# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_1290LE_0mS_a
_database_code_depnum_ccdc_archive 'CCDC 1508509'
_audit_update_record             
;
2016-10-06 deposited with the CCDC.
2017-05-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C130 H56 N4 Ni S0 U'
_chemical_formula_weight         1970.52

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'
N N 0.0061 0.0033 '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'
U U -9.6767 9.6646 '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'
H H 0.0000 0.0000 '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                   25.0308(10)
_cell_length_b                   15.3288(6)
_cell_length_c                   19.9410(8)
_cell_angle_alpha                90
_cell_angle_beta                 93.9830(10)
_cell_angle_gamma                90
_cell_volume                     7632.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    11188
_cell_measurement_theta_min      5.052
_cell_measurement_theta_max      54.385

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_F_000             3936
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    2.436
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.620
_exptl_absorpt_correction_T_max  0.661
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42257
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.631
_diffrn_reflns_theta_max         27.539
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             9067
_reflns_number_gt                7016
_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       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_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)+(0.1000P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9067
_refine_ls_number_parameters     1013
_refine_ls_number_restraints     3146
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0779
_refine_ls_wR_factor_ref         0.2290
_refine_ls_wR_factor_gt          0.2194
_refine_ls_goodness_of_fit_ref   1.691
_refine_ls_restrained_S_all      2.832
_refine_ls_shift/su_max          0.002
_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
C1B C 0.7852(3) 0.5000 0.3318(3) 0.0549(16) Uani 1 2 d S TU P . .
H1B H 0.7594 0.5000 0.3632 0.066 Uiso 1 2 calc R U P . .
C2B C 0.8406(4) 0.5000 0.3512(4) 0.088(3) Uani 1 2 d S TU P . .
H2B H 0.8519 0.5000 0.3966 0.106 Uiso 1 2 calc R U P . .
C3B C 0.8787(4) 0.5000 0.3032(5) 0.085(2) Uani 1 2 d S TU P . .
H3B H 0.9151 0.5000 0.3162 0.102 Uiso 1 2 calc R U P . .
C4B C 0.8613(3) 0.5000 0.2366(4) 0.069(2) Uani 1 2 d S TU P . .
H4B H 0.8868 0.5000 0.2047 0.082 Uiso 1 2 calc R U P . .
C5B C 0.8103(3) 0.5000 0.2154(3) 0.0562(16) Uani 1 2 d S TU P . .
H5B H 0.7997 0.5000 0.1697 0.067 Uiso 1 2 calc R U P . .
C6B C 0.7719(3) 0.5000 0.2646(3) 0.0621(18) Uani 1 2 d S TU P . .
H6B H 0.7358 0.5000 0.2501 0.075 Uiso 1 2 calc R U P . .
C7B C 0.4751(6) 0.1295(10) 0.4405(9) 0.211(5) Uani 1 1 d . U . . .
H7B H 0.4551 0.1294 0.3995 0.254 Uiso 1 1 calc R U . . .
C8B C 0.5313(4) 0.1388(8) 0.4396(7) 0.151(4) Uani 1 1 d . U . . .
H8B H 0.5495 0.1559 0.4026 0.181 Uiso 1 1 calc R U . . .
C9B C 0.5536(5) 0.1198(11) 0.4984(9) 0.197(5) Uani 1 1 d . U . . .
H9B H 0.5887 0.0996 0.5019 0.237 Uiso 1 1 calc R U . . .
Ni1 Ni 0.51944(2) 0.5000 0.91494(3) 0.0252(2) Uani 1 2 d S T P A 3
N1 N 0.46452(15) 0.5000 0.84056(19) 0.0270(8) Uani 1 2 d S T P A 3
N3 N 0.57623(15) 0.5000 0.98758(19) 0.0282(9) Uani 1 2 d S T P A 3
N2 N 0.52051(10) 0.62776(19) 0.91379(13) 0.0279(6) Uani 1 1 d . . . A 3
C1N C 0.60209(13) 0.5719(2) 1.01795(17) 0.0313(8) Uani 1 1 d . U . A 3
C2N C 0.64370(14) 0.5437(3) 1.06704(18) 0.0351(8) Uani 1 1 d . U . A 3
C3N C 0.68163(15) 0.6047(3) 1.10497(19) 0.0415(9) Uani 1 1 d . U . A 3
H3N1 H 0.6966 0.5756 1.1452 0.050 Uiso 1 1 calc R U . A 3
H3N2 H 0.6619 0.6553 1.1189 0.050 Uiso 1 1 calc R U . A 3
C4N C 0.72729(17) 0.6351(4) 1.0637(2) 0.0598(13) Uani 1 1 d . U . A 3
H4N1 H 0.7503 0.6736 1.0903 0.072 Uiso 1 1 calc R U . A 3
H4N2 H 0.7128 0.6653 1.0244 0.072 Uiso 1 1 calc R U . A 3
H4N3 H 0.7474 0.5854 1.0505 0.072 Uiso 1 1 calc R U . A 3
C5N C 0.59044(13) 0.6567(2) 1.00232(17) 0.0323(8) Uani 1 1 d . U . A 3
H5N H 0.6097 0.6996 1.0264 0.039 Uiso 1 1 calc R U . A 3
C6N C 0.55229(13) 0.6836(2) 0.95348(17) 0.0294(7) Uani 1 1 d . U . A 3
C7N C 0.54193(14) 0.7732(2) 0.93662(18) 0.0342(8) Uani 1 1 d . U . A 3
C8N C 0.57103(16) 0.8503(3) 0.9695(2) 0.0427(9) Uani 1 1 d . U . A 3
H8N1 H 0.5747 0.8410 1.0177 0.051 Uiso 1 1 calc R U . A 3
H8N2 H 0.5497 0.9024 0.9611 0.051 Uiso 1 1 calc R U . A 3
C9N C 0.62653(18) 0.8649(3) 0.9441(3) 0.0578(12) Uani 1 1 d . U . A 3
H9N1 H 0.6433 0.9139 0.9670 0.069 Uiso 1 1 calc R U . A 3
H9N2 H 0.6231 0.8762 0.8967 0.069 Uiso 1 1 calc R U . A 3
H9N3 H 0.6481 0.8137 0.9527 0.069 Uiso 1 1 calc R U . A 3
C10N C 0.50317(15) 0.7734(2) 0.88625(19) 0.0368(8) Uani 1 1 d . U . A 3
C11N C 0.47777(17) 0.8499(3) 0.8473(2) 0.0464(10) Uani 1 1 d . U . A 3
H11A H 0.4394 0.8404 0.8413 0.056 Uiso 1 1 calc R U . A 3
H11B H 0.4836 0.9026 0.8738 0.056 Uiso 1 1 calc R U . A 3
C12N C 0.4990(2) 0.8640(3) 0.7798(3) 0.0633(13) Uani 1 1 d . U . A 3
H12A H 0.4814 0.9132 0.7583 0.076 Uiso 1 1 calc R U . A 3
H12B H 0.4925 0.8129 0.7526 0.076 Uiso 1 1 calc R U . A 3
H12C H 0.5368 0.8749 0.7852 0.076 Uiso 1 1 calc R U . A 3
C13N C 0.48970(13) 0.6830(2) 0.87205(17) 0.0305(7) Uani 1 1 d . U . A 3
C14N C 0.45187(14) 0.6561(2) 0.82381(18) 0.0333(8) Uani 1 1 d . U . A 3
H14N H 0.4324 0.6991 0.7999 0.040 Uiso 1 1 calc R U . A 3
C15N C 0.44033(13) 0.5716(2) 0.80789(17) 0.0294(7) Uani 1 1 d . U . A 3
C16N C 0.40290(14) 0.5435(2) 0.75354(18) 0.0322(8) Uani 1 1 d . U . A 3
C17N C 0.37316(15) 0.6056(3) 0.70555(18) 0.0393(9) Uani 1 1 d . U . A 3
H17A H 0.3578 0.6519 0.7313 0.047 Uiso 1 1 calc R U . A 3
H17B H 0.3438 0.5745 0.6819 0.047 Uiso 1 1 calc R U . A 3
C18N C 0.40773(18) 0.6460(3) 0.6545(2) 0.0489(10) Uani 1 1 d . U . A 3
H18A H 0.3864 0.6844 0.6256 0.059 Uiso 1 1 calc R U . A 3
H18B H 0.4225 0.6007 0.6280 0.059 Uiso 1 1 calc R U . A 3
H18C H 0.4363 0.6784 0.6774 0.059 Uiso 1 1 calc R U . A 3
U1 U 0.61918(2) 0.44625(9) 0.65945(3) 0.0339(3) Uani 0.2585(15) 1 d . U P B 2
U7 U 0.6384(5) 0.4017(10) 0.6504(6) 0.0608(11) Uani 0.0189(6) 1 d . . P B 2
U6 U 0.7219(4) 0.3973(7) 0.6426(5) 0.0608(11) Uani 0.0205(5) 1 d . . P B 2
U3 U 0.6198(3) 0.5000 0.6515(5) 0.076(4) Uani 0.046(3) 2 d S TU P B 2
U5 U 0.7182(2) 0.4639(4) 0.7940(3) 0.046(2) Uani 0.0288(7) 1 d . . P B 2
U4 U 0.6767(2) 0.3839(4) 0.7297(3) 0.0913(19) Uani 0.0657(15) 1 d . . P B 2
U2 U 0.65060(18) 0.37403(18) 0.70399(19) 0.0608(11) Uani 0.0843(13) 1 d . . P B
2
C1A C 0.7401(5) 0.5000 0.4954(5) 0.139(4) Uani 1 2 d DS TU P C 1
C2A C 0.6947(6) 0.5482(9) 0.4826(8) 0.120(5) Uani 0.5 1 d D U P C 1
C3A C 0.6579(5) 0.5000 0.4817(5) 0.120(4) Uani 1 2 d DS TU P C 1
C4A C 0.6899(6) 0.4082(10) 0.4925(8) 0.103(4) Uani 0.5 1 d D U P C 1
C5A C 0.7435(5) 0.4234(7) 0.5059(5) 0.085(4) Uani 0.5 1 d D U P C 1
C6A C 0.8206(5) 0.4304(10) 0.5859(7) 0.113(5) Uani 0.5 1 d D U P C 1
C7A C 0.8419(7) 0.4119(11) 0.6498(8) 0.104(4) Uani 0.5 1 d D U P C 1
C8A C 0.8584(4) 0.5000 0.6783(7) 0.113(3) Uani 1 2 d DS TU P C 1
C9A C 0.8464(7) 0.5600(9) 0.6338(6) 0.128(6) Uani 0.5 1 d D U P C 1
C10A C 0.8246(5) 0.5220(8) 0.5737(6) 0.123(5) Uani 0.5 1 d D U P C 1
C11A C 0.7700(6) 0.6516(8) 0.5523(8) 0.117(5) Uani 0.5 1 d D U P C 1
C12A C 0.7916(5) 0.6898(9) 0.6141(5) 0.122(5) Uani 0.5 1 d D U P C 1
C13A C 0.7547(7) 0.7465(11) 0.6426(8) 0.123(5) Uani 0.5 1 d D U P C 1
C14A C 0.7069(8) 0.7428(12) 0.5951(8) 0.119(5) Uani 0.5 1 d D U P C 1
C15A C 0.7189(7) 0.6786(9) 0.5399(9) 0.131(6) Uani 0.5 1 d D U P C 1
C16A C 0.6254(9) 0.6494(13) 0.5259(9) 0.110(5) Uani 0.5 1 d D U P C 1
C17A C 0.6097(8) 0.7030(13) 0.5801(9) 0.109(5) Uani 0.5 1 d D U P C 1
C18A C 0.5656(6) 0.6666(11) 0.6074(7) 0.103(4) Uani 0.5 1 d D U P C 1
C19A C 0.5534(9) 0.5895(14) 0.5762(9) 0.113(5) Uani 0.5 1 d D U P C 1
C20A C 0.5898(10) 0.5782(15) 0.5255(10) 0.115(5) Uani 0.5 1 d D U P C 1
C21A C 0.5306(5) 0.5000 0.6133(7) 0.136(4) Uani 1 2 d DS TU P C 1
C22A C 0.5294(5) 0.5000 0.6851(7) 0.130(4) Uani 1 2 d DS TU P C 1
C23A C 0.5501(6) 0.4375(13) 0.7140(9) 0.113(5) Uani 0.5 1 d D U P C 1
C24A C 0.5593(5) 0.3751(10) 0.6570(8) 0.102(4) Uani 0.5 1 d D U P C 1
C25A C 0.5514(9) 0.4229(15) 0.6007(9) 0.119(6) Uani 0.5 1 d D U P C 1
C26A C 0.6663(6) 0.2410(11) 0.7380(9) 0.110(5) Uani 0.5 1 d D U P C 1
C27A C 0.6954(5) 0.2235(7) 0.6817(7) 0.084(3) Uani 0.5 1 d D U P C 1
C28A C 0.7496(6) 0.2337(12) 0.6948(8) 0.081(4) Uani 0.5 1 d D U P C 1
C29A C 0.7570(5) 0.2546(8) 0.7706(6) 0.079(3) Uani 0.5 1 d D U P C 1
C30A C 0.7057(6) 0.2547(11) 0.7921(7) 0.087(4) Uani 0.5 1 d D U P C 1
C31A C 0.7929(8) 0.2926(9) 0.7957(7) 0.091(4) Uani 0.5 1 d D U P C 1
C32A C 0.8306(8) 0.3424(12) 0.7518(9) 0.095(4) Uani 0.5 1 d D U P C 1
C33A C 0.8422(9) 0.4244(12) 0.7841(9) 0.103(5) Uani 0.5 1 d D U P C 1
C34A C 0.8250(6) 0.4160(8) 0.8485(5) 0.089(4) Uani 0.5 1 d D U P C 1
C35A C 0.7832(7) 0.3543(9) 0.8553(5) 0.089(4) Uani 0.5 1 d D U P C 1
C36A C 0.8486(8) 0.5916(11) 0.7714(8) 0.149(7) Uani 0.5 1 d D U P C 1
C37A C 0.8290(7) 0.6573(8) 0.7358(7) 0.148(7) Uani 0.5 1 d D U P C 1
C38A C 0.7910(7) 0.7087(9) 0.7542(8) 0.145(6) Uani 0.5 1 d D U P C 1
C39A C 0.7910(8) 0.6621(10) 0.8209(8) 0.168(7) Uani 0.5 1 d D U P C 1
C40A C 0.8240(6) 0.5820(10) 0.8217(8) 0.151(6) Uani 0.5 1 d D U P C 1
C41A C 0.6073(9) 0.7167(14) 0.7185(8) 0.121(4) Uani 0.5 1 d D U P C 1
C42A C 0.5634(7) 0.6813(11) 0.6824(6) 0.092(4) Uani 0.5 1 d D U P C 1
C43A C 0.5494(8) 0.6064(12) 0.7172(8) 0.112(5) Uani 0.5 1 d D U P C 1
C44A C 0.5752(9) 0.5980(14) 0.7760(9) 0.113(5) Uani 0.5 1 d D U P C 1
C45A C 0.6134(8) 0.6699(12) 0.7800(9) 0.120(5) Uani 0.5 1 d D U P C 1
C46A C 0.6188(7) 0.3434(11) 0.5470(9) 0.116(6) Uani 0.5 1 d D U P C 1
C47A C 0.6737(7) 0.3406(11) 0.5207(11) 0.110(5) Uani 0.5 1 d D U P C 1
C48A C 0.7073(7) 0.2843(11) 0.5633(8) 0.090(4) Uani 0.5 1 d D U P C 1
C49A C 0.6738(8) 0.2478(12) 0.6101(9) 0.091(5) Uani 0.5 1 d D U P C 1
C50A C 0.6216(7) 0.2835(13) 0.6060(9) 0.106(5) Uani 0.5 1 d D U P C 1
C51A C 0.6986(5) 0.3153(10) 0.8508(6) 0.093(4) Uani 0.5 1 d D U P C 1
C52A C 0.7446(6) 0.3594(9) 0.8786(7) 0.096(4) Uani 0.5 1 d D U P C 1
C53A C 0.7241(7) 0.4429(10) 0.8989(8) 0.123(5) Uani 0.5 1 d D U P C 1
C54A C 0.6691(5) 0.4426(9) 0.8756(9) 0.133(5) Uani 0.5 1 d D U P C 1
C55A C 0.6537(7) 0.3567(10) 0.8500(9) 0.144(6) Uani 0.5 1 d D U P C 1
C56A C 0.7257(6) 0.5973(9) 0.8843(8) 0.142(6) Uani 0.5 1 d D U P C 1
C57A C 0.6704(7) 0.5939(10) 0.8644(10) 0.124(5) Uani 0.5 1 d D U P C 1
C58A C 0.6535(7) 0.6629(10) 0.8215(7) 0.121(4) Uani 0.5 1 d D U P C 1
C59A C 0.6959(9) 0.7181(12) 0.8097(10) 0.123(6) Uani 0.5 1 d D U P C 1
C60A C 0.7425(7) 0.6716(10) 0.8444(9) 0.174(6) Uani 0.5 1 d D U P C 1
C1C C 0.7846(10) 0.3735(10) 0.5595(10) 0.127(5) Uani 0.5 1 d D U P C 1
C2C C 0.7841(5) 0.5643(7) 0.5335(6) 0.121(5) Uani 0.5 1 d D U P C 1
C3C C 0.6762(7) 0.6360(11) 0.5087(10) 0.114(5) Uani 0.5 1 d D U P C 1
C4C C 0.6012(5) 0.5000 0.5083(5) 0.128(4) Uani 1 2 d DS TU P C 1
C5C C 0.5868(8) 0.4203(18) 0.5440(11) 0.132(6) Uani 0.5 1 d D U P C 1
C6C C 0.7592(7) 0.3036(12) 0.5852(8) 0.095(4) Uani 0.5 1 d . U P C 1
C7C C 0.8278(6) 0.6432(8) 0.6563(8) 0.137(6) Uani 0.5 1 d D U P C 1
C8C C 0.7480(9) 0.7550(16) 0.7137(9) 0.148(7) Uani 0.5 1 d D U P C 1
C9C C 0.6975(8) 0.7624(13) 0.7396(9) 0.127(5) Uani 0.5 1 d D U P C 1
C10C C 0.6481(7) 0.7640(10) 0.6904(9) 0.097(4) Uani 0.5 1 d D U P C 1
C11C C 0.6522(10) 0.7478(16) 0.6211(11) 0.114(6) Uani 0.5 1 d D U P C 1
C12C C 0.5938(4) 0.5000 0.8081(5) 0.103(3) Uani 1 2 d DS TU P C 1
C13C C 0.5816(7) 0.4354(16) 0.7767(9) 0.123(6) Uani 0.5 1 d D U P C 1
C14C C 0.6112(8) 0.3453(11) 0.7946(11) 0.139(6) Uani 0.5 1 d D U P C 1
C15C C 0.6182(9) 0.2804(18) 0.7348(14) 0.120(5) Uani 0.5 1 d . U P C 1
C16C C 0.5958(6) 0.3014(13) 0.6655(9) 0.115(5) Uani 0.5 1 d D U P C 1
C17C C 0.7824(6) 0.2781(11) 0.6592(8) 0.081(3) Uani 0.5 1 d . U P C 1
C18C C 0.8259(7) 0.3376(11) 0.6874(8) 0.080(4) Uani 0.5 1 d . U P C 1
C19C C 0.8569(4) 0.5000 0.7500(8) 0.132(4) Uani 1 2 d DS TU P C 1
C20C C 0.6459(5) 0.5000 0.8597(6) 0.152(5) Uani 1 2 d DS TU P C 1
C21C C 0.8092(4) 0.5000 0.8697(5) 0.131(4) Uani 1 2 d DS TU P C 1
C22C C 0.7556(5) 0.5190(9) 0.8977(5) 0.109(5) Uani 0.5 1 d D U P C 1


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1B C6B 1.357(9) . ?
C1B C2B 1.413(12) . ?
C1B H1B 0.9300 . ?
C2B C3B 1.397(13) . ?
C2B H2B 0.9300 . ?
C3B C4B 1.369(11) . ?
C3B H3B 0.9300 . ?
C4B C5B 1.318(10) . ?
C4B H4B 0.9300 . ?
C5B C6B 1.421(10) . ?
C5B H5B 0.9300 . ?
C6B H6B 0.9300 . ?
C7B C8B 1.416(17) . ?
C7B C9B 1.464(18) 2_656 ?
C7B H7B 0.9300 . ?
C8B C9B 1.296(17) . ?
C8B H8B 0.9300 . ?
C9B C7B 1.465(18) 2_656 ?
C9B H9B 0.9300 . ?
Ni1 N1 1.951(4) . ?
Ni1 N3 1.958(4) . ?
Ni1 N2 1.959(3) . ?
Ni1 N2 1.959(3) 6_565 ?
N1 C15N 1.393(4) . ?
N1 C15N 1.393(4) 6_565 ?
N3 C1N 1.395(4) . ?
N3 C1N 1.395(4) 6_565 ?
N2 C6N 1.380(4) . ?
N2 C13N 1.384(4) . ?
C1N C5N 1.362(5) . ?
C1N C2N 1.445(5) . ?
C2N C2N 1.341(8) 6_565 ?
C2N C3N 1.499(5) . ?
C3N C4N 1.527(6) . ?
C3N H3N1 0.9700 . ?
C3N H3N2 0.9700 . ?
C4N H4N1 0.9600 . ?
C4N H4N2 0.9600 . ?
C4N H4N3 0.9600 . ?
C5N C6N 1.379(5) . ?
C5N H5N 0.9300 . ?
C6N C7N 1.433(5) . ?
C7N C10N 1.347(5) . ?
C7N C8N 1.514(5) . ?
C8N C9N 1.528(6) . ?
C8N H8N1 0.9700 . ?
C8N H8N2 0.9700 . ?
C9N H9N1 0.9600 . ?
C9N H9N2 0.9600 . ?
C9N H9N3 0.9600 . ?
C10N C13N 1.450(5) . ?
C10N C11N 1.521(5) . ?
C11N C12N 1.497(7) . ?
C11N H11A 0.9700 . ?
C11N H11B 0.9700 . ?
C12N H12A 0.9600 . ?
C12N H12B 0.9600 . ?
C12N H12C 0.9600 . ?
C13N C14N 1.366(5) . ?
C14N C15N 1.360(5) . ?
C14N H14N 0.9300 . ?
C15N C16N 1.448(5) . ?
C16N C16N 1.334(7) 6_565 ?
C16N C17N 1.509(5) . ?
C17N C18N 1.514(6) . ?
C17N H17A 0.9700 . ?
C17N H17B 0.9700 . ?
C18N H18A 0.9600 . ?
C18N H18B 0.9600 . ?
C18N H18C 0.9600 . ?
U1 U3 0.839(2) . ?
U1 U7 0.862(17) . ?
U1 U2 1.592(4) . ?
U1 U1 1.648(3) 6_565 ?
U1 U4 2.160(6) . ?
U1 U7 2.390(17) 6_565 ?
U1 U6 2.721(9) . ?
U1 U2 2.983(3) 6_565 ?
U1 U4 3.245(5) 6_565 ?
U1 U5 3.535(6) . ?
U1 U6 3.548(10) 6_565 ?
U1 U5 3.784(6) 6_565 ?
U7 U2 1.170(13) . ?
U7 U3 1.578(16) . ?
U7 U4 1.811(14) . ?
U7 U6 2.107(16) . ?
U7 U1 2.390(17) 6_565 ?
U7 U7 3.02(3) 6_565 ?
U7 U5 3.508(13) . ?
U7 U2 3.607(15) 6_565 ?
U7 U6 3.732(16) 6_565 ?
U7 U4 3.743(15) 6_565 ?
U7 U5 3.955(13) 6_565 ?
U6 U4 2.146(10) . ?
U6 U2 2.261(9) . ?
U6 U3 3.016(12) . ?
U6 U6 3.15(2) 6_565 ?
U6 U5 3.194(11) . ?
U6 U1 3.548(10) 6_565 ?
U6 U5 3.700(11) 6_565 ?
U6 U7 3.732(16) 6_565 ?
U6 U4 3.977(11) 6_565 ?
U3 U1 0.839(2) 6_565 ?
U3 U7 1.578(16) 6_565 ?
U3 U2 2.303(6) 6_565 ?
U3 U2 2.303(6) . ?
U3 U4 2.705(8) 6_565 ?
U3 U4 2.705(8) . ?
U3 U6 3.016(12) 6_565 ?
U3 U5 3.671(10) . ?
U3 U5 3.671(10) 6_565 ?
U5 U5 1.108(12) 6_565 ?
U5 U4 2.011(10) . ?
U5 U2 2.750(8) . ?
U5 U4 2.827(9) 6_565 ?
U5 U2 3.441(7) 6_565 ?
U5 U6 3.700(11) 6_565 ?
U5 U1 3.784(6) 6_565 ?
U5 U7 3.955(13) 6_565 ?
U4 U2 0.815(4) . ?
U4 U5 2.827(9) 6_565 ?
U4 U1 3.245(5) 6_565 ?
U4 U4 3.560(11) 6_565 ?
U4 U7 3.743(15) 6_565 ?
U4 U2 3.796(6) 6_565 ?
U4 U6 3.977(11) 6_565 ?
U2 U1 2.983(3) 6_565 ?
U2 U5 3.441(7) 6_565 ?
U2 U7 3.607(15) 6_565 ?
U2 U4 3.797(6) 6_565 ?
U2 U2 3.862(6) 6_565 ?
C1A C5A 1.195(11) 6_565 ?
C1A C5A 1.195(11) . ?
C1A C2A 1.364(14) 6_565 ?
C1A C2A 1.364(14) . ?
C1A C2C 1.626(16) 6_565 ?
C1A C2C 1.626(16) . ?
C1A C4A 1.885(17) 6_565 ?
C1A C4A 1.885(17) . ?
C2A C4A 0.710(19) 6_565 ?
C2A C3A 1.181(15) . ?
C2A C5A 1.349(14) 6_565 ?
C2A C2A 1.48(3) 6_565 ?
C2A C3C 1.528(18) . ?
C2A C47A 1.95(2) 6_565 ?
C3A C2A 1.181(15) 6_565 ?
C3A C4C 1.548(17) . ?
C3A C4A 1.626(14) . ?
C3A C4A 1.626(15) 6_565 ?
C4A C2A 0.710(19) 6_565 ?
C4A C3C 0.835(19) 6_565 ?
C4A C47A 1.26(2) . ?
C4A C5A 1.370(17) . ?
C4A C15A 1.76(2) 6_565 ?
C4A C16A 1.99(3) 6_565 ?
C5A C2C 1.137(15) 6_565 ?
C5A C2A 1.349(14) 6_565 ?
C5A C11A 1.591(15) 6_565 ?
C5A C1C 1.62(2) . ?
C5A C15A 1.828(18) 6_565 ?
C5A C3C 1.92(2) 6_565 ?
C6A C10A 0.78(2) 6_565 ?
C6A C9A 1.125(17) 6_565 ?
C6A C1C 1.34(2) . ?
C6A C2C 1.343(16) 6_565 ?
C6A C7A 1.376(17) . ?
C6A C10A 1.430(16) . ?
C6A C7C 1.800(19) 6_565 ?
C6A C11A 1.88(2) 6_565 ?
C7A C9A 0.553(18) 6_565 ?
C7A C7C 0.927(18) 6_565 ?
C7A C18C 1.43(2) . ?
C7A C8A 1.512(19) . ?
C7A C10A 1.852(17) 6_565 ?
C7A C37A 2.06(2) 6_565 ?
C8A C9A 1.297(14) . ?
C8A C9A 1.297(14) 6_565 ?
C8A C19C 1.434(16) . ?
C8A C7A 1.512(19) 6_565 ?
C9A C7A 0.552(18) 6_565 ?
C9A C6A 1.125(17) 6_565 ?
C9A C10A 1.408(12) . ?
C9A C7C 1.440(13) . ?
C9A C10A 1.795(15) 6_565 ?
C9A C9A 1.84(3) 6_565 ?
C9A C18C 1.985(18) 6_565 ?
C10A C10A 0.67(2) 6_565 ?
C10A C6A 0.78(2) 6_565 ?
C10A C2C 1.407(12) . ?
C10A C9A 1.795(15) 6_565 ?
C10A C2C 1.819(14) 6_565 ?
C10A C7A 1.852(17) 6_565 ?
C10A C1C 1.90(2) 6_565 ?
C11A C1C 0.54(3) 6_565 ?
C11A C6C 1.00(2) 6_565 ?
C11A C15A 1.350(17) . ?
C11A C2C 1.441(13) . ?
C11A C12A 1.435(12) . ?
C11A C5A 1.591(15) 6_565 ?
C11A C48A 1.88(2) 6_565 ?
C11A C6A 1.88(2) 6_565 ?
C12A C6C 0.966(19) 6_565 ?
C12A C17C 1.065(19) 6_565 ?
C12A C7C 1.391(13) . ?
C12A C1C 1.46(2) 6_565 ?
C12A C13A 1.416(17) . ?
C12A C18C 1.70(2) 6_565 ?
C13A C17C 0.84(2) 6_565 ?
C13A C28A 1.10(2) 6_565 ?
C13A C6C 1.39(2) 6_565 ?
C13A C8C 1.45(2) . ?
C13A C14A 1.474(19) . ?
C13A C27A 1.78(2) 6_565 ?
C13A C48A 1.97(2) 6_565 ?
C14A C48A 0.76(2) 6_565 ?
C14A C49A 0.91(2) 6_565 ?
C14A C11C 1.50(3) . ?
C14A C6C 1.51(3) 6_565 ?
C14A C15A 1.521(18) . ?
C14A C27A 1.85(2) 6_565 ?
C15A C48A 0.80(2) 6_565 ?
C15A C47A 1.20(3) 6_565 ?
C15A C6C 1.33(2) 6_565 ?
C15A C3C 1.36(2) . ?
C15A C4A 1.76(2) 6_565 ?
C15A C5A 1.828(18) 6_565 ?
C15A C1C 1.85(3) 6_565 ?
C16A C46A 0.47(2) 6_565 ?
C16A C47A 1.23(3) 6_565 ?
C16A C3C 1.35(3) . ?
C16A C17A 1.43(2) . ?
C16A C5C 1.50(3) 6_565 ?
C16A C20A 1.41(2) . ?
C16A C50A 1.91(3) 6_565 ?
C16A C4A 1.99(3) 6_565 ?
C17A C50A 0.62(2) 6_565 ?
C17A C46A 1.01(2) 6_565 ?
C17A C18A 1.38(2) . ?
C17A C11C 1.47(3) . ?
C17A C16C 1.76(2) 6_565 ?
C17A C49A 1.84(3) 6_565 ?
C17A C5C 2.09(3) 6_565 ?
C18A C24A 1.199(19) 6_565 ?
C18A C19A 1.36(2) . ?
C18A C25A 1.42(3) 6_565 ?
C18A C16C 1.43(2) 6_565 ?
C18A C42A 1.517(19) . ?
C18A C50A 1.60(3) 6_565 ?
