) Uani 0.5 1 d D U P A -1
C15 C 0.6694(9) 1.130(2) 0.363(2) 0.089(6) Uani 0.5 1 d D U P A -1
C18 C 0.8613(13) 0.954(3) 0.2975(14) 0.067(6) Uani 0.5 1 d . U P A -1
C19 C 0.8631(6) 0.8974(16) 0.2404(10) 0.058(4) Uani 0.5 1 d . U P A -1
C20 C 0.8343(9) 0.822(2) 0.2341(14) 0.0712(17) Uani 0.5 1 d . U P A -1
C21 C 0.8182(10) 0.800(2) 0.1711(11) 0.066(5) Uani 0.5 1 d D U P A -1
C22 C 0.7725(10) 0.751(2) 0.1526(10) 0.061(5) Uani 0.5 1 d D U P A -1
C23 C 0.7407(13) 0.7223(19) 0.2022(14) 0.080(5) Uani 0.5 1 d . U P A -1
C24 C 0.6663(6) 1.1963(16) 0.0391(12) 0.0712(17) Uani 0.5 1 d D U P A -1
C25 C 0.7520(9) 0.7714(15) 0.0855(10) 0.077(5) Uani 0.5 1 d D U P A -1
C26 C 0.8271(9) 0.8510(17) 0.1132(11) 0.074(5) Uani 0.5 1 d D U P A -1
C27 C 0.8705(12) 0.9513(16) 0.1793(11) 0.072(5) Uani 0.5 1 d D U P A -1
C29 C 0.8690(13) 1.037(3) 0.2738(19) 0.076(6) Uani 0.5 1 d . U P A -1
C30 C 0.8330(8) 0.9254(17) 0.3447(13) 0.074(5) Uani 0.5 1 d D U P A -1
C35 C 0.6774(11) 0.8308(15) 0.0180(11) 0.092(6) Uani 0.5 1 d D U P A -1
C36 C 0.6234(10) 0.8551(17) 0.0183(14) 0.111(6) Uani 0.5 1 d D U P A -1
C39 C 0.5913(12) 0.821(2) 0.0635(15) 0.106(6) Uani 0.5 1 d D U P A -1
C40 C 0.5507(9) 0.8946(16) 0.0957(11) 0.0712(17) Uani 0.5 1 d D U P A -1
C43 C 0.6134(10) 0.765(2) 0.1100(11) 0.092(6) Uani 0.5 1 d D U P A -1
C44 C 0.5975(11) 0.775(2) 0.1755(12) 0.090(7) Uani 0.5 1 d D U P A -1
C46 C 0.6965(9) 1.2788(13) 0.2315(13) 0.080(5) Uani 0.5 1 d D U P A -1
C47 C 0.6824(12) 0.717(3) 0.1807(12) 0.093(6) Uani 0.5 1 d D U P A -1
C48 C 0.6202(9) 0.8302(17) 0.3062(11) 0.081(5) Uani 0.5 1 d D U P A -1
C49 C 0.6567(9) 0.8707(17) 0.3594(17) 0.077(5) Uani 0.5 1 d D U P A -1
C50 C 0.5560(7) 1.0992(14) 0.2314(10) 0.0712(17) Uani 0.5 1 d D U P A -1
C51 C 0.5666(10) 0.8414(19) 0.2040(13) 0.089(6) Uani 0.5 1 d D U P A -1
C66 C 0.7678(10) 1.255(2) 0.1718(15) 0.089(6) Uani 0.5 1 d D U P A -1
C67 C 0.7241(11) 1.2632(16) 0.1259(13) 0.100(6) Uani 0.5 1 d D U P A -1
C68 C 0.7527(9) 1.2669(16) 0.2364(14) 0.082(6) Uani 0.5 1 d D U P A -1
C69 C 0.7800(11) 1.2192(18) 0.2856(15) 0.079(6) Uani 0.5 1 d D U P A -1
C70 C 0.8246(8) 1.1780(17) 0.2656(13) 0.0712(17) Uani 0.5 1 d D U P A -1
C71 C 0.8400(9) 1.1662(16) 0.2036(13) 0.091(6) Uani 0.5 1 d D U P A -1
C72 C 0.7472(10) 1.1987(15) 0.3342(14) 0.100(6) Uani 0.5 1 d D U P A -1
C73 C 0.6917(9) 1.2054(15) 0.3324(13) 0.087(6) Uani 0.5 1 d D U P A -1
C74 C 0.6675(9) 1.2511(15) 0.2770(14) 0.082(5) Uani 0.5 1 d D U P A -1
C75 C 0.8590(9) 1.0982(13) 0.1637(13) 0.092(5) Uani 0.5 1 d D U P A -1
C76 C 0.8400(10) 1.102(2) 0.3061(16) 0.087(5) Uani 0.5 1 d . U P A -1
C77 C 0.8106(13) 1.076(2) 0.3604(17) 0.092(6) Uani 0.5 1 d . U P A -1
C78 C 0.6216(8) 1.0926(11) 0.3346(10) 0.087(5) Uani 0.5 1 d D U P A -1
C79 C 0.7608(11) 1.125(2) 0.372(2) 0.096(7) Uani 0.5 1 d D U P A -1
Y1 Y 0.66984(8) 1.13759(12) 0.19786(12) 0.0556(5) Uani 0.4604 1 d . . P A 2
Y2 Y 0.6669(3) 0.8682(4) 0.1450(5) 0.124(2) Uani 0.225 1 d . . P A 2
Y3 Y 0.6801(2) 1.1093(4) 0.2480(3) 0.0688(14) Uani 0.1729 1 d . . P A 2
Y4 Y 0.7260(4) 0.9076(8) 0.2791(5) 0.108(3) Uani 0.1416 1 d . . P A 2
C91 C 0.6949(5) 1.0000 0.1605(7) 0.054(3) Uani 1 2 d S T P A 2
C92 C 0.7245(5) 1.0000 0.2052(7) 0.062(3) Uani 1 2 d S T P A 2
Ni Ni 0.52099(3) 1.0000 0.41873(5) 0.0181(3) Uani 1 2 d S T P B 3
N1 N 0.4664(2) 1.0000 0.3452(3) 0.0181(12) Uani 1 2 d S T P B 3
N2 N 0.52216(15) 0.8735(3) 0.4176(2) 0.0179(9) Uani 1 1 d . . . B 3
N3 N 0.5770(2) 1.0000 0.4905(3) 0.0189(12) Uani 1 2 d S T P B 3
C93 C 0.7263(2) 0.8698(5) 0.5634(4) 0.0407(16) Uani 1 1 d . . . B 3
H93A H 0.7517 0.8274 0.5912 0.049 Uiso 1 1 calc R U . B 3
H93B H 0.7108 0.8387 0.5196 0.049 Uiso 1 1 calc R U . B 3
H93C H 0.7477 0.9245 0.5502 0.049 Uiso 1 1 calc R U . B 3
C94 C 0.6810(2) 0.8967(4) 0.6056(3) 0.0277(12) Uani 1 1 d . . . B 3
H94A H 0.6598 0.8412 0.6195 0.033 Uiso 1 1 calc R U . B 3
H94B H 0.6968 0.9270 0.6501 0.033 Uiso 1 1 calc R U . B 3
C95 C 0.6438(2) 0.9568(4) 0.5684(3) 0.0242(11) Uani 1 1 d . . . B 3
C96 C 0.60202(19) 0.9305(4) 0.5198(3) 0.0201(10) Uani 1 1 d . . . B 3
C97 C 0.59117(19) 0.8465(4) 0.5053(3) 0.0222(11) Uani 1 1 d . . . B 3
H97 H 0.6120 0.8004 0.5321 0.027 Uiso 1 1 calc R U . B 3
C98 C 0.55336(19) 0.8201(4) 0.4561(3) 0.0208(11) Uani 1 1 d . . . B 3
C99 C 0.5432(2) 0.7316(4) 0.4401(3) 0.0230(11) Uani 1 1 d . . . B 3
C100 C 0.5717(2) 0.6566(4) 0.4731(3) 0.0296(12) Uani 1 1 d . . . B 3
H00A H 0.5480 0.6006 0.4654 0.036 Uiso 1 1 calc R U . B 3
H00B H 0.5763 0.6680 0.5256 0.036 Uiso 1 1 calc R U . B 3
C101 C 0.6260(3) 0.6397(5) 0.4471(4) 0.0370(14) Uani 1 1 d . . . B 3
H01A H 0.6436 0.5865 0.4724 0.044 Uiso 1 1 calc R U . B 3
H01B H 0.6219 0.6267 0.3954 0.044 Uiso 1 1 calc R U . B 3
H01C H 0.6502 0.6941 0.4556 0.044 Uiso 1 1 calc R U . B 3
C102 C 0.5053(2) 0.7316(4) 0.3902(3) 0.0251(12) Uani 1 1 d . . . B 3
C103 C 0.4807(2) 0.6558(4) 0.3529(3) 0.0273(12) Uani 1 1 d . . . B 3
H03A H 0.4393 0.6670 0.3442 0.033 Uiso 1 1 calc R U . B 3
H03B H 0.4855 0.6002 0.3836 0.033 Uiso 1 1 calc R U . B 3
C104 C 0.5042(3) 0.6385(4) 0.2866(4) 0.0372(14) Uani 1 1 d . . . B 3
H04A H 0.4852 0.5850 0.2634 0.045 Uiso 1 1 calc R U . B 3
H04B H 0.4987 0.6927 0.2554 0.045 Uiso 1 1 calc R U . B 3
H04C H 0.5449 0.6258 0.2948 0.045 Uiso 1 1 calc R U . B 3
C105 C 0.4923(2) 0.8202(4) 0.3768(3) 0.0207(11) Uani 1 1 d . . . B 3
C106 C 0.4545(2) 0.8463(4) 0.3278(3) 0.0218(11) Uani 1 1 d . . . B 3
H106 H 0.4339 0.8001 0.3009 0.026 Uiso 1 1 calc R U . B 3
C107 C 0.44336(19) 0.9306(4) 0.3133(3) 0.0193(10) Uani 1 1 d . . . B 3
C108 C 0.4063(2) 0.9566(4) 0.2593(3) 0.0232(11) Uani 1 1 d . . . B 3
C109 C 0.3773(2) 0.8965(4) 0.2122(3) 0.0264(12) Uani 1 1 d . . . B 3
H09A H 0.3452 0.9299 0.1870 0.032 Uiso 1 1 calc R U . B 3
H09B H 0.3612 0.8458 0.2402 0.032 Uiso 1 1 calc R U . B 3
C110 C 0.4121(2) 0.8582(5) 0.1603(3) 0.0330(13) Uani 1 1 d . . . B 3
H10A H 0.3893 0.8165 0.1287 0.040 Uiso 1 1 calc R U . B 3
H10B H 0.4274 0.9080 0.1317 0.040 Uiso 1 1 calc R U . B 3
H10C H 0.4435 0.8239 0.1848 0.040 Uiso 1 1 calc R U . B 3
C111 C 0.7186(5) 0.5000 0.1702(6) 0.049(2) Uani 1 2 d S T P C 3
H111 H 0.7460 0.5000 0.1349 0.059 Uiso 1 2 calc R U P C 3
C112 C 0.7343(4) 0.5000 0.2355(5) 0.039(2) Uani 1 2 d S T P C 3
H112 H 0.7738 0.5000 0.2499 0.047 Uiso 1 2 calc R U P C 3
C113 C 0.6970(4) 0.5000 0.2841(5) 0.039(2) Uani 1 2 d S T P C 3
H113 H 0.7093 0.5000 0.3337 0.046 Uiso 1 2 calc R U P C 3
C114 C 0.6444(4) 0.5000 0.2654(6) 0.046(2) Uani 1 2 d S T P C 3
H114 H 0.6170 0.5000 0.3006 0.055 Uiso 1 2 calc R U P C 3
C115 C 0.6287(5) 0.5000 0.1989(8) 0.071(4) Uani 1 2 d S T P C 3
H115 H 0.5892 0.5000 0.1846 0.085 Uiso 1 2 calc R U P C 3
C116 C 0.6650(6) 0.5000 0.1508(7) 0.067(3) Uani 1 2 d S T P C 3
H116 H 0.6526 0.5000 0.1012 0.080 Uiso 1 2 calc R U P C 3
C118 C 0.9540(7) 0.8796(13) 0.0273(10) 0.122(12) Uani 0.5 1 d G . P D -2
H118 H 0.9313 0.8867 0.0672 0.146 Uiso 0.5 1 calc R U P D -2
C122 C 0.9943(7) 0.8095(11) 0.0271(8) 0.073(9) Uani 0.5 1 d G . P D -2
H122 H 0.9991 0.7687 0.0669 0.087 Uiso 0.5 1 calc R U P D -2
C117 C 1.0275(6) 0.7992(12) -0.0314(9) 0.19(3) Uani 0.5 1 d G . P D -2
H117 H 1.0551 0.7512 -0.0315 0.224 Uiso 0.5 1 calc R U P D -2
C121 C 1.0205(7) 0.8589(15) -0.0897(7) 0.090(8) Uani 0.5 1 d G . P D -2
H121 H 1.0433 0.8519 -0.1297 0.109 Uiso 0.5 1 calc R U P D -2
C119 C 0.9802(10) 0.9290(12) -0.0895(10) 0.162(17) Uani 0.5 1 d G . P D -2
H119 H 0.9754 0.9699 -0.1293 0.194 Uiso 0.5 1 calc R U P D -2
C120 C 0.9470(9) 0.9394(12) -0.0310(13) 0.18(2) Uani 0.5 1 d G . P D -2
H120 H 0.9194 0.9873 -0.0309 0.214 Uiso 0.5 1 calc R U P D -2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C3 C2 1.249(16) . ?
C3 C78 1.362(16) . ?
C3 C4 1.46(2) . ?
C3 Y3 2.827(12) . ?
C3 Y3 2.827(12) 6_575 ?
C8 C62 1.25(2) . ?
C8 C56 1.336(16) . ?
C8 C4 1.337(17) . ?
C8 Y4 2.656(15) . ?
C8 Y4 2.656(15) 6_575 ?
C34 C63 1.302(17) . ?
C34 C89 1.342(18) . ?
C34 C54 1.42(3) . ?
C54 C32 1.18(2) . ?
C54 C65 1.37(3) . ?
C82 C38 1.25(3) . ?
C82 C5 1.35(3) . ?
C82 C42 1.42(3) . ?
C80 C87 1.15(2) . ?
C80 C50 1.30(2) . ?
C80 C2 1.385(18) . ?
C5 C40 1.23(2) . ?
C5 C41 1.31(2) . ?
C5 C90 2.03(3) . ?
C53 C52 1.18(3) . ?
C53 C42 1.31(2) . ?
C53 C85 1.39(2) . ?
C53 C45 2.04(4) . ?
C45 C52 1.06(3) . ?
C45 C50 1.341(19) . ?
C45 C33 1.35(2) . ?
C52 C41 1.50(3) . ?
C42 C17 1.39(2) . ?
C87 C90 1.30(2) . ?
C87 C41 1.303(19) . ?
C87 C50 1.93(3) . ?
C33 C84 1.26(4) . ?
C33 C58 1.30(2) . ?
C17 C31 1.35(2) . ?
C17 C24 1.367(19) . ?
C31 C32 1.30(2) . ?
C31 C37 1.37(3) . ?
C32 C16 1.42(2) . ?
C6 C63 1.28(2) . ?
C6 C16 1.28(3) . ?
C6 C88 1.29(2) . ?
C6 C75 1.98(3) . ?
C16 C86 1.33(2) . ?
C37 C38 1.25(2) . ?
C37 C55 1.36(2) . ?
C90 C40 1.25(2) . ?
C90 C51 1.31(3) . ?
C89 C27 1.267(19) . ?
C89 C26 1.30(3) . ?
C88 C66 1.237(19) . ?
C88 C71 1.32(2) . ?
C88 C75 1.99(3) . ?
C38 C36 1.31(2) . ?
C83 C46 1.29(2) . ?
C83 C67 1.30(2) . ?
C83 C84 1.57(4) . ?
C84 C85 1.30(4) . ?
C85 C24 1.34(2) . ?
C86 C24 1.36(2) . ?
C86 C67 1.39(4) . ?
C28 C29 1.26(4) . ?
C28 C75 1.267(19) . ?
C28 C27 1.311(18) . ?
C81 C58 1.321(19) . ?
C81 C78 1.358(18) . ?
C81 C50 1.392(18) . ?
C63 C75 1.296(19) . ?
C64 C65 1.26(3) . ?
C64 C25 1.35(2) . ?
C64 C26 1.41(2) . ?
C65 C55 1.46(4) . ?
C56 C9 1.306(19) . ?
C56 C10 1.326(19) . ?
C62 C79 1.31(2) . ?
C62 C15 1.327(19) . ?
C60 C61 1.260(19) . ?
C60 C43 1.333(19) . ?
C60 C47 1.33(2) . ?
C61 C35 1.302(19) . ?
C61 C25 1.32(3) . ?
C59 C57 1.297(19) . ?
C59 C47 1.32(2) . ?
C59 C44 1.33(2) . ?
C57 C48 1.27(2) . ?
C57 C11 1.46(4) . ?
C58 C74 1.375(19) . ?
C1 C2 1.22(3) . ?
C1 C51 1.31(2) . ?
C1 C48 1.35(2) . ?
C55 C35 1.257(19) . ?
C4 C49 1.29(2) . ?
C7 C10 1.285(19) . ?
C7 C49 1.327(18) . ?
C7 C11 1.44(3) . ?
C9 C77 1.30(5) . ?
C9 C30 1.34(2) . ?
C10 C14 1.340(18) . ?
C11 C12 1.34(3) . ?
C12 C13 1.35(4) . ?
C12 C23 1.40(3) . ?
C13 C14 1.19(3) . ?
C13 C20 1.41(3) . ?
C14 C30 1.35(2) . ?
C15 C78 1.330(19) . ?
C15 C73 1.35(2) . ?
C18 C30 1.21(4) . ?
C18 C29 1.30(3) . ?
C18 C19 1.34(4) . ?
C19 C20 1.28(4) . ?
C19 C27 1.40(3) . ?
C20 C21 1.25(3) . ?
C21 C22 1.31(2) . ?
C21 C26 1.34(2) . ?
C22 C23 1.29(3) . ?
C22 C25 1.34(2) . ?
C23 C47 1.41(4) . ?
C29 C76 1.33(4) . ?
C35 C36 1.321(19) . ?
C36 C39 1.26(2) . ?
C39 C43 1.28(2) . ?
C39 C40 1.57(4) . ?
C43 C44 1.31(2) . ?
C44 C51 1.33(2) . ?
C46 C74 1.19(3) . ?
C46 C68 1.331(19) . ?
C48 C49 1.40(3) . ?
C66 C68 1.29(2) . ?
C66 C67 1.30(2) . ?
C68 C69 1.29(2) . ?
C69 C72 1.26(3) . ?
C69 C70 1.284(19) . ?
C70 C71 1.244(18) . ?
C70 C76 1.37(4) . ?
C71 C75 1.330(19) . ?
C72 C73 1.31(2) . ?
C72 C79 1.31(2) . ?
C73 C74 1.32(2) . ?
C76 C77 1.32(4) . ?
C77 C79 1.40(4) . ?
Y1 Y2 0.986(8) 6_575 ?
Y1 Y3 1.035(6) . ?
Y1 Y4 2.052(11) 6_575 ?
Y1 C91 2.204(5) . ?
Y1 C92 2.372(6) . ?
Y1 Y3 3.700(6) 6_575 ?
Y1 Y4 3.858(9) . ?
Y1 Y1 3.987(4) 6_575 ?
Y1 Y2 4.024(6) . ?
Y2 Y1 0.986(8) 6_575 ?
Y2 Y3 1.951(10) 6_575 ?
Y2 C91 2.034(7) . ?
Y2 C92 2.559(10) . ?
Y2 Y4 2.838(13) . ?
Y2 Y2 3.818(12) 6_575 ?
Y2 Y3 3.987(8) . ?
Y3 Y4 1.217(11) 6_575 ?
Y3 Y2 1.951(10) 6_575 ?
Y3 C92 2.084(9) . ?
Y3 C91 2.314(10) . ?
Y3 Y4 3.155(11) . ?
Y3 Y3 3.166(12) 6_575 ?
Y3 Y1 3.700(6) 6_575 ?
Y4 Y3 1.217(11) 6_575 ?
Y4 C92 1.918(12) . ?
Y4 Y1 2.052(11) 6_575 ?
Y4 C91 2.645(14) . ?
Y4 Y4 2.68(2) 6_575 ?
C91 C92 1.052(16) . ?
C91 Y2 2.034(7) 6_575 ?
C91 Y1 2.204(5) 6_575 ?
C91 Y3 2.314(10) 6_575 ?
C91 Y4 2.645(14) 6_575 ?
C92 Y4 1.918(12) 6_575 ?
C92 Y3 2.084(9) 6_575 ?
C92 Y1 2.372(6) 6_575 ?
C92 Y2 2.559(10) 6_575 ?
Ni N3 1.815(6) . ?
Ni N1 1.815(6) . ?
Ni N2 1.833(4) 6_575 ?
Ni N2 1.833(4) . ?
N1 C107 1.272(6) 6_575 ?
N1 C107 1.272(6) . ?
N2 C98 1.258(6) . ?
N2 C105 1.265(6) . ?
N3 C96 1.272(6) . ?
N3 C96 1.272(6) 6_575 ?
C93 C94 1.420(8) . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C95 1.387(7) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C95 1.251(12) 6_575 ?
C95 C96 1.348(7) . ?
C96 C97 1.269(8) . ?
C96 C96 2.014(11) 6_575 ?
C97 C98 1.294(7) . ?
C97 H97 0.9500 . ?
C98 C99 1.333(8) . ?
C98 C105 1.993(7) . ?
C99 C102 1.246(7) . ?
C99 C100 1.399(8) . ?
C100 C101 1.417(8) . ?
C100 H00A 0.9900 . ?
C100 H00B 0.9900 . ?
C101 H01A 0.9800 . ?
C101 H01B 0.9800 . ?
C101 H01C 0.9800 . ?
C102 C105 1.340(8) . ?
C102 C103 1.403(8) . ?
C103 C104 1.408(9) . ?
C103 H03A 0.9900 . ?
C103 H03B 0.9900 . ?
C104 H04A 0.9800 . ?
C104 H04B 0.9800 . ?
C104 H04C 0.9800 . ?
C105 C106 1.289(7) . ?
C106 C107 1.274(8) . ?
C106 H106 0.9500 . ?
C107 C108 1.341(7) . ?
C107 C107 2.012(11) 6_575 ?
C108 C108 1.258(11) 6_575 ?
C108 C109 1.384(8) . ?
C109 C110 1.419(8) . ?
C109 H09A 0.9900 . ?
C109 H09B 0.9900 . ?
C110 H10A 0.9800 . ?
C110 H10B 0.9800 . ?
C110 H10C 0.9800 . ?
C111 C112 1.249(14) . ?
C111 C116 1.291(17) . ?
C111 H111 0.9500 . ?
C112 C113 1.301(13) . ?
C112 H112 0.9500 . ?
C113 C114 1.264(13) . ?
C113 H113 0.9500 . ?
C114 C115 1.270(17) . ?
C114 H114 0.9500 . ?
C115 C116 1.277(19) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C118 C122 1.3900 . ?
C118 C120 1.3900 . ?
C118 H118 0.9500 . ?
C122 C117 1.3900 . ?
C122 H122 0.9500 . ?
C117 C121 1.3900 . ?
C117 H117 0.9500 . ?
C121 C119 1.3900 . ?
C121 H121 0.9500 . ?
C119 C120 1.3900 . ?
C119 H119 0.9500 . ?
C120 H120 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
C2 C3 C78 125.4(17) . . ?
C2 C3 C4 123.6(11) . . ?
C78 C3 C4 106.7(16) . . ?
Y3 C3 Y3 68.1(3) . 6_575 ?
C62 C8 C56 110(2) . . ?
C62 C8 C4 123.0(19) . . ?
C56 C8 C4 121.2(11) . . ?
Y4 C8 Y4 60.5(5) . 6_575 ?
C63 C34 C89 114.5(18) . . ?
C63 C34 C54 106.6(14) . . ?
C89 C34 C54 130.6(12) . . ?
C32 C54 C65 125(3) . . ?
C32 C54 C34 129.7(16) . . ?
C65 C54 C34 102.5(17) . . ?
C38 C82 C5 113.7(18) . . ?
C38 C82 C42 121(3) . . ?
C5 C82 C42 116(2) . . ?
C87 C80 C50 104(2) . . ?
C87 C80 C2 131(3) . . ?
C50 C80 C2 122.3(19) . . ?
C40 C5 C41 106.9(18) . . ?
C40 C5 C82 126(2) . . ?
C41 C5 C82 115.6(18) . . ?
C40 C5 C90 35.1(11) . . ?
C41 C5 C90 71.8(12) . . ?
C82 C5 C90 146.6(15) . . ?
C52 C53 C42 134(3) . . ?
C52 C53 C85 116(3) . . ?
C42 C53 C85 104.2(18) . . ?
C52 C53 C45 23.2(16) . . ?
C42 C53 C45 148(2) . . ?
C85 C53 C45 92.8(18) . . ?
C52 C45 C50 123(3) . . ?
C52 C45 C33 123(2) . . ?
C50 C45 C33 109.1(18) . . ?
C52 C45 C53 26.1(16) . . ?
C50 C45 C53 139(2) . . ?
C33 C45 C53 97.5(17) . . ?
C45 C52 C53 131(3) . . ?
C45 C52 C41 113(2) . . ?
C53 C52 C41 106(3) . . ?
C53 C42 C17 109.9(18) . . ?
C53 C42 C82 119(3) . . ?
C17 C42 C82 115(2) . . ?
C80 C87 C90 114(3) . . ?
C80 C87 C41 133(3) . . ?
C90 C87 C41 103.4(17) . . ?
C80 C87 C50 40.8(16) . . ?
C90 C87 C50 150.6(17) . . ?
C41 C87 C50 94.3(19) . . ?
C87 C41 C5 108.8(17) . . ?
C87 C41 C52 113(2) . . ?
C5 C41 C52 129(2) . . ?
C84 C33 C58 121(3) . . ?
C84 C33 C45 110(3) . . ?
C58 C33 C45 109.2(19) . . ?
C31 C17 C24 124.1(18) . . ?
C31 C17 C42 123(2) . . ?
C24 C17 C42 107.3(16) . . ?
C32 C31 C17 120(2) . . ?
C32 C31 C37 125(2) . . ?
C17 C31 C37 112(2) . . ?
C54 C32 C31 125(2) . . ?
C54 C32 C16 112(2) . . ?
C31 C32 C16 117.3(17) . . ?
C63 C6 C16 108(3) . . ?
C63 C6 C88 111(2) . . ?
C16 C6 C88 131(3) . . ?
C63 C6 C75 40.0(10) . . ?
C16 C6 C75 144(2) . . ?
C88 C6 C75 71.3(14) . . ?
C6 C16 C86 106(2) . . ?
C6 C16 C32 128(2) . . ?
C86 C16 C32 122.7(18) . . ?
C38 C37 C55 109.1(18) . . ?
C38 C37 C31 126(3) . . ?
C55 C37 C31 108(2) . . ?
C40 C90 C87 110.5(19) . . ?
C40 C90 C51 116(3) . . ?
C87 C90 C51 126(2) . . ?
C40 C90 C5 34.6(11) . . ?
C87 C90 C5 75.9(13) . . ?
C51 C90 C5 145(2) . . ?
C27 C89 C26 112(2) . . ?
C27 C89 C34 120(2) . . ?
C26 C89 C34 118.7(18) . . ?
C66 C88 C6 122(3) . . ?
C66 C88 C71 117(2) . . ?
C6 C88 C71 111.8(19) . . ?
C66 C88 C75 152(3) . . ?
C6 C88 C75 70.8(14) . . ?
C71 C88 C75 41.6(10) . . ?
C37 C38 C82 120(3) . . ?
C37 C38 C36 107(2) . . ?
C82 C38 C36 129(3) . . ?
C46 C83 C67 110(2) . . ?
C46 C83 C84 112(3) . . ?
C67 C83 C84 118(3) . . ?
C33 C84 C85 127(3) . . ?
C33 C84 C83 117(3) . . ?
C85 C84 C83 108(3) . . ?
C84 C85 C24 130(3) . . ?
C84 C85 C53 111(3) . . ?
C24 C85 C53 111.8(18) . . ?
C16 C86 C24 119(2) . . ?
C16 C86 C67 126(2) . . ?
C24 C86 C67 111(2) . . ?
C29 C28 C75 124(3) . . ?
C29 C28 C27 114(3) . . ?
C75 C28 C27 114(2) . . ?
C58 C81 C78 118.5(19) . . ?
C58 C81 C50 110.1(16) . . ?
C78 C81 C50 120.5(18) . . ?
C6 C63 C75 100.6(17) . . ?
C6 C63 C34 135(2) . . ?
C75 C63 C34 122(2) . . ?
C65 C64 C25 126(3) . . ?
C65 C64 C26 122(3) . . ?
C25 C64 C26 102.2(15) . . ?
C64 C65 C54 130(3) . . ?
C64 C65 C55 115(3) . . ?
C54 C65 C55 109(2) . . ?
C9 C56 C10 107.9(17) . . ?
C9 C56 C8 126.6(18) . . ?
C10 C56 C8 114.6(15) . . ?
C8 C62 C79 125(2) . . ?
C8 C62 C15 115(2) . . ?
C79 C62 C15 109.0(19) . . ?
C61 C60 C43 115.5(19) . . ?
C61 C60 C47 128(2) . . ?
C43 C60 C47 106.7(17) . . ?
C60 C61 C35 123(2) . . ?
C60 C61 C25 113(2) . . ?
C35 C61 C25 119(2) . . ?
C57 C59 C47 118(2) . . ?
C57 C59 C44 118(2) . . ?
C47 C59 C44 109.6(17) . . ?
C48 C57 C59 121(2) . . ?
C48 C57 C11 111(2) . . ?
C59 C57 C11 110(2) . . ?
C33 C58 C81 107.3(16) . . ?
C33 C58 C74 121(2) . . ?
C81 C58 C74 126(2) . . ?
C2 C1 C51 131(2) . . ?
C2 C1 C48 109(2) . . ?
C51 C1 C48 113(2) . . ?
C35 C55 C37 107.3(18) . . ?
C35 C55 C65 116(2) . . ?
C37 C55 C65 129(2) . . ?
C1 C2 C3 132.0(18) . . ?
C1 C2 C80 107(2) . . ?
C3 C2 C80 117.9(18) . . ?
C49 C4 C8 123.2(16) . . ?
C49 C4 C3 105.9(17) . . ?
C8 C4 C3 125.2(15) . . ?
C10 C7 C49 124(2) . . ?
C10 C7 C11 119.2(19) . . ?
C49 C7 C11 108.2(19) . . ?
C77 C9 C56 123(2) . . ?
C77 C9 C30 118(2) . . ?
C56 C9 C30 110(2) . . ?
C7 C10 C56 122.4(19) . . ?
C7 C10 C14 118(2) . . ?
C56 C10 C14 108.7(16) . . ?
C12 C11 C7 114(3) . . ?
C12 C11 C57 135(2) . . ?
C7 C11 C57 101.1(18) . . ?
C11 C12 C13 124(3) . . ?
C11 C12 C23 109(3) . . ?
C13 C12 C23 122(3) . . ?
C14 C13 C12 117(3) . . ?
C14 C13 C20 122(3) . . ?
C12 C13 C20 114(2) . . ?
C13 C14 C10 127(2) . . ?
C13 C14 C30 117(2) . . ?
C10 C14 C30 107.2(16) . . ?
C62 C15 C78 126(3) . . ?
C62 C15 C73 104.5(17) . . ?
C78 C15 C73 120(2) . . ?
C30 C18 C29 131(3) . . ?
C30 C18 C19 115(3) . . ?
C29 C18 C19 106(3) . . ?
C20 C19 C18 123(2) . . ?
C20 C19 C27 119(2) . . ?
C18 C19 C27 108(2) . . ?
C21 C20 C19 116(2) . . ?
C21 C20 C13 121(2) . . ?
C19 C20 C13 116(3) . . ?
C20 C21 C22 125(2) . . ?
C20 C21 C26 124(2) . . ?
C22 C21 C26 104.8(16) . . ?
C23 C22 C21 119(2) . . ?
C23 C22 C25 123(2) . . ?
C21 C22 C25 111.4(18) . . ?
C22 C23 C12 118(3) . . ?
C22 C23 C47 114(2) . . ?
C12 C23 C47 116(3) . . ?
C85 C24 C86 122(2) . . ?
C85 C24 C17 104.7(16) . . ?
C86 C24 C17 116.6(17) . . ?
C61 C25 C22 123(2) . . ?
C61 C25 C64 116(2) . . ?
C22 C25 C64 109.3(16) . . ?
C89 C26 C21 124(2) . . ?
C89 C26 C64 114(2) . . ?
C21 C26 C64 111.7(16) . . ?
C89 C27 C28 125(2) . . ?
C89 C27 C19 125(2) . . ?
C28 C27 C19 101.5(19) . . ?
C28 C29 C18 109(3) . . ?
C28 C29 C76 124(4) . . ?
C18 C29 C76 115(3) . . ?
C18 C30 C9 115(3) . . ?
C18 C30 C14 128(3) . . ?
C9 C30 C14 106.3(17) . . ?
C55 C35 C61 126(2) . . ?
C55 C35 C36 107.2(18) . . ?
C61 C35 C36 118(2) . . ?
C39 C36 C38 121(3) . . ?
C39 C36 C35 121(2) . . ?
C38 C36 C35 109.2(19) . . ?
C36 C39 C43 118(2) . . ?
C36 C39 C40 113(2) . . ?
C43 C39 C40 114(2) . . ?
C5 C40 C90 110(2) . . ?
C5 C40 C39 116(2) . . ?
C90 C40 C39 125(2) . . ?
C39 C43 C44 116(3) . . ?
C39 C43 C60 124(2) . . ?
C44 C43 C60 109.8(18) . . ?
C43 C44 C59 105.2(17) . . ?
C43 C44 C51 130(3) . . ?
C59 C44 C51 119(2) . . ?
C74 C46 C83 128(2) . . ?
C74 C46 C68 121(2) . . ?
C83 C46 C68 105.7(19) . . ?
C59 C47 C60 106.5(18) . . ?
C59 C47 C23 131(3) . . ?
C60 C47 C23 117(2) . . ?
C57 C48 C1 124(2) . . ?
C57 C48 C49 108(2) . . ?
C1 C48 C49 123(2) . . ?
C4 C49 C7 114(2) . . ?
C4 C49 C48 126(2) . . ?
C7 C49 C48 110(2) . . ?
C80 C50 C45 129(2) . . ?
C80 C50 C81 117.8(17) . . ?
C45 C50 C81 103.6(16) . . ?
C80 C50 C87 35.5(12) . . ?
C45 C50 C87 95.4(16) . . ?
C81 C50 C87 150.1(16) . . ?
C90 C51 C1 110(2) . . ?
C90 C51 C44 118(2) . . ?
C1 C51 C44 123(2) . . ?
C88 C66 C68 127(2) . . ?
C88 C66 C67 116(3) . . ?
C68 C66 C67 110.3(19) . . ?
C83 C67 C66 105.0(19) . . ?
C83 C67 C86 128(3) . . ?
C66 C67 C86 118(2) . . ?
C69 C68 C66 116(2) . . ?
C69 C68 C46 125(3) . . ?
C66 C68 C46 106.7(18) . . ?
C72 C69 C70 130(3) . . ?
C72 C69 C68 110(3) . . ?
C70 C69 C68 115(2) . . ?
C71 C70 C69 129(2) . . ?
C71 C70 C76 109(2) . . ?
C69 C70 C76 114(2) . . ?
C70 C71 C88 114.5(19) . . ?
C70 C71 C75 139(2) . . ?
C88 C71 C75 97.4(17) . . ?
C69 C72 C73 128(3) . . ?
C69 C72 C79 116(3) . . ?
C73 C72 C79 106.4(19) . . ?
C72 C73 C74 116(2) . . ?
C72 C73 C15 110.1(18) . . ?
C74 C73 C15 125(2) . . ?
C46 C74 C73 119(2) . . ?
C46 C74 C58 120(2) . . ?
C73 C74 C58 111.3(19) . . ?
C28 C75 C63 122(2) . . ?
C28 C75 C71 106(2) . . ?
C63 C75 C71 116.5(18) . . ?
C28 C75 C6 152(2) . . ?
C63 C75 C6 39.4(10) . . ?
C71 C75 C6 78.7(13) . . ?
C28 C75 C88 142(2) . . ?
C63 C75 C88 76.9(12) . . ?
C71 C75 C88 41.1(10) . . ?
C6 C75 C88 37.9(7) . . ?
C77 C76 C29 117(4) . . ?
C77 C76 C70 122(3) . . ?
C29 C76 C70 117(3) . . ?
C9 C77 C76 124(3) . . ?
C9 C77 C79 110(3) . . ?
C76 C77 C79 117(3) . . ?
C15 C78 C81 117.0(17) . . ?
C15 C78 C3 123(2) . . ?
C81 C78 C3 115.8(17) . . ?
C62 C79 C72 109.3(19) . . ?
C62 C79 C77 123(3) . . ?
C72 C79 C77 120(3) . . ?
Y2 Y1 Y3 149.9(5) 6_575 . ?
Y2 Y1 Y4 135.2(5) 6_575 6_575 ?
Y3 Y1 Y4 26.6(4) . 6_575 ?
Y2 Y1 C91 67.1(5) 6_575 . ?
Y3 Y1 C91 82.8(4) . . ?
Y4 Y1 C91 76.8(4) 6_575 . ?
Y2 Y1 C92 89.4(5) 6_575 . ?
Y3 Y1 C92 61.3(4) . . ?
Y4 Y1 C92 50.8(4) 6_575 . ?
C91 Y1 C92 26.2(4) . . ?
Y2 Y1 Y3 99.7(4) 6_575 6_575 ?
Y3 Y1 Y3 51.7(3) . 6_575 ?
Y4 Y1 Y3 58.4(3) 6_575 6_575 ?
C91 Y1 Y3 36.0(3) . 6_575 ?
C92 Y1 Y3 31.4(3) . 6_575 ?
Y2 Y1 Y4 108.5(4) 6_575 . ?
Y3 Y1 Y4 41.3(3) . . ?
Y4 Y1 Y4 41.1(4) 6_575 . ?
C91 Y1 Y4 41.5(4) . . ?
C92 Y1 Y4 23.1(3) . . ?
Y3 Y1 Y4 18.39(17) 6_575 . ?
Y2 Y1 Y1 85.1(4) 6_575 6_575 ?
Y3 Y1 Y1 66.6(3) . 6_575 ?
Y4 Y1 Y1 71.4(3) 6_575 6_575 ?
C91 Y1 Y1 25.2(3) . 6_575 ?
C92 Y1 Y1 32.8(2) . 6_575 ?
Y3 Y1 Y1 14.87(9) 6_575 6_575 ?
Y4 Y1 Y1 30.27(18) . 6_575 ?
Y2 Y1 Y2 71.0(4) 6_575 . ?
Y3 Y1 Y2 80.5(3) . . ?
Y4 Y1 Y2 82.6(3) 6_575 . ?
C91 Y1 Y2 17.5(3) . . ?
C92 Y1 Y2 36.9(3) . . ?
Y3 Y1 Y2 28.88(16) 6_575 . ?
Y4 Y1 Y2 42.1(2) . . ?
Y1 Y1 Y2 14.13(12) 6_575 . ?
Y1 Y2 Y3 15.4(2) 6_575 6_575 ?
Y1 Y2 C91 86.4(5) 6_575 . ?
Y3 Y2 C91 70.9(4) 6_575 . ?
Y1 Y2 C92 68.0(4) 6_575 . ?
Y3 Y2 C92 53.0(3) 6_575 . ?
C91 Y2 C92 23.0(4) . . ?
Y1 Y2 Y4 30.6(3) 6_575 . ?
Y3 Y2 Y4 20.4(2) 6_575 . ?
C91 Y2 Y4 63.3(4) . . ?
C92 Y2 Y4 41.2(3) . . ?
Y1 Y2 Y2 94.9(4) 6_575 6_575 ?
Y3 Y2 Y2 80.4(2) 6_575 6_575 ?
C91 Y2 Y2 20.2(4) . 6_575 ?
C92 Y2 Y2 41.7(3) . 6_575 ?
Y4 Y2 Y2 78.4(2) . 6_575 ?
Y1 Y2 Y3 66.2(4) 6_575 . ?
Y3 Y2 Y3 51.5(3) 6_575 . ?
C91 Y2 Y3 25.2(4) . . ?
C92 Y2 Y3 27.5(2) . . ?
Y4 Y2 Y3 51.8(2) . . ?
Y2 Y2 Y3 28.85(16) 6_575 . ?
Y1 Y2 Y1 80.8(4) 6_575 . ?
Y3 Y2 Y1 66.3(2) 6_575 . ?
C91 Y2 Y1 19.0(3) . . ?
C92 Y2 Y1 33.8(2) . . ?
Y4 Y2 Y1 65.8(2) . . ?
Y2 Y2 Y1 14.13(12) 6_575 . ?
Y3 Y2 Y1 14.83(9) . . ?
Y1 Y3 Y4 131.1(7) . 6_575 ?
Y1 Y3 Y2 14.7(2) . 6_575 ?
Y4 Y3 Y2 125.6(6) 6_575 6_575 ?
Y1 Y3 C92 92.9(5) . . ?
Y4 Y3 C92 65.0(6) 6_575 . ?
Y2 Y3 C92 78.6(4) 6_575 . ?
Y1 Y3 C91 70.9(4) . . ?
Y4 Y3 C91 91.6(6) 6_575 . ?
Y2 Y3 C91 56.2(3) 6_575 . ?
C92 Y3 C91 27.0(4) . . ?
Y1 Y3 C3 128.5(6) . . ?
Y4 Y3 C3 98.1(7) 6_575 . ?
Y2 Y3 C3 126.0(5) 6_575 . ?
C92 Y3 C3 96.3(4) . . ?
C91 Y3 C3 97.6(3) . . ?
Y1 Y3 Y4 126.2(4) . . ?
Y4 Y3 Y4 56.2(7) 6_575 . ?
Y2 Y3 Y4 111.5(3) 6_575 . ?
C92 Y3 Y4 36.1(4) . . ?
C91 Y3 Y4 55.3(3) . . ?
C3 Y3 Y4 65.1(3) . . ?
Y1 Y3 Y3 113.4(3) . 6_575 ?
Y4 Y3 Y3 78.4(6) 6_575 6_575 ?
Y2 Y3 Y3 99.6(2) 6_575 6_575 ?
C92 Y3 Y3 40.6(3) . 6_575 ?
C91 Y3 Y3 46.8(3) . 6_575 ?
C3 Y3 Y3 55.95(16) . 6_575 ?
Y4 Y3 Y3 22.2(2) . 6_575 ?
Y1 Y3 Y1 98.5(3) . 6_575 ?
Y4 Y3 Y1 88.1(5) 6_575 6_575 ?
Y2 Y3 Y1 84.8(2) 6_575 6_575 ?
C92 Y3 Y1 36.4(3) . 6_575 ?
C91 Y3 Y1 34.0(2) . 6_575 ?
C3 Y3 Y1 64.59(19) . 6_575 ?
Y4 Y3 Y1 33.6(2) . 6_575 ?
Y3 Y3 Y1 14.87(9) 6_575 6_575 ?
Y1 Y3 Y2 84.6(3) . . ?
Y4 Y3 Y2 95.3(5) 6_575 . ?
Y2 Y3 Y2 70.8(3) 6_575 . ?
C92 Y3 Y2 34.5(3) . . ?
C91 Y3 Y2 22.0(2) . . ?
C3 Y3 Y2 75.6(3) . . ?
Y4 Y3 Y2 45.0(2) . . ?
Y3 Y3 Y2 28.85(16) 6_575 . ?
Y1 Y3 Y2 14.11(11) 6_575 . ?
Y3 Y4 C92 79.9(5) 6_575 . ?
Y3 Y4 Y1 22.3(4) 6_575 6_575 ?
C92 Y4 Y1 73.3(4) . 6_575 ?
Y3 Y4 C91 61.0(4) 6_575 . ?
C92 Y4 C91 19.4(3) . . ?
Y1 Y4 C91 54.2(3) 6_575 . ?
Y3 Y4 C8 107.8(7) 6_575 . ?
C92 Y4 C8 104.6(6) . . ?
Y1 Y4 C8 130.0(5) 6_575 . ?
C91 Y4 C8 113.0(4) . . ?
Y3 Y4 Y4 101.6(6) 6_575 6_575 ?
C92 Y4 Y4 45.8(4) . 6_575 ?
Y1 Y4 Y4 108.6(3) 6_575 6_575 ?
C91 Y4 Y4 59.6(3) . 6_575 ?
C8 Y4 Y4 59.7(2) . 6_575 ?
Y3 Y4 Y2 34.0(5) 6_575 . ?
C92 Y4 Y2 61.6(4) . . ?
Y1 Y4 Y2 14.18(17) 6_575 . ?
C91 Y4 Y2 43.4(3) . . ?
C8 Y4 Y2 137.6(5) . . ?
Y4 Y4 Y2 101.6(2) 6_575 . ?
Y3 Y4 Y3 79.4(5) 6_575 . ?
C92 Y4 Y3 39.8(4) . . ?
Y1 Y4 Y3 87.9(3) 6_575 . ?
C91 Y4 Y3 46.0(2) . . ?
C8 Y4 Y3 67.2(3) . . ?
Y4 Y4 Y3 22.2(2) 6_575 . ?
Y2 Y4 Y3 83.2(2) . . ?
Y3 Y4 Y1 73.5(5) 6_575 . ?
C92 Y4 Y1 29.1(3) . . ?
Y1 Y4 Y1 78.4(2) 6_575 . ?
C91 Y4 Y1 33.48(19) . . ?
C8 Y4 Y1 79.7(3) . . ?
Y4 Y4 Y1 30.27(17) 6_575 . ?
Y2 Y4 Y1 72.1(2) . . ?
Y3 Y4 Y1 12.50(10) . . ?
C92 C91 Y2 107.8(5) . . ?
C92 C91 Y2 107.8(5) . 6_575 ?
Y2 C91 Y2 139.6(8) . 6_575 ?
C92 C91 Y1 85.9(5) . . ?
Y2 C91 Y1 143.4(6) . . ?
Y2 C91 Y1 26.5(2) 6_575 . ?
C92 C91 Y1 85.9(5) . 6_575 ?
Y2 C91 Y1 26.5(2) . 6_575 ?
Y2 C91 Y1 143.4(6) 6_575 6_575 ?
Y1 C91 Y1 129.5(5) . 6_575 ?
C92 C91 Y3 64.2(6) . . ?
Y2 C91 Y3 132.9(6) . . ?
Y2 C91 Y3 52.9(3) 6_575 . ?
Y1 C91 Y3 26.34(18) . . ?
Y1 C91 Y3 110.0(5) 6_575 . ?
C92 C91 Y3 64.2(6) . 6_575 ?
Y2 C91 Y3 52.9(3) . 6_575 ?
Y2 C91 Y3 132.9(6) 6_575 6_575 ?
Y1 C91 Y3 110.0(5) . 6_575 ?
Y1 C91 Y3 26.34(18) 6_575 6_575 ?
Y3 C91 Y3 86.3(5) . 6_575 ?
C92 C91 Y4 37.3(5) . . ?
Y2 C91 Y4 73.4(4) . . ?
Y2 C91 Y4 131.6(6) 6_575 . ?
Y1 C91 Y4 105.1(5) . . ?
Y1 C91 Y4 49.0(3) 6_575 . ?
Y3 C91 Y4 78.7(5) . . ?
Y3 C91 Y4 27.4(3) 6_575 . ?
C92 C91 Y4 37.3(5) . 6_575 ?
Y2 C91 Y4 131.6(6) . 6_575 ?
Y2 C91 Y4 73.4(4) 6_575 6_575 ?
Y1 C91 Y4 49.0(3) . 6_575 ?
Y1 C91 Y4 105.1(5) 6_575 6_575 ?
Y3 C91 Y4 27.4(3) . 6_575 ?
Y3 C91 Y4 78.7(5) 6_575 6_575 ?
Y4 C91 Y4 60.8(6) . 6_575 ?
C91 C92 Y4 123.3(7) . . ?
C91 C92 Y4 123.3(7) . 6_575 ?
Y4 C92 Y4 88.5(9) . 6_575 ?
C91 C92 Y3 88.8(6) . 6_575 ?
Y4 C92 Y3 35.1(4) . 6_575 ?
Y4 C92 Y3 104.0(7) 6_575 6_575 ?
C91 C92 Y3 88.8(6) . . ?
Y4 C92 Y3 104.0(7) . . ?
Y4 C92 Y3 35.1(4) 6_575 . ?
Y3 C92 Y3 98.9(6) 6_575 . ?
C91 C92 Y1 67.9(4) . . ?
Y4 C92 Y1 127.8(6) . . ?
Y4 C92 Y1 55.9(4) 6_575 . ?
Y3 C92 Y1 112.1(5) 6_575 . ?
Y3 C92 Y1 25.83(19) . . ?
C91 C92 Y1 67.9(4) . 6_575 ?
Y4 C92 Y1 55.9(4) . 6_575 ?
Y4 C92 Y1 127.8(6) 6_575 6_575 ?
Y3 C92 Y1 25.83(19) 6_575 6_575 ?
Y3 C92 Y1 112.1(5) . 6_575 ?
Y1 C92 Y1 114.3(5) . 6_575 ?
C91 C92 Y2 49.2(3) . . ?
Y4 C92 Y2 77.2(4) . . ?
Y4 C92 Y2 145.1(7) 6_575 . ?
Y3 C92 Y2 48.4(3) 6_575 . ?
Y3 C92 Y2 118.0(5) . . ?
Y1 C92 Y2 109.3(5) . . ?
Y1 C92 Y2 22.67(19) 6_575 . ?
C91 C92 Y2 49.2(3) . 6_575 ?
Y4 C92 Y2 145.1(6) . 6_575 ?
Y4 C92 Y2 77.2(4) 6_575 6_575 ?
Y3 C92 Y2 118.0(5) 6_575 6_575 ?
Y3 C92 Y2 48.4(3) . 6_575 ?
Y1 C92 Y2 22.66(19) . 6_575 ?
Y1 C92 Y2 109.3(5) 6_575 6_575 ?
Y2 C92 Y2 96.5(5) . 6_575 ?
N3 Ni N1 178.5(3) . . ?
N3 Ni N2 89.87(12) . 6_575 ?
N1 Ni N2 90.10(12) . 6_575 ?
N3 Ni N2 89.87(12) . . ?
N1 Ni N2 90.10(12) . . ?
N2 Ni N2 177.8(3) 6_575 . ?
C107 N1 C107 104.5(6) 6_575 . ?
C107 N1 Ni 127.8(3) 6_575 . ?
C107 N1 Ni 127.8(3) . . ?
C98 N2 C105 104.4(5) . . ?
C98 N2 Ni 128.1(4) . . ?
C105 N2 Ni 127.5(4) . . ?
C96 N3 C96 104.6(6) . 6_575 ?
C96 N3 Ni 127.6(3) . . ?
C96 N3 Ni 127.6(3) 6_575 . ?
C94 C93 H93A 109.5 . . ?
C94 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C94 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C95 C94 C93 111.7(5) . . ?
C95 C94 H94A 109.3 . . ?
C93 C94 H94A 109.3 . . ?
C95 C94 H94B 109.3 . . ?
C93 C94 H94B 109.3 . . ?
H94A C94 H94B 107.9 . . ?
C95 C95 C96 106.4(3) 6_575 . ?
C95 C95 C94 128.9(3) 6_575 . ?
C96 C95 C94 124.5(5) . . ?
C97 C96 N3 125.9(5) . . ?
C97 C96 C95 122.8(5) . . ?
N3 C96 C95 111.2(5) . . ?
C97 C96 C96 163.5(3) . 6_575 ?
N3 C96 C96 37.7(3) . 6_575 ?
C95 C96 C96 73.6(3) . 6_575 ?
C96 C97 C98 123.7(5) . . ?
C96 C97 H97 118.2 . . ?
C98 C97 H97 118.2 . . ?
N2 C98 C97 124.8(5) . . ?
N2 C98 C99 112.0(5) . . ?
C97 C98 C99 123.2(5) . . ?
N2 C98 C105 37.9(3) . . ?
C97 C98 C105 162.7(5) . . ?
C99 C98 C105 74.1(4) . . ?
C102 C99 C98 106.0(5) . . ?
C102 C99 C100 128.8(6) . . ?
C98 C99 C100 125.1(5) . . ?
C99 C100 C101 113.7(5) . . ?
C99 C100 H00A 108.8 . . ?
C101 C100 H00A 108.8 . . ?
C99 C100 H00B 108.8 . . ?
C101 C100 H00B 108.8 . . ?
H00A C100 H00B 107.7 . . ?
C100 C101 H01A 109.5 . . ?
C100 C101 H01B 109.5 . . ?
H01A C101 H01B 109.5 . . ?
C100 C101 H01C 109.5 . . ?
H01A C101 H01C 109.5 . . ?
H01B C101 H01C 109.5 . . ?
C99 C102 C105 106.4(5) . . ?
C99 C102 C103 128.5(6) . . ?
C105 C102 C103 125.1(5) . . ?
C102 C103 C104 113.6(5) . . ?
C102 C103 H03A 108.9 . . ?
C104 C103 H03A 108.9 . . ?
C102 C103 H03B 108.9 . . ?
C104 C103 H03B 108.9 . . ?
H03A C103 H03B 107.7 . . ?
C103 C104 H04A 109.5 . . ?
C103 C104 H04B 109.5 . . ?
H04A C104 H04B 109.5 . . ?
C103 C104 H04C 109.5 . . ?
H04A C104 H04C 109.5 . . ?
H04B C104 H04C 109.5 . . ?
N2 C105 C106 125.3(5) . . ?
N2 C105 C102 111.2(5) . . ?
C106 C105 C102 123.5(5) . . ?
N2 C105 C98 37.7(3) . . ?
C106 C105 C98 163.0(5) . . ?
C102 C105 C98 73.5(3) . . ?
C107 C106 C105 123.7(5) . . ?
C107 C106 H106 118.2 . . ?
C105 C106 H106 118.2 . . ?
N1 C107 C106 125.6(5) . . ?
N1 C107 C108 111.4(5) . . ?
C106 C107 C108 122.9(5) . . ?
N1 C107 C107 37.8(3) . 6_575 ?
C106 C107 C107 163.4(3) . 6_575 ?
C108 C107 C107 73.7(3) . 6_575 ?
C108 C108 C107 106.3(3) 6_575 . ?
C108 C108 C109 129.0(3) 6_575 . ?
C107 C108 C109 124.6(5) . . ?
C108 C109 C110 113.2(5) . . ?
C108 C109 H09A 108.9 . . ?
C110 C109 H09A 108.9 . . ?
C108 C109 H09B 108.9 . . ?
C110 C109 H09B 108.9 . . ?
H09A C109 H09B 107.8 . . ?
C109 C110 H10A 109.5 . . ?
C109 C110 H10B 109.5 . . ?
H10A C110 H10B 109.5 . . ?
C109 C110 H10C 109.5 . . ?
H10A C110 H10C 109.5 . . ?
H10B C110 H10C 109.5 . . ?
C112 C111 C116 119.6(12) . . ?
C112 C111 H111 120.2 . . ?
C116 C111 H111 120.2 . . ?
C111 C112 C113 120.5(10) . . ?
C111 C112 H112 119.7 . . ?
C113 C112 H112 119.7 . . ?
C114 C113 C112 120.1(10) . . ?
C114 C113 H113 120.0 . . ?
C112 C113 H113 120.0 . . ?
C113 C114 C115 119.1(11) . . ?
C113 C114 H114 120.4 . . ?
C115 C114 H114 120.4 . . ?
C114 C115 C116 121.3(11) . . ?
C114 C115 H115 119.4 . . ?
C116 C115 H115 119.4 . . ?
C115 C116 C111 119.4(12) . . ?
C115 C116 H116 120.3 . . ?
C111 C116 H116 120.3 . . ?
C122 C118 C120 120.0 . . ?
C122 C118 H118 120.0 . . ?
C120 C118 H118 120.0 . . ?
C117 C122 C118 120.0 . . ?
C117 C122 H122 120.0 . . ?
C118 C122 H122 120.0 . . ?
C121 C117 C122 120.0 . . ?
C121 C117 H117 120.0 . . ?
C122 C117 H117 120.0 . . ?
C117 C121 C119 120.0 . . ?
C117 C121 H121 120.0 . . ?
C119 C121 H121 120.0 . . ?
C121 C119 C120 120.0 . . ?
C121 C119 H119 120.0 . . ?
C120 C119 H119 120.0 . . ?
C119 C120 C118 120.0 . . ?
C119 C120 H120 120.0 . . ?
C118 C120 H120 120.0 . . ?

_refine_diff_density_max         0.909
_refine_diff_density_min         -1.101
_refine_diff_density_rms         0.140

####################################################################### 
# 
# 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_Y2CsC82
_database_code_depnum_ccdc_archive 'CCDC 1811906'
loop_
_audit_author_name
_audit_author_address
'Changwang Pan' 'Huazhong university of science and technology'
_audit_update_record             
;
2017-12-18 deposited with the CCDC.	2019-03-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C128.52 H54.22 N4 Ni S0.59 Y2'
_chemical_formula_weight         1909.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0051 0.0024 '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 0.0096 0.0048 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1599 0.1700 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2988 1.4604 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -1.7414 0.6769 '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                   25.3744(9)
_cell_length_b                   15.1207(6)
_cell_length_c                   19.8806(8)
_cell_angle_alpha                90
_cell_angle_beta                 94.3060(10)
_cell_angle_gamma                90
_cell_volume                     7606.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9988
_cell_measurement_theta_min      2.950
_cell_measurement_theta_max      31.077

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_F_000             3875
_exptl_transmission_factor_min   0.4818
_exptl_transmission_factor_max   0.7462
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    0.850
_shelx_estimated_absorpt_T_min   0.918
_shelx_estimated_absorpt_T_max   0.938
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.82653
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline B17U'
_diffrn_measurement_device_type  'CCD ADSC q315'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            47512
_diffrn_reflns_av_unetI/netI     0.0524
_diffrn_reflns_av_R_equivalents  0.0787
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.951
_diffrn_reflns_theta_max         30.675
_diffrn_reflns_theta_full        29.730
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_point_group_measured_fraction_full 0.972
_reflns_number_total             7564
_reflns_number_gt                6476
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.1247P)²+87.7785P] 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         7564
_refine_ls_number_parameters     1088
_refine_ls_number_restraints     5260
_refine_ls_R_factor_all          0.1235
_refine_ls_R_factor_gt           0.1156
_refine_ls_wR_factor_ref         0.2991
_refine_ls_wR_factor_gt          0.2949
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.232
_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
C83 C 0.4139(3) 0.6473(5) 0.6541(3) 0.0471(16) Uani 1 1 d . . . A 4
H83A H 0.430268 0.599737 0.629380 0.071 Uiso 1 1 calc R U . A 4
H83B H 0.441597 0.682481 0.678543 0.071 Uiso 1 1 calc R U . A 4
H83C H 0.393102 0.685244 0.622264 0.071 Uiso 1 1 calc R U . A 4
N3 N 0.5764(2) 0.500000 0.9906(3) 0.0214(12) Uani 1 2 d S T P A 4
N2 N 0.52059(15) 0.6296(3) 0.9165(2) 0.0223(9) Uani 1 1 d . . . A 4
N1 N 0.4656(2) 0.500000 0.8422(3) 0.0254(13) Uani 1 2 d S T P A 4
Ni1 Ni 0.51950(3) 0.500000 0.91801(4) 0.0181(3) Uani 1 2 d S T P A 4
C84 C 0.3779(2) 0.6072(5) 0.7043(3) 0.0404(14) Uani 1 1 d . . . A 4
H84A H 0.362150 0.655557 0.729748 0.049 Uiso 1 1 calc R U . A 4
H84B H 0.348688 0.575141 0.679061 0.049 Uiso 1 1 calc R U . A 4
C85 C 0.4064(2) 0.5448(4) 0.7533(3) 0.0321(12) Uani 1 1 d . . . A 4
C86 C 0.44269(19) 0.5722(4) 0.8086(2) 0.0264(11) Uani 1 1 d . . . A 4
C87 C 0.4536(2) 0.6581(4) 0.8251(3) 0.0282(11) Uani 1 1 d . . . A 4
H87 H 0.433878 0.702363 0.800497 0.034 Uiso 1 1 calc R U . A 4
C88 C 0.4908(2) 0.6860(3) 0.8743(3) 0.0260(11) Uani 1 1 d . . . A 4
C89 C 0.5043(2) 0.7773(4) 0.8877(3) 0.0290(11) Uani 1 1 d . . . A 4
C90 C 0.4804(2) 0.8543(4) 0.8484(4) 0.0426(15) Uani 1 1 d . . . A 4
H90A H 0.486939 0.909016 0.875067 0.051 Uiso 1 1 calc R U . A 4
H90B H 0.441697 0.845691 0.841774 0.051 Uiso 1 1 calc R U . A 4
C91 C 0.5026(3) 0.8657(5) 0.7800(4) 0.0554(19) Uani 1 1 d . . . A 4
H91A H 0.495048 0.812607 0.752659 0.083 Uiso 1 1 calc R U . A 4
H91B H 0.540898 0.874627 0.786198 0.083 Uiso 1 1 calc R U . A 4
H91C H 0.486112 0.917156 0.757041 0.083 Uiso 1 1 calc R U . A 4
C92 C 0.5427(2) 0.7771(4) 0.9389(3) 0.0297(11) Uani 1 1 d . . . A 4
C93 C 0.5722(2) 0.8538(4) 0.9717(3) 0.0383(13) Uani 1 1 d . . . A 4
H93A H 0.575946 0.844216 1.021080 0.046 Uiso 1 1 calc R U . A 4
H93B H 0.551245 0.908410 0.963026 0.046 Uiso 1 1 calc R U . A 4
C94 C 0.6273(3) 0.8668(4) 0.9460(4) 0.0476(16) Uani 1 1 d . . . A 4
H94A H 0.623847 0.878646 0.897417 0.071 Uiso 1 1 calc R U . A 4
H94B H 0.648403 0.813115 0.954715 0.071 Uiso 1 1 calc R U . A 4
H94C H 0.644918 0.916896 0.969538 0.071 Uiso 1 1 calc R U . A 4
C95 C 0.55244(19) 0.6859(3) 0.9561(2) 0.0242(10) Uani 1 1 d . . . A 4
C96 C 0.59032(19) 0.6587(3) 1.0055(2) 0.0241(10) Uani 1 1 d . . . A 4
H96 H 0.609666 0.703025 1.030636 0.029 Uiso 1 1 calc R U . A 4
C97 C 0.60175(19) 0.5718(3) 1.0206(2) 0.0229(10) Uani 1 1 d . . . A 4
C98 C 0.64378(19) 0.5445(4) 1.0691(2) 0.0247(10) Uani 1 1 d . . . A 4
C99 C 0.6818(2) 0.6068(4) 1.1061(3) 0.0310(12) Uani 1 1 d . . . A 4
H99A H 0.697798 0.577275 1.147114 0.037 Uiso 1 1 calc R U . A 4
H99B H 0.662304 0.659418 1.120450 0.037 Uiso 1 1 calc R U . A 4
C100 C 0.7260(2) 0.6367(5) 1.0620(3) 0.0473(17) Uani 1 1 d . . . A 4
H10A H 0.745332 0.584750 1.047608 0.071 Uiso 1 1 calc R U . A 4
H10B H 0.750363 0.676103 1.088230 0.071 Uiso 1 1 calc R U . A 4
H10C H 0.710412 0.668131 1.022292 0.071 Uiso 1 1 calc R U . A 4
Y2 Y 0.7024(4) 0.3829(7) 0.6357(5) 0.057(2) Uani 0.0734 1 d . . P B 3
Y3 Y 0.74783(14) 0.3983(2) 0.68860(15) 0.0343(7) Uani 0.1834 1 d . . P B 3
Y5 Y 0.68193(12) 0.4042(2) 0.74417(15) 0.0430(7) Uani 0.241 1 d . . P B 3
Y6 Y 0.7046(4) 0.500000 0.7839(4) 0.072(3) Uani 0.1104 2 d S T P B 3
Y7 Y 0.6269(4) 0.500000 0.6732(5) 0.063(3) Uani 0.1072 2 d S T P B 3
Y8 Y 0.6610(3) 0.4046(5) 0.7096(4) 0.0777(19) Uani 0.1456 1 d . . P B 3
Y9 Y 0.7580(5) 0.5209(16) 0.6291(8) 0.196(12) Uani 0.1413 1 d . . P B 3
Y10 Y 0.7692(5) 0.4341(13) 0.6904(13) 0.171(10) Uani 0.1064 1 d . . P B 3
C2 C 0.5765(5) 0.500000 0.5263(6) 0.088(4) Uani 1 2 d DS TU P . .
C9 C 0.6636(6) 0.500000 0.4802(6) 0.098(4) Uani 1 2 d DS TU P . .
C18 C 0.8674(5) 0.500000 0.6846(8) 0.107(4) Uani 1 2 d DS TU P . .
C19 C 0.8468(5) 0.500000 0.8078(8) 0.104(4) Uani 1 2 d DS TU P . .
C28 C 0.5431(5) 0.500000 0.6989(7) 0.083(3) Uani 1 2 d DS TU P . .
C77 C 0.6820(6) 0.500000 0.8907(5) 0.074(3) Uani 1 2 d DS TU P . .
C1 C 0.6160(6) 0.4553(9) 0.4948(7) 0.086(4) Uani 0.5 1 d D U P B -1
C3 C 0.5490(6) 0.4610(9) 0.5781(7) 0.077(4) Uani 0.5 1 d D U P B -1
C4 C 0.5598(9) 0.3728(12) 0.5971(8) 0.077(4) Uani 0.5 1 d D U P B -1
C5 C 0.5989(6) 0.3261(11) 0.5629(6) 0.072(4) Uani 0.5 1 d D U P B -1
C6 C 0.6277(7) 0.3658(11) 0.5137(9) 0.080(5) Uani 0.5 1 d D U P B -1
C7 C 0.6836(7) 0.3492(11) 0.5127(8) 0.079(4) Uani 0.5 1 d D U P B -1
C8 C 0.7040(12) 0.3294(19) 0.8539(15) 0.083(5) Uani 0.5 1 d . U P B -1
C10 C 0.7136(9) 0.2953(18) 0.5617(10) 0.088(5) Uani 0.5 1 d D U P B -1
C11 C 0.6832(6) 0.2519(12) 0.6116(8) 0.073(4) Uani 0.5 1 d D U P B -1
C12 C 0.6275(7) 0.2699(15) 0.6107(7) 0.073(4) Uani 0.5 1 d D U P B -1
C13 C 0.5399(6) 0.5246(10) 0.6291(7) 0.081(4) Uani 0.5 1 d D U P B -1
C14 C 0.5849(7) 0.5909(8) 0.5442(8) 0.091(4) Uani 0.5 1 d D U P B -1
C15 C 0.6731(7) 0.5901(11) 0.4988(9) 0.099(5) Uani 0.5 1 d D U P B -1
C16 C 0.7015(7) 0.4290(10) 0.4817(9) 0.101(5) Uani 0.5 1 d D U P B -1
C17 C 0.8175(7) 0.5346(12) 0.5534(9) 0.097(5) Uani 0.5 1 d D U P B -1
C20 C 0.8638(6) 0.4601(11) 0.7511(8) 0.091(4) Uani 0.5 1 d D U P B -1
C21 C 0.8449(10) 0.3694(13) 0.7446(8) 0.098(5) Uani 0.5 1 d D U P B -1
C22 C 0.7467(8) 0.6718(16) 0.5520(9) 0.095(5) Uani 0.5 1 d D U P B -1
C23 C 0.7876(7) 0.3858(11) 0.5417(7) 0.086(4) Uani 0.5 1 d D U P B -1
C24 C 0.8291(8) 0.4437(12) 0.5726(11) 0.103(5) Uani 0.5 1 d D U P B -1
C25 C 0.7296(7) 0.7598(13) 0.6473(9) 0.085(4) Uani 0.5 1 d D U P B -1
C26 C 0.6515(9) 0.7068(13) 0.5759(9) 0.092(5) Uani 0.5 1 d D U P B -1
C30 C 0.7546(8) 0.4436(13) 0.4972(11) 0.097(5) Uani 0.5 1 d D U P B -1
C29 C 0.7697(8) 0.3121(14) 0.5816(9) 0.091(5) Uani 0.5 1 d D U P B -1
C27 C 0.7076(6) 0.2323(15) 0.6786(8) 0.073(4) Uani 0.5 1 d D U P B -1
C31 C 0.5633(6) 0.3466(10) 0.6661(7) 0.064(4) Uani 0.5 1 d D U P B -1
C32 C 0.5552(8) 0.4102(10) 0.7168(8) 0.079(4) Uani 0.5 1 d D U P B -1
C33 C 0.5811(6) 0.3947(10) 0.7800(7) 0.083(4) Uani 0.5 1 d D U P B -1
C34 C 0.6151(7) 0.3196(11) 0.7919(8) 0.076(4) Uani 0.5 1 d D U P B -1
C35 C 0.6285(8) 0.2649(16) 0.7378(9) 0.090(5) Uani 0.5 1 d D U P B -1
C36 C 0.6019(6) 0.2775(11) 0.6725(7) 0.073(4) Uani 0.5 1 d D U P B -1
C37 C 0.6804(6) 0.2368(14) 0.7409(8) 0.086(4) Uani 0.5 1 d D U P B -1
C38 C 0.6330(8) 0.6349(13) 0.5325(10) 0.095(5) Uani 0.5 1 d D U P B -1
C39 C 0.7952(8) 0.2929(15) 0.6486(9) 0.093(5) Uani 0.5 1 d D U P B -1
C40 C 0.7630(6) 0.2518(10) 0.6972(7) 0.074(4) Uani 0.5 1 d D U P B -1
C41 C 0.8365(7) 0.3502(10) 0.6734(8) 0.094(5) Uani 0.5 1 d D U P B -1
C42 C 0.8533(8) 0.4285(10) 0.6370(8) 0.099(5) Uani 0.5 1 d D U P B -1
C43 C 0.8303(7) 0.6055(12) 0.6027(8) 0.094(4) Uani 0.5 1 d D U P B -1
C44 C 0.6946(7) 0.7125(11) 0.8174(9) 0.074(4) Uani 0.5 1 d D U P B -1
C45 C 0.7133(7) 0.6475(12) 0.8661(11) 0.071(5) Uani 0.5 1 d D U P B -1
C46 C 0.6544(8) 0.3463(12) 0.8463(9) 0.089(4) Uani 0.5 1 d D U P B -1
C47 C 0.6122(9) 0.7206(17) 0.7440(9) 0.105(5) Uani 0.5 1 d D U P B -1
C48 C 0.5585(10) 0.6060(12) 0.6045(10) 0.089(5) Uani 0.5 1 d D U P B -1
C49 C 0.5604(9) 0.5739(12) 0.7427(10) 0.089(5) Uani 0.5 1 d D U P B -1
C50 C 0.5755(7) 0.6582(12) 0.7155(10) 0.095(5) Uani 0.5 1 d D U P B -1
C51 C 0.5766(8) 0.6750(15) 0.6465(9) 0.094(5) Uani 0.5 1 d D U P B -1
C52 C 0.6226(9) 0.7242(17) 0.6344(10) 0.091(5) Uani 0.5 1 d D U P B -1
C53 C 0.6461(8) 0.7538(12) 0.6960(10) 0.082(4) Uani 0.5 1 d D U P B -1
C54 C 0.6996(9) 0.7695(18) 0.7050(10) 0.082(5) Uani 0.5 1 d D U P B -1
C55 C 0.7055(9) 0.7236(19) 0.5834(11) 0.093(5) Uani 0.5 1 d D U P B -1
C56 C 0.7847(8) 0.7332(15) 0.6541(8) 0.091(5) Uani 0.5 1 d D U P B -1
C57 C 0.8082(6) 0.7140(11) 0.7178(7) 0.084(4) Uani 0.5 1 d D U P B -1
C58 C 0.8449(9) 0.6402(14) 0.7256(9) 0.088(5) Uani 0.5 1 d D U P B -1
C59 C 0.8555(10) 0.5892(12) 0.6672(10) 0.103(5) Uani 0.5 1 d D U P B -1
C60 C 0.7956(7) 0.6792(13) 0.5958(8) 0.081(4) Uani 0.5 1 d D U P B -1
C61 C 0.5994(7) 0.4675(10) 0.8233(8) 0.080(4) Uani 0.5 1 d D U P B -1
C62 C 0.5881(9) 0.5536(12) 0.8057(10) 0.089(5) Uani 0.5 1 d D U P B -1
C63 C 0.7175(8) 0.2661(18) 0.7969(9) 0.082(5) Uani 0.5 1 d D U P B -1
C64 C 0.8107(8) 0.3332(13) 0.7916(9) 0.095(5) Uani 0.5 1 d D U P B -1
C65 C 0.7687(7) 0.2742(18) 0.7686(8) 0.079(5) Uani 0.5 1 d D U P B -1
C66 C 0.7305(7) 0.6063(14) 0.5085(9) 0.093(4) Uani 0.5 1 d D U P B -1
C67 C 0.7689(8) 0.5366(12) 0.5092(12) 0.103(5) Uani 0.5 1 d D U P B -1
C68 C 0.7256(8) 0.7474(16) 0.7717(10) 0.080(4) Uani 0.5 1 d D U P B -1
C69 C 0.8399(6) 0.5985(10) 0.7935(8) 0.086(4) Uani 0.5 1 d D U P B -1
C70 C 0.7996(7) 0.6520(11) 0.8246(8) 0.078(4) Uani 0.5 1 d D U P B -1
C71 C 0.7795(8) 0.7221(17) 0.7787(9) 0.081(5) Uani 0.5 1 d D U P B -1
C72 C 0.6254(6) 0.6168(11) 0.8346(8) 0.078(4) Uani 0.5 1 d D U P B -1
C73 C 0.7967(8) 0.3836(11) 0.8487(9) 0.088(5) Uani 0.5 1 d D U P B -1
C74 C 0.8164(6) 0.4723(10) 0.8578(7) 0.084(4) Uani 0.5 1 d D U P B -1
C75 C 0.7769(6) 0.5245(9) 0.8871(7) 0.073(4) Uani 0.5 1 d D U P B -1
C76 C 0.7656(7) 0.6148(12) 0.8699(12) 0.068(4) Uani 0.5 1 d D U P B -1
C78 C 0.6709(6) 0.5882(9) 0.8752(8) 0.065(4) Uani 0.5 1 d D U P B -1
C79 C 0.6439(8) 0.4365(13) 0.8657(9) 0.087(4) Uani 0.5 1 d D U P B -1
C80 C 0.7349(6) 0.4663(9) 0.8987(6) 0.069(4) Uani 0.5 1 d D U P B -1
C81 C 0.7463(8) 0.3792(12) 0.8758(12) 0.075(4) Uani 0.5 1 d D U P B -1
C82 C 0.6401(7) 0.6977(12) 0.8026(10) 0.094(5) Uani 0.5 1 d D U P B -1
C101 C 0.8399(3) 0.496(3) 0.3511(2) 0.069(6) Uani 0.5 1 d G . P C -2
H101 H 0.851401 0.495814 0.397690 0.083 Uiso 0.5 1 calc R U P C -2
C102 C 0.8767(2) 0.502(2) 0.3029(3) 0.074(5) Uani 0.5 1 d G . P C -2
H102 H 0.913283 0.506515 0.316531 0.089 Uiso 0.5 1 calc R U P C -2
C103 C 0.8599(3) 0.5028(17) 0.2347(3) 0.056(4) Uani 0.5 1 d G . P C -2
H103 H 0.884990 0.507174 0.201762 0.068 Uiso 0.5 1 calc R U P C -2
C104 C 0.8063(3) 0.4969(17) 0.2147(2) 0.069(5) Uani 0.5 1 d G . P C -2
H104 H 0.794814 0.497133 0.168152 0.083 Uiso 0.5 1 calc R U P C -2
C105 C 0.7695(3) 0.491(2) 0.2630(4) 0.054(6) Uani 0.5 1 d G . P C -2
H105 H 0.732931 0.486433 0.249309 0.064 Uiso 0.5 1 calc R U P C -2
C106 C 0.7863(3) 0.490(3) 0.3311(3) 0.052(7) Uani 0.5 1 d G . P C -2
H106 H 0.761224 0.485773 0.364079 0.062 Uiso 0.5 1 calc R U P C -2
C107 C 0.4398(5) 0.1241(14) 0.4753(8) 0.055(3) Uani 0.353 1 d G U P D -2
H107 H 0.402588 0.117613 0.467321 0.067 Uiso 0.353 1 calc R U P D -2
C108 C 0.4623(6) 0.1331(15) 0.5408(7) 0.062(3) Uani 0.353 1 d G U P D -2
H108 H 0.440529 0.132776 0.577677 0.074 Uiso 0.353 1 calc R U P D -2
C109 C 0.5167(7) 0.1426(15) 0.5525(6) 0.070(3) Uani 0.353 1 d G U P D -2
H109 H 0.532118 0.148759 0.597304 0.084 Uiso 0.353 1 calc R U P D -2
C110 C 0.5486(5) 0.1431(16) 0.4986(8) 0.064(3) Uani 0.353 1 d G U P D -2
H110 H 0.585768 0.149580 0.506576 0.077 Uiso 0.353 1 calc R U P D -2
C111 C 0.5260(6) 0.1341(15) 0.4331(6) 0.061(3) Uani 0.353 1 d G U P D -2
H111 H 0.547828 0.134417 0.396220 0.074 Uiso 0.353 1 calc R U P D -2
C112 C 0.4716(6) 0.1246(14) 0.4214(6) 0.061(3) Uani 0.353 1 d G U P D -2
H112 H 0.456239 0.118433 0.376591 0.073 Uiso 0.353 1 calc R U P D -2
S1 S 0.5039(5) 0.1251(11) 0.3955(6) 0.059(3) Uani 0.147 1 d G U P E -3
S2 S 0.4367(5) 0.1216(12) 0.5133(7) 0.065(3) Uani 0.147 1 d G U P E -3
C113 C 0.4703(4) 0.1233(8) 0.4544(6) 0.061(3) Uani 0.147 1 d G U P E -3


_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
C83 C84 1.528(9) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
N3 C97 1.375(6) 6_565 ?
N3 C97 1.375(6) . ?
N3 Ni1 1.963(6) . ?
N2 C95 1.378(6) . ?
N2 C88 1.382(6) . ?
N2 Ni1 1.960(4) . ?
N1 C86 1.385(6) 6_565 ?
N1 C86 1.385(6) . ?
N1 Ni1 1.958(6) . ?
C84 C85 1.502(8) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C85 1.354(13) 6_565 ?
C85 C86 1.443(7) . ?
C86 C87 1.362(8) . ?
C87 C88 1.373(7) . ?
C87 H87 0.9500 . ?
C88 C89 1.442(8) . ?
C89 C92 1.356(8) . ?
C89 C90 1.502(7) . ?
C90 C91 1.521(10) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C95 1.438(7) . ?
C92 C93 1.502(8) . ?
C93 C94 1.538(9) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 C96 1.384(7) . ?
C96 C97 1.374(7) . ?
C96 H96 0.9500 . ?
C97 C98 1.443(7) . ?
C98 C98 1.345(11) 6_565 ?
C98 C99 1.502(7) . ?
C99 C100 1.541(8) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
Y2 Y3 1.520(11) . ?
Y2 Y8 1.898(12) . ?
Y2 Y9 2.04(2) 6_565 ?
Y2 Y10 2.09(3) . ?
Y2 Y5 2.279(10) . ?
Y2 Y9 2.53(2) . ?
Y2 Y7 2.753(12) . ?
Y2 Y10 3.383(17) 6_565 ?
Y2 Y6 3.435(12) . ?
Y2 Y2 3.54(2) 6_565 ?
Y2 Y3 3.634(11) 6_565 ?
Y2 Y8 3.718(12) 6_565 ?
Y3 Y10 0.766(18) . ?
Y3 Y9 1.73(2) 6_565 ?
Y3 Y5 2.074(4) . ?
Y3 Y9 2.22(2) . ?
Y3 Y8 2.274(8) . ?
Y3 Y10 2.592(19) 6_565 ?
Y3 Y6 2.734(8) . ?
Y3 Y3 3.077(8) 6_565 ?
Y3 Y7 3.426(9) . ?
Y3 Y5 3.635(4) 6_565 ?
Y5 Y8 0.835(7) . ?
Y5 Y6 1.728(6) . ?
Y5 Y7 2.397(8) . ?
Y5 Y10 2.570(14) . ?
Y5 Y5 2.897(6) 6_565 ?
Y5 Y8 3.010(7) 6_565 ?
Y5 Y9 3.304(13) 6_565 ?
Y5 Y10 3.519(18) 6_565 ?
Y5 Y9 3.569(13) . ?
Y6 C77 2.240(13) . ?
Y6 Y8 2.288(11) 6_565 ?
Y6 Y8 2.288(11) . ?
Y6 Y10 2.76(2) . ?
Y6 Y10 2.76(2) 6_565 ?
Y6 Y7 2.842(14) . ?
Y7 Y8 1.806(10) 6_565 ?
Y7 Y8 1.806(10) . ?
Y7 C28 2.223(15) . ?
Y7 Y9 3.519(15) . ?
Y7 Y9 3.519(14) 6_565 ?
Y8 Y10 2.835(15) . ?
Y8 Y8 2.885(15) 6_565 ?
Y8 Y9 3.238(13) 6_565 ?
Y8 Y9 3.508(15) . ?
Y8 Y10 3.713(15) 6_565 ?
Y9 Y9 0.63(5) 6_565 ?
Y9 Y10 1.41(3) 6_565 ?
Y9 Y10 1.80(2) . ?
Y9 C18 2.93(2) . ?
Y10 Y10 1.99(4) 6_565 ?
Y10 C18 2.69(2) . ?
C2 C1 1.396(15) . ?
C2 C3 1.413(12) . ?
C2 C14 1.432(12) . ?
C9 C15 1.427(17) . ?
C9 C1 1.432(12) . ?
C9 C16 1.442(12) . ?
C18 C59 1.420(17) . ?
C18 C20 1.461(14) . ?
C18 C42 1.463(12) . ?
C19 C74 1.368(15) . ?
C19 C20 1.377(15) . ?
C19 C69 1.524(14) . ?
C28 C13 1.432(15) . ?
C28 C32 1.432(15) . ?
C28 C49 1.464(16) . ?
C77 C78 1.392(13) . ?
C77 C79 1.42(2) . ?
C77 C80 1.434(15) . ?
C1 C6 1.429(13) . ?
C3 C4 1.407(16) . ?
C3 C13 1.430(12) . ?
C4 C31 1.426(12) . ?
C4 C5 1.431(12) . ?
C5 C6 1.398(16) . ?
C5 C12 1.431(14) . ?
C6 C7 1.441(16) . ?
C7 C16 1.444(15) . ?
C7 C10 1.44(3) . ?
C8 C46 1.28(3) . ?
C8 C81 1.36(3) . ?
C8 C63 1.54(4) . ?
C10 C11 1.458(18) . ?
C10 C29 1.471(19) . ?
C11 C12 1.437(17) . ?
C11 C27 1.457(16) . ?
C12 C36 1.438(12) . ?
C13 C48 1.418(15) . ?
C14 C38 1.425(17) . ?
C14 C48 1.434(13) . ?
C15 C38 1.430(18) . ?
C15 C66 1.476(18) . ?
C16 C30 1.377(18) . ?
C17 C24 1.451(13) . ?
C17 C67 1.461(16) . ?
C17 C43 1.472(18) . ?
C20 C21 1.456(13) . ?
C21 C64 1.431(18) . ?
C21 C41 1.446(13) . ?
C22 C66 1.36(3) . ?
C22 C60 1.465(16) . ?
C22 C55 1.482(17) . ?
C23 C29 1.458(18) . ?
C23 C30 1.462(16) . ?
C23 C24 1.469(13) . ?
C24 C42 1.396(17) . ?
C25 C54 1.431(18) . ?
C25 C56 1.452(13) . ?
C25 C55 1.473(17) . ?
C26 C55 1.39(3) . ?
C26 C38 1.445(18) . ?
C26 C52 1.445(18) . ?
C30 C67 1.468(13) . ?
C29 C39 1.466(18) . ?
C27 C40 1.456(13) . ?
C27 C37 1.462(13) . ?
C31 C32 1.418(16) . ?
C31 C36 1.433(12) . ?
C32 C33 1.393(16) . ?
C33 C34 1.434(13) . ?
C33 C61 1.452(13) . ?
C34 C35 1.417(18) . ?
C34 C46 1.471(16) . ?
C35 C37 1.383(17) . ?
C35 C36 1.430(17) . ?
C37 C63 1.471(16) . ?
C39 C41 1.419(17) . ?
C39 C40 1.452(17) . ?
C40 C65 1.455(13) . ?
C41 C42 1.468(13) . ?
C43 C59 1.412(18) . ?
C43 C60 1.420(18) . ?
C44 C68 1.35(3) . ?
C44 C82 1.411(16) . ?
C44 C45 1.435(16) . ?
C45 C76 1.413(18) . ?
C45 C78 1.422(13) . ?
C46 C79 1.448(16) . ?
C47 C82 1.362(18) . ?
C47 C50 1.414(14) . ?
C47 C53 1.424(17) . ?
C48 C51 1.392(18) . ?
C49 C62 1.423(18) . ?
C49 C50 1.448(18) . ?
C50 C51 1.397(16) . ?
C51 C52 1.420(13) . ?
C52 C53 1.395(17) . ?
C53 C54 1.38(3) . ?
C54 C68 1.476(18) . ?
C56 C57 1.389(16) . ?
C56 C60 1.460(13) . ?
C57 C58 1.454(13) . ?
C57 C71 1.465(13) . ?
C58 C59 1.435(18) . ?
C58 C69 1.504(15) . ?
C61 C62 1.372(17) . ?
C61 C79 1.437(16) . ?
C62 C72 1.434(17) . ?
C63 C65 1.460(16) . ?
C64 C73 1.434(18) . ?
C64 C65 1.439(17) . ?
C66 C67 1.436(19) . ?
C68 C71 1.415(18) . ?
C69 C70 1.474(13) . ?
C70 C76 1.411(17) . ?
C70 C71 1.465(16) . ?
C72 C78 1.426(15) . ?
C72 C82 1.441(13) . ?
C73 C81 1.427(16) . ?
C73 C74 1.437(13) . ?
C74 C75 1.434(12) . ?
C75 C80 1.415(12) . ?
C75 C76 1.431(17) . ?
C80 C81 1.430(15) . ?
C101 C102 1.3900 . ?
C101 C106 1.3900 . ?
C101 H101 0.9500 . ?
C102 C103 1.3900 . ?
C102 H102 0.9500 . ?
C103 C104 1.3900 . ?
C103 H103 0.9500 . ?
C104 C105 1.3900 . ?
C104 H104 0.9500 . ?
C105 C106 1.3900 . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C107 C108 1.3900 . ?
C107 C112 1.3900 . ?
C107 H107 0.9500 . ?
C108 C109 1.3900 . ?
C108 H108 0.9500 . ?
C109 C110 1.3900 . ?
C109 H109 0.9500 . ?
C110 C111 1.3900 . ?
C110 H110 0.9500 . ?
C111 C112 1.3900 . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
S1 C113 1.4993 . ?
S2 C113 1.4994 . ?

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
C84 C83 H83A 109.5 . . ?
C84 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C84 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C97 N3 C97 104.2(6) 6_565 . ?
C97 N3 Ni1 127.9(3) 6_565 . ?
C97 N3 Ni1 127.9(3) . . ?
C95 N2 C88 103.7(4) . . ?
C95 N2 Ni1 128.1(3) . . ?
C88 N2 Ni1 128.2(3) . . ?
C86 N1 C86 104.1(6) 6_565 . ?
C86 N1 Ni1 127.9(3) 6_565 . ?
C86 N1 Ni1 127.9(3) . . ?
N1 Ni1 N2 89.91(12) . . ?
N2 Ni1 N2 177.6(2) 6_565 . ?
N1 Ni1 N3 177.0(2) . . ?
N2 Ni1 N3 90.03(12) 6_565 . ?
N2 Ni1 N3 90.03(12) . . ?
C85 C84 C83 112.9(5) . . ?
C85 C84 H84A 109.0 . . ?
C83 C84 H84A 109.0 . . ?
C85 C84 H84B 109.0 . . ?
C83 C84 H84B 109.0 . . ?
H84A C84 H84B 107.8 . . ?
C85 C85 C86 106.7(3) 6_565 . ?
C85 C85 C84 129.0(4) 6_565 . ?
C86 C85 C84 124.2(6) . . ?
C87 C86 N1 124.4(5) . . ?
C87 C86 C85 124.4(5) . . ?
N1 C86 C85 111.2(5) . . ?
C86 C87 C88 125.5(5) . . ?
C86 C87 H87 117.2 . . ?
C88 C87 H87 117.2 . . ?
C87 C88 N2 123.9(5) . . ?
C87 C88 C89 124.5(5) . . ?
N2 C88 C89 111.6(5) . . ?
C92 C89 C88 106.5(5) . . ?
C92 C89 C90 129.1(5) . . ?
C88 C89 C90 124.4(5) . . ?
C89 C90 C91 113.0(5) . . ?
C89 C90 H90A 109.0 . . ?
C91 C90 H90A 109.0 . . ?
C89 C90 H90B 109.0 . . ?
C91 C90 H90B 109.0 . . ?
H90A C90 H90B 107.8 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C89 C92 C95 106.4(5) . . ?
C89 C92 C93 129.1(5) . . ?
C95 C92 C93 124.5(5) . . ?
C92 C93 C94 113.0(5) . . ?
C92 C93 H93A 109.0 . . ?
C94 C93 H93A 109.0 . . ?
C92 C93 H93B 109.0 . . ?
C94 C93 H93B 109.0 . . ?
H93A C93 H93B 107.8 . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
N2 C95 C96 124.6(5) . . ?
N2 C95 C92 111.9(5) . . ?
C96 C95 C92 123.4(5) . . ?
C97 C96 C95 124.2(5) . . ?
C97 C96 H96 117.9 . . ?
C95 C96 H96 117.9 . . ?
C96 C97 N3 125.2(5) . . ?
C96 C97 C98 123.6(5) . . ?
N3 C97 C98 111.3(4) . . ?
C98 C98 C97 106.6(3) 6_565 . ?
C98 C98 C99 128.9(3) 6_565 . ?
C97 C98 C99 124.3(5) . . ?
C98 C99 C100 111.9(4) . . ?
C98 C99 H99A 109.2 . . ?
C100 C99 H99A 109.2 . . ?
C98 C99 H99B 109.2 . . ?
C100 C99 H99B 109.2 . . ?
H99A C99 H99B 107.9 . . ?
C99 C100 H10A 109.5 . . ?
C99 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
Y3 Y2 Y8 82.6(5) . . ?
Y3 Y2 Y10 16.3(5) . . ?
Y8 Y2 Y10 90.4(7) . . ?
Y9 Y2 Y10 39.8(7) 6_565 . ?
Y3 Y2 Y5 62.5(3) . . ?
Y8 Y2 Y5 20.6(3) . . ?
Y9 Y2 Y5 99.7(5) 6_565 . ?
Y10 Y2 Y5 71.9(7) . . ?
Y3 Y2 Y9 60.8(5) . . ?
Y8 Y2 Y9 103.9(5) . . ?
Y9 Y2 Y9 10.1(8) 6_565 . ?
Y10 Y2 Y9 44.6(6) . . ?
Y5 Y2 Y9 95.7(5) . . ?
Y3 Y2 Y7 102.8(5) . . ?
Y8 Y2 Y7 40.7(4) . . ?
Y9 Y2 Y7 93.3(6) 6_565 . ?
Y10 Y2 Y7 100.0(7) . . ?
Y5 Y2 Y7 55.9(3) . . ?
Y9 Y2 Y7 83.5(5) . . ?
Y3 Y2 Y10 46.8(6) . 6_565 ?
Y8 Y2 Y10 84.4(5) . 6_565 ?
Y9 Y2 Y10 26.3(4) 6_565 6_565 ?
Y10 Y2 Y10 33.2(7) . 6_565 ?
Y5 Y2 Y10 74.0(5) . 6_565 ?
Y9 Y2 Y10 22.0(5) . 6_565 ?
Y7 Y2 Y10 74.3(4) . 6_565 ?
Y3 Y2 Y6 50.5(3) . . ?
Y8 Y2 Y6 38.8(3) . . ?
Y9 Y2 Y6 73.8(4) 6_565 . ?
Y10 Y2 Y6 53.3(6) . . ?
Y5 Y2 Y6 26.52(18) . . ?
Y9 Y2 Y6 69.3(4) . . ?
Y7 Y2 Y6 53.3(3) . . ?
Y10 Y2 Y6 47.7(4) 6_565 . ?
Y10 Y3 Y2 129.7(17) . . ?
Y10 Y3 Y5 122.8(18) . . ?
Y2 Y3 Y5 77.0(4) . . ?
Y9 Y3 Y5 120.0(5) 6_565 . ?
Y10 Y3 Y9 47.6(15) . . ?
Y2 Y3 Y9 82.6(7) . . ?
Y9 Y3 Y9 11.6(9) 6_565 . ?
Y5 Y3 Y9 112.2(4) . . ?
Y10 Y3 Y8 130.9(14) . . ?
Y2 Y3 Y8 55.9(4) . . ?
Y9 Y3 Y8 107.0(6) 6_565 . ?
Y5 Y3 Y8 21.52(19) . . ?
Y9 Y3 Y8 102.5(4) . . ?
Y10 Y3 Y10 32.9(11) . 6_565 ?
Y2 Y3 Y10 107.8(7) . 6_565 ?
Y9 Y3 Y10 43.8(7) 6_565 6_565 ?
Y5 Y3 Y10 97.3(4) . 6_565 ?
Y9 Y3 Y10 32.9(8) . 6_565 ?
Y8 Y3 Y10 99.3(4) . 6_565 ?
Y10 Y3 Y6 83.6(18) . . ?
Y2 Y3 Y6 104.1(4) . . ?
Y9 Y3 Y6 99.5(5) 6_565 . ?
Y5 Y3 Y6 39.2(2) . . ?
Y9 Y3 Y6 88.2(5) . . ?
Y8 Y3 Y6 53.4(3) . . ?
Y10 Y3 Y6 62.3(4) 6_565 . ?
Y10 Y3 Y7 108.3(11) . . ?
Y2 Y3 Y7 51.6(4) . . ?
Y9 Y3 Y7 78.5(5) 6_565 . ?
Y5 Y3 Y7 43.59(19) . . ?
Y9 Y3 Y7 73.6(3) . . ?
Y8 Y3 Y7 28.9(2) . . ?
Y10 Y3 Y7 75.4(4) 6_565 . ?
Y6 Y3 Y7 53.5(3) . . ?
Y3 Y3 Y7 63.32(10) 6_565 . ?
Y8 Y5 Y6 122.6(7) . . ?
Y8 Y5 Y3 92.9(6) . . ?
Y6 Y5 Y3 91.5(4) . . ?
Y8 Y5 Y2 53.0(6) . . ?
Y6 Y5 Y2 117.4(4) . . ?
Y3 Y5 Y2 40.5(3) . . ?
Y8 Y5 Y7 37.4(6) . . ?
Y6 Y5 Y7 85.5(3) . . ?
Y3 Y5 Y7 99.8(3) . . ?
Y2 Y5 Y7 72.1(4) . . ?
Y8 Y5 Y10 99.8(8) . . ?
Y6 Y5 Y10 77.0(7) . . ?
Y3 Y5 Y10 14.5(6) . . ?
Y2 Y5 Y10 50.7(7) . . ?
Y7 Y5 Y10 97.5(4) . . ?
Y8 Y5 Y10 96.9(7) . 6_565 ?
Y6 Y5 Y10 50.3(4) . 6_565 ?
Y3 Y5 Y10 47.0(3) . 6_565 ?
Y2 Y5 Y10 67.5(4) . 6_565 ?
Y7 Y5 Y10 75.7(5) . 6_565 ?
Y10 Y5 Y10 33.9(6) . 6_565 ?
Y5 Y5 Y10 46.0(3) 6_565 6_565 ?
Y8 Y5 Y10 50.7(4) 6_565 6_565 ?
Y9 Y5 Y10 30.4(4) 6_565 6_565 ?
Y8 Y5 Y9 79.1(6) . . ?
Y6 Y5 Y9 72.6(5) . . ?
Y3 Y5 Y9 35.2(3) . . ?
Y2 Y5 Y9 44.8(5) . . ?
Y7 Y5 Y9 69.1(4) . . ?
Y10 Y5 Y9 28.6(4) . . ?
Y5 Y5 Y9 60.4(4) 6_565 . ?
Y8 Y5 Y9 58.2(3) 6_565 . ?
Y9 Y5 Y9 9.6(7) 6_565 . ?
Y10 Y5 Y9 22.9(5) 6_565 . ?
Y5 Y6 C77 109.5(4) . . ?
Y5 Y6 C77 109.5(4) 6_565 . ?
C77 Y6 Y8 117.8(5) . 6_565 ?
Y5 Y6 Y8 17.9(2) . . ?
Y5 Y6 Y8 96.1(5) 6_565 . ?
C77 Y6 Y8 117.8(5) . . ?
Y8 Y6 Y8 78.2(5) 6_565 . ?
Y5 Y6 Y3 49.3(2) . . ?
Y5 Y6 Y3 107.0(4) 6_565 . ?
C77 Y6 Y3 143.3(2) . . ?
Y8 Y6 Y3 96.1(4) 6_565 . ?
Y8 Y6 Y3 52.9(3) . . ?
C77 Y6 Y3 143.3(2) . 6_565 ?
Y5 Y6 Y10 65.3(5) . . ?
Y5 Y6 Y10 100.9(5) 6_565 . ?
C77 Y6 Y10 147.9(6) . . ?
Y8 Y6 Y10 94.3(5) 6_565 . ?
Y8 Y6 Y10 67.6(6) . . ?
Y3 Y6 Y10 16.0(4) . . ?
Y3 Y6 Y10 56.3(4) 6_565 . ?
Y5 Y6 Y10 100.9(5) . 6_565 ?
Y5 Y6 Y10 65.3(5) 6_565 6_565 ?
C77 Y6 Y10 147.9(6) . 6_565 ?
Y8 Y6 Y10 67.6(6) 6_565 6_565 ?
Y8 Y6 Y10 94.3(5) . 6_565 ?
Y3 Y6 Y10 56.3(4) . 6_565 ?
Y3 Y6 Y10 16.0(4) 6_565 6_565 ?
Y10 Y6 Y10 42.4(7) . 6_565 ?
Y5 Y6 Y7 57.2(3) . . ?
Y5 Y6 Y7 57.2(3) 6_565 . ?
C77 Y6 Y7 121.5(6) . . ?
Y8 Y6 Y7 39.4(3) 6_565 . ?
Y8 Y6 Y7 39.4(3) . . ?
Y3 Y6 Y7 75.8(3) . . ?
Y3 Y6 Y7 75.8(3) 6_565 . ?
Y10 Y6 Y7 83.7(6) . . ?
Y10 Y6 Y7 83.7(6) 6_565 . ?
C77 Y6 Y2 145.5(3) . 6_565 ?
Y5 Y6 Y2 36.1(3) . . ?
Y5 Y6 Y2 93.2(4) 6_565 . ?
C77 Y6 Y2 145.5(3) . . ?
Y8 Y6 Y2 78.2(4) 6_565 . ?
Y8 Y6 Y2 31.3(3) . . ?
Y3 Y6 Y2 25.4(2) . . ?
Y3 Y6 Y2 71.1(3) 6_565 . ?
Y10 Y6 Y2 37.5(5) . . ?
Y10 Y6 Y2 65.2(4) 6_565 . ?
Y7 Y6 Y2 50.9(3) . . ?
Y2 Y6 Y2 62.1(4) 6_565 . ?
Y8 Y7 Y8 106.0(7) 6_565 . ?
Y8 Y7 C28 110.2(5) 6_565 . ?
Y8 Y7 C28 110.2(5) . . ?
Y8 Y7 Y5 90.3(5) 6_565 . ?
Y8 Y7 Y5 16.3(3) . . ?
C28 Y7 Y5 112.9(5) . . ?
C28 Y7 Y5 112.9(5) . 6_565 ?
Y8 Y7 Y2 107.4(5) 6_565 . ?
Y8 Y7 Y2 43.3(4) . . ?
C28 Y7 Y2 139.4(3) . . ?
Y5 Y7 Y2 52.0(3) . . ?
Y5 Y7 Y2 99.3(4) 6_565 . ?
C28 Y7 Y2 139.4(3) . 6_565 ?
Y8 Y7 Y6 53.5(3) 6_565 . ?
Y8 Y7 Y6 53.5(3) . . ?
C28 Y7 Y6 116.2(6) . . ?
Y5 Y7 Y6 37.29(16) . . ?
Y5 Y7 Y6 37.29(16) 6_565 . ?
Y2 Y7 Y6 75.7(3) . . ?
Y2 Y7 Y6 75.7(3) 6_565 . ?
Y8 Y7 Y3 85.6(4) 6_565 . ?
Y8 Y7 Y3 37.4(3) . . ?
C28 Y7 Y3 147.7(3) . . ?
Y5 Y7 Y3 36.63(15) . . ?
Y5 Y7 Y3 74.9(2) 6_565 . ?
Y2 Y7 Y3 25.6(2) . . ?
Y2 Y7 Y3 71.1(3) 6_565 . ?
Y6 Y7 Y3 50.7(2) . . ?
C28 Y7 Y3 147.7(3) . 6_565 ?
Y8 Y7 Y9 66.1(5) 6_565 . ?
Y8 Y7 Y9 74.8(5) . . ?
C28 Y7 Y9 174.7(4) . . ?
Y5 Y7 Y9 71.4(4) . . ?
Y5 Y7 Y9 64.7(4) 6_565 . ?
Y2 Y7 Y9 45.5(5) . . ?
Y2 Y7 Y9 35.3(5) 6_565 . ?
Y6 Y7 Y9 65.1(4) . . ?
Y3 Y7 Y9 37.3(3) . . ?
Y3 Y7 Y9 28.9(4) 6_565 . ?
C28 Y7 Y9 174.7(4) . 6_565 ?
Y5 Y8 Y7 126.2(8) . . ?
Y5 Y8 Y2 106.4(8) . . ?
Y7 Y8 Y2 95.9(6) . . ?
Y5 Y8 Y3 65.6(5) . . ?
Y7 Y8 Y3 113.7(4) . . ?
Y2 Y8 Y3 41.5(4) . . ?
Y5 Y8 Y6 39.5(5) . . ?
Y7 Y8 Y6 87.1(4) . . ?
Y2 Y8 Y6 109.9(5) . . ?
Y3 Y8 Y6 73.6(3) . . ?
Y5 Y8 Y10 63.3(7) . . ?
Y7 Y8 Y10 105.1(5) . . ?
Y2 Y8 Y10 47.6(7) . . ?
Y3 Y8 Y10 11.8(5) . . ?
Y6 Y8 Y10 64.1(7) . . ?
Y5 Y8 Y9 87.4(6) . . ?
Y7 Y8 Y9 75.4(5) . . ?
Y2 Y8 Y9 44.4(5) . . ?
Y3 Y8 Y9 38.3(3) . . ?
Y6 Y8 Y9 70.0(4) . . ?
Y10 Y8 Y9 30.7(4) . . ?
Y8 Y8 Y9 59.9(4) 6_565 . ?
Y5 Y8 Y9 60.3(4) 6_565 . ?
Y9 Y8 Y9 9.7(7) 6_565 . ?
Y5 Y8 Y10 70.2(6) . 6_565 ?
Y7 Y8 Y10 76.7(5) . 6_565 ?
Y2 Y8 Y10 65.0(5) . 6_565 ?
Y3 Y8 Y10 43.6(3) . 6_565 ?
Y6 Y8 Y10 47.7(4) . 6_565 ?
Y10 Y8 Y10 32.0(6) . 6_565 ?
Y8 Y8 Y10 48.9(3) 6_565 6_565 ?
Y5 Y8 Y10 43.4(2) 6_565 6_565 ?
Y9 Y8 Y10 29.0(4) 6_565 6_565 ?
Y9 Y8 Y10 22.2(5) . 6_565 ?
Y9 Y9 Y10 119.0(13) 6_565 6_565 ?
Y9 Y9 Y10 43.2(12) 6_565 . ?
Y10 Y9 Y10 76(2) 6_565 . ?
Y3 Y9 Y10 94.3(10) 6_565 . ?
Y9 Y9 Y3 33.6(5) 6_565 . ?
Y10 Y9 Y3 88.1(11) 6_565 . ?
Y3 Y9 Y3 101.3(5) 6_565 . ?
Y10 Y9 Y3 18.3(8) . . ?
Y2 Y9 Y3 116.9(5) 6_565 . ?
Y9 Y9 Y2 34.4(4) 6_565 . ?
Y10 Y9 Y2 115.6(10) 6_565 . ?
Y3 Y9 Y2 115.7(5) 6_565 . ?
Y10 Y9 Y2 54.8(10) . . ?
Y2 Y9 Y2 101.1(7) 6_565 . ?
Y3 Y9 Y2 36.6(4) . . ?
Y9 Y9 C18 83.8(5) 6_565 . ?
Y10 Y9 C18 66.5(10) 6_565 . ?
Y3 Y9 C18 90.3(8) 6_565 . ?
Y10 Y9 C18 64.5(8) . . ?
Y2 Y9 C18 134.0(11) 6_565 . ?
Y3 Y9 C18 81.6(5) . . ?
Y2 Y9 C18 114.2(7) . . ?
C18 Y9 Y8 125.8(7) . 6_565 ?
C18 Y9 Y5 111.3(7) . 6_565 ?
Y9 Y9 Y6 84.8(4) 6_565 . ?
Y10 Y9 Y6 48.9(8) 6_565 . ?
Y3 Y9 Y6 51.0(3) 6_565 . ?
Y10 Y9 Y6 52.0(7) . . ?
Y2 Y9 Y6 71.9(4) 6_565 . ?
Y3 Y9 Y6 51.9(2) . . ?
Y2 Y9 Y6 67.8(3) . . ?
C18 Y9 Y6 94.5(6) . . ?
Y8 Y9 Y6 39.7(2) 6_565 . ?
Y5 Y9 Y6 29.42(14) 6_565 . ?
Y9 Y9 Y8 59.9(4) 6_565 . ?
Y10 Y9 Y8 87.1(8) 6_565 . ?
Y3 Y9 Y8 84.0(3) 6_565 . ?
Y10 Y9 Y8 53.5(6) . . ?
Y2 Y9 Y8 79.4(4) 6_565 . ?
Y3 Y9 Y8 39.3(3) . . ?
Y2 Y9 Y8 31.7(3) . . ?
C18 Y9 Y8 116.9(6) . . ?
Y8 Y9 Y8 50.4(3) 6_565 . ?
Y5 Y9 Y8 52.34(18) 6_565 . ?
Y6 Y9 Y8 38.3(2) . . ?
Y3 Y10 Y9 114(2) . . ?
Y9 Y10 Y9 17.9(14) 6_565 . ?
Y3 Y10 Y10 135.0(11) . 6_565 ?
Y9 Y10 Y10 61.0(13) 6_565 6_565 ?
Y9 Y10 Y10 43.2(12) . 6_565 ?
Y3 Y10 Y2 33.9(13) . . ?
Y9 Y10 Y2 68.0(12) 6_565 . ?
Y9 Y10 Y2 80.6(12) . . ?
Y10 Y10 Y2 111.7(5) 6_565 . ?
Y3 Y10 Y5 42.7(12) . . ?
Y9 Y10 Y5 108.8(9) 6_565 . ?
Y9 Y10 Y5 108.3(7) . . ?
Y10 Y10 Y5 100.1(4) 6_565 . ?
Y2 Y10 Y5 57.4(4) . . ?
Y3 Y10 C18 156.1(17) . . ?
Y9 Y10 C18 84.9(9) 6_565 . ?
Y9 Y10 C18 78.5(8) . . ?
Y10 Y10 C18 68.3(4) 6_565 . ?
Y2 Y10 C18 146.1(12) . . ?
Y5 Y10 C18 155.7(13) . . ?
Y3 Y10 C18 80.3(5) 6_565 . ?
Y3 Y10 Y6 80.3(15) . . ?
Y9 Y10 Y6 108.5(9) 6_565 . ?
Y9 Y10 Y6 97.0(8) . . ?
Y10 Y10 Y6 68.8(3) 6_565 . ?
Y2 Y10 Y6 89.1(5) . . ?
Y5 Y10 Y6 37.6(3) . . ?
Y3 Y10 Y6 61.4(5) 6_565 . ?
C18 Y10 Y6 119.6(11) . . ?
Y3 Y10 Y8 37.4(10) . . ?
Y9 Y10 Y8 93.4(9) 6_565 . ?
Y9 Y10 Y8 95.8(7) . . ?
Y10 Y10 Y8 99.0(4) 6_565 . ?
Y2 Y10 Y8 42.0(4) . . ?
Y5 Y10 Y8 16.88(17) . . ?
Y3 Y10 Y8 87.2(4) 6_565 . ?
C18 Y10 Y8 166.4(10) . . ?
Y6 Y10 Y8 48.3(3) . . ?
C18 Y10 Y2 97.3(5) . 6_565 ?
C18 Y10 Y5 111.2(7) . 6_565 ?
C1 C2 C3 122.3(9) . . ?
C1 C2 C14 118.5(12) . . ?
C3 C2 C14 107.0(10) . . ?
C15 C9 C1 121.8(12) . . ?
C15 C9 C16 127.3(13) . . ?
C1 C9 C16 102.5(8) . . ?
C59 C18 C20 125.9(14) . . ?
C59 C18 C42 120.4(14) . . ?
C20 C18 C42 104.5(9) . . ?
C59 C18 Y10 58.5(12) . 6_565 ?
C20 C18 Y10 89.6(11) . 6_565 ?
C42 C18 Y10 96.8(11) . 6_565 ?
Y10 C18 Y10 43.4(7) . 6_565 ?
C59 C18 Y9 80.3(12) . 6_565 ?
C20 C18 Y9 100.0(9) . 6_565 ?
C42 C18 Y9 59.8(10) . 6_565 ?
Y10 C18 Y9 37.0(5) . . ?
Y10 C18 Y9 28.6(6) 6_565 . ?
Y9 C18 Y9 12.4(10) 6_565 . ?
C74 C19 C20 133.5(10) . . ?
C74 C19 C69 111.8(12) . . ?
C20 C19 C69 108.3(13) . . ?
C13 C28 C32 118.9(10) . . ?
C13 C28 C49 111.7(10) . . ?
C32 C28 C49 121.8(13) . . ?
C78 C77 C79 116.6(15) . . ?
C78 C77 C80 122.4(11) . . ?
C79 C77 C80 113.9(10) . . ?
C2 C1 C6 118.8(12) . . ?
C2 C1 C9 120.5(12) . . ?
C6 C1 C9 109.8(10) . . ?
C4 C3 C2 119.6(12) . . ?
C4 C3 C13 119.1(12) . . ?
C2 C3 C13 110.6(10) . . ?
C3 C4 C31 121.2(14) . . ?
C3 C4 C5 117.9(14) . . ?
C31 C4 C5 109.0(11) . . ?
C6 C5 C12 117.1(15) . . ?
C6 C5 C4 122.4(14) . . ?
C12 C5 C4 108.2(10) . . ?
C5 C6 C1 118.8(13) . . ?
C5 C6 C7 120.0(14) . . ?
C1 C6 C7 110.3(11) . . ?
C6 C7 C16 101.7(11) . . ?
C6 C7 C10 124.0(15) . . ?
C16 C7 C10 126.3(16) . . ?
C46 C8 C81 132(3) . . ?
C46 C8 C63 108(2) . . ?
C81 C8 C63 112(2) . . ?
C7 C10 C11 115.7(17) . . ?
C7 C10 C29 122.4(19) . . ?
C11 C10 C29 116.5(16) . . ?
C12 C11 C27 113.6(13) . . ?
C12 C11 C10 118.5(16) . . ?
C27 C11 C10 120.3(14) . . ?
C5 C12 C11 124.7(16) . . ?
C5 C12 C36 106.4(10) . . ?
C11 C12 C36 120.7(13) . . ?
C48 C13 C3 105.2(10) . . ?
C48 C13 C28 124.3(14) . . ?
C3 C13 C28 120.8(11) . . ?
C38 C14 C2 121.4(14) . . ?
C38 C14 C48 121.5(14) . . ?
C2 C14 C48 106.9(10) . . ?
C9 C15 C38 117.5(15) . . ?
C9 C15 C66 109.8(15) . . ?
C38 C15 C66 126.1(16) . . ?
C30 C16 C9 121.8(15) . . ?
C30 C16 C7 111.9(16) . . ?
C9 C16 C7 113.5(11) . . ?
C24 C17 C67 108.9(11) . . ?
C24 C17 C43 119.1(16) . . ?
C67 C17 C43 121.2(17) . . ?
C19 C20 C21 111.3(13) . . ?
C19 C20 C18 127.2(14) . . ?
C21 C20 C18 110.6(10) . . ?
C64 C21 C41 120.7(15) . . ?
C64 C21 C20 121.0(16) . . ?
C41 C21 C20 107.4(11) . . ?
C66 C22 C60 130(2) . . ?
C66 C22 C55 117.6(18) . . ?
C60 C22 C55 107.5(12) . . ?
C29 C23 C30 126.7(16) . . ?
C29 C23 C24 118.1(14) . . ?
C30 C23 C24 104.9(11) . . ?
C42 C24 C17 117.6(16) . . ?
C42 C24 C23 122.5(15) . . ?
C17 C24 C23 109.3(11) . . ?
C54 C25 C56 121.4(16) . . ?
C54 C25 C55 121.2(18) . . ?
C56 C25 C55 108.1(11) . . ?
C55 C26 C38 118(2) . . ?
C55 C26 C52 115.9(18) . . ?
C38 C26 C52 117.1(16) . . ?
C16 C30 C23 123.1(18) . . ?
C16 C30 C67 114.6(16) . . ?
C23 C30 C67 110.6(11) . . ?
C23 C29 C39 120.7(15) . . ?
C23 C29 C10 108.7(17) . . ?
C39 C29 C10 124.2(15) . . ?
C40 C27 C11 121.8(14) . . ?
C40 C27 C37 106.4(10) . . ?
C11 C27 C37 124.7(14) . . ?
C32 C31 C4 119.6(13) . . ?
C32 C31 C36 124.5(13) . . ?
C4 C31 C36 106.3(10) . . ?
C33 C32 C31 116.3(13) . . ?
C33 C32 C28 117.5(13) . . ?
C31 C32 C28 120.3(13) . . ?
C32 C33 C34 121.2(13) . . ?
C32 C33 C61 120.9(14) . . ?
C34 C33 C61 110.0(10) . . ?
C35 C34 C33 120.8(14) . . ?
C35 C34 C46 122.0(16) . . ?
C33 C34 C46 105.7(11) . . ?
C37 C35 C34 115.4(17) . . ?
C37 C35 C36 117.6(14) . . ?
C34 C35 C36 119.2(15) . . ?
C35 C36 C31 116.8(13) . . ?
C35 C36 C12 123.6(13) . . ?
C31 C36 C12 109.4(10) . . ?
C35 C37 C27 119.0(14) . . ?
C35 C37 C63 119.5(18) . . ?
C27 C37 C63 109.9(11) . . ?
C14 C38 C15 120.2(16) . . ?
C14 C38 C26 119.9(15) . . ?
C15 C38 C26 115.2(17) . . ?
C41 C39 C40 117.9(15) . . ?
C41 C39 C29 117.3(15) . . ?
C40 C39 C29 117.2(14) . . ?
C39 C40 C65 122.0(14) . . ?
C39 C40 C27 120.0(13) . . ?
C65 C40 C27 108.5(10) . . ?
C39 C41 C21 120.9(15) . . ?
C39 C41 C42 123.7(14) . . ?
C21 C41 C42 107.1(11) . . ?
C24 C42 C18 122.8(15) . . ?
C24 C42 C41 117.4(14) . . ?
C18 C42 C41 110.1(10) . . ?
C59 C43 C60 117.3(14) . . ?
C59 C43 C17 122.6(16) . . ?
C60 C43 C17 113.9(16) . . ?
C68 C44 C82 122.1(17) . . ?
C68 C44 C45 122.7(18) . . ?
C82 C44 C45 107.5(11) . . ?
C76 C45 C78 119.2(15) . . ?
C76 C45 C44 122.5(16) . . ?
C78 C45 C44 107.6(11) . . ?
C8 C46 C79 111(2) . . ?
C8 C46 C34 130(2) . . ?
C79 C46 C34 109.0(12) . . ?
C82 C47 C50 117.2(18) . . ?
C82 C47 C53 111(2) . . ?
C50 C47 C53 112.3(13) . . ?
C51 C48 C13 123.1(18) . . ?
C51 C48 C14 117.8(14) . . ?
C13 C48 C14 109.8(11) . . ?
C62 C49 C50 113.1(15) . . ?
C62 C49 C28 117.7(15) . . ?
C50 C49 C28 121.7(16) . . ?
C51 C50 C47 102.2(11) . . ?
C51 C50 C49 123.5(18) . . ?
C47 C50 C49 128.5(17) . . ?
C48 C51 C50 115.0(19) . . ?
C48 C51 C52 121.9(16) . . ?
C50 C51 C52 109.8(12) . . ?
C53 C52 C51 108.8(12) . . ?
C53 C52 C26 123.7(18) . . ?
C51 C52 C26 121.0(16) . . ?
C54 C53 C52 121.5(18) . . ?
C54 C53 C47 127.8(19) . . ?
C52 C53 C47 103.6(12) . . ?
C53 C54 C25 117.2(19) . . ?
C53 C54 C68 116.7(19) . . ?
C25 C54 C68 117.8(17) . . ?
C26 C55 C25 120.1(19) . . ?
C26 C55 C22 125(2) . . ?
C25 C55 C22 107.5(12) . . ?
C57 C56 C25 119.2(15) . . ?
C57 C56 C60 120.8(15) . . ?
C25 C56 C60 108.6(11) . . ?
C56 C57 C58 119.1(14) . . ?
C56 C57 C71 122.0(15) . . ?
C58 C57 C71 109.3(11) . . ?
C59 C58 C57 118.8(15) . . ?
C59 C58 C69 122.4(17) . . ?
C57 C58 C69 108.7(10) . . ?
C43 C59 C18 117.5(16) . . ?
C43 C59 C58 122.8(15) . . ?
C18 C59 C58 111.2(16) . . ?
C43 C60 C56 121.0(15) . . ?
C43 C60 C22 119.2(17) . . ?
C56 C60 C22 108.3(11) . . ?
C62 C61 C79 126.8(16) . . ?
C62 C61 C33 121.2(15) . . ?
C79 C61 C33 107.6(11) . . ?
C61 C62 C49 120.6(16) . . ?
C61 C62 C72 114.2(17) . . ?
C49 C62 C72 118.5(15) . . ?
C65 C63 C37 105.6(11) . . ?
C65 C63 C8 119.1(19) . . ?
C37 C63 C8 125(2) . . ?
C21 C64 C73 120.8(16) . . ?
C21 C64 C65 120.0(15) . . ?
C73 C64 C65 111.1(17) . . ?
C64 C65 C40 118.2(14) . . ?
C64 C65 C63 126.0(18) . . ?
C40 C65 C63 109.3(11) . . ?
C22 C66 C67 110.8(18) . . ?
C22 C66 C15 117.1(18) . . ?
C67 C66 C15 122.9(16) . . ?
C66 C67 C17 124.3(17) . . ?
C66 C67 C30 122.8(17) . . ?
C17 C67 C30 105.3(11) . . ?
C44 C68 C71 115.8(18) . . ?
C44 C68 C54 116.6(19) . . ?
C71 C68 C54 120.9(17) . . ?
C70 C69 C58 104.7(10) . . ?
C70 C69 C19 122.1(13) . . ?
C58 C69 C19 124.0(15) . . ?
C76 C70 C71 119.0(16) . . ?
C76 C70 C69 121.7(14) . . ?
C71 C70 C69 110.9(11) . . ?
C68 C71 C70 123.0(19) . . ?
C68 C71 C57 118.6(16) . . ?
C70 C71 C57 106.4(11) . . ?
C78 C72 C62 120.5(15) . . ?
C78 C72 C82 106.3(11) . . ?
C62 C72 C82 125.0(14) . . ?
C81 C73 C64 123.8(17) . . ?
C81 C73 C74 108.0(11) . . ?
C64 C73 C74 119.4(14) . . ?
C19 C74 C75 125.1(12) . . ?
C19 C74 C73 113.9(12) . . ?
C75 C74 C73 108.5(10) . . ?
C80 C75 C76 119.5(12) . . ?
C80 C75 C74 106.4(9) . . ?
C76 C75 C74 124.2(13) . . ?
C70 C76 C45 116.3(17) . . ?
C70 C76 C75 114.3(14) . . ?
C45 C76 C75 121.1(14) . . ?
C77 C78 C45 119.4(13) . . ?
C77 C78 C72 123.8(14) . . ?
C45 C78 C72 109.0(10) . . ?
C77 C79 C61 117.9(15) . . ?
C77 C79 C46 126.4(16) . . ?
C61 C79 C46 107.7(12) . . ?
C75 C80 C81 110.3(10) . . ?
C75 C80 C77 118.1(11) . . ?
C81 C80 C77 120.1(13) . . ?
C8 C81 C73 128(2) . . ?
C8 C81 C80 116(2) . . ?
C73 C81 C80 106.6(11) . . ?
C47 C82 C44 125.2(18) . . ?
C47 C82 C72 117.3(15) . . ?
C44 C82 C72 108.9(11) . . ?
C102 C101 C106 120.0 . . ?
C102 C101 H101 120.0 . . ?
C106 C101 H101 120.0 . . ?
C103 C102 C101 120.0 . . ?
C103 C102 H102 120.0 . . ?
C101 C102 H102 120.0 . . ?
C102 C103 C104 120.0 . . ?
C102 C103 H103 120.0 . . ?
C104 C103 H103 120.0 . . ?
C103 C104 C105 120.0 . . ?
C103 C104 H104 120.0 . . ?
C105 C104 H104 120.0 . . ?
C106 C105 C104 120.0 . . ?
C106 C105 H105 120.0 . . ?
C104 C105 H105 120.0 . . ?
C105 C106 C101 120.0 . . ?
C105 C106 H106 120.0 . . ?
C101 C106 H106 120.0 . . ?
C108 C107 C112 120.0 . . ?
C108 C107 H107 120.0 . . ?
C112 C107 H107 120.0 . . ?
C109 C108 C107 120.0 . . ?
C109 C108 H108 120.0 . . ?
C107 C108 H108 120.0 . . ?
C108 C109 C110 120.0 . . ?
C108 C109 H109 120.0 . . ?
C110 C109 H109 120.0 . . ?
C109 C110 C111 120.0 . . ?
C109 C110 H110 120.0 . . ?
C111 C110 H110 120.0 . . ?
C112 C111 C110 120.0 . . ?
C112 C111 H111 120.0 . . ?
C110 C111 H111 120.0 . . ?
C111 C112 C107 120.0 . . ?
C111 C112 H112 120.0 . . ?
C107 C112 H112 120.0 . . ?
S1 C113 S2 180.0 . . ?

_refine_diff_density_max         2.045
_refine_diff_density_min         -1.173
_refine_diff_density_rms         0.119

####################################################################### 
# 
# 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_Y2C2C86-15
_database_code_depnum_ccdc_archive 'CCDC 1528591'
_audit_update_record             
;
2017-01-19 deposited with the CCDC.	2019-03-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C136 H56 N4 Ni Y2'
_chemical_formula_weight         1982.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0027 0.0014 '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 0.0053 0.0028 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3436 0.9622 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -1.1694 3.0922 '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                   23.4570(19)
_cell_length_b                   14.3210(12)
_cell_length_c                   18.5441(18)
_cell_angle_alpha                90
_cell_angle_beta                 93.976(2)
_cell_angle_gamma                90
_cell_volume                     6214.5(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9993
_cell_measurement_theta_min      2.4635
_cell_measurement_theta_max      24.6845

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.119
_exptl_crystal_F_000             4024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    1.826
_shelx_estimated_absorpt_T_min   0.638
_shelx_estimated_absorpt_T_max   0.784
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.4233
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6525
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline B17B'
_diffrn_measurement_device_type  'CCD MX300-HE'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            51562
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_av_R_equivalents  0.0914
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.011
_diffrn_reflns_theta_max         25.080
_diffrn_reflns_theta_full        23.048
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             7383
_reflns_number_gt                5795
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.1976P)²+35.7548P] 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         7383
_refine_ls_number_parameters     1070
_refine_ls_number_restraints     875
_refine_ls_R_factor_all          0.1242
_refine_ls_R_factor_gt           0.1054
_refine_ls_wR_factor_ref         0.3224
_refine_ls_wR_factor_gt          0.3037
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_restrained_S_all      1.149
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.004