C18A C46A 1.86(2) 6_565 ?
C18A C5C 1.94(3) 6_565 ?
C19A C25A 0.53(3) 6_565 ?
C19A C5C 1.10(3) 6_565 ?
C19A C20A 1.42(2) . ?
C19A C21A 1.68(2) . ?
C19A C24A 1.70(2) 6_565 ?
C20A C5C 0.38(3) 6_565 ?
C20A C4C 1.28(2) . ?
C20A C46A 1.45(3) 6_565 ?
C20A C25A 1.84(3) 6_565 ?
C21A C25A 1.322(19) 6_565 ?
C21A C25A 1.322(19) . ?
C21A C22A 1.433(16) . ?
C21A C19A 1.68(2) 6_565 ?
C22A C23A 1.215(17) 6_565 ?
C22A C23A 1.215(17) . ?
C22A C43A 1.81(2) 6_565 ?
C22A C43A 1.81(2) . ?
C23A C43A 0.68(3) 6_565 ?
C23A C13C 1.43(2) . ?
C23A C44A 1.45(3) 6_565 ?
C23A C24A 1.51(2) . ?
C23A C23A 1.92(4) 6_565 ?
C23A C42A 1.96(3) 6_565 ?
C24A C42A 1.004(19) 6_565 ?
C24A C18A 1.199(19) 6_565 ?
C24A C43A 1.27(2) 6_565 ?
C24A C25A 1.34(2) . ?
C24A C16C 1.46(2) . ?
C24A C19A 1.70(2) 6_565 ?
C25A C19A 0.53(3) 6_565 ?
C25A C18A 1.42(3) 6_565 ?
C25A C5C 1.48(3) . ?
C25A C20A 1.84(3) 6_565 ?
C26A C9C 0.78(2) 6_565 ?
C26A C10C 1.03(2) 6_565 ?
C26A C15C 1.34(2) . ?
C26A C27A 1.406(19) . ?
C26A C30A 1.426(18) . ?
C26A C41A 1.63(3) 6_565 ?
C26A C59A 1.68(3) 6_565 ?
C27A C9C 1.17(2) 6_565 ?
C27A C10C 1.22(2) 6_565 ?
C27A C28A 1.372(18) . ?
C27A C8C 1.46(2) 6_565 ?
C27A C49A 1.54(2) . ?
C27A C11C 1.63(2) 6_565 ?
C27A C13A 1.78(2) 6_565 ?
C27A C14A 1.85(2) 6_565 ?
C28A C8C 0.42(3) 6_565 ?
C28A C13A 1.10(2) 6_565 ?
C28A C17C 1.31(2) . ?
C28A C29A 1.544(17) . ?
C28A C9C 1.63(2) 6_565 ?
C28A C38A 1.76(2) 6_565 ?
C29A C38A 1.09(2) 6_565 ?
C29A C31A 1.15(2) . ?
C29A C8C 1.15(2) 6_565 ?
C29A C30A 1.384(18) . ?
C29A C9C 1.60(2) 6_565 ?
C29A C39A 1.80(2) 6_565 ?
C29A C59A 1.81(3) 6_565 ?
C29A C60A 1.91(2) 6_565 ?
C30A C59A 0.61(2) 6_565 ?
C30A C9C 1.08(2) 6_565 ?
C30A C51A 1.51(2) . ?
C30A C60A 1.75(2) 6_565 ?
C30A C58A 1.94(2) 6_565 ?
C30A C8C 1.95(3) 6_565 ?
C31A C39A 0.860(19) 6_565 ?
C31A C38A 0.828(19) 6_565 ?
C31A C32A 1.536(19) . ?
C31A C35A 1.551(18) . ?
C31A C60A 1.73(3) 6_565 ?
C31A C37A 1.73(2) 6_565 ?
C31A C40A 2.12(2) 6_565 ?
C32A C37A 0.32(2) 6_565 ?
C32A C36A 1.16(2) 6_565 ?
C32A C38A 1.27(2) 6_565 ?
C32A C18C 1.28(2) . ?
C32A C33A 1.43(2) . ?
C32A C40A 1.83(2) 6_565 ?
C32A C39A 1.75(2) 6_565 ?
C32A C7C 1.91(2) 6_565 ?
C33A C36A 0.40(3) 6_565 ?
C33A C40A 0.91(2) 6_565 ?
C33A C19C 1.406(18) . ?
C33A C34A 1.387(18) . ?
C33A C37A 1.60(2) 6_565 ?
C33A C39A 2.02(3) 6_565 ?
C34A C40A 0.534(18) 6_565 ?
C34A C21C 1.420(13) . ?
C34A C35A 1.425(17) . ?
C34A C39A 1.55(2) 6_565 ?
C34A C36A 1.69(2) 6_565 ?
C35A C39A 0.769(18) 6_565 ?
C35A C52A 1.103(19) . ?
C35A C60A 1.10(2) 6_565 ?
C35A C40A 1.59(2) 6_565 ?
C35A C56A 1.75(2) 6_565 ?
C36A C33A 0.40(3) 6_565 ?
C36A C32A 1.16(2) 6_565 ?
C36A C40A 1.222(17) . ?
C36A C37A 1.306(16) . ?
C36A C19C 1.486(17) . ?
C36A C34A 1.69(2) 6_565 ?
C36A C18C 2.04(2) 6_565 ?
C37A C32A 0.32(2) 6_565 ?
C37A C18C 0.97(2) 6_565 ?
C37A C38A 1.307(16) . ?
C37A C7C 1.599(18) . ?
C37A C33A 1.60(2) 6_565 ?
C37A C31A 1.73(2) 6_565 ?
C37A C7A 2.06(2) 6_565 ?
C37A C39A 2.003(9) . ?
C37A C17C 2.11(2) 6_565 ?
C38A C31A 0.828(19) 6_565 ?
C38A C29A 1.09(2) 6_565 ?
C38A C32A 1.27(2) 6_565 ?
C38A C8C 1.48(2) . ?
C38A C39A 1.511(17) . ?
C38A C28A 1.76(2) 6_565 ?
C38A C18C 1.79(2) 6_565 ?
C38A C17C 1.90(2) 6_565 ?
C39A C31A 0.86(2) 6_565 ?
C39A C35A 0.769(18) 6_565 ?
C39A C40A 1.478(18) . ?
C39A C60A 1.34(2) . ?
C39A C32A 1.75(2) 6_565 ?
C39A C34A 1.55(2) 6_565 ?
C39A C29A 1.80(2) 6_565 ?
C39A C52A 1.72(2) 6_565 ?
C39A C33A 2.02(3) 6_565 ?
C40A C34A 0.535(18) 6_565 ?
C40A C33A 0.91(2) 6_565 ?
C40A C35A 1.59(2) 6_565 ?
C40A C32A 1.83(2) 6_565 ?
C40A C21C 1.639(11) . ?
C40A C31A 2.12(2) 6_565 ?
C41A C15C 0.41(3) 6_565 ?
C41A C16C 1.11(2) 6_565 ?
C41A C42A 1.38(2) . ?
C41A C10C 1.40(3) . ?
C41A C45A 1.42(2) . ?
C41A C26A 1.63(3) 6_565 ?
C41A C14C 1.79(3) 6_565 ?
C42A C16C 0.94(2) 6_565 ?
C42A C24A 1.004(19) 6_565 ?
C42A C43A 1.399(19) . ?
C42A C15C 1.77(3) 6_565 ?
C42A C23A 1.96(3) 6_565 ?
C43A C23A 0.68(3) 6_565 ?
C43A C24A 1.27(2) 6_565 ?
C43A C44A 1.31(2) . ?
C43A C13C 1.53(2) 6_565 ?
C44A C13C 0.54(3) 6_565 ?
C44A C14C 1.29(3) 6_565 ?
C44A C23A 1.45(3) 6_565 ?
C44A C45A 1.46(2) . ?
C44A C12C 1.685(19) . ?
C45A C14C 0.38(3) 6_565 ?
C45A C15C 1.19(3) 6_565 ?
C45A C58A 1.26(2) . ?
C45A C55A 1.71(2) 6_565 ?
C45A C13C 1.80(3) 6_565 ?
C46A C16A 0.47(2) 6_565 ?
C46A C17A 1.01(2) 6_565 ?
C46A C5C 1.43(3) . ?
C46A C20A 1.45(3) 6_565 ?
C46A C50A 1.49(2) . ?
C46A C47A 1.50(2) . ?
C46A C3C 1.70(2) 6_565 ?
C46A C18A 1.86(2) 6_565 ?
C47A C3C 0.44(2) 6_565 ?
C47A C15A 1.20(3) 6_565 ?
C47A C16A 1.23(3) 6_565 ?
C47A C48A 1.440(18) . ?
C47A C2A 1.95(2) 6_565 ?
C48A C14A 0.76(2) 6_565 ?
C48A C15A 0.80(2) 6_565 ?
C48A C6C 1.37(2) . ?
C48A C49A 1.41(2) . ?
C48A C3C 1.78(2) 6_565 ?
C48A C11A 1.88(2) 6_565 ?
C48A C13A 1.97(2) 6_565 ?
C48A C11C 1.92(3) 6_565 ?
C49A C11C 0.60(3) 6_565 ?
C49A C14A 0.91(2) 6_565 ?
C49A C50A 1.41(2) . ?
C49A C10C 1.78(2) 6_565 ?
C49A C17A 1.84(3) 6_565 ?
C50A C17A 0.62(2) 6_565 ?
C50A C11C 0.93(2) 6_565 ?
C50A C16C 1.42(2) . ?
C50A C18A 1.60(3) 6_565 ?
C50A C16A 1.91(3) 6_565 ?
C50A C10C 1.91(3) 6_565 ?
C51A C59A 0.97(2) 6_565 ?
C51A C60A 1.13(2) 6_565 ?
C51A C58A 1.28(2) 6_565 ?
C51A C55A 1.289(16) . ?
C51A C52A 1.414(18) . ?
C51A C57A 1.59(2) 6_565 ?
C51A C56A 1.62(2) 6_565 ?
C52A C56A 0.828(17) 6_565 ?
C52A C60A 0.83(2) 6_565 ?
C52A C53A 1.448(16) . ?
C52A C39A 1.72(2) 6_565 ?
C52A C22C 1.92(2) 6_565 ?
C52A C57A 1.99(2) 6_565 ?
C53A C56A 0.68(2) 6_565 ?
C53A C22C 0.98(2) 6_565 ?
C53A C54A 1.421(18) . ?
C53A C22C 1.41(2) . ?
C53A C57A 1.57(2) 6_565 ?
C53A C53A 1.75(3) 6_565 ?
C54A C57A 0.60(2) 6_565 ?
C54A C20C 1.090(16) . ?
C54A C55A 1.454(19) . ?
C54A C56A 1.54(2) 6_565 ?
C54A C54A 1.76(3) 6_565 ?
C54A C58A 1.97(2) 6_565 ?
C55A C58A 0.64(2) 6_565 ?
C55A C57A 0.90(2) 6_565 ?
C55A C14C 1.49(3) . ?
C55A C45A 1.71(2) 6_565 ?
C55A C59A 1.79(3) 6_565 ?
C55A C56A 2.01(2) 6_565 ?
C56A C53A 0.68(2) 6_565 ?
C56A C52A 0.828(17) 6_565 ?
C56A C22C 1.430(19) . ?
C56A C57A 1.41(2) . ?
C56A C60A 1.468(19) . ?
C56A C54A 1.54(2) 6_565 ?
C56A C51A 1.62(2) 6_565 ?
C56A C35A 1.75(2) 6_565 ?
C56A C22C 1.94(2) 6_565 ?
C56A C55A 2.01(2) 6_565 ?
C57A C54A 0.60(2) 6_565 ?
C57A C55A 0.90(2) 6_565 ?
C57A C58A 1.408(18) . ?
C57A C20C 1.564(19) . ?
C57A C51A 1.59(2) 6_565 ?
C57A C53A 1.57(2) 6_565 ?
C57A C52A 1.99(2) 6_565 ?
C58A C55A 0.64(2) 6_565 ?
C58A C14C 1.16(2) 6_565 ?
C58A C51A 1.28(2) 6_565 ?
C58A C59A 1.39(2) . ?
C58A C30A 1.94(2) 6_565 ?
C58A C54A 1.97(2) 6_565 ?
C59A C30A 0.61(2) 6_565 ?
C59A C51A 0.97(2) 6_565 ?
C59A C60A 1.50(2) . ?
C59A C9C 1.56(2) . ?
C59A C26A 1.68(3) 6_565 ?
C59A C55A 1.79(3) 6_565 ?
C59A C29A 1.81(3) 6_565 ?
C60A C52A 0.83(2) 6_565 ?
C60A C35A 1.10(2) 6_565 ?
C60A C51A 1.13(2) 6_565 ?
C60A C31A 1.73(3) 6_565 ?
C60A C30A 1.75(2) 6_565 ?
C60A C29A 1.91(2) 6_565 ?
C1C C11A 0.54(3) 6_565 ?
C1C C2C 1.09(2) 6_565 ?
C1C C6C 1.36(3) . ?
C1C C12A 1.46(2) 6_565 ?
C1C C15A 1.85(3) 6_565 ?
C1C C10A 1.90(2) 6_565 ?
C2C C1C 1.09(2) 6_565 ?
C2C C5A 1.137(15) 6_565 ?
C2C C6A 1.342(16) 6_565 ?
C2C C10A 1.819(14) 6_565 ?
C2C C2C 1.97(2) 6_565 ?
C3C C47A 0.44(2) 6_565 ?
C3C C4A 0.836(19) 6_565 ?
C3C C46A 1.70(2) 6_565 ?
C3C C48A 1.78(2) 6_565 ?
C3C C5A 1.92(2) 6_565 ?
C4C C20A 1.28(2) 6_565 ?
C4C C5C 1.47(2) 6_565 ?
C4C C5C 1.47(2) . ?
C5C C20A 0.38(3) 6_565 ?
C5C C19A 1.10(3) 6_565 ?
C5C C16A 1.50(3) 6_565 ?
C5C C18A 1.94(3) 6_565 ?
C5C C17A 2.09(3) 6_565 ?
C6C C12A 0.967(19) 6_565 ?
C6C C11A 1.00(2) 6_565 ?
C6C C15A 1.33(2) 6_565 ?
C6C C13A 1.39(2) 6_565 ?
C6C C14A 1.51(3) 6_565 ?
C6C C17C 1.60(2) . ?
C7C C18C 0.690(19) 6_565 ?
C7C C7A 0.927(18) 6_565 ?
C7C C17C 1.66(2) 6_565 ?
C7C C6A 1.800(19) 6_565 ?
C7C C32A 1.91(2) 6_565 ?
C8C C28A 0.42(3) 6_565 ?
C8C C29A 1.15(2) 6_565 ?
C8C C9C 1.40(3) . ?
C8C C27A 1.46(2) 6_565 ?
C8C C17C 1.52(2) 6_565 ?
C8C C30A 1.95(3) 6_565 ?
C9C C26A 0.78(2) 6_565 ?
C9C C30A 1.08(2) 6_565 ?
C9C C27A 1.17(2) 6_565 ?
C9C C10C 1.52(3) . ?
C9C C29A 1.59(2) 6_565 ?
C9C C28A 1.63(2) 6_565 ?
C10C C26A 1.03(2) 6_565 ?
C10C C27A 1.22(2) 6_565 ?
C10C C15C 1.38(3) 6_565 ?
C10C C11C 1.41(2) . ?
C10C C16C 1.69(3) 6_565 ?
C10C C49A 1.78(2) 6_565 ?
C10C C50A 1.91(3) 6_565 ?
C11C C49A 0.60(3) 6_565 ?
C11C C50A 0.93(2) 6_565 ?
C11C C27A 1.63(2) 6_565 ?
C11C C16C 1.88(3) 6_565 ?
C11C C48A 1.92(3) 6_565 ?
C12C C13C 1.20(2) 6_565 ?
C12C C13C 1.20(2) . ?
C12C C20C 1.605(17) . ?
C12C C44A 1.685(19) 6_565 ?
C13C C44A 0.54(3) 6_565 ?
C13C C43A 1.53(2) 6_565 ?
C13C C14C 1.60(3) . ?
C13C C45A 1.80(3) 6_565 ?
C13C C13C 1.98(5) 6_565 ?
C14C C45A 0.38(3) 6_565 ?
C14C C58A 1.16(2) 6_565 ?
C14C C44A 1.29(3) 6_565 ?
C14C C15C 1.57(3) . ?
C14C C41A 1.79(3) 6_565 ?
C15C C41A 0.41(3) 6_565 ?
C15C C45A 1.19(3) 6_565 ?
C15C C10C 1.38(3) 6_565 ?
C15C C16C 1.49(3) . ?
C15C C42A 1.77(3) 6_565 ?
C16C C42A 0.94(2) 6_565 ?
C16C C41A 1.11(2) 6_565 ?
C16C C18A 1.43(2) 6_565 ?
C16C C10C 1.69(3) 6_565 ?
C16C C17A 1.76(2) 6_565 ?
C16C C11C 1.88(3) 6_565 ?
C17C C13A 0.84(2) 6_565 ?
C17C C12A 1.065(19) 6_565 ?
C17C C18C 1.50(2) . ?
C17C C8C 1.52(2) 6_565 ?
C17C C7C 1.66(2) 6_565 ?
C17C C38A 1.90(2) 6_565 ?
C17C C37A 2.11(2) 6_565 ?
C18C C7C 0.691(19) 6_565 ?
C18C C37A 0.97(2) 6_565 ?
C18C C12A 1.70(2) 6_565 ?
C18C C38A 1.79(2) 6_565 ?
C18C C9A 1.985(18) 6_565 ?
C18C C36A 2.04(2) 6_565 ?
C19C C33A 1.406(18) 6_565 ?
C19C C36A 1.486(17) 6_565 ?
C20C C54A 1.090(16) 6_565 ?
C20C C57A 1.564(19) 6_565 ?
C21C C34A 1.420(13) 6_565 ?
C21C C22C 1.517(12) . ?
C21C C22C 1.517(12) 6_565 ?
C21C C40A 1.639(11) 6_565 ?
C22C C22C 0.58(3) 6_565 ?
C22C C53A 0.98(2) 6_565 ?
C22C C52A 1.92(2) 6_565 ?
C22C C56A 1.94(2) 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
C6B C1B C2B 116.1(7) . . ?
C6B C1B H1B 122.0 . . ?
C2B C1B H1B 122.0 . . ?
C3B C2B C1B 121.0(7) . . ?
C3B C2B H2B 119.5 . . ?
C1B C2B H2B 119.5 . . ?
C4B C3B C2B 118.6(8) . . ?
C4B C3B H3B 120.7 . . ?
C2B C3B H3B 120.7 . . ?
C5B C4B C3B 123.1(8) . . ?
C5B C4B H4B 118.4 . . ?
C3B C4B H4B 118.4 . . ?
C4B C5B C6B 117.7(7) . . ?
C4B C5B H5B 121.1 . . ?
C6B C5B H5B 121.1 . . ?
C1B C6B C5B 123.4(7) . . ?
C1B C6B H6B 118.3 . . ?
C5B C6B H6B 118.3 . . ?
C8B C7B C9B 124.5(13) . 2_656 ?
C8B C7B H7B 117.8 . . ?
C9B C7B H7B 117.8 2_656 . ?
C9B C8B C7B 109.3(11) . . ?
C9B C8B H8B 125.4 . . ?
C7B C8B H8B 125.4 . . ?
C8B C9B C7B 121.8(14) . 2_656 ?
C8B C9B H9B 119.1 . . ?
C7B C9B H9B 119.1 2_656 . ?
N1 Ni1 N3 178.24(16) . . ?
N1 Ni1 N2 90.04(8) . . ?
N3 Ni1 N2 89.93(8) . . ?
N1 Ni1 N2 90.04(8) . 6_565 ?
N3 Ni1 N2 89.93(8) . 6_565 ?
N2 Ni1 N2 177.86(16) . 6_565 ?
C15N N1 C15N 104.0(4) . 6_565 ?
C15N N1 Ni1 128.01(19) . . ?
C15N N1 Ni1 128.01(19) 6_565 . ?
C1N N3 C1N 104.4(4) . 6_565 ?
C1N N3 Ni1 127.74(19) . . ?
C1N N3 Ni1 127.74(19) 6_565 . ?
C6N N2 C13N 103.9(3) . . ?
C6N N2 Ni1 128.4(2) . . ?
C13N N2 Ni1 127.7(2) . . ?
C5N C1N N3 124.7(3) . . ?
C5N C1N C2N 124.9(3) . . ?
N3 C1N C2N 110.4(3) . . ?
C2N C2N C1N 107.4(2) 6_565 . ?
C2N C2N C3N 128.6(2) 6_565 . ?
C1N C2N C3N 123.8(3) . . ?
C2N C3N C4N 112.9(3) . . ?
C2N C3N H3N1 109.0 . . ?
C4N C3N H3N1 109.0 . . ?
C2N C3N H3N2 109.0 . . ?
C4N C3N H3N2 109.0 . . ?
H3N1 C3N H3N2 107.8 . . ?
C3N C4N H4N1 109.5 . . ?
C3N C4N H4N2 109.5 . . ?
H4N1 C4N H4N2 109.5 . . ?
C3N C4N H4N3 109.5 . . ?
H4N1 C4N H4N3 109.5 . . ?
H4N2 C4N H4N3 109.5 . . ?
C1N C5N C6N 125.0(3) . . ?
C1N C5N H5N 117.5 . . ?
C6N C5N H5N 117.5 . . ?
C5N C6N N2 124.3(3) . . ?
C5N C6N C7N 123.9(3) . . ?
N2 C6N C7N 111.8(3) . . ?
C10N C7N C6N 106.7(3) . . ?
C10N C7N C8N 128.4(4) . . ?
C6N C7N C8N 124.9(3) . . ?
C7N C8N C9N 113.1(3) . . ?
C7N C8N H8N1 109.0 . . ?
C9N C8N H8N1 109.0 . . ?
C7N C8N H8N2 109.0 . . ?
C9N C8N H8N2 109.0 . . ?
H8N1 C8N H8N2 107.8 . . ?
C8N C9N H9N1 109.5 . . ?
C8N C9N H9N2 109.5 . . ?
H9N1 C9N H9N2 109.5 . . ?
C8N C9N H9N3 109.5 . . ?
H9N1 C9N H9N3 109.5 . . ?
H9N2 C9N H9N3 109.5 . . ?
C7N C10N C13N 106.8(3) . . ?
C7N C10N C11N 129.6(3) . . ?
C13N C10N C11N 123.6(3) . . ?
C12N C11N C10N 114.1(4) . . ?
C12N C11N H11A 108.7 . . ?
C10N C11N H11A 108.7 . . ?
C12N C11N H11B 108.7 . . ?
C10N C11N H11B 108.7 . . ?
H11A C11N H11B 107.6 . . ?
C11N C12N H12A 109.5 . . ?
C11N C12N H12B 109.5 . . ?
H12A C12N H12B 109.5 . . ?
C11N C12N H12C 109.5 . . ?
H12A C12N H12C 109.5 . . ?
H12B C12N H12C 109.5 . . ?
C14N C13N N2 124.7(3) . . ?
C14N C13N C10N 124.5(3) . . ?
N2 C13N C10N 110.8(3) . . ?
C15N C14N C13N 125.3(3) . . ?
C15N C14N H14N 117.4 . . ?
C13N C14N H14N 117.4 . . ?
C14N C15N N1 124.3(3) . . ?
C14N C15N C16N 125.0(3) . . ?
N1 C15N C16N 110.7(3) . . ?
C16N C16N C15N 107.3(2) 6_565 . ?
C16N C16N C17N 129.1(2) 6_565 . ?
C15N C16N C17N 123.5(3) . . ?
C16N C17N C18N 113.9(3) . . ?
C16N C17N H17A 108.8 . . ?
C18N C17N H17A 108.8 . . ?
C16N C17N H17B 108.8 . . ?
C18N C17N H17B 108.8 . . ?
H17A C17N H17B 107.7 . . ?
C17N C18N H18A 109.5 . . ?
C17N C18N H18B 109.5 . . ?
H18A C18N H18B 109.5 . . ?
C17N C18N H18C 109.5 . . ?
H18A C18N H18C 109.5 . . ?
H18B C18N H18C 109.5 . . ?
U3 U1 U7 136.1(10) . . ?
U3 U1 U2 140.6(6) . . ?
U7 U1 U2 45.9(8) . . ?
U3 U1 U1 11.0(7) . 6_565 ?
U7 U1 U1 142.4(7) . 6_565 ?
U2 U1 U1 134.04(16) . 6_565 ?
U3 U1 U4 122.4(6) . . ?
U7 U1 U4 55.1(8) . . ?
U2 U1 U4 18.16(15) . . ?
U1 U1 U4 116.27(18) 6_565 . ?
U3 U1 U7 11.9(6) . 6_565 ?
U7 U1 U7 129.7(10) . 6_565 ?
U2 U1 U7 128.8(3) . 6_565 ?
U1 U1 U7 12.7(3) 6_565 6_565 ?
U4 U1 U7 110.6(3) . 6_565 ?
U3 U1 U6 102.5(6) . . ?
U7 U1 U6 37.8(8) . . ?
U2 U1 U6 56.2(2) . . ?
U1 U1 U6 106.0(2) 6_565 . ?
U4 U1 U6 50.6(2) . . ?
U7 U1 U6 93.6(4) 6_565 . ?
U3 U1 U2 30.9(6) . 6_565 ?
U7 U1 U2 130.9(8) . 6_565 ?
U2 U1 U2 111.5(2) . 6_565 ?
U1 U1 U2 22.56(10) 6_565 6_565 ?
U4 U1 U2 93.8(3) . 6_565 ?
U7 U1 U2 21.8(3) 6_565 6_565 ?
U6 U1 U2 93.4(2) . 6_565 ?
U3 U1 U4 44.0(6) . 6_565 ?
U7 U1 U4 119.3(8) . 6_565 ?
U2 U1 U4 97.5(3) . 6_565 ?
U1 U1 U4 36.64(14) 6_565 6_565 ?
U4 U1 U4 79.6(3) . 6_565 ?
U7 U1 U4 33.3(3) 6_565 6_565 ?
U6 U1 U4 83.1(2) . 6_565 ?
U2 U1 U4 14.25(8) 6_565 6_565 ?
U3 U1 U5 92.7(6) . . ?
U7 U1 U5 81.2(8) . . ?
U2 U1 U5 48.44(18) . . ?
U1 U1 U5 85.62(10) 6_565 . ?
U4 U1 U5 30.8(2) . . ?
U7 U1 U5 81.3(3) 6_565 . ?
U6 U1 U5 59.7(2) . . ?
U2 U1 U5 63.06(14) 6_565 . ?
U4 U1 U5 49.05(17) 6_565 . ?
U3 U1 U6 45.2(5) . 6_565 ?
U7 U1 U6 95.6(8) . 6_565 ?
U2 U1 U6 100.9(2) . 6_565 ?
U1 U1 U6 47.48(16) 6_565 6_565 ?
U4 U1 U6 84.6(2) . 6_565 ?
U7 U1 U6 35.2(3) 6_565 6_565 ?
U6 U1 U6 58.5(4) . 6_565 ?
U2 U1 U6 39.32(16) 6_565 6_565 ?
U4 U1 U6 36.49(18) 6_565 6_565 ?
U5 U1 U6 62.97(19) . 6_565 ?
U3 U1 U5 75.9(6) . 6_565 ?
U7 U1 U5 95.1(8) . 6_565 ?
U2 U1 U5 65.40(18) . 6_565 ?
U1 U1 U5 68.65(9) 6_565 6_565 ?
U4 U1 U5 47.7(2) . 6_565 ?
U7 U1 U5 64.7(3) 6_565 6_565 ?
U6 U1 U5 67.0(2) . 6_565 ?
U2 U1 U5 46.09(13) 6_565 6_565 ?
U4 U1 U5 32.10(16) 6_565 6_565 ?
U5 U1 U5 16.97(18) . 6_565 ?
U6 U1 U5 51.52(18) 6_565 6_565 ?
U1 U7 U2 102.1(12) . . ?
U1 U7 U3 21.6(5) . . ?
U2 U7 U3 113.1(11) . . ?
U1 U7 U4 101.9(10) . . ?
U2 U7 U4 19.9(3) . . ?
U3 U7 U4 105.7(8) . . ?
U1 U7 U6 127.7(10) . . ?
U2 U7 U6 81.9(8) . . ?
U3 U7 U6 109.0(7) . . ?
U4 U7 U6 65.9(5) . . ?
U1 U7 U1 24.9(5) . 6_565 ?
U2 U7 U1 109.0(9) . 6_565 ?
U3 U7 U1 6.3(3) . 6_565 ?
U4 U7 U1 100.3(6) . 6_565 ?
U6 U7 U1 104.0(5) . 6_565 ?
U1 U7 U7 37.6(7) . 6_565 ?
U2 U7 U7 111.2(8) . 6_565 ?
U3 U7 U7 17.2(5) . 6_565 ?
U4 U7 U7 98.7(5) . 6_565 ?
U6 U7 U7 91.8(5) . 6_565 ?
U1 U7 U7 12.7(3) 6_565 6_565 ?
U1 U7 U5 84.8(8) . . ?
U2 U7 U5 41.9(5) . . ?
U3 U7 U5 83.2(6) . . ?
U4 U7 U5 24.7(3) . . ?
U6 U7 U5 63.7(4) . . ?
U1 U7 U5 77.3(3) 6_565 . ?
U7 U7 U5 74.2(3) 6_565 . ?
U1 U7 U2 38.7(6) . 6_565 ?
U2 U7 U2 93.6(8) . 6_565 ?
U3 U7 U2 26.4(4) . 6_565 ?
U4 U7 U2 81.7(5) . 6_565 ?
U6 U7 U2 89.3(5) . 6_565 ?
U1 U7 U2 20.14(16) 6_565 6_565 ?
U7 U7 U2 17.6(2) 6_565 6_565 ?
U5 U7 U2 57.8(2) . 6_565 ?
U1 U7 U6 71.1(7) . 6_565 ?
U2 U7 U6 103.0(7) . 6_565 ?
U3 U7 U6 51.6(4) . 6_565 ?
U4 U7 U6 84.1(4) . 6_565 ?
U6 U7 U6 57.5(5) . 6_565 ?
U1 U7 U6 46.7(3) 6_565 6_565 ?
U7 U7 U6 34.3(3) 6_565 6_565 ?
U5 U7 U6 61.4(3) . 6_565 ?
U2 U7 U6 35.8(2) 6_565 6_565 ?
U1 U7 U4 49.1(7) . 6_565 ?
U2 U7 U4 83.7(7) . 6_565 ?
U3 U7 U4 39.0(4) . 6_565 ?
U4 U7 U4 70.1(5) . 6_565 ?
U6 U7 U4 80.4(4) . 6_565 ?
U1 U7 U4 32.7(2) 6_565 6_565 ?
U7 U7 U4 28.6(2) 6_565 6_565 ?
U5 U7 U4 45.7(2) . 6_565 ?
U2 U7 U4 12.56(8) 6_565 6_565 ?