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
C28 C 0.4635(4) 0.5000 0.8790(10) 0.079(4) Uani 1 2 d S T P . .
C29 C 0.4610(4) 0.5000 0.8068(10) 0.075(4) Uani 1 2 d DS T P A .
C43 C 0.2367(10) 0.5000 0.9910(8) 0.117(8) Uani 1 2 d S T P . .
C42 C 0.1877(6) 0.5000 0.9504(7) 0.086(5) Uani 1 2 d DS T P A .
C1 C 0.3767(12) 0.7572(19) 0.821(2) 0.093(6) Uani 0.5 1 d . U P A -1
C2 C 0.4065(11) 0.721(3) 0.773(3) 0.100(6) Uani 0.5 1 d . U P A -1
C3 C 0.4379(7) 0.6546(17) 0.802(2) 0.085(5) Uani 0.5 1 d . U P A -1
C4 C 0.4321(9) 0.6537(17) 0.8737(18) 0.081(5) Uani 0.5 1 d . U P A -1
C5 C 0.3892(16) 0.719(3) 0.887(2) 0.090(6) Uani 0.5 1 d . U P A -1
C6 C 0.3826(12) 0.704(2) 0.705(2) 0.098(6) Uani 0.5 1 d . U P A -1
C7 C 0.3279(11) 0.7361(19) 0.6942(18) 0.088(5) Uani 0.5 1 d . U P A -1
C8 C 0.2974(9) 0.7710(19) 0.7338(15) 0.084(6) Uani 0.5 1 d D U P A -1
C9 C 0.3241(11) 0.782(3) 0.8003(17) 0.093(6) Uani 0.5 1 d D U P A -1
C10 C 0.2849(9) 0.7629(12) 0.8496(13) 0.084(5) Uani 0.5 1 d D U P A -1
C11 C 0.2964(12) 0.7093(18) 0.9122(16) 0.090(5) Uani 0.5 1 d . U P A -1
C12 C 0.3501(12) 0.6937(16) 0.9373(16) 0.094(5) Uani 0.5 1 d . U P A -1
C13 C 0.4464(15) 0.5753(16) 0.9121(18) 0.062(6) Uani 0.5 1 d D U P A -1
C14 C 0.4439(10) 0.5662(19) 0.7654(17) 0.084(6) Uani 0.5 1 d . U P A -1
C15 C 0.4156(9) 0.555(2) 0.7059(15) 0.087(5) Uani 0.5 1 d . U P A -1
C16 C 0.3833(9) 0.621(2) 0.6752(15) 0.100(5) Uani 0.5 1 d . U P A -1
C17 C 0.3347(10) 0.596(2) 0.6307(14) 0.079(5) Uani 0.5 1 d . U P A -1
C18 C 0.2999(9) 0.6720(17) 0.6421(11) 0.071(5) Uani 0.5 1 d . U P A -1
C19 C 0.2482(10) 0.6609(19) 0.6417(11) 0.064(4) Uani 0.5 1 d . U P A -1
C20 C 0.2224(11) 0.708(2) 0.6979(15) 0.067(5) Uani 0.5 1 d . U P A -1
C21 C 0.2436(7) 0.7500(13) 0.7423(11) 0.065(4) Uani 0.5 1 d D U P A -1
C22 C 0.2336(9) 0.7455(15) 0.8152(11) 0.071(5) Uani 0.5 1 d D U P A -1
C23 C 0.2582(13) 0.665(2) 0.9346(11) 0.088(5) Uani 0.5 1 d . U P A -1
C24 C 0.2733(13) 0.588(2) 0.9876(10) 0.093(6) Uani 0.5 1 d . U P A -1
C25 C 0.3249(17) 0.570(3) 1.0044(15) 0.101(7) Uani 0.5 1 d . U P A -1
C26 C 0.3636(15) 0.624(2) 0.9827(15) 0.090(5) Uani 0.5 1 d . U P A -1
C27 C 0.4160(19) 0.568(2) 0.9707(19) 0.089(6) Uani 0.5 1 d . U P A -1
C30 C 0.3985(7) 0.4723(18) 0.6848(9) 0.076(5) Uani 0.5 1 d . U P A -1
C31 C 0.3518(12) 0.451(2) 0.6379(11) 0.089(5) Uani 0.5 1 d . U P A -1
C32 C 0.3184(10) 0.522(2) 0.6129(9) 0.085(6) Uani 0.5 1 d . U P A -1
C33 C 0.2639(9) 0.5254(13) 0.6006(8) 0.079(6) Uani 0.5 1 d D U P A -1
C34 C 0.2288(11) 0.5907(16) 0.6186(12) 0.078(5) Uani 0.5 1 d D U P A -1
C35 C 0.1832(11) 0.550(3) 0.644(2) 0.091(6) Uani 0.5 1 d D U P A -1
C36 C 0.1536(10) 0.577(2) 0.6897(19) 0.082(5) Uani 0.5 1 d . U P A -1
C37 C 0.1734(7) 0.6616(15) 0.7186(10) 0.065(4) Uani 0.5 1 d . U P A -1
C38 C 0.1613(8) 0.6587(18) 0.7822(11) 0.057(4) Uani 0.5 1 d . U P A -1
C39 C 0.1973(10) 0.6942(16) 0.8340(12) 0.065(4) Uani 0.5 1 d . U P A -1
C40 C 0.2040(11) 0.6475(19) 0.9007(12) 0.078(5) Uani 0.5 1 d . U P A -1
C41 C 0.1684(17) 0.5698(17) 0.9077(16) 0.091(7) Uani 0.5 1 d D U P A -1
C44 C 0.2595(9) 0.425(2) 1.0066(12) 0.088(6) Uani 0.5 1 d D U P A -1
C45 C 0.3137(10) 0.4149(18) 1.0191(11) 0.084(6) Uani 0.5 1 d D U P A -1
C46 C 0.3491(9) 0.483(2) 1.0207(7) 0.079(6) Uani 0.5 1 d . U P A -1
C47 C 0.4032(10) 0.4822(19) 0.9908(9) 0.087(6) Uani 0.5 1 d . U P A -1
C48 C 0.4151(15) 0.407(2) 0.9601(18) 0.079(6) Uani 0.5 1 d D U P A -1
C49 C 0.4494(15) 0.405(3) 0.896(2) 0.074(7) Uani 0.5 1 d . U P A -1
C50 C 0.4456(8) 0.3605(17) 0.8465(12) 0.052(4) Uani 0.5 1 d D U P A -1
C51 C 0.4468(9) 0.4086(13) 0.7847(9) 0.066(6) Uani 0.5 1 d D U P A -1
C52 C 0.4130(9) 0.386(2) 0.7258(11) 0.084(5) Uani 0.5 1 d D U P A -1
C53 C 0.3856(13) 0.311(2) 0.7315(12) 0.081(5) Uani 0.5 1 d D U P A -1
C54 C 0.3446(11) 0.3092(18) 0.6850(12) 0.092(5) Uani 0.5 1 d D U P A -1
C55 C 0.3275(13) 0.373(2) 0.6382(14) 0.094(6) Uani 0.5 1 d D U P A -1
C56 C 0.2721(11) 0.3703(18) 0.6234(11) 0.080(5) Uani 0.5 1 d D U P A -1
C57 C 0.2389(10) 0.4454(18) 0.6080(14) 0.089(6) Uani 0.5 1 d D U P A -1
C58 C 0.1889(12) 0.461(2) 0.6315(19) 0.088(6) Uani 0.5 1 d D U P A -1
C59 C 0.1321(9) 0.5230(18) 0.7373(17) 0.080(6) Uani 0.5 1 d . U P A -1
C60 C 0.1326(9) 0.573(2) 0.7889(18) 0.076(5) Uani 0.5 1 d . U P A -1
C61 C 0.1389(11) 0.5337(18) 0.8527(13) 0.088(6) Uani 0.5 1 d D U P A -1
C62 C 0.1419(10) 0.439(2) 0.736(2) 0.084(6) Uani 0.5 1 d . U P A -1
C63 C 0.1740(11) 0.404(2) 0.6724(18) 0.084(6) Uani 0.5 1 d . U P A -1
C64 C 0.2066(11) 0.310(2) 0.6961(18) 0.086(7) Uani 0.5 1 d D U P A -1
C65 C 0.2539(12) 0.3052(18) 0.6657(16) 0.093(6) Uani 0.5 1 d D U P A -1
C66 C 0.2969(12) 0.2629(17) 0.6988(14) 0.091(6) Uani 0.5 1 d D U P A -1
C67 C 0.2946(11) 0.2151(16) 0.7704(15) 0.086(5) Uani 0.5 1 d D U P A -1
C68 C 0.3376(15) 0.213(3) 0.8137(17) 0.082(5) Uani 0.5 1 d . U P A -1
C69 C 0.3858(13) 0.2620(17) 0.7864(13) 0.066(5) Uani 0.5 1 d . U P A -1
C70 C 0.4112(7) 0.2901(11) 0.8486(9) 0.049(3) Uani 0.5 1 d D U P A -1
C71 C 0.3826(14) 0.280(2) 0.9084(13) 0.061(5) Uani 0.5 1 d . U P A -1
C72 C 0.3843(8) 0.3355(16) 0.9599(10) 0.062(4) Uani 0.5 1 d . U P A -1
C73 C 0.3323(10) 0.3378(16) 0.9905(9) 0.079(4) Uani 0.5 1 d D U P A -1
C74 C 0.3382(9) 0.2269(13) 0.8828(14) 0.082(4) Uani 0.5 1 d . U P A -1
C75 C 0.2466(14) 0.2297(19) 0.794(2) 0.098(6) Uani 0.5 1 d . U P A -1
C76 C 0.2025(10) 0.2812(17) 0.755(2) 0.097(5) Uani 0.5 1 d . U P A -1
C77 C 0.1450(12) 0.397(3) 0.798(2) 0.097(7) Uani 0.5 1 d D U P A -1
C78 C 0.1419(10) 0.4385(19) 0.8574(14) 0.089(6) Uani 0.5 1 d D U P A -1
C79 C 0.1711(19) 0.4182(16) 0.9195(17) 0.113(8) Uani 0.5 1 d D U P A -1
C80 C 0.1955(13) 0.343(3) 0.926(2) 0.109(7) Uani 0.5 1 d D U P A -1
C81 C 0.2420(9) 0.3452(18) 0.9748(15) 0.104(6) Uani 0.5 1 d D U P A -1
C82 C 0.2880(9) 0.2954(16) 0.9637(14) 0.093(5) Uani 0.5 1 d D U P A -1
C83 C 0.2880(12) 0.2390(18) 0.9074(17) 0.093(5) Uani 0.5 1 d D U P A -1
C84 C 0.2419(11) 0.2360(16) 0.866(2) 0.100(5) Uani 0.5 1 d D U P A -1
C85 C 0.1981(11) 0.2890(19) 0.871(2) 0.110(6) Uani 0.5 1 d D U P A -1
C86 C 0.1751(12) 0.310(2) 0.811(2) 0.103(6) Uani 0.5 1 d D U P A -1
C89 C 0.5886(2) 0.3550(5) 0.8434(3) 0.0430(15) Uani 1 1 d . . . B 4
H89A H 0.5704 0.4052 0.8693 0.052 Uiso 1 1 calc R U . B 4
H89B H 0.6121 0.3168 0.8778 0.052 Uiso 1 1 calc R U . B 4
H89C H 0.5592 0.3158 0.8185 0.052 Uiso 1 1 calc R U . B 4
N3 N 0.5348(2) 0.5000 0.6564(3) 0.0220(11) Uani 1 2 d S T P B 4
N2 N 0.47880(14) 0.3726(3) 0.5834(2) 0.0213(8) Uani 1 1 d . . . B 4
N1 N 0.4226(2) 0.5000 0.5116(3) 0.0188(10) Uani 1 2 d S T P B 4
Ni Ni 0.47990(3) 0.5000 0.58262(4) 0.0182(3) Uani 1 2 d S T P B 4
C90 C 0.6240(2) 0.3944(5) 0.7915(3) 0.0386(13) Uani 1 1 d . . . B 4
H90A H 0.6562 0.4280 0.8174 0.046 Uiso 1 1 calc R U . B 4
H90B H 0.6403 0.3433 0.7635 0.046 Uiso 1 1 calc R U . B 4
C91 C 0.59510(19) 0.4556(4) 0.7440(3) 0.0296(11) Uani 1 1 d . . . B 4
C92 C 0.55776(19) 0.4286(4) 0.6893(3) 0.0271(10) Uani 1 1 d . . . B 4
C93 C 0.54672(19) 0.3446(4) 0.6737(3) 0.0265(10) Uani 1 1 d . . . B 4
H93 H 0.5679 0.2979 0.7003 0.032 Uiso 1 1 calc R U . B 4
C94 C 0.50945(19) 0.3174(4) 0.6253(3) 0.0254(10) Uani 1 1 d . . . B 4
C95 C 0.4959(2) 0.2279(4) 0.6114(3) 0.0290(10) Uani 1 1 d . . . B 4
C96 C 0.5206(2) 0.1521(4) 0.6490(3) 0.0387(13) Uani 1 1 d . . . B 4
H96A H 0.5622 0.1629 0.6569 0.046 Uiso 1 1 calc R U . B 4
H96B H 0.5148 0.0952 0.6191 0.046 Uiso 1 1 calc R U . B 4
C97 C 0.4977(3) 0.1365(5) 0.7170(4) 0.0506(17) Uani 1 1 d . . . B 4
H97A H 0.5031 0.1925 0.7471 0.076 Uiso 1 1 calc R U . B 4
H97B H 0.5175 0.0837 0.7413 0.076 Uiso 1 1 calc R U . B 4
H97C H 0.4568 0.1225 0.7096 0.076 Uiso 1 1 calc R U . B 4
C98 C 0.3733(2) 0.1360(4) 0.5540(4) 0.0428(14) Uani 1 1 d . . . B 4
H98A H 0.3501 0.1928 0.5480 0.064 Uiso 1 1 calc R U . B 4
H98B H 0.3778 0.1192 0.6053 0.064 Uiso 1 1 calc R U . B 4
H98C H 0.3543 0.0848 0.5266 0.064 Uiso 1 1 calc R U . B 4
C99 C 0.4289(2) 0.1523(4) 0.5274(3) 0.0345(12) Uani 1 1 d . . . B 4
H99A H 0.4525 0.0954 0.5351 0.041 Uiso 1 1 calc R U . B 4
H99B H 0.4243 0.1642 0.4747 0.041 Uiso 1 1 calc R U . B 4
C100 C 0.45732(19) 0.2276(3) 0.5611(3) 0.0267(10) Uani 1 1 d . . . B 4
C101 C 0.44678(18) 0.3177(3) 0.5442(3) 0.0232(9) Uani 1 1 d . . . B 4
C102 C 0.40925(18) 0.3447(3) 0.4956(3) 0.0237(9) Uani 1 1 d . . . B 4
H102 H 0.3887 0.2979 0.4683 0.028 Uiso 1 1 calc R U . B 4
C103 C 0.39728(18) 0.4289(3) 0.4810(2) 0.0214(9) Uani 1 1 d . . . B 4
C104 C 0.35558(17) 0.4564(4) 0.4327(2) 0.0225(9) Uani 1 1 d . . . B 4
C105 C 0.31746(19) 0.3952(4) 0.3951(3) 0.0277(10) Uani 1 1 d . . . B 4
H105 H 0.3385 0.3390 0.3806 0.033 Uiso 1 1 calc R U . B 4
H106 H 0.3012 0.4262 0.3506 0.033 Uiso 1 1 calc R U . B 4
C106 C 0.2722(2) 0.3675(5) 0.4379(3) 0.0380(13) Uani 1 1 d . . . B 4
H10A H 0.2552 0.4229 0.4588 0.046 Uiso 1 1 calc R U . B 4
H10B H 0.2873 0.3262 0.4769 0.046 Uiso 1 1 calc R U . B 4
H10C H 0.2429 0.3343 0.4076 0.046 Uiso 1 1 calc R U . B 4
C107 C 0.3591(4) 1.0000 0.7340(5) 0.044(2) Uani 1 2 d S T P C 4
H107 H 0.3870 1.0000 0.6992 0.053 Uiso 1 2 calc R U P C 4
C108 C 0.3067(4) 1.0000 0.7124(5) 0.0380(18) Uani 1 2 d S T P C 4
H108 H 0.2951 1.0000 0.6623 0.046 Uiso 1 2 calc R U P C 4
C109 C 0.2689(4) 1.0000 0.7618(5) 0.0426(19) Uani 1 2 d S T P C 4
H109 H 0.2294 1.0000 0.7463 0.051 Uiso 1 2 calc R U P C 4
C110 C 0.2828(4) 1.0000 0.8286(5) 0.044(2) Uani 1 2 d S T P C 4
H110 H 0.2550 1.0000 0.8635 0.053 Uiso 1 2 calc R U P C 4
C111 C 0.3394(5) 1.0000 0.8478(5) 0.057(3) Uani 1 2 d S T P C 4
H111 H 0.3521 1.0000 0.8975 0.068 Uiso 1 2 calc R U P C 4
C112 C 0.3757(5) 1.0000 0.8006(6) 0.052(2) Uani 1 2 d S T P C 4
H112 H 0.4153 1.0000 0.8149 0.063 Uiso 1 2 calc R U P C 4
C113 C 0.4736(4) 0.7749(8) 1.0245(9) 0.108(9) Uani 0.5 1 d G U P D -5
H113 H 0.4472 0.7248 1.0260 0.130 Uiso 0.5 1 calc R U P D -5
C114 C 0.5090(6) 0.7818(10) 0.9677(7) 0.087(7) Uani 0.5 1 d G U P D -5
H114 H 0.5068 0.7364 0.9303 0.105 Uiso 0.5 1 calc R U P D -5
C115 C 0.5476(6) 0.8552(13) 0.9655(8) 0.092(7) Uani 0.5 1 d G U P D -5
H115 H 0.5718 0.8599 0.9267 0.110 Uiso 0.5 1 calc R U P D -5
C116 C 0.5509(6) 0.9217(10) 1.0203(10) 0.124(9) Uani 0.5 1 d G U P D -5
H116 H 0.5773 0.9719 1.0188 0.148 Uiso 0.5 1 calc R U P D -5
C117 C 0.5155(7) 0.9148(9) 1.0771(8) 0.131(10) Uani 0.5 1 d G U P D -5
H117 H 0.5177 0.9602 1.1146 0.157 Uiso 0.5 1 calc R U P D -5
C118 C 0.4768(5) 0.8414(10) 1.0793(7) 0.053(4) Uani 0.5 1 d G U P D -5
H118 H 0.4526 0.8367 1.1181 0.063 Uiso 0.5 1 calc R U P D -5
Y1 Y 0.29807(11) 0.64450(12) 0.83193(13) 0.0912(7) Uani 0.5 1 d . . P E 3
Y2 Y 0.33071(7) 0.37015(11) 0.78200(11) 0.0678(5) Uani 0.5 1 d . . P E 3
C87 C 0.3023(5) 0.5000 0.8403(6) 0.050(2) Uani 1 2 d S T P E 3
C88 C 0.2732(4) 0.5000 0.7933(6) 0.055(2) Uani 1 2 d S T P E 3


_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
C28 C13 1.32(4) . ?
C28 C29 1.34(2) . ?
C28 C49 1.44(4) . ?
C29 C14 1.27(2) . ?
C29 C51 1.40(2) . ?
C43 C44 1.22(3) . ?
C43 C42 1.33(3) . ?
C43 C24 1.52(4) . ?
C42 C41 1.335(19) . ?
C42 C79 1.35(2) . ?
C1 C2 1.27(5) . ?
C1 C9 1.31(4) . ?
C1 C5 1.36(5) . ?
C2 C3 1.29(4) . ?
C2 C6 1.37(6) . ?
C3 C4 1.35(4) . ?
C3 C14 1.45(4) . ?
C4 C13 1.36(3) . ?
C4 C5 1.41(5) . ?
C5 C12 1.40(5) . ?
C6 C16 1.31(5) . ?
C6 C7 1.36(3) . ?
C7 C8 1.17(4) . ?
C7 C18 1.46(4) . ?
C7 C9 2.08(5) . ?
C8 C21 1.32(2) . ?
C8 C9 1.35(2) . ?
C9 C10 1.37(2) . ?
C10 C22 1.35(2) . ?
C10 C11 1.40(4) . ?
C11 C23 1.19(4) . ?
C11 C12 1.33(3) . ?
C12 C26 1.33(4) . ?
C13 C27 1.34(5) . ?
C14 C15 1.26(4) . ?
C15 C16 1.31(3) . ?
C15 C30 1.31(4) . ?
C16 C17 1.40(4) . ?
C17 C32 1.18(4) . ?
C17 C18 1.38(3) . ?
C17 C33 1.99(4) . ?
C18 C19 1.22(3) . ?
C19 C34 1.17(4) . ?
C19 C20 1.41(3) . ?
C20 C21 1.11(3) . ?
C20 C37 1.40(3) . ?
C21 C22 1.39(2) . ?
C22 C39 1.19(3) . ?
C23 C40 1.40(4) . ?
C23 C24 1.51(4) . ?
C24 C25 1.25(4) . ?
C25 C26 1.28(5) . ?
C25 C46 1.39(5) . ?
C26 C27 1.50(5) . ?
C27 C47 1.33(5) . ?
C30 C31 1.38(4) . ?
C30 C52 1.48(3) . ?
C31 C55 1.26(4) . ?
C31 C32 1.34(3) . ?
C32 C33 1.28(3) . ?
C33 C57 1.30(2) . ?
C33 C34 1.30(2) . ?
C34 C35 1.33(2) . ?
C35 C36 1.20(4) . ?
C35 C58 1.30(2) . ?
C36 C59 1.30(5) . ?
C36 C37 1.39(4) . ?
C36 C60 1.94(4) . ?
C37 C38 1.23(2) . ?
C38 C39 1.33(3) . ?
C38 C60 1.40(4) . ?
C39 C40 1.41(3) . ?
C40 C41 1.40(5) . ?
C41 C61 1.30(2) . ?
C44 C45 1.29(2) . ?
C44 C81 1.34(2) . ?
C45 C46 1.28(4) . ?
C45 C73 1.31(2) . ?
C46 C47 1.42(3) . ?
C47 C48 1.26(3) . ?
C48 C72 1.25(4) . ?
C48 C49 1.48(5) . ?
C49 C50 1.12(4) . ?
C50 C70 1.29(3) . ?
C50 C51 1.338(19) . ?
C51 C52 1.34(2) . ?
C52 C53 1.27(4) . ?
C52 C54 2.05(4) . ?
C53 C69 1.23(4) . ?
C53 C54 1.25(4) . ?
C54 C55 1.30(2) . ?
C54 C66 1.34(2) . ?
C55 C56 1.31(2) . ?
C56 C65 1.31(2) . ?
C56 C57 1.35(3) . ?
C57 C58 1.30(2) . ?
C58 C63 1.19(4) . ?
C59 C60 1.20(4) . ?
C59 C62 1.23(4) . ?
C60 C61 1.31(4) . ?
C61 C78 1.37(2) . ?
C62 C77 1.30(5) . ?
C62 C63 1.52(5) . ?
C63 C64 1.60(4) . ?
C64 C76 1.17(4) . ?
C64 C65 1.28(4) . ?
C65 C66 1.29(2) . ?
C66 C67 1.50(4) . ?
C67 C75 1.25(4) . ?
C67 C68 1.25(3) . ?
C68 C74 1.30(4) . ?
C68 C69 1.45(5) . ?
C69 C70 1.32(3) . ?
C70 C71 1.34(3) . ?
C71 C72 1.24(4) . ?
C71 C74 1.35(4) . ?
C72 C73 1.38(3) . ?
C73 C82 1.27(2) . ?
C74 C83 1.30(3) . ?
C75 C84 1.36(5) . ?
C75 C76 1.42(4) . ?
C76 C86 1.33(4) . ?
C77 C78 1.26(5) . ?
C77 C86 1.44(4) . ?
C78 C79 1.33(2) . ?
C79 C80 1.22(5) . ?
C80 C85 1.28(3) . ?
C80 C81 1.37(4) . ?
C81 C82 1.32(2) . ?
C82 C83 1.32(4) . ?
C83 C84 1.28(4) . ?
C84 C85 1.29(3) . ?
C85 C86 1.24(3) . ?
C89 C90 1.429(8) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
N3 C92 1.288(6) 6_565 ?
N3 C92 1.288(6) . ?
N3 Ni 1.813(5) . ?
N2 C101 1.279(6) . ?
N2 C94 1.292(6) . ?
N2 Ni 1.824(4) . ?
N1 C103 1.290(6) . ?
N1 C103 1.290(6) 6_565 ?
N1 Ni 1.816(5) . ?
Ni N2 1.824(4) 6_565 ?
C90 C91 1.387(8) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 C91 1.271(12) 6_565 ?
C91 C92 1.350(7) . ?
C92 C93 1.260(8) . ?
C93 C94 1.270(7) . ?
C93 H93 0.9500 . ?
C94 C95 1.341(8) . ?
C94 C101 2.029(7) . ?
C95 C100 1.254(7) . ?
C95 C96 1.394(7) . ?
C96 C97 1.421(9) . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 C99 1.445(7) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 C100 1.393(7) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 C101 1.347(7) . ?
C101 C102 1.276(7) . ?
C102 C103 1.263(7) . ?
C102 H102 0.9500 . ?
C103 C104 1.338(6) . ?
C103 C103 2.037(10) 6_565 ?
C104 C104 1.249(10) 6_565 ?
C104 C105 1.403(6) . ?
C105 C106 1.426(7) . ?
C105 H105 0.9900 . ?
C105 H106 0.9900 . ?
C106 H10A 0.9800 . ?
C106 H10B 0.9800 . ?
C106 H10C 0.9800 . ?
C107 C108 1.267(12) . ?
C107 C112 1.268(14) . ?
C107 H107 0.9500 . ?
C108 C109 1.319(13) . ?
C108 H108 0.9500 . ?
C109 C110 1.259(13) . ?
C109 H109 0.9500 . ?
C110 C111 1.351(15) . ?
C110 H110 0.9500 . ?
C111 C112 1.262(16) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C114 1.3900 . ?
C113 C118 1.3900 . ?
C113 H113 0.9500 . ?
C114 C115 1.3900 . ?
C114 H114 0.9500 . ?
C115 C116 1.3900 . ?
C115 H115 0.9500 . ?
C116 C117 1.3900 . ?
C116 H116 0.9500 . ?
C117 C118 1.3900 . ?
C117 H117 0.9500 . ?
C118 H118 0.9500 . ?
Y1 Y2 1.259(3) 6_565 ?
Y1 C87 2.077(2) . ?
Y1 C88 2.253(5) . ?
Y2 Y1 1.259(3) 6_565 ?
Y2 C87 2.275(6) . ?
Y2 C88 2.316(6) . ?
Y2 Y2 3.719(3) 6_565 ?
C87 C88 1.069(15) . ?
C87 Y1 2.077(2) 6_565 ?
C87 Y2 2.275(6) 6_565 ?
C88 Y1 2.253(5) 6_565 ?
C88 Y2 2.316(6) 6_565 ?

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
C13 C28 C29 118.3(13) . . ?
C13 C28 C49 126(2) . . ?
C29 C28 C49 103.2(16) . . ?
C14 C29 C28 126.7(17) . . ?
C14 C29 C51 118(2) . . ?
C28 C29 C51 106.5(10) . . ?
C44 C43 C42 118.8(17) . . ?
C44 C43 C24 119(2) . . ?
C42 C43 C24 116.4(12) . . ?
C43 C42 C41 125.5(15) . . ?
C43 C42 C79 116.9(17) . . ?
C41 C42 C79 108.8(15) . . ?
C2 C1 C9 117(3) . . ?
C2 C1 C5 111(3) . . ?
C9 C1 C5 121(3) . . ?
C1 C2 C3 110(4) . . ?
C1 C2 C6 120(3) . . ?
C3 C2 C6 116(4) . . ?
C2 C3 C4 109(3) . . ?
C2 C3 C14 121(4) . . ?
C4 C3 C14 118(2) . . ?
C13 C4 C3 119(3) . . ?
C13 C4 C5 127(3) . . ?
C3 C4 C5 107(3) . . ?
C1 C5 C4 103(4) . . ?
C1 C5 C12 126(3) . . ?
C4 C5 C12 117(3) . . ?
C16 C6 C7 106(3) . . ?
C16 C6 C2 122(3) . . ?
C7 C6 C2 113(3) . . ?
C8 C7 C6 131(4) . . ?
C8 C7 C18 115(3) . . ?
C6 C7 C18 105(3) . . ?
C8 C7 C9 37.4(18) . . ?
C6 C7 C9 94(3) . . ?
C18 C7 C9 141.0(19) . . ?
C7 C8 C21 128(3) . . ?
C7 C8 C9 111(3) . . ?
C21 C8 C9 107.6(18) . . ?
C1 C9 C8 127(3) . . ?
C1 C9 C10 115(3) . . ?
C8 C9 C10 107.4(17) . . ?
C1 C9 C7 95(3) . . ?
C8 C9 C7 31.8(13) . . ?
C10 C9 C7 130(2) . . ?
C22 C10 C9 109.9(17) . . ?
C22 C10 C11 114(2) . . ?
C9 C10 C11 124(2) . . ?
C23 C11 C12 120(3) . . ?
C23 C11 C10 118(2) . . ?
C12 C11 C10 120(3) . . ?
C26 C12 C11 122(3) . . ?
C26 C12 C5 118(3) . . ?
C11 C12 C5 112(3) . . ?
C28 C13 C4 120(3) . . ?
C28 C13 C27 121(2) . . ?
C4 C13 C27 111(3) . . ?
C15 C14 C29 125(3) . . ?
C15 C14 C3 117(2) . . ?
C29 C14 C3 114(3) . . ?
C14 C15 C16 123(4) . . ?
C14 C15 C30 120(2) . . ?
C16 C15 C30 111(3) . . ?
C15 C16 C6 119(4) . . ?
C15 C16 C17 120(4) . . ?
C6 C16 C17 116(2) . . ?
C32 C17 C16 129(2) . . ?
C32 C17 C18 125(3) . . ?
C16 C17 C18 100(3) . . ?
C32 C17 C33 37.6(15) . . ?
C16 C17 C33 156.7(18) . . ?
C18 C17 C33 87.2(18) . . ?
C19 C18 C17 120(3) . . ?
C19 C18 C7 119(2) . . ?
C17 C18 C7 110(2) . . ?
C34 C19 C18 118(3) . . ?
C34 C19 C20 120(3) . . ?
C18 C19 C20 114(3) . . ?
C21 C20 C37 113(2) . . ?
C21 C20 C19 128(3) . . ?
C37 C20 C19 112(3) . . ?
C20 C21 C8 115(2) . . ?
C20 C21 C22 127(2) . . ?
C8 C21 C22 110.8(17) . . ?
C39 C22 C10 127(2) . . ?
C39 C22 C21 119(2) . . ?
C10 C22 C21 104.3(16) . . ?
C11 C23 C40 128(2) . . ?
C11 C23 C24 118(3) . . ?
C40 C23 C24 109(3) . . ?
C25 C24 C23 119(4) . . ?
C25 C24 C43 111(3) . . ?
C23 C24 C43 122(2) . . ?
C26 C25 C24 119(4) . . ?
C26 C25 C46 109(3) . . ?
C24 C25 C46 127(4) . . ?
C25 C26 C12 121(3) . . ?
C25 C26 C27 109(3) . . ?
C12 C26 C27 118(4) . . ?
C47 C27 C13 116(3) . . ?
C47 C27 C26 105(4) . . ?
C13 C27 C26 125(3) . . ?
C15 C30 C31 126.9(17) . . ?
C15 C30 C52 124(2) . . ?
C31 C30 C52 106(3) . . ?
C55 C31 C32 115(3) . . ?
C55 C31 C30 122(2) . . ?
C32 C31 C30 118(3) . . ?
C17 C32 C33 108(2) . . ?
C17 C32 C31 115(3) . . ?
C33 C32 C31 130(3) . . ?
C32 C33 C57 113(2) . . ?
C32 C33 C34 128(2) . . ?
C57 C33 C34 107.9(17) . . ?
C32 C33 C17 34.0(14) . . ?
C57 C33 C17 142.6(18) . . ?
C34 C33 C17 95.2(17) . . ?
C19 C34 C33 118(2) . . ?
C19 C34 C35 123(3) . . ?
C33 C34 C35 108.4(19) . . ?
C36 C35 C58 121(4) . . ?
C36 C35 C34 129(3) . . ?
C58 C35 C34 106(2) . . ?
C35 C36 C59 124(3) . . ?
C35 C36 C37 111(3) . . ?
C59 C36 C37 113(3) . . ?
C35 C36 C60 150(3) . . ?
C59 C36 C60 37.2(18) . . ?
C37 C36 C60 76.0(19) . . ?
C38 C37 C36 104(2) . . ?
C38 C37 C20 122(2) . . ?
C36 C37 C20 124(2) . . ?
C37 C38 C39 120(2) . . ?
C37 C38 C60 105(2) . . ?
C39 C38 C60 123(2) . . ?
C22 C39 C38 117(2) . . ?
C22 C39 C40 121(2) . . ?
C38 C39 C40 119(2) . . ?
C23 C40 C41 129(2) . . ?
C23 C40 C39 111(3) . . ?
C41 C40 C39 115(2) . . ?
C61 C41 C42 108.0(18) . . ?
C61 C41 C40 122(2) . . ?
C42 C41 C40 118(2) . . ?
C43 C44 C45 124(3) . . ?
C43 C44 C81 122(2) . . ?
C45 C44 C81 104.3(18) . . ?
C46 C45 C44 123(2) . . ?
C46 C45 C73 115(2) . . ?
C44 C45 C73 112.2(19) . . ?
C45 C46 C25 115(2) . . ?
C45 C46 C47 125(2) . . ?
C25 C46 C47 107(3) . . ?
C48 C47 C27 127(3) . . ?
C48 C47 C46 115(3) . . ?
C27 C47 C46 109(3) . . ?
C72 C48 C47 124(3) . . ?
C72 C48 C49 109(2) . . ?
C47 C48 C49 122(3) . . ?
C50 C49 C28 111(3) . . ?
C50 C49 C48 131(4) . . ?
C28 C49 C48 108(3) . . ?
C49 C50 C70 116(3) . . ?
C49 C50 C51 114(3) . . ?
C70 C50 C51 119(2) . . ?
C50 C51 C52 122(2) . . ?
C50 C51 C29 104(2) . . ?
C52 C51 C29 125.1(17) . . ?
C53 C52 C51 114(2) . . ?
C53 C52 C30 131(3) . . ?
C51 C52 C30 109(3) . . ?
C53 C52 C54 35.2(16) . . ?
C51 C52 C54 146.4(19) . . ?
C30 C52 C54 96.4(17) . . ?
C69 C53 C52 125(3) . . ?
C69 C53 C54 121(3) . . ?
C52 C53 C54 109(3) . . ?
C53 C54 C55 130(3) . . ?
C53 C54 C66 119(2) . . ?
C55 C54 C66 104.6(19) . . ?
C53 C54 C52 35.7(17) . . ?
C55 C54 C52 94(2) . . ?
C66 C54 C52 147.0(18) . . ?
C31 C55 C54 121(3) . . ?
C31 C55 C56 118(3) . . ?
C54 C55 C56 112(2) . . ?
C65 C56 C55 104.8(18) . . ?
C65 C56 C57 119(2) . . ?
C55 C56 C57 125(3) . . ?
C33 C57 C58 107.7(19) . . ?
C33 C57 C56 118(2) . . ?
C58 C57 C56 126(3) . . ?
C63 C58 C57 114(3) . . ?
C63 C58 C35 122(4) . . ?
C57 C58 C35 110(2) . . ?
C60 C59 C62 128(4) . . ?
C60 C59 C36 102(3) . . ?
C62 C59 C36 119(4) . . ?
C59 C60 C61 117(3) . . ?
C59 C60 C38 116(3) . . ?
C61 C60 C38 116(2) . . ?
C59 C60 C36 41(2) . . ?
C61 C60 C36 148(3) . . ?
C38 C60 C36 74.8(18) . . ?
C60 C61 C41 124(2) . . ?
C60 C61 C78 119(3) . . ?
C41 C61 C78 109(2) . . ?
C59 C62 C77 115(5) . . ?
C59 C62 C63 116(4) . . ?
C77 C62 C63 122(3) . . ?
C58 C63 C62 117(3) . . ?
C58 C63 C64 127(3) . . ?
C62 C63 C64 108(3) . . ?
C76 C64 C65 121(3) . . ?
C76 C64 C63 119(3) . . ?
C65 C64 C63 110(3) . . ?
C64 C65 C66 119(3) . . ?
C64 C65 C56 124(3) . . ?
C66 C65 C56 110(2) . . ?
C65 C66 C54 108.0(19) . . ?
C65 C66 C67 124(3) . . ?
C54 C66 C67 119(2) . . ?
C75 C67 C68 119(3) . . ?
C75 C67 C66 109(3) . . ?
C68 C67 C66 120(3) . . ?
C67 C68 C74 126(3) . . ?
C67 C68 C69 112(3) . . ?
C74 C68 C69 108(3) . . ?
C53 C69 C70 122(3) . . ?
C53 C69 C68 127(3) . . ?
C70 C69 C68 99(2) . . ?
C50 C70 C69 117(2) . . ?
C50 C70 C71 117(2) . . ?
C69 C70 C71 118(2) . . ?
C72 C71 C70 125(3) . . ?
C72 C71 C74 128(3) . . ?
C70 C71 C74 101(2) . . ?
C71 C72 C48 121(2) . . ?
C71 C72 C73 110(2) . . ?
C48 C72 C73 120(3) . . ?
C82 C73 C45 105.9(17) . . ?
C82 C73 C72 123(2) . . ?
C45 C73 C72 121(2) . . ?
C68 C74 C83 115(3) . . ?
C68 C74 C71 113(3) . . ?
C83 C74 C71 120(3) . . ?
C67 C75 C84 119(3) . . ?
C67 C75 C76 123(4) . . ?
C84 C75 C76 111(3) . . ?
C64 C76 C86 134(4) . . ?
C64 C76 C75 123(4) . . ?
C86 C76 C75 98(4) . . ?
C78 C77 C62 124(4) . . ?
C78 C77 C86 109(3) . . ?
C62 C77 C86 123(4) . . ?
C77 C78 C79 127(3) . . ?
C77 C78 C61 115(3) . . ?
C79 C78 C61 107(2) . . ?
C80 C79 C78 119(3) . . ?
C80 C79 C42 127(3) . . ?
C78 C79 C42 107.1(18) . . ?
C79 C80 C85 120(3) . . ?
C79 C80 C81 113(4) . . ?
C85 C80 C81 117(3) . . ?
C82 C81 C44 107.6(17) . . ?
C82 C81 C80 120(3) . . ?
C44 C81 C80 121(3) . . ?
C73 C82 C81 109.6(19) . . ?
C73 C82 C83 124(2) . . ?
C81 C82 C83 120(3) . . ?
C84 C83 C74 122(3) . . ?
C84 C83 C82 116(3) . . ?
C74 C83 C82 114(3) . . ?
C83 C84 C85 126(3) . . ?
C83 C84 C75 118(3) . . ?
C85 C84 C75 103(3) . . ?
C86 C85 C80 121(3) . . ?
C86 C85 C84 113(4) . . ?
C80 C85 C84 119(3) . . ?
C85 C86 C76 115(4) . . ?
C85 C86 C77 123(4) . . ?
C76 C86 C77 113(4) . . ?
C90 C89 H89A 109.5 . . ?
C90 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C90 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C92 N3 C92 105.0(6) 6_565 . ?
C92 N3 Ni 127.5(3) 6_565 . ?
C92 N3 Ni 127.5(3) . . ?
C101 N2 C94 104.2(4) . . ?
C101 N2 Ni 128.2(3) . . ?
C94 N2 Ni 127.6(3) . . ?
C103 N1 C103 104.2(5) . 6_565 ?
C103 N1 Ni 127.9(3) . . ?
C103 N1 Ni 127.9(3) 6_565 . ?
N3 Ni N1 177.5(2) . . ?
N3 Ni N2 90.20(11) . 6_565 ?
N1 Ni N2 89.76(11) . 6_565 ?
N3 Ni N2 90.20(11) . . ?
N1 Ni N2 89.76(11) . . ?
N2 Ni N2 178.1(2) 6_565 . ?
C91 C90 C89 113.4(5) . . ?
C91 C90 H90A 108.9 . . ?
C89 C90 H90A 108.9 . . ?
C91 C90 H90B 108.9 . . ?
C89 C90 H90B 108.9 . . ?
H90A C90 H90B 107.7 . . ?
C91 C91 C92 106.6(3) 6_565 . ?
C91 C91 C90 129.2(4) 6_565 . ?
C92 C91 C90 124.1(6) . . ?
C93 C92 N3 125.2(5) . . ?
C93 C92 C91 123.9(5) . . ?
N3 C92 C91 110.9(5) . . ?
C92 C93 C94 125.1(5) . . ?
C92 C93 H93 117.4 . . ?
C94 C93 H93 117.4 . . ?
C93 C94 N2 124.3(5) . . ?
C93 C94 C95 124.9(5) . . ?
N2 C94 C95 110.8(4) . . ?
C93 C94 C101 162.0(5) . . ?
N2 C94 C101 37.7(3) . . ?
C95 C94 C101 73.1(3) . . ?
C100 C95 C94 107.2(5) . . ?
C100 C95 C96 128.6(5) . . ?
C94 C95 C96 124.2(5) . . ?
C95 C96 C97 113.5(5) . . ?
C95 C96 H96A 108.9 . . ?
C97 C96 H96A 108.9 . . ?
C95 C96 H96B 108.9 . . ?
C97 C96 H96B 108.9 . . ?
H96A C96 H96B 107.7 . . ?
C96 C97 H97A 109.5 . . ?
C96 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C96 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C99 C98 H98A 109.5 . . ?
C99 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C99 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C100 C99 C98 112.8(5) . . ?
C100 C99 H99A 109.0 . . ?
C98 C99 H99A 109.0 . . ?
C100 C99 H99B 109.0 . . ?
C98 C99 H99B 109.0 . . ?
H99A C99 H99B 107.8 . . ?
C95 C100 C101 106.3(5) . . ?
C95 C100 C99 129.4(5) . . ?
C101 C100 C99 124.3(5) . . ?
C102 C101 N2 124.4(5) . . ?
C102 C101 C100 124.1(5) . . ?
N2 C101 C100 111.5(4) . . ?
C102 C101 C94 162.5(4) . . ?
N2 C101 C94 38.1(3) . . ?
C100 C101 C94 73.4(3) . . ?
C103 C102 C101 125.0(5) . . ?
C103 C102 H102 117.5 . . ?
C101 C102 H102 117.5 . . ?
C102 C103 N1 124.8(4) . . ?
C102 C103 C104 124.4(5) . . ?
N1 C103 C104 110.8(4) . . ?
C102 C103 C103 162.7(3) . 6_565 ?
N1 C103 C103 37.9(3) . 6_565 ?
C104 C103 C103 72.9(3) . 6_565 ?
C104 C104 C103 107.1(3) 6_565 . ?
C104 C104 C105 128.7(3) 6_565 . ?
C103 C104 C105 124.0(5) . . ?
C104 C105 C106 111.7(4) . . ?
C104 C105 H105 109.3 . . ?
C106 C105 H105 109.3 . . ?
C104 C105 H106 109.3 . . ?
C106 C105 H106 109.3 . . ?
H105 C105 H106 107.9 . . ?
C105 C106 H10A 109.5 . . ?
C105 C106 H10B 109.5 . . ?
H10A C106 H10B 109.5 . . ?
C105 C106 H10C 109.5 . . ?
H10A C106 H10C 109.5 . . ?
H10B C106 H10C 109.5 . . ?
C108 C107 C112 122.1(10) . . ?
C108 C107 H107 118.9 . . ?
C112 C107 H107 118.9 . . ?
C107 C108 C109 117.8(9) . . ?
C107 C108 H108 121.1 . . ?
C109 C108 H108 121.1 . . ?
C110 C109 C108 122.8(10) . . ?
C110 C109 H109 118.6 . . ?
C108 C109 H109 118.6 . . ?
C109 C110 C111 116.3(10) . . ?
C109 C110 H110 121.9 . . ?
C111 C110 H110 121.9 . . ?
C112 C111 C110 121.0(9) . . ?
C112 C111 H111 119.5 . . ?
C110 C111 H111 119.5 . . ?
C111 C112 C107 120.1(10) . . ?
C111 C112 H112 120.0 . . ?
C107 C112 H112 120.0 . . ?
C114 C113 C118 120.0 . . ?
C114 C113 H113 120.0 . . ?
C118 C113 H113 120.0 . . ?
C115 C114 C113 120.0 . . ?
C115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C114 C115 C116 120.0 . . ?
C114 C115 H115 120.0 . . ?
C116 C115 H115 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 H116 120.0 . . ?
C115 C116 H116 120.0 . . ?
C118 C117 C116 120.0 . . ?
C118 C117 H117 120.0 . . ?
C116 C117 H117 120.0 . . ?
C117 C118 C113 120.0 . . ?
C117 C118 H118 120.0 . . ?
C113 C118 H118 120.0 . . ?
Y2 Y1 C87 82.0(3) 6_565 . ?
Y2 Y1 C88 76.8(3) 6_565 . ?
C87 Y1 C88 28.2(4) . . ?
Y1 Y2 C87 64.7(2) 6_565 . ?
Y1 Y2 C88 71.3(3) 6_565 . ?
C87 Y2 C88 26.9(4) . . ?
Y1 Y2 Y2 99.59(10) 6_565 6_565 ?
C87 Y2 Y2 35.2(2) . 6_565 ?
C88 Y2 Y2 36.6(2) . 6_565 ?
C88 C87 Y1 85.1(3) . 6_565 ?
C88 C87 Y1 85.1(3) . . ?
Y1 C87 Y1 170.1(6) 6_565 . ?
C88 C87 Y2 78.7(5) . . ?
Y1 C87 Y2 33.25(10) 6_565 . ?
Y1 C87 Y2 142.4(5) . . ?
C88 C87 Y2 78.7(5) . 6_565 ?
Y1 C87 Y2 142.4(5) 6_565 6_565 ?
Y1 C87 Y2 33.25(10) . 6_565 ?
Y2 C87 Y2 109.7(5) . 6_565 ?
C87 C88 Y1 66.7(3) . 6_565 ?
C87 C88 Y1 66.7(3) . . ?
Y1 C88 Y1 133.4(6) 6_565 . ?
C87 C88 Y2 74.4(5) . . ?
Y1 C88 Y2 31.95(10) 6_565 . ?
Y1 C88 Y2 128.8(5) . . ?
C87 C88 Y2 74.4(5) . 6_565 ?
Y1 C88 Y2 128.8(5) 6_565 6_565 ?
Y1 C88 Y2 31.95(10) . 6_565 ?
Y2 C88 Y2 106.8(4) . 6_565 ?

_refine_diff_density_max         1.737
_refine_diff_density_min         -1.951
_refine_diff_density_rms         0.164

####################################################################### 
# 
# 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_Y2C94-III_sqd
_database_code_depnum_ccdc_archive 'CCDC 1812135'
loop_
_audit_author_name
_audit_author_address
'Changwang Pan' 'Huazhong university of science and technology'
_audit_update_record             
;
2017-12-18 deposited with the CCDC.	2019-03-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C130 H44 N4 Ni S0 Y2'
_chemical_formula_weight         1898.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0034 0.0017 '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 0.0066 0.0034 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1265 0.1256 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3437 1.1214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7931 3.5509 '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                   24.3282(7)
_cell_length_b                   17.8364(6)
_cell_length_c                   19.1972(6)
_cell_angle_alpha                90
_cell_angle_beta                 91.9020(10)
_cell_angle_gamma                90
_cell_volume                     8325.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9983
_cell_measurement_theta_min      2.312
_cell_measurement_theta_max      24.686

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_F_000             3832
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.030
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.670
_shelx_estimated_absorpt_T_min   0.952
_shelx_estimated_absorpt_T_max   0.967
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5315
_exptl_absorpt_correction_T_max  0.6636
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6525
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline B17B'
_diffrn_measurement_device_type  'CCD MX300-HE'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            64832
_diffrn_reflns_av_unetI/netI     0.0482
_diffrn_reflns_av_R_equivalents  0.0760
_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         0.974
_diffrn_reflns_theta_max         24.713
_diffrn_reflns_theta_full        23.048
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measured_fraction_theta_full 0.953
_diffrn_reflns_Laue_measured_fraction_max 0.948
_diffrn_reflns_Laue_measured_fraction_full 0.953
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_point_group_measured_fraction_full 0.953
_reflns_number_total             8998
_reflns_number_gt                7333
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.2000P)²+70.0000P] 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         8998
_refine_ls_number_parameters     1119
_refine_ls_number_restraints     2394
_refine_ls_R_factor_all          0.1436
_refine_ls_R_factor_gt           0.1308
_refine_ls_wR_factor_ref         0.3515
_refine_ls_wR_factor_gt          0.3404
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.000
_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
C1 C 0.2359(11) 0.263(2) 0.2781(13) 0.136(8) Uani 0.5 1 d D U P . .
C2 C 0.1948(11) 0.2580(18) 0.2221(13) 0.133(8) Uani 0.5 1 d D U P B .
C3 C 0.2244(11) 0.250(2) 0.1572(11) 0.130(8) Uani 0.5 1 d D U P . .
C4 C 0.2822(10) 0.2558(18) 0.1750(10) 0.112(7) Uani 0.5 1 d D U P B .
C5 C 0.2902(9) 0.2634(12) 0.2486(10) 0.101(7) Uani 0.5 1 d D U P B .
C6 C 0.3321(10) 0.3043(12) 0.2751(12) 0.120(7) Uani 0.5 1 d D U P . .
C7 C 0.2178(16) 0.3022(16) 0.343(2) 0.155(9) Uani 0.5 1 d D U P B .
C8 C 0.1724(12) 0.3467(17) 0.3373(15) 0.139(8) Uani 0.5 1 d D U P . .
C9 C 0.1301(11) 0.3460(14) 0.2830(11) 0.136(8) Uani 0.5 1 d D U P B .
C10 C 0.1376(12) 0.3003(15) 0.2199(12) 0.114(6) Uani 0.5 1 d D U P . .
C11 C 0.1219(9) 0.3142(12) 0.1656(9) 0.107(6) Uani 0.5 1 d D U P B .
C12 C 0.1486(8) 0.3070(11) 0.0970(9) 0.096(6) Uani 0.5 1 d D U P . .
C13 C 0.2063(10) 0.2854(19) 0.1000(14) 0.138(8) Uani 0.5 1 d D U P B .
C14 C 0.2378(9) 0.3093(14) 0.0433(12) 0.131(7) Uani 0.5 1 d D U P . .
C15 C 0.2963(10) 0.3070(13) 0.0539(10) 0.120(7) Uani 0.5 1 d D U P B .
C16 C 0.3144(10) 0.2858(16) 0.1274(11) 0.125(7) Uani 0.5 1 d D U P . .
C17 C 0.3630(9) 0.3063(12) 0.1563(11) 0.140(8) Uani 0.5 1 d D U P B .
C18 C 0.3967(18) 0.6015(15) 0.1796(13) 0.192(11) Uani 0.5 1 d D U P B .
C19 C 0.3198(12) 0.3516(16) 0.3426(13) 0.100(6) Uani 0.5 1 d . U P B .
C20 C 0.2604(13) 0.348(2) 0.3655(19) 0.153(9) Uani 0.5 1 d D U P . .
C21 C 0.2353(11) 0.4033(13) 0.4025(10) 0.142(8) Uani 0.5 1 d D U P B .
C22 C 0.1829(11) 0.4102(14) 0.375(2) 0.148(9) Uani 0.5 1 d D U P B .
C23 C 0.1053(8) 0.4205(14) 0.2789(9) 0.117(7) Uani 0.5 1 d D U P . .
C24 C 0.0740(12) 0.4282(10) 0.2189(13) 0.126(7) Uani 0.5 1 d D U P B .
C25 C 0.0832(8) 0.3780(13) 0.1601(10) 0.109(6) Uani 0.5 1 d D U P . .
C26 C 0.0843(13) 0.4092(17) 0.0888(13) 0.133(8) Uani 0.5 1 d D U P B .
C27 C 0.1267(7) 0.3663(11) 0.0512(9) 0.096(6) Uani 0.5 1 d D U P B .
C28 C 0.1649(9) 0.4036(18) 0.0021(12) 0.135(8) Uani 0.5 1 d D U P . .
C29 C 0.2208(9) 0.3683(19) -0.0038(16) 0.151(8) Uani 0.5 1 d D U P B .
C30 C 0.2720(10) 0.3978(15) -0.0284(9) 0.156(8) Uani 0.5 1 d D U P . .
C31 C 0.3181(9) 0.3617(14) 0.0069(14) 0.145(8) Uani 0.5 1 d D U P B .
C32 C 0.3660(11) 0.3923(15) 0.0424(16) 0.148(8) Uani 0.5 1 d D U P . .
C33 C 0.3772(9) 0.3668(13) 0.1163(11) 0.106(6) Uani 0.5 1 d D U P B .
C34 C 0.4078(17) 0.410(2) 0.1631(13) 0.152(9) Uani 0.5 1 d D U P . .
C35 C 0.3943(12) 0.3907(14) 0.2309(13) 0.133(8) Uani 0.5 1 d D U P B .
C36 C 0.3824(14) 0.4334(17) 0.2905(19) 0.121(8) Uani 0.5 1 d . U P . .
C37 C 0.3446(14) 0.411(2) 0.3499(16) 0.121(7) Uani 0.5 1 d . U P B .
C38 C 0.3199(12) 0.4703(16) 0.392(2) 0.130(9) Uani 0.5 1 d D U P . .
C39 C 0.2666(11) 0.4646(12) 0.4115(15) 0.154(9) Uani 0.5 1 d D U P B .
C40 C 0.2450(9) 0.5358(12) 0.4175(16) 0.146(8) Uani 0.5 1 d D U P . .
C41 C 0.1932(8) 0.5438(11) 0.3962(10) 0.115(7) Uani 0.5 1 d D U P B .
C42 C 0.1633(9) 0.4812(12) 0.3756(12) 0.151(8) Uani 0.5 1 d D U P . .
C43 C 0.1216(7) 0.4815(12) 0.3250(9) 0.123(8) Uani 0.5 1 d D U P B .
C44 C 0.0840(17) 0.5599(13) 0.2355(15) 0.179(10) Uani 0.5 1 d D U P B .
C45 C 0.0638(8) 0.500000 0.1934(13) 0.150(7) Uani 1 2 d DS TU P . .
C46 C 0.0657(9) 0.5311(16) 0.1230(17) 0.147(9) Uani 0.5 1 d D U P B .
C47 C 0.0781(10) 0.4779(15) 0.0690(15) 0.134(8) Uani 0.5 1 d D U P . .
C48 C 0.1133(10) 0.5117(17) 0.0188(11) 0.160(9) Uani 0.5 1 d D U P B .
C49 C 0.1571(12) 0.4743(16) -0.0152(12) 0.156(9) Uani 0.5 1 d D U P B .
C50 C 0.2039(12) 0.5195(18) -0.0373(9) 0.160(9) Uani 0.5 1 d D U P . .
C51 C 0.2725(13) 0.4784(17) -0.0292(13) 0.185(9) Uani 0.5 1 d D U P B .
C52 C 0.3287(12) 0.500000 -0.0104(14) 0.205(9) Uani 1 2 d DS TU P . .
C53 C 0.3702(12) 0.4711(13) 0.0359(15) 0.175(10) Uani 0.5 1 d D U P B .
C54 C 0.3999(11) 0.500000 0.0945(14) 0.195(9) Uani 1 2 d DS TU P . .
C55 C 0.4151(13) 0.4720(13) 0.1642(16) 0.168(10) Uani 0.5 1 d D U P B .
C56 C 0.4133(13) 0.5326(15) 0.2165(13) 0.178(10) Uani 0.5 1 d D U P . .
C57 C 0.3903(9) 0.500000 0.2821(12) 0.165(7) Uani 1 2 d DS TU P B .
C58 C 0.3723(15) 0.5650(14) 0.3248(13) 0.118(8) Uani 0.5 1 d D U P . .
C59 C 0.3302(10) 0.5449(18) 0.379(2) 0.134(8) Uani 0.5 1 d D U P B .
C60 C 0.2854(9) 0.5850(10) 0.3981(9) 0.118(7) Uani 0.5 1 d D U P B .
C61 C 0.2758(9) 0.6536(15) 0.3726(16) 0.134(8) Uani 0.5 1 d D U P . .
C62 C 0.2194(8) 0.6672(13) 0.3560(12) 0.134(8) Uani 0.5 1 d D U P B .
C63 C 0.1787(8) 0.6150(11) 0.3698(12) 0.121(7) Uani 0.5 1 d D U P . .
C64 C 0.1013(12) 0.5514(13) 0.3053(14) 0.184(10) Uani 0.5 1 d D U P . .
C65 C 0.1329(9) 0.6139(13) 0.3258(10) 0.166(9) Uani 0.5 1 d D U P B .
C66 C 0.1278(14) 0.6671(16) 0.2730(14) 0.194(11) Uani 0.5 1 d D U P . .
C67 C 0.0969(12) 0.6334(16) 0.2185(13) 0.177(9) Uani 0.5 1 d D U P B .
C68 C 0.1002(14) 0.653(2) 0.1504(14) 0.180(11) Uani 0.5 1 d D U P . .
C69 C 0.0862(18) 0.6010(17) 0.100(2) 0.185(11) Uani 0.5 1 d D U P B .
C70 C 0.1180(12) 0.5877(15) 0.0402(15) 0.183(10) Uani 0.5 1 d D U P . .
C71 C 0.2062(17) 0.5918(19) -0.010(2) 0.193(11) Uani 0.5 1 d D U P B .
C72 C 0.2650(13) 0.616(2) 0.0108(18) 0.195(10) Uani 0.5 1 d D U P . .
C73 C 0.3205(13) 0.5828(11) 0.0045(15) 0.167(9) Uani 0.5 1 d D U P B .
C74 C 0.3547(11) 0.6198(15) 0.0593(15) 0.208(11) Uani 0.5 1 d D U P . .
C75 C 0.3915(15) 0.5811(9) 0.1055(13) 0.206(11) Uani 0.5 1 d D U P B .
C76 C 0.3650(13) 0.6594(15) 0.2191(13) 0.160(10) Uani 0.5 1 d D U P . .
C77 C 0.3602(11) 0.6413(13) 0.2952(14) 0.146(8) Uani 0.5 1 d D U P B .
C78 C 0.3109(9) 0.6839(16) 0.3223(15) 0.123(8) Uani 0.5 1 d D U P B .
C79 C 0.2752(11) 0.7272(15) 0.2780(15) 0.136(9) Uani 0.5 1 d D U P . .
C80 C 0.2191(9) 0.7166(13) 0.2981(12) 0.146(9) Uani 0.5 1 d D U P B .
C81 C 0.1713(10) 0.7136(15) 0.2572(13) 0.161(9) Uani 0.5 1 d D U P B .
C82 C 0.1751(11) 0.7350(19) 0.1874(13) 0.171(10) Uani 0.5 1 d D U P . .
C83 C 0.1420(11) 0.7037(19) 0.1332(15) 0.187(11) Uani 0.5 1 d D U P B .
C84 C 0.1651(15) 0.6294(17) 0.0280(19) 0.209(11) Uani 0.5 1 d D U P B .
C85 C 0.1744(14) 0.690(2) 0.0747(15) 0.200(11) Uani 0.5 1 d D U P . .
C86 C 0.2303(10) 0.742(3) 0.1624(18) 0.174(11) Uani 0.5 1 d D U P B .
C87 C 0.2853(12) 0.748(3) 0.194(2) 0.171(11) Uani 0.5 1 d D U P B .
C88 C 0.2272(11) 0.724(2) 0.0896(16) 0.194(11) Uani 0.5 1 d D U P B .
C89 C 0.2682(12) 0.6755(19) 0.0640(17) 0.194(11) Uani 0.5 1 d D U P B .
C90 C 0.3303(10) 0.7060(15) 0.1680(14) 0.160(9) Uani 0.5 1 d D U P B .
C91 C 0.3245(11) 0.6799(16) 0.0945(14) 0.183(10) Uani 0.5 1 d D U P B .
C92 C 0.3699(10) 0.3210(12) 0.2264(11) 0.111(7) Uani 0.5 1 d D U P B .
C95 C -0.0708(3) 0.6242(4) 0.1426(3) 0.0548(15) Uani 1 1 d . . . A 3
H95A H -0.055317 0.583532 0.115086 0.082 Uiso 1 1 calc R U . A 3
H95B H -0.040981 0.651841 0.166597 0.082 Uiso 1 1 calc R U . A 3
H95C H -0.091689 0.658282 0.111658 0.082 Uiso 1 1 calc R U . A 3
N3 N 0.0828(2) 0.500000 0.4986(3) 0.0295(11) Uani 1 2 d S T P A 3
N2 N 0.03044(15) 0.6097(2) 0.41800(18) 0.0304(8) Uani 1 1 d . . . A 3
N1 N -0.0228(2) 0.500000 0.3384(3) 0.0347(12) Uani 1 2 d S T P A 3
Ni1 Ni 0.02907(3) 0.500000 0.41947(4) 0.0277(3) Uani 1 2 d S T P A 3
C96 C -0.1093(2) 0.5910(3) 0.1968(3) 0.0456(12) Uani 1 1 d . . . A 3
H96A H -0.125524 0.632475 0.223561 0.055 Uiso 1 1 calc R U . A 3
H96B H -0.139757 0.564100 0.172135 0.055 Uiso 1 1 calc R U . A 3
C97 C -0.0803(2) 0.5380(3) 0.2466(2) 0.0401(11) Uani 1 1 d . . . A 3
C98 C -0.04488(19) 0.5611(3) 0.3038(2) 0.0338(10) Uani 1 1 d . . . A 3
C99 C -0.0335(2) 0.6343(3) 0.3199(2) 0.0374(10) Uani 1 1 d . . . A 3
H99 H -0.051772 0.672066 0.292974 0.045 Uiso 1 1 calc R U . A 3
C100 C 0.0027(2) 0.6570(3) 0.3729(2) 0.0345(10) Uani 1 1 d . . . A 3
C101 C 0.0152(2) 0.7349(3) 0.3877(3) 0.0367(10) Uani 1 1 d . . . A 3
C102 C -0.0068(3) 0.8001(3) 0.3470(3) 0.0472(13) Uani 1 1 d . . . A 3
H10A H -0.004007 0.845696 0.376339 0.057 Uiso 1 1 calc R U . A 3
H10B H -0.046217 0.791502 0.335203 0.057 Uiso 1 1 calc R U . A 3
C103 C 0.0239(3) 0.8138(4) 0.2793(3) 0.0605(16) Uani 1 1 d . . . A 3
H10C H 0.019550 0.769996 0.248731 0.091 Uiso 1 1 calc R U . A 3
H10D H 0.063036 0.821897 0.290440 0.091 Uiso 1 1 calc R U . A 3
H10E H 0.008619 0.858129 0.255505 0.091 Uiso 1 1 calc R U . A 3
C104 C 0.0510(2) 0.7344(3) 0.4431(2) 0.0361(10) Uani 1 1 d . . . A 3
C105 C 0.0782(2) 0.8000(3) 0.4794(3) 0.0439(12) Uani 1 1 d . . . A 3
H10F H 0.080222 0.790374 0.530222 0.053 Uiso 1 1 calc R U . A 3
H10G H 0.055397 0.845375 0.471296 0.053 Uiso 1 1 calc R U . A 3
C106 C 0.1367(3) 0.8148(4) 0.4538(3) 0.0626(17) Uani 1 1 d . . . A 3
H10H H 0.134386 0.832754 0.405503 0.094 Uiso 1 1 calc R U . A 3
H10I H 0.158022 0.768235 0.456093 0.094 Uiso 1 1 calc R U . A 3
H10J H 0.154746 0.852837 0.483406 0.094 Uiso 1 1 calc R U . A 3
C107 C 0.06021(19) 0.6571(3) 0.4613(2) 0.0332(10) Uani 1 1 d . . . A 3
C108 C 0.09523(19) 0.6338(3) 0.5154(2) 0.0324(9) Uani 1 1 d . . . A 3
H108 H 0.112601 0.671332 0.543544 0.039 Uiso 1 1 calc R U . A 3
C109 C 0.1065(2) 0.5608(3) 0.5311(2) 0.0331(10) Uani 1 1 d . . . A 3
C110 C 0.1454(2) 0.5378(3) 0.5856(2) 0.0336(10) Uani 1 1 d . . . A 3
C111 C 0.1804(2) 0.5903(3) 0.6296(3) 0.0402(11) Uani 1 1 d . . . A 3
H11A H 0.191340 0.565013 0.673767 0.048 Uiso 1 1 calc R U . A 3
H11B H 0.158373 0.635023 0.641160 0.048 Uiso 1 1 calc R U . A 3
C112 C 0.2322(2) 0.6155(4) 0.5927(3) 0.0528(14) Uani 1 1 d . . . A 3
H11C H 0.254657 0.571537 0.582244 0.079 Uiso 1 1 calc R U . A 3
H11D H 0.253424 0.649739 0.623028 0.079 Uiso 1 1 calc R U . A 3
H11E H 0.221566 0.641198 0.549174 0.079 Uiso 1 1 calc R U . A 3
Y1 Y 0.2130(3) 0.3791(6) 0.2247(8) 0.085(5) Uani 0.1234 1 d . . P B 2
Y2 Y 0.2280(3) 0.4255(3) 0.2823(3) 0.0486(13) Uani 0.1151 1 d . . P B 2
Y3 Y 0.2210(3) 0.500000 0.2973(3) 0.0370(15) Uani 0.0988 2 d S T P B 2
Y4 Y 0.2536(3) 0.4509(4) 0.0724(2) 0.104(2) Uani 0.1863 1 d . . P B 2
Y5 Y 0.2104(7) 0.3799(7) 0.2075(6) 0.107(6) Uani 0.1211 1 d . . P B 2
Y6 Y 0.2923(5) 0.4207(10) 0.1147(12) 0.231(10) Uani 0.1493 1 d . . P B 2
Y7 Y 0.2981(6) 0.4682(6) 0.0803(5) 0.074(3) Uani 0.0825 1 d . . P B 2
Y8 Y 0.2519(6) 0.4465(11) 0.2965(6) 0.079(5) Uani 0.0661 1 d . . P B 2
Y9 Y 0.1781(18) 0.422(3) 0.209(2) 0.39(3) Uani 0.1069 1 d . . P B 2
C93 C 0.2222(7) 0.500000 0.1732(8) 0.138(8) Uani 1 2 d DS T P B 2
C94 C 0.2602(7) 0.500000 0.2003(8) 0.121(7) Uani 1 2 d DS T P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C80 0.68(4) 6_565 ?
C1 C79 0.97(4) 6_565 ?
C1 C2 1.446(19) . ?
C1 C5 1.456(19) . ?
C1 C7 1.51(4) . ?
C1 C81 1.66(4) 6_565 ?
C1 C62 2.00(4) 6_565 ?
C1 Y1 2.37(4) . ?
C1 Y5 2.55(4) . ?
C1 Y2 2.91(4) . ?
C2 C82 0.82(3) 6_565 ?
C2 C81 1.03(4) 6_565 ?
C2 C86 1.46(4) 6_565 ?
C2 C3 1.467(19) . ?
C2 C10 1.58(4) . ?
C2 C80 1.62(4) 6_565 ?
C2 Y1 2.21(3) . ?
C2 Y5 2.23(3) . ?
C2 Y9 2.96(7) . ?
C3 C86 0.22(7) 6_565 ?
C3 C13 1.33(4) . ?
C3 C82 1.37(4) 6_565 ?
C3 C88 1.38(4) 6_565 ?
C3 C4 1.439(19) . ?
C3 C87 1.62(4) 6_565 ?
C3 Y5 2.54(4) . ?
C3 Y1 2.66(4) . ?
C4 C87 0.38(4) 6_565 ?
C4 C86 1.28(4) 6_565 ?
C4 C16 1.34(2) . ?
C4 C90 1.37(4) 6_565 ?
C4 C5 1.427(15) . ?
C4 C79 2.01(3) 6_565 ?
C4 Y5 2.90(4) . ?
C4 Y1 2.95(3) . ?
C5 C79 0.70(3) 6_565 ?
C5 C87 1.07(5) 6_565 ?
C5 C6 1.341(19) . ?
C5 C78 1.76(4) 6_565 ?
C5 C90 1.94(4) 6_565 ?
C5 C80 2.03(3) 6_565 ?
C5 Y1 2.82(2) . ?
C5 Y5 2.94(3) . ?
C6 C78 1.08(3) 6_565 ?
C6 C77 1.24(3) 6_565 ?
C6 C92 1.36(2) . ?
C6 C79 1.50(4) 6_565 ?
C6 C76 1.51(4) 6_565 ?
C6 C19 1.58(4) . ?
C7 C62 0.60(4) 6_565 ?
C7 C80 0.93(4) 6_565 ?
C7 C8 1.36(2) . ?
C7 C20 1.38(2) . ?
C7 C61 1.70(4) 6_565 ?
C7 C63 1.84(4) 6_565 ?
C7 C79 1.98(5) 6_565 ?
C7 C81 1.99(4) 6_565 ?
C7 Y2 2.50(4) . ?
C7 Y1 2.65(4) . ?
C7 Y8 2.86(4) . ?
C8 C63 0.93(3) 6_565 ?
C8 C65 1.20(4) 6_565 ?
C8 C62 1.21(4) 6_565 ?
C8 C22 1.359(19) . ?
C8 C9 1.44(2) . ?
C8 C66 1.63(4) 6_565 ?
C8 C80 1.79(4) 6_565 ?
C8 C81 1.88(4) 6_565 ?
C8 Y2 2.24(3) . ?
C8 Y1 2.47(3) . ?
C8 Y5 2.75(3) . ?
C9 C66 0.31(4) 6_565 ?
C9 C65 1.09(3) 6_565 ?
C9 C23 1.46(2) . ?
C9 C10 1.48(2) . ?
C9 C67 1.50(3) 6_565 ?
C9 C81 1.55(4) 6_565 ?
C9 C64 2.01(3) 6_565 ?
C9 Y9 2.31(4) . ?
C9 Y1 2.41(3) . ?
C9 Y5 2.54(3) . ?
C9 Y2 2.77(3) . ?
C10 C81 1.10(3) 6_565 ?
C10 C11 1.13(3) . ?
C10 C66 1.20(3) 6_565 ?
C10 C82 1.29(4) 6_565 ?
C10 C67 1.54(4) 6_565 ?
C10 C83 1.67(4) 6_565 ?
C10 C68 1.79(4) 6_565 ?
C10 Y5 2.29(3) . ?
C10 Y1 2.31(2) . ?
C10 Y9 2.40(5) . ?
C11 C68 0.83(3) 6_565 ?
C11 C83 0.87(3) 6_565 ?
C11 C25 1.478(17) . ?
C11 C12 1.494(16) . ?
C11 C67 1.52(3) 6_565 ?
C11 C82 1.61(3) 6_565 ?
C11 Y9 2.49(4) . ?
C11 Y5 2.56(2) . ?
C11 Y1 2.72(2) . ?
C12 C83 0.74(3) 6_565 ?
C12 C85 0.77(3) 6_565 ?
C12 C13 1.45(2) . ?
C12 C27 1.465(14) . ?
C12 C68 1.74(3) 6_565 ?
C12 C84 1.80(3) 6_565 ?
C12 C82 1.98(3) 6_565 ?
C12 C88 2.00(3) 6_565 ?
C12 Y5 2.87(2) . ?
C12 Y9 3.04(5) . ?
C13 C88 0.57(4) 6_565 ?
C13 C85 1.01(4) 6_565 ?
C13 C86 1.40(4) 6_565 ?
C13 C14 1.42(2) . ?
C13 C83 1.72(3) 6_565 ?
C13 C89 1.82(4) 6_565 ?
C13 C82 1.90(3) 6_565 ?
C13 Y5 2.66(3) . ?
C13 Y1 2.92(3) . ?
C14 C89 0.87(4) 6_565 ?
C14 C88 1.10(4) 6_565 ?
C14 C15 1.433(17) . ?
C14 C29 1.439(14) . ?
C14 C72 1.62(4) 6_565 ?
C14 C85 1.67(4) 6_565 ?
C14 Y4 2.61(3) . ?
C14 Y6 2.73(3) . ?
C15 C89 0.78(4) 6_565 ?
C15 C91 1.05(3) 6_565 ?
C15 C31 1.441(18) . ?
C15 C16 1.51(3) . ?
C15 C72 1.76(4) 6_565 ?
C15 C88 1.92(3) 6_565 ?
C15 C74 1.93(3) 6_565 ?
C15 Y6 2.34(2) . ?
C15 Y4 2.80(2) . ?
C15 Y7 2.92(3) . ?
C16 C90 0.87(3) 6_565 ?
C16 C91 0.92(3) 6_565 ?
C16 C17 1.34(2) . ?
C16 C87 1.60(4) 6_565 ?
C16 C89 1.77(4) 6_565 ?
C16 Y6 2.48(3) . ?
C17 C90 0.86(3) 6_565 ?
C17 C76 1.35(3) 6_565 ?
C17 C33 1.375(19) . ?
C17 C92 1.376(15) . ?
C17 C91 1.51(3) 6_565 ?
C17 C18 1.89(3) 6_565 ?
C17 Y6 2.77(3) . ?
C18 C34 0.47(4) 6_565 ?
C18 C35 1.00(3) 6_565 ?
C18 C33 1.41(3) 6_565 ?
C18 C55 1.42(4) 6_565 ?
C18 C56 1.468(15) . ?
C18 C75 1.469(15) . ?
C18 C76 1.51(2) . ?
C18 C92 1.79(3) 6_565 ?
C18 Y6 2.82(4) 6_565 ?
C19 C78 0.77(3) 6_565 ?
C19 C37 1.22(4) . ?
C19 C61 1.24(5) 6_565 ?
C19 C77 1.37(4) 6_565 ?
C19 C20 1.53(4) . ?
C19 C60 1.78(4) 6_565 ?
C19 C59 1.99(4) 6_565 ?
C19 C58 2.00(4) 6_565 ?
C19 Y8 2.51(3) . ?
C19 Y2 2.81(2) . ?
C20 C61 0.39(4) 6_565 ?
C20 C62 1.04(4) 6_565 ?
C20 C21 1.37(2) . ?
C20 C60 1.47(4) 6_565 ?
C20 C78 1.61(4) 6_565 ?
C20 C80 1.98(4) 6_565 ?
C20 Y8 2.21(4) . ?
C20 Y2 2.23(4) . ?
C20 Y1 2.96(4) . ?
C21 C40 1.15(4) 6_565 ?
C21 C60 1.24(3) 6_565 ?
C21 C39 1.339(19) . ?
C21 C22 1.372(15) . ?
C21 C41 1.39(3) 6_565 ?
C21 C63 1.53(3) 6_565 ?
C21 C61 1.54(4) 6_565 ?
C21 C62 1.58(3) 6_565 ?
C21 Y8 2.23(2) . ?
C21 Y2 2.342(19) . ?
C21 Y3 2.671(19) . ?
C22 C63 0.47(3) 6_565 ?
C22 C41 0.95(3) 6_565 ?
C22 C42 1.354(19) . ?
C22 C65 1.57(3) 6_565 ?
C22 C62 1.69(3) 6_565 ?
C22 C40 1.95(4) 6_565 ?
C22 C42 2.00(4) 6_565 ?
C22 Y2 2.13(4) . ?
C22 Y8 2.38(4) . ?
C22 Y3 2.39(4) . ?
C23 C64 0.72(4) 6_565 ?
C23 C44 1.03(3) 6_565 ?
C23 C65 1.26(3) 6_565 ?
C23 C24 1.367(18) . ?
C23 C43 1.449(18) . ?
C23 C67 1.51(3) 6_565 ?
C23 C66 1.66(4) 6_565 ?
C23 C43 1.99(4) 6_565 ?
C23 Y9 2.26(3) . ?
C23 Y1 2.94(2) . ?
C23 Y2 2.99(2) . ?
C24 C44 0.45(3) 6_565 ?
C24 C67 1.23(3) 6_565 ?
C24 C45 1.390(19) . ?
C24 C25 1.46(3) . ?
C24 C64 1.80(3) 6_565 ?
C24 C46 1.98(4) 6_565 ?
C24 Y9 2.55(5) . ?
C25 C68 0.72(4) 6_565 ?
C25 C67 1.18(3) 6_565 ?
C25 C69 1.22(4) 6_565 ?
C25 C26 1.478(17) . ?
C25 C46 1.81(4) 6_565 ?
C25 C44 1.82(3) 6_565 ?
C25 Y9 2.59(5) . ?
C26 C69 0.28(4) 6_565 ?
C26 C70 1.26(4) 6_565 ?
C26 C47 1.29(4) . ?
C26 C46 1.34(4) 6_565 ?
C26 C27 1.490(17) . ?
C26 C68 1.66(4) 6_565 ?
C27 C70 0.87(3) 6_565 ?
C27 C84 1.05(3) 6_565 ?
C27 C69 1.50(3) 6_565 ?
C27 C28 1.50(2) . ?
C27 C85 1.59(3) 6_565 ?
C27 C83 2.03(3) 6_565 ?
C28 C84 0.77(4) 6_565 ?
C28 C71 1.04(4) 6_565 ?
C28 C49 1.32(4) . ?
C28 C70 1.38(4) 6_565 ?
C28 C29 1.51(2) . ?
C28 C50 1.85(4) 6_565 ?
C28 C48 2.00(4) 6_565 ?
C28 Y4 2.65(2) . ?
C29 C71 0.80(4) 6_565 ?
C29 C72 1.14(4) 6_565 ?
C29 C30 1.445(17) . ?
C29 C84 1.51(4) 6_565 ?
C29 C89 1.88(4) 6_565 ?
C29 Y4 2.21(4) . ?
C29 Y6 2.97(4) . ?
C29 Y7 3.02(4) . ?
C30 C72 0.81(3) 6_565 ?
C30 C73 1.37(3) 6_565 ?
C30 C51 1.44(2) . ?
C30 C31 1.442(14) . ?
C30 C71 1.66(4) 6_565 ?
C30 Y4 2.21(2) . ?
C30 Y7 2.50(2) . ?
C30 Y6 2.80(3) . ?
C31 C73 0.99(3) 6_565 ?
C31 C72 1.36(4) 6_565 ?
C31 C74 1.36(3) 6_565 ?
C31 C32 1.44(2) . ?
C31 C89 1.79(4) 6_565 ?
C31 C91 1.84(4) 6_565 ?
C31 Y6 2.42(3) . ?
C31 Y7 2.42(3) . ?
C31 Y4 2.59(3) . ?
C32 C74 0.48(4) 6_565 ?
C32 C73 1.38(4) 6_565 ?
C32 C53 1.41(2) . ?
C32 C75 1.42(4) 6_565 ?
C32 C33 1.51(3) . ?
C32 C91 1.94(4) 6_565 ?
C32 Y7 2.27(3) . ?
C32 Y6 2.36(3) . ?
C32 Y4 3.00(3) . ?
C33 C75 1.02(3) 6_565 ?
C33 C74 1.23(3) 6_565 ?
C33 C34 1.382(19) . ?
C33 C91 1.57(3) 6_565 ?
C33 C90 2.01(4) 6_565 ?
C33 Y6 2.28(3) . ?
C33 Y7 2.71(3) . ?
C34 C55 1.12(4) . ?
C34 C75 1.17(4) 6_565 ?
C34 C35 1.395(19) . ?
C34 C56 1.45(4) 6_565 ?
C34 C76 1.96(4) 6_565 ?
C34 Y6 2.94(4) . ?
C35 C76 1.16(4) 6_565 ?
C35 C92 1.379(19) . ?
C35 C36 1.41(4) . ?
C35 C56 1.47(4) 6_565 ?
C35 C77 1.61(4) 6_565 ?
C35 C55 2.01(4) . ?
C36 C58 0.71(5) 6_565 ?
C36 C57 1.21(3) . ?
C36 C77 1.44(4) 6_565 ?
C36 C37 1.54(5) . ?
C36 C56 1.74(5) 6_565 ?
C37 C58 0.95(5) 6_565 ?
C37 C59 1.03(4) 6_565 ?
C37 C77 1.46(4) 6_565 ?
C37 C38 1.48(4) . ?
C37 C60 1.74(4) 6_565 ?
C37 C78 1.94(4) 6_565 ?
C37 Y8 2.53(3) . ?
C38 C59 0.46(4) 6_565 ?
C38 C38 1.06(6) 6_565 ?
C38 C60 1.30(4) 6_565 ?
C38 C39 1.363(17) . ?
C38 C59 1.381(18) . ?
C38 C39 1.79(3) 6_565 ?
C38 C40 1.90(3) 6_565 ?
C38 C58 1.95(5) 6_565 ?
C38 Y8 2.47(5) . ?
C38 Y8 2.85(4) 6_565 ?
C38 Y3 3.02(4) . ?
C39 C40 0.54(3) 6_565 ?
C39 C60 1.03(3) 6_565 ?
C39 C39 1.26(4) 6_565 ?
C39 C40 1.380(14) . ?
C39 C59 1.70(3) 6_565 ?
C39 C41 1.81(3) 6_565 ?
C39 Y8 2.25(3) . ?
C39 Y3 2.50(3) . ?
C39 Y2 2.71(3) . ?
C40 C40 1.28(4) 6_565 ?
C40 C41 1.320(19) . ?
C40 C60 1.377(14) . ?
C40 C41 1.93(3) 6_565 ?
C40 Y8 2.36(3) 6_565 ?
C40 Y3 2.45(3) . ?
C40 Y2 2.70(3) 6_565 ?
C41 C42 0.93(3) 6_565 ?
C41 C42 1.384(18) . ?
C41 C63 1.408(18) . ?
C41 C41 1.56(4) 6_565 ?
C41 Y3 2.181(19) . ?
C41 Y8 2.43(2) 6_565 ?
C41 Y2 2.432(19) 6_565 ?
C42 C42 0.67(4) 6_565 ?
C42 C43 1.380(18) . ?
C42 C43 1.53(2) 6_565 ?
C42 C63 1.76(3) 6_565 ?
C42 Y3 2.12(2) . ?
C42 Y2 2.62(2) . ?
C42 Y8 2.75(3) . ?
C42 Y2 2.94(2) 6_565 ?
C43 C43 0.66(4) 6_565 ?
C43 C64 0.85(3) 6_565 ?
C43 C64 1.389(19) . ?
C43 C65 1.72(4) 6_565 ?
C43 Y3 2.517(17) . ?
C43 Y9 2.86(4) . ?
C43 Y2 2.92(2) . ?
C44 C67 1.389(17) . ?
C44 C64 1.399(14) . ?
C44 C45 1.417(18) . ?
C44 Y9 2.38(6) 6_565 ?
C45 C46 1.46(3) . ?
C45 C46 1.46(3) 6_565 ?
C46 C47 1.10(2) 6_565 ?
C46 C46 1.11(6) 6_565 ?
C46 C69 1.42(2) . ?
C46 C47 1.445(18) . ?
C47 C47 0.79(5) 6_565 ?
C47 C48 1.32(2) 6_565 ?
C47 C48 1.440(19) . ?
C47 C69 1.54(4) 6_565 ?
C47 C70 1.63(4) 6_565 ?
C48 C48 0.42(6) 6_565 ?
C48 C49 1.29(3) 6_565 ?
C48 C70 1.420(15) . ?
C48 C49 1.43(2) . ?
C48 C70 1.82(5) 6_565 ?
C49 C49 0.92(6) 6_565 ?
C49 C50 1.23(3) 6_565 ?
C49 C50 1.470(19) . ?
C49 C71 1.68(4) 6_565 ?
C49 C70 1.82(4) 6_565 ?
C49 C84 2.03(4) 6_565 ?
C49 Y4 2.87(2) . ?
C50 C50 0.69(7) 6_565 ?
C50 C71 1.39(2) . ?
C50 C51 1.67(4) 6_565 ?
C50 C51 1.82(4) . ?
C50 Y4 2.45(2) 6_565 ?
C50 Y4 2.69(2) . ?
C51 C51 0.77(6) 6_565 ?
C51 C52 1.46(2) . ?
C51 C73 1.71(4) 6_565 ?
C51 C72 1.86(4) 6_565 ?
C51 Y4 2.08(3) . ?
C51 Y7 2.18(3) . ?
C51 Y7 2.37(3) 6_565 ?
C51 Y4 2.38(3) 6_565 ?
C51 Y6 2.97(4) . ?
C52 C53 1.420(19) . ?
C52 C53 1.420(19) 6_565 ?
C52 C73 1.518(18) 6_565 ?
C52 C73 1.518(18) . ?
C52 Y7 2.00(3) 6_565 ?
C52 Y7 2.00(3) . ?
C52 Y4 2.61(3) . ?
C52 Y4 2.61(3) 6_565 ?
C52 Y6 2.95(4) . ?
C52 Y6 2.95(4) 6_565 ?
C53 C53 1.03(5) 6_565 ?
C53 C54 1.413(19) . ?
C53 C73 1.64(3) 6_565 ?
C53 C75 1.70(3) 6_565 ?
C53 C74 1.73(3) 6_565 ?
C53 Y7 1.98(3) . ?
C53 Y7 2.25(3) 6_565 ?
C53 Y6 2.62(4) . ?
C53 Y4 2.97(3) . ?
C54 C55 1.465(18) . ?
C54 C55 1.465(18) 6_565 ?
C54 C75 1.478(14) . ?
C54 C75 1.478(14) 6_565 ?
C54 Y7 2.55(3) . ?
C54 Y7 2.55(3) 6_565 ?
C54 Y6 3.01(3) . ?
C54 Y6 3.01(3) 6_565 ?
C55 C55 1.00(5) 6_565 ?
C55 C56 1.01(2) 6_565 ?
C55 C56 1.477(18) . ?
C55 C75 1.57(3) 6_565 ?
C56 C56 1.16(5) 6_565 ?
C56 C57 1.510(19) . ?
C57 C58 1.494(19) 6_565 ?
C57 C58 1.494(19) . ?
C58 C77 1.50(2) . ?
C58 C59 1.52(4) . ?
C58 Y8 2.97(4) 6_565 ?
C59 C60 1.366(18) . ?
C59 C59 1.60(6) 6_565 ?
C59 Y8 2.44(4) 6_565 ?
C59 Y8 3.00(4) . ?
C60 C61 1.335(19) . ?
C60 Y8 2.162(19) 6_565 ?
C60 Y2 2.591(19) 6_565 ?
C60 Y3 2.880(17) . ?
C61 C78 1.417(19) . ?
C61 C62 1.420(14) . ?
C61 Y8 2.37(3) 6_565 ?
C61 Y2 2.49(3) 6_565 ?
C62 C63 1.392(18) . ?
C62 C80 1.419(15) . ?
C62 Y2 2.19(2) 6_565 ?
C62 Y8 2.47(3) 6_565 ?
C62 Y1 2.65(3) 6_565 ?
C63 C65 1.374(18) . ?
C63 Y2 2.22(3) 6_565 ?
C63 Y8 2.56(3) 6_565 ?
C63 Y3 2.70(2) . ?
C63 Y1 2.94(3) 6_565 ?
C64 C65 1.403(14) . ?
C64 C64 1.83(5) 6_565 ?
C64 Y9 2.71(5) 6_565 ?
C65 C66 1.392(14) . ?
C65 Y2 2.58(2) 6_565 ?
C65 Y9 2.61(4) 6_565 ?
C65 Y1 2.80(3) 6_565 ?
C65 Y5 3.00(3) 6_565 ?
C66 C81 1.39(2) . ?
C66 C67 1.402(14) . ?
C66 Y9 2.37(5) 6_565 ?
C66 Y1 2.44(4) 6_565 ?
C66 Y5 2.55(4) 6_565 ?
C66 Y2 2.94(4) 6_565 ?
C67 C68 1.36(2) . ?
C67 Y9 2.22(4) 6_565 ?
C67 Y5 2.79(4) 6_565 ?
C67 Y1 2.83(3) 6_565 ?
C68 C69 1.38(2) . ?
C68 C83 1.41(2) . ?
C68 Y9 2.55(6) 6_565 ?
C68 Y5 2.92(4) 6_565 ?
C69 C70 1.422(15) . ?
C69 Y9 3.04(7) 6_565 ?
C70 C84 1.39(2) . ?
C71 C84 1.43(2) . ?
C71 C72 1.54(5) . ?
C71 Y4 2.08(5) 6_565 ?
C71 Y7 2.99(5) 6_565 ?
C72 C89 1.475(18) . ?
C72 C73 1.483(18) . ?
C72 Y4 1.71(4) 6_565 ?
C72 Y7 2.15(4) 6_565 ?
C72 Y6 2.18(4) 6_565 ?
C73 C74 1.475(14) . ?
C73 Y7 1.81(3) 6_565 ?
C73 Y4 2.20(3) 6_565 ?
C73 Y6 2.25(4) 6_565 ?
C73 Y7 2.58(3) . ?
C74 C75 1.42(2) . ?
C74 C91 1.477(15) . ?
C74 Y6 2.02(3) 6_565 ?
C74 Y7 2.14(4) 6_565 ?
C74 Y4 2.78(3) 6_565 ?
C75 Y6 2.43(4) 6_565 ?
C75 Y7 2.47(4) 6_565 ?
C76 C92 0.39(4) 6_565 ?
C76 C77 1.51(2) . ?
C76 C90 1.52(2) . ?
C76 Y6 2.99(4) 6_565 ?
C77 C92 1.51(4) 6_565 ?
C77 C78 1.53(4) . ?
C78 C79 1.422(19) . ?
C78 Y8 2.77(3) 6_565 ?
C78 Y2 2.89(2) 6_565 ?
C79 C80 1.443(18) . ?
C79 C87 1.68(5) . ?
C79 Y1 2.61(3) 6_565 ?
C79 Y5 2.80(3) 6_565 ?
C79 Y2 2.96(3) 6_565 ?
C80 C81 1.382(19) . ?
C80 Y1 2.22(2) 6_565 ?
C80 Y5 2.45(2) 6_565 ?
C80 Y2 2.56(2) 6_565 ?
C81 C82 1.40(2) . ?
C81 Y1 2.05(3) 6_565 ?
C81 Y5 2.16(3) 6_565 ?
C81 Y9 2.60(6) 6_565 ?
C82 C83 1.410(14) . ?
C82 C86 1.445(18) . ?
C82 Y5 2.25(4) 6_565 ?
C82 Y1 2.34(4) 6_565 ?
C82 Y9 2.83(6) 6_565 ?
C83 C85 1.416(15) . ?
C83 Y5 2.62(4) 6_565 ?
C83 Y9 2.80(6) 6_565 ?
C83 Y1 2.84(4) 6_565 ?
C84 C85 1.41(2) . ?
C84 Y4 2.70(4) 6_565 ?
C85 C88 1.440(18) . ?
C85 Y5 2.94(4) 6_565 ?
C86 C88 1.435(15) . ?
C86 C87 1.45(2) . ?
C86 Y5 2.40(6) 6_565 ?
C86 Y1 2.52(6) 6_565 ?
C87 C90 1.43(2) . ?
C87 Y5 2.94(6) 6_565 ?
C87 Y1 2.94(6) 6_565 ?
C88 C89 1.42(2) . ?
C88 Y5 2.96(4) 6_565 ?
C89 C91 1.473(15) . ?
C89 Y6 2.05(4) 6_565 ?
C89 Y4 2.29(4) 6_565 ?
C89 Y7 2.68(3) 6_565 ?
C90 C91 1.488(19) . ?
C90 C92 1.53(3) 6_565 ?
C90 Y6 2.64(4) 6_565 ?
C91 Y6 2.00(3) 6_565 ?
C91 Y7 2.73(3) 6_565 ?
C91 Y4 2.92(3) 6_565 ?
C95 C96 1.540(8) . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
N3 C109 1.368(5) 6_565 ?
N3 C109 1.368(5) . ?
N3 Ni1 1.971(5) . ?
N2 C100 1.370(6) . ?
N2 C107 1.374(6) . ?
N2 Ni1 1.958(4) . ?
N1 C98 1.376(6) 6_565 ?
N1 C98 1.376(6) . ?
N1 Ni1 1.971(5) . ?
C96 C97 1.504(7) . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C97 C97 1.354(11) 6_565 ?
C97 C98 1.434(6) . ?
C98 C99 1.368(7) . ?
C99 C100 1.385(6) . ?
C99 H99 0.9500 . ?
C100 C101 1.448(7) . ?
C101 C104 1.353(7) . ?
C101 C102 1.491(7) . ?
C102 C103 1.540(9) . ?
C102 H10A 0.9900 . ?
C102 H10B 0.9900 . ?
C103 H10C 0.9800 . ?
C103 H10D 0.9800 . ?
C103 H10E 0.9800 . ?
C104 C107 1.438(7) . ?
C104 C105 1.505(7) . ?
C105 C106 1.544(9) . ?
C105 H10F 0.9900 . ?
C105 H10G 0.9900 . ?
C106 H10H 0.9800 . ?
C106 H10I 0.9800 . ?
C106 H10J 0.9800 . ?
C107 C108 1.385(6) . ?
C108 C109 1.362(7) . ?
C108 H108 0.9500 . ?
C109 C110 1.448(6) . ?
C110 C110 1.347(10) 6_565 ?
C110 C111 1.506(6) . ?
C111 C112 1.533(8) . ?
C111 H11A 0.9900 . ?
C111 H11B 0.9900 . ?
C112 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
Y1 Y9 1.17(7) . ?
Y1 Y2 1.419(16) . ?
Y1 Y8 2.04(2) . ?
Y1 C93 2.386(11) . ?
Y2 Y8 0.737(14) . ?
Y2 Y3 1.372(6) . ?
Y2 Y5 1.693(11) . ?
Y2 Y9 1.83(5) . ?
Y2 C94 2.223(14) . ?
Y3 Y8 1.215(18) 6_565 ?
Y3 Y8 1.215(18) . ?
Y3 C94 2.119(17) . ?
Y3 C93 2.383(17) . ?
Y4 Y7 1.130(15) . ?
Y4 Y6 1.33(2) . ?
Y4 Y4 1.751(14) 6_565 ?
Y4 Y7 1.806(15) 6_565 ?
Y4 C93 2.279(16) . ?
Y5 Y9 1.09(6) . ?
Y5 C93 2.261(12) . ?
Y5 Y8 2.29(2) . ?
Y5 C94 2.467(14) . ?
Y6 Y7 1.09(3) . ?
Y6 Y7 2.09(3) 6_565 ?
Y6 C94 2.323(16) . ?
Y7 Y7 1.13(2) 6_565 ?
Y8 Y8 1.91(4) 6_565 ?
Y8 C94 2.094(17) . ?
Y9 C93 1.90(3) . ?
Y9 C94 2.44(3) . ?
C93 C94 1.046(15) . ?

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
C80 C1 C79 121(5) 6_565 6_565 ?
C80 C1 C2 92(4) 6_565 . ?
C79 C1 C2 132(3) 6_565 . ?
C80 C1 C5 142(5) 6_565 . ?
C79 C1 C5 25(2) 6_565 . ?
C2 C1 C5 109.0(13) . . ?
C80 C1 C7 23(3) 6_565 . ?
C79 C1 C7 103(3) 6_565 . ?
C2 C1 C7 115(2) . . ?
C5 C1 C7 128(2) . . ?
C80 C1 C81 54(3) 6_565 6_565 ?
C79 C1 C81 151(4) 6_565 6_565 ?
C2 C1 C81 37.9(15) . 6_565 ?
C5 C1 C81 140(2) . 6_565 ?
C7 C1 C81 77(2) . 6_565 ?
C80 C1 C62 26(3) 6_565 6_565 ?
C79 C1 C62 96(3) 6_565 6_565 ?
C2 C1 C62 116(2) . 6_565 ?
C5 C1 C62 119.7(19) . 6_565 ?
C7 C1 C62 11.5(18) . 6_565 ?
C81 C1 C62 79.2(15) 6_565 6_565 ?
C80 C1 Y1 69(4) 6_565 . ?
C79 C1 Y1 93(3) 6_565 . ?
C2 C1 Y1 65.5(18) . . ?
C5 C1 Y1 91.8(17) . . ?
C7 C1 Y1 83(2) . . ?
C81 C1 Y1 57.9(14) 6_565 . ?
C62 C1 Y1 74.2(14) 6_565 . ?
C80 C1 Y5 74(4) 6_565 . ?
C79 C1 Y5 94(3) 6_565 . ?
C2 C1 Y5 60.3(17) . . ?
C5 C1 Y5 89.8(16) . . ?
C7 C1 Y5 89(2) . . ?
C81 C1 Y5 57.0(14) 6_565 . ?
C62 C1 Y5 80.6(14) 6_565 . ?
Y1 C1 Y5 6.5(5) . . ?
C80 C1 Y2 53(4) 6_565 . ?
C79 C1 Y2 83(3) 6_565 . ?
C2 C1 Y2 92(2) . . ?
C5 C1 Y2 93.8(17) . . ?
C7 C1 Y2 59.5(18) . . ?
C81 C1 Y2 72.1(16) 6_565 . ?
C62 C1 Y2 48.9(11) 6_565 . ?
Y1 C1 Y2 29.0(6) . . ?
Y5 C1 Y2 35.4(5) . . ?
C82 C2 C81 98(4) 6_565 6_565 ?
C82 C2 C1 166(5) 6_565 . ?
C81 C2 C1 82(2) 6_565 . ?
C82 C2 C86 73(3) 6_565 6_565 ?
C81 C2 C86 151(4) 6_565 6_565 ?
C1 C2 C86 100.0(19) . 6_565 ?
C82 C2 C3 67(3) 6_565 . ?
C81 C2 C3 154(4) 6_565 . ?
C1 C2 C3 106.9(13) . . ?
C86 C2 C3 9(3) 6_565 . ?
C82 C2 C10 54(3) 6_565 . ?
C81 C2 C10 43.7(19) 6_565 . ?
C1 C2 C10 125(2) . . ?
C86 C2 C10 122(2) 6_565 . ?
C3 C2 C10 119(2) . . ?
C82 C2 C80 151(4) 6_565 6_565 ?
C81 C2 C80 57.8(18) 6_565 6_565 ?
C1 C2 C80 24.7(15) . 6_565 ?
C86 C2 C80 120(3) 6_565 6_565 ?
C3 C2 C80 128.1(17) . 6_565 ?
C10 C2 C80 100.7(19) . 6_565 ?
C82 C2 Y1 89(4) 6_565 . ?
C81 C2 Y1 68(2) 6_565 . ?
C1 C2 Y1 77.9(19) . . ?
C86 C2 Y1 84(3) 6_565 . ?
C3 C2 Y1 91(2) . . ?
C10 C2 Y1 73.1(15) . . ?
C80 C2 Y1 68.8(13) 6_565 . ?
C82 C2 Y5 81(4) 6_565 . ?
C81 C2 Y5 73(3) 6_565 . ?
C1 C2 Y5 85.3(19) . . ?
C86 C2 Y5 78(3) 6_565 . ?
C3 C2 Y5 84.0(19) . . ?
C10 C2 Y5 71.6(15) . . ?
C80 C2 Y5 77.4(14) 6_565 . ?
Y1 C2 Y5 8.7(5) . . ?
C82 C2 Y9 73(4) 6_565 . ?
C81 C2 Y9 60(2) 6_565 . ?
C1 C2 Y9 95(2) . . ?
C86 C2 Y9 91(3) 6_565 . ?
C3 C2 Y9 95(2) . . ?
C10 C2 Y9 53.8(14) . . ?
C80 C2 Y9 81.1(17) 6_565 . ?
Y1 C2 Y9 20.2(9) . . ?
Y5 C2 Y9 17.9(9) . . ?
C86 C3 C13 106(10) 6_565 . ?
C86 C3 C82 105(10) 6_565 6_565 ?
C13 C3 C82 89(2) . 6_565 ?
C86 C3 C88 100(10) 6_565 6_565 ?
C13 C3 C88 24.4(17) . 6_565 ?
C82 C3 C88 114(3) 6_565 6_565 ?
C86 C3 C4 40(10) 6_565 . ?
C13 C3 C4 117(3) . . ?
C82 C3 C4 138(2) 6_565 . ?
C88 C3 C4 97(2) 6_565 . ?
C86 C3 C2 83(10) 6_565 . ?
C13 C3 C2 120(2) . . ?
C82 C3 C2 33.2(16) 6_565 . ?
C88 C3 C2 144(3) 6_565 . ?
C4 C3 C2 107.1(12) . . ?
C86 C3 C87 38(10) 6_565 6_565 ?
C13 C3 C87 129(3) . 6_565 ?
C82 C3 C87 128(3) 6_565 6_565 ?
C88 C3 C87 109(3) 6_565 6_565 ?
C4 C3 C87 12.4(15) . 6_565 ?
C2 C3 C87 95(2) . 6_565 ?
C86 C3 Y5 50(10) 6_565 . ?
C13 C3 Y5 81(2) . . ?
C82 C3 Y5 62(2) 6_565 . ?
C88 C3 Y5 94(3) 6_565 . ?
C4 C3 Y5 89(2) . . ?
C2 C3 Y5 60.9(17) . . ?
C87 C3 Y5 87(3) 6_565 . ?
C86 C3 Y1 47(10) 6_565 . ?
C13 C3 Y1 88(2) . . ?
C82 C3 Y1 61.4(19) 6_565 . ?
C88 C3 Y1 100(3) 6_565 . ?
C4 C3 Y1 86.6(18) . . ?
C2 C3 Y1 56.0(16) . . ?
C87 C3 Y1 83(3) 6_565 . ?
Y5 C3 Y1 6.9(4) . . ?
C87 C4 C86 111(7) 6_565 6_565 ?
C87 C4 C16 129(7) 6_565 . ?
C86 C4 C16 117(3) 6_565 . ?
C87 C4 C90 92(6) 6_565 6_565 ?
C86 C4 C90 144(4) 6_565 6_565 ?
C16 C4 C90 37.6(14) . 6_565 ?
C87 C4 C5 16(10) 6_565 . ?
C86 C4 C5 107(2) 6_565 . ?
C16 C4 C5 125.1(18) . . ?
C90 C4 C5 87.7(17) 6_565 . ?
C87 C4 C3 112(6) 6_565 . ?
C86 C4 C3 6(4) 6_565 . ?
C16 C4 C3 117(2) . . ?
C90 C4 C3 148(3) 6_565 . ?
C5 C4 C3 110.1(12) . . ?
C87 C4 C79 25(10) 6_565 6_565 ?
C86 C4 C79 94(2) 6_565 6_565 ?
C16 C4 C79 133.0(19) . 6_565 ?
C90 C4 C79 97.0(17) 6_565 6_565 ?
C5 C4 C79 13.1(11) . 6_565 ?
C3 C4 C79 97.5(13) . 6_565 ?
C87 C4 Y5 92(10) 6_565 . ?
C86 C4 Y5 55(3) 6_565 . ?
C16 C4 Y5 102(2) . . ?
C90 C4 Y5 99(2) 6_565 . ?
C5 C4 Y5 77.2(13) . . ?
C3 C4 Y5 60.9(17) . . ?
C79 C4 Y5 66.6(11) 6_565 . ?
C87 C4 Y1 85(10) 6_565 . ?
C86 C4 Y1 58(3) 6_565 . ?
C16 C4 Y1 106(2) . . ?
C90 C4 Y1 99(2) 6_565 . ?
C5 C4 Y1 70.7(13) . . ?
C3 C4 Y1 64.2(16) . . ?
C79 C4 Y1 60.1(10) 6_565 . ?
Y5 C4 Y1 6.5(3) . . ?
C79 C5 C87 142(4) 6_565 6_565 ?
C79 C5 C6 88(3) 6_565 . ?
C87 C5 C6 122(3) 6_565 . ?
C79 C5 C4 140(3) 6_565 . ?
C87 C5 C4 6(4) 6_565 . ?
C6 C5 C4 120.4(18) . . ?
C79 C5 C1 35(3) 6_565 . ?
C87 C5 C1 108(2) 6_565 . ?
C6 C5 C1 123.0(19) . . ?
C4 C5 C1 106.8(12) . . ?
C79 C5 C78 51(3) 6_565 6_565 ?
C87 C5 C78 155(3) 6_565 6_565 ?
C6 C5 C78 37.7(14) . 6_565 ?
C4 C5 C78 151(2) . 6_565 ?
C1 C5 C78 85.9(15) . 6_565 ?
C79 C5 C90 150(4) 6_565 6_565 ?
C87 C5 C90 46.7(19) 6_565 6_565 ?
C6 C5 C90 75.7(15) . 6_565 ?
C4 C5 C90 44.8(12) . 6_565 ?
C1 C5 C90 143.2(16) . 6_565 ?
C78 C5 C90 110.7(16) 6_565 6_565 ?
C79 C5 C80 27(3) 6_565 6_565 ?
C87 C5 C80 115(3) 6_565 6_565 ?
C6 C5 C80 112.0(16) . 6_565 ?
C4 C5 C80 112.9(14) . 6_565 ?
C1 C5 C80 11.8(16) . 6_565 ?
C78 C5 C80 75.8(12) 6_565 6_565 ?
C90 C5 C80 141.5(15) 6_565 6_565 ?
C79 C5 Y1 66(3) 6_565 . ?
C87 C5 Y1 86(3) 6_565 . ?
C6 C5 Y1 99.0(13) . . ?
C4 C5 Y1 80.8(14) . . ?
C1 C5 Y1 57.2(15) . . ?
C78 C5 Y1 84.8(11) 6_565 . ?
C90 C5 Y1 90.8(11) 6_565 . ?
C80 C5 Y1 51.2(8) 6_565 . ?
C79 C5 Y5 72(3) 6_565 . ?
C87 C5 Y5 80(3) 6_565 . ?
C6 C5 Y5 101.7(13) . . ?
C4 C5 Y5 74.5(14) . . ?
C1 C5 Y5 60.5(14) . . ?
C78 C5 Y5 90.4(11) 6_565 . ?
C90 C5 Y5 86.0(11) 6_565 . ?
C80 C5 Y5 55.6(8) 6_565 . ?
Y1 C5 Y5 6.3(4) . . ?
C78 C6 C77 82(3) 6_565 6_565 ?
C78 C6 C5 93(2) 6_565 . ?
C77 C6 C5 161(2) 6_565 . ?
C78 C6 C92 152(3) 6_565 . ?
C77 C6 C92 71(2) 6_565 . ?
C5 C6 C92 112.2(18) . . ?
C78 C6 C79 65(2) 6_565 6_565 ?
C77 C6 C79 142(3) 6_565 6_565 ?
C5 C6 C79 28.0(14) . 6_565 ?
C92 C6 C79 139(2) . 6_565 ?
C78 C6 C76 143(3) 6_565 6_565 ?
C77 C6 C76 65.6(18) 6_565 6_565 ?
C5 C6 C76 112.2(19) . 6_565 ?
C92 C6 C76 14.7(17) . 6_565 ?
C79 C6 C76 135(2) 6_565 6_565 ?
C78 C6 C19 25.8(19) 6_565 . ?
C77 C6 C19 56.3(19) 6_565 . ?
C5 C6 C19 116(2) . . ?
C92 C6 C19 127(2) . . ?
C79 C6 C19 88.3(19) 6_565 . ?
C76 C6 C19 118(2) 6_565 . ?
C62 C7 C80 135(8) 6_565 6_565 ?
C62 C7 C8 63(4) 6_565 . ?
C80 C7 C8 101(4) 6_565 . ?
C62 C7 C20 45(4) 6_565 . ?
C80 C7 C20 117(4) 6_565 . ?
C8 C7 C20 106.3(15) . . ?
C62 C7 C1 138(7) 6_565 . ?
C80 C7 C1 17(2) 6_565 . ?
C8 C7 C1 118(3) . . ?
C20 C7 C1 107(3) . . ?
C62 C7 C61 53(4) 6_565 6_565 ?
C80 C7 C61 115(4) 6_565 6_565 ?
C8 C7 C61 114.8(19) . 6_565 ?
C20 C7 C61 8.7(19) . 6_565 ?
C1 C7 C61 103(3) . 6_565 ?
C62 C7 C63 35(3) 6_565 6_565 ?
C80 C7 C63 126(3) 6_565 6_565 ?
C8 C7 C63 29.4(12) . 6_565 ?
C20 C7 C63 80.1(13) . 6_565 ?
C1 C7 C63 140(3) . 6_565 ?
C61 C7 C63 88.1(17) 6_565 6_565 ?
C62 C7 C79 118(6) 6_565 6_565 ?
C80 C7 C79 43(2) 6_565 6_565 ?
C8 C7 C79 134(3) . 6_565 ?
C20 C7 C79 79(2) . 6_565 ?
C1 C7 C79 28.6(16) . 6_565 ?
C61 C7 C79 74.7(19) 6_565 6_565 ?
C63 C7 C79 141(2) 6_565 6_565 ?
C62 C7 C81 120(5) 6_565 6_565 ?
C80 C7 C81 38(2) 6_565 6_565 ?
C8 C7 C81 65(2) . 6_565 ?
C20 C7 C81 138(3) . 6_565 ?
C1 C7 C81 54.7(17) . 6_565 ?
C61 C7 C81 142(3) 6_565 6_565 ?
C63 C7 C81 93.5(19) 6_565 6_565 ?
C79 C7 C81 80.3(18) 6_565 6_565 ?
C62 C7 Y2 52(5) 6_565 . ?
C80 C7 Y2 83(3) 6_565 . ?
C8 C7 Y2 62.9(17) . . ?
C20 C7 Y2 62.6(19) . . ?
C1 C7 Y2 89(2) . . ?
C61 C7 Y2 69.7(17) 6_565 . ?
C63 C7 Y2 59.1(12) 6_565 . ?
C79 C7 Y2 81.7(16) 6_565 . ?
C81 C7 Y2 78.5(15) 6_565 . ?
C62 C7 Y1 83(5) 6_565 . ?
C80 C7 Y1 53(3) 6_565 . ?
C8 C7 Y1 67(2) . . ?
C20 C7 Y1 88(2) . . ?
C1 C7 Y1 62(2) . . ?
C61 C7 Y1 93(2) 6_565 . ?
C63 C7 Y1 79.4(14) 6_565 . ?
C79 C7 Y1 66.9(15) 6_565 . ?
C81 C7 Y1 49.9(12) 6_565 . ?
Y2 C7 Y1 31.8(6) . . ?
C62 C7 Y8 45(5) 6_565 . ?
C80 C7 Y8 91(3) 6_565 . ?
C8 C7 Y8 72.1(16) . . ?
C20 C7 Y8 48.7(18) . . ?
C1 C7 Y8 94(2) . . ?
C61 C7 Y8 55.8(16) 6_565 . ?
C63 C7 Y8 61.5(12) 6_565 . ?
C79 C7 Y8 79.8(16) 6_565 . ?
C81 C7 Y8 91.8(16) 6_565 . ?
Y2 C7 Y8 13.9(3) . . ?
Y1 C7 Y8 43.2(7) . . ?
C63 C8 C65 79(3) 6_565 6_565 ?
C63 C8 C62 80(2) 6_565 6_565 ?
C65 C8 C62 156(3) 6_565 6_565 ?
C63 C8 C22 10(3) 6_565 . ?
C65 C8 C22 75(2) 6_565 . ?
C62 C8 C22 81.7(17) 6_565 . ?
C63 C8 C7 105(2) 6_565 . ?
C65 C8 C7 174(3) 6_565 . ?
C62 C8 C7 26.1(16) 6_565 . ?
C22 C8 C7 107.7(14) . . ?
C63 C8 C9 126(3) 6_565 . ?
C65 C8 C9 47.7(17) 6_565 . ?
C62 C8 C9 149(3) 6_565 . ?
C22 C8 C9 120(3) . . ?
C7 C8 C9 128(3) . . ?
C63 C8 C66 135(3) 6_565 6_565 ?
C65 C8 C66 56.3(15) 6_565 6_565 ?
C62 C8 C66 142(3) 6_565 6_565 ?
C22 C8 C66 129(3) . 6_565 ?
C7 C8 C66 119(2) . 6_565 ?
C9 C8 C66 8.8(13) . 6_565 ?
C63 C8 C80 131(3) 6_565 6_565 ?
C65 C8 C80 144(2) 6_565 6_565 ?
C62 C8 C80 52.3(16) 6_565 6_565 ?
C22 C8 C80 129.5(19) . 6_565 ?
C7 C8 C80 30.7(19) . 6_565 ?
C9 C8 C80 97.9(19) . 6_565 ?
C66 C8 C80 90.1(16) 6_565 6_565 ?
C63 C8 C81 165(3) 6_565 6_565 ?
C65 C8 C81 101(2) 6_565 6_565 ?
C62 C8 C81 96(2) 6_565 6_565 ?
C22 C8 C81 155(3) . 6_565 ?
C7 C8 C81 74(2) . 6_565 ?
C9 C8 C81 53.9(15) . 6_565 ?
C66 C8 C81 45.9(10) 6_565 6_565 ?
C80 C8 C81 44.2(10) 6_565 6_565 ?
C63 C8 Y2 77(2) 6_565 . ?
C65 C8 Y2 92(2) 6_565 . ?
C62 C8 Y2 71.9(17) 6_565 . ?
C22 C8 Y2 67.6(19) . . ?
C7 C8 Y2 84.4(19) . . ?
C9 C8 Y2 95.3(18) . . ?
C66 C8 Y2 98(2) 6_565 . ?
C80 C8 Y2 78.1(13) 6_565 . ?
C81 C8 Y2 88.0(14) 6_565 . ?
C63 C8 Y1 111(3) 6_565 . ?
C65 C8 Y1 92(2) 6_565 . ?
C62 C8 Y1 84.6(19) 6_565 . ?
C22 C8 Y1 101(2) . . ?
C7 C8 Y1 82(2) . . ?
C9 C8 Y1 70.4(15) . . ?
C66 C8 Y1 69.4(17) 6_565 . ?
C80 C8 Y1 60.1(11) 6_565 . ?
C81 C8 Y1 54.0(11) 6_565 . ?
Y2 C8 Y1 34.6(5) . . ?
C63 C8 Y5 113(3) 6_565 . ?
C65 C8 Y5 90(2) 6_565 . ?
C62 C8 Y5 88.3(19) 6_565 . ?
C22 C8 Y5 104(2) . . ?
C7 C8 Y5 84(2) . . ?
C9 C8 Y5 66.4(15) . . ?
C66 C8 Y5 65.3(17) 6_565 . ?
C80 C8 Y5 61.1(11) 6_565 . ?
C81 C8 Y5 51.5(11) 6_565 . ?
Y2 C8 Y5 37.9(5) . . ?
Y1 C8 Y5 4.1(4) . . ?
C66 C9 C65 168(10) 6_565 6_565 ?
C66 C9 C8 125(7) 6_565 . ?
C65 C9 C8 55(2) 6_565 . ?
C66 C9 C23 126(7) 6_565 . ?
C65 C9 C23 57.2(16) 6_565 . ?
C8 C9 C23 108(2) . . ?
C66 C9 C10 24(10) 6_565 . ?
C65 C9 C10 167(3) 6_565 . ?
C8 C9 C10 120(2) . . ?
C23 C9 C10 121(2) . . ?
C66 C9 C67 65(6) 6_565 6_565 ?
C65 C9 C67 119(3) 6_565 6_565 ?
C8 C9 C67 161(3) . 6_565 ?
C23 C9 C67 61.5(16) . 6_565 ?
C10 C9 C67 62.4(17) . 6_565 ?
C66 C9 C81 52(8) 6_565 6_565 ?
C65 C9 C81 132(3) 6_565 6_565 ?
C8 C9 C81 77.6(19) . 6_565 ?
C23 C9 C81 151(2) . 6_565 ?
C10 C9 C81 42.4(15) . 6_565 ?
C67 C9 C81 103.9(17) 6_565 6_565 ?
C66 C9 C64 140(7) 6_565 6_565 ?
C65 C9 C64 41.9(14) 6_565 6_565 ?
C8 C9 C64 94.8(18) . 6_565 ?
C23 C9 C64 15.6(10) . 6_565 ?
C10 C9 C64 137(2) . 6_565 ?
C67 C9 C64 76.7(14) 6_565 6_565 ?
C81 C9 C64 158(2) 6_565 6_565 ?
C66 C9 Y9 99(10) 6_565 . ?
C65 C9 Y9 93(2) 6_565 . ?
C8 C9 Y9 94(2) . . ?
C23 C9 Y9 69(2) . . ?
C10 C9 Y9 75.0(17) . . ?
C67 C9 Y9 68(2) 6_565 . ?
C81 C9 Y9 82(2) 6_565 . ?
C64 C9 Y9 77(2) 6_565 . ?
C66 C9 Y1 92(10) 6_565 . ?
C65 C9 Y1 99(2) 6_565 . ?
C8 C9 Y1 75.3(16) . . ?
C23 C9 Y1 95.9(15) . . ?
C10 C9 Y1 68.1(13) . . ?
C67 C9 Y1 89.6(17) 6_565 . ?
C81 C9 Y1 57.4(14) 6_565 . ?
C64 C9 Y1 100.3(16) 6_565 . ?
Y9 C9 Y1 28.7(16) . . ?
C66 C9 Y5 87(10) 6_565 . ?
C65 C9 Y5 104(2) 6_565 . ?
C8 C9 Y5 82.4(17) . . ?
C23 C9 Y5 94.4(15) . . ?
C10 C9 Y5 63.0(12) . . ?
C67 C9 Y5 82.8(17) 6_565 . ?
C81 C9 Y5 57.7(14) 6_565 . ?
C64 C9 Y5 100.6(15) 6_565 . ?
Y9 C9 Y5 25.3(16) . . ?
Y1 C9 Y5 7.1(4) . . ?
C66 C9 Y2 122(10) 6_565 . ?
C65 C9 Y2 68.6(19) 6_565 . ?
C8 C9 Y2 53.6(14) . . ?
C23 C9 Y2 83.6(14) . . ?
C10 C9 Y2 98.6(15) . . ?
C67 C9 Y2 108(2) 6_565 . ?
C81 C9 Y2 77.6(15) 6_565 . ?
C64 C9 Y2 80.9(13) 6_565 . ?
Y9 C9 Y2 40.9(14) . . ?
Y1 C9 Y2 30.8(5) . . ?
Y5 C9 Y2 36.8(5) . . ?
C81 C10 C11 151(3) 6_565 . ?
C81 C10 C66 74(2) 6_565 6_565 ?
C11 C10 C66 127(3) . 6_565 ?
C81 C10 C82 71(2) 6_565 6_565 ?
C11 C10 C82 83(2) . 6_565 ?
C66 C10 C82 144(3) 6_565 6_565 ?
C81 C10 C9 73(2) 6_565 . ?
C11 C10 C9 126(3) . . ?
C66 C10 C9 6(3) 6_565 . ?
C82 C10 C9 141(3) 6_565 . ?
C81 C10 C67 131(2) 6_565 6_565 ?
C11 C10 C67 67(2) . 6_565 ?
C66 C10 C67 59.9(17) 6_565 6_565 ?
C82 C10 C67 146(3) 6_565 6_565 ?
C9 C10 C67 59.6(17) . 6_565 ?
C81 C10 C2 40.4(19) 6_565 . ?
C11 C10 C2 114(2) . . ?
C66 C10 C2 114(2) 6_565 . ?
C82 C10 C2 31.0(15) 6_565 . ?
C9 C10 C2 112(2) . . ?
C67 C10 C2 158(2) 6_565 . ?
C81 C10 C83 125(3) 6_565 6_565 ?
C11 C10 C83 28.3(15) . 6_565 ?
C66 C10 C83 152(3) 6_565 6_565 ?
C82 C10 C83 55.0(13) 6_565 6_565 ?
C9 C10 C83 149(2) . 6_565 ?
C67 C10 C83 94.5(19) 6_565 6_565 ?
C2 C10 C83 85.5(17) . 6_565 ?
C81 C10 C68 160(3) 6_565 6_565 ?
C11 C10 C68 20.0(16) . 6_565 ?
C66 C10 C68 107(2) 6_565 6_565 ?
C82 C10 C68 102.5(19) 6_565 6_565 ?
C9 C10 C68 106(2) . 6_565 ?
C67 C10 C68 47.4(12) 6_565 6_565 ?
C2 C10 C68 132(2) . 6_565 ?
C83 C10 C68 47.7(11) 6_565 6_565 ?
C81 C10 Y5 69.2(19) 6_565 . ?
C11 C10 Y5 90.4(17) . . ?
C66 C10 Y5 88(2) 6_565 . ?
C82 C10 Y5 71.9(19) 6_565 . ?
C9 C10 Y5 81.9(13) . . ?
C67 C10 Y5 91.2(17) 6_565 . ?
C2 C10 Y5 67.4(15) . . ?
C83 C10 Y5 81.2(15) 6_565 . ?
C68 C10 Y5 90.6(17) 6_565 . ?
C81 C10 Y1 62.4(19) 6_565 . ?
C11 C10 Y1 98.5(17) . . ?
C66 C10 Y1 81(2) 6_565 . ?
C82 C10 Y1 75.1(19) 6_565 . ?
C9 C10 Y1 75.5(13) . . ?
C67 C10 Y1 92.4(16) 6_565 . ?
C2 C10 Y1 66.0(15) . . ?
C83 C10 Y1 89.4(16) 6_565 . ?
C68 C10 Y1 97.5(17) 6_565 . ?
Y5 C10 Y1 8.3(5) . . ?
C81 C10 Y9 88(2) 6_565 . ?
C11 C10 Y9 81(2) . . ?
C66 C10 Y9 74(2) 6_565 . ?
C82 C10 Y9 96(2) 6_565 . ?
C9 C10 Y9 68.5(15) . . ?
C67 C10 Y9 64(2) 6_565 . ?
C2 C10 Y9 94(2) . . ?
C83 C10 Y9 85.0(19) 6_565 . ?
C68 C10 Y9 74(2) 6_565 . ?
Y5 C10 Y9 26.7(14) . . ?
Y1 C10 Y9 28.8(15) . . ?
C68 C11 C83 112(3) 6_565 6_565 ?
C68 C11 C10 132(3) 6_565 . ?
C83 C11 C10 114(3) 6_565 . ?
C68 C11 C25 17(2) 6_565 . ?
C83 C11 C25 127(2) 6_565 . ?
C10 C11 C25 116(2) . . ?
C68 C11 C12 92(2) 6_565 . ?
C83 C11 C12 20(2) 6_565 . ?
C10 C11 C12 131(2) . . ?
C25 C11 C12 107.4(11) . . ?
C68 C11 C67 63(2) 6_565 6_565 ?
C83 C11 C67 163(4) 6_565 6_565 ?
C10 C11 C67 69(2) . 6_565 ?
C25 C11 C67 46.2(14) . 6_565 ?
C12 C11 C67 147(2) . 6_565 ?
C68 C11 C82 166(4) 6_565 6_565 ?
C83 C11 C82 61(2) 6_565 6_565 ?
C10 C11 C82 53(2) . 6_565 ?
C25 C11 C82 161(2) . 6_565 ?
C12 C11 C82 79.1(14) . 6_565 ?
C67 C11 C82 119.8(18) 6_565 6_565 ?
C68 C11 Y9 85(4) 6_565 . ?
C83 C11 Y9 102(3) 6_565 . ?
C10 C11 Y9 72(2) . . ?
C25 C11 Y9 76.7(18) . . ?
C12 C11 Y9 96.4(14) . . ?
C67 C11 Y9 61.9(17) 6_565 . ?
C82 C11 Y9 85(2) 6_565 . ?
C68 C11 Y5 108(4) 6_565 . ?
C83 C11 Y5 85(3) 6_565 . ?
C10 C11 Y5 63.5(15) . . ?
C25 C11 Y5 101.3(12) . . ?
C12 C11 Y5 86.0(12) . . ?
C67 C11 Y5 81.9(14) 6_565 . ?
C82 C11 Y5 60.4(15) 6_565 . ?
Y9 C11 Y5 24.9(14) . . ?
C68 C11 Y1 110(4) 6_565 . ?
C83 C11 Y1 89(3) 6_565 . ?
C10 C11 Y1 57.3(14) . . ?
C25 C11 Y1 102.1(12) . . ?
C12 C11 Y1 91.8(13) . . ?
C67 C11 Y1 78.3(14) 6_565 . ?
C82 C11 Y1 59.0(14) 6_565 . ?
Y9 C11 Y1 25.6(15) . . ?
Y5 C11 Y1 6.4(5) . . ?
C83 C12 C85 138(5) 6_565 6_565 ?
C83 C12 C13 98(3) 6_565 . ?
C85 C12 C13 41(2) 6_565 . ?
C83 C12 C27 131(3) 6_565 . ?
C85 C12 C27 84(3) 6_565 . ?
C13 C12 C27 123.1(17) . . ?
C83 C12 C11 24(3) 6_565 . ?
C85 C12 C11 150(4) 6_565 . ?
C13 C12 C11 115.8(18) . . ?
C27 C12 C11 107.8(11) . . ?
C83 C12 C68 52(2) 6_565 6_565 ?
C85 C12 C68 151(4) 6_565 6_565 ?
C13 C12 C68 139(2) . 6_565 ?
C27 C12 C68 79.6(13) . 6_565 ?
C11 C12 C68 28.5(12) . 6_565 ?
C83 C12 C84 156(4) 6_565 6_565 ?
C85 C12 C84 49(2) 6_565 6_565 ?
C13 C12 C84 87.6(17) . 6_565 ?
C27 C12 C84 35.7(12) . 6_565 ?
C11 C12 C84 135.1(17) . 6_565 ?
C68 C12 C84 110.4(18) 6_565 6_565 ?
C83 C12 C82 33(2) 6_565 6_565 ?
C85 C12 C82 106(3) 6_565 6_565 ?
C13 C12 C82 65.1(14) . 6_565 ?
C27 C12 C82 154.4(16) . 6_565 ?
C11 C12 C82 53.0(12) . 6_565 ?
C68 C12 C82 81.0(13) 6_565 6_565 ?
C84 C12 C82 144(2) 6_565 6_565 ?
C83 C12 C88 103(3) 6_565 6_565 ?
C85 C12 C88 35.6(19) 6_565 6_565 ?
C13 C12 C88 6.4(15) . 6_565 ?
C27 C12 C88 119.1(15) . 6_565 ?
C11 C12 C88 122.1(16) . 6_565 ?
C68 C12 C88 145.3(19) 6_565 6_565 ?
C84 C12 C88 83.3(15) 6_565 6_565 ?
C82 C12 C88 70.9(11) 6_565 6_565 ?
C83 C12 Y5 63(4) 6_565 . ?
C85 C12 Y5 88(4) 6_565 . ?
C13 C12 Y5 67.0(15) . . ?
C27 C12 Y5 106.7(12) . . ?
C11 C12 Y5 62.8(11) . . ?
C68 C12 Y5 74.2(14) 6_565 . ?
C84 C12 Y5 97.7(16) 6_565 . ?
C82 C12 Y5 51.4(12) 6_565 . ?
C88 C12 Y5 72.4(13) 6_565 . ?
C83 C12 Y9 64(4) 6_565 . ?
C85 C12 Y9 99(4) 6_565 . ?
C13 C12 Y9 86.9(18) . . ?
C27 C12 Y9 90.6(16) . . ?
C11 C12 Y9 54.4(11) . . ?
C68 C12 Y9 57.1(16) 6_565 . ?
C84 C12 Y9 92.4(17) 6_565 . ?
C82 C12 Y9 64.7(16) 6_565 . ?
C88 C12 Y9 91.8(17) 6_565 . ?
Y5 C12 Y9 21.0(12) . . ?
C88 C13 C85 129(5) 6_565 6_565 ?
C88 C13 C3 83(4) 6_565 . ?
C85 C13 C3 147(3) 6_565 . ?
C88 C13 C86 81(4) 6_565 6_565 ?
C85 C13 C86 149(3) 6_565 6_565 ?
C3 C13 C86 9(3) . 6_565 ?
C88 C13 C14 47(4) 6_565 . ?
C85 C13 C14 86(2) 6_565 . ?
C3 C13 C14 127(2) . . ?
C86 C13 C14 123(2) 6_565 . ?
C88 C13 C12 157(5) 6_565 . ?
C85 C13 C12 30.2(18) 6_565 . ?
C3 C13 C12 117(2) . . ?
C86 C13 C12 120(2) 6_565 . ?
C14 C13 C12 115.8(18) . . ?
C88 C13 C83 170(7) 6_565 6_565 ?
C85 C13 C83 55.4(16) 6_565 6_565 ?
C3 C13 C83 91.6(19) . 6_565 ?
C86 C13 C83 94.6(18) 6_565 6_565 ?
C14 C13 C83 141(2) . 6_565 ?
C12 C13 C83 25.4(12) . 6_565 ?
C88 C13 C89 39(6) 6_565 6_565 ?
C85 C13 C89 106(3) 6_565 6_565 ?
C3 C13 C89 104(2) . 6_565 ?
C86 C13 C89 98(2) 6_565 6_565 ?
C14 C13 C89 28.0(16) . 6_565 ?
C12 C13 C89 134(2) . 6_565 ?
C83 C13 C89 151(3) 6_565 6_565 ?
C88 C13 C82 129(5) 6_565 6_565 ?
C85 C13 C82 101(2) 6_565 6_565 ?
C3 C13 C82 46.3(16) . 6_565 ?
C86 C13 C82 49.1(11) 6_565 6_565 ?
C14 C13 C82 168(3) . 6_565 ?
C12 C13 C82 70.9(14) . 6_565 ?
C83 C13 C82 45.5(9) 6_565 6_565 ?
C89 C13 C82 140(2) 6_565 6_565 ?
C88 C13 Y5 116(6) 6_565 . ?
C85 C13 Y5 96(3) 6_565 . ?
C3 C13 Y5 69.9(19) . . ?
C86 C13 Y5 64(3) 6_565 . ?
C14 C13 Y5 113(2) . . ?
C12 C13 Y5 82.8(15) . . ?
C83 C13 Y5 69.7(16) 6_565 . ?
C89 C13 Y5 92.4(18) 6_565 . ?
C82 C13 Y5 56.2(13) 6_565 . ?
C88 C13 Y1 115(6) 6_565 . ?
C85 C13 Y1 99(3) 6_565 . ?
C3 C13 Y1 65.5(18) . . ?
C86 C13 Y1 59(3) 6_565 . ?
C14 C13 Y1 116(2) . . ?
C12 C13 Y1 84.7(14) . . ?
C83 C13 Y1 70.0(15) 6_565 . ?
C89 C13 Y1 93.9(18) 6_565 . ?
C82 C13 Y1 53.0(13) 6_565 . ?
Y5 C13 Y1 4.4(4) . . ?
C89 C14 C88 91(3) 6_565 6_565 ?
C89 C14 C13 102(3) 6_565 . ?
C88 C14 C13 22(2) 6_565 . ?
C89 C14 C15 28(3) 6_565 . ?
C88 C14 C15 97(2) 6_565 . ?
C13 C14 C15 116(2) . . ?
C89 C14 C29 106(3) 6_565 . ?
C88 C14 C29 146(3) 6_565 . ?
C13 C14 C29 123.5(19) . . ?
C15 C14 C29 111.8(12) . . ?
C89 C14 C72 64(2) 6_565 6_565 ?
C88 C14 C72 149(3) 6_565 6_565 ?
C13 C14 C72 141(3) . 6_565 ?
C15 C14 C72 70.2(14) . 6_565 ?
C29 C14 C72 43.1(14) . 6_565 ?
C89 C14 C85 128(4) 6_565 6_565 ?
C88 C14 C85 58.2(17) 6_565 6_565 ?
C13 C14 C85 36.8(13) . 6_565 ?
C15 C14 C85 151(2) . 6_565 ?
C29 C14 C85 88.2(17) . 6_565 ?
C72 C14 C85 121(2) 6_565 6_565 ?
C89 C14 Y4 59(3) 6_565 . ?
C88 C14 Y4 112(3) 6_565 . ?
C13 C14 Y4 101.9(19) . . ?
C15 C14 Y4 81.8(12) . . ?
C29 C14 Y4 57.6(16) . . ?
C72 C14 Y4 39.5(16) 6_565 . ?
C85 C14 Y4 92.5(17) 6_565 . ?
C89 C14 Y6 32(3) 6_565 . ?
C88 C14 Y6 96(3) 6_565 . ?
C13 C14 Y6 96(2) . . ?
C15 C14 Y6 59.0(11) . . ?
C29 C14 Y6 84.6(18) . . ?
C72 C14 Y6 52.9(15) 6_565 . ?
C85 C14 Y6 104.4(18) 6_565 . ?
Y4 C14 Y6 28.8(5) . . ?
C89 C15 C91 106(3) 6_565 6_565 ?
C89 C15 C14 32(3) 6_565 . ?
C91 C15 C14 136(3) 6_565 . ?
C89 C15 C31 103(3) 6_565 . ?
C91 C15 C31 94(3) 6_565 . ?
C14 C15 C31 106.0(12) . . ?
C89 C15 C16 96(3) 6_565 . ?
C91 C15 C16 36.7(18) 6_565 . ?
C14 C15 C16 113(2) . . ?
C31 C15 C16 131(2) . . ?
C89 C15 C72 56(2) 6_565 6_565 ?
C91 C15 C72 116(3) 6_565 6_565 ?
C14 C15 C72 60.0(13) . 6_565 ?
C31 C15 C72 48.8(14) . 6_565 ?
C16 C15 C72 138(2) . 6_565 ?
C89 C15 C88 41(3) 6_565 6_565 ?
C91 C15 C88 111(2) 6_565 6_565 ?
C14 C15 C88 34.8(15) . 6_565 ?
C31 C15 C88 139.6(18) . 6_565 ?
C16 C15 C88 80.0(17) . 6_565 ?
C72 C15 C88 91.1(17) 6_565 6_565 ?
C89 C15 C74 111(3) 6_565 6_565 ?
C91 C15 C74 49.2(15) 6_565 6_565 ?
C14 C15 C74 135.7(17) . 6_565 ?
C31 C15 C74 44.8(15) . 6_565 ?
C16 C15 C74 85.9(16) . 6_565 ?
C72 C15 C74 78.7(15) 6_565 6_565 ?
C88 C15 C74 145.8(19) 6_565 6_565 ?
C89 C15 Y6 59(3) 6_565 . ?
C91 C15 Y6 58(2) 6_565 . ?
C14 C15 Y6 89.3(14) . . ?
C31 C15 Y6 75.4(16) . . ?
C16 C15 Y6 76.6(14) . . ?
C72 C15 Y6 62.2(16) 6_565 . ?
C88 C15 Y6 91.0(15) 6_565 . ?
C74 C15 Y6 55.3(12) 6_565 . ?
C89 C15 Y4 43(3) 6_565 . ?
C91 C15 Y4 86(2) 6_565 . ?
C14 C15 Y4 67.7(12) . . ?
C31 C15 Y4 66.6(12) . . ?
C16 C15 Y4 102.1(13) . . ?
C72 C15 Y4 35.7(14) 6_565 . ?
C88 C15 Y4 83.3(15) 6_565 . ?
C74 C15 Y4 69.4(12) 6_565 . ?
Y6 C15 Y4 28.4(6) . . ?
C89 C15 Y7 65(3) 6_565 . ?
C91 C15 Y7 69(2) 6_565 . ?
C14 C15 Y7 90.4(13) . . ?
C31 C15 Y7 55.8(13) . . ?
C16 C15 Y7 94.7(14) . . ?
C72 C15 Y7 47.0(14) 6_565 . ?
C88 C15 Y7 103.1(16) 6_565 . ?
C74 C15 Y7 47.0(11) 6_565 . ?
Y6 C15 Y7 20.3(7) . . ?
Y4 C15 Y7 22.7(4) . . ?
C90 C16 C91 112(4) 6_565 6_565 ?
C90 C16 C4 73(3) 6_565 . ?
C91 C16 C4 156(4) 6_565 . ?
C90 C16 C17 39(2) 6_565 . ?
C91 C16 C17 81(3) 6_565 . ?
C4 C16 C17 110.9(18) . . ?
C90 C16 C15 154(4) 6_565 . ?
C91 C16 C15 43(2) 6_565 . ?
C4 C16 C15 125(2) . . ?
C17 C16 C15 123(2) . . ?
C90 C16 C87 63(2) 6_565 6_565 ?
C91 C16 C87 159(4) 6_565 6_565 ?
C4 C16 C87 10.5(15) . 6_565 ?
C17 C16 C87 100.4(18) . 6_565 ?
C15 C16 C87 136(2) . 6_565 ?
C90 C16 C89 143(4) 6_565 6_565 ?
C91 C16 C89 56(2) 6_565 6_565 ?
C4 C16 C89 105(2) . 6_565 ?
C17 C16 C89 135(2) . 6_565 ?
C15 C16 C89 26.1(13) . 6_565 ?
C87 C16 C89 114(2) 6_565 6_565 ?
C90 C16 Y6 91(3) 6_565 . ?
C91 C16 Y6 49(3) 6_565 . ?
C4 C16 Y6 109(2) . . ?
C17 C16 Y6 87.8(16) . . ?
C15 C16 Y6 66.9(14) . . ?
C87 C16 Y6 110(2) 6_565 . ?
C89 C16 Y6 54.7(15) 6_565 . ?
C90 C17 C16 40(2) 6_565 . ?
C90 C17 C76 84(2) 6_565 6_565 ?
C16 C17 C76 120(2) . 6_565 ?
C90 C17 C33 126(3) 6_565 . ?
C16 C17 C33 103(2) . . ?
C76 C17 C33 98.0(18) 6_565 . ?
C90 C17 C92 83(3) 6_565 . ?
C16 C17 C92 122.3(18) . . ?
C76 C17 C92 16.6(15) 6_565 . ?
C33 C17 C92 111.9(13) . . ?
C90 C17 C91 72(2) 6_565 6_565 ?
C16 C17 C91 37.1(16) . 6_565 ?
C76 C17 C91 129(2) 6_565 6_565 ?
C33 C17 C91 65.9(16) . 6_565 ?
C92 C17 C91 142(2) . 6_565 ?
C90 C17 C18 124(3) 6_565 6_565 ?
C16 C17 C18 135(2) . 6_565 ?
C76 C17 C18 52.4(13) 6_565 6_565 ?
C33 C17 C18 48.1(11) . 6_565 ?
C92 C17 C18 64.2(12) . 6_565 ?
C91 C17 C18 107(2) 6_565 6_565 ?
C90 C17 Y6 72(2) 6_565 . ?
C16 C17 Y6 63.3(15) . . ?
C76 C17 Y6 85.8(16) 6_565 . ?
C33 C17 Y6 54.9(13) . . ?
C92 C17 Y6 101.3(12) . . ?
C91 C17 Y6 44.6(14) 6_565 . ?
C18 C17 Y6 71.7(15) 6_565 . ?
C34 C18 C35 141(7) 6_565 6_565 ?
C34 C18 C33 77(4) 6_565 6_565 ?
C35 C18 C33 140(3) 6_565 6_565 ?
C34 C18 C55 43(6) 6_565 6_565 ?
C35 C18 C55 111(3) 6_565 6_565 ?
C33 C18 C55 106.9(17) 6_565 6_565 ?
C34 C18 C56 79(5) 6_565 . ?
C35 C18 C56 70(2) 6_565 . ?
C33 C18 C56 146.3(19) 6_565 . ?
C55 C18 C56 40.9(10) 6_565 . ?
C34 C18 C75 43(6) 6_565 . ?
C35 C18 C75 169(5) 6_565 . ?
C33 C18 C75 41.3(13) 6_565 . ?
C55 C18 C75 65.7(11) 6_565 . ?
C56 C18 C75 105.9(12) . . ?
C34 C18 C76 162(8) 6_565 . ?
C35 C18 C76 50(2) 6_565 . ?
C33 C18 C76 89.7(19) 6_565 . ?
C55 C18 C76 155(3) 6_565 . ?
C56 C18 C76 118(2) . . ?
C75 C18 C76 129(2) . . ?
C34 C18 C92 155(10) 6_565 6_565 ?
C35 C18 C92 50.2(15) 6_565 6_565 ?
C33 C18 C92 90.2(17) 6_565 6_565 ?
C55 C18 C92 161(2) 6_565 6_565 ?
C56 C18 C92 120.3(18) . 6_565 ?
C75 C18 C92 131.1(18) . 6_565 ?
C76 C18 C92 9.8(17) . 6_565 ?
C34 C18 C17 118(6) 6_565 6_565 ?
C35 C18 C17 94(2) 6_565 6_565 ?
C33 C18 C17 46.6(11) 6_565 6_565 ?
C55 C18 C17 153.4(18) 6_565 6_565 ?
C56 C18 C17 163(2) . 6_565 ?
C75 C18 C17 87.9(13) . 6_565 ?
C76 C18 C17 45.2(13) . 6_565 ?
C92 C18 C17 43.9(8) 6_565 6_565 ?
C34 C18 Y6 100(8) 6_565 6_565 ?
C35 C18 Y6 112(4) 6_565 6_565 ?
C33 C18 Y6 53.2(17) 6_565 6_565 ?
C55 C18 Y6 94(2) 6_565 6_565 ?
C56 C18 Y6 109(2) . 6_565 ?
C75 C18 Y6 59(2) . 6_565 ?
C76 C18 Y6 81(2) . 6_565 ?
C92 C18 Y6 89.5(18) 6_565 6_565 ?
C17 C18 Y6 68.9(13) 6_565 6_565 ?
C78 C19 C37 154(5) 6_565 . ?
C78 C19 C61 87(4) 6_565 6_565 ?
C37 C19 C61 116(3) . 6_565 ?
C78 C19 C77 86(4) 6_565 6_565 ?
C37 C19 C77 69(3) . 6_565 ?
C61 C19 C77 166(2) 6_565 6_565 ?
C78 C19 C20 82(4) 6_565 . ?
C37 C19 C20 118(3) . . ?
C61 C19 C20 11(2) 6_565 . ?
C77 C19 C20 155(2) 6_565 . ?
C78 C19 C6 37(3) 6_565 . ?
C37 C19 C6 117(3) . . ?
C61 C19 C6 122(2) 6_565 . ?
C77 C19 C6 49.1(16) 6_565 . ?
C20 C19 C6 115(2) . . ?
C78 C19 C60 134(4) 6_565 6_565 ?
C37 C19 C60 68(2) . 6_565 ?
C61 C19 C60 48.4(14) 6_565 6_565 ?
C77 C19 C60 135(2) 6_565 6_565 ?
C20 C19 C60 52.1(18) . 6_565 ?
C6 C19 C60 158.9(17) . 6_565 ?
C78 C19 C59 166(3) 6_565 6_565 ?
C37 C19 C59 25.8(19) . 6_565 ?
C61 C19 C59 90(2) 6_565 6_565 ?
C77 C19 C59 93(2) 6_565 6_565 ?
C20 C19 C59 93(2) . 6_565 ?
C6 C19 C59 139(2) . 6_565 ?
C60 C19 C59 42.1(9) 6_565 6_565 ?
C78 C19 C58 134(4) 6_565 6_565 ?
C37 C19 C58 20(2) . 6_565 ?
C61 C19 C58 135(2) 6_565 6_565 ?
C77 C19 C58 48.7(15) 6_565 6_565 ?
C20 C19 C58 134(2) . 6_565 ?
C6 C19 C58 97(2) . 6_565 ?
C60 C19 C58 86.9(17) 6_565 6_565 ?
C59 C19 C58 44.9(14) 6_565 6_565 ?
C78 C19 Y8 102(3) 6_565 . ?
C37 C19 Y8 76.9(17) . . ?
C61 C19 Y8 69.1(18) 6_565 . ?
C77 C19 Y8 100.5(16) 6_565 . ?
C20 C19 Y8 60.7(17) . . ?
C6 C19 Y8 102.2(12) . . ?
C60 C19 Y8 57.6(9) 6_565 . ?
C59 C19 Y8 64.5(14) 6_565 . ?
C58 C19 Y8 81.6(14) 6_565 . ?
C78 C19 Y2 88(3) 6_565 . ?
C37 C19 Y2 91.4(17) . . ?
C61 C19 Y2 62.4(17) 6_565 . ?
C77 C19 Y2 105.2(15) 6_565 . ?
C20 C19 Y2 52.5(16) . . ?
C6 C19 Y2 94.7(11) . . ?
C60 C19 Y2 64.2(9) 6_565 . ?
C59 C19 Y2 78.3(13) 6_565 . ?
C58 C19 Y2 94.8(13) 6_565 . ?
Y8 C19 Y2 14.5(4) . . ?
C61 C20 C62 159(10) 6_565 6_565 ?
C61 C20 C21 108(7) 6_565 . ?
C62 C20 C21 81(2) 6_565 . ?
C61 C20 C7 140(9) 6_565 . ?
C62 C20 C7 24.0(19) 6_565 . ?
C21 C20 C7 104.1(16) . . ?
C61 C20 C60 62(6) 6_565 6_565 ?
C62 C20 C60 131(3) 6_565 6_565 ?
C21 C20 C60 51.6(18) . 6_565 ?
C7 C20 C60 155(2) . 6_565 ?
C61 C20 C19 38(9) 6_565 . ?
C62 C20 C19 151(3) 6_565 . ?
C21 C20 C19 124(3) . . ?
C7 C20 C19 130(3) . . ?
C60 C20 C19 73(2) 6_565 . ?
C61 C20 C78 55(6) 6_565 6_565 ?
C62 C20 C78 124(3) 6_565 6_565 ?
C21 C20 C78 152(3) . 6_565 ?
C7 C20 C78 102(3) . 6_565 ?
C60 C20 C78 101(2) 6_565 6_565 ?
C19 C20 C78 28.3(13) . 6_565 ?
C61 C20 C80 130(7) 6_565 6_565 ?
C62 C20 C80 43.5(16) 6_565 6_565 ?
C21 C20 C80 122.1(19) . 6_565 ?
C7 C20 C80 25(2) . 6_565 ?
C60 C20 C80 161(3) 6_565 6_565 ?
C19 C20 C80 108(2) . 6_565 ?
C78 C20 C80 80.6(18) 6_565 6_565 ?
C61 C20 Y8 109(10) 6_565 . ?
C62 C20 Y8 92(3) 6_565 . ?
C21 C20 Y8 72.8(18) . . ?
C7 C20 Y8 103(2) . . ?
C60 C20 Y8 68.7(17) 6_565 . ?
C19 C20 Y8 82.2(19) . . ?
C78 C20 Y8 92(2) 6_565 . ?
C80 C20 Y8 92.1(16) 6_565 . ?
C61 C20 Y2 127(10) 6_565 . ?
C62 C20 Y2 74(2) 6_565 . ?
C21 C20 Y2 76.9(16) . . ?
C7 C20 Y2 84(2) . . ?
C60 C20 Y2 86.1(19) 6_565 . ?
C19 C20 Y2 95(2) . . ?
C78 C20 Y2 96(2) 6_565 . ?
C80 C20 Y2 74.6(13) 6_565 . ?
Y8 C20 Y2 19.1(5) . . ?
C61 C20 Y1 132(10) 6_565 . ?
C62 C20 Y1 63(2) 6_565 . ?
C21 C20 Y1 99.9(17) . . ?
C7 C20 Y1 64(2) . . ?
C60 C20 Y1 112(2) 6_565 . ?
C19 C20 Y1 94.2(19) . . ?
C78 C20 Y1 82.9(18) 6_565 . ?
C80 C20 Y1 48.5(10) 6_565 . ?
Y8 C20 Y1 43.6(8) . . ?
Y2 C20 Y1 27.5(5) . . ?
C40 C21 C60 70.3(16) 6_565 6_565 ?
C40 C21 C39 23.5(13) 6_565 . ?
C60 C21 C39 46.9(17) 6_565 . ?
C40 C21 C22 101(2) 6_565 . ?
C60 C21 C22 149(2) 6_565 . ?
C39 C21 C22 120(2) . . ?
C40 C21 C20 136(3) 6_565 . ?
C60 C21 C20 68(2) 6_565 . ?
C39 C21 C20 113(3) . . ?
C22 C21 C20 106.6(14) . . ?
C40 C21 C41 61.7(17) 6_565 6_565 ?
C60 C21 C41 127(2) 6_565 6_565 ?
C39 C21 C41 82.7(17) . 6_565 ?
C22 C21 C41 40.1(15) . 6_565 ?
C20 C21 C41 141(2) . 6_565 ?
C40 C21 C63 119(2) 6_565 6_565 ?
C60 C21 C63 152(2) 6_565 6_565 ?
C39 C21 C63 137(2) . 6_565 ?
C22 C21 C63 17.6(13) . 6_565 ?
C20 C21 C63 92.5(16) . 6_565 ?
C41 C21 C63 57.3(13) 6_565 6_565 ?
C40 C21 C61 126(2) 6_565 6_565 ?
C60 C21 C61 56.2(15) 6_565 6_565 ?
C39 C21 C61 103(2) . 6_565 ?
C22 C21 C61 120.7(18) . 6_565 ?
C20 C21 C61 14.1(16) . 6_565 ?
C41 C21 C61 153(2) 6_565 6_565 ?
C63 C21 C61 106.5(18) 6_565 6_565 ?
C40 C21 C62 160(2) 6_565 6_565 ?
C60 C21 C62 108(2) 6_565 6_565 ?
C39 C21 C62 148(2) . 6_565 ?
C22 C21 C62 69.1(14) . 6_565 ?
C20 C21 C62 40.6(15) . 6_565 ?
C41 C21 C62 108.8(17) 6_565 6_565 ?
C63 C21 C62 53.1(11) 6_565 6_565 ?
C61 C21 C62 54.1(12) 6_565 6_565 ?
C40 C21 Y8 81.9(19) 6_565 . ?
C60 C21 Y8 70.8(13) 6_565 . ?
C39 C21 Y8 73.4(17) . . ?
C22 C21 Y8 78.8(18) . . ?
C20 C21 Y8 71(2) . . ?
C41 C21 Y8 80.8(12) 6_565 . ?
C63 C21 Y8 83.5(13) 6_565 . ?
C61 C21 Y8 75.4(17) 6_565 . ?
C62 C21 Y8 78.9(13) 6_565 . ?
C40 C21 Y2 95.5(19) 6_565 . ?
C60 C21 Y2 86.9(14) 6_565 . ?
C39 C21 Y2 90.7(17) . . ?
C22 C21 Y2 63.9(18) . . ?
C20 C21 Y2 68.3(18) . . ?
C41 C21 Y2 76.6(11) 6_565 . ?
C63 C21 Y2 66.1(12) 6_565 . ?
C61 C21 Y2 76.8(15) 6_565 . ?
C62 C21 Y2 64.5(11) 6_565 . ?
Y8 C21 Y2 18.3(4) . . ?
C40 C21 Y3 66.3(18) 6_565 . ?
C60 C21 Y3 86.7(13) 6_565 . ?
C39 C21 Y3 68.2(14) . . ?
C22 C21 Y3 63.3(17) . . ?
C20 C21 Y3 96.9(19) . . ?
C41 C21 Y3 54.6(10) 6_565 . ?
C63 C21 Y3 74.6(11) 6_565 . ?
C61 C21 Y3 102.2(16) 6_565 . ?
C62 C21 Y3 93.6(12) 6_565 . ?
Y8 C21 Y3 26.8(5) . . ?
Y2 C21 Y3 30.9(3) . . ?
C63 C22 C41 165(9) 6_565 6_565 ?
C63 C22 C42 145(5) 6_565 . ?
C41 C22 C42 43.4(15) 6_565 . ?
C63 C22 C8 21(6) 6_565 . ?
C41 C22 C8 173(4) 6_565 . ?
C42 C22 C8 137(3) . . ?
C63 C22 C21 101(4) 6_565 . ?
C41 C22 C21 71(2) 6_565 . ?
C42 C22 C21 114(2) . . ?
C8 C22 C21 106.7(13) . . ?
C63 C22 C65 57(4) 6_565 6_565 ?
C41 C22 C65 133(3) 6_565 6_565 ?
C42 C22 C65 89.8(19) . 6_565 ?
C8 C22 C65 47.9(18) . 6_565 ?
C21 C22 C65 154(2) . 6_565 ?
C63 C22 C62 45(4) 6_565 6_565 ?
C41 C22 C62 132(3) 6_565 6_565 ?
C42 C22 C62 163(3) . 6_565 ?
C8 C22 C62 45.4(13) . 6_565 ?
C21 C22 C62 61.4(13) . 6_565 ?
C65 C22 C62 93.0(16) 6_565 6_565 ?
C63 C22 C40 136(5) 6_565 6_565 ?
C41 C22 C40 36.8(15) 6_565 6_565 ?
C42 C22 C40 78.5(14) . 6_565 ?
C8 C22 C40 139.8(18) . 6_565 ?
C21 C22 C40 35.2(14) . 6_565 ?
C65 C22 C40 164(3) 6_565 6_565 ?
C62 C22 C40 95.1(15) 6_565 6_565 ?
C63 C22 C42 152(4) 6_565 6_565 ?
C41 C22 C42 38.4(17) 6_565 6_565 ?
C42 C22 C42 6.8(6) . 6_565 ?
C8 C22 C42 141(2) . 6_565 ?
C21 C22 C42 107.6(17) . 6_565 ?
C65 C22 C42 95.2(15) 6_565 6_565 ?
C62 C22 C42 158(2) 6_565 6_565 ?
C40 C22 C42 72.5(12) 6_565 6_565 ?
C63 C22 Y2 94(7) 6_565 . ?
C41 C22 Y2 97(3) 6_565 . ?
C42 C22 Y2 95(2) . . ?
C8 C22 Y2 76.3(18) . . ?
C21 C22 Y2 80.7(17) . . ?
C65 C22 Y2 87.1(19) 6_565 . ?
C62 C22 Y2 68.9(15) 6_565 . ?
C40 C22 Y2 82.8(14) 6_565 . ?
C42 C22 Y2 90.8(17) 6_565 . ?
C63 C22 Y8 107(7) 6_565 . ?
C41 C22 Y8 82(3) 6_565 . ?
C42 C22 Y8 91(2) . . ?
C8 C22 Y8 91(2) . . ?
C21 C22 Y8 66.7(16) . . ?
C65 C22 Y8 104(2) 6_565 . ?
C62 C22 Y8 72.7(15) 6_565 . ?
C40 C22 Y8 65.1(13) 6_565 . ?
C42 C22 Y8 85.2(16) 6_565 . ?
Y2 C22 Y8 17.7(4) . . ?
C63 C22 Y3 127(7) 6_565 . ?
C41 C22 Y3 66(3) 6_565 . ?
C42 C22 Y3 61.8(17) . . ?
C8 C22 Y3 108(2) . . ?
C21 C22 Y3 85.9(17) . . ?
C65 C22 Y3 97.0(19) 6_565 . ?
C62 C22 Y3 101.5(19) 6_565 . ?
C40 C22 Y3 67.7(12) 6_565 . ?
C42 C22 Y3 56.9(12) 6_565 . ?
Y2 C22 Y3 34.7(6) . . ?
Y8 C22 Y3 29.5(6) . . ?
C64 C23 C44 105(4) 6_565 6_565 ?
C64 C23 C65 85(2) 6_565 6_565 ?
C44 C23 C65 170(3) 6_565 6_565 ?
C64 C23 C24 116(3) 6_565 . ?
C44 C23 C24 14.2(19) 6_565 . ?
C65 C23 C24 157(3) 6_565 . ?
C64 C23 C43 24(3) 6_565 . ?
C44 C23 C43 111(2) 6_565 . ?
C65 C23 C43 78.5(19) 6_565 . ?
C24 C23 C43 125(2) . . ?
C64 C23 C9 131(3) 6_565 . ?
C44 C23 C9 123(3) 6_565 . ?
C65 C23 C9 46.5(16) 6_565 . ?
C24 C23 C9 110.8(19) . . ?
C43 C23 C9 123.1(18) . . ?
C64 C23 C67 164(4) 6_565 6_565 ?
C44 C23 C67 62.9(15) 6_565 6_565 ?
C65 C23 C67 107(2) 6_565 6_565 ?
C24 C23 C67 50.4(14) . 6_565 ?
C43 C23 C67 166(2) . 6_565 ?
C9 C23 C67 60.6(16) . 6_565 ?
C64 C23 C66 139(3) 6_565 6_565 ?
C44 C23 C66 115(2) 6_565 6_565 ?
C65 C23 C66 54.8(14) 6_565 6_565 ?
C24 C23 C66 102.3(17) . 6_565 ?
C43 C23 C66 131.6(18) . 6_565 ?
C9 C23 C66 8.6(13) . 6_565 ?
C67 C23 C66 52.2(11) 6_565 6_565 ?
C64 C23 C43 27(3) 6_565 6_565 ?
C44 C23 C43 99(2) 6_565 6_565 ?
C65 C23 C43 90.9(15) 6_565 6_565 ?
C24 C23 C43 112.5(18) . 6_565 ?
C43 C23 C43 12.6(9) . 6_565 ?
C9 C23 C43 134.3(15) . 6_565 ?
C67 C23 C43 156.4(19) 6_565 6_565 ?
C66 C23 C43 142.6(15) 6_565 6_565 ?
C64 C23 Y9 122(4) 6_565 . ?
C44 C23 Y9 84(3) 6_565 . ?
C65 C23 Y9 91(2) 6_565 . ?
C24 C23 Y9 86(2) . . ?
C43 C23 Y9 98.6(15) . . ?
C9 C23 Y9 73(2) . . ?
C67 C23 Y9 69.0(18) 6_565 . ?
C66 C23 Y9 73(2) 6_565 . ?
C43 C23 Y9 96.0(14) 6_565 . ?
C64 C23 Y1 124(3) 6_565 . ?
C44 C23 Y1 103(3) 6_565 . ?
C65 C23 Y1 70.8(15) 6_565 . ?
C24 C23 Y1 101.9(17) . . ?
C43 C23 Y1 100.1(11) . . ?
C9 C23 Y1 54.5(13) . . ?
C67 C23 Y1 70.7(14) 6_565 . ?
C66 C23 Y1 56.0(16) 6_565 . ?
C43 C23 Y1 102.2(8) 6_565 . ?
Y9 C23 Y1 21.3(18) . . ?
C64 C23 Y2 97(3) 6_565 . ?
C44 C23 Y2 119(3) 6_565 . ?
C65 C23 Y2 59.4(13) 6_565 . ?
C24 C23 Y2 123.0(17) . . ?
C43 C23 Y2 73.2(10) . . ?
C9 C23 Y2 67.3(13) . . ?
C67 C23 Y2 98.3(15) 6_565 . ?
C66 C23 Y2 72.4(15) 6_565 . ?
C43 C23 Y2 77.3(7) 6_565 . ?
Y9 C23 Y2 37.7(14) . . ?
Y1 C23 Y2 27.7(3) . . ?
C44 C24 C67 101(5) 6_565 6_565 ?
C44 C24 C23 34(4) 6_565 . ?
C67 C24 C23 71.1(17) 6_565 . ?
C44 C24 C45 84(4) 6_565 . ?
C67 C24 C45 153(3) 6_565 . ?
C23 C24 C45 118.5(19) . . ?
C44 C24 C25 138(9) 6_565 . ?
C67 C24 C25 50.9(18) 6_565 . ?
C23 C24 C25 120(2) . . ?
C45 C24 C25 109(2) . . ?
C44 C24 C64 22(6) 6_565 6_565 ?
C67 C24 C64 91.8(16) 6_565 6_565 ?
C23 C24 C64 21.1(14) . 6_565 ?
C45 C24 C64 101.2(16) . 6_565 ?
C25 C24 C64 140(2) . 6_565 ?
C44 C24 C46 121(6) 6_565 6_565 ?
C67 C24 C46 111(2) 6_565 6_565 ?
C23 C24 C46 149(2) . 6_565 ?
C45 C24 C46 47.5(13) . 6_565 ?
C25 C24 C46 61.4(16) . 6_565 ?
C64 C24 C46 143.4(17) 6_565 6_565 ?
C44 C24 Y9 63(9) 6_565 . ?
C67 C24 Y9 61(2) 6_565 . ?
C23 C24 Y9 62.0(17) . . ?
C45 C24 Y9 100(2) . . ?
C25 C24 Y9 74.8(18) . . ?
C64 C24 Y9 74.9(17) 6_565 . ?
C46 C24 Y9 91.0(18) 6_565 . ?
C68 C25 C67 88(3) 6_565 6_565 ?
C68 C25 C69 87(3) 6_565 6_565 ?
C67 C25 C69 159(3) 6_565 6_565 ?
C68 C25 C24 141(4) 6_565 . ?
C67 C25 C24 54.4(16) 6_565 . ?
C69 C25 C24 124(3) 6_565 . ?
C68 C25 C26 91(3) 6_565 . ?
C67 C25 C26 159(3) 6_565 . ?
C69 C25 C26 4.8(18) 6_565 . ?
C24 C25 C26 120(2) . . ?
C68 C25 C11 19(3) 6_565 . ?
C67 C25 C11 68.8(18) 6_565 . ?
C69 C25 C11 104.2(17) 6_565 . ?
C24 C25 C11 122.0(19) . . ?
C26 C25 C11 108.9(11) . . ?
C68 C25 C46 136(4) 6_565 6_565 ?
C67 C25 C46 126(2) 6_565 6_565 ?
C69 C25 C46 51.3(17) 6_565 6_565 ?
C24 C25 C46 73.5(16) . 6_565 ?
C26 C25 C46 46.6(15) . 6_565 ?
C11 C25 C46 148.8(15) . 6_565 ?
C68 C25 C44 133(4) 6_565 6_565 ?
C67 C25 C44 49.7(14) 6_565 6_565 ?
C69 C25 C44 125(3) 6_565 6_565 ?
C24 C25 C44 9(2) . 6_565 ?
C26 C25 C44 120.5(19) . 6_565 ?
C11 C25 C44 114.9(16) . 6_565 ?
C46 C25 C44 76.4(14) 6_565 6_565 ?
C68 C25 Y9 79(4) 6_565 . ?
C67 C25 Y9 59(2) 6_565 . ?
C69 C25 Y9 100(3) 6_565 . ?
C24 C25 Y9 72.1(16) . . ?
C26 C25 Y9 100.3(19) . . ?
C11 C25 Y9 69.5(17) . . ?
C46 C25 Y9 93.8(18) 6_565 . ?
C44 C25 Y9 62.7(17) 6_565 . ?
C69 C26 C70 119(9) 6_565 6_565 ?
C69 C26 C47 148(10) 6_565 . ?
C70 C26 C47 79(3) 6_565 . ?
C69 C26 C46 101(10) 6_565 6_565 ?
C70 C26 C46 124(4) 6_565 6_565 ?
C47 C26 C46 49.5(14) . 6_565 ?
C69 C26 C25 22(8) 6_565 . ?
C70 C26 C25 137(2) 6_565 . ?
C47 C26 C25 129(2) . . ?