U6 U7 U4 33.4(2) 6_565 6_565 ?
U1 U7 U5 72.4(8) . 6_565 ?
U2 U7 U5 56.0(6) . 6_565 ?
U3 U7 U5 68.1(5) . 6_565 ?
U4 U7 U5 40.2(4) . 6_565 ?
U6 U7 U5 67.4(4) . 6_565 ?
U1 U7 U5 62.0(3) 6_565 6_565 ?
U7 U7 U5 58.6(2) 6_565 6_565 ?
U5 U7 U5 15.64(18) . 6_565 ?
U2 U7 U5 42.33(18) 6_565 6_565 ?
U6 U7 U5 49.0(2) 6_565 6_565 ?
U4 U7 U5 30.13(17) 6_565 6_565 ?
U7 U6 U4 50.4(4) . . ?
U7 U6 U2 30.8(4) . . ?
U4 U6 U2 21.12(15) . . ?
U7 U6 U1 14.5(4) . . ?
U4 U6 U1 51.0(3) . . ?
U2 U6 U1 35.80(17) . . ?
U7 U6 U3 29.6(5) . . ?
U4 U6 U3 60.4(3) . . ?
U2 U6 U3 49.2(3) . . ?
U1 U6 U3 15.77(11) . . ?
U7 U6 U6 88.2(5) . 6_565 ?
U4 U6 U6 95.5(3) . 6_565 ?
U2 U6 U6 99.1(3) . 6_565 ?
U1 U6 U6 74.0(2) . 6_565 ?
U3 U6 U6 58.5(2) . 6_565 ?
U7 U6 U5 80.0(5) . . ?
U4 U6 U5 38.3(3) . . ?
U2 U6 U5 57.5(3) . . ?
U1 U6 U5 72.9(2) . . ?
U3 U6 U5 72.4(3) . . ?
U6 U6 U5 71.4(2) 6_565 . ?
U7 U6 U1 40.8(5) . 6_565 ?
U4 U6 U1 64.1(3) . 6_565 ?
U2 U6 U1 56.7(2) . 6_565 ?
U1 U6 U1 26.52(11) . 6_565 ?
U3 U6 U1 11.39(9) . 6_565 ?
U6 U6 U1 47.49(16) 6_565 6_565 ?
U5 U6 U1 68.1(2) . 6_565 ?
U7 U6 U5 80.8(5) . 6_565 ?
U4 U6 U5 49.5(3) . 6_565 ?
U2 U6 U5 65.4(3) . 6_565 ?
U1 U6 U5 70.4(2) . 6_565 ?
U3 U6 U5 65.4(3) . 6_565 ?
U6 U6 U5 54.89(18) 6_565 6_565 ?
U5 U6 U5 16.49(19) . 6_565 ?
U1 U6 U5 58.34(18) 6_565 6_565 ?
U7 U6 U7 53.8(7) . 6_565 ?
U4 U6 U7 73.6(4) . 6_565 ?
U2 U6 U7 69.1(3) . 6_565 ?
U1 U6 U7 39.7(3) . 6_565 ?
U3 U6 U7 24.2(3) . 6_565 ?
U6 U6 U7 34.3(3) 6_565 6_565 ?
U5 U6 U7 69.2(3) . 6_565 ?
U1 U6 U7 13.3(3) 6_565 6_565 ?
U5 U6 U7 56.3(3) 6_565 6_565 ?
U7 U6 U4 68.1(5) . 6_565 ?
U4 U6 U4 63.0(3) . 6_565 ?
U2 U6 U4 68.8(3) . 6_565 ?
U1 U6 U4 54.12(19) . 6_565 ?
U3 U6 U4 42.8(2) . 6_565 ?
U6 U6 U4 32.50(16) 6_565 6_565 ?
U5 U6 U4 44.80(19) . 6_565 ?
U1 U6 U4 32.74(13) 6_565 6_565 ?
U5 U6 U4 30.11(16) 6_565 6_565 ?
U7 U6 U4 26.9(2) 6_565 6_565 ?
U1 U3 U1 158.0(14) 6_565 . ?
U1 U3 U7 161.7(9) 6_565 . ?
U1 U3 U7 22.3(6) . . ?
U1 U3 U7 22.3(6) 6_565 6_565 ?
U1 U3 U7 161.7(9) . 6_565 ?
U7 U3 U7 145.6(9) . 6_565 ?
U1 U3 U2 26.0(4) 6_565 6_565 ?
U1 U3 U2 138.3(8) . 6_565 ?
U7 U3 U2 135.8(6) . 6_565 ?
U7 U3 U2 27.9(5) 6_565 6_565 ?
U1 U3 U2 138.3(8) 6_565 . ?
U1 U3 U2 26.0(4) . . ?
U7 U3 U2 27.9(5) . . ?
U7 U3 U2 135.8(6) 6_565 . ?
U2 U3 U2 113.9(4) 6_565 . ?
U1 U3 U4 42.4(5) 6_565 6_565 ?
U1 U3 U4 123.6(7) . 6_565 ?
U7 U3 U4 119.5(6) . 6_565 ?
U7 U3 U4 40.1(5) 6_565 6_565 ?
U2 U3 U4 16.35(12) 6_565 6_565 ?
U2 U3 U4 98.3(4) . 6_565 ?
U1 U3 U4 123.6(7) 6_565 . ?
U1 U3 U4 42.4(5) . . ?
U7 U3 U4 40.1(5) . . ?
U7 U3 U4 119.5(6) 6_565 . ?
U2 U3 U4 98.3(4) 6_565 . ?
U2 U3 U4 16.35(12) . . ?
U4 U3 U4 82.3(4) 6_565 . ?
U1 U3 U6 123.4(6) 6_565 . ?
U1 U3 U6 61.7(5) . . ?
U7 U3 U6 41.3(5) . . ?
U7 U3 U6 104.2(5) 6_565 . ?
U2 U3 U6 101.9(3) 6_565 . ?
U2 U3 U6 48.0(2) . . ?
U4 U3 U6 87.9(3) 6_565 . ?
U4 U3 U6 43.6(2) . . ?
U1 U3 U6 61.7(5) 6_565 6_565 ?
U1 U3 U6 123.4(6) . 6_565 ?
U7 U3 U6 104.2(5) . 6_565 ?
U7 U3 U6 41.3(5) 6_565 6_565 ?
U2 U3 U6 48.0(2) 6_565 6_565 ?
U2 U3 U6 101.9(3) . 6_565 ?
U4 U3 U6 43.6(2) 6_565 6_565 ?
U4 U3 U6 87.9(3) . 6_565 ?
U6 U3 U6 62.9(4) . 6_565 ?
U1 U3 U5 91.3(6) 6_565 . ?
U1 U3 U5 74.1(5) . . ?
U7 U3 U5 71.6(5) . . ?
U7 U3 U5 88.4(5) 6_565 . ?
U2 U3 U5 65.8(2) 6_565 . ?
U2 U3 U5 48.4(2) . . ?
U4 U3 U5 49.9(2) 6_565 . ?
U4 U3 U5 32.5(2) . . ?
U6 U3 U5 56.0(2) . . ?
U6 U3 U5 66.3(3) 6_565 . ?
U1 U3 U5 74.1(5) 6_565 6_565 ?
U1 U3 U5 91.3(6) . 6_565 ?
U7 U3 U5 88.4(5) . 6_565 ?
U7 U3 U5 71.6(5) 6_565 6_565 ?
U2 U3 U5 48.4(2) 6_565 6_565 ?
U2 U3 U5 65.8(2) . 6_565 ?
U4 U3 U5 32.5(2) 6_565 6_565 ?
U4 U3 U5 49.9(2) . 6_565 ?
U6 U3 U5 66.3(3) . 6_565 ?
U6 U3 U5 56.0(2) 6_565 6_565 ?
U5 U3 U5 17.36(19) . 6_565 ?
U5 U5 U4 127.6(2) 6_565 . ?
U5 U5 U2 120.05(14) 6_565 . ?
U4 U5 U2 8.43(16) . . ?
U5 U5 U4 34.34(16) 6_565 6_565 ?
U4 U5 U4 93.2(3) . 6_565 ?
U2 U5 U4 85.8(2) . 6_565 ?
U5 U5 U6 108.6(2) 6_565 . ?
U4 U5 U6 41.4(2) . . ?
U2 U5 U6 43.93(19) . . ?
U4 U5 U6 82.4(2) 6_565 . ?
U5 U5 U2 43.77(12) 6_565 6_565 ?
U4 U5 U2 83.9(2) . 6_565 ?
U2 U5 U2 76.28(19) . 6_565 ?
U4 U5 U2 9.86(10) 6_565 6_565 ?
U6 U5 U2 77.5(2) . 6_565 ?
U5 U5 U7 105.8(3) 6_565 . ?
U4 U5 U7 22.1(3) . . ?
U2 U5 U7 16.5(2) . . ?
U4 U5 U7 71.5(3) 6_565 . ?
U6 U5 U7 36.3(3) . . ?
U2 U5 U7 62.5(3) 6_565 . ?
U5 U5 U1 94.38(10) 6_565 . ?
U4 U5 U1 33.38(17) . . ?
U2 U5 U1 25.68(9) . . ?
U4 U5 U1 60.13(15) 6_565 . ?
U6 U5 U1 47.37(19) . . ?
U2 U5 U1 50.62(11) 6_565 . ?
U7 U5 U1 14.1(3) . . ?
U5 U5 U3 81.32(10) 6_565 . ?
U4 U5 U3 46.28(18) . . ?
U2 U5 U3 38.81(10) . . ?
U4 U5 U3 47.01(14) 6_565 . ?
U6 U5 U3 51.6(2) . . ?
U2 U5 U3 37.62(9) 6_565 . ?
U7 U5 U3 25.3(3) . . ?
U1 U5 U3 13.20(4) . . ?
U5 U5 U6 54.89(18) 6_565 6_565 ?
U4 U5 U6 82.6(3) . 6_565 ?
U2 U5 U6 78.7(2) . 6_565 ?
U4 U5 U6 35.30(18) 6_565 6_565 ?
U6 U5 U6 53.7(3) . 6_565 ?
U2 U5 U6 36.70(16) 6_565 6_565 ?
U7 U5 U6 62.3(3) . 6_565 ?
U1 U5 U6 58.69(18) . 6_565 ?
U3 U5 U6 48.3(2) . 6_565 ?
U5 U5 U1 68.65(10) 6_565 6_565 ?
U4 U5 U1 59.03(19) . 6_565 ?
U2 U5 U1 51.41(12) . 6_565 ?
U4 U5 U1 34.44(13) 6_565 6_565 ?
U6 U5 U1 60.4(2) . 6_565 ?
U2 U5 U1 24.88(8) 6_565 6_565 ?
U7 U5 U1 38.0(3) . 6_565 ?
U1 U5 U1 25.73(6) . 6_565 ?
U3 U5 U1 12.81(4) . 6_565 ?
U6 U5 U1 42.62(16) 6_565 6_565 ?
U5 U5 U7 58.6(2) 6_565 6_565 ?
U4 U5 U7 69.1(3) . 6_565 ?
U2 U5 U7 62.1(3) . 6_565 ?
U4 U5 U7 24.4(2) 6_565 6_565 ?
U6 U5 U7 61.9(3) . 6_565 ?
U2 U5 U7 16.4(2) 6_565 6_565 ?
U7 U5 U7 47.2(5) . 6_565 ?
U1 U5 U7 36.7(2) . 6_565 ?
U3 U5 U7 23.5(2) . 6_565 ?
U6 U5 U7 31.7(3) 6_565 6_565 ?
U1 U5 U7 12.5(2) 6_565 6_565 ?
U2 U4 U7 29.3(5) . . ?
U2 U4 U5 150.4(6) . . ?
U7 U4 U5 133.1(5) . . ?
U2 U4 U6 87.4(5) . . ?
U7 U4 U6 63.7(5) . . ?
U5 U4 U6 100.3(4) . . ?
U2 U4 U1 37.5(3) . . ?
U7 U4 U1 23.0(5) . . ?
U5 U4 U1 115.8(3) . . ?
U6 U4 U1 78.4(3) . . ?
U2 U4 U3 52.7(4) . . ?
U7 U4 U3 34.2(5) . . ?
U5 U4 U3 101.2(3) . . ?
U6 U4 U3 75.9(4) . . ?
U1 U4 U3 15.19(12) . . ?
U2 U4 U5 133.7(5) . 6_565 ?
U7 U4 U5 115.3(5) . 6_565 ?
U5 U4 U5 18.1(2) . 6_565 ?
U6 U4 U5 95.2(3) . 6_565 ?
U1 U4 U5 97.8(2) . 6_565 ?
U3 U4 U5 83.1(2) . 6_565 ?
U2 U4 U1 64.3(4) . 6_565 ?
U7 U4 U1 46.4(5) . 6_565 ?
U5 U4 U1 88.9(2) . 6_565 ?
U6 U4 U1 79.5(3) . 6_565 ?
U1 U4 U1 27.09(8) . 6_565 ?
U3 U4 U1 12.44(13) . 6_565 ?
U5 U4 U1 70.82(17) 6_565 6_565 ?
U2 U4 U4 100.7(4) . 6_565 ?
U7 U4 U4 81.3(5) . 6_565 ?
U5 U4 U4 52.4(2) . 6_565 ?
U6 U4 U4 84.5(3) . 6_565 ?
U1 U4 U4 63.73(18) . 6_565 ?
U3 U4 U4 48.85(19) . 6_565 ?
U5 U4 U4 34.34(16) 6_565 6_565 ?
U1 U4 U4 36.65(13) 6_565 6_565 ?
U2 U4 U7 74.2(4) . 6_565 ?
U7 U4 U7 52.8(6) . 6_565 ?
U5 U4 U7 80.8(3) . 6_565 ?
U6 U4 U7 73.0(3) . 6_565 ?
U1 U4 U7 36.7(2) . 6_565 ?
U3 U4 U7 21.5(2) . 6_565 ?
U5 U4 U7 62.7(3) 6_565 6_565 ?
U1 U4 U7 11.6(2) 6_565 6_565 ?
U4 U4 U7 28.6(2) 6_565 6_565 ?
U2 U4 U2 88.5(4) . 6_565 ?
U7 U4 U2 70.1(5) . 6_565 ?
U5 U4 U2 64.3(2) . 6_565 ?
U6 U4 U2 83.8(3) . 6_565 ?
U1 U4 U2 51.64(15) . 6_565 ?
U3 U4 U2 36.90(16) . 6_565 ?
U5 U4 U2 46.25(15) 6_565 6_565 ?
U1 U4 U2 24.58(10) 6_565 6_565 ?
U4 U4 U2 12.18(7) 6_565 6_565 ?
U7 U4 U2 17.8(2) 6_565 6_565 ?
U2 U4 U6 97.0(4) . 6_565 ?
U7 U4 U6 69.0(4) . 6_565 ?
U5 U4 U6 67.3(2) . 6_565 ?
U6 U4 U6 52.0(4) . 6_565 ?
U1 U4 U6 62.67(17) . 6_565 ?
U3 U4 U6 49.3(2) . 6_565 ?
U5 U4 U6 52.8(2) 6_565 6_565 ?
U1 U4 U6 42.79(15) 6_565 6_565 ?
U4 U4 U6 32.50(16) 6_565 6_565 ?
U7 U4 U6 31.5(3) 6_565 6_565 ?
U2 U4 U6 33.72(14) 6_565 6_565 ?
U4 U2 U7 130.8(7) . . ?
U4 U2 U1 124.4(5) . . ?
U7 U2 U1 32.0(8) . . ?
U4 U2 U6 71.5(5) . . ?
U7 U2 U6 67.3(7) . . ?
U1 U2 U6 88.1(3) . . ?
U4 U2 U3 111.0(5) . . ?
U7 U2 U3 39.1(8) . . ?
U1 U2 U3 13.38(17) . . ?
U6 U2 U3 82.7(4) . . ?
U4 U2 U5 21.2(5) . . ?
U7 U2 U5 121.6(6) . . ?
U1 U2 U5 105.9(2) . . ?
U6 U2 U5 78.5(3) . . ?
U3 U2 U5 92.8(2) . . ?
U4 U2 U1 101.5(4) . 6_565 ?
U7 U2 U1 49.2(8) . 6_565 ?
U1 U2 U1 23.40(8) . 6_565 ?
U6 U2 U1 84.0(3) . 6_565 ?
U3 U2 U1 10.8(2) . 6_565 ?
U5 U2 U1 82.50(15) . 6_565 ?
U4 U2 U5 36.4(4) . 6_565 ?
U7 U2 U5 107.6(7) . 6_565 ?
U1 U2 U5 89.71(16) . 6_565 ?
U6 U2 U5 77.9(3) . 6_565 ?
U3 U2 U5 76.6(2) . 6_565 ?
U5 U2 U5 16.18(18) . 6_565 ?
U1 U2 U5 66.32(12) 6_565 6_565 ?
U4 U2 U7 93.3(5) . 6_565 ?
U7 U2 U7 51.2(8) . 6_565 ?
U1 U2 U7 31.1(2) . 6_565 ?
U6 U2 U7 75.1(3) . 6_565 ?
U3 U2 U7 17.8(3) . 6_565 ?
U5 U2 U7 75.6(3) . 6_565 ?
U1 U2 U7 10.4(2) 6_565 6_565 ?
U5 U2 U7 59.6(2) 6_565 6_565 ?
U4 U2 U4 67.1(5) . 6_565 ?
U7 U2 U4 78.5(7) . 6_565 ?
U1 U2 U4 57.95(19) . 6_565 ?
U6 U2 U4 77.5(3) . 6_565 ?
U3 U2 U4 44.8(2) . 6_565 ?
U5 U2 U4 47.95(16) . 6_565 ?
U1 U2 U4 34.59(13) 6_565 6_565 ?
U5 U2 U4 31.79(14) 6_565 6_565 ?
U7 U2 U4 28.2(2) 6_565 6_565 ?
U4 U2 U2 79.3(4) . 6_565 ?
U7 U2 U2 68.8(8) . 6_565 ?
U1 U2 U2 45.96(16) . 6_565 ?
U6 U2 U2 80.9(3) . 6_565 ?
U3 U2 U2 33.0(2) . 6_565 ?
U5 U2 U2 59.95(14) . 6_565 ?
U1 U2 U2 22.56(10) 6_565 6_565 ?
U5 U2 U2 43.77(12) 6_565 6_565 ?
U7 U2 U2 17.6(2) 6_565 6_565 ?
U4 U2 U2 12.18(7) 6_565 6_565 ?
C5A C1A C5A 158.8(13) 6_565 . ?
C5A C1A C2A 127.8(12) 6_565 6_565 ?
C5A C1A C2A 63.2(7) . 6_565 ?
C5A C1A C2A 63.2(7) 6_565 . ?
C5A C1A C2A 127.8(12) . . ?
C2A C1A C2A 65.5(13) 6_565 . ?
C5A C1A C2C 118.4(9) 6_565 6_565 ?
C5A C1A C2C 44.4(7) . 6_565 ?
C2A C1A C2C 106.7(6) 6_565 6_565 ?
C2A C1A C2C 160.7(11) . 6_565 ?
C5A C1A C2C 44.4(7) 6_565 . ?
C5A C1A C2C 118.4(9) . . ?
C2A C1A C2C 160.7(11) 6_565 . ?
C2A C1A C2C 106.7(6) . . ?
C2C C1A C2C 74.6(7) 6_565 . ?
C5A C1A C4A 46.5(7) 6_565 6_565 ?
C5A C1A C4A 141.1(10) . 6_565 ?
C2A C1A C4A 81.6(9) 6_565 6_565 ?
C2A C1A C4A 17.3(7) . 6_565 ?
C2C C1A C4A 153.6(9) 6_565 6_565 ?
C2C C1A C4A 89.5(5) . 6_565 ?
C5A C1A C4A 141.1(10) 6_565 . ?
C5A C1A C4A 46.5(7) . . ?
C2A C1A C4A 17.3(7) 6_565 . ?
C2A C1A C4A 81.6(9) . . ?
C2C C1A C4A 89.5(5) 6_565 . ?
C2C C1A C4A 153.6(9) . . ?
C4A C1A C4A 96.6(9) 6_565 . ?
C4A C2A C3A 116(2) 6_565 . ?
C4A C2A C5A 76.6(18) 6_565 6_565 ?
C3A C2A C5A 153.5(16) . 6_565 ?
C4A C2A C1A 128(2) 6_565 . ?
C3A C2A C1A 107.7(12) . . ?
C5A C2A C1A 52.3(6) 6_565 . ?
C4A C2A C2A 160(2) 6_565 6_565 ?
C3A C2A C2A 51.3(7) . 6_565 ?
C5A C2A C2A 108.9(8) 6_565 6_565 ?
C1A C2A C2A 57.2(6) . 6_565 ?
C4A C2A C3C 9.3(18) 6_565 . ?
C3A C2A C3C 107.5(13) . . ?
C5A C2A C3C 83.5(11) 6_565 . ?
C1A C2A C3C 133.0(11) . . ?
C2A C2A C3C 151.8(10) 6_565 . ?
C4A C2A C47A 9.6(18) 6_565 6_565 ?
C3A C2A C47A 108.7(11) . 6_565 ?
C5A C2A C47A 81.1(11) 6_565 6_565 ?
C1A C2A C47A 130.0(11) . 6_565 ?
C2A C2A C47A 150.8(8) 6_565 6_565 ?
C3C C2A C47A 3.3(12) . 6_565 ?
C2A C3A C2A 77.4(14) . 6_565 ?
C2A C3A C4C 136.8(9) . . ?
C2A C3A C4C 136.8(9) 6_565 . ?
C2A C3A C4A 99.3(11) . . ?
C2A C3A C4A 23.0(8) 6_565 . ?
C4C C3A C4A 114.2(6) . . ?
C2A C3A C4A 23.0(8) . 6_565 ?
C2A C3A C4A 99.3(11) 6_565 6_565 ?
C4C C3A C4A 114.2(6) . 6_565 ?
C4A C3A C4A 119.8(12) . 6_565 ?
C2A C4A C3C 163(3) 6_565 6_565 ?
C2A C4A C47A 165(3) 6_565 . ?
C3C C4A C47A 6.0(18) 6_565 . ?
C2A C4A C5A 73.2(17) 6_565 . ?
C3C C4A C5A 119(2) 6_565 . ?
C47A C4A C5A 113.1(15) . . ?
C2A C4A C3A 40.6(15) 6_565 . ?
C3C C4A C3A 123(2) 6_565 . ?
C47A C4A C3A 126.9(12) . . ?
C5A C4A C3A 110.3(11) . . ?
C2A C4A C15A 142(2) 6_565 6_565 ?
C3C C4A C15A 48.9(15) 6_565 6_565 ?
C47A C4A C15A 43.2(11) . 6_565 ?
C5A C4A C15A 70.2(9) . 6_565 ?
C3A C4A C15A 155.0(12) . 6_565 ?
C2A C4A C1A 34.8(14) 6_565 . ?
C3C C4A C1A 152(2) 6_565 . ?
C47A C4A C1A 146.6(16) . . ?
C5A C4A C1A 39.2(6) . . ?
C3A C4A C1A 71.3(7) . . ?
C15A C4A C1A 107.4(10) 6_565 . ?
C2A C4A C16A 132(2) 6_565 6_565 ?
C3C C4A C16A 31.5(16) 6_565 6_565 ?
C47A C4A C16A 36.2(10) . 6_565 ?
C5A C4A C16A 144.5(12) . 6_565 ?
C3A C4A C16A 91.4(9) . 6_565 ?
C15A C4A C16A 78.4(9) 6_565 6_565 ?
C1A C4A C16A 150.9(11) . 6_565 ?
C2C C5A C1A 88.4(12) 6_565 . ?
C2C C5A C4A 162.3(13) 6_565 . ?
C1A C5A C4A 94.3(9) . . ?
C2C C5A C2A 150.5(13) 6_565 6_565 ?
C1A C5A C2A 64.5(8) . 6_565 ?
C4A C5A C2A 30.3(8) . 6_565 ?
C2C C5A C11A 61.1(9) 6_565 6_565 ?
C1A C5A C11A 146.5(11) . 6_565 ?
C4A C5A C11A 110.7(11) . 6_565 ?
C2A C5A C11A 139.9(13) 6_565 6_565 ?
C2C C5A C1C 41.9(10) 6_565 . ?
C1A C5A C1C 127.8(11) . . ?
C4A C5A C1C 128.0(13) . . ?
C2A C5A C1C 153.8(14) 6_565 . ?
C11A C5A C1C 19.5(9) 6_565 . ?
C2C C5A C15A 106.0(11) 6_565 6_565 ?
C1A C5A C15A 152.1(11) . 6_565 ?
C4A C5A C15A 64.9(10) . 6_565 ?
C2A C5A C15A 94.8(11) 6_565 6_565 ?
C11A C5A C15A 45.9(7) 6_565 6_565 ?
C1C C5A C15A 64.4(10) . 6_565 ?
C2C C5A C3C 145.2(12) 6_565 6_565 ?
C1A C5A C3C 114.8(10) . 6_565 ?
C4A C5A C3C 22.4(8) . 6_565 ?
C2A C5A C3C 52.3(9) 6_565 6_565 ?
C11A C5A C3C 88.3(8) 6_565 6_565 ?
C1C C5A C3C 106.0(10) . 6_565 ?
C15A C5A C3C 42.6(7) 6_565 6_565 ?
C10A C6A C9A 93.7(17) 6_565 6_565 ?
C10A C6A C1C 126.0(15) 6_565 . ?
C9A C6A C1C 138.7(16) 6_565 . ?
C10A C6A C2C 78.2(11) 6_565 6_565 ?
C9A C6A C2C 166.6(18) 6_565 6_565 ?
C1C C6A C2C 47.8(10) . 6_565 ?
C10A C6A C7A 115.7(17) 6_565 . ?
C9A C6A C7A 22.8(10) 6_565 . ?
C1C C6A C7A 115.9(14) . . ?
C2C C6A C7A 158.8(14) 6_565 . ?
C10A C6A C10A 9.4(10) 6_565 . ?
C9A C6A C10A 88.5(12) 6_565 . ?
C1C C6A C10A 128.9(11) . . ?
C2C C6A C10A 82.0(9) 6_565 . ?
C7A C6A C10A 109.5(12) . . ?
C10A C6A C7C 145.5(18) 6_565 6_565 ?
C9A C6A C7C 53.1(7) 6_565 6_565 ?
C1C C6A C7C 85.8(11) . 6_565 ?
C2C C6A C7C 132.2(13) 6_565 6_565 ?
C7A C6A C7C 30.4(9) . 6_565 ?
C10A C6A C7C 138.1(11) . 6_565 ?
C10A C6A C11A 128.0(13) 6_565 6_565 ?
C9A C6A C11A 136.4(13) 6_565 6_565 ?
C1C C6A C11A 2.3(11) . 6_565 ?
C2C C6A C11A 49.9(7) 6_565 6_565 ?
C7A C6A C11A 113.6(12) . 6_565 ?
C10A C6A C11A 130.6(9) . 6_565 ?
C7C C6A C11A 83.5(8) 6_565 6_565 ?
C9A C7A C7C 152(4) 6_565 6_565 ?
C9A C7A C6A 52(2) 6_565 . ?
C7C C7A C6A 101(2) 6_565 . ?
C9A C7A C18C 175(4) 6_565 . ?
C7C C7A C18C 23.4(13) 6_565 . ?
C6A C7A C18C 122.9(16) . . ?
C9A C7A C8A 57(2) 6_565 . ?
C7C C7A C8A 149(2) 6_565 . ?
C6A C7A C8A 103.9(11) . . ?
C18C C7A C8A 126.3(14) . . ?
C9A C7A C10A 31(2) 6_565 6_565 ?
C7C C7A C10A 123(2) 6_565 6_565 ?
C6A C7A C10A 22.3(8) . 6_565 ?
C18C C7A C10A 143.6(15) . 6_565 ?
C8A C7A C10A 82.0(9) . 6_565 ?
C9A C7A C37A 159(3) 6_565 6_565 ?
C7C C7A C37A 48.2(12) 6_565 6_565 ?
C6A C7A C37A 143.6(14) . 6_565 ?
C18C C7A C37A 24.8(8) . 6_565 ?
C8A C7A C37A 101.6(10) . 6_565 ?
C10A C7A C37A 157.4(13) 6_565 6_565 ?
C9A C8A C9A 90.3(12) . 6_565 ?
C9A C8A C19C 131.3(6) . . ?
C9A C8A C19C 131.3(6) 6_565 . ?
C9A C8A C7A 21.0(7) . 6_565 ?
C9A C8A C7A 109.4(10) 6_565 6_565 ?
C19C C8A C7A 110.4(8) . 6_565 ?
C9A C8A C7A 109.4(10) . . ?
C9A C8A C7A 21.0(7) 6_565 . ?
C19C C8A C7A 110.4(8) . . ?
C7A C8A C7A 126.7(13) 6_565 . ?
C7A C9A C6A 105(3) 6_565 6_565 ?
C7A C9A C8A 102(3) 6_565 . ?
C6A C9A C8A 139.9(17) 6_565 . ?
C7A C9A C10A 137(3) 6_565 . ?
C6A C9A C10A 33.5(10) 6_565 . ?
C8A C9A C10A 110.2(11) . . ?
C7A C9A C7C 17(3) 6_565 . ?
C6A C9A C7C 88.3(11) 6_565 . ?
C8A C9A C7C 118.7(10) . . ?
C10A C9A C7C 121.2(9) . . ?
C7A C9A C10A 150(4) 6_565 6_565 ?
C6A C9A C10A 52.8(9) 6_565 6_565 ?
C8A C9A C10A 90.3(10) . 6_565 ?
C10A C9A C10A 20.0(7) . 6_565 ?
C7C C9A C10A 137.6(10) . 6_565 ?
C7A C9A C9A 141(3) 6_565 6_565 ?
C6A C9A C9A 97.5(10) 6_565 6_565 ?
C8A C9A C9A 44.9(6) . 6_565 ?
C10A C9A C9A 65.6(6) . 6_565 ?
C7C C9A C9A 152.4(10) . 6_565 ?
C10A C9A C9A 45.6(6) 6_565 6_565 ?
C7A C9A C18C 4(3) 6_565 6_565 ?
C6A C9A C18C 101.5(13) 6_565 6_565 ?
C8A C9A C18C 104.5(9) . 6_565 ?
C10A C9A C18C 133.3(10) . 6_565 ?
C7C C9A C18C 14.4(8) . 6_565 ?
C10A C9A C18C 146.6(11) 6_565 6_565 ?
C9A C9A C18C 142.2(7) 6_565 6_565 ?
C10A C10A C6A 159.7(18) 6_565 6_565 ?
C10A C10A C2C 117.4(6) 6_565 . ?
C6A C10A C2C 69.0(12) 6_565 . ?
C10A C10A C9A 114.4(6) 6_565 . ?
C6A C10A C9A 52.9(12) 6_565 . ?
C2C C10A C9A 121.0(9) . . ?
C10A C10A C6A 10.9(9) 6_565 . ?