C46 C26 C25 80(2) 6_565 . ?
C69 C26 C27 86(8) 6_565 . ?
C70 C26 C27 35.7(16) 6_565 . ?
C47 C26 C27 115(3) . . ?
C46 C26 C27 154(3) 6_565 . ?
C25 C26 C27 106.9(12) . . ?
C69 C26 C68 5(8) 6_565 6_565 ?
C70 C26 C68 114(2) 6_565 6_565 ?
C47 C26 C68 150(3) . 6_565 ?
C46 C26 C68 105(2) 6_565 6_565 ?
C25 C26 C68 25.8(11) . 6_565 ?
C27 C26 C68 81.5(14) . 6_565 ?
C70 C27 C84 92(3) 6_565 6_565 ?
C70 C27 C12 155(3) 6_565 . ?
C84 C27 C12 90(2) 6_565 . ?
C70 C27 C26 58(2) 6_565 . ?
C84 C27 C26 144(3) 6_565 . ?
C12 C27 C26 108.9(11) . . ?
C70 C27 C69 68(2) 6_565 6_565 ?
C84 C27 C69 148(3) 6_565 6_565 ?
C12 C27 C69 98.1(16) . 6_565 ?
C26 C27 C69 10.8(15) . 6_565 ?
C70 C27 C28 65(2) 6_565 . ?
C84 C27 C28 28.8(19) 6_565 . ?
C12 C27 C28 118.4(15) . . ?
C26 C27 C28 122(2) . . ?
C69 C27 C28 131(2) 6_565 . ?
C70 C27 C85 146(3) 6_565 6_565 ?
C84 C27 C85 60.9(16) 6_565 6_565 ?
C12 C27 C85 29.0(13) . 6_565 ?
C26 C27 C85 134.2(16) . 6_565 ?
C69 C27 C85 124(2) 6_565 6_565 ?
C28 C27 C85 89.7(17) . 6_565 ?
C70 C27 C83 143(3) 6_565 6_565 ?
C84 C27 C83 103(2) 6_565 6_565 ?
C12 C27 C83 15.9(9) . 6_565 ?
C26 C27 C83 92.9(12) . 6_565 ?
C69 C27 C83 82.2(15) 6_565 6_565 ?
C28 C27 C83 131.0(15) . 6_565 ?
C85 C27 C83 43.9(9) 6_565 6_565 ?
C84 C28 C71 103(4) 6_565 6_565 ?
C84 C28 C49 153(5) 6_565 . ?
C71 C28 C49 90(3) 6_565 . ?
C84 C28 C70 74(3) 6_565 6_565 ?
C71 C28 C70 158(4) 6_565 6_565 ?
C49 C28 C70 85(2) . 6_565 ?
C84 C28 C27 41(3) 6_565 . ?
C71 C28 C27 143(3) 6_565 . ?
C49 C28 C27 120(2) . . ?
C70 C28 C27 34.9(14) 6_565 . ?
C84 C28 C29 75(3) 6_565 . ?
C71 C28 C29 30(2) 6_565 . ?
C49 C28 C29 120(2) . . ?
C70 C28 C29 148(2) 6_565 . ?
C27 C28 C29 116.2(18) . . ?
C84 C28 C50 147(4) 6_565 6_565 ?
C71 C28 C50 48(2) 6_565 6_565 ?
C49 C28 C50 41.9(12) . 6_565 ?
C70 C28 C50 125(3) 6_565 6_565 ?
C27 C28 C50 158(2) . 6_565 ?
C29 C28 C50 78.6(17) . 6_565 ?
C84 C28 C48 118(3) 6_565 6_565 ?
C71 C28 C48 126(3) 6_565 6_565 ?
C49 C28 C48 39.5(13) . 6_565 ?
C70 C28 C48 45.3(13) 6_565 6_565 ?
C27 C28 C48 80.1(15) . 6_565 ?
C29 C28 C48 154(2) . 6_565 ?
C50 C28 C48 80.7(16) 6_565 6_565 ?
C84 C28 Y4 86(4) 6_565 . ?
C71 C28 Y4 47(3) 6_565 . ?
C49 C28 Y4 86.1(16) . . ?
C70 C28 Y4 111.6(19) 6_565 . ?
C27 C28 Y4 109.5(13) . . ?
C29 C28 Y4 56.5(17) . . ?
C50 C28 Y4 63.3(9) 6_565 . ?
C48 C28 Y4 100.6(13) 6_565 . ?
C71 C29 C72 103(6) 6_565 6_565 ?
C71 C29 C14 150(6) 6_565 . ?
C72 C29 C14 77(2) 6_565 . ?
C71 C29 C30 90(4) 6_565 . ?
C72 C29 C30 34.2(18) 6_565 . ?
C14 C29 C30 103.9(12) . . ?
C71 C29 C84 69(3) 6_565 6_565 ?
C72 C29 C84 139(4) 6_565 6_565 ?
C14 C29 C84 90.5(19) . 6_565 ?
C30 C29 C84 157(3) . 6_565 ?
C71 C29 C28 41(3) 6_565 . ?
C72 C29 C28 137(4) 6_565 . ?
C14 C29 C28 120.0(18) . . ?
C30 C29 C28 131(2) . . ?
C84 C29 C28 29.6(14) 6_565 . ?
C71 C29 C89 137(6) 6_565 6_565 ?
C72 C29 C89 51.7(17) 6_565 6_565 ?
C14 C29 C89 26.5(13) . 6_565 ?
C30 C29 C89 82.1(13) . 6_565 ?
C84 C29 C89 106(2) 6_565 6_565 ?
C28 C29 C89 131(2) . 6_565 ?
C71 C29 Y4 70(5) 6_565 . ?
C72 C29 Y4 50(3) 6_565 . ?
C14 C29 Y4 89.0(18) . . ?
C30 C29 Y4 71.1(16) . . ?
C84 C29 Y4 91(2) 6_565 . ?
C28 C29 Y4 88.8(19) . . ?
C89 C29 Y4 67.6(15) 6_565 . ?
C71 C29 Y6 95(6) 6_565 . ?
C72 C29 Y6 38(2) 6_565 . ?
C14 C29 Y6 66.5(16) . . ?
C30 C29 Y6 69.3(14) . . ?
C84 C29 Y6 101(2) 6_565 . ?
C28 C29 Y6 109(2) . . ?
C89 C29 Y6 43.1(14) 6_565 . ?
Y4 C29 Y6 24.8(5) . . ?
C71 C29 Y7 80(5) 6_565 . ?
C72 C29 Y7 32(3) 6_565 . ?
C14 C29 Y7 86.3(16) . . ?
C30 C29 Y7 55.4(14) . . ?
C84 C29 Y7 109(2) 6_565 . ?
C28 C29 Y7 105(2) . . ?
C89 C29 Y7 61.2(13) 6_565 . ?
Y4 C29 Y7 17.5(4) . . ?
Y6 C29 Y7 20.9(6) . . ?
C72 C30 C73 82(3) 6_565 6_565 ?
C72 C30 C51 108(4) 6_565 . ?
C73 C30 C51 75.2(17) 6_565 . ?
C72 C30 C31 67(3) 6_565 . ?
C73 C30 C31 41.3(14) 6_565 . ?
C51 C30 C31 116.4(18) . . ?
C72 C30 C29 52(3) 6_565 . ?
C73 C30 C29 133(2) 6_565 . ?
C51 C30 C29 112(3) . . ?
C31 C30 C29 110.4(12) . . ?
C72 C30 C71 67(3) 6_565 6_565 ?
C73 C30 C71 135(3) 6_565 6_565 ?
C51 C30 C71 84(2) . 6_565 ?
C31 C30 C71 134(2) . 6_565 ?
C29 C30 C71 29.0(17) . 6_565 ?
C72 C30 Y4 43(3) 6_565 . ?
C73 C30 Y4 71.5(15) 6_565 . ?
C51 C30 Y4 65.4(14) . . ?
C31 C30 Y4 87.5(13) . . ?
C29 C30 Y4 70.7(18) . . ?
C71 C30 Y4 63.0(19) 6_565 . ?
C72 C30 Y7 56(3) 6_565 . ?
C73 C30 Y7 45.1(14) 6_565 . ?
C51 C30 Y7 60.3(13) . . ?
C31 C30 Y7 70.1(13) . . ?
C29 C30 Y7 96.2(18) . . ?
C71 C30 Y7 89(2) 6_565 . ?
Y4 C30 Y7 26.9(4) . . ?
C72 C30 Y6 34(3) 6_565 . ?
C73 C30 Y6 52.3(14) 6_565 . ?
C51 C30 Y6 82.2(14) . . ?
C31 C30 Y6 59.8(12) . . ?
C29 C30 Y6 81.9(16) . . ?
C71 C30 Y6 85.4(19) 6_565 . ?
Y4 C30 Y6 27.8(4) . . ?
Y7 C30 Y6 22.7(5) . . ?
C73 C31 C72 77(2) 6_565 6_565 ?
C73 C31 C74 76(2) 6_565 6_565 ?
C72 C31 C74 119(3) 6_565 6_565 ?
C73 C31 C32 66(2) 6_565 . ?
C72 C31 C32 128(3) 6_565 . ?
C74 C31 C32 19.6(17) 6_565 . ?
C73 C31 C15 137(3) 6_565 . ?
C72 C31 C15 78.2(18) 6_565 . ?
C74 C31 C15 87(2) 6_565 . ?
C32 C31 C15 106(2) . . ?
C73 C31 C30 65(2) 6_565 . ?
C72 C31 C30 33.6(15) 6_565 . ?
C74 C31 C30 136(2) 6_565 . ?
C32 C31 C30 131.2(19) . . ?
C15 C31 C30 107.5(12) . . ?
C73 C31 C89 116(3) 6_565 6_565 ?
C72 C31 C89 53.8(13) 6_565 6_565 ?
C74 C31 C89 94(2) 6_565 6_565 ?
C32 C31 C89 114(2) . 6_565 ?
C15 C31 C89 25.2(14) . 6_565 ?
C30 C31 C89 85.5(14) . 6_565 ?
C73 C31 C91 116(3) 6_565 6_565 ?
C72 C31 C91 97(2) 6_565 6_565 ?
C74 C31 C91 52.4(13) 6_565 6_565 ?
C32 C31 C91 71.2(18) . 6_565 ?
C15 C31 C91 34.6(13) . 6_565 ?
C30 C31 C91 130.6(18) . 6_565 ?
C89 C31 C91 47.9(10) 6_565 6_565 ?
C73 C31 Y6 68(2) 6_565 . ?
C72 C31 Y6 63.3(19) 6_565 . ?
C74 C31 Y6 56.4(18) 6_565 . ?
C32 C31 Y6 70.1(17) . . ?
C15 C31 Y6 69.5(14) . . ?
C30 C31 Y6 89.3(14) . . ?
C89 C31 Y6 55.8(14) 6_565 . ?
C91 C31 Y6 53.9(14) 6_565 . ?
C73 C31 Y7 42(2) 6_565 . ?
C72 C31 Y7 61.8(19) 6_565 . ?
C74 C31 Y7 61.3(18) 6_565 . ?
C32 C31 Y7 66.6(16) . . ?
C15 C31 Y7 94.7(15) . . ?
C30 C31 Y7 75.9(13) . . ?
C89 C31 Y7 77.4(15) 6_565 . ?
C91 C31 Y7 78.3(14) 6_565 . ?
Y6 C31 Y7 25.9(7) . . ?
C73 C31 Y4 57(2) 6_565 . ?
C72 C31 Y4 36.8(18) 6_565 . ?
C74 C31 Y4 83.4(19) 6_565 . ?
C32 C31 Y4 91.8(17) . . ?
C15 C31 Y4 82.6(13) . . ?
C30 C31 Y4 58.7(11) . . ?
C89 C31 Y4 59.8(14) 6_565 . ?
C91 C31 Y4 80.7(14) 6_565 . ?
Y6 C31 Y4 30.7(6) . . ?
Y7 C31 Y4 25.8(4) . . ?
C74 C32 C73 92(5) 6_565 6_565 ?
C74 C32 C53 123(7) 6_565 . ?
C73 C32 C53 72.1(16) 6_565 . ?
C74 C32 C75 79(5) 6_565 6_565 ?
C73 C32 C75 131(3) 6_565 6_565 ?
C53 C32 C75 73.4(19) . 6_565 ?
C74 C32 C31 71(4) 6_565 . ?
C73 C32 C31 41.2(14) 6_565 . ?
C53 C32 C31 113(2) . . ?
C75 C32 C31 148(3) 6_565 . ?
C74 C32 C33 47(4) 6_565 . ?
C73 C32 C33 135(3) 6_565 . ?
C53 C32 C33 112(2) . . ?
C75 C32 C33 40.4(13) 6_565 . ?
C31 C32 C33 117(2) . . ?
C74 C32 C91 16(5) 6_565 6_565 ?
C73 C32 C91 93.6(19) 6_565 6_565 ?
C53 C32 C91 138(3) . 6_565 ?
C75 C32 C91 90.0(19) 6_565 6_565 ?
C31 C32 C91 64.1(17) . 6_565 ?
C33 C32 C91 52.6(15) . 6_565 ?
C74 C32 Y7 67(6) 6_565 . ?
C73 C32 Y7 52.9(17) 6_565 . ?
C53 C32 Y7 59.5(16) . . ?
C75 C32 Y7 80(2) 6_565 . ?
C31 C32 Y7 77.9(16) . . ?
C33 C32 Y7 89.3(18) . . ?
C91 C32 Y7 80.4(15) 6_565 . ?
C74 C32 Y6 41(6) 6_565 . ?
C73 C32 Y6 68.1(19) 6_565 . ?
C53 C32 Y6 84(2) . . ?
C75 C32 Y6 75(2) 6_565 . ?
C31 C32 Y6 74.9(17) . . ?
C33 C32 Y6 68.1(16) . . ?
C91 C32 Y6 54.5(14) 6_565 . ?
Y7 C32 Y6 27.0(7) . . ?
C74 C32 Y4 59(5) 6_565 . ?
C73 C32 Y4 42.9(16) 6_565 . ?
C53 C32 Y4 74.9(17) . . ?
C75 C32 Y4 95(2) 6_565 . ?
C31 C32 Y4 59.5(14) . . ?
C33 C32 Y4 93.5(17) . . ?
C91 C32 Y4 68.8(13) 6_565 . ?
Y7 C32 Y4 19.1(4) . . ?
Y6 C32 Y4 25.4(7) . . ?
C75 C33 C74 78(2) 6_565 6_565 ?
C75 C33 C17 158(2) 6_565 . ?
C74 C33 C17 123(2) 6_565 . ?
C75 C33 C34 56(2) 6_565 . ?
C74 C33 C34 133(2) 6_565 . ?
C17 C33 C34 102.3(13) . . ?
C75 C33 C18 72.5(18) 6_565 6_565 ?
C74 C33 C18 145(3) 6_565 6_565 ?
C17 C33 C18 85.2(15) . 6_565 ?
C34 C33 C18 19.3(18) . 6_565 ?
C75 C33 C32 65(2) 6_565 . ?
C74 C33 C32 16.7(17) 6_565 . ?
C17 C33 C32 136(2) . . ?
C34 C33 C32 121(2) . . ?
C18 C33 C32 137(2) 6_565 . ?
C75 C33 C91 135(3) 6_565 6_565 ?
C74 C33 C91 62.2(14) 6_565 6_565 ?
C17 C33 C91 61.1(16) . 6_565 ?
C34 C33 C91 152(2) . 6_565 ?
C18 C33 C91 134(3) 6_565 6_565 ?
C32 C33 C91 77.9(16) . 6_565 ?
C75 C33 C90 153(3) 6_565 6_565 ?
C74 C33 C90 108.9(19) 6_565 6_565 ?
C17 C33 C90 20.2(12) . 6_565 ?
C34 C33 C90 109.9(14) . 6_565 ?
C18 C33 C90 90.8(17) 6_565 6_565 ?
C32 C33 C90 125.0(17) . 6_565 ?
C91 C33 C90 47.2(10) 6_565 6_565 ?
C75 C33 Y6 86(3) 6_565 . ?
C74 C33 Y6 62.0(19) 6_565 . ?
C17 C33 Y6 95.5(16) . . ?
C34 C33 Y6 104(2) . . ?
C18 C33 Y6 97(2) 6_565 . ?
C32 C33 Y6 74.0(15) . . ?
C91 C33 Y6 59.3(14) 6_565 . ?
C90 C33 Y6 75.6(12) 6_565 . ?
C75 C33 Y7 65(2) 6_565 . ?
C74 C33 Y7 49.7(18) 6_565 . ?
C17 C33 Y7 118.5(16) . . ?
C34 C33 Y7 99(2) . . ?
C18 C33 Y7 100(2) 6_565 . ?
C32 C33 Y7 57.0(14) . . ?
C91 C33 Y7 73.8(13) 6_565 . ?
C90 C33 Y7 98.5(11) 6_565 . ?
Y6 C33 Y7 23.1(7) . . ?
C18 C34 C55 121(9) 6_565 . ?
C18 C34 C75 121(8) 6_565 6_565 ?
C55 C34 C75 86(3) . 6_565 ?
C18 C34 C33 84(5) 6_565 . ?
C55 C34 C33 130(4) . . ?
C75 C34 C33 45.9(17) 6_565 . ?
C18 C34 C35 27(5) 6_565 . ?
C55 C34 C35 105(3) . . ?
C75 C34 C35 146(4) 6_565 . ?
C33 C34 C35 109.3(14) . . ?
C18 C34 C56 83(5) 6_565 6_565 ?
C55 C34 C56 43.8(15) . 6_565 ?
C75 C34 C56 126(4) 6_565 6_565 ?
C33 C34 C56 152(4) . 6_565 ?
C35 C34 C56 62.3(18) . 6_565 ?
C18 C34 C76 14(6) 6_565 6_565 ?
C55 C34 C76 134(3) . 6_565 ?
C75 C34 C76 116(2) 6_565 6_565 ?
C33 C34 C76 73.8(13) . 6_565 ?
C35 C34 C76 35.7(11) . 6_565 ?
C56 C34 C76 95.5(19) 6_565 6_565 ?
C18 C34 Y6 71(8) 6_565 . ?
C55 C34 Y6 95(3) . . ?
C75 C34 Y6 53(3) 6_565 . ?
C33 C34 Y6 48.8(17) . . ?
C35 C34 Y6 93(2) . . ?
C56 C34 Y6 104(3) 6_565 . ?
C76 C34 Y6 72.2(15) 6_565 . ?
C18 C35 C76 88(2) 6_565 6_565 ?
C18 C35 C92 96(2) 6_565 . ?
C76 C35 C92 14.9(19) 6_565 . ?
C18 C35 C34 12(3) 6_565 . ?
C76 C35 C34 100(2) 6_565 . ?
C92 C35 C34 106.1(14) . . ?
C18 C35 C36 138(3) 6_565 . ?
C76 C35 C36 116(3) 6_565 . ?
C92 C35 C36 116(3) . . ?
C34 C35 C36 133(3) . . ?
C18 C35 C56 70(2) 6_565 6_565 ?
C76 C35 C56 151(3) 6_565 6_565 ?
C92 C35 C56 164(2) . 6_565 ?
C34 C35 C56 60.8(18) . 6_565 ?
C36 C35 C56 74(2) . 6_565 ?
C18 C35 C77 149(3) 6_565 6_565 ?
C76 C35 C77 63.3(18) 6_565 6_565 ?
C92 C35 C77 59.9(16) . 6_565 ?
C34 C35 C77 161(2) . 6_565 ?
C36 C35 C77 56(2) . 6_565 ?
C56 C35 C77 130(2) 6_565 6_565 ?
C18 C35 C55 41(2) 6_565 . ?
C76 C35 C55 127(2) 6_565 . ?
C92 C35 C55 136.7(16) . . ?
C34 C35 C55 32.6(15) . . ?
C36 C35 C55 101(2) . . ?
C56 C35 C55 28.8(10) 6_565 . ?
C77 C35 C55 153(2) 6_565 . ?
C58 C36 C57 98(4) 6_565 . ?
C58 C36 C35 149(5) 6_565 . ?
C57 C36 C35 113(3) . . ?
C58 C36 C77 81(4) 6_565 6_565 ?
C57 C36 C77 167(3) . 6_565 ?
C35 C36 C77 69(2) . 6_565 ?
C58 C36 C37 25(3) 6_565 . ?
C57 C36 C37 117(3) . . ?
C35 C36 C37 127(3) . . ?
C77 C36 C37 58(2) 6_565 . ?
C58 C36 C56 156(4) 6_565 6_565 ?
C57 C36 C56 58.4(19) . 6_565 ?
C35 C36 C56 55(2) . 6_565 ?
C77 C36 C56 123(3) 6_565 6_565 ?
C37 C36 C56 169(2) . 6_565 ?
C58 C37 C59 100(4) 6_565 6_565 ?
C58 C37 C19 134(4) 6_565 . ?
C59 C37 C19 123(4) 6_565 . ?
C58 C37 C77 74(3) 6_565 6_565 ?
C59 C37 C77 166(4) 6_565 6_565 ?
C19 C37 C77 60(2) . 6_565 ?
C58 C37 C38 105(4) 6_565 . ?
C59 C37 C38 5(2) 6_565 . ?
C19 C37 C38 119(4) . . ?
C77 C37 C38 167(3) 6_565 . ?
C58 C37 C36 18(2) 6_565 . ?
C59 C37 C36 114(4) 6_565 . ?
C19 C37 C36 116(3) . . ?
C77 C37 C36 57(2) 6_565 . ?
C38 C37 C36 119(3) . . ?
C58 C37 C60 150(4) 6_565 6_565 ?
C59 C37 C60 52(2) 6_565 6_565 ?
C19 C37 C60 72(3) . 6_565 ?
C77 C37 C60 131(3) 6_565 6_565 ?
C38 C37 C60 46.9(17) . 6_565 ?
C36 C37 C60 155(2) . 6_565 ?
C58 C37 C78 124(3) 6_565 6_565 ?
C59 C37 C78 132(4) 6_565 6_565 ?
C19 C37 C78 10.1(19) . 6_565 ?
C77 C37 C78 50.9(18) 6_565 6_565 ?
C38 C37 C78 127(3) . 6_565 ?
C36 C37 C78 106(2) . 6_565 ?
C60 C37 C78 80(2) 6_565 6_565 ?
C58 C37 Y8 109(3) 6_565 . ?
C59 C37 Y8 73(3) 6_565 . ?
C19 C37 Y8 75.0(18) . . ?
C77 C37 Y8 96.8(17) 6_565 . ?
C38 C37 Y8 70.7(19) . . ?
C36 C37 Y8 100.3(14) . . ?
C60 C37 Y8 57.4(10) 6_565 . ?
C78 C37 Y8 75.3(13) 6_565 . ?
C59 C38 C38 126(8) 6_565 6_565 ?
C59 C38 C60 88(7) 6_565 6_565 ?
C38 C38 C60 139.2(13) 6_565 6_565 ?
C59 C38 C39 131(8) 6_565 . ?
C38 C38 C39 94.3(13) 6_565 . ?
C60 C38 C39 45.4(19) 6_565 . ?
C59 C38 C59 111(9) 6_565 . ?
C38 C38 C59 16(2) 6_565 . ?
C60 C38 C59 150(3) 6_565 . ?
C39 C38 C59 107.7(14) . . ?
C59 C38 C37 11(6) 6_565 . ?
C38 C38 C37 136(2) 6_565 . ?
C60 C38 C37 77(3) 6_565 . ?
C39 C38 C37 120(3) . . ?
C59 C38 C37 120(4) . . ?
C59 C38 C39 156(10) 6_565 6_565 ?
C38 C38 C39 49.5(10) 6_565 6_565 ?
C60 C38 C39 90.0(12) 6_565 6_565 ?
C39 C38 C39 44.9(14) . 6_565 ?
C59 C38 C39 63.3(14) . 6_565 ?
C37 C38 C39 153(3) . 6_565 ?
C59 C38 C40 131(8) 6_565 6_565 ?
C38 C38 C40 93.3(11) 6_565 6_565 ?
C60 C38 C40 46.4(9) 6_565 6_565 ?
C39 C38 C40 1.4(17) . 6_565 ?
C59 C38 C40 106.5(17) . 6_565 ?
C37 C38 C40 121(3) . 6_565 ?
C39 C38 C40 43.8(5) 6_565 6_565 ?
C59 C38 C58 17(7) 6_565 6_565 ?
C38 C38 C58 108.8(11) 6_565 6_565 ?
C60 C38 C58 104(2) 6_565 6_565 ?
C39 C38 C58 143(3) . 6_565 ?
C59 C38 C58 93(3) . 6_565 ?
C37 C38 C58 27.9(19) . 6_565 ?
C39 C38 C58 147(3) 6_565 6_565 ?
C40 C38 C58 143(3) 6_565 6_565 ?
C59 C38 Y8 80(10) 6_565 . ?
C38 C38 Y8 99.9(8) 6_565 . ?
C60 C38 Y8 60.9(19) 6_565 . ?
C39 C38 Y8 64(2) . . ?
C59 C38 Y8 98(4) . . ?
C37 C38 Y8 75(2) . . ?
C39 C38 Y8 78.0(16) 6_565 . ?
C40 C38 Y8 63.6(14) 6_565 . ?
C58 C38 Y8 83.3(19) 6_565 . ?
C59 C38 Y8 105(10) 6_565 6_565 ?
C38 C38 Y8 58.6(8) 6_565 6_565 ?
C60 C38 Y8 95(2) 6_565 6_565 ?
C39 C38 Y8 71.1(18) . 6_565 ?
C59 C38 Y8 59(3) . 6_565 ?
C37 C38 Y8 105(2) . 6_565 ?
C39 C38 Y8 52.0(14) 6_565 6_565 ?
C40 C38 Y8 69.7(14) 6_565 6_565 ?
C58 C38 Y8 97(2) 6_565 6_565 ?
C59 C38 Y3 101(10) 6_565 . ?
C38 C38 Y3 79.9(6) 6_565 . ?
C60 C38 Y3 71.3(18) 6_565 . ?
C39 C38 Y3 55.2(19) . . ?
C59 C38 Y3 82(3) . . ?
C37 C38 Y3 97(2) . . ?
C39 C38 Y3 56.0(13) 6_565 . ?
C40 C38 Y3 54.0(13) 6_565 . ?
C58 C38 Y3 100(2) 6_565 . ?
Y8 C38 Y3 22.9(6) . . ?
Y8 C38 Y3 23.7(5) 6_565 . ?
C40 C39 C60 119(5) 6_565 6_565 ?
C40 C39 C39 91(4) 6_565 6_565 ?
C60 C39 C39 149.0(19) 6_565 6_565 ?
C40 C39 C21 58(4) 6_565 . ?
C60 C39 C21 62(2) 6_565 . ?
C39 C39 C21 144.6(15) 6_565 . ?
C40 C39 C38 175(6) 6_565 . ?
C60 C39 C38 64(3) 6_565 . ?
C39 C39 C38 85.7(13) 6_565 . ?
C21 C39 C38 125(3) . . ?
C40 C39 C40 68(5) 6_565 . ?
C60 C39 C40 169(4) 6_565 . ?
C39 C39 C40 23.1(11) 6_565 . ?
C21 C39 C40 123(2) . . ?
C38 C39 C40 108.7(13) . . ?
C40 C39 C59 169(6) 6_565 6_565 ?
C60 C39 C59 53.6(13) 6_565 6_565 ?
C39 C39 C59 95.7(14) 6_565 6_565 ?
C21 C39 C59 113(2) . 6_565 ?
C38 C39 C59 12(2) . 6_565 ?
C40 C39 C59 118(2) . 6_565 ?
C40 C39 C38 140(5) 6_565 6_565 ?
C60 C39 C38 100.1(16) 6_565 6_565 ?
C39 C39 C38 49.5(10) 6_565 6_565 ?
C21 C39 C38 156(2) . 6_565 ?
C38 C39 C38 36.2(18) . 6_565 ?
C40 C39 C38 72.5(17) . 6_565 ?
C59 C39 C38 46.6(7) 6_565 6_565 ?
C40 C39 C41 22(5) 6_565 6_565 ?
C60 C39 C41 109(2) 6_565 6_565 ?
C39 C39 C41 94.7(10) 6_565 6_565 ?
C21 C39 C41 50.0(14) . 6_565 ?
C38 C39 C41 155(3) . 6_565 ?
C40 C39 C41 73.3(16) . 6_565 ?
C59 C39 C41 147(2) 6_565 6_565 ?
C38 C39 C41 137.8(19) 6_565 6_565 ?
C40 C39 Y8 95(6) 6_565 . ?
C60 C39 Y8 72(2) 6_565 . ?
C39 C39 Y8 98.2(7) 6_565 . ?
C21 C39 Y8 71.7(16) . . ?
C38 C39 Y8 82(2) . . ?
C40 C39 Y8 100(2) . . ?
C59 C39 Y8 74.8(18) 6_565 . ?
C38 C39 Y8 89.1(18) 6_565 . ?
C41 C39 Y8 72.8(12) 6_565 . ?
C40 C39 Y3 78(5) 6_565 . ?
C60 C39 Y3 101(2) 6_565 . ?
C39 C39 Y3 75.4(5) 6_565 . ?
C21 C39 Y3 82.0(15) . . ?
C38 C39 Y3 98(2) . . ?
C40 C39 Y3 71(2) . . ?
C59 C39 Y3 95(2) 6_565 . ?
C38 C39 Y3 87.7(18) 6_565 . ?
C41 C39 Y3 58.1(10) 6_565 . ?
Y8 C39 Y3 29.0(6) . . ?
C40 C39 Y2 83(6) 6_565 . ?
C60 C39 Y2 72.2(19) 6_565 . ?
C39 C39 Y2 104.9(5) 6_565 . ?
C21 C39 Y2 59.7(14) . . ?
C38 C39 Y2 94(2) . . ?
C40 C39 Y2 101(2) . . ?
C59 C39 Y2 85.8(18) 6_565 . ?
C38 C39 Y2 102.2(18) 6_565 . ?
C41 C39 Y2 61.3(10) 6_565 . ?
Y8 C39 Y2 13.3(4) . . ?
Y3 C39 Y2 30.2(4) . . ?
C39 C40 C21 99(5) 6_565 6_565 ?
C39 C40 C40 89(4) 6_565 6_565 ?
C21 C40 C40 161.4(18) 6_565 6_565 ?
C39 C40 C41 149(7) 6_565 . ?
C21 C40 C41 68.4(19) 6_565 . ?
C40 C40 C41 96.2(11) 6_565 . ?
C39 C40 C60 41(4) 6_565 . ?
C21 C40 C60 58.1(19) 6_565 . ?
C40 C40 C60 129.6(11) 6_565 . ?
C41 C40 C60 122(2) . . ?
C39 C40 C39 66(4) 6_565 . ?
C21 C40 C39 158(3) 6_565 . ?
C40 C40 C39 23.1(11) 6_565 . ?
C41 C40 C39 116(2) . . ?
C60 C40 C39 106.7(13) . . ?
C39 C40 C38 4(4) 6_565 6_565 ?
C21 C40 C38 100(2) 6_565 6_565 ?
C40 C40 C38 86.7(11) 6_565 6_565 ?
C41 C40 C38 147(3) . 6_565 ?
C60 C40 C38 43.2(14) . 6_565 ?
C39 C40 C38 63.7(16) . 6_565 ?
C39 C40 C41 125(5) 6_565 6_565 ?
C21 C40 C41 121(2) 6_565 6_565 ?
C40 C40 C41 42.8(7) 6_565 6_565 ?
C41 C40 C41 53.5(13) . 6_565 ?
C60 C40 C41 151(2) . 6_565 ?
C39 C40 C41 63.5(15) . 6_565 ?
C38 C40 C41 121.9(17) 6_565 6_565 ?
C39 C40 C22 131(6) 6_565 6_565 ?
C21 C40 C22 43.6(14) 6_565 6_565 ?
C40 C40 C22 119.6(10) 6_565 6_565 ?
C41 C40 C22 25.5(12) . 6_565 ?
C60 C40 C22 96.9(17) . 6_565 ?
C39 C40 C22 135(3) . 6_565 ?
C38 C40 C22 131(2) 6_565 6_565 ?
C41 C40 C22 77.4(10) 6_565 6_565 ?
C39 C40 Y8 72(6) 6_565 6_565 ?
C21 C40 Y8 69.3(18) 6_565 6_565 ?
C40 C40 Y8 97.7(7) 6_565 6_565 ?
C41 C40 Y8 77.2(16) . 6_565 ?
C60 C40 Y8 64.7(13) . 6_565 ?
C39 C40 Y8 90(2) . 6_565 ?
C38 C40 Y8 70.0(17) 6_565 6_565 ?
C41 C40 Y8 87.5(13) 6_565 6_565 ?
C22 C40 Y8 66.2(15) 6_565 6_565 ?
C39 C40 Y3 90(6) 6_565 . ?
C21 C40 Y3 88(2) 6_565 . ?
C40 C40 Y3 74.9(5) 6_565 . ?
C41 C40 Y3 62.6(15) . . ?
C60 C40 Y3 93.5(16) . . ?
C39 C40 Y3 76(2) . . ?
C38 C40 Y3 87.0(17) 6_565 . ?
C41 C40 Y3 58.3(9) 6_565 . ?
C22 C40 Y3 64.7(15) 6_565 . ?
Y8 C40 Y3 29.2(6) 6_565 . ?
C39 C40 Y2 85(6) 6_565 6_565 ?
C21 C40 Y2 59.6(17) 6_565 6_565 ?
C40 C40 Y2 104.8(5) 6_565 6_565 ?
C41 C40 Y2 63.9(14) . 6_565 ?
C60 C40 Y2 70.4(14) . 6_565 ?
C39 C40 Y2 102(2) . 6_565 ?
C38 C40 Y2 83.6(17) 6_565 6_565 ?
C41 C40 Y2 84.6(11) 6_565 6_565 ?
C22 C40 Y2 51.5(14) 6_565 6_565 ?
C42 C41 C22 92(2) 6_565 6_565 ?
C42 C41 C40 144(3) 6_565 . ?
C22 C41 C40 118(2) 6_565 . ?
C42 C41 C42 25(2) 6_565 . ?
C22 C41 C42 116(3) 6_565 . ?
C40 C41 C42 119.3(18) . . ?
C42 C41 C21 157(3) 6_565 6_565 ?
C22 C41 C21 69(2) 6_565 6_565 ?
C40 C41 C21 49.9(16) . 6_565 ?
C42 C41 C21 162(2) . 6_565 ?
C42 C41 C63 95(2) 6_565 . ?
C22 C41 C63 5(3) 6_565 . ?
C40 C41 C63 115.8(15) . . ?
C42 C41 C63 120.1(16) . . ?
C21 C41 C63 66.2(14) 6_565 . ?
C42 C41 C41 61(2) 6_565 6_565 ?
C22 C41 C41 150(2) 6_565 6_565 ?
C40 C41 C41 83.8(11) . 6_565 ?
C42 C41 C41 36.2(11) . 6_565 ?
C21 C41 C41 132.6(12) 6_565 6_565 ?
C63 C41 C41 154.4(9) . 6_565 ?
C42 C41 C39 142(3) 6_565 6_565 ?
C22 C41 C39 113(2) 6_565 6_565 ?
C40 C41 C39 8.9(19) . 6_565 ?
C42 C41 C39 119.2(17) . 6_565 ?
C21 C41 C39 47.4(10) 6_565 6_565 ?
C63 C41 C39 111.6(14) . 6_565 ?
C41 C41 C39 85.3(10) 6_565 6_565 ?
C42 C41 C40 104(2) 6_565 6_565 ?
C22 C41 C40 153(3) 6_565 6_565 ?
C40 C41 C40 41.0(14) . 6_565 ?
C42 C41 C40 78.6(15) . 6_565 ?
C21 C41 C40 90.4(12) 6_565 6_565 ?
C63 C41 C40 153.2(15) . 6_565 ?
C41 C41 C40 42.8(7) 6_565 6_565 ?
C39 C41 C40 43.2(7) 6_565 6_565 ?
C42 C41 Y3 74(2) 6_565 . ?
C22 C41 Y3 91(3) 6_565 . ?
C40 C41 Y3 84.9(16) . . ?
C42 C41 Y3 68.8(13) . . ?
C21 C41 Y3 94.0(13) 6_565 . ?
C63 C41 Y3 95.3(13) . . ?
C41 C41 Y3 69.0(5) 6_565 . ?
C39 C41 Y3 77.2(11) 6_565 . ?
C40 C41 Y3 72.7(12) 6_565 . ?
C42 C41 Y8 100(2) 6_565 6_565 ?
C22 C41 Y8 75(3) 6_565 6_565 ?
C40 C41 Y8 70.8(16) . 6_565 ?
C42 C41 Y8 98.6(15) . 6_565 ?
C21 C41 Y8 64.7(11) 6_565 6_565 ?
C63 C41 Y8 78.5(13) . 6_565 ?
C41 C41 Y8 94.1(7) 6_565 6_565 ?
C39 C41 Y8 62.0(11) 6_565 6_565 ?
C40 C41 Y8 79.8(12) 6_565 6_565 ?
C42 C41 Y2 91(2) 6_565 6_565 ?
C22 C41 Y2 61(3) 6_565 6_565 ?
C40 C41 Y2 86.9(16) . 6_565 ?
C42 C41 Y2 96.9(14) . 6_565 ?
C21 C41 Y2 69.5(11) 6_565 6_565 ?
C63 C41 Y2 64.2(12) . 6_565 ?
C41 C41 Y2 103.0(5) 6_565 6_565 ?
C39 C41 Y2 78.1(11) 6_565 6_565 ?
C40 C41 Y2 96.4(12) 6_565 6_565 ?
C42 C42 C41 119(2) 6_565 6_565 ?
C42 C42 C22 159.3(14) 6_565 . ?
C41 C42 C22 44(2) 6_565 . ?
C42 C42 C43 89.8(12) 6_565 . ?
C41 C42 C43 148(3) 6_565 . ?
C22 C42 C43 104(2) . . ?
C42 C42 C41 36.2(11) 6_565 . ?
C41 C42 C41 82(3) 6_565 . ?
C22 C42 C41 125.1(19) . . ?
C43 C42 C41 124.4(18) . . ?
C42 C42 C43 64.3(12) 6_565 6_565 ?
C41 C42 C43 166(3) 6_565 6_565 ?
C22 C42 C43 129(2) . 6_565 ?
C43 C42 C43 25.5(17) . 6_565 ?
C41 C42 C43 99.3(18) . 6_565 ?
C42 C42 C63 167.1(10) 6_565 6_565 ?
C41 C42 C63 52.8(18) 6_565 6_565 ?
C22 C42 C63 8.7(13) . 6_565 ?
C43 C42 C63 96.5(16) . 6_565 ?
C41 C42 C63 133.9(18) . 6_565 ?
C43 C42 C63 121.4(15) 6_565 6_565 ?
C42 C42 C22 13.9(10) 6_565 6_565 ?
C41 C42 C22 107(2) 6_565 6_565 ?
C22 C42 C22 145(2) . 6_565 ?
C43 C42 C22 99.2(15) . 6_565 ?
C41 C42 C22 25.2(12) . 6_565 ?
C43 C42 C22 74.1(15) 6_565 6_565 ?
C63 C42 C22 153.4(15) 6_565 6_565 ?
C42 C42 Y3 80.9(6) 6_565 . ?
C41 C42 Y3 81(2) 6_565 . ?
C22 C42 Y3 84(2) . . ?
C43 C42 Y3 89.4(13) . . ?
C41 C42 Y3 73.7(13) . . ?
C43 C42 Y3 85.6(12) 6_565 . ?
C63 C42 Y3 87.9(13) 6_565 . ?
C22 C42 Y3 71.0(13) 6_565 . ?
C42 C42 Y2 112.3(5) 6_565 . ?
C41 C42 Y2 68.2(19) 6_565 . ?
C22 C42 Y2 54.2(19) . . ?
C43 C42 Y2 88.0(13) . . ?
C41 C42 Y2 100.3(15) . . ?
C43 C42 Y2 97.6(12) 6_565 . ?
C63 C42 Y2 56.9(10) 6_565 . ?
C22 C42 Y2 102.3(14) 6_565 . ?
Y3 C42 Y2 31.5(3) . . ?
C42 C42 Y8 103.0(6) 6_565 . ?
C41 C42 Y8 60.6(19) 6_565 . ?
C22 C42 Y8 59.9(18) . . ?
C43 C42 Y8 100.6(14) . . ?
C41 C42 Y8 85.6(14) . . ?
C43 C42 Y8 105.3(12) 6_565 . ?
C63 C42 Y8 64.8(11) 6_565 . ?
C22 C42 Y8 91.2(13) 6_565 . ?
Y3 C42 Y8 24.8(4) . . ?
Y2 C42 Y8 15.5(3) . . ?
C42 C42 Y2 55.5(4) 6_565 6_565 ?
C41 C42 Y2 96(2) 6_565 6_565 ?
C22 C42 Y2 109(2) . 6_565 ?
C43 C42 Y2 88.1(12) . 6_565 ?
C41 C42 Y2 55.2(12) . 6_565 ?
C43 C42 Y2 74.1(12) 6_565 6_565 ?
C63 C42 Y2 113.2(13) 6_565 6_565 ?
C22 C42 Y2 46.5(12) 6_565 6_565 ?
C43 C43 C64 134(2) 6_565 6_565 ?
C43 C43 C42 90.2(12) 6_565 . ?
C64 C43 C42 136(3) 6_565 . ?
C43 C43 C64 26.1(10) 6_565 . ?
C64 C43 C64 108(3) 6_565 . ?
C42 C43 C64 116.2(16) . . ?
C43 C43 C23 138.7(12) 6_565 . ?
C64 C43 C23 21(3) 6_565 . ?
C42 C43 C23 127.3(19) . . ?
C64 C43 C23 114.9(17) . . ?
C43 C43 C42 64.3(11) 6_565 6_565 ?
C64 C43 C42 161(3) 6_565 6_565 ?
C42 C43 C42 26.0(16) . 6_565 ?
C64 C43 C42 90.2(16) . 6_565 ?
C23 C43 C42 151.0(19) . 6_565 ?
C43 C43 C65 170.8(9) 6_565 6_565 ?
C64 C43 C65 54(2) 6_565 6_565 ?
C42 C43 C65 82.9(15) . 6_565 ?
C64 C43 C65 160.8(16) . 6_565 ?
C23 C43 C65 46.0(12) . 6_565 ?
C42 C43 C65 108.7(15) 6_565 6_565 ?
C43 C43 C23 28.7(8) 6_565 6_565 ?
C64 C43 C23 108(2) 6_565 6_565 ?
C42 C43 C23 116.5(15) . 6_565 ?
C64 C43 C23 13.6(17) . 6_565 ?
C23 C43 C23 109.9(18) . 6_565 ?
C42 C43 C23 91.0(15) 6_565 6_565 ?
C65 C43 C23 154.1(13) 6_565 6_565 ?
C43 C43 Y3 82.5(5) 6_565 . ?
C64 C43 Y3 123(3) 6_565 . ?
C42 C43 Y3 57.3(11) . . ?
C64 C43 Y3 99.2(17) . . ?
C23 C43 Y3 102.4(11) . . ?
C42 C43 Y3 57.1(10) 6_565 . ?
C65 C43 Y3 88.6(11) 6_565 . ?
C23 C43 Y3 88.2(8) 6_565 . ?
C43 C43 Y9 111.8(11) 6_565 . ?
C64 C43 Y9 71(3) 6_565 . ?
C42 C43 Y9 100.6(17) . . ?
C64 C43 Y9 107(2) . . ?
C23 C43 Y9 51.3(10) . . ?
C42 C43 Y9 109.2(14) 6_565 . ?
C65 C43 Y9 63.9(15) 6_565 . ?
C23 C43 Y9 94.2(14) 6_565 . ?
Y3 C43 Y9 52.6(8) . . ?
C43 C43 Y2 110.0(4) 6_565 . ?
C64 C43 Y2 98(3) 6_565 . ?
C42 C43 Y2 63.8(12) . . ?
C64 C43 Y2 122.8(18) . . ?
C23 C43 Y2 78.4(10) . . ?
C42 C43 Y2 75.6(10) 6_565 . ?
C65 C43 Y2 61.4(10) 6_565 . ?
C23 C43 Y2 109.9(8) 6_565 . ?
Y3 C43 Y2 28.0(2) . . ?
Y9 C43 Y2 36.9(11) . . ?
C24 C44 C23 132(5) 6_565 6_565 ?
C24 C44 C67 61(5) 6_565 . ?
C23 C44 C67 76(2) 6_565 . ?
C24 C44 C64 151(9) 6_565 . ?
C23 C44 C64 30(2) 6_565 . ?
C67 C44 C64 105.3(12) . . ?
C24 C44 C45 77(3) 6_565 . ?
C23 C44 C45 151(3) 6_565 . ?
C67 C44 C45 131(2) . . ?
C64 C44 C45 123.5(18) . . ?
C24 C44 C25 33(7) 6_565 6_565 ?
C23 C44 C25 115(3) 6_565 6_565 ?
C67 C44 C25 40.3(14) . 6_565 ?
C64 C44 C25 145.2(16) . 6_565 ?
C45 C44 C25 90.6(16) . 6_565 ?
C24 C44 Y9 107(9) 6_565 6_565 ?
C23 C44 Y9 70(3) 6_565 6_565 ?
C67 C44 Y9 66(3) . 6_565 ?
C64 C44 Y9 88(2) . 6_565 ?
C45 C44 Y9 107(3) . 6_565 ?
C25 C44 Y9 74.6(18) 6_565 6_565 ?
C24 C45 C24 134(2) . 6_565 ?
C24 C45 C44 116.1(19) . . ?
C24 C45 C44 18.3(14) 6_565 . ?
C24 C45 C44 18.3(14) . 6_565 ?
C24 C45 C44 116.1(19) 6_565 6_565 ?
C44 C45 C44 98(2) . 6_565 ?
C24 C45 C46 132(2) . . ?
C24 C45 C46 88.0(16) 6_565 . ?
C44 C45 C46 102.7(17) . . ?
C44 C45 C46 142(2) 6_565 . ?
C24 C45 C46 88.0(16) . 6_565 ?
C24 C45 C46 132(2) 6_565 6_565 ?
C44 C45 C46 142(2) . 6_565 ?
C44 C45 C46 102.7(17) 6_565 6_565 ?
C46 C45 C46 45(2) . 6_565 ?
C47 C46 C46 82(3) 6_565 6_565 ?
C47 C46 C26 63(3) 6_565 6_565 ?
C46 C46 C26 142.8(19) 6_565 6_565 ?
C47 C46 C69 74(2) 6_565 . ?
C46 C46 C69 151.4(12) 6_565 . ?
C26 C46 C69 11.2(18) 6_565 . ?
C47 C46 C47 33(3) 6_565 . ?
C46 C46 C47 49.0(12) 6_565 . ?
C26 C46 C47 95(2) 6_565 . ?
C69 C46 C47 105.5(13) . . ?
C47 C46 C45 146(3) 6_565 . ?
C46 C46 C45 67.7(11) 6_565 . ?
C26 C46 C45 141(2) 6_565 . ?
C69 C46 C45 130(3) . . ?
C47 C46 C45 115(2) . . ?
C47 C46 C25 116(3) 6_565 6_565 ?
C46 C46 C25 153.2(11) 6_565 6_565 ?
C26 C46 C25 53.3(16) 6_565 6_565 ?
C69 C46 C25 42.2(17) . 6_565 ?
C47 C46 C25 144.7(17) . 6_565 ?
C45 C46 C25 89.4(16) . 6_565 ?
C47 C46 C24 155(3) 6_565 6_565 ?
C46 C46 C24 111.5(11) 6_565 6_565 ?
C26 C46 C24 98(2) 6_565 6_565 ?
C69 C46 C24 87(2) . 6_565 ?
C47 C46 C24 153(2) . 6_565 ?
C45 C46 C24 44.5(11) . 6_565 ?
C25 C46 C24 45.1(11) 6_565 6_565 ?
C47 C47 C46 98(3) 6_565 6_565 ?
C47 C47 C26 161.7(17) 6_565 . ?
C46 C47 C26 67(3) 6_565 . ?
C47 C47 C48 82(2) 6_565 6_565 ?
C46 C47 C48 156(3) 6_565 6_565 ?
C26 C47 C48 106(3) . 6_565 ?
C47 C47 C48 65.3(12) 6_565 . ?
C46 C47 C48 151(3) 6_565 . ?
C26 C47 C48 122(2) . . ?
C48 C47 C48 17(3) 6_565 . ?
C47 C47 C46 49.0(12) 6_565 . ?
C46 C47 C46 49(3) 6_565 . ?
C26 C47 C46 116(2) . . ?
C48 C47 C46 126(2) 6_565 . ?
C48 C47 C46 110.4(13) . . ?
C47 C47 C69 156(2) 6_565 6_565 ?
C46 C47 C69 63(2) 6_565 6_565 ?
C26 C47 C69 6(3) . 6_565 ?
C48 C47 C69 109(2) 6_565 6_565 ?
C48 C47 C69 125(2) . 6_565 ?
C46 C47 C69 111(3) . 6_565 ?
C47 C47 C70 135.9(15) 6_565 6_565 ?
C46 C47 C70 114(3) 6_565 6_565 ?
C26 C47 C70 49.7(18) . 6_565 ?
C48 C47 C70 56.4(12) 6_565 6_565 ?
C48 C47 C70 73(2) . 6_565 ?
C46 C47 C70 149(2) . 6_565 ?
C69 C47 C70 53.3(14) 6_565 6_565 ?
C48 C48 C49 101(2) 6_565 6_565 ?
C48 C48 C47 98(2) 6_565 6_565 ?
C49 C48 C47 155(3) 6_565 6_565 ?
C48 C48 C70 162.7(13) 6_565 . ?
C49 C48 C70 84(2) 6_565 . ?
C47 C48 C70 73(2) 6_565 . ?
C48 C48 C49 62.3(15) 6_565 . ?
C49 C48 C49 39(2) 6_565 . ?
C47 C48 C49 155(3) 6_565 . ?
C70 C48 C49 121(2) . . ?
C48 C48 C47 65.3(12) 6_565 . ?
C49 C48 C47 159(2) 6_565 . ?
C47 C48 C47 33(2) 6_565 . ?
C70 C48 C47 104.5(13) . . ?
C49 C48 C47 125(2) . . ?
C48 C48 C70 13.4(9) 6_565 6_565 ?
C49 C48 C70 105(2) 6_565 6_565 ?
C47 C48 C70 91(2) 6_565 6_565 ?
C70 C48 C70 149(2) . 6_565 ?
C49 C48 C70 66.9(16) . 6_565 ?
C47 C48 C70 58.5(16) . 6_565 ?
C48 C48 C28 139.2(11) 6_565 6_565 ?
C49 C48 C28 40.5(17) 6_565 6_565 ?
C47 C48 C28 116(3) 6_565 6_565 ?
C70 C48 C28 43.8(14) . 6_565 ?
C49 C48 C28 78.3(17) . 6_565 ?
C47 C48 C28 144.5(15) . 6_565 ?
C70 C48 C28 137.4(15) 6_565 6_565 ?
C49 C49 C50 85(2) 6_565 6_565 ?
C49 C49 C48 79(2) 6_565 6_565 ?
C50 C49 C48 161(4) 6_565 6_565 ?
C49 C49 C28 163.4(14) 6_565 . ?
C50 C49 C28 93(3) 6_565 . ?
C48 C49 C28 100(2) 6_565 . ?
C49 C49 C48 62.3(15) 6_565 . ?
C50 C49 C48 146(3) 6_565 . ?
C48 C49 C48 17(3) 6_565 . ?
C28 C49 C48 116(3) . . ?
C49 C49 C50 56.8(14) 6_565 . ?
C50 C49 C50 28(3) 6_565 . ?
C48 C49 C50 135(3) 6_565 . ?
C28 C49 C50 119(2) . . ?
C48 C49 C50 118(2) . . ?
C49 C49 C71 134.6(17) 6_565 6_565 ?
C50 C49 C71 54.5(15) 6_565 6_565 ?
C48 C49 C71 135(3) 6_565 6_565 ?
C28 C49 C71 38.4(18) . 6_565 ?
C48 C49 C71 147(3) . 6_565 ?
C50 C49 C71 81(2) . 6_565 ?
C49 C49 C70 127.4(12) 6_565 6_565 ?
C50 C49 C70 139(3) 6_565 6_565 ?
C48 C49 C70 50.8(13) 6_565 6_565 ?
C28 C49 C70 49.1(16) . 6_565 ?
C48 C49 C70 67(2) . 6_565 ?
C50 C49 C70 157.8(18) . 6_565 ?
C71 C49 C70 86(2) 6_565 6_565 ?
C49 C49 C84 155.4(13) 6_565 6_565 ?
C50 C49 C84 98(2) 6_565 6_565 ?
C48 C49 C84 92(2) 6_565 6_565 ?
C28 C49 C84 9.9(17) . 6_565 ?
C48 C49 C84 107(2) . 6_565 ?
C50 C49 C84 123(2) . 6_565 ?
C71 C49 C84 44.0(12) 6_565 6_565 ?
C70 C49 C84 41.9(10) 6_565 6_565 ?
C49 C49 Y4 98.4(6) 6_565 . ?
C50 C49 Y4 57.9(12) 6_565 . ?
C48 C49 Y4 113.9(15) 6_565 . ?
C28 C49 Y4 66.7(13) . . ?
C48 C49 Y4 114.0(13) . . ?
C50 C49 Y4 67.8(12) . . ?
C71 C49 Y4 45.6(18) 6_565 . ?
C70 C49 Y4 90.2(12) 6_565 . ?
C84 C49 Y4 64.1(12) 6_565 . ?
C50 C50 C49 95(2) 6_565 6_565 ?
C50 C50 C71 158(2) 6_565 . ?
C49 C50 C71 79(3) 6_565 . ?
C50 C50 C49 56.8(14) 6_565 . ?
C49 C50 C49 38(3) 6_565 . ?
C71 C50 C49 115(2) . . ?
C50 C50 C51 91.3(15) 6_565 6_565 ?
C49 C50 C51 154(2) 6_565 6_565 ?
C71 C50 C51 85(2) . 6_565 ?
C49 C50 C51 140(2) . 6_565 ?
C50 C50 C51 66.3(14) 6_565 . ?
C49 C50 C51 149(2) 6_565 . ?
C71 C50 C51 108(2) . . ?
C49 C50 C51 118(2) . . ?
C51 C50 C51 25(2) 6_565 . ?
C50 C50 C28 138.1(13) 6_565 6_565 ?
C49 C50 C28 45(2) 6_565 6_565 ?
C71 C50 C28 34.1(16) . 6_565 ?
C49 C50 C28 82.8(17) . 6_565 ?
C51 C50 C28 118(2) 6_565 6_565 ?
C51 C50 C28 138.1(18) . 6_565 ?
C50 C50 Y4 102.4(8) 6_565 6_565 ?
C49 C50 Y4 96.9(15) 6_565 6_565 ?
C71 C50 Y4 58(2) . 6_565 ?
C49 C50 Y4 103.6(12) . 6_565 ?
C51 C50 Y4 56.8(11) 6_565 6_565 ?
C51 C50 Y4 65.7(11) . 6_565 ?
C28 C50 Y4 74.5(10) 6_565 6_565 ?
C50 C50 Y4 62.9(7) 6_565 . ?
C49 C50 Y4 99.6(16) 6_565 . ?
C71 C50 Y4 97(2) . . ?
C49 C50 Y4 81.8(13) . . ?
C51 C50 Y4 61.0(12) 6_565 . ?
C51 C50 Y4 50.5(10) . . ?
C28 C50 Y4 103.9(10) 6_565 . ?
Y4 C50 Y4 39.5(4) 6_565 . ?
C51 C51 C30 179.2(18) 6_565 . ?
C51 C51 C52 74.7(12) 6_565 . ?
C30 C51 C52 105.6(17) . . ?
C51 C51 C50 88.7(15) 6_565 6_565 ?
C30 C51 C50 91(2) . 6_565 ?
C52 C51 C50 161(3) . 6_565 ?
C51 C51 C73 129.6(11) 6_565 6_565 ?
C30 C51 C73 50.5(14) . 6_565 ?
C52 C51 C73 56.6(11) . 6_565 ?
C50 C51 C73 136(2) 6_565 6_565 ?
C51 C51 C50 66.3(14) 6_565 . ?
C30 C51 C50 113(2) . . ?
C52 C51 C50 140(2) . . ?
C50 C51 C50 22(2) 6_565 . ?
C73 C51 C50 154(2) 6_565 . ?
C51 C51 C72 154.7(15) 6_565 6_565 ?
C30 C51 C72 24.5(15) . 6_565 ?
C52 C51 C72 103.9(17) . 6_565 ?
C50 C51 C72 87.0(19) 6_565 6_565 ?
C73 C51 C72 48.8(11) 6_565 6_565 ?
C50 C51 C72 107(2) . 6_565 ?
C51 C51 Y4 103.7(8) 6_565 . ?
C30 C51 Y4 75.6(15) . . ?
C52 C51 Y4 93.7(17) . . ?
C50 C51 Y4 80.9(14) 6_565 . ?
C73 C51 Y4 70.3(14) 6_565 . ?
C50 C51 Y4 86.9(14) . . ?
C72 C51 Y4 51.0(14) 6_565 . ?
C51 C51 Y7 94.8(8) 6_565 . ?
C30 C51 Y7 84.7(14) . . ?
C52 C51 Y7 63.0(14) . . ?
C50 C51 Y7 110.1(16) 6_565 . ?
C73 C51 Y7 54.0(12) 6_565 . ?
C50 C51 Y7 110.3(15) . . ?
C72 C51 Y7 63.6(13) 6_565 . ?
Y4 C51 Y7 30.7(5) . . ?
C51 C51 Y7 66.4(7) 6_565 6_565 ?
C30 C51 Y7 113.1(16) . 6_565 ?
C52 C51 Y7 57.1(15) . 6_565 ?
C50 C51 Y7 107.8(16) 6_565 6_565 ?
C73 C51 Y7 76.3(12) 6_565 6_565 ?
C50 C51 Y7 97.3(14) . 6_565 ?
C72 C51 Y7 91.3(15) 6_565 6_565 ?
C51 C51 Y4 58.0(7) 6_565 6_565 ?
C30 C51 Y4 121.2(18) . 6_565 ?
C52 C51 Y4 82.0(16) . 6_565 ?
C50 C51 Y4 81.1(14) 6_565 6_565 ?
C73 C51 Y4 100.1(14) 6_565 6_565 ?
C50 C51 Y4 69.9(12) . 6_565 ?
C72 C51 Y4 96.7(16) 6_565 6_565 ?
C51 C51 Y6 110.3(6) 6_565 . ?
C30 C51 Y6 69.2(13) . . ?
C52 C51 Y6 74.8(14) . . ?
C50 C51 Y6 103.0(15) 6_565 . ?
C73 C51 Y6 48.7(12) 6_565 . ?
C50 C51 Y6 109.7(14) . . ?
C72 C51 Y6 47.0(12) 6_565 . ?
Y4 C51 Y6 23.0(4) . . ?
Y7 C51 Y6 16.8(4) . . ?
Y7 C51 Y6 44.4(6) 6_565 . ?
Y4 C51 Y6 56.7(6) 6_565 . ?
C53 C52 C53 43(2) . 6_565 ?
C53 C52 C51 134.7(19) . . ?
C53 C52 C51 154(3) 6_565 . ?
C53 C52 C51 154(3) . 6_565 ?
C53 C52 C51 134.7(19) 6_565 6_565 ?
C51 C52 C51 31(2) . 6_565 ?
C53 C52 C73 67.9(14) . 6_565 ?
C53 C52 C73 109.2(18) 6_565 6_565 ?
C51 C52 C73 70.3(16) . 6_565 ?
C51 C52 C73 100(2) 6_565 6_565 ?
C53 C52 C73 109.2(18) . . ?
C53 C52 C73 67.9(14) 6_565 . ?
C51 C52 C73 100(2) . . ?
C51 C52 C73 70.3(16) 6_565 . ?
C73 C52 C73 153(3) 6_565 . ?
C53 C52 Y7 80.6(17) . 6_565 ?
C53 C52 Y7 68.3(17) 6_565 6_565 ?
C51 C52 Y7 85.3(18) . 6_565 ?
C51 C52 Y7 76.5(16) 6_565 6_565 ?
C73 C52 Y7 93.3(18) 6_565 6_565 ?
C73 C52 Y7 60.3(14) . 6_565 ?
C53 C52 Y7 68.3(17) . . ?
C53 C52 Y7 80.6(17) 6_565 . ?
C51 C52 Y7 76.6(16) . . ?
C51 C52 Y7 85.3(18) 6_565 . ?
C73 C52 Y7 60.3(14) 6_565 . ?
C73 C52 Y7 93.3(18) . . ?
Y7 C52 Y7 33.0(8) 6_565 . ?
C53 C52 Y4 89.7(17) . . ?
C53 C52 Y4 103.8(18) 6_565 . ?
C51 C52 Y4 52.6(13) . . ?
C51 C52 Y4 64.5(15) 6_565 . ?
C73 C52 Y4 57.4(15) 6_565 . ?
C73 C52 Y4 96.5(18) . . ?
Y7 C52 Y4 43.7(7) 6_565 . ?
Y7 C52 Y4 24.0(6) . . ?
C53 C52 Y4 103.8(18) . 6_565 ?
C53 C52 Y4 89.7(17) 6_565 6_565 ?
C51 C52 Y4 64.5(15) . 6_565 ?
C51 C52 Y4 52.6(13) 6_565 6_565 ?
C73 C52 Y4 96.5(18) 6_565 6_565 ?
C73 C52 Y4 57.4(15) . 6_565 ?
C53 C52 Y6 62.9(15) . . ?
C53 C52 Y6 83.8(16) 6_565 . ?
C51 C52 Y6 76.7(14) . . ?
C51 C52 Y6 91.4(17) 6_565 . ?
C73 C52 Y6 48.3(14) 6_565 . ?
C73 C52 Y6 105.6(17) . . ?
Y7 C52 Y6 45.2(6) 6_565 . ?
Y7 C52 Y6 12.5(4) . . ?
Y4 C52 Y6 26.9(4) . . ?
Y4 C52 Y6 55.3(6) 6_565 . ?
C53 C52 Y6 83.8(16) . 6_565 ?
C53 C52 Y6 62.9(15) 6_565 6_565 ?
C51 C52 Y6 91.4(17) . 6_565 ?
C51 C52 Y6 76.7(14) 6_565 6_565 ?
C73 C52 Y6 105.6(17) 6_565 6_565 ?
C73 C52 Y6 48.3(14) . 6_565 ?
C53 C53 C54 68.6(10) 6_565 . ?
C53 C53 C32 173.4(19) 6_565 . ?
C54 C53 C32 109(2) . . ?
C53 C53 C52 68.7(10) 6_565 . ?
C54 C53 C52 134(2) . . ?
C32 C53 C52 111.3(17) . . ?
C53 C53 C73 125.8(12) 6_565 6_565 ?
C54 C53 C73 149(3) . 6_565 ?
C32 C53 C73 52.9(15) . 6_565 ?
C52 C53 C73 58.9(10) . 6_565 ?
C53 C53 C75 123.3(9) 6_565 6_565 ?
C54 C53 C75 55.9(9) . 6_565 ?
C32 C53 C75 53.5(17) . 6_565 ?
C52 C53 C75 152(3) . 6_565 ?
C73 C53 C75 99.7(17) 6_565 6_565 ?
C53 C53 C74 159.8(14) 6_565 6_565 ?
C54 C53 C74 104.2(16) . 6_565 ?
C32 C53 C74 14(2) . 6_565 ?
C52 C53 C74 110.2(15) . 6_565 ?
C73 C53 C74 51.8(10) 6_565 6_565 ?
C75 C53 C74 48.9(10) 6_565 6_565 ?
C53 C53 Y7 91.5(8) 6_565 . ?
C54 C53 Y7 96(2) . . ?
C32 C53 Y7 82.4(19) . . ?
C52 C53 Y7 69.9(16) . . ?
C73 C53 Y7 59.3(14) 6_565 . ?
C75 C53 Y7 84.1(18) 6_565 . ?
C74 C53 Y7 70.0(15) 6_565 . ?
C53 C53 Y7 61.3(7) 6_565 6_565 ?
C54 C53 Y7 84.7(17) . 6_565 ?
C32 C53 Y7 113(2) . 6_565 ?
C52 C53 Y7 61.0(15) . 6_565 ?
C73 C53 Y7 81.2(16) 6_565 6_565 ?
C75 C53 Y7 100.7(18) 6_565 6_565 ?
C74 C53 Y7 99.9(17) 6_565 6_565 ?
C53 C53 Y6 110.0(6) 6_565 . ?
C54 C53 Y6 91.5(18) . . ?
C32 C53 Y6 63.5(18) . . ?
C52 C53 Y6 88.4(18) . . ?
C73 C53 Y6 58.2(13) 6_565 . ?
C75 C53 Y6 64.2(16) 6_565 . ?
C74 C53 Y6 50.2(13) 6_565 . ?
Y7 C53 Y6 22.1(7) . . ?
Y7 C53 Y6 50.1(8) 6_565 . ?
C53 C53 Y4 97.0(5) 6_565 . ?
C54 C53 Y4 108.9(19) . . ?
C32 C53 Y4 77.6(17) . . ?
C52 C53 Y4 61.7(15) . . ?
C73 C53 Y4 47.0(13) 6_565 . ?
C75 C53 Y4 90.9(17) 6_565 . ?
C74 C53 Y4 66.8(13) 6_565 . ?
Y7 C53 Y4 13.0(4) . . ?
Y7 C53 Y4 37.4(6) 6_565 . ?
Y6 C53 Y4 26.7(6) . . ?
C53 C54 C53 43(2) 6_565 . ?
C53 C54 C55 163(3) 6_565 . ?
C53 C54 C55 135.2(18) . . ?
C53 C54 C55 135.2(18) 6_565 6_565 ?
C53 C54 C55 163(3) . 6_565 ?
C55 C54 C55 39.9(18) . 6_565 ?
C53 C54 C75 71.8(14) 6_565 . ?
C53 C54 C75 113.6(16) . . ?
C55 C54 C75 103.5(12) . . ?
C55 C54 C75 64.3(14) 6_565 . ?
C53 C54 C75 113.6(16) 6_565 6_565 ?
C53 C54 C75 71.8(14) . 6_565 ?
C55 C54 C75 64.3(14) . 6_565 ?
C55 C54 C75 103.6(12) 6_565 6_565 ?
C75 C54 C75 156(3) . 6_565 ?
C53 C54 Y7 61.7(15) 6_565 . ?
C53 C54 Y7 50.5(16) . . ?
C55 C54 Y7 103.7(18) . . ?
C55 C54 Y7 112.9(19) 6_565 . ?
C75 C54 Y7 95.4(18) . . ?
C75 C54 Y7 70.0(17) 6_565 . ?
C53 C54 Y7 50.5(16) 6_565 6_565 ?
C53 C54 Y7 61.7(15) . 6_565 ?
C55 C54 Y7 112.9(19) . 6_565 ?
C55 C54 Y7 103.7(18) 6_565 6_565 ?
C75 C54 Y7 70.0(17) . 6_565 ?
C75 C54 Y7 95.4(19) 6_565 6_565 ?
C53 C54 Y6 81.4(16) 6_565 . ?
C53 C54 Y6 60.5(16) . . ?
C55 C54 Y6 85.2(17) . . ?
C55 C54 Y6 103.7(17) 6_565 . ?
C75 C54 Y6 108(2) . . ?
C75 C54 Y6 52.8(17) 6_565 . ?
Y7 C54 Y6 20.4(6) . . ?
Y7 C54 Y6 43.2(7) 6_565 . ?
C53 C54 Y6 60.5(16) 6_565 6_565 ?
C53 C54 Y6 81.4(16) . 6_565 ?
C55 C54 Y6 103.7(17) . 6_565 ?
C55 C54 Y6 85.2(17) 6_565 6_565 ?
C75 C54 Y6 52.8(17) . 6_565 ?
C75 C54 Y6 108(2) 6_565 6_565 ?
C55 C55 C56 95(2) 6_565 6_565 ?
C55 C55 C34 171(3) 6_565 . ?
C56 C55 C34 86(3) 6_565 . ?
C55 C55 C18 157(2) 6_565 6_565 ?
C56 C55 C18 72.1(19) 6_565 6_565 ?
C34 C55 C18 17(3) . 6_565 ?
C55 C55 C54 70.1(9) 6_565 . ?
C56 C55 C54 157(4) 6_565 . ?
C34 C55 C54 107(2) . . ?
C18 C55 C54 116(2) 6_565 . ?
C55 C55 C56 43.0(11) 6_565 . ?
C56 C55 C56 52(3) 6_565 . ?
C34 C55 C56 137(3) . . ?
C18 C55 C56 121(3) 6_565 . ?
C54 C55 C56 111.1(13) . . ?
C55 C55 C75 127.2(9) 6_565 6_565 ?
C56 C55 C75 130(3) 6_565 6_565 ?
C34 C55 C75 48(2) . 6_565 ?
C18 C55 C75 58.7(14) 6_565 6_565 ?
C54 C55 C75 58.2(9) . 6_565 ?
C56 C55 C75 156(3) . 6_565 ?
C55 C55 C35 136.2(11) 6_565 . ?
C56 C55 C35 45(2) 6_565 . ?
C34 C55 C35 42.0(16) . . ?
C18 C55 C35 27.5(12) 6_565 . ?
C54 C55 C35 140(2) . . ?
C56 C55 C35 94.6(19) . . ?
C75 C55 C35 85.8(14) 6_565 . ?
C55 C56 C56 85(2) 6_565 6_565 ?
C55 C56 C34 50(2) 6_565 6_565 ?
C56 C56 C34 134.9(18) 6_565 6_565 ?
C55 C56 C18 67(2) 6_565 . ?
C56 C56 C18 146.8(13) 6_565 . ?
C34 C56 C18 18.5(17) 6_565 . ?
C55 C56 C35 107(3) 6_565 6_565 ?
C56 C56 C35 158.3(17) 6_565 6_565 ?
C34 C56 C35 56.9(16) 6_565 6_565 ?
C18 C56 C35 39.7(15) . 6_565 ?
C55 C56 C55 42(2) 6_565 . ?
C56 C56 C55 43.0(11) 6_565 . ?
C34 C56 C55 92.4(18) 6_565 . ?
C18 C56 C55 107.4(13) . . ?
C35 C56 C55 145.5(19) 6_565 . ?
C55 C56 C57 146(4) 6_565 . ?
C56 C56 C57 67.4(11) 6_565 . ?
C34 C56 C57 146(2) 6_565 . ?
C18 C56 C57 128(2) . . ?
C35 C56 C57 94.3(18) 6_565 . ?
C55 C56 C57 108(2) . . ?
C55 C56 C36 151(3) 6_565 6_565 ?
C56 C56 C36 110.4(14) 6_565 6_565 ?
C34 C56 C36 107(2) 6_565 6_565 ?
C18 C56 C36 89.1(19) . 6_565 ?
C35 C56 C36 51.4(16) 6_565 6_565 ?
C55 C56 C36 147(3) . 6_565 ?
C57 C56 C36 43.2(12) . 6_565 ?
C36 C57 C36 156(5) 6_565 . ?
C36 C57 C58 129(3) 6_565 6_565 ?
C36 C57 C58 28(2) . 6_565 ?
C36 C57 C58 28(2) 6_565 . ?
C36 C57 C58 129(3) . . ?
C58 C57 C58 102(3) 6_565 . ?
C36 C57 C56 78(2) 6_565 . ?
C36 C57 C56 123(3) . . ?
C58 C57 C56 151.6(19) 6_565 . ?
C58 C57 C56 106.4(15) . . ?
C36 C57 C56 123(3) 6_565 6_565 ?
C36 C57 C56 78(2) . 6_565 ?
C58 C57 C56 106.4(15) 6_565 6_565 ?
C58 C57 C56 151.6(19) . 6_565 ?
C56 C57 C56 45(2) . 6_565 ?
C36 C58 C37 137(5) 6_565 6_565 ?
C36 C58 C57 54(3) 6_565 . ?
C37 C58 C57 150(4) 6_565 . ?
C36 C58 C77 72(4) 6_565 . ?
C37 C58 C77 69(3) 6_565 . ?
C57 C58 C77 123.6(19) . . ?
C36 C58 C59 154(5) 6_565 . ?
C37 C58 C59 42(3) 6_565 . ?
C57 C58 C59 114(3) . . ?
C77 C58 C59 110(2) . . ?
C36 C58 C38 152(5) 6_565 6_565 ?
C37 C58 C38 47(3) 6_565 6_565 ?
C57 C58 C38 109(2) . 6_565 ?
C77 C58 C38 115(2) . 6_565 ?
C59 C58 C38 5(2) . 6_565 ?
C36 C58 C19 112(4) 6_565 6_565 ?
C37 C58 C19 26(2) 6_565 6_565 ?
C57 C58 C19 151(2) . 6_565 ?
C77 C58 C19 43.1(14) . 6_565 ?
C59 C58 C19 67.1(18) . 6_565 ?
C38 C58 C19 72.1(17) 6_565 6_565 ?
C36 C58 Y8 102(4) 6_565 6_565 ?
C37 C58 Y8 54(3) 6_565 6_565 ?
C57 C58 Y8 98.8(17) . 6_565 ?
C77 C58 Y8 79.2(16) . 6_565 ?
C59 C58 Y8 55.0(18) . 6_565 ?
C38 C58 Y8 55.8(16) 6_565 6_565 ?
C19 C58 Y8 56.7(11) 6_565 6_565 ?
C38 C59 C37 164(8) 6_565 6_565 ?
C38 C59 C60 72(6) 6_565 . ?
C37 C59 C60 92(3) 6_565 . ?
C38 C59 C38 38(7) 6_565 . ?
C37 C59 C38 155(5) 6_565 . ?
C60 C59 C38 107.5(14) . . ?
C38 C59 C58 157(9) 6_565 . ?
C37 C59 C58 38(3) 6_565 . ?
C60 C59 C58 129(2) . . ?
C38 C59 C58 119(3) . . ?
C38 C59 C59 54(8) 6_565 6_565 ?
C37 C59 C59 140(3) 6_565 6_565 ?
C60 C59 C59 121.6(13) . 6_565 ?
C38 C59 C59 16(2) . 6_565 ?
C58 C59 C59 103.6(15) . 6_565 ?
C38 C59 C39 38(6) 6_565 6_565 ?
C37 C59 C39 127(3) 6_565 6_565 ?
C60 C59 C39 37.4(12) . 6_565 ?
C38 C59 C39 70.1(15) . 6_565 ?
C58 C59 C39 157(3) . 6_565 ?
C59 C59 C39 84.3(14) 6_565 6_565 ?
C38 C59 C19 133(7) 6_565 6_565 ?
C37 C59 C19 31(3) 6_565 6_565 ?
C60 C59 C19 61.0(17) . 6_565 ?
C38 C59 C19 160(4) . 6_565 ?
C58 C59 C19 67.9(18) . 6_565 ?
C59 C59 C19 158.4(15) 6_565 6_565 ?
C39 C59 C19 96.6(18) 6_565 6_565 ?
C38 C59 Y8 89(9) 6_565 6_565 ?
C37 C59 Y8 83(3) 6_565 6_565 ?
C60 C59 Y8 62.0(15) . 6_565 ?
C38 C59 Y8 92(3) . 6_565 ?
C58 C59 Y8 94(2) . 6_565 ?
C59 C59 Y8 93.6(9) 6_565 6_565 ?
C39 C59 Y8 62.9(14) 6_565 6_565 ?
C19 C59 Y8 68.2(13) 6_565 6_565 ?
C38 C59 Y8 67(10) 6_565 . ?
C37 C59 Y8 113(3) 6_565 . ?
C60 C59 Y8 87.2(16) . . ?
C38 C59 Y8 55(3) . . ?
C58 C59 Y8 102(2) . . ?
C59 C59 Y8 54.2(7) 6_565 . ?
C39 C59 Y8 64.3(15) 6_565 . ?
C19 C59 Y8 106.8(17) 6_565 . ?
Y8 C59 Y8 39.4(10) 6_565 . ?
C39 C60 C21 72(2) 6_565 6_565 ?
C39 C60 C38 70(2) 6_565 6_565 ?
C21 C60 C38 140(2) 6_565 6_565 ?
C39 C60 C61 143(3) 6_565 . ?
C21 C60 C61 73.3(19) 6_565 . ?
C38 C60 C61 140(3) 6_565 . ?
C39 C60 C59 89.1(16) 6_565 . ?
C21 C60 C59 154(2) 6_565 . ?
C38 C60 C59 19.6(18) 6_565 . ?
C61 C60 C59 121(2) . . ?
C39 C60 C40 20.1(15) 6_565 . ?
C21 C60 C40 51.6(18) 6_565 . ?
C38 C60 C40 90.4(14) 6_565 . ?
C61 C60 C40 125(2) . . ?
C59 C60 C40 108.8(13) . . ?
C39 C60 C20 129(3) 6_565 6_565 ?
C21 C60 C20 60.1(17) 6_565 6_565 ?
C38 C60 C20 147(3) 6_565 6_565 ?
C61 C60 C20 15.2(15) . 6_565 ?
C59 C60 C20 129(2) . 6_565 ?
C40 C60 C20 110(2) . 6_565 ?
C39 C60 C37 123(2) 6_565 6_565 ?
C21 C60 C37 149(2) 6_565 6_565 ?
C38 C60 C37 56.0(18) 6_565 6_565 ?
C61 C60 C37 84(2) . 6_565 ?
C59 C60 C37 36.4(17) . 6_565 ?
C40 C60 C37 141.4(17) . 6_565 ?
C20 C60 C37 94.3(19) 6_565 6_565 ?
C39 C60 C19 156(3) 6_565 6_565 ?
C21 C60 C19 115(2) 6_565 6_565 ?
C38 C60 C19 96(2) 6_565 6_565 ?
C61 C60 C19 43.9(19) . 6_565 ?
C59 C60 C19 76.9(19) . 6_565 ?
C40 C60 C19 156.9(19) . 6_565 ?
C20 C60 C19 54.9(16) 6_565 6_565 ?
C37 C60 C19 40.5(14) 6_565 6_565 ?
C39 C60 Y8 81(2) 6_565 6_565 ?
C21 C60 Y8 76.4(13) 6_565 6_565 ?
C38 C60 Y8 87(2) 6_565 6_565 ?
C61 C60 Y8 81.4(17) . 6_565 ?
C59 C60 Y8 84(2) . 6_565 ?
C40 C60 Y8 80.1(16) . 6_565 ?
C20 C60 Y8 71.9(17) 6_565 6_565 ?
C37 C60 Y8 79.9(11) 6_565 6_565 ?
C19 C60 Y8 78.2(11) 6_565 6_565 ?
C39 C60 Y2 86(2) 6_565 6_565 ?
C21 C60 Y2 64.5(12) 6_565 6_565 ?
C38 C60 Y2 102(2) 6_565 6_565 ?
C61 C60 Y2 70.7(15) . 6_565 ?
C59 C60 Y2 98(2) . 6_565 ?
C40 C60 Y2 79.5(15) . 6_565 ?
C20 C60 Y2 59.4(15) 6_565 6_565 ?
C37 C60 Y2 88.8(11) 6_565 6_565 ?
C19 C60 Y2 77.5(9) 6_565 6_565 ?
C39 C60 Y3 58.8(19) 6_565 . ?
C21 C60 Y3 67.8(12) 6_565 . ?
C38 C60 Y3 83(2) 6_565 . ?
C61 C60 Y3 98.7(15) . . ?
C59 C60 Y3 87.8(18) . . ?
C40 C60 Y3 58.0(14) . . ?
C20 C60 Y3 86.2(15) 6_565 . ?
C37 C60 Y3 96.1(11) 6_565 . ?
C19 C60 Y3 100.8(9) 6_565 . ?
Y8 C60 Y3 22.7(6) 6_565 . ?
Y2 C60 Y3 28.4(2) 6_565 . ?
C20 C61 C19 131(10) 6_565 6_565 ?
C20 C61 C60 102(7) 6_565 . ?
C19 C61 C60 88(2) 6_565 . ?
C20 C61 C78 112(8) 6_565 . ?
C19 C61 C78 32.9(16) 6_565 . ?
C60 C61 C78 120(3) . . ?
C20 C61 C62 16(9) 6_565 . ?
C19 C61 C62 139(2) 6_565 . ?
C60 C61 C62 113.2(18) . . ?
C78 C61 C62 112.5(13) . . ?
C20 C61 C21 58(6) 6_565 6_565 ?
C19 C61 C21 134(3) 6_565 6_565 ?
C60 C61 C21 50.6(14) . 6_565 ?
C78 C61 C21 156(3) . 6_565 ?
C62 C61 C21 64.5(14) . 6_565 ?
C20 C61 C7 32(7) 6_565 6_565 ?
C19 C61 C7 127(3) 6_565 6_565 ?
C60 C61 C7 133(2) . 6_565 ?
C78 C61 C7 96.2(18) . 6_565 ?
C62 C61 C7 19.7(14) . 6_565 ?
C21 C61 C7 84.0(18) 6_565 6_565 ?
C20 C61 Y8 62(10) 6_565 6_565 ?
C19 C61 Y8 82(2) 6_565 6_565 ?
C60 C61 Y8 64.6(15) . 6_565 ?
C78 C61 Y8 90(2) . 6_565 ?
C62 C61 Y8 77.1(16) . 6_565 ?
C21 C61 Y8 65.6(13) 6_565 6_565 ?
C7 C61 Y8 87.7(17) 6_565 6_565 ?
C20 C61 Y2 46(10) 6_565 6_565 ?
C19 C61 Y2 91(2) 6_565 6_565 ?
C60 C61 Y2 79.0(15) . 6_565 ?
C78 C61 Y2 91.1(17) . 6_565 ?
C62 C61 Y2 61.1(14) . 6_565 ?
C21 C61 Y2 66.2(12) 6_565 6_565 ?
C7 C61 Y2 70.6(16) 6_565 6_565 ?
C7 C62 C20 111(5) 6_565 6_565 ?
C7 C62 C8 91(4) 6_565 6_565 ?
C20 C62 C8 152(4) 6_565 6_565 ?
C7 C62 C63 131(5) 6_565 . ?
C20 C62 C63 118(3) 6_565 . ?
C8 C62 C63 41.3(18) 6_565 . ?
C7 C62 C80 27(5) 6_565 . ?
C20 C62 C80 106(2) 6_565 . ?
C8 C62 C80 85(2) 6_565 . ?
C63 C62 C80 125.4(18) . . ?
C7 C62 C61 107(5) 6_565 . ?
C20 C62 C61 6(3) 6_565 . ?
C8 C62 C61 158(3) 6_565 . ?
C63 C62 C61 122.1(18) . . ?
C80 C62 C61 105.1(12) . . ?
C7 C62 C21 165(5) 6_565 6_565 ?
C20 C62 C21 58.8(17) 6_565 6_565 ?
C8 C62 C21 102(2) 6_565 6_565 ?
C63 C62 C21 61.5(15) . 6_565 ?
C80 C62 C21 158(2) . 6_565 ?
C61 C62 C21 61.4(16) . 6_565 ?
C7 C62 C22 144(5) 6_565 6_565 ?
C20 C62 C22 105(3) 6_565 6_565 ?
C8 C62 C22 52.9(14) 6_565 6_565 ?
C63 C62 C22 13.7(14) . 6_565 ?
C80 C62 C22 133.3(19) . 6_565 ?
C61 C62 C22 108.9(17) . 6_565 ?
C21 C62 C22 49.5(10) 6_565 6_565 ?
C7 C62 C1 30(5) 6_565 6_565 ?
C20 C62 C1 94(2) 6_565 6_565 ?
C8 C62 C1 97(2) 6_565 6_565 ?
C63 C62 C1 136.2(18) . 6_565 ?
C80 C62 C1 11.9(11) . 6_565 ?
C61 C62 C1 93.3(13) . 6_565 ?
C21 C62 C1 150.0(19) 6_565 6_565 ?
C22 C62 C1 142(2) 6_565 6_565 ?
C7 C62 Y2 115(6) 6_565 6_565 ?
C20 C62 Y2 79(3) 6_565 6_565 ?
C8 C62 Y2 76.4(18) 6_565 6_565 ?
C63 C62 Y2 72.7(14) . 6_565 ?
C80 C62 Y2 87.7(14) . 6_565 ?
C61 C62 Y2 84.4(16) . 6_565 ?
C21 C62 Y2 74.8(11) 6_565 6_565 ?
C22 C62 Y2 65.2(15) 6_565 6_565 ?
C1 C62 Y2 87.8(14) 6_565 6_565 ?
C7 C62 Y8 125(6) 6_565 6_565 ?
C20 C62 Y8 63(3) 6_565 6_565 ?
C8 C62 Y8 90.5(19) 6_565 6_565 ?
C63 C62 Y8 77.3(14) . 6_565 ?
C80 C62 Y8 98.0(14) . 6_565 ?
C61 C62 Y8 68.9(15) . 6_565 ?
C21 C62 Y8 62.1(11) 6_565 6_565 ?
C22 C62 Y8 66.7(15) 6_565 6_565 ?
C1 C62 Y8 95.2(14) 6_565 6_565 ?
C7 C62 Y1 84(5) 6_565 6_565 ?
C20 C62 Y1 96(3) 6_565 6_565 ?
C8 C62 Y1 68.3(17) 6_565 6_565 ?
C63 C62 Y1 87.3(14) . 6_565 ?
C80 C62 Y1 56.6(12) . 6_565 ?
C61 C62 Y1 100.6(16) . 6_565 ?
C21 C62 Y1 107.1(13) 6_565 6_565 ?
C22 C62 Y1 86.0(16) 6_565 6_565 ?
C1 C62 Y1 59.3(12) 6_565 6_565 ?
C22 C63 C8 149(8) 6_565 6_565 ?
C22 C63 C65 106(5) 6_565 . ?
C8 C63 C65 59(2) 6_565 . ?
C22 C63 C62 122(5) 6_565 . ?
C8 C63 C62 59(2) 6_565 . ?
C65 C63 C62 117.4(18) . . ?
C22 C63 C41 10(6) 6_565 . ?
C8 C63 C41 159(3) 6_565 . ?
C65 C63 C41 113.3(15) . . ?
C62 C63 C41 120.0(17) . . ?
C22 C63 C21 62(4) 6_565 6_565 ?
C8 C63 C21 124(3) 6_565 6_565 ?
C65 C63 C21 161(2) . 6_565 ?
C62 C63 C21 65.4(16) . 6_565 ?
C41 C63 C21 56.5(14) . 6_565 ?
C22 C63 C42 26(4) 6_565 6_565 ?
C8 C63 C42 136(3) 6_565 6_565 ?
C65 C63 C42 81.6(13) . 6_565 ?
C62 C63 C42 144.9(19) . 6_565 ?
C41 C63 C42 31.8(9) . 6_565 ?
C21 C63 C42 87.5(15) 6_565 6_565 ?
C22 C63 C7 135(6) 6_565 6_565 ?
C8 C63 C7 45.7(17) 6_565 6_565 ?
C65 C63 C7 104.8(18) . 6_565 ?
C62 C63 C7 14.4(15) . 6_565 ?
C41 C63 C7 134.3(19) . 6_565 ?
C21 C63 C7 79.6(15) 6_565 6_565 ?
C42 C63 C7 156(2) 6_565 6_565 ?
C22 C63 Y2 73(7) 6_565 6_565 ?
C8 C63 Y2 79(3) 6_565 6_565 ?
C65 C63 Y2 88.7(14) . 6_565 ?
C62 C63 Y2 70.5(14) . 6_565 ?
C41 C63 Y2 80.9(12) . 6_565 ?
C21 C63 Y2 74.8(12) 6_565 6_565 ?
C42 C63 Y2 81.5(12) 6_565 6_565 ?
C7 C63 Y2 75.6(16) 6_565 6_565 ?
C22 C63 Y8 63(6) 6_565 6_565 ?
C8 C63 Y8 93(3) 6_565 6_565 ?
C65 C63 Y8 102.7(15) . 6_565 ?
C62 C63 Y8 70.6(14) . 6_565 ?
C41 C63 Y8 68.8(12) . 6_565 ?
C21 C63 Y8 59.9(11) 6_565 6_565 ?
C42 C63 Y8 76.7(12) 6_565 6_565 ?
C7 C63 Y8 79.3(16) 6_565 6_565 ?
C22 C63 Y3 45(7) 6_565 . ?
C8 C63 Y3 106(3) 6_565 . ?
C65 C63 Y3 89.2(13) . . ?
C62 C63 Y3 97.1(15) . . ?
C41 C63 Y3 53.5(10) . . ?
C21 C63 Y3 72.3(11) 6_565 . ?
C42 C63 Y3 51.5(10) 6_565 . ?
C7 C63 Y3 104.8(17) 6_565 . ?
Y2 C63 Y3 30.4(4) 6_565 . ?
Y8 C63 Y3 26.5(5) 6_565 . ?
C22 C63 Y1 99(7) 6_565 6_565 ?
C8 C63 Y1 52(2) 6_565 6_565 ?
C65 C63 Y1 70.6(13) . 6_565 ?
C62 C63 Y1 64.5(13) . 6_565 ?
C41 C63 Y1 107.2(13) . 6_565 ?
C21 C63 Y1 96.7(14) 6_565 6_565 ?
C42 C63 Y1 99.3(12) 6_565 6_565 ?
C7 C63 Y1 62.7(15) 6_565 6_565 ?
C23 C64 C43 135(5) 6_565 6_565 ?
C23 C64 C43 140(5) 6_565 . ?
C43 C64 C43 20(2) 6_565 . ?
C23 C64 C44 45(2) 6_565 . ?
C43 C64 C44 131(4) 6_565 . ?
C43 C64 C44 117(2) . . ?
C23 C64 C65 64(2) 6_565 . ?
C43 C64 C65 97(3) 6_565 . ?
C43 C64 C65 116.7(19) . . ?
C44 C64 C65 109.2(13) . . ?
C23 C64 C24 43(2) 6_565 6_565 ?
C43 C64 C24 138(4) 6_565 6_565 ?
C43 C64 C24 123.3(19) . 6_565 ?
C44 C64 C24 7(2) . 6_565 ?
C65 C64 C24 106.3(15) . 6_565 ?
C23 C64 C64 134(3) 6_565 6_565 ?
C43 C64 C64 46(2) 6_565 6_565 ?
C43 C64 C64 26.1(10) . 6_565 ?
C44 C64 C64 96.2(11) . 6_565 ?
C65 C64 C64 142.6(13) . 6_565 ?
C24 C64 C64 101.6(9) 6_565 6_565 ?
C23 C64 C9 33(2) 6_565 6_565 ?
C43 C64 C9 122(3) 6_565 6_565 ?
C43 C64 C9 139(2) . 6_565 ?
C44 C64 C9 78.1(12) . 6_565 ?
C65 C64 C9 31.3(10) . 6_565 ?
C24 C64 C9 75.1(13) 6_565 6_565 ?
C64 C64 C9 155.5(13) 6_565 6_565 ?
C23 C64 Y9 45(3) 6_565 6_565 ?
C43 C64 Y9 91(3) 6_565 6_565 ?
C43 C64 Y9 96(2) . 6_565 ?
C44 C64 Y9 61(2) . 6_565 ?
C65 C64 Y9 70.7(19) . 6_565 ?
C24 C64 Y9 65.2(19) 6_565 6_565 ?
C64 C64 Y9 100.0(12) 6_565 6_565 ?
C9 C64 Y9 56.2(16) 6_565 6_565 ?
C9 C65 C8 78(2) 6_565 6_565 ?
C9 C65 C23 76.3(16) 6_565 6_565 ?
C8 C65 C23 145(3) 6_565 6_565 ?
C9 C65 C63 119(2) 6_565 . ?
C8 C65 C63 41.8(16) 6_565 . ?
C23 C65 C63 148(2) 6_565 . ?
C9 C65 C66 3(3) 6_565 . ?
C8 C65 C66 78(2) 6_565 . ?
C23 C65 C66 77.2(17) 6_565 . ?
C63 C65 C66 119.3(18) . . ?
C9 C65 C64 107(2) 6_565 . ?
C8 C65 C64 160(3) 6_565 . ?
C23 C65 C64 30.8(16) 6_565 . ?
C63 C65 C64 127.6(18) . . ?
C66 C65 C64 107.5(12) . . ?
C9 C65 C22 131(3) 6_565 6_565 ?
C8 C65 C22 56.9(15) 6_565 6_565 ?
C23 C65 C22 132(2) 6_565 6_565 ?
C63 C65 C22 16.7(14) . 6_565 ?
C66 C65 C22 132(2) . 6_565 ?
C64 C65 C22 110.9(18) . 6_565 ?
C9 C65 C43 129(2) 6_565 6_565 ?
C8 C65 C43 135(2) 6_565 6_565 ?
C23 C65 C43 55.5(15) 6_565 6_565 ?
C63 C65 C43 98.4(14) . 6_565 ?
C66 C65 C43 131.0(15) . 6_565 ?
C64 C65 C43 29.2(10) . 6_565 ?
C22 C65 C43 81.7(14) 6_565 6_565 ?
C9 C65 Y2 88(2) 6_565 6_565 ?
C8 C65 Y2 60.1(17) 6_565 6_565 ?
C23 C65 Y2 95.7(15) 6_565 6_565 ?
C63 C65 Y2 59.2(13) . 6_565 ?
C66 C65 Y2 91(2) . 6_565 ?
C64 C65 Y2 100.5(17) . 6_565 ?
C22 C65 Y2 55.5(16) 6_565 6_565 ?
C43 C65 Y2 82.8(10) 6_565 6_565 ?
C9 C65 Y9 62(2) 6_565 6_565 ?
C8 C65 Y9 87(2) 6_565 6_565 ?
C23 C65 Y9 59.9(19) 6_565 6_565 ?
C63 C65 Y9 100.2(19) . 6_565 ?
C66 C65 Y9 65(2) . 6_565 ?
C64 C65 Y9 79(2) . 6_565 ?
C22 C65 Y9 96(2) 6_565 6_565 ?
C43 C65 Y9 79.7(16) 6_565 6_565 ?
Y2 C65 Y9 41.2(11) 6_565 6_565 ?
C9 C65 Y1 58.3(18) 6_565 6_565 ?
C8 C65 Y1 62.1(18) 6_565 6_565 ?
C23 C65 Y1 83.9(14) 6_565 6_565 ?
C63 C65 Y1 81.8(14) . 6_565 ?
C66 C65 Y1 60.8(19) . 6_565 ?
C64 C65 Y1 103.2(16) . 6_565 ?
C22 C65 Y1 83.3(17) 6_565 6_565 ?
C43 C65 Y1 98.8(11) 6_565 6_565 ?
C9 C65 Y5 55.3(18) 6_565 6_565 ?
C8 C65 Y5 66.5(18) 6_565 6_565 ?
C23 C65 Y5 79.1(14) 6_565 6_565 ?
C63 C65 Y5 87.1(14) . 6_565 ?
C66 C65 Y5 57.8(19) . 6_565 ?
C64 C65 Y5 99.7(16) . 6_565 ?
C22 C65 Y5 88.2(17) 6_565 6_565 ?
C43 C65 Y5 97.7(11) 6_565 6_565 ?
C9 C66 C10 149(10) 6_565 6_565 ?
C9 C66 C81 118(9) 6_565 . ?
C10 C66 C81 49.5(19) 6_565 . ?
C9 C66 C65 9(10) 6_565 . ?
C10 C66 C65 159(4) 6_565 . ?
C81 C66 C65 121(2) . . ?
C9 C66 C67 103(7) 6_565 . ?
C10 C66 C67 72(2) 6_565 . ?
C81 C66 C67 119(2) . . ?
C65 C66 C67 106.5(13) . . ?
C9 C66 C8 46(6) 6_565 6_565 ?
C10 C66 C8 125(3) 6_565 6_565 ?
C81 C66 C8 76.3(19) . 6_565 ?
C65 C66 C8 46.0(15) . 6_565 ?
C67 C66 C8 146(3) . 6_565 ?
C9 C66 C23 45(6) 6_565 6_565 ?
C10 C66 C23 126(3) 6_565 6_565 ?
C81 C66 C23 147(3) . 6_565 ?
C65 C66 C23 48.0(10) . 6_565 ?
C67 C66 C23 58.6(11) . 6_565 ?
C8 C66 C23 91.1(18) 6_565 6_565 ?
C9 C66 Y9 74(10) 6_565 6_565 ?
C10 C66 Y9 76(3) 6_565 6_565 ?
C81 C66 Y9 83(3) . 6_565 ?
C65 C66 Y9 83(2) . 6_565 ?
C67 C66 Y9 66(2) . 6_565 ?
C8 C66 Y9 87(2) 6_565 6_565 ?
C23 C66 Y9 65.3(19) 6_565 6_565 ?
C9 C66 Y1 81(10) 6_565 6_565 ?
C10 C66 Y1 69(2) 6_565 6_565 ?
C81 C66 Y1 57.0(18) . 6_565 ?
C65 C66 Y1 89(2) . 6_565 ?
C67 C66 Y1 91(2) . 6_565 ?
C8 C66 Y1 71.7(17) 6_565 6_565 ?
C23 C66 Y1 89.7(18) 6_565 6_565 ?
C9 C66 Y5 86(10) 6_565 6_565 ?
C10 C66 Y5 64(2) 6_565 6_565 ?
C81 C66 Y5 57.9(18) . 6_565 ?
C65 C66 Y5 95(2) . 6_565 ?
C67 C66 Y5 84(2) . 6_565 ?
C8 C66 Y5 79.0(18) 6_565 6_565 ?
C23 C66 Y5 89.5(18) 6_565 6_565 ?
C9 C66 Y2 53(10) 6_565 6_565 ?
C10 C66 Y2 98(3) 6_565 6_565 ?
C81 C66 Y2 73.3(19) . 6_565 ?
C65 C66 Y2 61.3(17) . 6_565 ?
C67 C66 Y2 103(2) . 6_565 ?
C8 C66 Y2 48.9(14) 6_565 6_565 ?
C23 C66 Y2 75.1(15) 6_565 6_565 ?
C25 C67 C24 74.7(19) 6_565 6_565 ?
C25 C67 C68 32.1(17) 6_565 . ?
C24 C67 C68 106(2) 6_565 . ?
C25 C67 C44 90(2) 6_565 . ?
C24 C67 C44 18.5(15) 6_565 . ?
C68 C67 C44 119(3) . . ?
C25 C67 C66 156(2) 6_565 . ?
C24 C67 C66 127.5(19) 6_565 . ?
C68 C67 C66 124(2) . . ?
C44 C67 C66 110.4(13) . . ?
C25 C67 C9 163(3) 6_565 6_565 ?
C24 C67 C9 116(2) 6_565 6_565 ?
C68 C67 C9 133(2) . 6_565 ?
C44 C67 C9 99.0(16) . 6_565 ?
C66 C67 C9 11.5(15) . 6_565 ?
C25 C67 C23 130(3) 6_565 6_565 ?
C24 C67 C23 58.6(16) 6_565 6_565 ?
C68 C67 C23 153(3) . 6_565 ?
C44 C67 C23 41.2(12) . 6_565 ?
C66 C67 C23 69.3(15) . 6_565 ?
C9 C67 C23 57.9(11) 6_565 6_565 ?
C25 C67 C11 65.0(16) 6_565 6_565 ?
C24 C67 C11 138(3) 6_565 6_565 ?
C68 C67 C11 32.9(14) . 6_565 ?
C44 C67 C11 146(3) . 6_565 ?
C66 C67 C11 91.1(17) . 6_565 ?
C9 C67 C11 100.6(17) 6_565 6_565 ?
C23 C67 C11 149(2) 6_565 6_565 ?
C25 C67 C10 108(2) 6_565 6_565 ?
C24 C67 C10 167(3) 6_565 6_565 ?
C68 C67 C10 76.0(18) . 6_565 ?
C44 C67 C10 150(3) . 6_565 ?
C66 C67 C10 48.0(14) . 6_565 ?
C9 C67 C10 58.0(12) 6_565 6_565 ?
C23 C67 C10 113.8(18) 6_565 6_565 ?
C11 C67 C10 43.1(13) 6_565 6_565 ?
C25 C67 Y9 94(2) 6_565 6_565 ?
C24 C67 Y9 90(3) 6_565 6_565 ?
C68 C67 Y9 87(3) . 6_565 ?
C44 C67 Y9 79(3) . 6_565 ?
C66 C67 Y9 78(3) . 6_565 ?
C9 C67 Y9 74(2) 6_565 6_565 ?
C23 C67 Y9 71.4(17) 6_565 6_565 ?
C11 C67 Y9 81.0(19) 6_565 6_565 ?
C10 C67 Y9 77(2) 6_565 6_565 ?
C25 C67 Y5 99(2) 6_565 6_565 ?
C24 C67 Y5 112(2) 6_565 6_565 ?
C68 C67 Y5 82(2) . 6_565 ?
C44 C67 Y5 100(3) . 6_565 ?
C66 C67 Y5 65(2) . 6_565 ?
C9 C67 Y5 64.9(15) 6_565 6_565 ?
C23 C67 Y5 84.0(14) 6_565 6_565 ?
C11 C67 Y5 65.4(13) 6_565 6_565 ?
C10 C67 Y5 55.2(13) 6_565 6_565 ?
C25 C67 Y1 106(2) 6_565 6_565 ?
C24 C67 Y1 112(2) 6_565 6_565 ?
C68 C67 Y1 88(2) . 6_565 ?
C44 C67 Y1 99(2) . 6_565 ?
C66 C67 Y1 60(2) . 6_565 ?
C9 C67 Y1 58.4(15) 6_565 6_565 ?
C23 C67 Y1 79.0(14) 6_565 6_565 ?
C11 C67 Y1 69.9(13) 6_565 6_565 ?
C10 C67 Y1 54.6(12) 6_565 6_565 ?
C25 C68 C11 144(5) 6_565 6_565 ?
C25 C68 C67 60(3) 6_565 . ?
C11 C68 C67 84(3) 6_565 . ?
C25 C68 C69 62(3) 6_565 . ?
C11 C68 C69 149(3) 6_565 . ?
C67 C68 C69 119(3) . . ?
C25 C68 C83 168(6) 6_565 . ?
C11 C68 C83 35(2) 6_565 . ?
C67 C68 C83 117(2) . . ?
C69 C68 C83 115(2) . . ?
C25 C68 C26 63(3) 6_565 6_565 ?
C11 C68 C26 148(3) 6_565 6_565 ?
C67 C68 C26 119(3) . 6_565 ?
C69 C68 C26 1.0(16) . 6_565 ?
C83 C68 C26 114.6(19) . 6_565 ?
C25 C68 C12 151(4) 6_565 6_565 ?
C11 C68 C12 59.2(19) 6_565 6_565 ?
C67 C68 C12 137(2) . 6_565 ?
C69 C68 C12 90.9(18) . 6_565 ?
C83 C68 C12 24.6(13) . 6_565 ?
C26 C68 C12 90.0(15) 6_565 6_565 ?
C25 C68 C10 116(3) 6_565 6_565 ?
C11 C68 C10 27.7(19) 6_565 6_565 ?
C67 C68 C10 56.6(15) . 6_565 ?
C69 C68 C10 161(4) . 6_565 ?
C83 C68 C10 61.7(16) . 6_565 ?
C26 C68 C10 160(3) 6_565 6_565 ?
C12 C68 C10 85.1(16) 6_565 6_565 ?
C25 C68 Y9 84(4) 6_565 6_565 ?
C11 C68 Y9 76(4) 6_565 6_565 ?
C67 C68 Y9 60(2) . 6_565 ?
C69 C68 Y9 97(4) . 6_565 ?
C83 C68 Y9 85(2) . 6_565 ?
C26 C68 Y9 96(2) 6_565 6_565 ?
C12 C68 Y9 88.1(19) 6_565 6_565 ?
C10 C68 Y9 64.2(19) 6_565 6_565 ?
C25 C68 Y5 106(4) 6_565 6_565 ?
C11 C68 Y5 56(3) 6_565 6_565 ?
C67 C68 Y5 71(2) . 6_565 ?
C69 C68 Y5 109(3) . 6_565 ?
C83 C68 Y5 63.7(19) . 6_565 ?
C26 C68 Y5 109(2) 6_565 6_565 ?
C12 C68 Y5 70.9(13) 6_565 6_565 ?
C10 C68 Y5 51.5(12) 6_565 6_565 ?
C26 C69 C25 154(10) 6_565 6_565 ?
C26 C69 C68 174(10) 6_565 . ?
C25 C69 C68 31.5(17) 6_565 . ?
C26 C69 C46 67(9) 6_565 . ?
C25 C69 C46 86(3) 6_565 . ?
C68 C69 C46 117(3) . . ?
C26 C69 C70 51(8) 6_565 . ?
C25 C69 C70 150(4) 6_565 . ?
C68 C69 C70 123(2) . . ?
C46 C69 C70 108.2(14) . . ?
C26 C69 C27 83(8) 6_565 6_565 ?
C25 C69 C27 122(3) 6_565 6_565 ?
C68 C69 C27 91.4(19) . 6_565 ?
C46 C69 C27 142(2) . 6_565 ?
C70 C69 C27 34.6(14) . 6_565 ?
C26 C69 C47 26(10) 6_565 6_565 ?
C25 C69 C47 129(3) 6_565 6_565 ?
C68 C69 C47 156(5) . 6_565 ?
C46 C69 C47 43.5(10) . 6_565 ?
C70 C69 C47 66.7(12) . 6_565 ?
C27 C69 C47 101.3(18) 6_565 6_565 ?
C26 C69 Y9 122(10) 6_565 6_565 ?
C25 C69 Y9 57(2) 6_565 6_565 ?
C68 C69 Y9 56(3) . 6_565 ?
C46 C69 Y9 86(3) . 6_565 ?
C70 C69 Y9 97(3) . 6_565 ?
C27 C69 Y9 90(2) 6_565 6_565 ?
C47 C69 Y9 103(3) 6_565 6_565 ?
C27 C70 C26 86(3) 6_565 6_565 ?
C27 C70 C28 80(2) 6_565 6_565 ?
C26 C70 C28 162(3) 6_565 6_565 ?
C27 C70 C84 49(2) 6_565 . ?
C26 C70 C84 131(2) 6_565 . ?
C28 C70 C84 32.2(17) 6_565 . ?
C27 C70 C48 170(3) 6_565 . ?
C26 C70 C48 102(2) 6_565 . ?
C28 C70 C48 91(2) 6_565 . ?
C84 C70 C48 121.4(19) . . ?
C27 C70 C69 77(3) 6_565 . ?
C26 C70 C69 9.9(19) 6_565 . ?
C28 C70 C69 152(3) 6_565 . ?
C84 C70 C69 121(2) . . ?
C48 C70 C69 110.5(13) . . ?
C27 C70 C47 137(3) 6_565 6_565 ?
C26 C70 C47 51.2(17) 6_565 6_565 ?
C28 C70 C47 140(3) 6_565 6_565 ?
C84 C70 C47 161(3) . 6_565 ?
C48 C70 C47 50.8(13) . 6_565 ?
C69 C70 C47 60.1(13) . 6_565 ?
C27 C70 C48 169(3) 6_565 6_565 ?
C26 C70 C48 100(2) 6_565 6_565 ?
C28 C70 C48 92(2) 6_565 6_565 ?
C84 C70 C48 121.9(18) . 6_565 ?
C48 C70 C48 3.9(6) . 6_565 ?
C69 C70 C48 108.1(13) . 6_565 ?
C47 C70 C48 48.9(14) 6_565 6_565 ?
C27 C70 C49 126(3) 6_565 6_565 ?
C26 C70 C49 145(3) 6_565 6_565 ?
C28 C70 C49 46.0(15) 6_565 6_565 ?
C84 C70 C49 77.2(15) . 6_565 ?
C48 C70 C49 44.8(15) . 6_565 ?
C69 C70 C49 151(2) . 6_565 ?
C47 C70 C49 95(2) 6_565 6_565 ?
C48 C70 C49 46.3(12) 6_565 6_565 ?
C29 C71 C28 109(4) 6_565 6_565 ?
C29 C71 C50 153(4) 6_565 . ?
C28 C71 C50 98(3) 6_565 . ?
C29 C71 C84 79(3) 6_565 . ?
C28 C71 C84 32(2) 6_565 . ?
C50 C71 C84 127(2) . . ?
C29 C71 C72 46(4) 6_565 . ?
C28 C71 C72 144(4) 6_565 . ?
C50 C71 C72 112(3) . . ?
C84 C71 C72 113(3) . . ?
C29 C71 C30 61(3) 6_565 6_565 ?
C28 C71 C30 169(4) 6_565 6_565 ?
C50 C71 C30 93(2) . 6_565 ?
C84 C71 C30 139(3) . 6_565 ?
C72 C71 C30 29.2(15) . 6_565 ?
C29 C71 C49 160(4) 6_565 6_565 ?
C28 C71 C49 52(2) 6_565 6_565 ?
C50 C71 C49 46.2(16) . 6_565 ?
C84 C71 C49 81.3(19) . 6_565 ?
C72 C71 C49 150(3) . 6_565 ?
C30 C71 C49 139(3) 6_565 6_565 ?
C29 C71 Y4 88(5) 6_565 6_565 ?
C28 C71 Y4 112(4) 6_565 6_565 ?
C50 C71 Y4 88(2) . 6_565 ?
C84 C71 Y4 99(3) . 6_565 ?
C72 C71 Y4 54(2) . 6_565 ?
C30 C71 Y4 72(2) 6_565 6_565 ?
C49 C71 Y4 99(2) 6_565 6_565 ?
C29 C71 Y7 85(5) 6_565 6_565 ?
C28 C71 Y7 127(4) 6_565 6_565 ?
C50 C71 Y7 84(2) . 6_565 ?
C84 C71 Y7 113(3) . 6_565 ?
C72 C71 Y7 43(2) . 6_565 ?
C30 C71 Y7 56.8(17) 6_565 6_565 ?
C49 C71 Y7 107(2) 6_565 6_565 ?
C30 C72 C29 94(3) 6_565 6_565 ?
C30 C72 C31 79(3) 6_565 6_565 ?
C29 C72 C31 144(4) 6_565 6_565 ?
C30 C72 C89 148(5) 6_565 . ?
C29 C72 C89 91(2) 6_565 . ?
C31 C72 C89 78(2) 6_565 . ?
C30 C72 C73 66(3) 6_565 . ?
C29 C72 C73 159(3) 6_565 . ?
C31 C72 C73 40.6(14) 6_565 . ?
C89 C72 C73 108.4(13) . . ?
C30 C72 C71 84(3) 6_565 . ?
C29 C72 C71 31(2) 6_565 . ?
C31 C72 C71 161(3) 6_565 . ?
C89 C72 C71 114(2) . . ?
C73 C72 C71 135(3) . . ?
C30 C72 C14 135(4) 6_565 6_565 ?
C29 C72 C14 59.7(17) 6_565 6_565 ?
C31 C72 C14 100(2) 6_565 6_565 ?
C89 C72 C14 32.2(15) . 6_565 ?
C73 C72 C14 138(2) . 6_565 ?
C71 C72 C14 87(2) . 6_565 ?
C30 C72 Y4 118(4) 6_565 6_565 ?
C29 C72 Y4 100(3) 6_565 6_565 ?
C31 C72 Y4 115(2) 6_565 6_565 ?
C89 C72 Y4 92(3) . 6_565 ?
C73 C72 Y4 87(2) . 6_565 ?
C71 C72 Y4 80(2) . 6_565 ?
C14 C72 Y4 103(2) 6_565 6_565 ?
C30 C72 C15 124(4) 6_565 6_565 ?
C29 C72 C15 108(3) 6_565 6_565 ?
C31 C72 C15 53.0(14) 6_565 6_565 ?
C89 C72 C15 26.0(14) . 6_565 ?
C73 C72 C15 88.1(15) . 6_565 ?
C71 C72 C15 137(2) . 6_565 ?
C14 C72 C15 49.8(12) 6_565 6_565 ?
C30 C72 C51 47(3) 6_565 6_565 ?
C29 C72 C51 103(2) 6_565 6_565 ?
C31 C72 C51 98(2) 6_565 6_565 ?
C89 C72 C51 159(3) . 6_565 ?
C73 C72 C51 60.3(17) . 6_565 ?
C71 C72 C51 75.0(19) . 6_565 ?
C14 C72 C51 162(2) 6_565 6_565 ?
C15 C72 C51 148(2) 6_565 6_565 ?
C30 C72 Y7 106(3) 6_565 6_565 ?
C29 C72 Y7 131(4) 6_565 6_565 ?
C31 C72 Y7 84.4(19) 6_565 6_565 ?
C89 C72 Y7 94(2) . 6_565 ?
C73 C72 Y7 56.5(17) . 6_565 ?
C71 C72 Y7 107(3) . 6_565 ?
C14 C72 Y7 119(2) 6_565 6_565 ?
C15 C72 Y7 96.1(16) 6_565 6_565 ?
C51 C72 Y7 65.5(14) 6_565 6_565 ?
C30 C72 Y6 134(3) 6_565 6_565 ?
C29 C72 Y6 124(3) 6_565 6_565 ?
C31 C72 Y6 83.0(19) 6_565 6_565 ?
C89 C72 Y6 65(2) . 6_565 ?
C73 C72 Y6 72.8(17) . 6_565 ?
C71 C72 Y6 114(3) . 6_565 ?
C14 C72 Y6 90.6(17) 6_565 6_565 ?
C15 C72 Y6 72.0(14) 6_565 6_565 ?
C51 C72 Y6 94.4(19) 6_565 6_565 ?
C31 C73 C30 73.4(19) 6_565 6_565 ?
C31 C73 C32 73(2) 6_565 6_565 ?
C30 C73 C32 146(2) 6_565 6_565 ?
C31 C73 C74 64(2) 6_565 . ?
C30 C73 C74 132.5(17) 6_565 . ?
C32 C73 C74 19.1(17) 6_565 . ?
C31 C73 C72 63(2) 6_565 . ?
C30 C73 C72 32.9(15) 6_565 . ?
C32 C73 C72 123.2(17) 6_565 . ?
C74 C73 C72 105.0(12) . . ?
C31 C73 C52 171(4) 6_565 . ?
C30 C73 C52 106.0(19) 6_565 . ?
C32 C73 C52 107.8(19) 6_565 . ?
C74 C73 C52 119.7(19) . . ?
C72 C73 C52 122(3) . . ?
C31 C73 C53 128(3) 6_565 6_565 ?
C30 C73 C53 159(2) 6_565 6_565 ?
C32 C73 C53 55.0(13) 6_565 6_565 ?
C74 C73 C53 67.0(15) . 6_565 ?
C72 C73 C53 150(3) . 6_565 ?
C52 C73 C53 53.2(11) . 6_565 ?
C31 C73 C51 128(3) 6_565 6_565 ?
C30 C73 C51 54.3(13) 6_565 6_565 ?
C32 C73 C51 159(2) 6_565 6_565 ?
C74 C73 C51 157(3) . 6_565 ?
C72 C73 C51 71(2) . 6_565 ?
C52 C73 C51 53.1(11) . 6_565 ?
C53 C73 C51 104.5(15) 6_565 6_565 ?
C31 C73 Y7 116(3) 6_565 6_565 ?
C30 C73 Y7 103(2) 6_565 6_565 ?
C32 C73 Y7 90(2) 6_565 6_565 ?
C74 C73 Y7 80.2(18) . 6_565 ?
C72 C73 Y7 81(2) . 6_565 ?
C52 C73 Y7 73.1(16) . 6_565 ?
C53 C73 Y7 69.6(15) 6_565 6_565 ?
C51 C73 Y7 76.3(15) 6_565 6_565 ?
C31 C73 Y4 101(3) 6_565 6_565 ?
C30 C73 Y4 72.4(16) 6_565 6_565 ?
C32 C73 Y4 112(2) 6_565 6_565 ?
C74 C73 Y4 96.4(17) . 6_565 ?
C72 C73 Y4 50.7(18) . 6_565 ?
C52 C73 Y4 87.1(18) . 6_565 ?
C53 C73 Y4 100.0(17) 6_565 6_565 ?
C51 C73 Y4 62.7(13) 6_565 6_565 ?
C31 C73 Y6 88(2) 6_565 6_565 ?
C30 C73 Y6 98.9(18) 6_565 6_565 ?
C32 C73 Y6 77.2(19) 6_565 6_565 ?
C74 C73 Y6 61.6(16) . 6_565 ?
C72 C73 Y6 68.1(17) . 6_565 ?
C52 C73 Y6 101.3(19) . 6_565 ?
C53 C73 Y6 83.3(15) 6_565 6_565 ?
C51 C73 Y6 96.4(17) 6_565 6_565 ?
C31 C73 Y7 139(3) 6_565 . ?
C30 C73 Y7 105.4(19) 6_565 . ?
C32 C73 Y7 98(2) 6_565 . ?
C74 C73 Y7 94.4(18) . . ?
C72 C73 Y7 93(2) . . ?
C52 C73 Y7 50.7(14) . . ?
C53 C73 Y7 59.8(13) 6_565 . ?
C51 C73 Y7 63.5(12) 6_565 . ?
Y7 C73 Y7 22.4(6) 6_565 . ?
Y4 C73 Y7 43.5(6) 6_565 . ?
Y6 C73 Y7 50.9(8) 6_565 . ?
C32 C74 C33 116(5) 6_565 6_565 ?
C32 C74 C31 89(5) 6_565 6_565 ?
C33 C74 C31 150(2) 6_565 6_565 ?
C32 C74 C75 81(4) 6_565 . ?
C33 C74 C75 44.4(14) 6_565 . ?
C31 C74 C75 165(2) 6_565 . ?
C32 C74 C73 69(5) 6_565 . ?
C33 C74 C73 161(3) 6_565 . ?
C31 C74 C73 40.7(14) 6_565 . ?
C75 C74 C73 124(2) . . ?
C32 C74 C91 159(7) 6_565 . ?
C33 C74 C91 70.4(19) 6_565 . ?
C31 C74 C91 80.7(17) 6_565 . ?
C75 C74 C91 112.3(19) . . ?
C73 C74 C91 111.9(12) . . ?
C32 C74 C53 43(5) 6_565 6_565 ?
C33 C74 C53 109(2) 6_565 6_565 ?
C31 C74 C53 100.3(18) 6_565 6_565 ?
C75 C74 C53 64.4(13) . 6_565 ?
C73 C74 C53 61.2(14) . 6_565 ?
C91 C74 C53 156(3) . 6_565 ?
C32 C74 C15 134(5) 6_565 6_565 ?
C33 C74 C15 102.7(19) 6_565 6_565 ?
C31 C74 C15 48.2(12) 6_565 6_565 ?
C75 C74 C15 144(2) . 6_565 ?
C73 C74 C15 82.4(12) . 6_565 ?
C91 C74 C15 32.5(11) . 6_565 ?
C53 C74 C15 142.0(18) 6_565 6_565 ?
C32 C74 Y6 130(6) 6_565 6_565 ?
C33 C74 Y6 85(2) 6_565 6_565 ?
C31 C74 Y6 89.4(19) 6_565 6_565 ?
C75 C74 Y6 88(2) . 6_565 ?
C73 C74 Y6 78.4(18) . 6_565 ?
C91 C74 Y6 67.9(17) . 6_565 ?
C53 C74 Y6 88.6(17) 6_565 6_565 ?
C15 C74 Y6 72.8(12) 6_565 6_565 ?
C32 C74 Y7 101(6) 6_565 6_565 ?
C33 C74 Y7 104(2) 6_565 6_565 ?
C31 C74 Y7 84.6(18) 6_565 6_565 ?
C75 C74 Y7 86(2) . 6_565 ?
C73 C74 Y7 56.9(15) . 6_565 ?
C91 C74 Y7 96.5(18) . 6_565 ?
C53 C74 Y7 60.5(13) 6_565 6_565 ?
C15 C74 Y7 91.6(13) 6_565 6_565 ?
C32 C74 Y4 112(5) 6_565 6_565 ?
C33 C74 Y4 112(2) 6_565 6_565 ?
C31 C74 Y4 67.5(16) 6_565 6_565 ?
C75 C74 Y4 105(2) . 6_565 ?
C73 C74 Y4 51.8(14) . 6_565 ?
C91 C74 Y4 80.4(15) . 6_565 ?
C53 C74 Y4 78.4(14) 6_565 6_565 ?
C15 C74 Y4 70.1(11) 6_565 6_565 ?
C33 C75 C34 78(2) 6_565 6_565 ?
C33 C75 C74 58.0(18) 6_565 . ?
C34 C75 C74 135(2) 6_565 . ?
C33 C75 C32 74.2(19) 6_565 6_565 ?
C34 C75 C32 152(2) 6_565 6_565 ?
C74 C75 C32 19.6(16) . 6_565 ?
C33 C75 C18 66.2(18) 6_565 . ?
C34 C75 C18 16(3) 6_565 . ?
C74 C75 C18 121.3(19) . . ?
C32 C75 C18 139.8(19) 6_565 . ?
C33 C75 C54 167(4) 6_565 . ?
C34 C75 C54 103(2) 6_565 . ?
C74 C75 C54 118.3(18) . . ?
C32 C75 C54 105.2(17) 6_565 . ?
C18 C75 C54 111.9(13) . . ?
C33 C75 C55 122(2) 6_565 6_565 ?
C34 C75 C55 45.6(18) 6_565 6_565 ?
C74 C75 C55 162(3) . 6_565 ?
C32 C75 C55 162.2(18) 6_565 6_565 ?
C18 C75 C55 55.7(12) . 6_565 ?
C54 C75 C55 57.4(10) . 6_565 ?
C33 C75 C53 124(2) 6_565 6_565 ?
C34 C75 C53 155(2) 6_565 6_565 ?
C74 C75 C53 66.7(14) . 6_565 ?
C32 C75 C53 53.1(11) 6_565 6_565 ?
C18 C75 C53 156(3) . 6_565 ?
C54 C75 C53 52.3(10) . 6_565 ?
C55 C75 C53 109.2(12) 6_565 6_565 ?
C33 C75 Y6 69(3) 6_565 6_565 ?
C34 C75 Y6 104(3) 6_565 6_565 ?
C74 C75 Y6 56.2(19) . 6_565 ?
C32 C75 Y6 70.2(18) 6_565 6_565 ?
C18 C75 Y6 89(2) . 6_565 ?
C54 C75 Y6 98(2) . 6_565 ?
C55 C75 Y6 106(2) 6_565 6_565 ?
C53 C75 Y6 76.8(17) 6_565 6_565 ?
C33 C75 Y7 93(3) 6_565 6_565 ?
C34 C75 Y7 121(3) 6_565 6_565 ?
C74 C75 Y7 59.6(18) . 6_565 ?
C32 C75 Y7 65.2(17) 6_565 6_565 ?
C18 C75 Y7 109(3) . 6_565 ?
C54 C75 Y7 75.8(17) . 6_565 ?
C55 C75 Y7 103.8(18) 6_565 6_565 ?
C53 C75 Y7 52.8(13) 6_565 6_565 ?
C92 C76 C35 116(7) 6_565 6_565 ?
C92 C76 C17 85(5) 6_565 6_565 ?
C35 C76 C17 122(3) 6_565 6_565 ?
C92 C76 C77 83(5) 6_565 . ?
C35 C76 C77 73(2) 6_565 . ?
C17 C76 C77 164(2) 6_565 . ?
C92 C76 C18 130(7) 6_565 . ?
C35 C76 C18 41.4(17) 6_565 . ?
C17 C76 C18 82.3(19) 6_565 . ?
C77 C76 C18 113.5(18) . . ?
C92 C76 C6 61(6) 6_565 6_565 ?
C35 C76 C6 122(3) 6_565 6_565 ?
C17 C76 C6 116(2) 6_565 6_565 ?
C77 C76 C6 48.6(14) . 6_565 ?
C18 C76 C6 161(2) . 6_565 ?
C92 C76 C90 84(5) 6_565 . ?
C35 C76 C90 151(3) 6_565 . ?
C17 C76 C90 34.3(14) 6_565 . ?
C77 C76 C90 133(2) . . ?
C18 C76 C90 109.5(18) . . ?
C6 C76 C90 85.9(19) 6_565 . ?
C92 C76 C34 127(7) 6_565 6_565 ?
C35 C76 C34 44.6(14) 6_565 6_565 ?
C17 C76 C34 78.5(18) 6_565 6_565 ?
C77 C76 C34 117.2(18) . 6_565 ?
C18 C76 C34 4(2) . 6_565 ?
C6 C76 C34 165(2) 6_565 6_565 ?
C90 C76 C34 106.6(17) . 6_565 ?
C92 C76 Y6 146(5) 6_565 6_565 ?
C35 C76 Y6 96(2) 6_565 6_565 ?
C17 C76 Y6 67.4(15) 6_565 6_565 ?
C77 C76 Y6 119.0(18) . 6_565 ?
C18 C76 Y6 68.8(19) . 6_565 ?
C6 C76 Y6 111.5(18) 6_565 6_565 ?
C90 C76 Y6 61.7(13) . 6_565 ?
C34 C76 Y6 69.2(14) 6_565 6_565 ?
C6 C77 C19 75(2) 6_565 6_565 ?
C6 C77 C36 155(2) 6_565 6_565 ?
C19 C77 C36 114(3) 6_565 6_565 ?
C6 C77 C37 125(3) 6_565 6_565 ?
C19 C77 C37 51(2) 6_565 6_565 ?
C36 C77 C37 64(2) 6_565 6_565 ?
C6 C77 C58 158(3) 6_565 . ?
C19 C77 C58 88(2) 6_565 . ?
C36 C77 C58 27.9(19) 6_565 . ?
C37 C77 C58 37.3(19) 6_565 . ?
C6 C77 C76 66(2) 6_565 . ?
C19 C77 C76 135(3) 6_565 . ?
C36 C77 C76 95(2) 6_565 . ?
C37 C77 C76 150(2) 6_565 . ?
C58 C77 C76 123(2) . . ?
C6 C77 C92 58.6(16) 6_565 6_565 ?
C19 C77 C92 133(2) 6_565 6_565 ?
C36 C77 C92 107(3) 6_565 6_565 ?
C37 C77 C92 165(2) 6_565 6_565 ?
C58 C77 C92 135(2) . 6_565 ?
C76 C77 C92 15.1(14) . 6_565 ?
C6 C77 C78 44.4(18) 6_565 . ?
C19 C77 C78 30.3(16) 6_565 . ?
C36 C77 C78 141(3) 6_565 . ?
C37 C77 C78 81(3) 6_565 . ?
C58 C77 C78 118(2) . . ?
C76 C77 C78 108(2) . . ?
C92 C77 C78 103(2) 6_565 . ?
C6 C77 C35 109(2) 6_565 6_565 ?
C19 C77 C35 160(2) 6_565 6_565 ?
C36 C77 C35 55(2) 6_565 6_565 ?
C37 C77 C35 119(2) 6_565 6_565 ?
C58 C77 C35 82.6(18) . 6_565 ?
C76 C77 C35 43.4(14) . 6_565 ?
C92 C77 C35 52.3(15) 6_565 6_565 ?
C78 C77 C35 150(2) . 6_565 ?
C19 C78 C6 117(4) 6_565 6_565 ?
C19 C78 C61 61(4) 6_565 . ?
C6 C78 C61 164(3) 6_565 . ?
C19 C78 C79 155(3) 6_565 . ?
C6 C78 C79 72(2) 6_565 . ?
C61 C78 C79 104.2(13) . . ?
C19 C78 C77 63(3) 6_565 . ?
C6 C78 C77 53.6(19) 6_565 . ?
C61 C78 C77 123(3) . . ?
C79 C78 C77 123(2) . . ?
C19 C78 C20 70(3) 6_565 6_565 ?
C6 C78 C20 154(3) 6_565 6_565 ?
C61 C78 C20 13.2(16) . 6_565 ?
C79 C78 C20 92.2(17) . 6_565 ?
C77 C78 C20 128(2) . 6_565 ?
C19 C78 C5 156(4) 6_565 6_565 ?
C6 C78 C5 49.7(17) 6_565 6_565 ?
C61 C78 C5 126.1(16) . 6_565 ?
C79 C78 C5 22.5(13) . 6_565 ?
C77 C78 C5 102(2) . 6_565 ?
C20 C78 C5 114(2) 6_565 6_565 ?
C19 C78 C37 16(3) 6_565 6_565 ?
C6 C78 C37 101(2) 6_565 6_565 ?
C61 C78 C37 75(2) . 6_565 ?
C79 C78 C37 152(2) . 6_565 ?
C77 C78 C37 48.0(17) . 6_565 ?
C20 C78 C37 83(2) 6_565 6_565 ?
C5 C78 C37 142(2) 6_565 6_565 ?
C19 C78 Y8 62(3) 6_565 6_565 ?
C6 C78 Y8 106(2) 6_565 6_565 ?
C61 C78 Y8 58.7(17) . 6_565 ?
C79 C78 Y8 92.7(14) . 6_565 ?
C77 C78 Y8 85.9(14) . 6_565 ?
C20 C78 Y8 52.8(15) 6_565 6_565 ?
C5 C78 Y8 100.0(12) 6_565 6_565 ?
C37 C78 Y8 62.0(11) 6_565 6_565 ?
C19 C78 Y2 76(3) 6_565 6_565 ?
C6 C78 Y2 105(2) 6_565 6_565 ?
C61 C78 Y2 59.5(15) . 6_565 ?
C79 C78 Y2 78.6(13) . 6_565 ?
C77 C78 Y2 97.1(14) . 6_565 ?
C20 C78 Y2 50.2(14) 6_565 6_565 ?
C5 C78 Y2 88.3(11) 6_565 6_565 ?
C37 C78 Y2 76.7(11) 6_565 6_565 ?
C5 C79 C1 120(5) 6_565 6_565 ?
C5 C79 C78 107(4) 6_565 . ?
C1 C79 C78 133(3) 6_565 . ?
C5 C79 C80 140(4) 6_565 . ?
C1 C79 C80 24(2) 6_565 . ?
C78 C79 C80 109.5(13) . . ?
C5 C79 C6 64(3) 6_565 6_565 ?
C1 C79 C6 168(4) 6_565 6_565 ?
C78 C79 C6 43.2(16) . 6_565 ?
C80 C79 C6 148(2) . 6_565 ?
C5 C79 C87 23(3) 6_565 . ?
C1 C79 C87 98(3) 6_565 . ?
C78 C79 C87 126(2) . . ?
C80 C79 C87 117(2) . . ?
C6 C79 C87 83.3(18) 6_565 . ?
C5 C79 C7 166(4) 6_565 6_565 ?
C1 C79 C7 48(2) 6_565 6_565 ?
C78 C79 C7 84.8(15) . 6_565 ?
C80 C79 C7 26.0(13) . 6_565 ?
C6 C79 C7 127(2) 6_565 6_565 ?
C87 C79 C7 143(2) . 6_565 ?
C5 C79 C4 27(2) 6_565 6_565 ?
C1 C79 C4 95(3) 6_565 6_565 ?
C78 C79 C4 127(2) . 6_565 ?
C80 C79 C4 113.1(19) . 6_565 ?
C6 C79 C4 84.9(16) 6_565 6_565 ?
C87 C79 C4 5(2) . 6_565 ?
C7 C79 C4 138(2) 6_565 6_565 ?
C5 C79 Y1 100(4) 6_565 6_565 ?
C1 C79 Y1 65(3) 6_565 6_565 ?
C78 C79 Y1 100.0(15) . 6_565 ?
C80 C79 Y1 57.9(12) . 6_565 ?
C6 C79 Y1 103.7(16) 6_565 6_565 ?
C87 C79 Y1 83.4(19) . 6_565 ?
C7 C79 Y1 69.0(14) 6_565 6_565 ?
C4 C79 Y1 78.0(13) 6_565 6_565 ?
C5 C79 Y5 94(3) 6_565 6_565 ?
C1 C79 Y5 66(3) 6_565 6_565 ?
C78 C79 Y5 103.9(16) . 6_565 ?
C80 C79 Y5 61.1(13) . 6_565 ?
C6 C79 Y5 103.4(16) 6_565 6_565 ?
C87 C79 Y5 77.5(19) . 6_565 ?
C7 C79 Y5 74.1(14) 6_565 6_565 ?
C4 C79 Y5 72.1(13) 6_565 6_565 ?
C5 C79 Y2 117(4) 6_565 6_565 ?
C1 C79 Y2 77(3) 6_565 6_565 ?
C78 C79 Y2 73.3(12) . 6_565 ?
C80 C79 Y2 60.0(11) . 6_565 ?
C6 C79 Y2 90.8(14) 6_565 6_565 ?
C87 C79 Y2 107(2) . 6_565 ?
C7 C79 Y2 56.9(12) 6_565 6_565 ?
C4 C79 Y2 102.2(14) 6_565 6_565 ?
C1 C80 C7 140(5) 6_565 6_565 ?
C1 C80 C81 102(4) 6_565 . ?
C7 C80 C81 117(3) 6_565 . ?
C1 C80 C62 142(4) 6_565 . ?
C7 C80 C62 17(3) 6_565 . ?
C81 C80 C62 113.8(18) . . ?
C1 C80 C79 35(3) 6_565 . ?
C7 C80 C79 111(3) 6_565 . ?
C81 C80 C79 130(2) . . ?
C62 C80 C79 108.1(12) . . ?
C1 C80 C2 63(3) 6_565 6_565 ?
C7 C80 C2 156(3) 6_565 6_565 ?
C81 C80 C2 39.1(16) . 6_565 ?
C62 C80 C2 151(2) . 6_565 ?
C79 C80 C2 92.5(19) . 6_565 ?
C1 C80 C8 170(5) 6_565 6_565 ?
C7 C80 C8 48(2) 6_565 6_565 ?
C81 C80 C8 71.4(16) . 6_565 ?