C6A C10A C6A 149(3) 6_565 . ?
C2C C10A C6A 119.5(10) . . ?
C9A C10A C6A 106.8(10) . . ?
C10A C10A C9A 45.6(6) 6_565 6_565 ?
C6A C10A C9A 119.1(15) 6_565 6_565 ?
C2C C10A C9A 151.2(11) . 6_565 ?
C9A C10A C9A 68.8(10) . 6_565 ?
C6A C10A C9A 38.8(8) . 6_565 ?
C10A C10A C2C 43.4(6) 6_565 6_565 ?
C6A C10A C2C 137.7(16) 6_565 6_565 ?
C2C C10A C2C 74.1(10) . 6_565 ?
C9A C10A C2C 147.9(12) . 6_565 ?
C6A C10A C2C 47.0(7) . 6_565 ?
C9A C10A C2C 85.4(10) 6_565 6_565 ?
C10A C10A C7A 123.2(7) 6_565 6_565 ?
C6A C10A C7A 42.1(12) 6_565 6_565 ?
C2C C10A C7A 109.4(9) . 6_565 ?
C9A C10A C7A 11.7(9) . 6_565 ?
C6A C10A C7A 114.4(12) . 6_565 ?
C9A C10A C7A 78.0(7) 6_565 6_565 ?
C2C C10A C7A 148.3(11) 6_565 6_565 ?
C10A C10A C1C 147.5(7) 6_565 6_565 ?
C6A C10A C1C 34.7(11) 6_565 6_565 ?
C2C C10A C1C 34.4(7) . 6_565 ?
C9A C10A C1C 86.9(8) . 6_565 ?
C6A C10A C1C 144.1(14) . 6_565 ?
C9A C10A C1C 145.2(12) 6_565 6_565 ?
C2C C10A C1C 106.0(8) 6_565 6_565 ?
C7A C10A C1C 75.6(9) 6_565 6_565 ?
C1C C11A C6C 121(3) 6_565 6_565 ?
C1C C11A C15A 151(4) 6_565 . ?
C6C C11A C15A 67.4(14) 6_565 . ?
C1C C11A C2C 40(2) 6_565 . ?
C6C C11A C2C 153.1(19) 6_565 . ?
C15A C11A C2C 118.9(10) . . ?
C1C C11A C12A 82(2) 6_565 . ?
C6C C11A C12A 42.2(12) 6_565 . ?
C15A C11A C12A 109.2(11) . . ?
C2C C11A C12A 121.2(9) . . ?
C1C C11A C5A 84(2) 6_565 6_565 ?
C6C C11A C5A 139.3(18) 6_565 6_565 ?
C15A C11A C5A 76.3(9) . 6_565 ?
C2C C11A C5A 43.7(7) . 6_565 ?
C12A C11A C5A 155.7(13) . 6_565 ?
C1C C11A C48A 153(5) 6_565 6_565 ?
C6C C11A C48A 45.4(12) 6_565 6_565 ?
C15A C11A C48A 22.0(8) . 6_565 ?
C2C C11A C48A 137.7(11) . 6_565 ?
C12A C11A C48A 87.4(9) . 6_565 ?
C5A C11A C48A 97.4(10) 6_565 6_565 ?
C1C C11A C6A 6(3) 6_565 6_565 ?
C6C C11A C6A 115.6(15) 6_565 6_565 ?
C15A C11A C6A 151.5(15) . 6_565 ?
C2C C11A C6A 45.5(6) . 6_565 ?
C12A C11A C6A 76.2(7) . 6_565 ?
C5A C11A C6A 88.1(8) 6_565 6_565 ?
C48A C11A C6A 149.2(13) 6_565 6_565 ?
C6C C12A C17C 103.5(19) 6_565 6_565 ?
C6C C12A C7C 154.0(18) 6_565 . ?
C17C C12A C7C 84.1(12) 6_565 . ?
C6C C12A C1C 64.8(15) 6_565 6_565 ?
C17C C12A C1C 156.3(18) 6_565 6_565 ?
C7C C12A C1C 98.6(11) . 6_565 ?
C6C C12A C13A 68.4(14) 6_565 . ?
C17C C12A C13A 36.0(11) 6_565 . ?
C7C C12A C13A 119.2(9) . . ?
C1C C12A C13A 131.3(14) 6_565 . ?
C6C C12A C11A 44.0(14) 6_565 . ?
C17C C12A C11A 145.3(15) 6_565 . ?
C7C C12A C11A 120.1(9) . . ?
C1C C12A C11A 21.7(10) 6_565 . ?
C13A C12A C11A 112.2(10) . . ?
C6C C12A C18C 153.3(17) 6_565 6_565 ?
C17C C12A C18C 60.8(11) 6_565 6_565 ?
C7C C12A C18C 23.3(8) . 6_565 ?
C1C C12A C18C 120.3(13) 6_565 6_565 ?
C13A C12A C18C 96.4(9) . 6_565 ?
C11A C12A C18C 141.0(10) . 6_565 ?
C17C C13A C28A 84.1(19) 6_565 6_565 ?
C17C C13A C6C 88.0(19) 6_565 6_565 ?
C28A C13A C6C 162.4(18) 6_565 6_565 ?
C17C C13A C12A 48.5(15) 6_565 . ?
C28A C13A C12A 132.2(15) 6_565 . ?
C6C C13A C12A 40.3(9) 6_565 . ?
C17C C13A C8C 78.5(17) 6_565 . ?
C28A C13A C8C 10.9(17) 6_565 . ?
C6C C13A C8C 151.6(17) 6_565 . ?
C12A C13A C8C 124.9(10) . . ?
C17C C13A C14A 148(2) 6_565 . ?
C28A C13A C14A 118.4(17) 6_565 . ?
C6C C13A C14A 63.8(11) 6_565 . ?
C12A C13A C14A 104.0(11) . . ?
C8C C13A C14A 119.3(14) . . ?
C17C C13A C27A 129.3(19) 6_565 6_565 ?
C28A C13A C27A 50.2(12) 6_565 6_565 ?
C6C C13A C27A 128.4(14) 6_565 6_565 ?
C12A C13A C27A 156.9(14) . 6_565 ?
C8C C13A C27A 52.5(10) . 6_565 ?
C14A C13A C27A 68.2(10) . 6_565 ?
C17C C13A C48A 130(2) 6_565 6_565 ?
C28A C13A C48A 136.3(17) 6_565 6_565 ?
C6C C13A C48A 44.3(10) 6_565 6_565 ?
C12A C13A C48A 84.5(10) . 6_565 ?
C8C C13A C48A 134.9(15) . 6_565 ?
C14A C13A C48A 19.5(8) . 6_565 ?
C27A C13A C48A 86.6(10) 6_565 6_565 ?
C48A C14A C49A 115(3) 6_565 6_565 ?
C48A C14A C13A 120(2) 6_565 . ?
C49A C14A C13A 119.9(19) 6_565 . ?
C48A C14A C11C 112(3) 6_565 . ?
C49A C14A C11C 6(2) 6_565 . ?
C13A C14A C11C 119.7(15) . . ?
C48A C14A C6C 65(2) 6_565 6_565 ?
C49A C14A C6C 159(2) 6_565 6_565 ?
C13A C14A C6C 55.4(10) . 6_565 ?
C11C C14A C6C 152.5(18) . 6_565 ?
C48A C14A C15A 13(2) 6_565 . ?
C49A C14A C15A 125(2) 6_565 . ?
C13A C14A C15A 107.3(12) . . ?
C11C C14A C15A 120.9(16) . . ?
C6C C14A C15A 52.2(10) 6_565 . ?
C48A C14A C27A 161(3) 6_565 6_565 ?
C49A C14A C27A 56.2(15) 6_565 6_565 ?
C13A C14A C27A 63.9(10) . 6_565 ?
C11C C14A C27A 57.1(11) . 6_565 ?
C6C C14A C27A 116.5(12) 6_565 6_565 ?
C15A C14A C27A 155.5(15) . 6_565 ?
C48A C15A C47A 89(2) 6_565 6_565 ?
C48A C15A C11A 119(2) 6_565 . ?
C47A C15A C11A 147.1(15) 6_565 . ?
C48A C15A C6C 75(2) 6_565 6_565 ?
C47A C15A C6C 156(2) 6_565 6_565 ?
C11A C15A C6C 43.7(11) . 6_565 ?
C48A C15A C3C 107(2) 6_565 . ?
C47A C15A C3C 18.3(11) 6_565 . ?
C11A C15A C3C 129.7(11) . . ?
C6C C15A C3C 159.7(18) 6_565 . ?
C48A C15A C14A 12.5(18) 6_565 . ?
C47A C15A C14A 99.2(14) 6_565 . ?
C11A C15A C14A 107.3(12) . . ?
C6C C15A C14A 63.7(12) 6_565 . ?
C3C C15A C14A 116.8(14) . . ?
C48A C15A C4A 134(2) 6_565 6_565 ?
C47A C15A C4A 45.7(10) 6_565 6_565 ?
C11A C15A C4A 102.5(9) . 6_565 ?
C6C C15A C4A 141.5(14) 6_565 6_565 ?
C3C C15A C4A 27.5(8) . 6_565 ?
C14A C15A C4A 141.6(14) . 6_565 ?
C48A C15A C5A 165(2) 6_565 6_565 ?
C47A C15A C5A 90.4(12) 6_565 6_565 ?
C11A C15A C5A 57.8(7) . 6_565 ?
C6C C15A C5A 99.6(13) 6_565 6_565 ?
C3C C15A C5A 72.3(9) . 6_565 ?
C14A C15A C5A 155.5(13) . 6_565 ?
C4A C15A C5A 44.9(6) 6_565 6_565 ?
C48A C15A C1C 122(2) 6_565 6_565 ?
C47A C15A C1C 139.9(15) 6_565 6_565 ?
C11A C15A C1C 8.1(11) . 6_565 ?
C6C C15A C1C 47.5(11) 6_565 6_565 ?
C3C C15A C1C 123.3(12) . 6_565 ?
C14A C15A C1C 110.1(12) . 6_565 ?
C4A C15A C1C 96.6(9) 6_565 6_565 ?
C5A C15A C1C 52.4(7) 6_565 6_565 ?
C46A C16A C47A 117(5) 6_565 6_565 ?
C46A C16A C3C 131(5) 6_565 . ?
C47A C16A C3C 18.7(11) 6_565 . ?
C46A C16A C17A 22(3) 6_565 . ?
C47A C16A C17A 108.4(17) 6_565 . ?
C3C C16A C17A 126.1(17) . . ?
C46A C16A C5C 72(3) 6_565 6_565 ?
C47A C16A C5C 140(2) 6_565 6_565 ?
C3C C16A C5C 126(2) . 6_565 ?
C17A C16A C5C 90.7(14) . 6_565 ?
C46A C16A C20A 86(3) 6_565 . ?
C47A C16A C20A 136(2) 6_565 . ?
C3C C16A C20A 119.0(18) . . ?
C17A C16A C20A 104.0(13) . . ?
C5C C16A C20A 14.6(12) 6_565 . ?
C46A C16A C50A 25(3) 6_565 6_565 ?
C47A C16A C50A 96.3(15) 6_565 6_565 ?
C3C C16A C50A 113.4(15) . 6_565 ?
C17A C16A C50A 13.6(11) . 6_565 ?
C5C C16A C50A 96.5(13) 6_565 6_565 ?
C20A C16A C50A 110.7(13) . 6_565 ?
C46A C16A C4A 138(5) 6_565 6_565 ?
C47A C16A C4A 37.3(10) 6_565 6_565 ?
C3C C16A C4A 18.8(9) . 6_565 ?
C17A C16A C4A 141.0(16) . 6_565 ?
C5C C16A C4A 108.3(15) 6_565 6_565 ?
C20A C16A C4A 100.4(14) . 6_565 ?
C50A C16A C4A 127.4(13) 6_565 6_565 ?
C50A C17A C46A 132(4) 6_565 6_565 ?
C50A C17A C18A 99(3) 6_565 . ?
C46A C17A C18A 101(2) 6_565 . ?
C50A C17A C16A 133(4) 6_565 . ?
C46A C17A C16A 10.0(17) 6_565 . ?
C18A C17A C16A 109.6(14) . . ?
C50A C17A C11C 23(3) 6_565 . ?
C46A C17A C11C 121(2) 6_565 . ?
C18A C17A C11C 122.5(18) . . ?
C16A C17A C11C 117.5(18) . . ?
C50A C17A C16C 47(3) 6_565 6_565 ?
C46A C17A C16C 132(2) 6_565 6_565 ?
C18A C17A C16C 52.2(10) . 6_565 ?
C16A C17A C16C 142.1(16) . 6_565 ?
C11C C17A C16C 70.3(15) . 6_565 ?
C50A C17A C49A 39(3) 6_565 6_565 ?
C46A C17A C49A 106(2) 6_565 6_565 ?
C18A C17A C49A 137.9(15) . 6_565 ?
C16A C17A C49A 101.6(15) . 6_565 ?
C11C C17A C49A 16.7(11) . 6_565 ?
C16C C17A C49A 85.8(12) 6_565 6_565 ?
C50A C17A C5C 135(4) 6_565 6_565 ?
C46A C17A C5C 37.3(14) 6_565 6_565 ?
C18A C17A C5C 64.1(10) . 6_565 ?
C16A C17A C5C 46.0(9) . 6_565 ?
C11C C17A C5C 142.0(17) . 6_565 ?
C16C C17A C5C 103.3(13) 6_565 6_565 ?
C49A C17A C5C 134.3(15) 6_565 6_565 ?
C24A C18A C19A 82.9(15) 6_565 . ?
C24A C18A C17A 134.1(16) 6_565 . ?
C19A C18A C17A 109.3(13) . . ?
C24A C18A C25A 61.0(12) 6_565 6_565 ?
C19A C18A C25A 21.8(11) . 6_565 ?
C17A C18A C25A 123.7(16) . 6_565 ?
C24A C18A C16C 66.7(13) 6_565 6_565 ?
C19A C18A C16C 139.4(17) . 6_565 ?
C17A C18A C16C 77.8(14) . 6_565 ?
C25A C18A C16C 121.5(15) 6_565 6_565 ?
C24A C18A C42A 41.3(10) 6_565 . ?
C19A C18A C42A 123.9(16) . . ?
C17A C18A C42A 114.4(15) . . ?
C25A C18A C42A 102.1(14) 6_565 . ?
C16C C18A C42A 37.0(9) 6_565 . ?
C24A C18A C50A 115.8(14) 6_565 6_565 ?
C19A C18A C50A 125.3(14) . 6_565 ?
C17A C18A C50A 22.3(10) . 6_565 ?
C25A C18A C50A 132.4(16) 6_565 6_565 ?
C16C C18A C50A 55.5(11) 6_565 6_565 ?
C42A C18A C50A 92.1(13) . 6_565 ?
C24A C18A C46A 129.2(13) 6_565 6_565 ?
C19A C18A C46A 77.3(11) . 6_565 ?
C17A C18A C46A 32.0(10) . 6_565 ?
C25A C18A C46A 92.6(13) 6_565 6_565 ?
C16C C18A C46A 101.0(13) 6_565 6_565 ?
C42A C18A C46A 136.6(13) . 6_565 ?
C50A C18A C46A 50.3(10) 6_565 6_565 ?
C24A C18A C5C 103.3(15) 6_565 6_565 ?
C19A C18A C5C 33.5(12) . 6_565 ?
C17A C18A C5C 76.0(12) . 6_565 ?
C25A C18A C5C 49.6(12) 6_565 6_565 ?
C16C C18A C5C 127.9(13) 6_565 6_565 ?
C42A C18A C5C 140.9(14) . 6_565 ?
C50A C18A C5C 92.2(12) 6_565 6_565 ?
C46A C18A C5C 44.0(8) 6_565 6_565 ?
C25A C19A C5C 128(6) 6_565 6_565 ?
C25A C19A C18A 86(4) 6_565 . ?
C5C C19A C18A 103(2) 6_565 . ?
C25A C19A C20A 136(6) 6_565 . ?
C5C C19A C20A 10(2) 6_565 . ?
C18A C19A C20A 107.4(14) . . ?
C25A C19A C21A 41(3) 6_565 . ?
C5C C19A C21A 116(2) 6_565 . ?
C18A C19A C21A 125.5(14) . . ?
C20A C19A C21A 118.0(17) . . ?
C25A C19A C24A 41(3) 6_565 6_565 ?
C5C C19A C24A 125(2) 6_565 6_565 ?
C18A C19A C24A 44.5(10) . 6_565 ?
C20A C19A C24A 134.4(16) . 6_565 ?
C21A C19A C24A 81.5(11) . 6_565 ?
C5C C20A C4C 112(7) 6_565 . ?
C5C C20A C19A 29(6) 6_565 . ?
C4C C20A C19A 118(2) . . ?
C5C C20A C16A 97(6) 6_565 . ?
C4C C20A C16A 125(2) . . ?
C19A C20A C16A 109.7(14) . . ?
C5C C20A C46A 78(6) 6_565 6_565 ?
C4C C20A C46A 137(2) . 6_565 ?
C19A C20A C46A 91.2(13) . 6_565 ?
C16A C20A C46A 19.0(10) . 6_565 ?
C5C C20A C25A 20(5) 6_565 6_565 ?
C4C C20A C25A 110.4(18) . 6_565 ?
C19A C20A C25A 11.5(15) . 6_565 ?
C16A C20A C25A 111.6(14) . 6_565 ?
C46A C20A C25A 92.7(14) 6_565 6_565 ?
C25A C21A C25A 127(2) 6_565 . ?
C25A C21A C22A 103.1(10) 6_565 . ?
C25A C21A C22A 103.1(10) . . ?
C25A C21A C19A 15.2(11) 6_565 . ?
C25A C21A C19A 119.7(14) . . ?
C22A C21A C19A 118.2(8) . . ?
C25A C21A C19A 119.8(14) 6_565 6_565 ?
C25A C21A C19A 15.2(11) . 6_565 ?
C22A C21A C19A 118.2(8) . 6_565 ?
C19A C21A C19A 109.7(17) . 6_565 ?
C23A C22A C23A 104(2) 6_565 . ?
C23A C22A C21A 115.8(11) 6_565 . ?
C23A C22A C21A 115.8(10) . . ?
C23A C22A C43A 116.4(14) 6_565 6_565 ?
C23A C22A C43A 12.4(12) . 6_565 ?
C21A C22A C43A 109.2(7) . 6_565 ?
C23A C22A C43A 12.4(11) 6_565 . ?
C23A C22A C43A 116.4(14) . . ?
C21A C22A C43A 109.2(7) . . ?
C43A C22A C43A 128.6(14) 6_565 . ?
C43A C23A C22A 145(3) 6_565 . ?
C43A C23A C13C 85(3) 6_565 . ?
C22A C23A C13C 128(2) . . ?
C43A C23A C44A 64(2) 6_565 6_565 ?
C22A C23A C44A 147(2) . 6_565 ?
C13C C23A C44A 21.4(13) . 6_565 ?
C43A C23A C24A 57(2) 6_565 . ?
C22A C23A C24A 102.9(13) . . ?
C13C C23A C24A 122.5(15) . . ?
C44A C23A C24A 108.9(16) 6_565 . ?
C43A C23A C23A 174(3) 6_565 6_565 ?
C22A C23A C23A 37.9(11) . 6_565 ?
C13C C23A C23A 91.3(12) . 6_565 ?
C44A C23A C23A 111.9(11) 6_565 6_565 ?
C24A C23A C23A 129.1(9) . 6_565 ?
C43A C23A C42A 27(2) 6_565 6_565 ?
C22A C23A C42A 131.0(14) . 6_565 ?
C13C C23A C42A 99.5(14) . 6_565 ?
C44A C23A C42A 81.6(13) 6_565 6_565 ?
C24A C23A C42A 30.2(7) . 6_565 ?
C23A C23A C42A 158.1(6) 6_565 6_565 ?
C42A C24A C18A 86.6(17) 6_565 6_565 ?
C42A C24A C43A 74.8(14) 6_565 6_565 ?
C18A C24A C43A 160.4(19) 6_565 6_565 ?
C42A C24A C25A 153.4(19) 6_565 . ?
C18A C24A C25A 67.7(14) 6_565 . ?
C43A C24A C25A 129.7(16) 6_565 . ?
C42A C24A C16C 39.7(11) 6_565 . ?
C18A C24A C16C 64.2(13) 6_565 . ?
C43A C24A C16C 103.0(15) 6_565 . ?
C25A C24A C16C 125.1(15) . . ?
C42A C24A C23A 100.5(16) 6_565 . ?
C18A C24A C23A 172.9(17) 6_565 . ?
C43A C24A C23A 26.3(11) 6_565 . ?
C25A C24A C23A 105.2(13) . . ?
C16C C24A C23A 122.0(14) . . ?
C42A C24A C19A 138.8(17) 6_565 6_565 ?
C18A C24A C19A 52.7(11) 6_565 6_565 ?
C43A C24A C19A 144.5(17) 6_565 6_565 ?
C25A C24A C19A 15.0(12) . 6_565 ?
C16C C24A C19A 111.8(13) . 6_565 ?
C23A C24A C19A 120.2(14) . 6_565 ?
C19A C25A C21A 124(4) 6_565 . ?
C19A C25A C24A 124(4) 6_565 . ?
C21A C25A C24A 111.4(14) . . ?
C19A C25A C18A 73(4) 6_565 6_565 ?
C21A C25A C18A 161(2) . 6_565 ?
C24A C25A C18A 51.3(11) . 6_565 ?
C19A C25A C5C 36(5) 6_565 . ?
C21A C25A C5C 116(2) . . ?
C24A C25A C5C 124.1(16) . . ?
C18A C25A C5C 83.5(15) 6_565 . ?
C19A C25A C20A 32(4) 6_565 6_565 ?
C21A C25A C20A 113.5(18) . 6_565 ?
C24A C25A C20A 128.5(17) . 6_565 ?
C18A C25A C20A 85.7(13) 6_565 6_565 ?
C5C C25A C20A 5.2(15) . 6_565 ?
C9C C26A C10C 114(3) 6_565 6_565 ?
C9C C26A C15C 157(3) 6_565 . ?
C10C C26A C15C 69.6(17) 6_565 . ?
C9C C26A C27A 56.5(18) 6_565 . ?
C10C C26A C27A 58.0(14) 6_565 . ?
C15C C26A C27A 124.1(18) . . ?
C9C C26A C30A 48.8(17) 6_565 . ?
C10C C26A C30A 161.8(19) 6_565 . ?
C15C C26A C30A 122.7(19) . . ?
C27A C26A C30A 105.2(12) . . ?
C9C C26A C41A 157(3) 6_565 6_565 ?
C10C C26A C41A 58.3(13) 6_565 6_565 ?
C15C C26A C41A 11.3(15) . 6_565 ?
C27A C26A C41A 113.4(14) . 6_565 ?
C30A C26A C41A 133.5(15) . 6_565 ?
C9C C26A C59A 67.0(19) 6_565 6_565 ?
C10C C26A C59A 162.4(19) 6_565 6_565 ?
C15C C26A C59A 102.3(18) . 6_565 ?
C27A C26A C59A 121.7(13) . 6_565 ?
C30A C26A C59A 20.4(10) . 6_565 ?
C41A C26A C59A 113.0(14) 6_565 6_565 ?
C9C C27A C10C 79.0(15) 6_565 6_565 ?
C9C C27A C28A 79.5(14) 6_565 . ?
C10C C27A C28A 155.3(14) 6_565 . ?
C9C C27A C8C 63.4(14) 6_565 6_565 ?
C10C C27A C8C 139.0(16) 6_565 6_565 ?
C28A C27A C8C 16.7(11) . 6_565 ?
C9C C27A C26A 33.8(11) 6_565 . ?
C10C C27A C26A 45.3(10) 6_565 . ?
C28A C27A C26A 112.9(12) . . ?
C8C C27A C26A 96.4(13) 6_565 . ?
C9C C27A C49A 149.2(16) 6_565 . ?
C10C C27A C49A 79.1(13) 6_565 . ?
C28A C27A C49A 115.3(14) . . ?
C8C C27A C49A 126.8(15) 6_565 . ?
C26A C27A C49A 121.7(13) . . ?
C9C C27A C11C 131.6(17) 6_565 6_565 ?
C10C C27A C11C 57.4(12) 6_565 6_565 ?
C28A C27A C11C 135.1(15) . 6_565 ?
C8C C27A C11C 142.8(15) 6_565 6_565 ?
C26A C27A C11C 100.7(14) . 6_565 ?
C49A C27A C11C 21.7(10) . 6_565 ?
C9C C27A C13A 113.7(14) 6_565 6_565 ?
C10C C27A C13A 149.7(13) 6_565 6_565 ?
C28A C27A C13A 38.1(9) . 6_565 ?
C8C C27A C13A 51.7(9) 6_565 6_565 ?
C26A C27A C13A 142.5(11) . 6_565 ?
C49A C27A C13A 77.3(11) . 6_565 ?
C11C C27A C13A 97.8(12) 6_565 6_565 ?
C9C C27A C14A 150.6(15) 6_565 6_565 ?
C10C C27A C14A 107.7(13) 6_565 6_565 ?
C28A C27A C14A 85.9(11) . 6_565 ?
C8C C27A C14A 98.7(12) 6_565 6_565 ?
C26A C27A C14A 144.7(12) . 6_565 ?
C49A C27A C14A 29.5(9) . 6_565 ?
C11C C27A C14A 50.7(11) 6_565 6_565 ?
C13A C27A C14A 47.9(8) 6_565 6_565 ?
C8C C28A C13A 139(6) 6_565 6_565 ?
C8C C28A C17C 112(4) 6_565 . ?
C13A C28A C17C 39.4(11) 6_565 . ?
C8C C28A C27A 94(4) 6_565 . ?
C13A C28A C27A 91.7(15) 6_565 . ?
C17C C28A C27A 127.1(16) . . ?
C8C C28A C29A 18(5) 6_565 . ?
C13A C28A C29A 148.7(18) 6_565 . ?
C17C C28A C29A 112.6(14) . . ?
C27A C28A C29A 105.0(11) . . ?
C8C C28A C9C 51(4) 6_565 6_565 ?
C13A C28A C9C 131.1(18) 6_565 6_565 ?
C17C C28A C9C 146.1(16) . 6_565 ?
C27A C28A C9C 44.9(9) . 6_565 ?
C29A C28A C9C 60.2(10) . 6_565 ?
C8C C28A C38A 43(4) 6_565 6_565 ?
C13A C28A C38A 113.4(17) 6_565 6_565 ?
C17C C28A C38A 75.0(12) . 6_565 ?
C27A C28A C38A 135.6(12) . 6_565 ?
C29A C28A C38A 37.8(8) . 6_565 ?
C9C C28A C38A 94.0(11) 6_565 6_565 ?
C38A C29A C31A 43.2(11) 6_565 . ?
C38A C29A C8C 82.7(14) 6_565 6_565 ?
C31A C29A C8C 125.9(17) . 6_565 ?
C38A C29A C30A 148.8(16) 6_565 . ?
C31A C29A C30A 125.2(15) . . ?
C8C C29A C30A 100.6(15) 6_565 . ?
C38A C29A C28A 81.8(13) 6_565 . ?
C31A C29A C28A 124.6(15) . . ?
C8C C29A C28A 6.3(19) 6_565 . ?
C30A C29A C28A 104.6(10) . . ?
C38A C29A C9C 134.2(13) 6_565 6_565 ?
C31A C29A C9C 158.2(14) . 6_565 ?
C8C C29A C9C 58.9(13) 6_565 6_565 ?
C30A C29A C9C 41.9(9) . 6_565 ?
C28A C29A C9C 62.7(9) . 6_565 ?
C38A C29A C39A 56.8(10) 6_565 6_565 ?
C31A C29A C39A 22.7(11) . 6_565 ?
C8C C29A C39A 133.9(15) 6_565 6_565 ?
C30A C29A C39A 103.9(11) . 6_565 ?
C28A C29A C39A 135.5(11) . 6_565 ?
C9C C29A C39A 136.4(12) 6_565 6_565 ?
C38A C29A C59A 135.3(14) 6_565 6_565 ?
C31A C29A C59A 110.5(13) . 6_565 ?
C8C C29A C59A 109.9(17) 6_565 6_565 ?
C30A C29A C59A 15.5(10) . 6_565 ?
C28A C29A C59A 114.9(11) . 6_565 ?
C9C C29A C59A 53.8(10) 6_565 6_565 ?
C39A C29A C59A 88.7(10) 6_565 6_565 ?
C38A C29A C60A 96.9(12) 6_565 6_565 ?
C31A C29A C60A 63.3(11) . 6_565 ?
C8C C29A C60A 143.2(18) 6_565 6_565 ?
C30A C29A C60A 62.0(10) . 6_565 ?
C28A C29A C60A 149.4(10) . 6_565 ?
C9C C29A C60A 99.9(11) 6_565 6_565 ?
C39A C29A C60A 42.2(7) 6_565 6_565 ?
C59A C29A C60A 47.3(8) 6_565 6_565 ?
C59A C30A C9C 132(4) 6_565 6_565 ?
C59A C30A C29A 127(3) 6_565 . ?
C9C C30A C29A 79.5(16) 6_565 . ?
C59A C30A C26A 105(3) 6_565 . ?
C9C C30A C26A 32.8(13) 6_565 . ?
C29A C30A C26A 112.0(12) . . ?
C59A C30A C51A 20(3) 6_565 . ?
C9C C30A C51A 150.4(18) 6_565 . ?
C29A C30A C51A 113.6(12) . . ?
C26A C30A C51A 124.3(13) . . ?
C59A C30A C60A 55(3) 6_565 6_565 ?
C9C C30A C60A 142(2) 6_565 6_565 ?
C29A C30A C60A 73.9(11) . 6_565 ?
C26A C30A C60A 148.4(15) . 6_565 ?
C51A C30A C60A 39.7(8) . 6_565 ?
C59A C30A C58A 22(3) 6_565 6_565 ?
C9C C30A C58A 111.3(16) 6_565 6_565 ?
C29A C30A C58A 139.0(14) . 6_565 ?
C26A C30A C58A 83.1(11) . 6_565 ?
C51A C30A C58A 41.3(7) . 6_565 ?
C60A C30A C58A 74.8(9) 6_565 6_565 ?
C59A C30A C8C 141(4) 6_565 6_565 ?
C9C C30A C8C 44.5(14) 6_565 6_565 ?
C29A C30A C8C 35.3(8) . 6_565 ?
C26A C30A C8C 76.6(11) . 6_565 ?
C51A C30A C8C 139.7(14) . 6_565 ?
C60A C30A C8C 103.4(12) 6_565 6_565 ?
C58A C30A C8C 134.9(12) 6_565 6_565 ?
C39A C31A C38A 127(3) 6_565 6_565 ?
C39A C31A C29A 126(3) 6_565 . ?
C38A C31A C29A 64.2(18) 6_565 . ?
C39A C31A C32A 89.5(18) 6_565 . ?
C38A C31A C32A 55.5(18) 6_565 . ?
C29A C31A C32A 119.5(14) . . ?
C39A C31A C35A 16.8(14) 6_565 . ?
C38A C31A C35A 141(2) 6_565 . ?
C29A C31A C35A 118.8(15) . . ?
C32A C31A C35A 105.6(10) . . ?
C39A C31A C60A 49.2(17) 6_565 6_565 ?
C38A C31A C60A 125(2) 6_565 6_565 ?
C29A C31A C60A 80.1(13) . 6_565 ?
C32A C31A C60A 131.4(12) . 6_565 ?
C35A C31A C60A 38.7(8) . 6_565 ?
C39A C31A C37A 95.5(17) 6_565 6_565 ?
C38A C31A C37A 46.6(16) 6_565 6_565 ?
C29A C31A C37A 110.6(12) . 6_565 ?
C32A C31A C37A 8.9(9) . 6_565 ?
C35A C31A C37A 112.0(10) . 6_565 ?
C60A C31A C37A 133.0(12) 6_565 6_565 ?
C39A C31A C40A 32.9(13) 6_565 6_565 ?
C38A C31A C40A 105.0(19) 6_565 6_565 ?
C29A C31A C40A 145.3(14) . 6_565 ?
C32A C31A C40A 57.3(9) . 6_565 ?
C35A C31A C40A 48.4(7) . 6_565 ?
C60A C31A C40A 81.1(8) 6_565 6_565 ?
C37A C31A C40A 64.2(7) 6_565 6_565 ?
C37A C32A C36A 110(5) 6_565 6_565 ?
C37A C32A C38A 90(4) 6_565 6_565 ?
C36A C32A C38A 144(2) 6_565 6_565 ?
C37A C32A C18C 5(6) 6_565 . ?
C36A C32A C18C 113.1(19) 6_565 . ?
C38A C32A C18C 89.1(16) 6_565 . ?
C37A C32A C33A 116(5) 6_565 . ?
C36A C32A C33A 12.9(16) 6_565 . ?
C38A C32A C33A 131.3(16) 6_565 . ?
C18C C32A C33A 120.2(17) . . ?
C37A C32A C31A 123(5) 6_565 . ?
C36A C32A C31A 118.7(16) 6_565 . ?
C38A C32A C31A 32.6(9) 6_565 . ?
C18C C32A C31A 121.7(15) . . ?
C33A C32A C31A 107.0(11) . . ?
C37A C32A C40A 138(6) 6_565 6_565 ?
C36A C32A C40A 41.1(11) 6_565 6_565 ?
C38A C32A C40A 104.5(15) 6_565 6_565 ?
C18C C32A C40A 142.4(17) . 6_565 ?
C33A C32A C40A 29.3(9) . 6_565 ?
C31A C32A C40A 77.8(10) . 6_565 ?
C37A C32A C39A 139(6) 6_565 6_565 ?
C36A C32A C39A 89.8(14) 6_565 6_565 ?
C38A C32A C39A 57.3(11) 6_565 6_565 ?
C18C C32A C39A 140.1(17) . 6_565 ?
C33A C32A C39A 77.8(10) . 6_565 ?
C31A C32A C39A 29.4(8) . 6_565 ?
C40A C32A C39A 48.7(8) 6_565 6_565 ?
C37A C32A C7C 8(4) 6_565 6_565 ?
C36A C32A C7C 102.7(15) 6_565 6_565 ?
C38A C32A C7C 97.7(13) 6_565 6_565 ?
C18C C32A C7C 10.4(9) . 6_565 ?
C33A C32A C7C 109.8(13) . 6_565 ?
C31A C32A C7C 130.1(13) . 6_565 ?
C40A C32A C7C 133.4(13) 6_565 6_565 ?
C39A C32A C7C 143.5(15) 6_565 6_565 ?
C36A C33A C40A 135(5) 6_565 6_565 ?
C36A C33A C19C 94(4) 6_565 . ?
C40A C33A C19C 131(2) 6_565 . ?
C36A C33A C34A 135(5) 6_565 . ?
C40A C33A C34A 12.1(13) 6_565 . ?
C19C C33A C34A 129.2(16) . . ?
C36A C33A C32A 41(4) 6_565 . ?
C40A C33A C32A 100.3(18) 6_565 . ?
C19C C33A C32A 123.9(15) . . ?
C34A C33A C32A 105.6(12) . . ?
C36A C33A C37A 37(4) 6_565 6_565 ?
C40A C33A C37A 108.5(19) 6_565 6_565 ?
C19C C33A C37A 113.8(14) . 6_565 ?
C34A C33A C37A 114.9(13) . 6_565 ?
C32A C33A C37A 10.2(10) . 6_565 ?
C36A C33A C39A 97(4) 6_565 6_565 ?
C40A C33A C39A 42.4(13) 6_565 6_565 ?
C19C C33A C39A 155.8(18) . 6_565 ?
C34A C33A C39A 50.0(8) . 6_565 ?
C32A C33A C39A 58.2(9) . 6_565 ?
C37A C33A C39A 66.1(8) 6_565 6_565 ?
C40A C34A C21C 105(2) 6_565 . ?
C40A C34A C33A 21(2) 6_565 . ?
C21C C34A C33A 107.6(14) . . ?
C40A C34A C35A 98(3) 6_565 . ?
C21C C34A C35A 110.6(12) . . ?
C33A C34A C35A 115.2(11) . . ?
C40A C34A C39A 73(2) 6_565 6_565 ?
C21C C34A C39A 130.5(13) . 6_565 ?
C33A C34A C39A 86.6(11) . 6_565 ?
C35A C34A C39A 29.6(8) . 6_565 ?
C40A C34A C36A 24(2) 6_565 6_565 ?
C21C C34A C36A 117.2(11) . 6_565 ?
C33A C34A C36A 9.6(12) . 6_565 ?
C35A C34A C36A 110.3(10) . 6_565 ?
C39A C34A C36A 80.9(9) 6_565 6_565 ?
C39A C35A C52A 133(2) 6_565 . ?
C39A C35A C60A 89.8(19) 6_565 6_565 ?
C52A C35A C60A 44.2(13) . 6_565 ?
C39A C35A C34A 84.0(19) 6_565 . ?
C52A C35A C34A 131.6(15) . . ?
C60A C35A C34A 153.8(17) 6_565 . ?
C39A C35A C40A 67.3(18) 6_565 6_565 ?
C52A C35A C40A 137.7(16) . 6_565 ?
C60A C35A C40A 138.5(15) 6_565 6_565 ?
C34A C35A C40A 19.4(6) . 6_565 ?
C39A C35A C31A 18.9(16) 6_565 . ?
C52A C35A C31A 123.6(13) . . ?
C60A C35A C31A 79.7(14) 6_565 . ?
C34A C35A C31A 100.2(11) . . ?
C40A C35A C31A 85.0(9) 6_565 . ?
C39A C35A C56A 134(2) 6_565 6_565 ?
C52A C35A C56A 21.3(11) . 6_565 ?
C60A C35A C56A 56.5(13) 6_565 6_565 ?
C34A C35A C56A 112.1(11) . 6_565 ?
C40A C35A C56A 116.4(11) 6_565 6_565 ?
C31A C35A C56A 133.4(12) . 6_565 ?
C33A C36A C32A 126(6) 6_565 6_565 ?
C33A C36A C40A 31(4) 6_565 . ?
C32A C36A C40A 100.1(17) 6_565 . ?
C33A C36A C37A 132(5) 6_565 . ?
C32A C36A C37A 13.2(13) 6_565 . ?
C40A C36A C37A 110.3(13) . . ?
C33A C36A C19C 71(4) 6_565 . ?
C32A C36A C19C 141.6(18) 6_565 . ?
C40A C36A C19C 102.1(15) . . ?
C37A C36A C19C 128.8(10) . . ?
C33A C36A C34A 36(4) 6_565 6_565 ?
C32A C36A C34A 102.4(16) 6_565 6_565 ?
C40A C36A C34A 10.4(9) . 6_565 ?
C37A C36A C34A 113.9(12) . 6_565 ?
C19C C36A C34A 105.1(12) . 6_565 ?
C33A C36A C18C 139(6) 6_565 6_565 ?
C32A C36A C18C 35.3(11) 6_565 6_565 ?
C40A C36A C18C 127.6(14) . 6_565 ?
C37A C36A C18C 22.1(7) . 6_565 ?
C19C C36A C18C 107.7(10) . 6_565 ?
C34A C36A C18C 133.5(13) 6_565 6_565 ?
C32A C37A C18C 174(7) 6_565 6_565 ?
C32A C37A C38A 76(4) 6_565 . ?
C18C C37A C38A 102.7(14) 6_565 . ?
C32A C37A C36A 57(4) 6_565 . ?
C18C C37A C36A 127.3(15) 6_565 . ?
C38A C37A C36A 124.5(11) . . ?
C32A C37A C7C 171(4) 6_565 . ?
C18C C37A C7C 12.9(12) 6_565 . ?
C38A C37A C7C 113.2(8) . . ?
C36A C37A C7C 114.5(8) . . ?
C32A C37A C33A 53(4) 6_565 6_565 ?
C18C C37A C33A 131.6(18) 6_565 6_565 ?
C38A C37A C33A 115.3(13) . 6_565 ?
C36A C37A C33A 10.5(14) . 6_565 ?
C7C C37A C33A 118.7(11) . 6_565 ?
C32A C37A C31A 48(4) 6_565 6_565 ?
C18C C37A C31A 130.1(16) 6_565 6_565 ?
C38A C37A C31A 27.4(8) . 6_565 ?
C36A C37A C31A 99.3(10) . 6_565 ?
C7C C37A C31A 140.4(10) . 6_565 ?
C33A C37A C31A 91.6(11) 6_565 6_565 ?
C32A C37A C7A 146(4) 6_565 6_565 ?
C18C C37A C7A 38.4(12) 6_565 6_565 ?
C38A C37A C7A 134.6(10) . 6_565 ?
C36A C37A C7A 88.9(8) . 6_565 ?
C7C C37A C7A 25.6(6) . 6_565 ?
C33A C37A C7A 93.5(10) 6_565 6_565 ?
C31A C37A C7A 157.5(13) 6_565 6_565 ?
C32A C37A C39A 35(5) 6_565 . ?
C18C C37A C39A 146.4(18) 6_565 . ?
C38A C37A C39A 49.0(7) . . ?
C36A C37A C39A 75.6(8) . . ?
C7C C37A C39A 150.2(14) . . ?
C33A C37A C39A 67.0(10) 6_565 . ?
C31A C37A C39A 25.3(7) 6_565 . ?
C7A C37A C39A 146.6(12) 6_565 . ?
C32A C37A C17C 138(4) 6_565 6_565 ?
C18C C37A C17C 40.0(12) 6_565 6_565 ?
C38A C37A C17C 62.7(8) . 6_565 ?
C36A C37A C17C 157.6(10) . 6_565 ?
C7C C37A C17C 51.1(6) . 6_565 ?
C33A C37A C17C 152.4(17) 6_565 6_565 ?
C31A C37A C17C 90.1(9) 6_565 6_565 ?
C7A C37A C17C 75.4(8) 6_565 6_565 ?
C39A C37A C17C 109.0(8) . 6_565 ?
C31A C38A C29A 72.7(19) 6_565 6_565 ?
C31A C38A C32A 92(2) 6_565 6_565 ?
C29A C38A C32A 163.8(18) 6_565 6_565 ?
C31A C38A C37A 106(2) 6_565 . ?
C29A C38A C37A 174.0(16) 6_565 . ?
C32A C38A C37A 14.1(11) 6_565 . ?
C31A C38A C8C 123(2) 6_565 . ?
C29A C38A C8C 50.4(11) 6_565 . ?
C32A C38A C8C 144.8(15) 6_565 . ?
C37A C38A C8C 130.7(11) . . ?
C31A C38A C39A 27.1(15) 6_565 . ?
C29A C38A C39A 86.1(13) 6_565 . ?
C32A C38A C39A 77.8(12) 6_565 . ?
C37A C38A C39A 90.3(9) . . ?
C8C C38A C39A 131.5(13) . . ?
C31A C38A C28A 133(2) 6_565 6_565 ?
C29A C38A C28A 60.4(11) 6_565 6_565 ?
C32A C38A C28A 135.4(15) 6_565 6_565 ?
C37A C38A C28A 121.5(10) . 6_565 ?
C8C C38A C28A 11.2(10) . 6_565 ?
C39A C38A C28A 142.7(12) . 6_565 ?
C31A C38A C18C 138(2) 6_565 6_565 ?
C29A C38A C18C 149.3(15) 6_565 6_565 ?
C32A C38A C18C 45.9(11) 6_565 6_565 ?
C37A C38A C18C 31.8(8) . 6_565 ?
C8C C38A C18C 99.1(11) . 6_565 ?
C39A C38A C18C 119.9(12) . 6_565 ?
C28A C38A C18C 89.6(10) 6_565 6_565 ?
C31A C38A C17C 174(2) 6_565 6_565 ?
C29A C38A C17C 101.9(13) 6_565 6_565 ?
C32A C38A C17C 93.7(13) 6_565 6_565 ?
C37A C38A C17C 79.7(9) . 6_565 ?
C8C C38A C17C 51.5(9) . 6_565 ?
C39A C38A C17C 157.0(11) . 6_565 ?
C28A C38A C17C 41.8(7) 6_565 6_565 ?
C18C C38A C17C 47.8(8) 6_565 6_565 ?
C31A C39A C35A 144(3) 6_565 6_565 ?
C31A C39A C40A 128.6(19) 6_565 . ?
C35A C39A C40A 84.1(18) 6_565 . ?
C31A C39A C60A 102(2) 6_565 . ?
C35A C39A C60A 55.2(17) 6_565 . ?
C40A C39A C60A 127.3(12) . . ?
C31A C39A C38A 26.0(14) 6_565 . ?
C35A C39A C38A 163(2) 6_565 . ?
C40A C39A C38A 111.6(9) . . ?
C60A C39A C38A 108.2(14) . . ?
C31A C39A C32A 61.1(15) 6_565 6_565 ?
C35A C39A C32A 152(2) 6_565 6_565 ?
C40A C39A C32A 68.3(8) . 6_565 ?
C60A C39A C32A 148.6(17) . 6_565 ?
C38A C39A C32A 44.9(8) . 6_565 ?
C31A C39A C34A 141(2) 6_565 6_565 ?
C35A C39A C34A 66.3(16) 6_565 6_565 ?
C40A C39A C34A 20.2(8) . 6_565 ?
C60A C39A C34A 116.7(12) . 6_565 ?
C38A C39A C34A 130.2(11) . 6_565 ?
C32A C39A C34A 85.5(11) 6_565 6_565 ?
C31A C39A C29A 31.2(18) 6_565 6_565 ?
C35A C39A C29A 126(2) 6_565 6_565 ?
C40A C39A C29A 146.7(10) . 6_565 ?
C60A C39A C29A 73.3(11) . 6_565 ?
C38A C39A C29A 37.1(8) . 6_565 ?
C32A C39A C29A 82.0(9) 6_565 6_565 ?
C34A C39A C29A 166.7(12) 6_565 6_565 ?
C31A C39A C52A 128(2) 6_565 6_565 ?
C35A C39A C52A 27.8(17) 6_565 6_565 ?
C40A C39A C52A 103.7(10) . 6_565 ?
C60A C39A C52A 28.0(8) . 6_565 ?
C38A C39A C52A 136.0(13) . 6_565 ?
C32A C39A C52A 164.0(13) 6_565 6_565 ?
C34A C39A C52A 89.7(9) 6_565 6_565 ?
C29A C39A C52A 101.1(11) 6_565 6_565 ?
C31A C39A C37A 59.2(15) 6_565 . ?
C35A C39A C37A 155(2) 6_565 . ?
C40A C39A C37A 71.4(5) . . ?
C60A C39A C37A 142.7(16) . . ?
C38A C39A C37A 40.7(6) . . ?
C32A C39A C37A 6.0(10) 6_565 . ?
C34A C39A C37A 89.5(9) 6_565 . ?
C29A C39A C37A 77.7(7) 6_565 . ?
C52A C39A C37A 160.1(14) 6_565 . ?
C31A C39A C33A 104.9(18) 6_565 6_565 ?
C35A C39A C33A 108.5(19) 6_565 6_565 ?
C40A C39A C33A 24.5(7) . 6_565 ?
C60A C39A C33A 144.4(15) . 6_565 ?
C38A C39A C33A 87.2(9) . 6_565 ?
C32A C39A C33A 44.0(7) 6_565 6_565 ?
C34A C39A C33A 43.4(8) 6_565 6_565 ?
C29A C39A C33A 123.4(10) 6_565 6_565 ?
C52A C39A C33A 126.3(11) 6_565 6_565 ?
C37A C39A C33A 46.9(7) . 6_565 ?
C34A C40A C33A 147(4) 6_565 6_565 ?
C34A C40A C36A 145(3) 6_565 . ?
C33A C40A C36A 13.1(17) 6_565 . ?
C34A C40A C39A 87(3) 6_565 . ?
C33A C40A C39A 113.1(16) 6_565 . ?
C36A C40A C39A 101.8(10) . . ?
C34A C40A C35A 62(2) 6_565 6_565 ?
C33A C40A C35A 141.7(18) 6_565 6_565 ?
C36A C40A C35A 130.2(12) . 6_565 ?
C39A C40A C35A 28.7(7) . 6_565 ?
C34A C40A C32A 137(3) 6_565 6_565 ?
C33A C40A C32A 50.4(13) 6_565 6_565 ?
C36A C40A C32A 38.8(10) . 6_565 ?
C39A C40A C32A 63.0(8) . 6_565 ?
C35A C40A C32A 91.6(9) 6_565 6_565 ?
C34A C40A C21C 57.0(18) 6_565 . ?
C33A C40A C21C 123(2) 6_565 . ?
C36A C40A C21C 136.0(15) . . ?
C39A C40A C21C 119.7(9) . . ?
C35A C40A C21C 92.7(9) 6_565 . ?
C32A C40A C21C 165.5(13) 6_565 . ?
C34A C40A C31A 101(3) 6_565 6_565 ?
C33A C40A C31A 95.3(15) 6_565 6_565 ?
C36A C40A C31A 83.6(10) . 6_565 ?
C39A C40A C31A 18.4(7) . 6_565 ?
C35A C40A C31A 46.6(7) 6_565 6_565 ?
C32A C40A C31A 44.9(6) 6_565 6_565 ?
C21C C40A C31A 138.0(10) . 6_565 ?
C15C C41A C16C 153(7) 6_565 6_565 ?
C15C C41A C42A 156(6) 6_565 . ?
C16C C41A C42A 42.5(12) 6_565 . ?
C15C C41A C10C 78(6) 6_565 . ?
C16C C41A C10C 84.1(18) 6_565 . ?
C42A C41A C10C 124.8(16) . . ?
C15C C41A C45A 49(5) 6_565 . ?
C16C C41A C45A 134(2) 6_565 . ?
C42A C41A C45A 106.6(14) . . ?
C10C C41A C45A 124.7(18) . . ?
C15C C41A C26A 40(5) 6_565 6_565 ?
C16C C41A C26A 120(2) 6_565 6_565 ?
C42A C41A C26A 162.2(16) . 6_565 ?
C10C C41A C26A 38.6(11) . 6_565 ?
C45A C41A C26A 87.4(14) . 6_565 ?
C15C C41A C14C 53(5) 6_565 6_565 ?
C16C C41A C14C 132(2) 6_565 6_565 ?
C42A C41A C14C 103.1(15) . 6_565 ?
C10C C41A C14C 128.1(17) . 6_565 ?
C45A C41A C14C 3.5(12) . 6_565 ?
C26A C41A C14C 90.8(12) 6_565 6_565 ?
C16C C42A C24A 97.1(18) 6_565 6_565 ?
C16C C42A C41A 53.1(16) 6_565 . ?
C24A C42A C41A 130.6(17) 6_565 . ?
C16C C42A C43A 131.4(19) 6_565 . ?
C24A C42A C43A 61.4(15) 6_565 . ?
C41A C42A C43A 106.4(12) . . ?
C16C C42A C18A 66.2(14) 6_565 . ?
C24A C42A C18A 52.1(12) 6_565 . ?
C41A C42A C18A 119.3(15) . . ?
C43A C42A C18A 113.2(15) . . ?
C16C C42A C15C 57.5(17) 6_565 6_565 ?
C24A C42A C15C 129.2(17) 6_565 6_565 ?
C41A C42A C15C 5.5(15) . 6_565 ?
C43A C42A C15C 101.0(14) . 6_565 ?
C18A C42A C15C 123.5(16) . 6_565 ?
C16C C42A C23A 123.2(18) 6_565 6_565 ?
C24A C42A C23A 49.3(12) 6_565 6_565 ?
C41A C42A C23A 110.1(12) . 6_565 ?
C43A C42A C23A 12.9(10) . 6_565 ?
C18A C42A C23A 101.4(12) . 6_565 ?
C15C C42A C23A 105.1(13) 6_565 6_565 ?
C23A C43A C24A 97(3) 6_565 6_565 ?
C23A C43A C44A 88(3) 6_565 . ?
C24A C43A C44A 138.8(18) 6_565 . ?
C23A C43A C42A 140(3) 6_565 . ?
C24A C43A C42A 43.8(10) 6_565 . ?
C44A C43A C42A 113.7(15) . . ?
C23A C43A C13C 69(2) 6_565 6_565 ?
C24A C43A C13C 134.3(18) 6_565 6_565 ?
C44A C43A C13C 19.9(15) . 6_565 ?
C42A C43A C13C 126.4(17) . 6_565 ?
C23A C43A C22A 23(2) 6_565 . ?
C24A C43A C22A 86.3(13) 6_565 . ?
C44A C43A C22A 109.6(15) . . ?
C42A C43A C22A 129.6(14) . . ?
C13C C43A C22A 90.8(14) 6_565 . ?
C13C C44A C14C 116(4) 6_565 6_565 ?
C13C C44A C43A 104(4) 6_565 . ?
C14C C44A C43A 118.9(17) 6_565 . ?
C13C C44A C23A 77(4) 6_565 6_565 ?
C14C C44A C23A 139(2) 6_565 6_565 ?
C43A C44A C23A 27.7(11) . 6_565 ?
C13C C44A C45A 122(4) 6_565 . ?
C14C C44A C45A 14.2(12) 6_565 . ?
C43A C44A C45A 104.8(13) . . ?
C23A C44A C45A 124.9(17) 6_565 . ?
C13C C44A C12C 21(3) 6_565 . ?
C14C C44A C12C 108.8(15) 6_565 . ?
C43A C44A C12C 122.4(17) . . ?
C23A C44A C12C 94.7(15) 6_565 . ?
C45A C44A C12C 119.3(14) . . ?
C14C C45A C15C 177(7) 6_565 6_565 ?
C14C C45A C58A 66(5) 6_565 . ?
C15C C45A C58A 116(2) 6_565 . ?
C14C C45A C41A 163(5) 6_565 . ?
C15C C45A C41A 15.2(15) 6_565 . ?
C58A C45A C41A 130.0(19) . . ?
C14C C45A C44A 56(5) 6_565 . ?
C15C C45A C44A 122.8(18) 6_565 . ?
C58A C45A C44A 117.4(15) . . ?
C41A C45A C44A 107.7(13) . . ?
C14C C45A C55A 49(5) 6_565 6_565 ?
C15C C45A C55A 133(2) 6_565 6_565 ?
C58A C45A C55A 17.8(10) . 6_565 ?
C41A C45A C55A 147.7(16) . 6_565 ?
C44A C45A C55A 102.2(12) . 6_565 ?
C14C C45A C13C 52(5) 6_565 6_565 ?
C15C C45A C13C 127.8(19) 6_565 6_565 ?
C58A C45A C13C 106.1(14) . 6_565 ?
C41A C45A C13C 113.7(14) . 6_565 ?
C44A C45A C13C 14.7(12) . 6_565 ?
C55A C45A C13C 92.9(11) 6_565 6_565 ?
C16A C46A C17A 148(5) 6_565 6_565 ?
C16A C46A C5C 90(3) 6_565 . ?
C17A C46A C5C 117(2) 6_565 . ?
C16A C46A C20A 75(3) 6_565 6_565 ?
C17A C46A C20A 130(2) 6_565 6_565 ?
C5C C46A C20A 15.2(12) . 6_565 ?
C16A C46A C50A 147(4) 6_565 . ?
C17A C46A C50A 17.8(16) 6_565 . ?
C5C C46A C50A 122.5(15) . . ?
C20A C46A C50A 137.5(17) 6_565 . ?
C16A C46A C47A 47(4) 6_565 . ?
C17A C46A C47A 117.5(19) 6_565 . ?
C5C C46A C47A 122.3(13) . . ?
C20A C46A C47A 111.8(14) 6_565 . ?
C50A C46A C47A 105.3(11) . . ?
C16A C46A C3C 37(4) 6_565 6_565 ?
C17A C46A C3C 131(2) 6_565 6_565 ?
C5C C46A C3C 108.5(12) . 6_565 ?
C20A C46A C3C 97.7(13) 6_565 6_565 ?
C50A C46A C3C 118.3(13) . 6_565 ?
C47A C46A C3C 14.0(8) . 6_565 ?
C16A C46A C18A 154(4) 6_565 6_565 ?
C17A C46A C18A 46.6(14) 6_565 6_565 ?
C5C C46A C18A 70.7(11) . 6_565 ?
C20A C46A C18A 83.9(13) 6_565 6_565 ?
C50A C46A C18A 55.6(10) . 6_565 ?
C47A C46A C18A 159.0(13) . 6_565 ?
C3C C46A C18A 165.6(16) 6_565 6_565 ?
C3C C47A C15A 102(4) 6_565 6_565 ?
C3C C47A C16A 97(4) 6_565 6_565 ?
C15A C47A C16A 155(2) 6_565 6_565 ?
C3C C47A C4A 12(4) 6_565 . ?
C15A C47A C4A 91.1(16) 6_565 . ?
C16A C47A C4A 106.5(15) 6_565 . ?
C3C C47A C48A 136(5) 6_565 . ?
C15A C47A C48A 33.9(10) 6_565 . ?
C16A C47A C48A 124.1(16) 6_565 . ?
C4A C47A C48A 124.4(18) . . ?
C3C C47A C46A 110(4) 6_565 . ?
C15A C47A C46A 139.1(17) 6_565 . ?
C16A C47A C46A 16.4(12) 6_565 . ?
C4A C47A C46A 117.5(12) . . ?
C48A C47A C46A 108.7(12) . . ?
C3C C47A C2A 12(4) 6_565 6_565 ?
C15A C47A C2A 93.7(14) 6_565 6_565 ?
C16A C47A C2A 102.5(13) 6_565 6_565 ?
C4A C47A C2A 5.4(10) . 6_565 ?
C48A C47A C2A 126.2(15) . 6_565 ?
C46A C47A C2A 112.8(10) . 6_565 ?
C14A C48A C15A 154(4) 6_565 6_565 ?
C14A C48A C6C 85(2) 6_565 . ?
C15A C48A C6C 70(2) 6_565 . ?
C14A C48A C49A 35.8(19) 6_565 . ?
C15A C48A C49A 157(2) 6_565 . ?
C6C C48A C49A 117.9(15) . . ?
C14A C48A C47A 141(3) 6_565 . ?
C15A C48A C47A 56.8(19) 6_565 . ?
C6C C48A C47A 124.0(17) . . ?
C49A C48A C47A 106.2(12) . . ?
C14A C48A C3C 149(3) 6_565 6_565 ?
C15A C48A C3C 47.0(16) 6_565 6_565 ?
C6C C48A C3C 114.2(15) . 6_565 ?
C49A C48A C3C 115.0(12) . 6_565 ?
C47A C48A C3C 9.9(10) . 6_565 ?
C14A C48A C11A 116(2) 6_565 6_565 ?
C15A C48A C11A 38.9(16) 6_565 6_565 ?
C6C C48A C11A 31.2(10) . 6_565 ?
C49A C48A C11A 145.5(14) . 6_565 ?
C47A C48A C11A 94.3(12) . 6_565 ?
C3C C48A C11A 84.4(9) 6_565 6_565 ?
C14A C48A C13A 40.4(18) 6_565 6_565 ?
C15A C48A C13A 114(2) 6_565 6_565 ?
C6C C48A C13A 44.9(10) . 6_565 ?
C49A C48A C13A 74.2(11) . 6_565 ?
C47A C48A C13A 155.9(15) . 6_565 ?
C3C C48A C13A 150.5(12) 6_565 6_565 ?
C11A C48A C13A 75.9(9) 6_565 6_565 ?
C14A C48A C11C 46(2) 6_565 6_565 ?
C15A C48A C11C 147(2) 6_565 6_565 ?
C6C C48A C11C 124.6(14) . 6_565 ?
C49A C48A C11C 11.2(10) . 6_565 ?
C47A C48A C11C 95.4(12) . 6_565 ?
C3C C48A C11C 103.9(12) 6_565 6_565 ?
C11A C48A C11C 147.7(12) 6_565 6_565 ?
C13A C48A C11C 82.9(11) 6_565 6_565 ?
C11C C49A C14A 164(5) 6_565 6_565 ?
C11C C49A C50A 29(3) 6_565 . ?
C14A C49A C50A 141(2) 6_565 . ?
C11C C49A C48A 142(4) 6_565 . ?
C14A C49A C48A 29.1(14) 6_565 . ?
C50A C49A C48A 113.4(13) . . ?
C11C C49A C27A 87(3) 6_565 . ?
C14A C49A C27A 94.2(18) 6_565 . ?
C50A C49A C27A 114.2(16) . . ?
C48A C49A C27A 121.5(15) . . ?
C11C C49A C10C 45(3) 6_565 6_565 ?
C14A C49A C10C 135(2) 6_565 6_565 ?
C50A C49A C10C 72.5(13) . 6_565 ?
C48A C49A C10C 154.7(17) . 6_565 ?
C27A C49A C10C 42.6(9) . 6_565 ?
C11C C49A C17A 44(3) 6_565 6_565 ?
C14A C49A C17A 128(2) 6_565 6_565 ?
C50A C49A C17A 16.0(10) . 6_565 ?
C48A C49A C17A 99.6(12) . 6_565 ?
C27A C49A C17A 130.2(15) . 6_565 ?
C10C C49A C17A 88.4(12) 6_565 6_565 ?
C17A C50A C11C 141(4) 6_565 6_565 ?
C17A C50A C49A 125(3) 6_565 . ?
C11C C50A C49A 18.3(19) 6_565 . ?
C17A C50A C16C 115(3) 6_565 . ?
C11C C50A C16C 104(2) 6_565 . ?
C49A C50A C16C 120.1(16) . . ?
C17A C50A C46A 30(3) 6_565 . ?
C11C C50A C46A 124(2) 6_565 . ?
C49A C50A C46A 106.0(13) . . ?
C16C C50A C46A 122.8(17) . . ?
C17A C50A C18A 59(3) 6_565 6_565 ?
C11C C50A C18A 160(3) 6_565 6_565 ?
C49A C50A C18A 172.9(18) . 6_565 ?
C16C C50A C18A 56.1(11) . 6_565 ?