C62 C80 C8 42.6(13) . 6_565 ?
C79 C80 C8 144.7(17) . 6_565 ?
C2 C80 C8 109.8(18) 6_565 6_565 ?
C1 C80 C20 112(3) 6_565 6_565 ?
C7 C80 C20 38(2) 6_565 6_565 ?
C81 C80 C20 138(2) . 6_565 ?
C62 C80 C20 30.5(13) . 6_565 ?
C79 C80 C20 77.7(14) . 6_565 ?
C2 C80 C20 156(2) 6_565 6_565 ?
C8 C80 C20 71.0(15) 6_565 6_565 ?
C1 C80 C5 26(3) 6_565 6_565 ?
C7 C80 C5 124(3) 6_565 6_565 ?
C81 C80 C5 117.0(18) . 6_565 ?
C62 C80 C5 119.6(14) . 6_565 ?
C79 C80 C5 12.8(13) . 6_565 ?
C2 C80 C5 79.7(15) 6_565 6_565 ?
C8 C80 C5 150.7(17) 6_565 6_565 ?
C20 C80 C5 89.2(14) 6_565 6_565 ?
C1 C80 Y1 95(4) 6_565 6_565 ?
C7 C80 Y1 108(3) 6_565 6_565 ?
C81 C80 Y1 64.6(14) . 6_565 ?
C62 C80 Y1 91.1(14) . 6_565 ?
C79 C80 Y1 88.7(15) . 6_565 ?
C2 C80 Y1 68.2(15) 6_565 6_565 ?
C8 C80 Y1 75.6(13) 6_565 6_565 ?
C20 C80 Y1 89.4(15) 6_565 6_565 ?
C5 C80 Y1 83.1(11) 6_565 6_565 ?
C1 C80 Y5 91(4) 6_565 6_565 ?
C7 C80 Y5 114(3) 6_565 6_565 ?
C81 C80 Y5 61.2(14) . 6_565 ?
C62 C80 Y5 96.8(14) . 6_565 ?
C79 C80 Y5 87.9(15) . 6_565 ?
C2 C80 Y5 62.4(14) 6_565 6_565 ?
C8 C80 Y5 79.3(13) 6_565 6_565 ?
C20 C80 Y5 94.9(15) 6_565 6_565 ?
C5 C80 Y5 81.2(11) 6_565 6_565 ?
C1 C80 Y2 114(4) 6_565 6_565 ?
C7 C80 Y2 76(3) 6_565 6_565 ?
C81 C80 Y2 88.2(14) . 6_565 ?
C62 C80 Y2 58.7(12) . 6_565 ?
C79 C80 Y2 90.8(13) . 6_565 ?
C2 C80 Y2 101.5(16) 6_565 6_565 ?
C8 C80 Y2 58.8(11) 6_565 6_565 ?
C20 C80 Y2 57.2(13) 6_565 6_565 ?
C5 C80 Y2 92.4(11) 6_565 6_565 ?
C2 C81 C10 96(3) 6_565 6_565 ?
C2 C81 C80 83(2) 6_565 . ?
C10 C81 C80 167(3) 6_565 . ?
C2 C81 C66 152(3) 6_565 . ?
C10 C81 C66 56.5(19) 6_565 . ?
C80 C81 C66 122(2) . . ?
C2 C81 C82 35(2) 6_565 . ?
C10 C81 C82 60.6(19) 6_565 . ?
C80 C81 C82 117(2) . . ?
C66 C81 C82 116.6(19) . . ?
C2 C81 C9 157(3) 6_565 6_565 ?
C10 C81 C9 65.0(18) 6_565 6_565 ?
C80 C81 C9 112.6(19) . 6_565 ?
C66 C81 C9 10.0(17) . 6_565 ?
C82 C81 C9 123.8(19) . 6_565 ?
C2 C81 C1 60(2) 6_565 6_565 ?
C10 C81 C1 153(3) 6_565 6_565 ?
C80 C81 C1 23.5(14) . 6_565 ?
C66 C81 C1 145(2) . 6_565 ?
C82 C81 C1 94.1(19) . 6_565 ?
C9 C81 C1 135(2) 6_565 6_565 ?
C2 C81 C8 146(3) 6_565 6_565 ?
C10 C81 C8 113(2) 6_565 6_565 ?
C80 C81 C8 64.4(16) . 6_565 ?
C66 C81 C8 57.8(16) . 6_565 ?
C82 C81 C8 160(3) . 6_565 ?
C9 C81 C8 48.5(11) 6_565 6_565 ?
C1 C81 C8 87.7(17) 6_565 6_565 ?
C2 C81 C7 107(3) 6_565 6_565 ?
C10 C81 C7 154(3) 6_565 6_565 ?
C80 C81 C7 24.5(16) . 6_565 ?
C66 C81 C7 98.6(18) . 6_565 ?
C82 C81 C7 141(2) . 6_565 ?
C9 C81 C7 89.6(16) 6_565 6_565 ?
C1 C81 C7 47.8(15) 6_565 6_565 ?
C8 C81 C7 41.1(10) 6_565 6_565 ?
C2 C81 Y1 85(3) 6_565 6_565 ?
C10 C81 Y1 89(2) 6_565 6_565 ?
C80 C81 Y1 77.8(15) . 6_565 ?
C66 C81 Y1 88(2) . 6_565 ?
C82 C81 Y1 83(2) . 6_565 ?
C9 C81 Y1 82.8(15) 6_565 6_565 ?
C1 C81 Y1 78.7(16) 6_565 6_565 ?
C8 C81 Y1 78.0(14) 6_565 6_565 ?
C7 C81 Y1 82.2(15) 6_565 6_565 ?
C2 C81 Y5 80(3) 6_565 6_565 ?
C10 C81 Y5 82(2) 6_565 6_565 ?
C80 C81 Y5 84.6(16) . 6_565 ?
C66 C81 Y5 89(2) . 6_565 ?
C82 C81 Y5 75(2) . 6_565 ?
C9 C81 Y5 84.8(16) 6_565 6_565 ?
C1 C81 Y5 82.8(17) 6_565 6_565 ?
C8 C81 Y5 85.7(14) 6_565 6_565 ?
C7 C81 Y5 90.6(15) 6_565 6_565 ?
C2 C81 Y9 100(3) 6_565 6_565 ?
C10 C81 Y9 67(2) 6_565 6_565 ?
C80 C81 Y9 100.1(19) . 6_565 ?
C66 C81 Y9 65(2) . 6_565 ?
C82 C81 Y9 85(2) . 6_565 ?
C9 C81 Y9 61.6(15) 6_565 6_565 ?
C1 C81 Y9 104(2) 6_565 6_565 ?
C8 C81 Y9 76.0(15) 6_565 6_565 ?
C7 C81 Y9 97.0(17) 6_565 6_565 ?
Y1 C81 Y9 26.0(11) 6_565 6_565 ?
Y5 C81 Y9 24.3(11) 6_565 6_565 ?
C2 C82 C10 95(3) 6_565 6_565 ?
C2 C82 C3 80(3) 6_565 6_565 ?
C10 C82 C3 160(4) 6_565 6_565 ?
C2 C82 C81 47(3) 6_565 . ?
C10 C82 C81 48.1(16) 6_565 . ?
C3 C82 C81 123(3) 6_565 . ?
C2 C82 C83 165(5) 6_565 . ?
C10 C82 C83 77(2) 6_565 . ?
C3 C82 C83 104.4(19) 6_565 . ?
C81 C82 C83 123(2) . . ?
C2 C82 C86 74(3) 6_565 . ?
C10 C82 C86 152(4) 6_565 . ?
C3 C82 C86 8(3) 6_565 . ?
C81 C82 C86 116(3) . . ?
C83 C82 C86 107.7(13) . . ?
C2 C82 C11 138(4) 6_565 6_565 ?
C10 C82 C11 44.1(15) 6_565 6_565 ?
C3 C82 C11 134(2) 6_565 6_565 ?
C81 C82 C11 91.3(17) . 6_565 ?
C83 C82 C11 32.5(13) . 6_565 ?
C86 C82 C11 135(2) . 6_565 ?
C2 C82 C13 121(3) 6_565 6_565 ?
C10 C82 C13 130(2) 6_565 6_565 ?
C3 C82 C13 44.3(15) 6_565 6_565 ?
C81 C82 C13 147(3) . 6_565 ?
C83 C82 C13 60.5(13) . 6_565 ?
C86 C82 C13 47.3(12) . 6_565 ?
C11 C82 C13 90.4(16) 6_565 6_565 ?
C2 C82 C12 160(4) 6_565 6_565 ?
C10 C82 C12 91.4(19) 6_565 6_565 ?
C3 C82 C12 88.0(18) 6_565 6_565 ?
C81 C82 C12 135(2) . 6_565 ?
C83 C82 C12 16.5(11) . 6_565 ?
C86 C82 C12 91.2(13) . 6_565 ?
C11 C82 C12 47.9(10) 6_565 6_565 ?
C13 C82 C12 44.0(9) 6_565 6_565 ?
C2 C82 Y5 78(4) 6_565 6_565 ?
C10 C82 Y5 75.1(19) 6_565 6_565 ?
C3 C82 Y5 85(2) 6_565 6_565 ?
C81 C82 Y5 67.9(19) . 6_565 ?
C83 C82 Y5 88(2) . 6_565 ?
C86 C82 Y5 78(3) . 6_565 ?
C11 C82 Y5 81.2(16) 6_565 6_565 ?
C13 C82 Y5 79.4(16) 6_565 6_565 ?
C12 C82 Y5 85.2(13) 6_565 6_565 ?
C2 C82 Y1 71(4) 6_565 6_565 ?
C10 C82 Y1 72.7(18) 6_565 6_565 ?
C3 C82 Y1 88(2) 6_565 6_565 ?
C81 C82 Y1 60.4(18) . 6_565 ?
C83 C82 Y1 95(2) . 6_565 ?
C86 C82 Y1 80(3) . 6_565 ?
C11 C82 Y1 84.8(16) 6_565 6_565 ?
C13 C82 Y1 86.5(17) 6_565 6_565 ?
C12 C82 Y1 93.0(14) 6_565 6_565 ?
C2 C82 Y9 91(4) 6_565 6_565 ?
C10 C82 Y9 57.3(17) 6_565 6_565 ?
C3 C82 Y9 104(2) 6_565 6_565 ?
C81 C82 Y9 65.9(19) . 6_565 ?
C83 C82 Y9 74(2) . 6_565 ?
C86 C82 Y9 97(3) . 6_565 ?
C11 C82 Y9 61.0(17) 6_565 6_565 ?
C13 C82 Y9 86.0(17) 6_565 6_565 ?
C12 C82 Y9 76.1(16) 6_565 6_565 ?
Y5 C82 Y9 21.0(11) 6_565 6_565 ?
Y1 C82 Y9 23.9(12) 6_565 6_565 ?
C12 C83 C11 136(5) 6_565 6_565 ?
C12 C83 C68 104(3) 6_565 . ?
C11 C83 C68 33(2) 6_565 . ?
C12 C83 C82 131(3) 6_565 . ?
C11 C83 C82 87(3) 6_565 . ?
C68 C83 C82 119(2) . . ?
C12 C83 C85 21(3) 6_565 . ?
C11 C83 C85 148(4) 6_565 . ?
C68 C83 C85 120(2) . . ?
C82 C83 C85 109.7(13) . . ?
C12 C83 C10 160(5) 6_565 6_565 ?
C11 C83 C10 38(2) 6_565 6_565 ?
C68 C83 C10 70.6(18) . 6_565 ?
C82 C83 C10 48.4(16) . 6_565 ?
C85 C83 C10 147(3) . 6_565 ?
C12 C83 C13 57(2) 6_565 6_565 ?
C11 C83 C13 148(4) 6_565 6_565 ?
C68 C83 C13 146(3) . 6_565 ?
C82 C83 C13 74.0(14) . 6_565 ?
C85 C83 C13 35.8(13) . 6_565 ?
C10 C83 C13 118(2) 6_565 6_565 ?
C12 C83 C27 33(2) 6_565 6_565 ?
C11 C83 C27 104(3) 6_565 6_565 ?
C68 C83 C27 70.9(14) . 6_565 ?
C82 C83 C27 154(2) . 6_565 ?
C85 C83 C27 50.9(14) . 6_565 ?
C10 C83 C27 137(2) 6_565 6_565 ?
C13 C83 C27 85.9(16) 6_565 6_565 ?
C12 C83 Y5 102(4) 6_565 6_565 ?
C11 C83 Y5 76(3) 6_565 6_565 ?
C68 C83 Y5 88(2) . 6_565 ?
C82 C83 Y5 59.1(18) . 6_565 ?
C85 C83 Y5 88(2) . 6_565 ?
C10 C83 Y5 59.6(13) 6_565 6_565 ?
C13 C83 Y5 72.4(16) 6_565 6_565 ?
C27 C83 Y5 99.7(15) 6_565 6_565 ?
C12 C83 Y9 102(4) 6_565 6_565 ?
C11 C83 Y9 60(3) 6_565 6_565 ?
C68 C83 Y9 65(2) . 6_565 ?
C82 C83 Y9 77(2) . 6_565 ?
C85 C83 Y9 96(2) . 6_565 ?
C10 C83 Y9 58.5(15) 6_565 6_565 ?
C13 C83 Y9 91(2) 6_565 6_565 ?
C27 C83 Y9 87.5(18) 6_565 6_565 ?
Y5 C83 Y9 22.8(13) 6_565 6_565 ?
C12 C83 Y1 107(4) 6_565 6_565 ?
C11 C83 Y1 73(3) 6_565 6_565 ?
C68 C83 Y1 87(2) . 6_565 ?
C82 C83 Y1 55.1(18) . 6_565 ?
C85 C83 Y1 93(2) . 6_565 ?
C10 C83 Y1 54.5(12) 6_565 6_565 ?
C13 C83 Y1 75.3(16) 6_565 6_565 ?
C27 C83 Y1 104.6(15) 6_565 6_565 ?
C28 C84 C27 110(4) 6_565 6_565 ?
C28 C84 C70 73(3) 6_565 . ?
C27 C84 C70 38.7(18) 6_565 . ?
C28 C84 C85 171(4) 6_565 . ?
C27 C84 C85 79(2) 6_565 . ?
C70 C84 C85 115(2) . . ?
C28 C84 C71 45(3) 6_565 . ?
C27 C84 C71 154(3) 6_565 . ?
C70 C84 C71 115(2) . . ?
C85 C84 C71 126(3) . . ?
C28 C84 C29 75(3) 6_565 6_565 ?
C27 C84 C29 174(3) 6_565 6_565 ?
C70 C84 C29 147(2) . 6_565 ?
C85 C84 C29 96(2) . 6_565 ?
C71 C84 C29 31.7(18) . 6_565 ?
C28 C84 C12 164(4) 6_565 6_565 ?
C27 C84 C12 54.6(16) 6_565 6_565 ?
C70 C84 C12 90.5(17) . 6_565 ?
C85 C84 C12 24.3(13) . 6_565 ?
C71 C84 C12 149(3) . 6_565 ?
C29 C84 C12 120(2) 6_565 6_565 ?
C28 C84 C49 17(3) 6_565 6_565 ?
C27 C84 C49 99(2) 6_565 6_565 ?
C70 C84 C49 60.9(13) . 6_565 ?
C85 C84 C49 164(3) . 6_565 ?
C71 C84 C49 54.7(15) . 6_565 ?
C29 C84 C49 86.3(18) 6_565 6_565 ?
C12 C84 C49 148.5(19) 6_565 6_565 ?
C28 C84 Y4 78(4) 6_565 6_565 ?
C27 C84 Y4 128(3) 6_565 6_565 ?
C70 C84 Y4 108(2) . 6_565 ?
C85 C84 Y4 95(3) . 6_565 ?
C71 C84 Y4 49(2) . 6_565 ?
C29 C84 Y4 54.8(19) 6_565 6_565 ?
C12 C84 Y4 107.3(18) 6_565 6_565 ?
C49 C84 Y4 73.2(13) 6_565 6_565 ?
C12 C85 C13 109(3) 6_565 6_565 ?
C12 C85 C84 107(3) 6_565 . ?
C13 C85 C84 138(4) 6_565 . ?
C12 C85 C83 21(2) 6_565 . ?
C13 C85 C83 89(2) 6_565 . ?
C84 C85 C83 124(2) . . ?
C12 C85 C88 126(3) 6_565 . ?
C13 C85 C88 18.0(19) 6_565 . ?
C84 C85 C88 125(3) . . ?
C83 C85 C88 106.4(13) . . ?
C12 C85 C27 67(2) 6_565 6_565 ?
C13 C85 C27 164(5) 6_565 6_565 ?
C84 C85 C27 40.5(15) . 6_565 ?
C83 C85 C27 85.2(18) . 6_565 ?
C88 C85 C27 164(3) . 6_565 ?
C12 C85 C14 166(3) 6_565 6_565 ?
C13 C85 C14 58(2) 6_565 6_565 ?
C84 C85 C14 85(2) . 6_565 ?
C83 C85 C14 146(2) . 6_565 ?
C88 C85 C14 40.7(18) . 6_565 ?
C27 C85 C14 125(2) 6_565 6_565 ?
C12 C85 Y5 77(3) 6_565 6_565 ?
C13 C85 Y5 64(3) 6_565 6_565 ?
C84 C85 Y5 105(3) . 6_565 ?
C83 C85 Y5 62.9(19) . 6_565 ?
C88 C85 Y5 77(2) . 6_565 ?
C27 C85 Y5 100.1(18) 6_565 6_565 ?
C14 C85 Y5 93.7(19) 6_565 6_565 ?
C3 C86 C4 134(10) 6_565 6_565 ?
C3 C86 C13 65(10) 6_565 6_565 ?
C4 C86 C13 123(3) 6_565 6_565 ?
C3 C86 C88 72(10) 6_565 . ?
C4 C86 C88 102(2) 6_565 . ?
C13 C86 C88 23.3(14) 6_565 . ?
C3 C86 C82 67(10) 6_565 . ?
C4 C86 C82 149(3) 6_565 . ?
C13 C86 C82 83.6(15) 6_565 . ?
C88 C86 C82 106.5(13) . . ?
C3 C86 C87 136(10) 6_565 . ?
C4 C86 C87 14.0(18) 6_565 . ?
C13 C86 C87 137(2) 6_565 . ?
C88 C86 C87 116(2) . . ?
C82 C86 C87 136(3) . . ?
C3 C86 C2 88(10) 6_565 6_565 ?
C4 C86 C2 117(3) 6_565 6_565 ?
C13 C86 C2 116(2) 6_565 6_565 ?
C88 C86 C2 139(2) . 6_565 ?
C82 C86 C2 32.7(15) . 6_565 ?
C87 C86 C2 103(3) . 6_565 ?
C3 C86 Y5 126(10) 6_565 6_565 ?
C4 C86 Y5 100(3) 6_565 6_565 ?
C13 C86 Y5 85(3) 6_565 6_565 ?
C88 C86 Y5 98(3) . 6_565 ?
C82 C86 Y5 66(2) . 6_565 ?
C87 C86 Y5 96(4) . 6_565 ?
C2 C86 Y5 65(2) 6_565 6_565 ?
C3 C86 Y1 129(10) 6_565 6_565 ?
C4 C86 Y1 97(3) 6_565 6_565 ?
C13 C86 Y1 92(3) 6_565 6_565 ?
C88 C86 Y1 105(3) . 6_565 ?
C82 C86 Y1 66(2) . 6_565 ?
C87 C86 Y1 92(3) . 6_565 ?
C2 C86 Y1 61(2) 6_565 6_565 ?
C4 C87 C5 158(10) 6_565 6_565 ?
C4 C87 C90 72(6) 6_565 . ?
C5 C87 C90 100(3) 6_565 . ?
C4 C87 C86 55(6) 6_565 . ?
C5 C87 C86 118(4) 6_565 . ?
C90 C87 C86 121(2) . . ?
C4 C87 C16 40(5) 6_565 6_565 ?
C5 C87 C16 132(4) 6_565 6_565 ?
C90 C87 C16 32.8(13) . 6_565 ?
C86 C87 C16 93.8(19) . 6_565 ?
C4 C87 C3 55(5) 6_565 6_565 ?
C5 C87 C3 120(4) 6_565 6_565 ?
C90 C87 C3 124(2) . 6_565 ?
C86 C87 C3 5(3) . 6_565 ?
C16 C87 C3 95(2) 6_565 6_565 ?
C4 C87 C79 149(10) 6_565 . ?
C5 C87 C79 14.9(19) 6_565 . ?
C90 C87 C79 111(3) . . ?
C86 C87 C79 103(3) . . ?
C16 C87 C79 140(4) 6_565 . ?
C3 C87 C79 105(3) 6_565 . ?
C4 C87 Y5 81(10) 6_565 6_565 ?
C5 C87 Y5 79(3) 6_565 6_565 ?
C90 C87 Y5 96(3) . 6_565 ?
C86 C87 Y5 54(3) . 6_565 ?
C16 C87 Y5 94(2) 6_565 6_565 ?
C3 C87 Y5 60(2) 6_565 6_565 ?
C79 C87 Y5 68(2) . 6_565 ?
C4 C87 Y1 87(10) 6_565 6_565 ?
C5 C87 Y1 73(3) 6_565 6_565 ?
C90 C87 Y1 98(3) . 6_565 ?
C86 C87 Y1 59(3) . 6_565 ?
C16 C87 Y1 99(2) 6_565 6_565 ?
C3 C87 Y1 64(2) 6_565 6_565 ?
C79 C87 Y1 62(2) . 6_565 ?
C13 C88 C14 111(6) 6_565 6_565 ?
C13 C88 C3 73(4) 6_565 6_565 ?
C14 C88 C3 163(4) 6_565 6_565 ?
C13 C88 C89 126(8) 6_565 . ?
C14 C88 C89 38(2) 6_565 . ?
C3 C88 C89 126(3) 6_565 . ?
C13 C88 C86 75(4) 6_565 . ?
C14 C88 C86 154(4) 6_565 . ?
C3 C88 C86 9(3) 6_565 . ?
C89 C88 C86 118(3) . . ?
C13 C88 C85 33(4) 6_565 . ?
C14 C88 C85 81(3) 6_565 . ?
C3 C88 C85 105.0(19) 6_565 . ?
C89 C88 C85 108(3) . . ?
C86 C88 C85 108.0(14) . . ?
C13 C88 C15 147(7) 6_565 6_565 ?
C14 C88 C15 47.8(15) 6_565 6_565 ?
C3 C88 C15 120(2) 6_565 6_565 ?
C89 C88 C15 21.0(17) . 6_565 ?
C86 C88 C15 113.3(19) . 6_565 ?
C85 C88 C15 126(3) . 6_565 ?
C13 C88 C12 16(4) 6_565 6_565 ?
C14 C88 C12 99(3) 6_565 6_565 ?
C3 C88 C12 87.1(18) 6_565 6_565 ?
C89 C88 C12 123(3) . 6_565 ?
C86 C88 C12 90.8(13) . 6_565 ?
C85 C88 C12 18.2(11) . 6_565 ?
C15 C88 C12 143(2) 6_565 6_565 ?
C13 C88 Y5 54(6) 6_565 6_565 ?
C14 C88 Y5 109(3) 6_565 6_565 ?
C3 C88 Y5 59(2) 6_565 6_565 ?
C89 C88 Y5 90(2) . 6_565 ?
C86 C88 Y5 53(2) . 6_565 ?
C85 C88 Y5 75(2) . 6_565 ?
C15 C88 Y5 103.8(17) 6_565 6_565 ?
C12 C88 Y5 67.6(12) 6_565 6_565 ?
C15 C89 C14 120(5) 6_565 6_565 ?
C15 C89 C88 119(4) 6_565 . ?
C14 C89 C88 51(2) 6_565 . ?
C15 C89 C91 43(2) 6_565 . ?
C14 C89 C91 158(5) 6_565 . ?
C88 C89 C91 119(2) . . ?
C15 C89 C72 98(3) 6_565 . ?
C14 C89 C72 83(3) 6_565 . ?
C88 C89 C72 131(2) . . ?
C91 C89 C72 109.9(13) . . ?
C15 C89 C16 58(3) 6_565 6_565 ?
C14 C89 C16 135(3) 6_565 6_565 ?
C88 C89 C16 87.9(18) . 6_565 ?
C91 C89 C16 31.3(13) . 6_565 ?
C72 C89 C16 140.9(17) . 6_565 ?
C15 C89 C31 52(2) 6_565 6_565 ?
C14 C89 C31 115(3) 6_565 6_565 ?
C88 C89 C31 160(3) . 6_565 ?
C91 C89 C31 67.9(14) . 6_565 ?
C72 C89 C31 47.9(15) . 6_565 ?
C16 C89 C31 98.0(19) 6_565 6_565 ?
C15 C89 C13 133(4) 6_565 6_565 ?
C14 C89 C13 50(2) 6_565 6_565 ?
C88 C89 C13 15(2) . 6_565 ?
C91 C89 C13 126.9(19) . 6_565 ?
C72 C89 C13 121(2) . 6_565 ?
C16 C89 C13 96.0(17) 6_565 6_565 ?
C31 C89 C13 164(2) 6_565 6_565 ?
C15 C89 C29 121(3) 6_565 6_565 ?
C14 C89 C29 47(2) 6_565 6_565 ?
C88 C89 C29 94(2) . 6_565 ?
C91 C89 C29 146.9(17) . 6_565 ?
C72 C89 C29 37.2(15) . 6_565 ?
C16 C89 C29 178(2) 6_565 6_565 ?
C31 C89 C29 80.5(15) 6_565 6_565 ?
C13 C89 C29 85.7(16) 6_565 6_565 ?
C15 C89 Y6 102(3) 6_565 6_565 ?
C14 C89 Y6 135(4) 6_565 6_565 ?
C88 C89 Y6 122(3) . 6_565 ?
C91 C89 Y6 67.0(17) . 6_565 ?
C72 C89 Y6 74(2) . 6_565 ?
C16 C89 Y6 80.5(16) 6_565 6_565 ?
C31 C89 Y6 77.9(14) 6_565 6_565 ?
C13 C89 Y6 112(2) 6_565 6_565 ?
C29 C89 Y6 98(2) 6_565 6_565 ?
C15 C89 Y4 123(3) 6_565 6_565 ?
C14 C89 Y4 102(3) 6_565 6_565 ?
C88 C89 Y4 117(3) . 6_565 ?
C91 C89 Y4 99.7(19) . 6_565 ?
C72 C89 Y4 48(2) . 6_565 ?
C16 C89 Y4 115.6(18) 6_565 6_565 ?
C31 C89 Y4 77.7(14) 6_565 6_565 ?
C13 C89 Y4 102.6(19) 6_565 6_565 ?
C29 C89 Y4 63.0(16) 6_565 6_565 ?
C15 C89 Y7 100(3) 6_565 6_565 ?
C14 C89 Y7 125(3) 6_565 6_565 ?
C88 C89 Y7 137(3) . 6_565 ?
C91 C89 Y7 76.1(15) . 6_565 ?
C72 C89 Y7 53.0(17) . 6_565 ?
C16 C89 Y7 97.4(15) 6_565 6_565 ?
C31 C89 Y7 61.9(12) 6_565 6_565 ?
C13 C89 Y7 123(2) 6_565 6_565 ?
C29 C89 Y7 80.9(16) 6_565 6_565 ?
C17 C90 C16 101(4) 6_565 6_565 ?
C17 C90 C4 163(4) 6_565 6_565 ?
C16 C90 C4 69(2) 6_565 6_565 ?
C17 C90 C87 161(4) 6_565 . ?
C16 C90 C87 84(3) 6_565 . ?
C4 C90 C87 15.2(17) 6_565 . ?
C17 C90 C91 75(3) 6_565 . ?
C16 C90 C91 35(2) 6_565 . ?
C4 C90 C91 101.2(18) 6_565 . ?
C87 C90 C91 116(2) . . ?
C17 C90 C76 62(2) 6_565 . ?
C16 C90 C76 153(3) 6_565 . ?
C4 C90 C76 132(2) 6_565 . ?
C87 C90 C76 119(3) . . ?
C91 C90 C76 118(2) . . ?
C17 C90 C92 63(2) 6_565 6_565 ?
C16 C90 C92 163(3) 6_565 6_565 ?
C4 C90 C92 127(2) 6_565 6_565 ?
C87 C90 C92 112(3) . 6_565 ?
C91 C90 C92 129(2) . 6_565 ?
C76 C90 C92 14.9(14) . 6_565 ?
C17 C90 C5 141(3) 6_565 6_565 ?
C16 C90 C5 117(3) 6_565 6_565 ?
C4 C90 C5 47.4(12) 6_565 6_565 ?
C87 C90 C5 33(2) . 6_565 ?
C91 C90 C5 144.3(18) . 6_565 ?
C76 C90 C5 85.6(17) . 6_565 ?
C92 C90 C5 79.9(15) 6_565 6_565 ?
C17 C90 C33 33(2) 6_565 6_565 ?
C16 C90 C33 85(3) 6_565 6_565 ?
C4 C90 C33 151(2) 6_565 6_565 ?
C87 C90 C33 164(2) . 6_565 ?
C91 C90 C33 50.8(13) . 6_565 ?
C76 C90 C33 69.7(13) . 6_565 ?
C92 C90 C33 78.8(14) 6_565 6_565 ?
C5 C90 C33 152.4(18) 6_565 6_565 ?
C17 C90 Y6 90(3) 6_565 6_565 ?
C16 C90 Y6 70(3) 6_565 6_565 ?
C4 C90 Y6 100.1(19) 6_565 6_565 ?
C87 C90 Y6 109(2) . 6_565 ?
C91 C90 Y6 48.9(15) . 6_565 ?
C76 C90 Y6 87.8(16) . 6_565 ?
C92 C90 Y6 102.7(15) 6_565 6_565 ?
C5 C90 Y6 111.9(14) 6_565 6_565 ?
C33 C90 Y6 56.8(10) 6_565 6_565 ?
C16 C91 C15 100(3) 6_565 6_565 ?
C16 C91 C89 92(3) 6_565 . ?
C15 C91 C89 31(2) 6_565 . ?
C16 C91 C74 161(3) 6_565 . ?
C15 C91 C74 98(2) 6_565 . ?
C89 C91 C74 104.5(12) . . ?
C16 C91 C90 32.7(19) 6_565 . ?
C15 C91 C90 132(2) 6_565 . ?
C89 C91 C90 116.8(19) . . ?
C74 C91 C90 129(2) . . ?
C16 C91 C17 61(2) 6_565 6_565 ?
C15 C91 C17 157(3) 6_565 6_565 ?
C89 C91 C17 150(2) . 6_565 ?
C74 C91 C17 100.0(18) . 6_565 ?
C90 C91 C17 33.4(13) . 6_565 ?
C16 C91 C33 114(3) 6_565 6_565 ?
C15 C91 C33 145(3) 6_565 6_565 ?
C89 C91 C33 145(2) . 6_565 ?
C74 C91 C33 47.5(14) . 6_565 ?
C90 C91 C33 82.1(17) . 6_565 ?
C17 C91 C33 53.0(12) 6_565 6_565 ?
C16 C91 C31 152(3) 6_565 6_565 ?
C15 C91 C31 51.4(17) 6_565 6_565 ?
C89 C91 C31 64.2(13) . 6_565 ?
C74 C91 C31 47.0(12) . 6_565 ?
C90 C91 C31 174(2) . 6_565 ?
C17 C91 C31 145(2) 6_565 6_565 ?
C33 C91 C31 94.2(15) 6_565 6_565 ?
C16 C91 C32 163(3) 6_565 6_565 ?
C15 C91 C32 96(2) 6_565 6_565 ?
C89 C91 C32 104.7(14) . 6_565 ?
C74 C91 C32 5.1(19) . 6_565 ?
C90 C91 C32 131.6(19) . 6_565 ?
C17 C91 C32 101.2(18) 6_565 6_565 ?
C33 C91 C32 49.5(13) 6_565 6_565 ?
C31 C91 C32 44.7(9) 6_565 6_565 ?
C16 C91 Y6 110(3) 6_565 6_565 ?
C15 C91 Y6 95(2) 6_565 6_565 ?
C89 C91 Y6 70.4(18) . 6_565 ?
C74 C91 Y6 69.0(18) . 6_565 ?
C90 C91 Y6 97(2) . 6_565 ?
C17 C91 Y6 103.4(19) 6_565 6_565 ?
C33 C91 Y6 78.2(15) 6_565 6_565 ?
C31 C91 Y6 78.1(15) 6_565 6_565 ?
C32 C91 Y6 73.6(14) 6_565 6_565 ?
C16 C91 Y7 130(3) 6_565 6_565 ?
C15 C91 Y7 90(2) 6_565 6_565 ?
C89 C91 Y7 72.4(15) . 6_565 ?
C74 C91 Y7 51.0(15) . 6_565 ?
C90 C91 Y7 114(2) . 6_565 ?
C17 C91 Y7 112.0(18) 6_565 6_565 ?
C33 C91 Y7 72.6(13) 6_565 6_565 ?
C31 C91 Y7 60.4(11) 6_565 6_565 ?
C32 C91 Y7 55.2(12) 6_565 6_565 ?
C16 C91 Y4 118(3) 6_565 6_565 ?
C15 C91 Y4 73(2) 6_565 6_565 ?
C89 C91 Y4 50.5(15) . 6_565 ?
C74 C91 Y4 69.8(14) . 6_565 ?
C90 C91 Y4 115.1(19) . 6_565 ?
C17 C91 Y4 126.4(19) 6_565 6_565 ?
C33 C91 Y4 95.0(15) 6_565 6_565 ?
C31 C91 Y4 60.9(11) 6_565 6_565 ?
C32 C91 Y4 73.1(12) 6_565 6_565 ?
C76 C92 C6 104(7) 6_565 . ?
C76 C92 C17 78(5) 6_565 . ?
C6 C92 C17 124.5(18) . . ?
C76 C92 C35 49(5) 6_565 . ?
C6 C92 C35 117(2) . . ?
C17 C92 C35 105.7(13) . . ?
C76 C92 C77 82(5) 6_565 6_565 ?
C6 C92 C77 50.8(16) . 6_565 ?
C17 C92 C77 157.6(19) . 6_565 ?
C35 C92 C77 67.8(18) . 6_565 ?
C76 C92 C90 81(5) 6_565 6_565 ?
C6 C92 C90 90.7(18) . 6_565 ?
C17 C92 C90 34.0(14) . 6_565 ?
C35 C92 C90 125.9(17) . 6_565 ?
C77 C92 C90 132(2) 6_565 6_565 ?
C76 C92 C18 41(6) 6_565 6_565 ?
C6 C92 C18 141(2) . 6_565 ?
C17 C92 C18 71.9(13) . 6_565 ?
C35 C92 C18 33.8(12) . 6_565 ?
C77 C92 C18 99.5(17) 6_565 6_565 ?
C90 C92 C18 96.1(17) 6_565 6_565 ?
C96 C95 H95A 109.5 . . ?
C96 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C96 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C109 N3 C109 104.9(5) 6_565 . ?
C109 N3 Ni1 127.5(3) 6_565 . ?
C109 N3 Ni1 127.5(3) . . ?
C100 N2 C107 104.1(4) . . ?
C100 N2 Ni1 128.0(3) . . ?
C107 N2 Ni1 127.9(3) . . ?
C98 N1 C98 104.7(5) 6_565 . ?
C98 N1 Ni1 127.7(3) 6_565 . ?
C98 N1 Ni1 127.7(3) . . ?
N2 Ni1 N2 177.4(2) 6_565 . ?
N2 Ni1 N3 90.00(10) 6_565 . ?
N2 Ni1 N3 89.99(10) . . ?
N2 Ni1 N1 89.96(10) 6_565 . ?
N2 Ni1 N1 89.97(10) . . ?
N3 Ni1 N1 178.3(2) . . ?
C97 C96 C95 112.9(5) . . ?
C97 C96 H96A 109.0 . . ?
C95 C96 H96A 109.0 . . ?
C97 C96 H96B 109.0 . . ?
C95 C96 H96B 109.0 . . ?
H96A C96 H96B 107.8 . . ?
C97 C97 C98 106.7(3) 6_565 . ?
C97 C97 C96 129.0(3) 6_565 . ?
C98 C97 C96 124.3(5) . . ?
C99 C98 N1 125.0(4) . . ?
C99 C98 C97 124.0(4) . . ?
N1 C98 C97 110.9(4) . . ?
C98 C99 C100 124.3(4) . . ?
C98 C99 H99 117.8 . . ?
C100 C99 H99 117.8 . . ?
N2 C100 C99 125.0(4) . . ?
N2 C100 C101 111.8(4) . . ?
C99 C100 C101 123.3(4) . . ?
C104 C101 C100 105.8(4) . . ?
C104 C101 C102 128.9(5) . . ?
C100 C101 C102 125.3(4) . . ?
C101 C102 C103 113.0(5) . . ?
C101 C102 H10A 109.0 . . ?
C103 C102 H10A 109.0 . . ?
C101 C102 H10B 109.0 . . ?
C103 C102 H10B 109.0 . . ?
H10A C102 H10B 107.8 . . ?
C102 C103 H10C 109.5 . . ?
C102 C103 H10D 109.5 . . ?
H10C C103 H10D 109.5 . . ?
C102 C103 H10E 109.5 . . ?
H10C C103 H10E 109.5 . . ?
H10D C103 H10E 109.5 . . ?
C101 C104 C107 106.8(4) . . ?
C101 C104 C105 128.4(5) . . ?
C107 C104 C105 124.9(4) . . ?
C104 C105 C106 112.3(5) . . ?
C104 C105 H10F 109.1 . . ?
C106 C105 H10F 109.1 . . ?
C104 C105 H10G 109.1 . . ?
C106 C105 H10G 109.1 . . ?
H10F C105 H10G 107.9 . . ?
C105 C106 H10H 109.5 . . ?
C105 C106 H10I 109.5 . . ?
H10H C106 H10I 109.5 . . ?
C105 C106 H10J 109.5 . . ?
H10H C106 H10J 109.5 . . ?
H10I C106 H10J 109.5 . . ?
N2 C107 C108 124.6(4) . . ?
N2 C107 C104 111.6(4) . . ?
C108 C107 C104 123.8(4) . . ?
C109 C108 C107 124.4(4) . . ?
C109 C108 H108 117.8 . . ?
C107 C108 H108 117.8 . . ?
C108 C109 N3 125.4(4) . . ?
C108 C109 C110 123.5(4) . . ?
N3 C109 C110 111.0(4) . . ?
C110 C110 C109 106.5(3) 6_565 . ?
C110 C110 C111 128.5(3) 6_565 . ?
C109 C110 C111 124.9(4) . . ?
C110 C111 C112 112.4(4) . . ?
C110 C111 H11A 109.1 . . ?
C112 C111 H11A 109.1 . . ?
C110 C111 H11B 109.1 . . ?
C112 C111 H11B 109.1 . . ?
H11A C111 H11B 107.9 . . ?
C111 C112 H11C 109.5 . . ?
C111 C112 H11D 109.5 . . ?
H11C C112 H11D 109.5 . . ?
C111 C112 H11E 109.5 . . ?
H11C C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
Y9 Y1 Y2 89(2) . . ?
Y9 Y1 Y8 96(2) . . ?
Y2 Y1 Y8 13.5(6) . . ?
Y9 Y1 C2 119(2) . . ?
Y2 Y1 C2 129.4(10) . . ?
Y8 Y1 C2 132.9(9) . . ?
C81 Y1 C2 27.7(9) 6_565 . ?
C81 Y1 C80 37.6(6) 6_565 6_565 ?
C2 Y1 C80 43.0(9) . 6_565 ?
Y9 Y1 C10 79.7(18) . . ?
Y2 Y1 C10 124.7(10) . . ?
Y8 Y1 C10 137.5(10) . . ?
C81 Y1 C10 28.4(9) 6_565 . ?
C2 Y1 C10 40.9(10) . . ?
C80 Y1 C10 66.0(9) 6_565 . ?
C81 Y1 C82 36.5(6) 6_565 6_565 ?
C2 Y1 C82 20.4(9) . 6_565 ?
C80 Y1 C82 62.7(8) 6_565 6_565 ?
C10 Y1 C82 32.2(9) . 6_565 ?
Y9 Y1 C1 147.0(16) . . ?
Y2 Y1 C1 97.0(8) . . ?
Y8 Y1 C1 97.2(8) . . ?
C81 Y1 C1 43.4(9) 6_565 . ?
C2 Y1 C1 36.6(6) . . ?
C80 Y1 C1 16.5(9) 6_565 . ?
C10 Y1 C1 70.1(10) . . ?
C82 Y1 C1 57.0(9) 6_565 . ?
Y9 Y1 C93 51.8(14) . . ?
Y2 Y1 C93 76.8(6) . . ?
Y8 Y1 C93 72.5(6) . . ?
C81 Y1 C93 155.6(8) 6_565 . ?
C2 Y1 C93 153.8(10) . . ?
C80 Y1 C93 162.7(9) 6_565 . ?
C10 Y1 C93 128.3(9) . . ?
C82 Y1 C93 134.6(9) 6_565 . ?
C1 Y1 C93 161.0(9) . . ?
Y9 Y1 C9 70.8(15) . . ?
Y2 Y1 C9 88.8(9) . . ?
Y8 Y1 C9 102.0(9) . . ?
C81 Y1 C9 39.8(9) 6_565 . ?
C2 Y1 C9 66.5(9) . . ?
C80 Y1 C9 63.6(9) 6_565 . ?
C10 Y1 C9 36.4(6) . . ?
C82 Y1 C9 66.6(8) 6_565 . ?
C1 Y1 C9 76.9(9) . . ?
C93 Y1 C9 120.4(8) . . ?
C81 Y1 C66 34.6(7) 6_565 6_565 ?
C2 Y1 C66 60.4(9) . 6_565 ?
C80 Y1 C66 62.5(8) 6_565 6_565 ?
C10 Y1 C66 29.2(8) . 6_565 ?
C82 Y1 C66 59.4(8) 6_565 6_565 ?
C1 Y1 C66 74.4(9) . 6_565 ?
C9 Y1 C66 7.2(8) . 6_565 ?
Y8 Y2 Y3 62.0(16) . . ?
Y8 Y2 Y1 139.9(18) . . ?
Y3 Y2 Y1 134.1(6) . . ?
Y8 Y2 Y5 137.0(17) . . ?
Y3 Y2 Y5 127.7(7) . . ?
Y1 Y2 Y5 7.1(6) . . ?
Y8 Y2 Y9 142.8(17) . . ?
Y3 Y2 Y9 96.2(19) . . ?
Y1 Y2 Y9 39.9(19) . . ?
Y5 Y2 Y9 35.7(18) . . ?
Y8 Y2 C22 100.4(15) . . ?
Y3 Y2 C22 83.1(7) . . ?
Y1 Y2 C22 116.5(9) . . ?
Y5 Y2 C22 121.4(9) . . ?
Y9 Y2 C22 106.7(11) . . ?
C22 Y2 C62 45.9(9) . 6_565 ?
C22 Y2 C63 12.2(9) . 6_565 ?
C62 Y2 C63 36.8(5) 6_565 6_565 ?
Y8 Y2 C94 70.3(11) . . ?
Y3 Y2 C94 67.5(4) . . ?
Y1 Y2 C94 83.3(6) . . ?
Y5 Y2 C94 76.8(5) . . ?
Y9 Y2 C94 73.5(10) . . ?
C22 Y2 C94 150.2(8) . . ?
C62 Y2 C94 162.3(7) 6_565 . ?
C63 Y2 C94 160.6(7) 6_565 . ?
Y8 Y2 C20 78.3(16) . . ?
Y3 Y2 C20 119.6(9) . . ?
Y1 Y2 C20 105.8(9) . . ?
Y5 Y2 C20 112.5(10) . . ?
Y9 Y2 C20 137.6(18) . . ?
C22 Y2 C20 60.5(9) . . ?
C62 Y2 C20 27.3(11) 6_565 . ?
C63 Y2 C20 56.3(10) 6_565 . ?
C94 Y2 C20 138.7(11) . . ?
Y8 Y2 C8 128.9(13) . . ?
Y3 Y2 C8 115.4(9) . . ?
Y1 Y2 C8 81.8(9) . . ?
Y5 Y2 C8 87.7(9) . . ?
Y9 Y2 C8 86.9(12) . . ?
C22 Y2 C8 36.1(6) . . ?
C62 Y2 C8 31.8(10) 6_565 . ?
C63 Y2 C8 24.2(9) 6_565 . ?
C94 Y2 C8 160.3(9) . . ?
C20 Y2 C8 58.7(9) . . ?
Y8 Y2 C21 71.9(12) . . ?
Y3 Y2 C21 87.9(7) . . ?
Y1 Y2 C21 132.8(8) . . ?
Y5 Y2 C21 139.8(7) . . ?
Y9 Y2 C21 141.1(10) . . ?
C22 Y2 C21 35.3(5) . . ?
C62 Y2 C21 40.7(8) 6_565 . ?
C63 Y2 C21 39.1(8) 6_565 . ?
C94 Y2 C21 141.4(7) . . ?
C20 Y2 C21 34.8(6) . . ?
C8 Y2 C21 57.1(7) . . ?
Y8 Y3 Y8 103.5(17) 6_565 . ?
Y8 Y3 Y2 132.6(11) 6_565 . ?
Y8 Y3 Y2 32.4(7) . . ?
Y2 Y3 Y2 151.5(7) 6_565 . ?
Y8 Y3 C42 123.9(8) 6_565 . ?
Y8 Y3 C42 108.0(9) . . ?
Y2 Y3 C42 113.0(7) 6_565 . ?
Y2 Y3 C42 94.8(7) . . ?
C42 Y3 C42 18.2(12) 6_565 . ?
Y8 Y3 C94 72.1(6) 6_565 . ?
Y8 Y3 C94 72.1(6) . . ?
Y2 Y3 C94 75.8(3) 6_565 . ?
Y2 Y3 C94 75.8(3) . . ?
C42 Y3 C94 162.1(7) 6_565 . ?
C42 Y3 C94 162.1(7) . . ?
Y8 Y3 C41 86.5(7) 6_565 . ?
Y8 Y3 C41 120.1(9) . . ?
Y2 Y3 C41 83.0(6) 6_565 . ?
Y2 Y3 C41 125.0(6) . . ?
C42 Y3 C41 25.0(7) 6_565 . ?
C42 Y3 C41 37.5(5) . . ?
C94 Y3 C41 157.8(5) . . ?
C42 Y3 C41 37.5(5) 6_565 6_565 ?
C42 Y3 C41 25.0(7) . 6_565 ?
C41 Y3 C41 42.0(10) . 6_565 ?
Y8 Y3 C93 87.7(7) 6_565 . ?
Y8 Y3 C93 87.7(7) . . ?
Y2 Y3 C93 77.6(3) 6_565 . ?
Y2 Y3 C93 77.6(3) . . ?
C42 Y3 C93 137.7(8) 6_565 . ?
C42 Y3 C93 137.7(8) . . ?
C94 Y3 C93 26.0(4) . . ?
C41 Y3 C93 152.2(7) . . ?
C41 Y3 C93 152.2(7) 6_565 . ?
C42 Y3 C22 34.3(6) 6_565 6_565 ?
C42 Y3 C22 52.1(10) . 6_565 ?
C41 Y3 C22 23.4(9) . 6_565 ?
C41 Y3 C22 64.0(8) 6_565 6_565 ?
Y8 Y3 C22 141.8(10) 6_565 . ?
Y8 Y3 C22 74.6(9) . . ?
Y2 Y3 C22 146.3(7) 6_565 . ?
Y2 Y3 C22 62.2(7) . . ?
C42 Y3 C22 52.1(10) 6_565 . ?
C42 Y3 C22 34.3(6) . . ?
C94 Y3 C22 137.7(6) . . ?
C41 Y3 C22 64.0(8) . . ?
C41 Y3 C22 23.4(9) 6_565 . ?
C93 Y3 C22 129.7(7) . . ?
C22 Y3 C22 84.1(13) 6_565 . ?
Y7 Y4 Y6 51.4(10) . . ?
C72 Y4 Y4 134.2(10) 6_565 6_565 ?
C72 Y4 Y7 120.4(11) 6_565 6_565 ?
Y7 Y4 C51 79.8(10) . . ?
Y6 Y4 C51 119.6(13) . . ?
C72 Y4 C51 57.9(13) 6_565 . ?
Y4 Y4 C51 76.3(8) 6_565 . ?
Y7 Y4 C51 75.0(9) 6_565 . ?
C72 Y4 C71 46.6(13) 6_565 6_565 ?
C51 Y4 C71 60.2(12) . 6_565 ?
C72 Y4 C73 42.3(8) 6_565 6_565 ?
C51 Y4 C73 47.1(10) . 6_565 ?
C71 Y4 C73 81.4(12) 6_565 6_565 ?
Y7 Y4 C29 126.5(9) . . ?
Y6 Y4 C29 111.4(9) . . ?
C72 Y4 C29 30.5(11) 6_565 . ?
Y4 Y4 C29 131.9(7) 6_565 . ?
Y7 Y4 C29 142.4(7) 6_565 . ?
C51 Y4 C29 67.8(9) . . ?
C71 Y4 C29 21.4(11) 6_565 . ?
C73 Y4 C29 71.6(9) 6_565 . ?
Y7 Y4 C30 90.9(8) . . ?
Y6 Y4 C30 101.6(9) . . ?
C72 Y4 C30 18.9(12) 6_565 . ?
Y4 Y4 C30 115.4(7) 6_565 . ?
Y7 Y4 C30 106.2(7) 6_565 . ?
C51 Y4 C30 39.0(6) . . ?
C71 Y4 C30 45.4(11) 6_565 . ?
C73 Y4 C30 36.0(9) 6_565 . ?
C29 Y4 C30 38.2(6) . . ?
Y7 Y4 C93 97.3(7) . . ?
Y6 Y4 C93 83.5(7) . . ?
C72 Y4 C93 157.3(11) 6_565 . ?
Y4 Y4 C93 67.4(2) 6_565 . ?
Y7 Y4 C93 80.7(4) 6_565 . ?
C51 Y4 C93 142.9(9) . . ?
C71 Y4 C93 126.7(11) 6_565 . ?
C73 Y4 C93 151.9(9) 6_565 . ?
C29 Y4 C93 134.0(7) . . ?
C30 Y4 C93 171.9(8) . . ?
C72 Y4 C89 40.1(10) 6_565 6_565 ?
C51 Y4 C89 97.3(12) . 6_565 ?
C71 Y4 C89 70.6(12) 6_565 6_565 ?
C73 Y4 C89 64.5(9) 6_565 6_565 ?
C29 Y4 C89 49.4(10) . 6_565 ?
C30 Y4 C89 58.7(10) . 6_565 ?
Y9 Y5 Y2 79(2) . . ?
Y9 Y5 C2 123(2) . . ?
Y2 Y5 C2 113.6(8) . . ?
C81 Y5 C2 27.1(9) 6_565 . ?
C81 Y5 C82 36.9(6) 6_565 6_565 ?
C2 Y5 C82 21.0(9) . 6_565 ?
Y9 Y5 C93 56.9(17) . . ?
Y2 Y5 C93 76.2(6) . . ?
C81 Y5 C93 157.4(13) 6_565 . ?
C2 Y5 C93 170.1(9) . . ?
C82 Y5 C93 149.8(9) 6_565 . ?
Y9 Y5 Y8 86(2) . . ?
Y2 Y5 Y8 12.7(5) . . ?
C81 Y5 Y8 105.1(8) 6_565 . ?
C2 Y5 Y8 119.0(9) . . ?
C82 Y5 Y8 139.2(9) 6_565 . ?
C93 Y5 Y8 70.7(6) . . ?
Y9 Y5 C10 82(2) . . ?
Y2 Y5 C10 112.6(10) . . ?
C81 Y5 C10 28.4(9) 6_565 . ?
C2 Y5 C10 41.0(10) . . ?
C82 Y5 C10 32.9(9) 6_565 . ?
C93 Y5 C10 136.4(13) . . ?
Y8 Y5 C10 124.6(9) . . ?
C81 Y5 C86 63.5(10) 6_565 6_565 ?
C2 Y5 C86 36.5(10) . 6_565 ?
C82 Y5 C86 36.0(7) 6_565 6_565 ?
C10 Y5 C86 68.9(10) . 6_565 ?
C81 Y5 C80 34.1(5) 6_565 6_565 ?
C2 Y5 C80 40.2(9) . 6_565 ?
C82 Y5 C80 60.3(8) 6_565 6_565 ?
C10 Y5 C80 62.5(9) . 6_565 ?
C86 Y5 C80 66.7(9) 6_565 6_565 ?
Y9 Y5 C94 76.1(18) . . ?
Y2 Y5 C94 61.3(5) . . ?
C81 Y5 C94 157.0(9) 6_565 . ?
C2 Y5 C94 160.2(12) . . ?
C82 Y5 C94 165.1(10) 6_565 . ?
C93 Y5 C94 25.1(4) . . ?
Y8 Y5 C94 52.1(5) . . ?
C10 Y5 C94 158.1(13) . . ?
C86 Y5 C94 131.5(11) 6_565 . ?
C80 Y5 C94 128.2(8) 6_565 . ?
Y9 Y5 C3 138(2) . . ?
Y2 Y5 C3 136.7(9) . . ?
C81 Y5 C3 61.9(10) 6_565 . ?
C2 Y5 C3 35.1(6) . . ?
C82 Y5 C3 32.7(9) 6_565 . ?
C93 Y5 C3 137.2(10) . . ?
Y8 Y5 C3 134.1(10) . . ?
C10 Y5 C3 65.6(10) . . ?
C86 Y5 C3 4.0(10) 6_565 . ?
C80 Y5 C3 67.6(9) 6_565 . ?
C94 Y5 C3 134.3(11) . . ?
Y7 Y6 Y4 54.5(15) . . ?
C91 Y6 C74 43.1(6) 6_565 6_565 ?
C91 Y6 C89 42.6(6) 6_565 6_565 ?
C74 Y6 C89 70.0(10) 6_565 6_565 ?
C91 Y6 Y7 139.1(12) 6_565 6_565 ?
C74 Y6 Y7 96.5(12) 6_565 6_565 ?
C89 Y6 Y7 131.6(15) 6_565 6_565 ?
C91 Y6 C72 70.4(10) 6_565 6_565 ?
C74 Y6 C72 67.8(10) 6_565 6_565 ?
C89 Y6 C72 40.7(7) 6_565 6_565 ?
C91 Y6 C73 70.0(9) 6_565 6_565 ?
C74 Y6 C73 40.0(6) 6_565 6_565 ?
C89 Y6 C73 67.7(9) 6_565 6_565 ?
C72 Y6 C73 39.1(7) 6_565 6_565 ?
Y7 Y6 C33 101.6(15) . . ?
Y4 Y6 C33 143.0(14) . . ?
C91 Y6 C33 42.5(10) 6_565 . ?
C74 Y6 C33 32.6(9) 6_565 . ?
C89 Y6 C33 84.1(11) 6_565 . ?
Y7 Y6 C33 109.5(11) 6_565 . ?
C72 Y6 C33 97.7(11) 6_565 . ?
C73 Y6 C33 72.3(9) 6_565 . ?
Y7 Y6 C94 90.5(9) . . ?
Y4 Y6 C94 86.5(6) . . ?
C91 Y6 C94 145.6(16) 6_565 . ?
C74 Y6 C94 150.2(10) 6_565 . ?
C89 Y6 C94 138.5(12) 6_565 . ?
Y7 Y6 C94 71.0(5) 6_565 . ?
C72 Y6 C94 136.9(13) 6_565 . ?
C73 Y6 C94 143.5(13) 6_565 . ?
C33 Y6 C94 124.9(10) . . ?
Y7 Y6 C15 111.3(15) . . ?
Y4 Y6 C15 95.0(9) . . ?
C91 Y6 C15 26.4(9) 6_565 . ?
C74 Y6 C15 51.9(9) 6_565 . ?
C89 Y6 C15 19.0(10) 6_565 . ?
Y7 Y6 C15 131.1(12) 6_565 . ?
C72 Y6 C15 45.7(10) 6_565 . ?
C73 Y6 C15 59.2(8) 6_565 . ?
C33 Y6 C15 65.7(8) . . ?
C94 Y6 C15 154.2(12) . . ?
Y7 Y6 C32 72.1(14) . . ?
Y4 Y6 C32 105.2(14) . . ?
C91 Y6 C32 51.9(9) 6_565 . ?
C74 Y6 C32 9.0(9) 6_565 . ?
C89 Y6 C32 75.6(11) 6_565 . ?
Y7 Y6 C32 87.5(11) 6_565 . ?
C72 Y6 C32 67.2(11) 6_565 . ?
C73 Y6 C32 34.7(10) 6_565 . ?
C33 Y6 C32 37.9(8) . . ?
C94 Y6 C32 145.7(10) . . ?
C15 Y6 C32 58.4(9) . . ?
Y6 Y7 Y4 74.1(10) . . ?
Y6 Y7 C53 114.7(16) . . ?
Y4 Y7 C53 143.9(10) . . ?
Y7 Y7 C53 88.5(8) 6_565 . ?
Y4 Y7 C53 118.7(9) 6_565 . ?
C73 Y7 C53 51.1(10) 6_565 . ?
Y6 Y7 C52 144.2(12) . . ?
Y4 Y7 C52 110.0(12) . . ?
Y7 Y7 C52 73.5(4) 6_565 . ?
Y4 Y7 C52 86.5(7) 6_565 . ?
C73 Y7 C52 46.6(7) 6_565 . ?
C53 Y7 C52 41.8(7) . . ?
C73 Y7 Y6 138.7(8) 6_565 6_565 ?
C53 Y7 Y6 100.4(8) . 6_565 ?
C52 Y7 Y6 92.1(5) . 6_565 ?
C73 Y7 C74 42.9(7) 6_565 6_565 ?
C53 Y7 C74 49.5(9) . 6_565 ?
C52 Y7 C74 77.4(9) . 6_565 ?
C73 Y7 C72 43.0(8) 6_565 6_565 ?
C53 Y7 C72 94.0(12) . 6_565 ?
C52 Y7 C72 78.4(10) . 6_565 ?
C74 Y7 C72 66.4(10) 6_565 6_565 ?
Y6 Y7 C51 127.7(15) . . ?
Y4 Y7 C51 69.6(11) . . ?
Y7 Y7 C51 85.2(8) 6_565 . ?
Y4 Y7 C51 72.6(9) 6_565 . ?
C73 Y7 C51 49.7(11) 6_565 . ?
C53 Y7 C51 79.1(9) . . ?
C52 Y7 C51 40.5(6) . . ?
Y6 Y7 C51 101.8(10) 6_565 . ?
C74 Y7 C51 92.6(11) 6_565 . ?
C72 Y7 C51 50.9(12) 6_565 . ?
C73 Y7 C53 71.2(10) 6_565 6_565 ?
C53 Y7 C53 27.2(13) . 6_565 ?
C52 Y7 C53 38.4(6) . 6_565 ?
C74 Y7 C53 76.4(10) 6_565 6_565 ?
C72 Y7 C53 112.4(12) 6_565 6_565 ?
C51 Y7 C53 78.2(8) . 6_565 ?
Y2 Y8 Y3 85.6(15) . . ?
Y2 Y8 Y1 26.7(13) . . ?
Y3 Y8 Y1 101.4(8) . . ?
Y8 Y8 Y1 126.1(5) 6_565 . ?
Y2 Y8 C94 90.3(11) . . ?
Y3 Y8 C94 74.4(7) . . ?
Y8 Y8 C94 62.9(6) 6_565 . ?
Y1 Y8 C94 74.3(6) . . ?
Y2 Y8 C20 82.6(17) . . ?
Y3 Y8 C20 131.6(12) . . ?
Y8 Y8 C20 142.8(10) 6_565 . ?
Y1 Y8 C20 88.2(12) . . ?
C94 Y8 C20 151.9(13) . . ?
C60 Y8 C20 39.4(10) 6_565 . ?
Y2 Y8 C21 89.7(14) . . ?
Y3 Y8 C21 97.4(11) . . ?
Y8 Y8 C21 110.2(8) 6_565 . ?
Y1 Y8 C21 108.6(10) . . ?
C94 Y8 C21 171.8(13) . . ?
C60 Y8 C21 32.8(8) 6_565 . ?
C20 Y8 C21 36.1(6) . . ?
Y2 Y8 C39 122.2(15) . . ?
Y3 Y8 C39 87.3(12) . . ?
Y8 Y8 C39 81.8(7) 6_565 . ?
Y1 Y8 C39 143.4(10) . . ?
C94 Y8 C39 141.6(12) . . ?
C60 Y8 C39 27.0(9) 6_565 . ?
C20 Y8 C39 61.1(9) . . ?
C21 Y8 C39 34.8(6) . . ?
Y2 Y8 Y5 30.3(13) . . ?
Y3 Y8 Y5 99.1(9) . . ?
Y8 Y8 Y5 121.3(5) 6_565 . ?
Y1 Y8 Y5 5.9(5) . . ?
C94 Y8 Y5 68.3(5) . . ?
C60 Y8 Y5 133.0(11) 6_565 . ?
C20 Y8 Y5 93.7(12) . . ?
C21 Y8 Y5 114.5(10) . . ?
C39 Y8 Y5 149.3(10) . . ?
C60 Y8 C40 35.2(5) 6_565 6_565 ?
C20 Y8 C40 61.6(10) . 6_565 ?
C21 Y8 C40 28.8(9) . 6_565 ?
C39 Y8 C40 13.2(7) . 6_565 ?
C60 Y8 C61 33.9(5) 6_565 6_565 ?
C20 Y8 C61 9.1(11) . 6_565 ?
C21 Y8 C61 39.0(10) . 6_565 ?
C39 Y8 C61 58.3(9) . 6_565 ?
C40 Y8 C61 61.1(8) 6_565 6_565 ?
Y5 Y9 Y1 16.5(13) . . ?
Y5 Y9 Y2 65(3) . . ?
Y1 Y9 Y2 51(2) . . ?
Y5 Y9 C93 94.5(18) . . ?
Y1 Y9 C93 99.1(18) . . ?
Y2 Y9 C93 83.4(15) . . ?
Y5 Y9 C23 126(3) . . ?
Y1 Y9 C23 114(3) . . ?
Y2 Y9 C23 93.3(16) . . ?
C93 Y9 C23 134(3) . . ?
C67 Y9 C23 39.5(9) 6_565 . ?
Y5 Y9 C9 90(3) . . ?
Y1 Y9 C9 80(3) . . ?
Y2 Y9 C9 83(2) . . ?
C93 Y9 C9 163(2) . . ?
C67 Y9 C9 38.6(10) 6_565 . ?
C23 Y9 C9 37.3(6) . . ?
C67 Y9 C66 35.3(7) 6_565 6_565 ?
C23 Y9 C66 41.9(10) . 6_565 ?
C9 Y9 C66 7.3(8) . 6_565 ?
C67 Y9 C44 34.9(8) 6_565 6_565 ?
C23 Y9 C44 25.4(9) . 6_565 ?
C9 Y9 C44 55.9(10) . 6_565 ?
C66 Y9 C44 57.6(9) 6_565 6_565 ?
Y5 Y9 C10 71(3) . . ?
Y1 Y9 C10 71(3) . . ?
Y2 Y9 C10 103(3) . . ?
C93 Y9 C10 159(2) . . ?
C67 Y9 C10 38.8(11) 6_565 . ?
C23 Y9 C10 66.7(11) . . ?
C9 Y9 C10 36.5(8) . . ?
C66 Y9 C10 29.2(9) 6_565 . ?
C44 Y9 C10 72.7(12) 6_565 . ?
Y5 Y9 Y3 97(3) . . ?
Y1 Y9 Y3 84(3) . . ?
Y2 Y9 Y3 34.6(8) . . ?
C93 Y9 Y3 66.1(12) . . ?
C67 Y9 Y3 124.5(16) 6_565 . ?
C23 Y9 Y3 85.4(14) . . ?
C9 Y9 Y3 97.1(16) . . ?
C66 Y9 Y3 104.1(17) 6_565 . ?
C44 Y9 Y3 99.8(17) 6_565 . ?
C10 Y9 Y3 129(2) . . ?
Y5 Y9 C94 78.3(18) . . ?
Y1 Y9 C94 78.7(16) . . ?
Y2 Y9 C94 60.7(10) . . ?
C93 Y9 C94 23.9(6) . . ?
C67 Y9 C94 172(3) 6_565 . ?
C23 Y9 C94 135(2) . . ?
C9 Y9 C94 144(3) . . ?
C66 Y9 C94 149(3) 6_565 . ?
C44 Y9 C94 137(3) 6_565 . ?
C10 Y9 C94 149(3) . . ?
Y3 Y9 C94 51.8(8) . . ?
C94 C93 Y9 109(2) . . ?
C94 C93 Y9 109(2) . 6_565 ?
Y9 C93 Y9 94(3) . 6_565 ?
C94 C93 Y5 88.5(7) . . ?
Y9 C93 Y5 28.7(19) . . ?
Y9 C93 Y5 120.5(18) 6_565 . ?
Y5 C93 Y5 142.5(11) 6_565 . ?
C94 C93 Y4 96.2(14) . . ?
Y9 C93 Y4 103.7(13) . . ?
Y9 C93 Y4 143.0(15) 6_565 . ?
Y5 C93 Y4 131.3(7) 6_565 . ?
Y5 C93 Y4 86.2(5) . . ?
Y4 C93 Y4 45.2(5) 6_565 . ?
C94 C93 Y3 62.8(13) . . ?
Y9 C93 Y3 67.1(14) . . ?
Y9 C93 Y3 67.1(14) 6_565 . ?
Y5 C93 Y3 72.7(5) 6_565 . ?
Y5 C93 Y3 72.7(5) . . ?
Y4 C93 Y3 149.8(6) 6_565 . ?
Y4 C93 Y3 149.8(6) . . ?
C94 C93 Y1 83.5(7) . . ?
Y9 C93 Y1 29.1(19) . . ?
Y9 C93 Y1 116.6(17) 6_565 . ?
Y5 C93 Y1 136.1(9) 6_565 . ?
Y5 C93 Y1 7.7(5) . . ?
Y4 C93 Y1 137.6(7) 6_565 . ?
Y4 C93 Y1 92.5(5) . . ?
Y3 C93 Y1 65.2(5) . . ?
C94 C93 Y2 63.6(11) . . ?
Y9 C93 Y2 47.1(17) . . ?
Y9 C93 Y2 95.9(14) 6_565 . ?
Y5 C93 Y2 105.4(7) 6_565 . ?
Y5 C93 Y2 41.5(3) . . ?
Y4 C93 Y2 155.7(8) 6_565 . ?
Y4 C93 Y2 120.0(4) . . ?
Y3 C93 Y2 32.7(2) . . ?
Y1 C93 Y2 33.8(4) . . ?
Y1 C93 Y2 97.9(7) 6_565 . ?
Y2 C93 Y2 64.8(5) 6_565 . ?
C93 C94 Y8 109.3(14) . . ?
Y8 C94 Y8 54.2(12) 6_565 . ?
C93 C94 Y3 91.2(15) . . ?
Y8 C94 Y3 33.5(6) 6_565 . ?
Y8 C94 Y3 33.5(6) . . ?
C93 C94 Y2 91.5(12) . . ?
Y8 C94 Y2 66.5(7) 6_565 . ?
Y8 C94 Y2 19.4(4) . . ?
Y3 C94 Y2 36.7(3) . . ?
Y2 C94 Y2 73.5(6) 6_565 . ?
C93 C94 Y6 87.7(12) . . ?
Y8 C94 Y6 161.1(10) 6_565 . ?
Y8 C94 Y6 113.0(9) . . ?
Y3 C94 Y6 142.5(7) . . ?
Y2 C94 Y6 178.9(8) 6_565 . ?
Y2 C94 Y6 105.8(7) . . ?
C93 C94 Y9 47.4(17) . . ?
Y8 C94 Y9 95.5(12) 6_565 . ?
Y8 C94 Y9 65.0(14) . . ?
Y3 C94 Y9 63.1(10) . . ?
Y2 C94 Y9 89.0(12) 6_565 . ?
Y2 C94 Y9 45.8(13) . . ?
Y6 C94 Y9 89.8(11) . . ?
Y6 C94 Y9 133.5(15) 6_565 . ?
C93 C94 Y9 47.4(17) . 6_565 ?
Y8 C94 Y9 65.0(14) 6_565 6_565 ?
Y8 C94 Y9 95.5(12) . 6_565 ?
Y3 C94 Y9 63.1(10) . 6_565 ?
Y2 C94 Y9 45.8(13) 6_565 6_565 ?
Y2 C94 Y9 89.0(12) . 6_565 ?
Y6 C94 Y9 133.6(15) . 6_565 ?
Y6 C94 Y9 89.8(11) 6_565 6_565 ?
Y9 C94 Y9 69(3) . 6_565 ?
C93 C94 Y5 66.4(6) . . ?
Y8 C94 Y5 106.5(9) 6_565 . ?
Y8 C94 Y5 59.6(6) . . ?
Y3 C94 Y5 73.4(5) . . ?
Y2 C94 Y5 107.1(8) 6_565 . ?
Y2 C94 Y5 41.9(3) . . ?
Y6 C94 Y5 71.8(7) . . ?
Y6 C94 Y5 138.1(9) 6_565 . ?
Y9 C94 Y5 25.6(15) . . ?
Y9 C94 Y5 94.9(17) 6_565 . ?