C46A C50A C18A 74.1(12) . 6_565 ?
C17A C50A C16A 33(3) 6_565 6_565 ?
C11C C50A C16A 117(2) 6_565 6_565 ?
C49A C50A C16A 99.0(13) . 6_565 ?
C16C C50A C16A 130.4(16) . 6_565 ?
C46A C50A C16A 7.7(10) . 6_565 ?
C18A C50A C16A 81.4(11) 6_565 6_565 ?
C17A C50A C10C 171(4) 6_565 6_565 ?
C11C C50A C10C 45.2(19) 6_565 6_565 ?
C49A C50A C10C 62.6(11) . 6_565 ?
C16C C50A C10C 59.1(11) . 6_565 ?
C46A C50A C10C 157.7(14) . 6_565 ?
C18A C50A C10C 114.7(13) 6_565 6_565 ?
C16A C50A C10C 155.4(14) 6_565 6_565 ?
C59A C51A C60A 90.6(17) 6_565 6_565 ?
C59A C51A C58A 75.1(16) 6_565 6_565 ?
C60A C51A C58A 137.3(16) 6_565 6_565 ?
C59A C51A C55A 104.0(19) 6_565 . ?
C60A C51A C55A 139.8(17) 6_565 . ?
C58A C51A C55A 29.0(11) 6_565 . ?
C59A C51A C52A 126.5(18) 6_565 . ?
C60A C51A C52A 35.9(11) 6_565 . ?
C58A C51A C52A 136.3(14) 6_565 . ?
C55A C51A C52A 117.0(13) . . ?
C59A C51A C30A 12.3(17) 6_565 . ?
C60A C51A C30A 81.7(13) 6_565 . ?
C58A C51A C30A 87.4(13) 6_565 . ?
C55A C51A C30A 116.2(13) . . ?
C52A C51A C30A 117.4(11) . . ?
C59A C51A C57A 127.2(19) 6_565 6_565 ?
C60A C51A C57A 108.0(15) 6_565 6_565 ?
C58A C51A C57A 57.5(10) 6_565 6_565 ?
C55A C51A C57A 34.5(10) . 6_565 ?
C52A C51A C57A 82.7(11) . 6_565 ?
C30A C51A C57A 138.2(13) . 6_565 ?
C59A C51A C56A 142.3(18) 6_565 6_565 ?
C60A C51A C56A 61.3(12) 6_565 6_565 ?
C58A C51A C56A 107.6(13) 6_565 6_565 ?
C55A C51A C56A 86.4(12) . 6_565 ?
C52A C51A C56A 30.6(7) . 6_565 ?
C30A C51A C56A 139.1(12) . 6_565 ?
C57A C51A C56A 52.1(8) 6_565 6_565 ?
C56A C52A C60A 125(3) 6_565 6_565 ?
C56A C52A C35A 130(3) 6_565 . ?
C60A C52A C35A 67.7(17) 6_565 . ?
C56A C52A C51A 88.8(18) 6_565 . ?
C60A C52A C51A 53.2(17) 6_565 . ?
C35A C52A C51A 120.9(12) . . ?
C56A C52A C53A 15.2(15) 6_565 . ?
C60A C52A C53A 137(2) 6_565 . ?
C35A C52A C53A 121.2(16) . . ?
C51A C52A C53A 103.7(10) . . ?
C56A C52A C39A 132(2) 6_565 6_565 ?
C60A C52A C39A 49.4(16) 6_565 6_565 ?
C35A C52A C39A 19.0(9) . 6_565 ?
C51A C52A C39A 102.5(10) . 6_565 ?
C53A C52A C39A 128.7(14) . 6_565 ?
C56A C52A C22C 43.0(15) 6_565 6_565 ?
C60A C52A C22C 136(2) 6_565 6_565 ?
C35A C52A C22C 92.0(13) . 6_565 ?
C51A C52A C22C 130.1(10) . 6_565 ?
C53A C52A C22C 30.0(7) . 6_565 ?
C39A C52A C22C 102.9(11) 6_565 6_565 ?
C56A C52A C57A 36.4(14) 6_565 6_565 ?
C60A C52A C57A 94.9(18) 6_565 6_565 ?
C35A C52A C57A 143.2(15) . 6_565 ?
C51A C52A C57A 52.5(8) . 6_565 ?
C53A C52A C57A 51.4(8) . 6_565 ?
C39A C52A C57A 129.8(11) 6_565 6_565 ?
C22C C52A C57A 78.4(7) 6_565 6_565 ?
C56A C53A C22C 117(3) 6_565 6_565 ?
C56A C53A C54A 87(2) 6_565 . ?
C22C C53A C54A 139.0(17) 6_565 . ?
C56A C53A C22C 133(3) 6_565 . ?
C22C C53A C22C 19.4(11) 6_565 . ?
C54A C53A C22C 121.9(12) . . ?
C56A C53A C52A 18.5(17) 6_565 . ?
C22C C53A C52A 102.6(16) 6_565 . ?
C54A C53A C52A 105.0(11) . . ?
C22C C53A C52A 121.1(13) . . ?
C56A C53A C57A 64.1(19) 6_565 6_565 ?
C22C C53A C57A 149.9(19) 6_565 6_565 ?
C54A C53A C57A 22.5(10) . 6_565 ?
C22C C53A C57A 138.8(15) . 6_565 ?
C52A C53A C57A 82.5(11) . 6_565 ?
C56A C53A C53A 154(2) 6_565 6_565 ?
C22C C53A C53A 53.6(12) 6_565 6_565 ?
C54A C53A C53A 90.2(7) . 6_565 ?
C22C C53A C53A 34.2(7) . 6_565 ?
C52A C53A C53A 152.2(9) . 6_565 ?
C57A C53A C53A 111.0(9) 6_565 6_565 ?
C57A C54A C20C 133(3) 6_565 . ?
C57A C54A C53A 93(3) 6_565 . ?
C20C C54A C53A 125.2(12) . . ?
C57A C54A C55A 18(2) 6_565 . ?
C20C C54A C55A 120.4(12) . . ?
C53A C54A C55A 110.2(11) . . ?
C57A C54A C56A 67(2) 6_565 6_565 ?
C20C C54A C56A 145.1(16) . 6_565 ?
C53A C54A C56A 26.3(9) . 6_565 ?
C55A C54A C56A 84.3(11) . 6_565 ?
C57A C54A C54A 158(3) 6_565 6_565 ?
C20C C54A C54A 36.1(8) . 6_565 ?
C53A C54A C54A 89.8(7) . 6_565 ?
C55A C54A C54A 154.8(9) . 6_565 ?
C56A C54A C54A 113.4(8) 6_565 6_565 ?
C57A C54A C58A 18(2) 6_565 6_565 ?
C20C C54A C58A 114.9(12) . 6_565 ?
C53A C54A C58A 109.5(11) . 6_565 ?
C55A C54A C58A 13.1(8) . 6_565 ?
C56A C54A C58A 83.3(11) 6_565 6_565 ?
C54A C54A C58A 145.2(7) 6_565 6_565 ?
C58A C55A C57A 131(3) 6_565 6_565 ?
C58A C55A C51A 75(2) 6_565 . ?
C57A C55A C51A 91(2) 6_565 . ?
C58A C55A C54A 136(3) 6_565 . ?
C57A C55A C54A 12.2(16) 6_565 . ?
C51A C55A C54A 103.4(13) . . ?
C58A C55A C14C 48(2) 6_565 . ?
C57A C55A C14C 129(2) 6_565 . ?
C51A C55A C14C 121.8(15) . . ?
C54A C55A C14C 121.6(12) . . ?
C58A C55A C45A 37(2) 6_565 6_565 ?
C57A C55A C45A 134(2) 6_565 6_565 ?
C51A C55A C45A 110.8(14) . 6_565 ?
C54A C55A C45A 128.9(13) . 6_565 ?
C14C C55A C45A 11.0(11) . 6_565 ?
C58A C55A C59A 43(2) 6_565 6_565 ?
C57A C55A C59A 114(2) 6_565 6_565 ?
C51A C55A C59A 31.6(10) . 6_565 ?
C54A C55A C59A 126.1(14) . 6_565 ?
C14C C55A C59A 90.3(13) . 6_565 ?
C45A C55A C59A 79.2(12) 6_565 6_565 ?
C58A C55A C56A 115(3) 6_565 6_565 ?
C57A C55A C56A 38.1(16) 6_565 6_565 ?
C51A C55A C56A 53.8(10) . 6_565 ?
C54A C55A C56A 49.7(8) . 6_565 ?
C14C C55A C56A 150.5(14) . 6_565 ?
C45A C55A C56A 145.5(13) 6_565 6_565 ?
C59A C55A C56A 80.5(10) 6_565 6_565 ?
C53A C56A C52A 146(3) 6_565 6_565 ?
C53A C56A C22C 37.8(19) 6_565 . ?
C52A C56A C22C 114(2) 6_565 . ?
C53A C56A C57A 90.0(19) 6_565 . ?
C52A C56A C57A 123(2) 6_565 . ?
C22C C56A C57A 120.7(10) . . ?
C53A C56A C60A 163(3) 6_565 . ?
C52A C56A C60A 27.7(14) 6_565 . ?
C22C C56A C60A 125.9(12) . . ?
C57A C56A C60A 100.9(12) . . ?
C53A C56A C54A 67.0(19) 6_565 6_565 ?
C52A C56A C54A 146(2) 6_565 6_565 ?
C22C C56A C54A 98.8(11) . 6_565 ?
C57A C56A C54A 23.0(8) . 6_565 ?
C60A C56A C54A 122.9(13) . 6_565 ?
C53A C56A C51A 152(2) 6_565 6_565 ?
C52A C56A C51A 60.5(15) 6_565 6_565 ?
C22C C56A C51A 165.3(13) . 6_565 ?
C57A C56A C51A 62.8(9) . 6_565 ?
C60A C56A C51A 42.6(8) . 6_565 ?
C54A C56A C51A 85.8(10) 6_565 6_565 ?
C53A C56A C35A 127(2) 6_565 6_565 ?
C52A C56A C35A 28.9(16) 6_565 6_565 ?
C22C C56A C35A 89.2(9) . 6_565 ?
C57A C56A C35A 137.2(13) . 6_565 ?
C60A C56A C35A 38.7(8) . 6_565 ?
C54A C56A C35A 154.2(13) 6_565 6_565 ?
C51A C56A C35A 81.0(8) 6_565 6_565 ?
C53A C56A C22C 32(2) 6_565 6_565 ?
C52A C56A C22C 122.4(19) 6_565 6_565 ?
C22C C56A C22C 9.4(5) . 6_565 ?
C57A C56A C22C 111.4(9) . 6_565 ?
C60A C56A C22C 131.6(11) . 6_565 ?
C54A C56A C22C 89.7(10) 6_565 6_565 ?
C51A C56A C22C 163.4(11) 6_565 6_565 ?
C35A C56A C22C 96.7(8) 6_565 6_565 ?
C53A C56A C55A 113(2) 6_565 6_565 ?
C52A C56A C55A 100.3(18) 6_565 6_565 ?
C22C C56A C55A 143.5(10) . 6_565 ?
C57A C56A C55A 23.2(8) . 6_565 ?
C60A C56A C55A 80.0(10) . 6_565 ?
C54A C56A C55A 46.1(7) 6_565 6_565 ?
C51A C56A C55A 39.8(6) 6_565 6_565 ?
C35A C56A C55A 118.4(10) 6_565 6_565 ?
C22C C56A C55A 134.1(9) 6_565 6_565 ?
C54A C57A C55A 149(4) 6_565 6_565 ?
C54A C57A C58A 154(3) 6_565 . ?
C55A C57A C58A 20.3(15) 6_565 . ?
C54A C57A C56A 90(2) 6_565 . ?
C55A C57A C56A 119(2) 6_565 . ?
C58A C57A C56A 113.0(13) . . ?
C54A C57A C20C 31(2) 6_565 . ?
C55A C57A C20C 126(2) 6_565 . ?
C58A C57A C20C 123.7(15) . . ?
C56A C57A C20C 115.0(10) . . ?
C54A C57A C51A 155(3) 6_565 6_565 ?
C55A C57A C51A 54.0(15) 6_565 6_565 ?
C58A C57A C51A 50.0(10) . 6_565 ?
C56A C57A C51A 65.1(11) . 6_565 ?
C20C C57A C51A 165.9(15) . 6_565 ?
C54A C57A C53A 65(2) 6_565 6_565 ?
C55A C57A C53A 143(2) 6_565 6_565 ?
C58A C57A C53A 138.4(15) . 6_565 ?
C56A C57A C53A 25.8(8) . 6_565 ?
C20C C57A C53A 90.9(11) . 6_565 ?
C51A C57A C53A 90.7(13) 6_565 6_565 ?
C54A C57A C52A 111(2) 6_565 6_565 ?
C55A C57A C52A 98.6(19) 6_565 6_565 ?
C58A C57A C52A 93.1(11) . 6_565 ?
C56A C57A C52A 20.3(8) . 6_565 ?
C20C C57A C52A 134.2(10) . 6_565 ?
C51A C57A C52A 44.8(8) 6_565 6_565 ?
C53A C57A C52A 46.1(8) 6_565 6_565 ?
C55A C58A C14C 108(3) 6_565 6_565 ?
C55A C58A C45A 125(3) 6_565 . ?
C14C C58A C45A 17.4(13) 6_565 . ?
C55A C58A C51A 76(2) 6_565 6_565 ?
C14C C58A C51A 171.1(19) 6_565 6_565 ?
C45A C58A C51A 156.2(19) . 6_565 ?
C55A C58A C59A 118(3) 6_565 . ?
C14C C58A C59A 132.1(17) 6_565 . ?
C45A C58A C59A 114.8(17) . . ?
C51A C58A C59A 42.1(10) 6_565 . ?
C55A C58A C57A 29(2) 6_565 . ?
C14C C58A C57A 115.2(17) 6_565 . ?
C45A C58A C57A 131.0(18) . . ?
C51A C58A C57A 72.5(12) 6_565 . ?
C59A C58A C57A 111.1(13) . . ?
C55A C58A C30A 127(3) 6_565 6_565 ?
C14C C58A C30A 122.9(14) 6_565 6_565 ?
C45A C58A C30A 105.6(13) . 6_565 ?
C51A C58A C30A 51.3(11) 6_565 6_565 ?
C59A C58A C30A 9.2(11) . 6_565 ?
C57A C58A C30A 119.6(12) . 6_565 ?
C55A C58A C54A 31(2) 6_565 6_565 ?
C14C C58A C54A 107.8(15) 6_565 6_565 ?
C45A C58A C54A 123.3(16) . 6_565 ?
C51A C58A C54A 80.1(11) 6_565 6_565 ?
C59A C58A C54A 117.9(12) . 6_565 ?
C57A C58A C54A 7.7(11) . 6_565 ?
C30A C58A C54A 126.1(12) 6_565 6_565 ?
C30A C59A C51A 148(4) 6_565 6_565 ?
C30A C59A C58A 149(4) 6_565 . ?
C51A C59A C58A 62.7(15) 6_565 . ?
C30A C59A C60A 105(3) 6_565 . ?
C51A C59A C60A 49.2(14) 6_565 . ?
C58A C59A C60A 102.2(12) . . ?
C30A C59A C9C 31(3) 6_565 . ?
C51A C59A C9C 172(2) 6_565 . ?
C58A C59A C9C 119.1(17) . . ?
C60A C59A C9C 123.7(16) . . ?
C30A C59A C26A 55(3) 6_565 6_565 ?
C51A C59A C26A 157(2) 6_565 6_565 ?
C58A C59A C26A 94.3(14) . 6_565 ?
C60A C59A C26A 148.5(17) . 6_565 ?
C9C C59A C26A 27.5(9) . 6_565 ?
C30A C59A C55A 167(4) 6_565 6_565 ?
C51A C59A C55A 44.4(13) 6_565 6_565 ?
C58A C59A C55A 18.5(9) . 6_565 ?
C60A C59A C55A 87.2(12) . 6_565 ?
C9C C59A C55A 137.5(17) . 6_565 ?
C26A C59A C55A 112.5(15) 6_565 6_565 ?
C30A C59A C29A 38(3) 6_565 6_565 ?
C51A C59A C29A 118(2) 6_565 6_565 ?
C58A C59A C29A 152.8(16) . 6_565 ?
C60A C59A C29A 69.7(11) . 6_565 ?
C9C C59A C29A 55.8(11) . 6_565 ?
C26A C59A C29A 83.4(11) 6_565 6_565 ?
C55A C59A C29A 152.0(14) 6_565 6_565 ?
C52A C60A C35A 68.0(17) 6_565 6_565 ?
C52A C60A C51A 91(2) 6_565 6_565 ?
C35A C60A C51A 159(2) 6_565 6_565 ?
C52A C60A C39A 103(2) 6_565 . ?
C35A C60A C39A 35.0(10) 6_565 . ?
C51A C60A C39A 165.6(19) 6_565 . ?
C52A C60A C56A 27.6(14) 6_565 . ?
C35A C60A C56A 84.7(14) 6_565 . ?
C51A C60A C56A 76.1(14) 6_565 . ?
C39A C60A C56A 113.9(12) . . ?
C52A C60A C59A 131(2) 6_565 . ?
C35A C60A C59A 160.9(19) 6_565 . ?
C51A C60A C59A 40.2(10) 6_565 . ?
C39A C60A C59A 126.0(16) . . ?
C56A C60A C59A 112.2(13) . . ?
C52A C60A C31A 129(2) 6_565 6_565 ?
C35A C60A C31A 61.7(14) 6_565 6_565 ?
C51A C60A C31A 139.2(15) 6_565 6_565 ?
C39A C60A C31A 29.1(9) . 6_565 ?
C56A C60A C31A 142.8(13) . 6_565 ?
C59A C60A C31A 99.5(13) . 6_565 ?
C52A C60A C30A 149(2) 6_565 6_565 ?
C35A C60A C30A 142.2(18) 6_565 6_565 ?
C51A C60A C30A 58.6(12) 6_565 6_565 ?
C39A C60A C30A 108.3(13) . 6_565 ?
C56A C60A C30A 131.6(13) . 6_565 ?
C59A C60A C30A 19.5(10) . 6_565 ?
C31A C60A C30A 80.6(10) 6_565 6_565 ?
C52A C60A C29A 165(2) 6_565 6_565 ?
C35A C60A C29A 98.2(15) 6_565 6_565 ?
C51A C60A C29A 102.7(13) 6_565 6_565 ?
C39A C60A C29A 64.5(10) . 6_565 ?
C56A C60A C29A 162.5(14) . 6_565 ?
C59A C60A C29A 63.0(10) . 6_565 ?
C31A C60A C29A 36.5(7) 6_565 6_565 ?
C30A C60A C29A 44.1(7) 6_565 6_565 ?
C11A C1C C2C 121(3) 6_565 6_565 ?
C11A C1C C6A 172(4) 6_565 . ?
C2C C1C C6A 66.4(13) 6_565 . ?
C11A C1C C6C 39(2) 6_565 . ?
C2C C1C C6C 152(2) 6_565 . ?
C6A C1C C6C 133.2(18) . . ?
C11A C1C C12A 77(2) 6_565 6_565 ?
C2C C1C C12A 160(2) 6_565 6_565 ?
C6A C1C C12A 95.6(14) . 6_565 ?
C6C C1C C12A 39.9(9) . 6_565 ?
C11A C1C C5A 77(2) 6_565 . ?
C2C C1C C5A 44.4(10) 6_565 . ?
C6A C1C C5A 109.4(11) . . ?
C6C C1C C5A 109.0(17) . . ?
C12A C1C C5A 147.4(19) 6_565 . ?
C11A C1C C15A 20(3) 6_565 6_565 ?
C2C C1C C15A 107.3(17) 6_565 6_565 ?
C6A C1C C15A 158.9(18) . 6_565 ?
C6C C1C C15A 46.2(11) . 6_565 ?
C12A C1C C15A 85.9(13) 6_565 6_565 ?
C5A C1C C15A 63.2(10) . 6_565 ?
C11A C1C C10A 167(3) 6_565 6_565 ?
C2C C1C C10A 47.1(11) 6_565 6_565 ?
C6A C1C C10A 19.3(6) . 6_565 ?
C6C C1C C10A 149.5(16) . 6_565 ?
C12A C1C C10A 114.5(13) 6_565 6_565 ?
C5A C1C C10A 90.3(8) . 6_565 ?
C15A C1C C10A 148.1(12) 6_565 6_565 ?
C1C C2C C5A 93.8(16) 6_565 6_565 ?
C1C C2C C6A 65.7(14) 6_565 6_565 ?
C5A C2C C6A 154.7(14) 6_565 6_565 ?
C1C C2C C10A 98.5(15) 6_565 . ?
C5A C2C C10A 159.5(13) 6_565 . ?
C6A C2C C10A 32.8(9) 6_565 . ?
C1C C2C C11A 19.0(13) 6_565 . ?
C5A C2C C11A 75.2(9) 6_565 . ?
C6A C2C C11A 84.7(10) 6_565 . ?
C10A C2C C11A 117.4(9) . . ?
C1C C2C C1A 137.8(17) 6_565 . ?
C5A C2C C1A 47.3(8) 6_565 . ?
C6A C2C C1A 143.4(11) 6_565 . ?
C10A C2C C1A 115.2(7) . . ?
C11A C2C C1A 120.9(7) . . ?
C1C C2C C10A 116.1(15) 6_565 6_565 ?
C5A C2C C10A 141.9(13) 6_565 6_565 ?
C6A C2C C10A 51.1(7) 6_565 6_565 ?
C10A C2C C10A 19.2(7) . 6_565 ?
C11A C2C C10A 134.4(9) . 6_565 ?
C1A C2C C10A 96.0(7) . 6_565 ?
C1C C2C C2C 151.4(13) 6_565 6_565 ?
C5A C2C C2C 99.6(8) 6_565 6_565 ?
C6A C2C C2C 93.5(9) 6_565 6_565 ?
C10A C2C C2C 62.6(6) . 6_565 ?
C11A C2C C2C 158.2(9) . 6_565 ?
C1A C2C C2C 52.7(3) . 6_565 ?
C10A C2C C2C 43.4(6) 6_565 6_565 ?
C47A C3C C4A 162(5) 6_565 6_565 ?
C47A C3C C16A 64(4) 6_565 . ?
C4A C3C C16A 130(2) 6_565 . ?
C47A C3C C15A 60(4) 6_565 . ?
C4A C3C C15A 103.6(19) 6_565 . ?
C16A C3C C15A 122.0(14) . . ?
C47A C3C C2A 165(6) 6_565 . ?
C4A C3C C2A 7.9(15) 6_565 . ?
C16A C3C C2A 122.2(16) . . ?
C15A C3C C2A 109.2(11) . . ?
C47A C3C C46A 56(4) 6_565 6_565 ?
C4A C3C C46A 135(2) 6_565 6_565 ?
C16A C3C C46A 12.2(12) . 6_565 ?
C15A C3C C46A 111.4(13) . 6_565 ?
C2A C3C C46A 127.0(15) . 6_565 ?
C47A C3C C48A 34(4) 6_565 6_565 ?
C4A C3C C48A 128(2) 6_565 6_565 ?
C16A C3C C48A 96.8(12) . 6_565 ?
C15A C3C C48A 25.5(9) . 6_565 ?
C2A C3C C48A 133.1(12) . 6_565 ?
C46A C3C C48A 86.8(10) 6_565 6_565 ?
C47A C3C C5A 124(4) 6_565 6_565 ?
C4A C3C C5A 38.6(14) 6_565 6_565 ?
C16A C3C C5A 156.9(16) . 6_565 ?
C15A C3C C5A 65.1(8) . 6_565 ?
C2A C3C C5A 44.3(6) . 6_565 ?
C46A C3C C5A 150.5(15) 6_565 6_565 ?
C48A C3C C5A 89.8(10) 6_565 6_565 ?
C20A C4C C20A 138(2) 6_565 . ?
C20A C4C C5C 125.3(16) 6_565 6_565 ?
C20A C4C C5C 13.9(16) . 6_565 ?
C20A C4C C5C 13.9(16) 6_565 . ?
C20A C4C C5C 125.3(16) . . ?
C5C C4C C5C 112(2) 6_565 . ?
C20A C4C C3A 108.5(13) 6_565 . ?
C20A C4C C3A 108.5(13) . . ?
C5C C4C C3A 115.3(9) 6_565 . ?
C5C C4C C3A 115.3(9) . . ?
C20A C5C C19A 141(8) 6_565 6_565 ?
C20A C5C C46A 87(6) 6_565 . ?
C19A C5C C46A 108(2) 6_565 . ?
C20A C5C C16A 69(6) 6_565 6_565 ?
C19A C5C C16A 125(3) 6_565 6_565 ?
C46A C5C C16A 18.4(10) . 6_565 ?
C20A C5C C25A 154(7) 6_565 . ?
C19A C5C C25A 16.4(19) 6_565 . ?
C46A C5C C25A 110.7(16) . . ?
C16A C5C C25A 129.0(19) 6_565 . ?
C20A C5C C4C 54(6) 6_565 . ?
C19A C5C C4C 128(3) 6_565 . ?
C46A C5C C4C 123.4(13) . . ?
C16A C5C C4C 106.9(13) 6_565 . ?
C25A C5C C4C 122(2) . . ?
C20A C5C C18A 139(8) 6_565 6_565 ?
C19A C5C C18A 43.1(14) 6_565 6_565 ?
C46A C5C C18A 65.3(13) . 6_565 ?
C16A C5C C18A 82.9(15) 6_565 6_565 ?
C25A C5C C18A 46.9(11) . 6_565 ?
C4C C5C C18A 167.2(19) . 6_565 ?
C20A C5C C17A 109(7) 6_565 6_565 ?
C19A C5C C17A 82.9(18) 6_565 6_565 ?
C46A C5C C17A 25.4(9) . 6_565 ?
C16A C5C C17A 43.3(10) 6_565 6_565 ?
C25A C5C C17A 85.7(13) . 6_565 ?
C4C C5C C17A 147.9(14) . 6_565 ?
C18A C5C C17A 39.9(8) 6_565 6_565 ?
C12A C6C C11A 94(2) 6_565 6_565 ?
C12A C6C C1C 75.4(18) 6_565 . ?
C11A C6C C1C 19.9(13) 6_565 . ?
C12A C6C C15A 161(2) 6_565 6_565 ?
C11A C6C C15A 69.0(13) 6_565 6_565 ?
C1C C6C C15A 86.3(15) . 6_565 ?
C12A C6C C48A 161(2) 6_565 . ?
C11A C6C C48A 103.4(17) 6_565 . ?
C1C C6C C48A 120.4(17) . . ?
C15A C6C C48A 34.5(9) 6_565 . ?
C12A C6C C13A 71.3(13) 6_565 6_565 ?
C11A C6C C13A 164(2) 6_565 6_565 ?
C1C C6C C13A 144.1(17) . 6_565 ?
C15A C6C C13A 124.7(18) 6_565 6_565 ?
C48A C6C C13A 90.7(16) . 6_565 ?
C12A C6C C14A 131.9(19) 6_565 6_565 ?
C11A C6C C14A 133.1(18) 6_565 6_565 ?
C1C C6C C14A 148.0(17) . 6_565 ?
C15A C6C C14A 64.2(11) 6_565 6_565 ?
C48A C6C C14A 29.9(10) . 6_565 ?
C13A C6C C14A 60.8(11) 6_565 6_565 ?
C12A C6C C17C 40.5(12) 6_565 . ?
C11A C6C C17C 132.7(19) 6_565 . ?
C1C C6C C17C 113.0(17) . . ?
C15A C6C C17C 152.2(17) 6_565 . ?
C48A C6C C17C 121.0(17) . . ?
C13A C6C C17C 31.6(9) 6_565 . ?
C14A C6C C17C 91.5(13) 6_565 . ?
C18C C7C C7A 124(3) 6_565 6_565 ?
C18C C7C C12A 104(2) 6_565 . ?
C7A C7C C12A 128.4(18) 6_565 . ?
C18C C7C C9A 134(2) 6_565 . ?
C7A C7C C9A 10.3(14) 6_565 . ?
C12A C7C C9A 118.5(9) . . ?
C18C C7C C37A 18.2(19) 6_565 . ?
C7A C7C C37A 106.2(16) 6_565 . ?
C12A C7C C37A 119.9(8) . . ?
C9A C7C C37A 116.3(8) . . ?
C18C C7C C17C 64.5(19) 6_565 6_565 ?
C7A C7C C17C 159(2) 6_565 6_565 ?
C12A C7C C17C 39.6(7) . 6_565 ?
C9A C7C C17C 152.9(12) . 6_565 ?
C37A C7C C17C 80.4(8) . 6_565 ?
C18C C7C C6A 163(3) 6_565 6_565 ?
C7A C7C C6A 48.6(14) 6_565 6_565 ?
C12A C7C C6A 79.8(9) . 6_565 ?
C9A C7C C6A 38.6(7) . 6_565 ?
C37A C7C C6A 148.4(11) . 6_565 ?
C17C C7C C6A 116.8(10) 6_565 6_565 ?
C18C C7C C32A 19.6(19) 6_565 6_565 ?
C7A C7C C32A 104.8(17) 6_565 6_565 ?
C12A C7C C32A 121.4(9) . 6_565 ?
C9A C7C C32A 114.9(9) . 6_565 ?
C37A C7C C32A 1.5(7) . 6_565 ?
C17C C7C C32A 81.9(10) 6_565 6_565 ?
C6A C7C C32A 147.4(11) 6_565 6_565 ?
C28A C8C C29A 156(7) 6_565 6_565 ?
C28A C8C C9C 116(4) 6_565 . ?
C29A C8C C9C 76.5(15) 6_565 . ?
C28A C8C C27A 70(4) 6_565 6_565 ?
C29A C8C C27A 124.6(18) 6_565 6_565 ?
C9C C8C C27A 48.2(11) . 6_565 ?
C28A C8C C13A 30(4) 6_565 . ?
C29A C8C C13A 158.1(16) 6_565 . ?
C9C C8C C13A 122.5(18) . . ?
C27A C8C C13A 75.8(12) 6_565 . ?
C28A C8C C38A 125(5) 6_565 . ?
C29A C8C C38A 46.9(11) 6_565 . ?
C9C C8C C38A 118.6(16) . . ?
C27A C8C C38A 161(2) 6_565 . ?
C13A C8C C38A 111.3(11) . . ?
C28A C8C C17C 53(4) 6_565 6_565 ?
C29A C8C C17C 125.6(17) 6_565 6_565 ?
C9C C8C C17C 149(2) . 6_565 ?
C27A C8C C17C 107.5(14) 6_565 6_565 ?
C13A C8C C17C 32.6(8) . 6_565 ?
C38A C8C C17C 78.7(11) . 6_565 ?
C28A C8C C30A 147(4) 6_565 6_565 ?
C29A C8C C30A 44.1(10) 6_565 6_565 ?
C9C C8C C30A 32.7(10) . 6_565 ?
C27A C8C C30A 81.0(12) 6_565 6_565 ?
C13A C8C C30A 152.1(19) . 6_565 ?
C38A C8C C30A 86.7(11) . 6_565 ?
C17C C8C C30A 155.9(17) 6_565 6_565 ?
C26A C9C C30A 98(2) 6_565 6_565 ?
C26A C9C C27A 90(2) 6_565 6_565 ?
C30A C9C C27A 171(2) 6_565 6_565 ?
C26A C9C C8C 155(3) 6_565 . ?
C30A C9C C8C 103(2) 6_565 . ?
C27A C9C C8C 68.4(14) 6_565 . ?
C26A C9C C10C 37.8(17) 6_565 . ?
C30A C9C C10C 136(2) 6_565 . ?
C27A C9C C10C 52.0(12) 6_565 . ?
C8C C9C C10C 118.4(16) . . ?
C26A C9C C59A 85(2) 6_565 . ?
C30A C9C C59A 16.9(14) 6_565 . ?
C27A C9C C59A 164.3(19) 6_565 . ?
C8C C9C C59A 112.0(17) . . ?
C10C C9C C59A 120.9(16) . . ?
C26A C9C C29A 156(2) 6_565 6_565 ?
C30A C9C C29A 58.6(13) 6_565 6_565 ?
C27A C9C C29A 112.8(17) 6_565 6_565 ?
C8C C9C C29A 44.5(11) . 6_565 ?
C10C C9C C29A 161.1(15) . 6_565 ?
C59A C9C C29A 70.3(13) . 6_565 ?
C26A C9C C28A 144(2) 6_565 6_565 ?
C30A C9C C28A 115.6(19) 6_565 6_565 ?
C27A C9C C28A 55.7(11) 6_565 6_565 ?
C8C C9C C28A 13.4(10) . 6_565 ?
C10C C9C C28A 106.8(13) . 6_565 ?
C59A C9C C28A 125.4(16) . 6_565 ?
C29A C9C C28A 57.1(10) 6_565 6_565 ?
C26A C10C C27A 76.7(16) 6_565 6_565 ?
C26A C10C C15C 66.1(16) 6_565 6_565 ?
C27A C10C C15C 137.9(19) 6_565 6_565 ?
C26A C10C C41A 83.1(16) 6_565 . ?
C27A C10C C41A 151.4(17) 6_565 . ?
C15C C10C C41A 17.0(14) 6_565 . ?
C26A C10C C11C 146(2) 6_565 . ?
C27A C10C C11C 75.7(15) 6_565 . ?
C15C C10C C11C 128(2) 6_565 . ?
C41A C10C C11C 113.9(19) . . ?
C26A C10C C9C 27.8(12) 6_565 . ?
C27A C10C C9C 49.0(11) 6_565 . ?
C15C C10C C9C 91.8(16) 6_565 . ?
C41A C10C C9C 108.4(15) . . ?
C11C C10C C9C 121.1(16) . . ?
C26A C10C C16C 120.7(18) 6_565 6_565 ?
C27A C10C C16C 141.9(14) 6_565 6_565 ?
C15C C10C C16C 56.9(13) 6_565 6_565 ?
C41A C10C C16C 40.7(11) . 6_565 ?
C11C C10C C16C 73.6(15) . 6_565 ?
C9C C10C C16C 139.0(14) . 6_565 ?
C26A C10C C49A 131.4(17) 6_565 6_565 ?
C27A C10C C49A 58.3(11) 6_565 6_565 ?
C15C C10C C49A 140.9(17) 6_565 6_565 ?
C41A C10C C49A 128.9(15) . 6_565 ?
C11C C10C C49A 17.5(12) . 6_565 ?
C9C C10C C49A 104.5(13) . 6_565 ?
C16C C10C C49A 89.8(12) 6_565 6_565 ?
C26A C10C C50A 153.0(17) 6_565 6_565 ?
C27A C10C C50A 102.4(13) 6_565 6_565 ?
C15C C10C C50A 102.0(16) 6_565 6_565 ?
C41A C10C C50A 86.4(13) . 6_565 ?
C11C C10C C50A 27.9(12) . 6_565 ?
C9C C10C C50A 141.1(13) . 6_565 ?
C16C C10C C50A 45.8(9) 6_565 6_565 ?
C49A C10C C50A 44.9(8) 6_565 6_565 ?
C49A C11C C50A 133(4) 6_565 6_565 ?
C49A C11C C10C 118(4) 6_565 . ?
C50A C11C C10C 107(3) 6_565 . ?
C49A C11C C17A 119(4) 6_565 . ?
C50A C11C C17A 15.2(17) 6_565 . ?
C10C C11C C17A 122(2) . . ?
C49A C11C C14A 9(3) 6_565 . ?
C50A C11C C14A 128(3) 6_565 . ?
C10C C11C C14A 118.4(19) . . ?
C17A C11C C14A 115.3(17) . . ?
C49A C11C C27A 71(3) 6_565 6_565 ?
C50A C11C C27A 150(3) 6_565 6_565 ?
C10C C11C C27A 46.8(10) . 6_565 ?
C17A C11C C27A 164(2) . 6_565 ?
C14A C11C C27A 72.2(14) . 6_565 ?
C49A C11C C16C 160(5) 6_565 6_565 ?
C50A C11C C16C 47.2(18) 6_565 6_565 ?
C10C C11C C16C 60.1(14) . 6_565 ?
C17A C11C C16C 62.3(14) . 6_565 ?
C14A C11C C16C 151.3(19) . 6_565 ?
C27A C11C C16C 103.9(14) 6_565 6_565 ?
C49A C11C C48A 27(3) 6_565 6_565 ?
C50A C11C C48A 106(2) 6_565 6_565 ?
C10C C11C C48A 137.2(18) . 6_565 ?
C17A C11C C48A 93.9(14) . 6_565 ?
C14A C11C C48A 21.4(8) . 6_565 ?
C27A C11C C48A 92.7(14) 6_565 6_565 ?
C16C C11C C48A 140.8(16) 6_565 6_565 ?
C13C C12C C13C 111(2) 6_565 . ?
C13C C12C C20C 120.1(11) 6_565 . ?
C13C C12C C20C 120.1(11) . . ?
C13C C12C C44A 9.1(15) 6_565 . ?
C13C C12C C44A 119.0(13) . . ?
C20C C12C C44A 115.8(8) . . ?
C13C C12C C44A 119.0(13) 6_565 6_565 ?
C13C C12C C44A 9.1(15) . 6_565 ?
C20C C12C C44A 115.8(8) . 6_565 ?
C44A C12C C44A 126.0(16) . 6_565 ?
C44A C13C C12C 150(5) 6_565 . ?
C44A C13C C23A 82(3) 6_565 . ?
C12C C13C C23A 123(2) . . ?
C44A C13C C43A 56(3) 6_565 6_565 ?
C12C C13C C43A 149(2) . 6_565 ?
C23A C13C C43A 26.1(10) . 6_565 ?
C44A C13C C14C 47(4) 6_565 . ?
C12C C13C C14C 120.0(13) . . ?
C23A C13C C14C 115.6(16) . . ?
C43A C13C C14C 91.2(16) 6_565 . ?
C44A C13C C45A 44(4) 6_565 6_565 ?
C12C C13C C45A 128.7(15) . 6_565 ?
C23A C13C C45A 105.5(15) . 6_565 ?
C43A C13C C45A 82.0(14) 6_565 6_565 ?
C14C C13C C45A 10.8(10) . 6_565 ?
C44A C13C C13C 163(4) 6_565 6_565 ?
C12C C13C C13C 34.3(12) . 6_565 ?
C23A C13C C13C 88.7(12) . 6_565 ?
C43A C13C C13C 114.8(12) 6_565 6_565 ?
C14C C13C C13C 149.9(8) . 6_565 ?
C45A C13C C13C 153.8(9) 6_565 6_565 ?
C45A C14C C58A 96(5) 6_565 6_565 ?
C45A C14C C44A 109(6) 6_565 6_565 ?
C58A C14C C44A 143.5(19) 6_565 6_565 ?
C45A C14C C55A 120(5) 6_565 . ?
C58A C14C C55A 24.2(11) 6_565 . ?
C44A C14C C55A 125.7(13) 6_565 . ?
C45A C14C C15C 2(5) 6_565 . ?
C58A C14C C15C 97.8(16) 6_565 . ?
C44A C14C C15C 108.8(17) 6_565 . ?
C55A C14C C15C 121.6(15) . . ?
C45A C14C C13C 117(6) 6_565 . ?
C58A C14C C13C 126.3(16) 6_565 . ?
C44A C14C C13C 17.6(13) 6_565 . ?
C55A C14C C13C 111.2(10) . . ?
C15C C14C C13C 117.0(17) . . ?
C45A C14C C41A 13(4) 6_565 6_565 ?
C58A C14C C41A 109.2(16) 6_565 6_565 ?
C44A C14C C41A 96.9(15) 6_565 6_565 ?
C55A C14C C41A 133.3(15) . 6_565 ?
C15C C14C C41A 12.0(11) . 6_565 ?
C13C C14C C41A 105.9(15) . 6_565 ?
C41A C15C C45A 116(6) 6_565 6_565 ?
C41A C15C C26A 129(6) 6_565 . ?
C45A C15C C26A 113(2) 6_565 . ?
C41A C15C C10C 85(6) 6_565 6_565 ?
C45A C15C C10C 153(3) 6_565 6_565 ?
C26A C15C C10C 44.3(12) . 6_565 ?
C41A C15C C16C 20(5) 6_565 . ?
C45A C15C C16C 121(2) 6_565 . ?
C26A C15C C16C 115(2) . . ?
C10C C15C C16C 72.4(18) 6_565 . ?
C41A C15C C14C 115(6) 6_565 . ?
C45A C15C C14C 0.7(18) 6_565 . ?
C26A C15C C14C 113(2) . . ?
C10C C15C C14C 153(2) 6_565 . ?
C16C C15C C14C 120.7(18) . . ?
C41A C15C C42A 19(5) 6_565 6_565 ?
C45A C15C C42A 96.9(19) 6_565 6_565 ?
C26A C15C C42A 146(2) . 6_565 ?
C10C C15C C42A 102.6(19) 6_565 6_565 ?
C16C C15C C42A 32.1(8) . 6_565 ?
C14C C15C C42A 96.6(14) . 6_565 ?
C42A C16C C41A 84.5(19) 6_565 6_565 ?
C42A C16C C50A 144(2) 6_565 . ?
C41A C16C C50A 130(2) 6_565 . ?
C42A C16C C18A 76.8(16) 6_565 6_565 ?
C41A C16C C18A 161(2) 6_565 6_565 ?
C50A C16C C18A 68.4(13) . 6_565 ?
C42A C16C C24A 43.2(13) 6_565 . ?
C41A C16C C24A 115(2) 6_565 . ?
C50A C16C C24A 111.9(15) . . ?
C18A C16C C24A 49.1(10) 6_565 . ?
C42A C16C C15C 90.5(19) 6_565 . ?
C41A C16C C15C 7(2) 6_565 . ?
C50A C16C C15C 124.8(17) . . ?
C18A C16C C15C 167(2) 6_565 . ?
C24A C16C C15C 118.0(18) . . ?
C42A C16C C10C 137(2) 6_565 6_565 ?
C41A C16C C10C 55.2(14) 6_565 6_565 ?
C50A C16C C10C 75.1(13) . 6_565 ?
C18A C16C C10C 142.7(17) 6_565 6_565 ?
C24A C16C C10C 163.5(15) . 6_565 ?
C15C C16C C10C 50.7(12) . 6_565 ?
C42A C16C C17A 126.2(18) 6_565 6_565 ?
C41A C16C C17A 149(2) 6_565 6_565 ?
C50A C16C C17A 18.5(10) . 6_565 ?
C18A C16C C17A 49.9(10) 6_565 6_565 ?
C24A C16C C17A 94.7(13) . 6_565 ?
C15C C16C C17A 143.2(17) . 6_565 ?
C10C C16C C17A 93.5(13) 6_565 6_565 ?
C42A C16C C11C 169(2) 6_565 6_565 ?
C41A C16C C11C 101.2(18) 6_565 6_565 ?
C50A C16C C11C 28.9(10) . 6_565 ?
C18A C16C C11C 97.3(14) 6_565 6_565 ?
C24A C16C C11C 138.1(15) . 6_565 ?
C15C C16C C11C 96.0(14) . 6_565 ?
C10C C16C C11C 46.4(9) 6_565 6_565 ?
C17A C16C C11C 47.4(10) 6_565 6_565 ?
C13A C17C C12A 95(2) 6_565 6_565 ?
C13A C17C C28A 56.6(16) 6_565 . ?
C12A C17C C28A 151.4(18) 6_565 . ?
C13A C17C C18C 169(2) 6_565 . ?
C12A C17C C18C 80.8(14) 6_565 . ?
C28A C17C C18C 125.3(14) . . ?
C13A C17C C8C 68.9(17) 6_565 6_565 ?
C12A C17C C8C 157.8(17) 6_565 6_565 ?
C28A C17C C8C 14.9(11) . 6_565 ?
C18C C17C C8C 111.5(13) . 6_565 ?
C13A C17C C6C 60.4(16) 6_565 . ?
C12A C17C C6C 36.1(11) 6_565 . ?
C28A C17C C6C 115.3(15) . . ?
C18C C17C C6C 113.9(15) . . ?
C8C C17C C6C 123.8(15) 6_565 . ?
C13A C17C C7C 150(2) 6_565 6_565 ?
C12A C17C C7C 56.3(11) 6_565 6_565 ?
C28A C17C C7C 148.3(14) . 6_565 ?
C18C C17C C7C 24.5(8) . 6_565 ?
C8C C17C C7C 133.6(14) 6_565 6_565 ?
C6C C17C C7C 89.7(12) . 6_565 ?
C13A C17C C38A 118.5(19) 6_565 6_565 ?
C12A C17C C38A 140.8(16) 6_565 6_565 ?
C28A C17C C38A 63.2(10) . 6_565 ?
C18C C17C C38A 62.1(9) . 6_565 ?
C8C C17C C38A 49.7(9) 6_565 6_565 ?
C6C C17C C38A 154.6(11) . 6_565 ?
C7C C17C C38A 85.8(10) 6_565 6_565 ?
C13A C17C C37A 154(2) 6_565 6_565 ?
C12A C17C C37A 104.7(14) 6_565 6_565 ?
C28A C17C C37A 100.8(12) . 6_565 ?
C18C C17C C37A 24.5(7) . 6_565 ?
C8C C17C C37A 87.1(10) 6_565 6_565 ?
C6C C17C C37A 134.7(13) . 6_565 ?
C7C C17C C37A 48.5(7) 6_565 6_565 ?
C38A C17C C37A 37.6(6) 6_565 6_565 ?
C7C C18C C37A 149(3) 6_565 6_565 ?
C7C C18C C32A 150(3) 6_565 . ?
C37A C18C C32A 1.5(19) 6_565 . ?
C7C C18C C7A 32.3(17) 6_565 . ?
C37A C18C C7A 116.8(19) 6_565 . ?
C32A C18C C7A 117.8(17) . . ?
C7C C18C C17C 91(2) 6_565 . ?
C37A C18C C17C 115.5(16) 6_565 . ?
C32A C18C C17C 115.1(14) . . ?
C7A C18C C17C 120.6(14) . . ?
C7C C18C C12A 52.7(16) 6_565 6_565 ?
C37A C18C C12A 151.9(19) 6_565 6_565 ?
C32A C18C C12A 151.9(15) . 6_565 ?
C7A C18C C12A 83.6(11) . 6_565 ?
C17C C18C C12A 38.3(9) . 6_565 ?
C7C C18C C38A 155(3) 6_565 6_565 ?
C37A C18C C38A 45.4(10) 6_565 6_565 ?
C32A C18C C38A 45.0(10) . 6_565 ?
C7A C18C C38A 150.6(14) . 6_565 ?
C17C C18C C38A 70.0(10) . 6_565 ?
C12A C18C C38A 107.4(12) 6_565 6_565 ?
C7C C18C C9A 31.2(15) 6_565 6_565 ?
C37A C18C C9A 117.8(17) 6_565 6_565 ?
C32A C18C C9A 118.9(15) . 6_565 ?
C7A C18C C9A 1.5(10) . 6_565 ?
C17C C18C C9A 119.2(12) . 6_565 ?
C12A C18C C9A 82.3(8) 6_565 6_565 ?
C38A C18C C9A 150.6(12) 6_565 6_565 ?
C7C C18C C36A 118(2) 6_565 6_565 ?
C37A C18C C36A 30.6(10) 6_565 6_565 ?
C32A C18C C36A 31.6(11) . 6_565 ?
C7A C18C C36A 86.3(12) . 6_565 ?
C17C C18C C36A 141.6(12) . 6_565 ?
C12A C18C C36A 159.0(13) 6_565 6_565 ?
C38A C18C C36A 73.9(9) 6_565 6_565 ?
C9A C18C C36A 87.3(9) 6_565 6_565 ?
C33A C19C C33A 111.1(19) . 6_565 ?
C33A C19C C8A 120.6(10) . . ?
C33A C19C C8A 120.6(10) 6_565 . ?
C33A C19C C36A 126.5(13) . . ?
C33A C19C C36A 15.4(12) 6_565 . ?
C8A C19C C36A 107.4(7) . . ?
C33A C19C C36A 15.4(12) . 6_565 ?
C33A C19C C36A 126.5(13) 6_565 6_565 ?
C8A C19C C36A 107.4(7) . 6_565 ?
C36A C19C C36A 141.8(16) . 6_565 ?
C54A C20C C54A 107.7(15) . 6_565 ?
C54A C20C C57A 121.8(12) . . ?
C54A C20C C57A 16.4(11) 6_565 . ?
C54A C20C C57A 16.4(11) . 6_565 ?
C54A C20C C57A 121.8(12) 6_565 6_565 ?
C57A C20C C57A 133.8(14) . 6_565 ?
C54A C20C C12C 125.5(8) . . ?
C54A C20C C12C 125.5(8) 6_565 . ?
C57A C20C C12C 109.7(8) . . ?
C57A C20C C12C 109.7(8) 6_565 . ?
C34A C21C C34A 130.0(15) 6_565 . ?
C34A C21C C22C 102.0(9) 6_565 . ?
C34A C21C C22C 123.8(9) . . ?
C34A C21C C22C 123.8(9) 6_565 6_565 ?
C34A C21C C22C 102.0(9) . 6_565 ?
C22C C21C C22C 22.1(11) . 6_565 ?
C34A C21C C40A 18.4(8) 6_565 . ?
C34A C21C C40A 116.2(11) . . ?
C22C C21C C40A 108.0(7) . . ?
C22C C21C C40A 127.1(8) 6_565 . ?
C34A C21C C40A 116.2(11) 6_565 6_565 ?
C34A C21C C40A 18.4(8) . 6_565 ?
C22C C21C C40A 127.1(8) . 6_565 ?
C22C C21C C40A 108.0(8) 6_565 6_565 ?
C40A C21C C40A 100.2(14) . 6_565 ?
C22C C22C C53A 126.4(12) 6_565 6_565 ?
C22C C22C C56A 147.0(7) 6_565 . ?
C53A C22C C56A 25.2(12) 6_565 . ?
C22C C22C C53A 34.2(7) 6_565 . ?
C53A C22C C53A 92.3(16) 6_565 . ?
C56A C22C C53A 114.3(10) . . ?
C22C C22C C21C 78.9(5) 6_565 . ?
C53A C22C C21C 148.8(16) 6_565 . ?
C56A C22C C21C 123.9(10) . . ?
C53A C22C C21C 111.0(10) . . ?
C22C C22C C52A 166.3(5) 6_565 6_565 ?
C53A C22C C52A 47.4(12) 6_565 6_565 ?
C56A C22C C52A 23.3(7) . 6_565 ?
C53A C22C C52A 137.2(10) . 6_565 ?
C21C C22C C52A 103.4(8) . 6_565 ?
C22C C22C C56A 23.6(5) 6_565 6_565 ?
C53A C22C C56A 104.2(12) 6_565 6_565 ?
C56A C22C C56A 123.5(11) . 6_565 ?
C53A C22C C56A 14.8(8) . 6_565 ?
C21C C22C C56A 96.7(8) . 6_565 ?
C52A C22C C56A 144.5(8) 6_565 6_565 ?

_refine_diff_density_max         0.956
_refine_diff_density_min         -0.817
_refine_diff_density_rms         0.110

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_26
_database_code_depnum_ccdc_archive 'CCDC 1508508'
_audit_update_record             
;
2016-10-06 deposited with the CCDC.
2017-05-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C122 H56 N4 Ni1 U1'
_chemical_formula_weight         1874.44

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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   25.102(3)
_cell_length_b                   14.9208(19)
_cell_length_c                   38.636(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.044(2)
_cell_angle_gamma                90
_cell_volume                     14435(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    10703
_cell_measurement_theta_min      4.390
_cell_measurement_theta_max      54.666

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_F_000             7488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    2.571
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.562
_exptl_absorpt_correction_T_max  0.773
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            70532
_diffrn_reflns_av_unetI/netI     0.1150
_diffrn_reflns_av_R_equivalents  0.0981
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_theta_min         1.627
_diffrn_reflns_theta_max         28.464
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             18022
_reflns_number_gt                11937
_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       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_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)+(0.1000P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18022
_refine_ls_number_parameters     1873
_refine_ls_number_restraints     3929
_refine_ls_R_factor_all          0.1705
_refine_ls_R_factor_gt           0.1247
_refine_ls_wR_factor_ref         0.3355
_refine_ls_wR_factor_gt          0.3214
_refine_ls_goodness_of_fit_ref   1.813
_refine_ls_restrained_S_all      1.872
_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
Ni1 Ni 0.01871(3) 0.99081(5) 0.20704(2) 0.0177(2) Uani 1 1 d . . . A 4
N4 N 0.01997(19) 0.8590(3) 0.20612(13) 0.0171(10) Uani 1 1 d . . . A 4
N3 N 0.0762(2) 0.9914(3) 0.24437(15) 0.0204(12) Uani 1 1 d . . . A 4
N1 N -0.0365(2) 0.9915(3) 0.16874(16) 0.0228(12) Uani 1 1 d . . . A 4
N2 N 0.02023(19) 1.1212(3) 0.20640(14) 0.0210(11) Uani 1 1 d . . . A 4
C1N C -0.0596(2) 0.9180(4) 0.15105(18) 0.0234(14) Uani 1 1 d . . . A 4
C2N C -0.0960(3) 0.9453(5) 0.12286(18) 0.0268(15) Uani 1 1 d . . . A 4
C3N C -0.1249(3) 0.8829(5) 0.09773(19) 0.0338(17) Uani 1 1 d . . . A 4
H3N1 H -0.1545 0.9142 0.0856 0.041 Uiso 1 1 calc R U . A 4
H3N2 H -0.1394 0.8332 0.1103 0.041 Uiso 1 1 calc R U . A 4
C4N C -0.0880(4) 0.8473(6) 0.0717(2) 0.049(2) Uani 1 1 d . . . A 4
H4N1 H -0.1073 0.8075 0.0559 0.073 Uiso 1 1 calc R U . A 4
H4N2 H -0.0590 0.8155 0.0837 0.073 Uiso 1 1 calc R U . A 4
H4N3 H -0.0741 0.8964 0.0591 0.073 Uiso 1 1 calc R U . A 4
C5N C -0.0953(3) 1.0364(5) 0.12279(18) 0.0275(15) Uani 1 1 d . . . A 4
C6N C -0.0584(2) 1.0637(4) 0.15124(18) 0.0241(14) Uani 1 1 d . . . A 4
C7N C -0.1245(3) 1.1032(5) 0.0972(2) 0.0387(18) Uani 1 1 d . . . A 4
H7N1 H -0.1546 1.0735 0.0849 0.046 Uiso 1 1 calc R U . A 4
H7N2 H -0.1381 1.1532 0.1100 0.046 Uiso 1 1 calc R U . A 4
C8N C -0.0864(3) 1.1377(6) 0.0711(2) 0.045(2) Uani 1 1 d . . . A 4
H8N1 H -0.1049 1.1789 0.0554 0.068 Uiso 1 1 calc R U . A 4
H8N2 H -0.0734 1.0882 0.0582 0.068 Uiso 1 1 calc R U . A 4
H8N3 H -0.0568 1.1677 0.0832 0.068 Uiso 1 1 calc R U . A 4
C9N C -0.0472(3) 1.1532(5) 0.15944(18) 0.0285(15) Uani 1 1 d . . . A 4
H9N H -0.0666 1.1973 0.1471 0.034 Uiso 1 1 calc R U . A 4
C10N C -0.0097(2) 1.1795(4) 0.18431(17) 0.0241(14) Uani 1 1 d . . . A 4
C11N C 0.0519(2) 1.1801(4) 0.22642(18) 0.0203(13) Uani 1 1 d . . . A 4
C12N C 0.0425(3) 1.2700(4) 0.2178(2) 0.0298(16) Uani 1 1 d . . . A 4
C13N C 0.0036(3) 1.2699(5) 0.19133(19) 0.0284(15) Uani 1 1 d . . . A 4
C14N C 0.1023(2) 1.0622(5) 0.25959(17) 0.0239(14) Uani 1 1 d . . . A 4
C15N C 0.1441(2) 1.0351(5) 0.28440(17) 0.0242(14) Uani 1 1 d . . . A 4
C16N C 0.1437(2) 0.9448(5) 0.28446(17) 0.0239(14) Uani 1 1 d . . . A 4
C17N C 0.1019(2) 0.9156(4) 0.25923(16) 0.0217(14) Uani 1 1 d . . . A 4
C18N C 0.1818(3) 0.8814(5) 0.30382(19) 0.0308(16) Uani 1 1 d . . . A 4
H18A H 0.1626 0.8285 0.3105 0.037 Uiso 1 1 calc R U . A 4
H18B H 0.1969 0.9103 0.3248 0.037 Uiso 1 1 calc R U . A 4
C19N C 0.2270(3) 0.8537(6) 0.2813(2) 0.046(2) Uani 1 1 d . . . A 4
H19A H 0.2506 0.8132 0.2941 0.070 Uiso 1 1 calc R U . A 4
H19B H 0.2464 0.9060 0.2751 0.070 Uiso 1 1 calc R U . A 4
H19C H 0.2121 0.8246 0.2607 0.070 Uiso 1 1 calc R U . A 4
C20N C 0.1819(3) 1.0985(5) 0.30436(18) 0.0286(15) Uani 1 1 d . . . A 4
H20A H 0.1966 1.0693 0.3253 0.034 Uiso 1 1 calc R U . A 4
H20B H 0.1624 1.1512 0.3111 0.034 Uiso 1 1 calc R U . A 4
C21N C 0.2277(3) 1.1273(6) 0.2823(2) 0.049(2) Uani 1 1 d . . . A 4
H21A H 0.2511 1.1676 0.2955 0.073 Uiso 1 1 calc R U . A 4
H21B H 0.2132 1.1569 0.2617 0.073 Uiso 1 1 calc R U . A 4
H21C H 0.2474 1.0753 0.2760 0.073 Uiso 1 1 calc R U . A 4
C22N C 0.0897(2) 0.8308(4) 0.25160(18) 0.0250(14) Uani 1 1 d . . . A 4
H22N H 0.1081 0.7869 0.2647 0.030 Uiso 1 1 calc R U . A 4
C23N C 0.0519(2) 0.8013(4) 0.22597(17) 0.0232(14) Uani 1 1 d . . . A 4
C24N C -0.0107(2) 0.8040(4) 0.18440(17) 0.0223(14) Uani 1 1 d . . . A 4
C25N C -0.0483(3) 0.8298(4) 0.15948(17) 0.0243(14) Uani 1 1 d . . . A 4
H25N H -0.0678 0.7853 0.1473 0.029 Uiso 1 1 calc R U . A 4
C26N C 0.0024(3) 0.7109(4) 0.19165(19) 0.0283(15) Uani 1 1 d . . . A 4
C27N C -0.0215(3) 0.6340(5) 0.1707(2) 0.0396(19) Uani 1 1 d . . . A 4
H27A H -0.0157 0.5791 0.1839 0.048 Uiso 1 1 calc R U . A 4
H27B H -0.0598 0.6431 0.1671 0.048 Uiso 1 1 calc R U . A 4
C28N C 0.0012(4) 0.6233(6) 0.1362(3) 0.054(2) Uani 1 1 d . . . A 4
H28A H -0.0157 0.5737 0.1240 0.081 Uiso 1 1 calc R U . A 4
H28B H 0.0389 0.6124 0.1395 0.081 Uiso 1 1 calc R U . A 4
H28C H -0.0049 0.6771 0.1228 0.081 Uiso 1 1 calc R U . A 4
C29N C 0.0898(2) 1.1506(4) 0.25204(18) 0.0235(14) Uani 1 1 d . . . A 4
H29N H 0.1083 1.1942 0.2652 0.028 Uiso 1 1 calc R U . A 4
C30N C 0.0415(3) 0.7112(5) 0.21731(19) 0.0314(16) Uani 1 1 d . . . A 4
C31N C 0.0708(3) 0.6328(5) 0.2342(2) 0.0388(19) Uani 1 1 d . . . A 4
H31A H 0.0504 0.5785 0.2295 0.047 Uiso 1 1 calc R U . A 4
H31B H 0.0740 0.6416 0.2592 0.047 Uiso 1 1 calc R U . A 4
C32N C 0.1270(3) 0.6215(5) 0.2211(3) 0.048(2) Uani 1 1 d . . . A 4
H32A H 0.1445 0.5713 0.2325 0.071 Uiso 1 1 calc R U . A 4
H32B H 0.1475 0.6749 0.2260 0.071 Uiso 1 1 calc R U . A 4
H32C H 0.1239 0.6113 0.1965 0.071 Uiso 1 1 calc R U . A 4
C33N C -0.0194(3) 1.3499(5) 0.1703(2) 0.042(2) Uani 1 1 d . . . A 4
H33A H -0.0578 1.3431 0.1668 0.051 Uiso 1 1 calc R U . A 4
H33B H -0.0123 1.4044 0.1835 0.051 Uiso 1 1 calc R U . A 4
C34N C 0.0039(4) 1.3589(6) 0.1355(3) 0.052(2) Uani 1 1 d . . . A 4
H34A H -0.0119 1.4095 0.1234 0.078 Uiso 1 1 calc R U . A 4
H34B H -0.0035 1.3055 0.1222 0.078 Uiso 1 1 calc R U . A 4
H34C H 0.0418 1.3673 0.1389 0.078 Uiso 1 1 calc R U . A 4
C35N C 0.0719(3) 1.3491(5) 0.2346(2) 0.0377(19) Uani 1 1 d . . . A 4
H35A H 0.0745 1.3410 0.2596 0.045 Uiso 1 1 calc R U . A 4
H35B H 0.0514 1.4032 0.2294 0.045 Uiso 1 1 calc R U . A 4
C36N C 0.1279(3) 1.3608(6) 0.2222(3) 0.050(2) Uani 1 1 d . . . A 4
H36A H 0.1446 1.4118 0.2335 0.075 Uiso 1 1 calc R U . A 4
H36B H 0.1255 1.3699 0.1976 0.075 Uiso 1 1 calc R U . A 4
H36C H 0.1486 1.3081 0.2278 0.075 Uiso 1 1 calc R U . A 4
C1W C 0.2314(5) 0.4956(6) 0.1158(3) 0.057(3) Uani 1 1 d . . . . .