_refine_diff_density_max         1.624
_refine_diff_density_min         -1.901
_refine_diff_density_rms         0.135

# SQUEEZE RESULTS (Version =  71116)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.001 792 197 ' '
2 0.500 0.500 -0.002 792 197 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

####################################################################### 
# 
# 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_y2c3vc82
_database_code_depnum_ccdc_archive 'CCDC 1812333'
loop_
_audit_author_name
_audit_author_address
'Changwang Pan' 'Huazhong university of science and technology'
_audit_update_record             
;
2017-12-19 deposited with the CCDC.	2019-03-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C118 H44 Cl0 N4 Ni S0 Y2'
_chemical_formula_weight         1754.10

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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                   25.2629(12)
_cell_length_b                   15.5570(7)
_cell_length_c                   19.4478(9)
_cell_angle_alpha                90
_cell_angle_beta                 94.5570(10)
_cell_angle_gamma                90
_cell_volume                     7619.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9144
_cell_measurement_theta_min      2.752
_cell_measurement_theta_max      26.333

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_F_000             3544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    1.818
_shelx_estimated_absorpt_T_min   0.530
_shelx_estimated_absorpt_T_max   0.612
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6945
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            60067
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.752
_diffrn_reflns_theta_max         26.471
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8168
_reflns_number_gt                6343
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.1068P)²+20.2903P] 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         8168
_refine_ls_number_parameters     964
_refine_ls_number_restraints     1108
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0676
_refine_ls_wR_factor_ref         0.1902
_refine_ls_wR_factor_gt          0.1794
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.137
_refine_ls_shift/su_max          0.006
_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
C14 C 0.8172(3) 0.500000 0.3690(4) 0.080(2) Uani 1 2 d DS TU P . .
C34 C 0.7674(4) 0.500000 0.3996(3) 0.083(2) Uani 1 2 d DS TU P A .
C45 C 0.6731(5) 0.500000 -0.0191(4) 0.100(3) Uani 1 2 d DS TU P . .
C66 C 0.6209(4) 0.500000 0.0040(5) 0.103(3) Uani 1 2 d DS TU P A .
C26 C 0.7780(8) 0.6865(10) 0.0760(9) 0.111(5) Uani 0.5 1 d D U P A -1
C30 C 0.7968(6) 0.7041(7) 0.2855(6) 0.064(3) Uani 0.5 1 d . U P A -1
C54 C 0.6462(5) 0.6550(12) 0.3317(9) 0.100(5) Uani 0.5 1 d D U P A -1
C1 C 0.8774(4) 0.5255(10) 0.1757(8) 0.093(4) Uani 0.5 1 d . U P A -1
C2 C 0.8761(4) 0.5176(13) 0.2450(7) 0.085(5) Uani 0.5 1 d . U P A -1
C3 C 0.8661(11) 0.4423(16) 0.2728(15) 0.103(6) Uani 0.5 1 d . U P A -1
C4 C 0.8560(8) 0.3715(14) 0.2287(14) 0.103(5) Uani 0.5 1 d . U P A -1
C5 C 0.8529(8) 0.3702(16) 0.1623(14) 0.100(5) Uani 0.5 1 d . U P A -1
C6 C 0.8662(5) 0.4522(12) 0.1302(10) 0.093(4) Uani 0.5 1 d . U P A -1
C7 C 0.8408(6) 0.4834(16) 0.0647(9) 0.102(5) Uani 0.5 1 d . U P A -1
C8 C 0.8387(8) 0.5722(14) 0.0750(10) 0.113(5) Uani 0.5 1 d . U P A -1
C9 C 0.8579(10) 0.6008(18) 0.1381(11) 0.102(5) Uani 0.5 1 d . U P A -1
C10 C 0.8377(9) 0.6730(14) 0.1780(12) 0.107(5) Uani 0.5 1 d . U P A -1
C11 C 0.8439(9) 0.6626(13) 0.2427(11) 0.082(5) Uani 0.5 1 d . U P A -1
C12 C 0.8598(8) 0.5885(11) 0.2834(11) 0.071(4) Uani 0.5 1 d . U P A -1
C13 C 0.8329(10) 0.5808(12) 0.3426(12) 0.060(4) Uani 0.5 1 d . U P A -1
C15 C 0.8350(13) 0.4304(15) 0.3317(15) 0.095(6) Uani 0.5 1 d D U P A -1
C16 C 0.8068(10) 0.3512(17) 0.3253(13) 0.109(7) Uani 0.5 1 d D U P A -1
C17 C 0.8188(9) 0.3117(14) 0.2614(15) 0.109(6) Uani 0.5 1 d . U P A -1
C18 C 0.7795(9) 0.2651(11) 0.2189(15) 0.118(5) Uani 0.5 1 d . U P A -1
C19 C 0.7826(7) 0.2704(12) 0.1498(13) 0.102(6) Uani 0.5 1 d D U P A -1
C20 C 0.8170(6) 0.3291(11) 0.1138(10) 0.104(5) Uani 0.5 1 d D U P A -1
C21 C 0.7883(7) 0.3495(13) 0.0511(10) 0.107(5) Uani 0.5 1 d D U P A -1
C22 C 0.8025(8) 0.4327(14) 0.0284(10) 0.100(5) Uani 0.5 1 d . U P A -1
C23 C 0.7606(5) 0.4761(8) -0.0095(8) 0.105(5) Uani 0.5 1 d D U P A -1
C24 C 0.7566(5) 0.5695(7) -0.0053(7) 0.090(4) Uani 0.5 1 d D U P A -1
C25 C 0.7969(9) 0.6108(13) 0.0392(11) 0.113(6) Uani 0.5 1 d D U P A -1
C27 C 0.8042(13) 0.7117(18) 0.1388(16) 0.118(6) Uani 0.5 1 d . U P A -1
C28 C 0.7570(8) 0.7527(9) 0.1731(9) 0.094(4) Uani 0.5 1 d . U P A -1
C29 C 0.7588(8) 0.7446(12) 0.2487(10) 0.085(4) Uani 0.5 1 d . U P A -1
C31 C 0.7950(7) 0.6556(12) 0.3403(9) 0.058(3) Uani 0.5 1 d . U P A -1
C32 C 0.7395(8) 0.6430(16) 0.3673(10) 0.075(4) Uani 0.5 1 d . U P A -1
C33 C 0.7266(8) 0.5640(14) 0.3952(10) 0.092(5) Uani 0.5 1 d . U P A -1
C35 C 0.7429(8) 0.4158(12) 0.3935(11) 0.103(5) Uani 0.5 1 d D U P A -1
C36 C 0.7570(10) 0.3471(14) 0.3559(11) 0.098(6) Uani 0.5 1 d D U P A -1
C37 C 0.7176(8) 0.2907(12) 0.3165(9) 0.108(5) Uani 0.5 1 d D U P A -1
C38 C 0.7294(8) 0.2512(12) 0.2537(10) 0.106(6) Uani 0.5 1 d D U P A -1
C39 C 0.6819(6) 0.2419(8) 0.2086(8) 0.102(5) Uani 0.5 1 d D U P A -1
C40 C 0.6808(7) 0.2548(11) 0.1355(10) 0.097(5) Uani 0.5 1 d D U P A -1
C41 C 0.7327(6) 0.2632(11) 0.1107(10) 0.098(5) Uani 0.5 1 d D U P A -1
C42 C 0.7359(6) 0.3167(11) 0.0508(9) 0.090(5) Uani 0.5 1 d D U P A -1
C43 C 0.6925(9) 0.3639(14) 0.0162(11) 0.082(4) Uani 0.5 1 d . U P A -1
C44 C 0.7112(5) 0.4339(10) -0.0116(13) 0.108(5) Uani 0.5 1 d D U P A -1
C46 C 0.6993(6) 0.5839(9) -0.0126(13) 0.116(5) Uani 0.5 1 d D U P A -1
C47 C 0.6846(11) 0.6563(13) 0.0276(11) 0.109(6) Uani 0.5 1 d D U P A -1
C48 C 0.7216(8) 0.7079(11) 0.0681(10) 0.108(5) Uani 0.5 1 d D U P A -1
C49 C 0.7080(11) 0.7485(15) 0.1275(13) 0.108(6) Uani 0.5 1 d . U P A -1
C50 C 0.6561(9) 0.7383(11) 0.1606(12) 0.114(5) Uani 0.5 1 d . U P A -1
C51 C 0.6548(7) 0.7360(13) 0.2265(9) 0.113(5) Uani 0.5 1 d D U P A -1
C52 C 0.7060(6) 0.7433(11) 0.2726(8) 0.089(4) Uani 0.5 1 d D U P A -1
C53 C 0.7004(5) 0.6892(11) 0.3345(8) 0.084(4) Uani 0.5 1 d D U P A -1
C55 C 0.6338(6) 0.5695(13) 0.3514(9) 0.091(4) Uani 0.5 1 d . U P A -1
C56 C 0.6798(7) 0.5248(11) 0.3912(9) 0.087(5) Uani 0.5 1 d . U P A -1
C57 C 0.6777(9) 0.4339(12) 0.3831(10) 0.087(4) Uani 0.5 1 d . U P A -1
C58 C 0.6444(9) 0.3911(13) 0.3437(12) 0.120(6) Uani 0.5 1 d D U P A -1
C59 C 0.6623(8) 0.3104(10) 0.3137(9) 0.117(5) Uani 0.5 1 d D U P A -1
C60 C 0.6409(7) 0.2717(13) 0.2509(9) 0.131(6) Uani 0.5 1 d D U P A -1
C61 C 0.5996(7) 0.3113(10) 0.2175(8) 0.142(6) Uani 0.5 1 d D U P A -1
C62 C 0.5941(6) 0.3162(11) 0.1451(8) 0.111(5) Uani 0.5 1 d D U P A -1
C63 C 0.6364(6) 0.2950(9) 0.0994(7) 0.074(3) Uani 0.5 1 d D U P A -1
C64 C 0.6413(6) 0.3508(10) 0.0451(8) 0.060(3) Uani 0.5 1 d . U P A -1
C65 C 0.6056(7) 0.4187(8) 0.0309(10) 0.080(4) Uani 0.5 1 d D U P A -1
C67 C 0.5971(10) 0.5704(9) 0.0387(13) 0.116(6) Uani 0.5 1 d D U P A -1
C68 C 0.6237(9) 0.6491(15) 0.0539(12) 0.119(6) Uani 0.5 1 d D U P A -1
C69 C 0.6173(8) 0.6903(14) 0.1183(12) 0.119(6) Uani 0.5 1 d D U P A -1
C70 C 0.5760(5) 0.6489(9) 0.1555(7) 0.089(5) Uani 0.5 1 d D U P A -1
C71 C 0.5789(8) 0.6421(12) 0.2268(8) 0.113(5) Uani 0.5 1 d D U P A -1
C72 C 0.6190(5) 0.6861(11) 0.2698(7) 0.098(4) Uani 0.5 1 d D U P A -1
C73 C 0.5668(4) 0.5597(11) 0.2511(7) 0.102(4) Uani 0.5 1 d D U P A -1
C74 C 0.5959(5) 0.5198(13) 0.3125(8) 0.099(5) Uani 0.5 1 d . U P A -1
C75 C 0.5988(7) 0.4281(12) 0.3082(10) 0.118(5) Uani 0.5 1 d D U P A -1
C76 C 0.5770(8) 0.3828(12) 0.2506(9) 0.133(6) Uani 0.5 1 d D U P A -1
C77 C 0.5506(7) 0.4295(10) 0.1953(9) 0.134(6) Uani 0.5 1 d D U P A -1
C78 C 0.5599(7) 0.3884(11) 0.1307(8) 0.126(5) Uani 0.5 1 d D U P A -1
C79 C 0.5650(5) 0.4345(8) 0.0767(8) 0.106(5) Uani 0.5 1 d D U P A -1
C80 C 0.5593(7) 0.5282(8) 0.0791(9) 0.155(6) Uani 0.5 1 d D U P A -1
C81 C 0.5518(6) 0.5680(9) 0.1329(8) 0.125(5) Uani 0.5 1 d D U P A -1
C82 C 0.5449(5) 0.5182(10) 0.1937(7) 0.122(5) Uani 0.5 1 d D U P A -1
C83 C 0.41649(16) 0.3576(3) 0.14768(18) 0.0437(9) Uani 1 1 d . . . B 2
H83A H 0.394586 0.324341 0.113395 0.065 Uiso 1 1 calc R U . B 2
H83B H 0.442990 0.319830 0.171587 0.065 Uiso 1 1 calc R U . B 2
H83C H 0.434531 0.403865 0.124534 0.065 Uiso 1 1 calc R U . B 2
Ni1 Ni 0.52321(2) 0.500000 0.41923(3) 0.01982(16) Uani 1 2 d S T P B 2
N1 N 0.46951(13) 0.500000 0.34110(17) 0.0229(7) Uani 1 2 d S T P B 2
N2 N 0.52469(9) 0.37371(15) 0.41811(12) 0.0221(5) Uani 1 1 d . . . B 2
N3 N 0.57917(13) 0.500000 0.49498(17) 0.0216(7) Uani 1 2 d S T P B 2
C84 C 0.38128(13) 0.3963(2) 0.19987(17) 0.0341(7) Uani 1 1 d . . . B 2
H84A H 0.351661 0.427686 0.174698 0.041 Uiso 1 1 calc R U . B 2
H84B H 0.365760 0.349092 0.225889 0.041 Uiso 1 1 calc R U . B 2
C85 C 0.41020(11) 0.4564(2) 0.24995(15) 0.0271(6) Uani 1 1 d . . . B 2
C86 C 0.44682(11) 0.43010(19) 0.30682(14) 0.0243(6) Uani 1 1 d . . . B 2
C87 C 0.45823(11) 0.3454(2) 0.32221(15) 0.0264(6) Uani 1 1 d . . . B 2
H87 H 0.439409 0.302318 0.295635 0.032 Uiso 1 1 calc R U . B 2
C88 C 0.49517(11) 0.31927(19) 0.37364(15) 0.0253(6) Uani 1 1 d . . . B 2
C89 C 0.50857(12) 0.23050(19) 0.38786(17) 0.0286(6) Uani 1 1 d . . . B 2
C90 C 0.48520(14) 0.1548(2) 0.34756(19) 0.0394(8) Uani 1 1 d . . . B 2
H90A H 0.446673 0.164488 0.337133 0.047 Uiso 1 1 calc R U . B 2
H90B H 0.489561 0.102497 0.376493 0.047 Uiso 1 1 calc R U . B 2
C91 C 0.51076(19) 0.1395(3) 0.2803(2) 0.0604(12) Uani 1 1 d . . . B 2
H91A H 0.492807 0.091719 0.255303 0.091 Uiso 1 1 calc R U . B 2
H91B H 0.548386 0.125489 0.290401 0.091 Uiso 1 1 calc R U . B 2
H91C H 0.507522 0.191604 0.251916 0.091 Uiso 1 1 calc R U . B 2
C92 C 0.54628(11) 0.23054(19) 0.44159(16) 0.0277(6) Uani 1 1 d . . . B 2
C93 C 0.57454(13) 0.1556(2) 0.47668(19) 0.0355(7) Uani 1 1 d . . . B 2
H93A H 0.552569 0.103378 0.468490 0.043 Uiso 1 1 calc R U . B 2
H93B H 0.578263 0.166279 0.527018 0.043 Uiso 1 1 calc R U . B 2
C94 C 0.62929(16) 0.1393(3) 0.4519(2) 0.0539(10) Uani 1 1 d . . . B 2
H94A H 0.625830 0.126029 0.402477 0.081 Uiso 1 1 calc R U . B 2
H94B H 0.645915 0.090631 0.477305 0.081 Uiso 1 1 calc R U . B 2
H94C H 0.651371 0.190641 0.459942 0.081 Uiso 1 1 calc R U . B 2
C95 C 0.55570(11) 0.31975(19) 0.45952(15) 0.0238(6) Uani 1 1 d . . . B 2
C96 C 0.59282(11) 0.34576(19) 0.51108(15) 0.0253(6) Uani 1 1 d . . . B 2
H96 H 0.611654 0.302626 0.537539 0.030 Uiso 1 1 calc R U . B 2
C97 C 0.60427(11) 0.43015(19) 0.52657(14) 0.0242(6) Uani 1 1 d . . . B 2
C98 C 0.64564(11) 0.4566(2) 0.57771(15) 0.0262(6) Uani 1 1 d . . . B 2
C99 C 0.68343(12) 0.3969(2) 0.61731(16) 0.0326(7) Uani 1 1 d . . . B 2
H99A H 0.663890 0.345314 0.631089 0.039 Uiso 1 1 calc R U . B 2
H99B H 0.698286 0.425942 0.659840 0.039 Uiso 1 1 calc R U . B 2
C100 C 0.72840(14) 0.3695(3) 0.5752(2) 0.0495(10) Uani 1 1 d . . . B 2
H10A H 0.714389 0.332960 0.536877 0.074 Uiso 1 1 calc R U . B 2
H10B H 0.754752 0.337200 0.604511 0.074 Uiso 1 1 calc R U . B 2
H10C H 0.745166 0.420480 0.556838 0.074 Uiso 1 1 calc R U . B 2
Y1 Y 0.74059(16) 0.5079(8) 0.10402(9) 0.0769(19) Uani 0.276(4) 1 d . . P A 3
Y3 Y 0.6921(4) 0.5753(6) 0.2528(6) 0.195(6) Uani 0.170(3) 1 d . . P A 3
Y4 Y 0.72351(12) 0.48165(12) 0.28463(6) 0.0838(13) Uani 0.330(3) 1 d . . P A 3
Y2 Y 0.7689(3) 0.5360(6) 0.1375(6) 0.182(5) Uani 0.224(4) 1 d . . P A 3


_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
C14 C15 1.40(2) . ?
C14 C13 1.43(2) . ?
C14 C34 1.432(11) . ?
C14 Y4 2.786(7) . ?
C14 Y4 2.786(7) 6_565 ?
C34 C33 1.43(2) . ?
C34 C35 1.451(18) . ?
C34 Y4 2.432(6) 6_565 ?
C34 Y4 2.432(6) . ?
C45 C44 1.408(14) . ?
C45 C66 1.424(14) . ?
C45 C46 1.465(13) . ?
C45 Y1 2.829(8) 6_565 ?
C45 Y1 2.829(8) . ?
C66 C65 1.434(12) . ?
C66 C67 1.444(14) . ?
C26 C27 1.40(3) . ?
C26 C48 1.461(18) . ?
C26 C25 1.476(19) . ?
C30 C31 1.31(2) . ?
C30 C29 1.31(2) . ?
C30 C11 1.64(2) . ?
C54 C72 1.422(15) . ?
C54 C55 1.43(3) . ?
C54 C53 1.466(14) . ?
C1 C2 1.356(19) . ?
C1 C9 1.45(3) . ?
C1 C6 1.456(19) . ?
C2 C3 1.32(3) . ?
C2 C12 1.41(2) . ?
C3 C4 1.41(3) . ?
C3 C15 1.45(4) . ?
C4 C5 1.29(3) . ?
C4 C17 1.50(3) . ?
C5 C20 1.41(3) . ?
C5 C6 1.47(3) . ?
C6 C7 1.46(3) . ?
C7 C22 1.40(3) . ?
C7 C8 1.40(4) . ?
C8 C9 1.36(3) . ?
C8 C25 1.36(3) . ?
C9 C10 1.48(3) . ?
C10 C27 1.25(4) . ?
C10 C11 1.27(3) . ?
C11 C12 1.44(3) . ?
C12 C13 1.39(3) . ?
C13 C31 1.51(2) . ?
C15 C16 1.42(2) . ?
C16 C36 1.435(19) . ?
C16 C17 1.44(3) . ?
C17 C18 1.44(3) . ?
C18 C19 1.36(3) . ?
C18 C38 1.50(3) . ?
C19 C41 1.424(16) . ?
C19 C20 1.475(17) . ?
C20 C21 1.404(17) . ?
C21 C42 1.419(16) . ?
C21 C22 1.42(3) . ?
C22 C23 1.41(3) . ?
C23 C44 1.409(13) . ?
C23 C24 1.460(14) . ?
C24 C25 1.435(18) . ?
C24 C46 1.460(12) . ?
C27 C28 1.55(3) . ?
C28 C49 1.47(3) . ?
C28 C29 1.47(3) . ?
C29 C52 1.45(2) . ?
C31 C32 1.55(2) . ?
C32 C53 1.34(3) . ?
C32 C33 1.39(3) . ?
C33 C56 1.33(2) . ?
C35 C36 1.36(2) . ?
C35 C57 1.67(3) . ?
C36 C37 1.49(3) . ?
C37 C38 1.420(15) . ?
C37 C59 1.427(15) . ?
C38 C39 1.436(15) . ?
C39 C40 1.433(18) . ?
C39 C60 1.449(13) . ?
C40 C63 1.419(17) . ?
C40 C41 1.44(2) . ?
C41 C42 1.439(17) . ?
C42 C43 1.44(3) . ?
C43 C44 1.32(2) . ?
C43 C64 1.47(2) . ?
C46 C47 1.437(19) . ?
C47 C48 1.422(19) . ?
C47 C68 1.67(3) . ?
C48 C49 1.38(3) . ?
C49 C50 1.52(3) . ?
C50 C51 1.28(3) . ?
C50 C69 1.44(3) . ?
C51 C72 1.499(16) . ?
C51 C52 1.518(15) . ?
C52 C53 1.486(16) . ?
C55 C74 1.40(2) . ?
C55 C56 1.51(3) . ?
C56 C57 1.42(3) . ?
C57 C58 1.28(3) . ?
C58 C75 1.418(19) . ?
C58 C59 1.470(18) . ?
C59 C60 1.430(13) . ?
C60 C61 1.334(17) . ?
C61 C62 1.405(12) . ?
C61 C76 1.428(12) . ?
C62 C78 1.432(15) . ?
C62 C63 1.480(16) . ?
C63 C64 1.381(19) . ?
C64 C65 1.40(2) . ?
C65 C79 1.432(14) . ?
C67 C68 1.417(18) . ?
C67 C80 1.441(12) . ?
C68 C69 1.427(19) . ?
C69 C70 1.464(18) . ?
C70 C71 1.387(14) . ?
C70 C81 1.452(12) . ?
C71 C73 1.407(15) . ?
C71 C72 1.435(19) . ?
C73 C82 1.369(13) . ?
C73 C74 1.49(2) . ?
C74 C75 1.43(3) . ?
C75 C76 1.398(17) . ?
C76 C77 1.420(15) . ?
C77 C82 1.388(17) . ?
C77 C78 1.444(12) . ?
C78 C79 1.288(16) . ?
C79 C80 1.465(12) . ?
C80 C81 1.244(15) . ?
C81 C82 1.434(12) . ?
C83 C84 1.525(5) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
Ni1 N1 1.955(3) . ?
Ni1 N3 1.959(3) . ?
Ni1 N2 1.965(2) 6_565 ?
Ni1 N2 1.965(2) . ?
N1 C86 1.377(4) . ?
N1 C86 1.377(4) 6_565 ?
N2 C95 1.366(4) . ?
N2 C88 1.385(4) . ?
N3 C97 1.378(4) 6_565 ?
N3 C97 1.378(4) . ?
C84 C85 1.498(4) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C85 1.355(6) 6_565 ?
C85 C86 1.444(4) . ?
C86 C87 1.377(4) . ?
C87 C88 1.374(4) . ?
C87 H87 0.9500 . ?
C88 C89 1.443(4) . ?
C89 C92 1.357(4) . ?
C89 C90 1.509(4) . ?
C90 C91 1.522(6) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C95 1.446(4) . ?
C92 C93 1.502(4) . ?
C93 C94 1.522(5) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 C96 1.378(4) . ?
C96 C97 1.373(4) . ?
C96 H96 0.9500 . ?
C97 C98 1.444(4) . ?
C98 C98 1.351(6) 6_565 ?
C98 C99 1.500(4) . ?
C99 C100 1.514(5) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
Y1 Y1 0.25(2) 6_565 ?
Y1 Y2 1.025(13) . ?
Y1 Y2 1.152(14) 6_565 ?
Y1 Y3 3.397(7) . ?
Y1 Y3 3.481(7) 6_565 ?
Y1 Y4 3.577(2) 6_565 ?
Y1 Y4 3.596(2) . ?
Y3 Y4 1.311(14) 6_565 ?
Y3 Y4 1.748(14) . ?
Y3 Y3 2.343(19) 6_565 ?
Y3 Y2 3.141(8) . ?
Y3 Y2 3.534(5) 6_565 ?
Y4 Y4 0.571(4) 6_565 ?
Y4 Y2 3.179(8) 6_565 ?
Y4 Y2 3.278(6) . ?
Y2 Y2 1.120(19) 6_565 ?

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
C15 C14 C13 112.6(11) . . ?
C15 C14 C34 123.0(13) . . ?
C13 C14 C34 115.3(10) . . ?
C34 C14 Y4 60.8(3) . . ?
C15 C14 Y4 93.8(14) . 6_565 ?
C13 C14 Y4 86.8(11) . 6_565 ?
C34 C14 Y4 60.8(3) . 6_565 ?
C33 C34 C14 128.9(8) . . ?
C33 C34 C35 108.8(13) . . ?
C14 C34 C35 110.5(10) . . ?
C33 C34 Y4 65.8(8) . 6_565 ?
C14 C34 Y4 88.3(4) . 6_565 ?
C35 C34 Y4 82.5(9) . 6_565 ?
C14 C34 Y4 88.3(4) . . ?
Y4 C34 Y4 13.48(9) 6_565 . ?
C44 C45 C66 127.5(8) . . ?
C44 C45 C46 109.9(10) . . ?
C66 C45 C46 113.4(8) . . ?
C44 C45 Y1 61.3(10) . 6_565 ?
C66 C45 Y1 104.1(5) . 6_565 ?
C46 C45 Y1 74.2(9) . 6_565 ?
C66 C45 Y1 104.1(5) . . ?
Y1 C45 Y1 5.0(5) 6_565 . ?
C45 C66 C65 113.5(8) . . ?
C45 C66 C67 125.4(9) . . ?
C65 C66 C67 111.3(10) . . ?
C27 C26 C48 115(2) . . ?
C27 C26 C25 120(2) . . ?
C48 C26 C25 118.8(15) . . ?
C31 C30 C29 130.5(17) . . ?
C31 C30 C11 105.1(13) . . ?
C29 C30 C11 116.2(15) . . ?
C72 C54 C55 116.3(14) . . ?
C72 C54 C53 107.1(11) . . ?
C55 C54 C53 123.5(15) . . ?
C2 C1 C9 122.7(15) . . ?
C2 C1 C6 121.0(16) . . ?
C9 C1 C6 106.6(16) . . ?
C3 C2 C1 120.4(17) . . ?
C3 C2 C12 113.7(15) . . ?
C1 C2 C12 119.1(17) . . ?
C2 C3 C4 118(2) . . ?
C2 C3 C15 125(2) . . ?
C4 C3 C15 107(2) . . ?
C5 C4 C3 128(2) . . ?
C5 C4 C17 115(2) . . ?
C3 C4 C17 109(2) . . ?
C4 C5 C20 132(2) . . ?
C4 C5 C6 114(2) . . ?
C20 C5 C6 105(2) . . ?
C1 C6 C7 108.6(18) . . ?
C1 C6 C5 117.4(15) . . ?
C7 C6 C5 123.9(17) . . ?
C22 C7 C8 127(3) . . ?
C22 C7 C6 119(2) . . ?
C8 C7 C6 102.8(18) . . ?
C9 C8 C25 122(2) . . ?
C9 C8 C7 116(3) . . ?
C25 C8 C7 113.6(19) . . ?
C8 C9 C1 106(2) . . ?
C8 C9 C10 128(3) . . ?
C1 C9 C10 117.9(19) . . ?
C27 C10 C11 134(3) . . ?
C27 C10 C9 107(2) . . ?
C11 C10 C9 114(3) . . ?
C10 C11 C12 131(2) . . ?
C10 C11 C30 115(2) . . ?
C12 C11 C30 102.6(15) . . ?
C13 C12 C2 123.6(17) . . ?
C13 C12 C11 113.1(16) . . ?
C2 C12 C11 114.5(17) . . ?
C12 C13 C14 123.0(15) . . ?
C12 C13 C31 105.1(14) . . ?
C14 C13 C31 119.9(18) . . ?
C14 C15 C16 122(2) . . ?
C14 C15 C3 122(2) . . ?
C16 C15 C3 110(2) . . ?
C15 C16 C36 117(2) . . ?
C15 C16 C17 108(2) . . ?
C36 C16 C17 126(2) . . ?
C18 C17 C16 122(2) . . ?
C18 C17 C4 120(2) . . ?
C16 C17 C4 106(2) . . ?
C19 C18 C17 117(2) . . ?
C19 C18 C38 125(2) . . ?
C17 C18 C38 113(2) . . ?
C18 C19 C41 114.0(19) . . ?
C18 C19 C20 126.3(18) . . ?
C41 C19 C20 108.9(12) . . ?
C21 C20 C5 138(2) . . ?
C21 C20 C19 105.7(11) . . ?
C5 C20 C19 109.6(18) . . ?
C20 C21 C42 109.8(12) . . ?
C20 C21 C22 110.5(16) . . ?
C42 C21 C22 125.7(18) . . ?
C7 C22 C23 117(2) . . ?
C7 C22 C21 123(2) . . ?
C23 C22 C21 113.7(16) . . ?
C44 C23 C22 114.6(13) . . ?
C44 C23 C24 113.6(11) . . ?
C22 C23 C24 119.9(13) . . ?
C25 C24 C23 115.5(15) . . ?
C25 C24 C46 129.9(15) . . ?
C23 C24 C46 102.7(10) . . ?
C8 C25 C24 126.7(18) . . ?
C8 C25 C26 111.9(18) . . ?
C24 C25 C26 114.1(17) . . ?
C10 C27 C26 130(3) . . ?
C10 C27 C28 116(2) . . ?
C26 C27 C28 100(2) . . ?
C49 C28 C29 123.8(19) . . ?
C49 C28 C27 111.3(18) . . ?
C29 C28 C27 115.6(19) . . ?
C30 C29 C52 118.1(18) . . ?
C30 C29 C28 123.2(18) . . ?
C52 C29 C28 111.5(16) . . ?
C30 C31 C13 114.0(14) . . ?
C30 C31 C32 116.1(15) . . ?
C13 C31 C32 118.9(16) . . ?
C53 C32 C33 118.2(18) . . ?
C53 C32 C31 115.1(16) . . ?
C33 C32 C31 119.3(18) . . ?
C56 C33 C32 128(2) . . ?
C56 C33 C34 108.6(17) . . ?
C32 C33 C34 116.7(15) . . ?
C36 C35 C34 128.8(17) . . ?
C36 C35 C57 111.5(17) . . ?
C34 C35 C57 105.6(14) . . ?
C35 C36 C16 117.7(18) . . ?
C35 C36 C37 123(2) . . ?
C16 C36 C37 112.5(19) . . ?
C38 C37 C59 109.4(11) . . ?
C38 C37 C36 121.3(17) . . ?
C59 C37 C36 120.2(17) . . ?
C37 C38 C39 110.2(12) . . ?
C37 C38 C18 124.7(17) . . ?
C39 C38 C18 115.7(16) . . ?
C40 C39 C38 122.8(15) . . ?
C40 C39 C60 124.0(13) . . ?
C38 C39 C60 102.8(11) . . ?
C63 C40 C39 120.4(15) . . ?
C63 C40 C41 119.9(15) . . ?
C39 C40 C41 113.5(15) . . ?
C19 C41 C42 106.5(11) . . ?
C19 C41 C40 128.3(16) . . ?
C42 C41 C40 115.8(13) . . ?
C21 C42 C41 108.5(12) . . ?
C21 C42 C43 119.6(16) . . ?
C41 C42 C43 125.7(13) . . ?
C44 C43 C42 109.1(16) . . ?
C44 C43 C64 129(2) . . ?
C42 C43 C64 114.3(16) . . ?
C43 C44 C45 112.4(15) . . ?
C43 C44 C23 135.9(18) . . ?
C45 C44 C23 105.1(11) . . ?
C47 C46 C24 111.3(14) . . ?
C47 C46 C45 127.6(17) . . ?
C24 C46 C45 108.1(10) . . ?
C48 C47 C46 123.9(19) . . ?
C48 C47 C68 116.8(18) . . ?
C46 C47 C68 113.6(17) . . ?
C49 C48 C47 122(2) . . ?
C49 C48 C26 108.8(17) . . ?
C47 C48 C26 121.4(16) . . ?
C48 C49 C28 106(2) . . ?
C48 C49 C50 126(2) . . ?
C28 C49 C50 118(2) . . ?
C51 C50 C69 119(2) . . ?
C51 C50 C49 121.2(19) . . ?
C69 C50 C49 113(2) . . ?
C50 C51 C72 129.6(17) . . ?
C50 C51 C52 119.9(17) . . ?
C72 C51 C52 103.4(10) . . ?
C29 C52 C53 114.7(14) . . ?
C29 C52 C51 125.2(14) . . ?
C53 C52 C51 107.7(10) . . ?
C32 C53 C54 118.3(15) . . ?
C32 C53 C52 125.1(12) . . ?
C54 C53 C52 108.9(10) . . ?
C74 C55 C54 121.6(17) . . ?
C74 C55 C56 119.1(17) . . ?
C54 C55 C56 113.0(13) . . ?
C33 C56 C57 119(2) . . ?
C33 C56 C55 117.6(17) . . ?
C57 C56 C55 112(2) . . ?
C58 C57 C56 127(3) . . ?
C58 C57 C35 125(2) . . ?
C56 C57 C35 97.3(17) . . ?
C57 C58 C75 123.4(19) . . ?
C57 C58 C59 118(2) . . ?
C75 C58 C59 114.7(17) . . ?
C37 C59 C60 104.2(11) . . ?
C37 C59 C58 119.9(16) . . ?
C60 C59 C58 126.2(16) . . ?
C61 C60 C59 116.7(16) . . ?
C61 C60 C39 115.9(14) . . ?
C59 C60 C39 112.4(11) . . ?
C60 C61 C62 121.6(14) . . ?
C60 C61 C76 117.7(14) . . ?
C62 C61 C76 113.5(11) . . ?
C61 C62 C78 104.4(11) . . ?
C61 C62 C63 124.8(13) . . ?
C78 C62 C63 120.7(14) . . ?
C64 C63 C40 122.8(14) . . ?
C64 C63 C62 115.6(13) . . ?
C40 C63 C62 112.3(13) . . ?
C63 C64 C65 122.0(13) . . ?
C63 C64 C43 121.1(16) . . ?
C65 C64 C43 113.1(15) . . ?
C64 C65 C79 119.2(13) . . ?
C64 C65 C66 123.3(13) . . ?
C79 C65 C66 107.6(10) . . ?
C68 C67 C80 127.2(15) . . ?
C68 C67 C66 123.0(17) . . ?
C80 C67 C66 103.2(10) . . ?
C67 C68 C69 119.1(17) . . ?
C67 C68 C47 115.4(19) . . ?
C69 C68 C47 114.3(17) . . ?
C68 C69 C50 128.0(19) . . ?
C68 C69 C70 111.7(15) . . ?
C50 C69 C70 115.2(18) . . ?
C71 C70 C81 102.9(10) . . ?
C71 C70 C69 122.9(14) . . ?
C81 C70 C69 122.1(13) . . ?
C70 C71 C73 114.2(11) . . ?
C70 C71 C72 121.7(15) . . ?
C73 C71 C72 113.6(13) . . ?
C54 C72 C71 127.0(15) . . ?
C54 C72 C51 112.3(10) . . ?
C71 C72 C51 110.4(13) . . ?
C82 C73 C71 103.9(11) . . ?
C82 C73 C74 126.9(15) . . ?
C71 C73 C74 122.9(12) . . ?
C55 C74 C75 123.0(19) . . ?
C55 C74 C73 118.3(17) . . ?
C75 C74 C73 113.1(16) . . ?
C76 C75 C58 116.0(16) . . ?
C76 C75 C74 122(2) . . ?
C58 C75 C74 114.8(17) . . ?
C75 C76 C77 118.7(17) . . ?
C75 C76 C61 127.4(15) . . ?
C77 C76 C61 103.7(11) . . ?
C82 C77 C76 124.6(15) . . ?
C82 C77 C78 116.4(14) . . ?
C76 C77 C78 109.5(11) . . ?
C79 C78 C62 119.9(15) . . ?
C79 C78 C77 119.8(14) . . ?
C62 C78 C77 108.3(11) . . ?
C78 C79 C65 122.4(14) . . ?
C78 C79 C80 120.8(13) . . ?
C65 C79 C80 105.6(11) . . ?
C81 C80 C67 112.5(13) . . ?
C81 C80 C79 122.9(15) . . ?
C67 C80 C79 111.4(11) . . ?
C80 C81 C82 117.5(13) . . ?
C80 C81 C70 126.7(13) . . ?
C82 C81 C70 107.2(10) . . ?
C73 C82 C77 114.6(15) . . ?
C73 C82 C81 110.5(10) . . ?
C77 C82 C81 122.4(13) . . ?
C84 C83 H83A 109.5 . . ?
C84 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C84 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
N1 Ni1 N3 177.77(14) . . ?
N1 Ni1 N2 90.23(7) . . ?
N3 Ni1 N2 89.72(7) . . ?
N2 Ni1 N2 177.39(14) 6_565 . ?
C86 N1 Ni1 127.80(16) . . ?
C86 N1 Ni1 127.81(16) 6_565 . ?
C95 N2 C88 104.3(2) . . ?
C95 N2 Ni1 128.19(19) . . ?
C88 N2 Ni1 127.47(19) . . ?
C97 N3 C97 104.1(3) 6_565 . ?
C97 N3 Ni1 127.90(16) 6_565 . ?
C97 N3 Ni1 127.90(16) . . ?
C85 C84 C83 113.5(3) . . ?
C85 C84 H84A 108.9 . . ?
C83 C84 H84A 108.9 . . ?
C85 C84 H84B 108.9 . . ?
C83 C84 H84B 108.9 . . ?
H84A C84 H84B 107.7 . . ?
C85 C85 C86 106.49(17) 6_565 . ?
C85 C85 C84 128.65(17) 6_565 . ?
C86 C85 C84 124.8(3) . . ?
N1 C86 C87 125.4(3) . . ?
N1 C86 C85 111.3(3) . . ?
C87 C86 C85 123.3(3) . . ?
C88 C87 C86 124.0(3) . . ?
C88 C87 H87 118.0 . . ?
C86 C87 H87 118.0 . . ?
C87 C88 N2 125.1(3) . . ?
C87 C88 C89 123.9(3) . . ?
N2 C88 C89 111.0(2) . . ?
C92 C89 C88 106.7(3) . . ?
C92 C89 C90 128.5(3) . . ?
C88 C89 C90 124.8(3) . . ?
C89 C90 C91 113.1(3) . . ?
C89 C90 H90A 109.0 . . ?
C91 C90 H90A 109.0 . . ?
C89 C90 H90B 109.0 . . ?
C91 C90 H90B 109.0 . . ?
H90A C90 H90B 107.8 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C89 C92 C95 106.2(3) . . ?
C89 C92 C93 129.0(3) . . ?
C95 C92 C93 124.9(3) . . ?
C92 C93 C94 113.4(3) . . ?
C92 C93 H93A 108.9 . . ?
C94 C93 H93A 108.9 . . ?
C92 C93 H93B 108.9 . . ?
C94 C93 H93B 108.9 . . ?
H93A C93 H93B 107.7 . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
N2 C95 C96 125.0(3) . . ?
N2 C95 C92 111.8(2) . . ?
C96 C95 C92 123.1(3) . . ?
C97 C96 C95 124.0(3) . . ?
C97 C96 H96 118.0 . . ?
C95 C96 H96 118.0 . . ?
C96 C97 N3 125.1(3) . . ?
C96 C97 C98 123.5(3) . . ?
N3 C97 C98 111.4(3) . . ?
C98 C98 C97 106.53(17) 6_565 . ?
C98 C98 C99 128.24(18) 6_565 . ?
C97 C98 C99 125.0(3) . . ?
C98 C99 C100 111.8(3) . . ?
C98 C99 H99A 109.3 . . ?
C100 C99 H99A 109.3 . . ?
C98 C99 H99B 109.3 . . ?
C100 C99 H99B 109.3 . . ?
H99A C99 H99B 107.9 . . ?
C99 C100 H10A 109.5 . . ?
C99 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
Y1 Y1 Y2 115.2(7) 6_565 . ?
Y1 Y1 Y2 53.6(5) 6_565 6_565 ?
Y2 Y1 Y2 61.6(6) . 6_565 ?
Y1 Y1 C45 87.5(2) 6_565 . ?
Y2 Y1 C45 154.0(8) . . ?
Y2 Y1 C45 139.2(7) 6_565 . ?
Y1 Y1 Y3 108.0(3) 6_565 . ?
Y2 Y1 Y3 67.0(5) . . ?
Y2 Y1 Y3 87.2(4) 6_565 . ?
C45 Y1 Y3 120.0(4) . . ?
C45 Y1 Y3 117.3(4) . 6_565 ?
C45 Y1 Y4 136.2(3) . 6_565 ?
Y1 Y1 Y4 83.5(2) 6_565 . ?
Y2 Y1 Y4 63.9(3) . . ?
Y2 Y1 Y4 59.9(3) 6_565 . ?
C45 Y1 Y4 135.3(3) . . ?
Y3 Y1 Y4 28.8(2) . . ?
Y3 Y1 Y4 21.3(2) 6_565 . ?
Y4 Y1 Y4 9.13(6) 6_565 . ?
Y4 Y3 Y4 13.92(13) 6_565 . ?
Y4 Y3 Y2 79.7(3) 6_565 . ?
Y4 Y3 Y2 78.6(2) . . ?
Y3 Y3 Y2 78.8(2) 6_565 . ?
Y4 Y3 Y1 87.0(2) 6_565 . ?
Y4 Y3 Y1 82.0(2) . . ?
Y3 Y3 Y1 72.0(3) 6_565 . ?
Y2 Y3 Y1 17.5(2) . . ?
Y4 Y3 Y2 68.1(3) 6_565 6_565 ?
Y4 Y3 Y2 63.9(3) . 6_565 ?
Y3 Y3 Y2 60.7(2) 6_565 6_565 ?
Y2 Y3 Y2 18.1(3) . 6_565 ?
Y1 Y3 Y2 19.0(2) . 6_565 ?
Y1 Y3 Y2 16.8(2) 6_565 6_565 ?
Y4 Y4 Y3 33.5(3) 6_565 . ?
Y3 Y4 Y3 99.0(6) 6_565 . ?
Y4 Y4 C34 83.26(5) 6_565 . ?
Y3 Y4 C34 136.7(3) 6_565 . ?
Y3 Y4 C34 112.8(3) . . ?
Y4 Y4 C14 84.12(4) 6_565 . ?
Y3 Y4 C14 143.2(3) 6_565 . ?
Y3 Y4 C14 117.6(3) . . ?
C34 Y4 C14 30.9(3) . . ?
Y4 Y4 Y2 94.96(18) 6_565 6_565 ?
Y3 Y4 Y2 76.4(3) 6_565 6_565 ?
Y3 Y4 Y2 86.5(3) . 6_565 ?
C34 Y4 Y2 131.8(3) . 6_565 ?
C14 Y4 Y2 100.9(3) . 6_565 ?
Y4 Y4 Y2 75.06(19) 6_565 . ?
Y3 Y4 Y2 90.2(4) 6_565 . ?
Y3 Y4 Y2 69.9(2) . . ?
C34 Y4 Y2 127.3(3) . . ?
C14 Y4 Y2 98.5(3) . . ?
Y2 Y4 Y2 19.9(4) 6_565 . ?
C34 Y4 Y1 144.6(3) . 6_565 ?
C14 Y4 Y1 114.3(2) . 6_565 ?
Y4 Y4 Y1 83.48(19) 6_565 . ?
Y3 Y4 Y1 74.4(3) 6_565 . ?
Y3 Y4 Y1 69.3(3) . . ?
C34 Y4 Y1 143.4(3) . . ?
C14 Y4 Y1 113.7(2) . . ?
Y2 Y4 Y1 18.3(2) 6_565 . ?
Y2 Y4 Y1 16.3(2) . . ?
Y1 Y4 Y1 3.9(4) 6_565 . ?
Y1 Y2 Y2 64.8(7) . 6_565 ?
Y1 Y2 Y3 95.5(3) . . ?
Y2 Y2 Y3 101.2(2) 6_565 . ?
Y1 Y2 Y3 97.3(3) 6_565 . ?
Y1 Y2 Y4 99.7(3) . . ?
Y2 Y2 Y4 75.05(19) 6_565 . ?
Y1 Y2 Y4 95.5(3) 6_565 . ?
Y3 Y2 Y4 31.5(3) . . ?
Y4 Y2 Y4 9.99(7) 6_565 . ?

_refine_diff_density_max         1.472
_refine_diff_density_min         -1.016
_refine_diff_density_rms         0.078

# SQUEEZE RESULTS (Version =  71116)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 -0.004 718 211 ' '
2 0.000 0.500 -0.003 718 211 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?