H1W H 0.2678 0.4986 0.1223 0.068 Uiso 1 1 calc R U . . .
C2W C 0.1947(5) 0.4939(7) 0.1400(3) 0.061(3) Uani 1 1 d . . . . .
H2W H 0.2069 0.4960 0.1632 0.073 Uiso 1 1 calc R U . . .
C3W C 0.1390(5) 0.4891(7) 0.1317(3) 0.065(3) Uani 1 1 d . . . . .
H3W H 0.1146 0.4879 0.1487 0.078 Uiso 1 1 calc R U . . .
C4W C 0.1228(5) 0.4863(8) 0.0956(3) 0.076(4) Uani 1 1 d . . . . .
H4W H 0.0867 0.4836 0.0887 0.091 Uiso 1 1 calc R U . . .
C5W C -0.0313(6) 1.3585(9) 0.0284(4) 0.087(4) Uani 1 1 d D . . . .
H5W H -0.0511 1.3493 0.0476 0.104 Uiso 1 1 calc R U . . .
C6W C 0.0208(8) 1.3511(12) 0.0310(4) 0.125(7) Uani 1 1 d . . . . .
H6W H 0.0388 1.3425 0.0527 0.151 Uiso 1 1 calc R U . . .
C8W C 0.0266(6) 1.3672(9) -0.0297(4) 0.082(4) Uani 1 1 d . . . . .
H8W H 0.0455 1.3671 -0.0496 0.099 Uiso 1 1 calc R U . . .
C9W C 0.2133(5) 0.4926(6) 0.0812(2) 0.058(3) Uani 1 1 d . . . . .
H9W H 0.2377 0.4941 0.0642 0.070 Uiso 1 1 calc R U . . .
C10W C 0.1585(6) 0.4874(8) 0.0716(3) 0.081(4) Uani 1 1 d . . . . .
H10W H 0.1468 0.4848 0.0482 0.097 Uiso 1 1 calc R U . . .
C11W C -0.0238(7) 1.3781(12) -0.0321(4) 0.112(5) Uani 1 1 d . . . . .
H11W H -0.0407 1.3851 -0.0542 0.134 Uiso 1 1 calc R U . . .
C12W C 0.0508(6) 1.3564(13) -0.0003(6) 0.140(8) Uani 1 1 d . . . . .
H12W H 0.0878 1.3518 0.0016 0.168 Uiso 1 1 calc R U . . .
C13W C -0.0558(6) 1.3803(11) -0.0033(4) 0.117(6) Uani 1 1 d D . . . .
H13W H -0.0917 1.3958 -0.0058 0.140 Uiso 1 1 calc R U . . .
U2 U 0.15047(5) 0.89640(7) 0.09284(4) 0.0371(4) Uani 0.456(3) 1 d . . P B 2
U8 U 0.1493(12) 1.144(2) 0.0943(7) 0.0371(4) Uani 0.0140(13) 1 d . . P B 2
U9 U 0.1808(3) 0.8635(5) 0.0862(3) 0.0371(4) Uani 0.0414(10) 1 d . . P B 2
U10 U 0.1738(5) 1.1138(7) 0.1092(4) 0.111(3) Uani 0.078(2) 1 d . U P B 2
U3 U 0.15023(13) 1.0916(3) 0.09300(11) 0.0742(14) Uani 0.181(3) 1 d . U P B 2
U1 U 0.1725(4) 0.8764(4) 0.1075(2) 0.054(2) Uani 0.083(2) 1 d . . P B 2
U5 U 0.12965(19) 0.9842(7) 0.08174(19) 0.171(5) Uani 0.146(2) 1 d . . P B 2
C1A C 0.2627(8) 1.2283(10) 0.1028(5) 0.103(5) Uani 0.745(8) 1 d D U P C 1
C2A C 0.2710(8) 1.2030(11) 0.1372(5) 0.089(5) Uani 0.745(8) 1 d D U P C 1
C3A C 0.2172(9) 1.1905(12) 0.1568(5) 0.089(5) Uani 0.745(8) 1 d D U P C 1
C4A C 0.1719(8) 1.2113(11) 0.1393(5) 0.098(5) Uani 0.745(8) 1 d D U P C 1
C5A C 0.1694(9) 1.2430(13) 0.1041(6) 0.120(6) Uani 0.745(8) 1 d D U P C 1
C6A C 0.1231(8) 1.1584(11) 0.1442(4) 0.093(5) Uani 0.745(8) 1 d D U P C 1
C7A C 0.1275(7) 1.0815(12) 0.1672(5) 0.071(4) Uani 0.745(8) 1 d D U P C 1
C8A C 0.1757(6) 1.0765(12) 0.1867(4) 0.080(4) Uani 0.745(8) 1 d D U P C 1
C9A C 0.2222(7) 1.1319(11) 0.1820(4) 0.089(5) Uani 0.745(8) 1 d D U P C 1
C10A C 0.1925(7) 0.9827(11) 0.1952(4) 0.077(4) Uani 0.745(8) 1 d D U P C 1
C11A C 0.2531(7) 0.9841(11) 0.1989(4) 0.084(4) Uani 0.745(8) 1 d D U P C 1
C12A C 0.2715(6) 1.0735(13) 0.1884(4) 0.090(5) Uani 0.745(8) 1 d D U P C 1
C13A C 0.0917(7) 1.1545(13) 0.1113(6) 0.116(5) Uani 0.745(8) 1 d D U P C 1
C14A C 0.0664(8) 1.0776(16) 0.1017(7) 0.104(5) Uani 0.745(8) 1 d D U P C 1
C15A C 0.0658(6) 1.0094(11) 0.1263(5) 0.093(5) Uani 0.745(8) 1 d D U P C 1
C16A C 0.0985(6) 1.0088(10) 0.1579(4) 0.073(4) Uani 0.745(8) 1 d D U P C 1
C17A C 0.0594(6) 0.9150(13) 0.1133(4) 0.091(5) Uani 0.745(8) 1 d D U P C 1
C18A C 0.0600(5) 0.9589(12) 0.0558(5) 0.091(5) Uani 0.745(8) 1 d D U P C 1
C19A C 0.0839(8) 0.8037(12) 0.0676(5) 0.116(5) Uani 0.745(8) 1 d D U P C 1
C20A C 0.1182(6) 0.9210(11) 0.1663(4) 0.072(4) Uani 0.745(8) 1 d D U P C 1
C21A C 0.0909(7) 0.8572(11) 0.1411(5) 0.097(5) Uani 0.745(8) 1 d D U P C 1
C22A C 0.1670(8) 0.9024(14) 0.1838(5) 0.085(4) Uani 0.745(8) 1 d D U P C 1
C23A C 0.1979(9) 0.8280(13) 0.1735(5) 0.095(5) Uani 0.745(8) 1 d D U P C 1
C25A C 0.3258(6) 0.9172(13) 0.1678(4) 0.091(5) Uani 0.745(8) 1 d D U P C 1
C26A C 0.1724(8) 0.7717(12) 0.1452(5) 0.108(5) Uani 0.745(8) 1 d D U P C 1
C27A C 0.3465(5) 1.1082(10) 0.1151(4) 0.081(4) Uani 0.745(8) 1 d D U P C 1
C28A C 0.3159(7) 1.1448(11) 0.1437(5) 0.092(5) Uani 0.745(8) 1 d D U P C 1
C29A C 0.2938(7) 1.1932(10) 0.0748(5) 0.094(5) Uani 0.745(8) 1 d D U P C 1
C30A C 0.0924(6) 1.1038(13) 0.0389(5) 0.098(5) Uani 0.745(8) 1 d D U P C 1
C31A C 0.1241(8) 1.0635(13) 0.0130(5) 0.105(5) Uani 0.745(8) 1 d D U P C 1
C32A C 0.1300(8) 0.9738(14) 0.0084(5) 0.107(5) Uani 0.745(8) 1 d D U P C 1
C33A C 0.0934(7) 0.9276(14) 0.0284(5) 0.107(5) Uani 0.745(8) 1 d D U P C 1
C35A C 0.1536(7) 0.7988(13) 0.0297(5) 0.110(5) Uani 0.745(8) 1 d D U P C 1
C36A C 0.2580(8) 1.1347(11) 0.0191(4) 0.102(5) Uani 0.745(8) 1 d D U P C 1
C37A C 0.2086(8) 1.0899(14) 0.0014(5) 0.104(5) Uani 0.745(8) 1 d D U P C 1
C39A C 0.2011(7) 0.7289(10) 0.1176(6) 0.108(5) Uani 0.745(8) 1 d D U P C 1
C40A C 0.2556(9) 0.7538(13) 0.1186(6) 0.104(5) Uani 0.745(8) 1 d D U P C 1
C41A C 0.2747(9) 0.7898(12) 0.1467(5) 0.108(5) Uani 0.745(8) 1 d D U P C 1
C42A C 0.3218(7) 0.8426(13) 0.1422(5) 0.096(5) Uani 0.745(8) 1 d D U P C 1
C44A C 0.2440(6) 0.8377(11) 0.0224(4) 0.092(5) Uani 0.745(8) 1 d D U P C 1
C45A C 0.2855(8) 0.9010(16) 0.0251(5) 0.095(5) Uani 0.745(8) 1 d D U P C 1
C46A C 0.2774(7) 0.9842(11) 0.0111(4) 0.085(4) Uani 0.745(8) 1 d D U P C 1
C47A C 0.2215(8) 0.9988(11) -0.0025(4) 0.088(5) Uani 0.745(8) 1 d D U P C 1
C48A C 0.1833(7) 0.8576(11) 0.0096(4) 0.090(5) Uani 0.745(8) 1 d D U P C 1
C49A C 0.1865(9) 0.9346(16) -0.0012(5) 0.100(5) Uani 0.745(8) 1 d D U P C 1
C50A C 0.3270(6) 0.8964(12) 0.0525(4) 0.089(4) Uani 0.745(8) 1 d D U P C 1
C51A C 0.3508(7) 0.9816(12) 0.0669(5) 0.089(5) Uani 0.745(8) 1 d D U P C 1
C52A C 0.3369(7) 1.0606(15) 0.0555(5) 0.090(5) Uani 0.745(8) 1 d D U P C 1
C53A C 0.2954(7) 1.0690(13) 0.0252(4) 0.100(5) Uani 0.745(8) 1 d D U P C 1
C54A C 0.3232(7) 0.8311(11) 0.0798(5) 0.088(5) Uani 0.745(8) 1 d D U P C 1
C55A C 0.2767(7) 0.7677(11) 0.0823(5) 0.094(5) Uani 0.745(8) 1 d D U P C 1
C56A C 0.3462(6) 0.8653(11) 0.1118(4) 0.082(4) Uani 0.745(8) 1 d D U P C 1
C57A C 0.3633(6) 0.9619(12) 0.1048(4) 0.085(4) Uani 0.745(8) 1 d D U P C 1
C58A C 0.3634(7) 1.0150(11) 0.1245(5) 0.097(5) Uani 0.745(8) 1 d D U P C 1
C59A C 0.3281(7) 1.1386(13) 0.0811(5) 0.089(5) Uani 0.745(8) 1 d D U P C 1
C60A C 0.2560(8) 1.1988(11) 0.0425(4) 0.098(5) Uani 0.745(8) 1 d D U P C 1
C61A C 0.2045(9) 1.2317(13) 0.0498(5) 0.116(6) Uani 0.745(8) 1 d D U P C 1
C62A C 0.1652(8) 1.2006(12) 0.0345(5) 0.109(5) Uani 0.745(8) 1 d D U P C 1
C63A C 0.1704(7) 1.1267(13) 0.0096(4) 0.096(5) Uani 0.745(8) 1 d D U P C 1
C64A C 0.1166(9) 1.1848(14) 0.0518(6) 0.129(6) Uani 0.745(8) 1 d D U P C 1
C65A C 0.1163(10) 1.2131(16) 0.0865(5) 0.130(6) Uani 0.745(8) 1 d D U P C 1
C66A C 0.2087(9) 1.2547(12) 0.0883(6) 0.122(6) Uani 0.745(8) 1 d D U P C 1
C67A C 0.0624(7) 1.0562(15) 0.0643(5) 0.092(5) Uani 0.745(8) 1 d D U P C 1
C68A C 0.0575(7) 0.8881(14) 0.0822(5) 0.111(5) Uani 0.745(8) 1 d D U P C 1
C70A C 0.1127(7) 0.7523(11) 0.0942(5) 0.102(5) Uani 0.745(8) 1 d D U P C 1
C71A C 0.1160(7) 0.7876(12) 0.1308(5) 0.110(5) Uani 0.745(8) 1 d D U P C 1
C72A C 0.2439(7) 0.7743(13) 0.0490(5) 0.109(5) Uani 0.745(8) 1 d D U P C 1
C73A C 0.1881(8) 0.7468(10) 0.0550(4) 0.096(5) Uani 0.745(8) 1 d D U P C 1
C74A C 0.1692(8) 0.7276(11) 0.0857(5) 0.108(5) Uani 0.745(8) 1 d D U P C 1
C75A C 0.1094(8) 0.8314(14) 0.0372(6) 0.123(6) Uani 0.745(8) 1 d D U P C 1
C76A C 0.2450(8) 0.8340(13) 0.1752(5) 0.111(5) Uani 0.745(8) 1 d D U P C 1
C77A C 0.2758(8) 0.9097(14) 0.1885(4) 0.104(5) Uani 0.745(8) 1 d D U P C 1
C78A C 0.3438(7) 0.9932(11) 0.1602(4) 0.086(5) Uani 0.745(8) 1 d D U P C 1
C79A C 0.3158(7) 1.0751(12) 0.1706(4) 0.094(5) Uani 0.745(8) 1 d D U P C 1
C1 C 0.3219(19) 1.124(3) 0.1443(11) 0.130(10) Uani 0.255(8) 1 d D U P C 3
C2 C 0.3335(17) 1.038(2) 0.1566(10) 0.123(10) Uani 0.255(8) 1 d D U P C 3
C3 C 0.2911(15) 0.995(2) 0.1816(11) 0.116(9) Uani 0.255(8) 1 d D U P C 3
C4 C 0.2530(12) 1.049(2) 0.1908(13) 0.121(10) Uani 0.255(8) 1 d D U P C 3
C5 C 0.2486(13) 1.141(2) 0.1781(12) 0.119(10) Uani 0.255(8) 1 d D U P C 3
C6 C 0.1982(13) 1.014(2) 0.1937(13) 0.114(10) Uani 0.255(8) 1 d D U P C 3
C7 C 0.1861(13) 0.920(2) 0.1873(12) 0.111(9) Uani 0.255(8) 1 d D U P C 3
C8 C 0.2319(12) 0.871(2) 0.1826(9) 0.107(9) Uani 0.255(8) 1 d D U P C 3
C9 C 0.2853(14) 0.908(2) 0.1791(10) 0.121(10) Uani 0.255(8) 1 d D U P C 3
C10 C 0.2216(11) 0.802(3) 0.1547(9) 0.109(9) Uani 0.255(8) 1 d D U P C 3
C11 C 0.2746(14) 0.785(3) 0.1387(9) 0.117(10) Uani 0.255(8) 1 d D U P C 3
C12 C 0.3118(14) 0.856(3) 0.1513(10) 0.122(10) Uani 0.255(8) 1 d D U P C 3
C13 C 0.1607(12) 1.082(3) 0.1811(13) 0.115(10) Uani 0.255(8) 1 d D U P C 3
C14 C 0.1158(19) 1.059(3) 0.1624(13) 0.105(10) Uani 0.255(8) 1 d D U P C 3
C15 C 0.1017(16) 0.970(2) 0.1603(10) 0.098(9) Uani 0.255(8) 1 d D U P C 3
C16 C 0.1389(14) 0.901(2) 0.1699(10) 0.108(10) Uani 0.255(8) 1 d D U P C 3
C17 C 0.0679(15) 0.941(2) 0.1290(9) 0.108(9) Uani 0.255(8) 1 d D U P C 3
C18 C 0.0578(18) 1.087(2) 0.1087(7) 0.109(9) Uani 0.255(8) 1 d D U P C 3
C19 C 0.0428(17) 0.969(2) 0.0659(8) 0.122(10) Uani 0.255(8) 1 d D U P C 3
C20 C 0.1324(13) 0.827(2) 0.1462(9) 0.112(9) Uani 0.255(8) 1 d D U P C 3
C21 C 0.0865(14) 0.846(3) 0.1202(9) 0.116(9) Uani 0.255(8) 1 d D U P C 3
C22 C 0.1757(14) 0.783(4) 0.1330(10) 0.119(9) Uani 0.255(8) 1 d D U P C 3
C23 C 0.1772(14) 0.747(3) 0.0990(9) 0.128(10) Uani 0.255(8) 1 d D U P C 3
C25 C 0.3054(14) 0.807(3) 0.0804(9) 0.122(9) Uani 0.255(8) 1 d D U P C 3
C26 C 0.1302(14) 0.768(3) 0.0734(9) 0.132(10) Uani 0.255(8) 1 d D U P C 3
C27 C 0.3614(18) 1.021(2) 0.0944(8) 0.118(9) Uani 0.255(8) 1 d D U P C 3
C28 C 0.3557(19) 0.985(2) 0.1301(8) 0.125(10) Uani 0.255(8) 1 d D U P C 3
C29 C 0.3286(16) 1.159(3) 0.1090(8) 0.133(10) Uani 0.255(8) 1 d D U P C 3
C30 C 0.1210(13) 1.203(3) 0.1260(9) 0.113(9) Uani 0.255(8) 1 d D U P C 3
C31 C 0.1267(15) 1.232(3) 0.0907(8) 0.133(10) Uani 0.255(8) 1 d D U P C 3
C32 C 0.1024(17) 1.190(3) 0.0625(9) 0.130(10) Uani 0.255(8) 1 d D U P C 3
C33 C 0.0666(17) 1.125(2) 0.0741(8) 0.110(9) Uani 0.255(8) 1 d D U P C 3
C35 C 0.0900(14) 1.035(2) 0.0240(10) 0.116(9) Uani 0.255(8) 1 d D U P C 3
C36 C 0.2618(14) 1.245(3) 0.0720(9) 0.135(10) Uani 0.255(8) 1 d D U P C 3
C37 C 0.2022(14) 1.266(3) 0.0642(9) 0.143(10) Uani 0.255(8) 1 d D U P C 3
C39 C 0.1367(14) 0.803(3) 0.0381(9) 0.137(10) Uani 0.255(8) 1 d D U P C 3
C40 C 0.1893(14) 0.812(3) 0.0275(11) 0.134(10) Uani 0.255(8) 1 d D U P C 3
C41 C 0.2228(13) 0.774(3) 0.0490(9) 0.127(9) Uani 0.255(8) 1 d D U P C 3
C42 C 0.2746(14) 0.815(3) 0.0465(8) 0.120(9) Uani 0.255(8) 1 d D U P C 3
C44 C 0.1705(12) 1.065(2) -0.0027(10) 0.117(9) Uani 0.255(8) 1 d D U P C 3
C45 C 0.2245(14) 1.091(3) 0.0035(13) 0.120(9) Uani 0.255(8) 1 d D U P C 3
C46 C 0.2317(13) 1.161(3) 0.0255(12) 0.126(10) Uani 0.255(8) 1 d D U P C 3
C47 C 0.1860(12) 1.214(3) 0.0353(11) 0.136(10) Uani 0.255(8) 1 d D U P C 3
C48 C 0.1237(15) 1.106(2) 0.0186(13) 0.124(10) Uani 0.255(8) 1 d D U P C 3
C49 C 0.1383(15) 1.179(3) 0.0297(10) 0.129(10) Uani 0.255(8) 1 d D U P C 3
C50 C 0.2676(14) 1.028(2) 0.0047(10) 0.118(9) Uani 0.255(8) 1 d D U P C 3
C51 C 0.3144(15) 1.045(2) 0.0302(10) 0.114(9) Uani 0.255(8) 1 d D U P C 3
C52 C 0.3211(15) 1.117(3) 0.0493(9) 0.113(9) Uani 0.255(8) 1 d D U P C 3
C53 C 0.2775(13) 1.188(3) 0.0469(11) 0.126(10) Uani 0.255(8) 1 d D U P C 3
C54 C 0.2561(13) 0.932(2) 0.0037(9) 0.118(9) Uani 0.255(8) 1 d D U P C 3
C55 C 0.2004(13) 0.894(3) 0.0043(13) 0.124(9) Uani 0.255(8) 1 d D U P C 3
C56 C 0.2929(16) 0.886(2) 0.0273(11) 0.117(7) Uani 0.255(8) 1 d D U P C 3
C57 C 0.3330(14) 0.955(2) 0.0432(9) 0.117(7) Uani 0.255(8) 1 d D U P C 3
C58 C 0.3528(18) 0.946(2) 0.0691(7) 0.119(9) Uani 0.255(8) 1 d D U P C 3
C59 C 0.3452(18) 1.111(2) 0.0874(8) 0.117(10) Uani 0.255(8) 1 d D U P C 3
C60 C 0.2878(15) 1.233(3) 0.1023(8) 0.136(10) Uani 0.255(8) 1 d D U P C 3
C61 C 0.2539(15) 1.235(3) 0.1305(10) 0.128(10) Uani 0.255(8) 1 d D U P C 3
C62 C 0.2081(12) 1.257(3) 0.1247(9) 0.125(10) Uani 0.255(8) 1 d D U P C 3
C63 C 0.1810(14) 1.274(3) 0.0901(8) 0.137(10) Uani 0.255(8) 1 d D U P C 3
C64 C 0.1695(14) 1.219(3) 0.1468(9) 0.121(10) Uani 0.255(8) 1 d D U P C 3
C65 C 0.1895(13) 1.165(2) 0.1743(10) 0.113(9) Uani 0.255(8) 1 d D U P C 3
C66 C 0.2786(15) 1.176(3) 0.1593(9) 0.125(10) Uani 0.255(8) 1 d D U P C 3
C67 C 0.0914(14) 1.126(2) 0.1382(9) 0.099(9) Uani 0.255(8) 1 d D U P C 3
C68 C 0.0479(18) 0.990(2) 0.1050(8) 0.110(9) Uani 0.255(8) 1 d D U P C 3
C70 C 0.0628(14) 0.881(2) 0.0590(9) 0.131(10) Uani 0.255(8) 1 d D U P C 3
C71 C 0.0877(17) 0.825(3) 0.0882(8) 0.129(10) Uani 0.255(8) 1 d D U P C 3
C72 C 0.1644(14) 0.973(2) -0.0016(12) 0.123(10) Uani 0.255(8) 1 d D U P C 3
C73 C 0.1128(16) 0.949(2) 0.0132(13) 0.122(10) Uani 0.255(8) 1 d D U P C 3
C74 C 0.1008(17) 0.876(3) 0.0303(10) 0.132(10) Uani 0.255(8) 1 d D U P C 3
C75 C 0.0599(17) 1.047(2) 0.0483(8) 0.114(10) Uani 0.255(8) 1 d D U P C 3
C76 C 0.2188(13) 0.742(3) 0.0863(9) 0.123(9) Uani 0.255(8) 1 d D U P C 3
C77 C 0.2689(14) 0.763(3) 0.1054(7) 0.122(9) Uani 0.255(8) 1 d D U P C 3
C78 C 0.3407(17) 0.863(2) 0.0904(8) 0.116(9) Uani 0.255(8) 1 d D U P C 3
C79 C 0.3431(17) 0.889(2) 0.1274(8) 0.123(10) Uani 0.255(8) 1 d D U P C 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
Ni1 N2 1.946(5) . ?
Ni1 N1 1.954(6) . ?
Ni1 N3 1.966(6) . ?
Ni1 N4 1.967(5) . ?
N4 C24N 1.371(8) . ?
N4 C23N 1.373(8) . ?
N3 C14N 1.356(8) . ?
N3 C17N 1.405(8) . ?
N1 C6N 1.366(8) . ?
N1 C1N 1.396(8) . ?
N2 C11N 1.384(8) . ?
N2 C10N 1.398(8) . ?
C1N C25N 1.381(9) . ?
C1N C2N 1.430(9) . ?
C2N C5N 1.360(11) . ?
C2N C3N 1.497(9) . ?
C3N C4N 1.511(12) . ?
C5N C6N 1.445(9) . ?
C5N C7N 1.552(10) . ?
C6N C9N 1.396(10) . ?
C7N C8N 1.528(12) . ?
C9N C10N 1.355(9) . ?
C10N C13N 1.411(9) . ?
C11N C29N 1.396(9) . ?
C11N C12N 1.397(9) . ?
C12N C13N 1.362(10) . ?
C12N C35N 1.514(9) . ?
C13N C33N 1.534(10) . ?
C14N C29N 1.381(9) . ?
C14N C15N 1.428(9) . ?
C15N C16N 1.348(10) . ?
C15N C20N 1.513(9) . ?
C16N C17N 1.448(9) . ?
C16N C18N 1.506(9) . ?
C17N C22N 1.331(9) . ?
C18N C19N 1.533(10) . ?
C20N C21N 1.539(10) . ?
C22N C23N 1.393(9) . ?
C23N C30N 1.404(10) . ?
C24N C25N 1.357(9) . ?
C24N C26N 1.450(9) . ?
C26N C30N 1.345(10) . ?
C26N C27N 1.503(10) . ?
C27N C28N 1.498(13) . ?
C30N C31N 1.508(10) . ?
C31N C32N 1.540(11) . ?
C33N C34N 1.509(13) . ?
C35N C36N 1.525(11) . ?
C1W C2W 1.359(15) . ?
C1W C9W 1.380(14) . ?
C2W C3W 1.413(16) . ?
C3W C4W 1.426(16) . ?
C4W C10W 1.334(18) . ?
C5W C6W 1.31(2) . ?
C5W C13W 1.372(10) . ?
C6W C12W 1.47(2) . ?
C8W C12W 1.26(2) . ?
C8W C11W 1.27(2) . ?
C9W C10W 1.403(17) . ?
C11W C13W 1.42(2) . ?
U2 U1 0.821(10) . ?
U2 U9 0.957(9) . ?
U2 U5 1.464(10) . ?
U2 U3 2.912(5) . ?
U2 U10 3.349(11) . ?
U2 U8 3.69(4) . ?
U8 U3 0.78(3) . ?
U8 U10 0.93(4) . ?
U8 U5 2.47(3) . ?
U8 U1 4.06(4) . ?
U9 U1 0.885(10) . ?
U9 U5 2.212(13) . ?
U9 U3 3.502(10) . ?
U9 U10 3.846(13) . ?
U10 U3 0.894(13) . ?
U10 U5 2.435(15) . ?
U10 U1 3.543(12) . ?
U3 U5 1.729(10) . ?
U3 U1 3.300(8) . ?
U1 U5 2.142(14) . ?
C1A C2A 1.38(2) . ?
C1A C29A 1.47(2) . ?
C1A C66A 1.48(2) . ?
C2A C28A 1.43(3) . ?
C2A C3A 1.60(3) . ?
C3A C9A 1.31(2) . ?
C3A C4A 1.32(2) . ?
C4A C5A 1.44(2) . ?
C4A C6A 1.48(2) . ?
C5A C66A 1.21(3) . ?
C5A C65A 1.52(2) . ?
C6A C7A 1.45(2) . ?
C6A C13A 1.45(2) . ?
C7A C16A 1.34(2) . ?
C7A C8A 1.38(2) . ?
C8A C9A 1.453(18) . ?
C8A C10A 1.492(18) . ?
C9A C12A 1.52(2) . ?
C10A C22A 1.41(2) . ?
C10A C11A 1.517(19) . ?
C11A C77A 1.32(2) . ?
C11A C12A 1.477(19) . ?
C12A C79A 1.35(2) . ?
C13A C14A 1.35(3) . ?
C13A C65A 1.46(2) . ?
C14A C15A 1.39(3) . ?
C14A C67A 1.48(3) . ?
C15A C16A 1.42(2) . ?
C15A C17A 1.499(18) . ?
C16A C20A 1.429(18) . ?
C17A C68A 1.26(2) . ?
C17A C21A 1.550(18) . ?
C18A C68A 1.47(2) . ?
C18A C33A 1.48(2) . ?
C18A C67A 1.49(3) . ?
C19A C70A 1.44(2) . ?
C19A C75A 1.44(2) . ?
C19A C68A 1.55(2) . ?
C20A C22A 1.39(2) . ?
C20A C21A 1.492(18) . ?
C21A C71A 1.29(2) . ?
C22A C23A 1.43(3) . ?
C23A C76A 1.18(2) . ?
C23A C26A 1.49(3) . ?
C25A C78A 1.26(2) . ?
C25A C42A 1.489(19) . ?
C25A C77A 1.54(2) . ?
C26A C39A 1.48(2) . ?
C26A C71A 1.50(2) . ?
C27A C59A 1.44(2) . ?
C27A C28A 1.491(19) . ?
C27A C58A 1.493(19) . ?
C28A C79A 1.471(19) . ?
C29A C59A 1.20(2) . ?
C29A C60A 1.517(19) . ?
C30A C64A 1.43(2) . ?
C30A C31A 1.45(2) . ?
C30A C67A 1.46(3) . ?
C31A C32A 1.36(2) . ?
C31A C63A 1.51(2) . ?
C32A C33A 1.42(2) . ?
C32A C49A 1.60(2) . ?
C33A C75A 1.52(2) . ?
C35A C75A 1.26(2) . ?
C35A C48A 1.416(19) . ?
C35A C73A 1.48(2) . ?
C36A C60A 1.32(2) . ?
C36A C53A 1.37(2) . ?
C36A C37A 1.53(2) . ?
C37A C63A 1.17(2) . ?
C37A C47A 1.408(19) . ?
C39A C40A 1.42(3) . ?
C39A C74A 1.42(2) . ?
C40A C41A 1.27(3) . ?
C40A C55A 1.55(2) . ?
C41A C42A 1.44(2) . ?
C41A C76A 1.52(2) . ?
C42A C56A 1.40(2) . ?
C44A C72A 1.399(19) . ?
C44A C45A 1.41(3) . ?
C44A C48A 1.596(19) . ?
C45A C46A 1.36(2) . ?
C45A C50A 1.43(3) . ?
C46A C53A 1.437(19) . ?
C46A C47A 1.48(2) . ?
C47A C49A 1.30(2) . ?
C48A C49A 1.23(3) . ?
C50A C54A 1.444(19) . ?
C50A C51A 1.494(19) . ?
C51A C52A 1.30(3) . ?
C51A C57A 1.50(2) . ?
C52A C53A 1.52(3) . ?
C52A C59A 1.55(2) . ?
C54A C56A 1.422(19) . ?
C54A C55A 1.51(2) . ?
C55A C72A 1.48(2) . ?
C56A C57A 1.534(19) . ?
C57A C58A 1.10(2) . ?
C58A C78A 1.53(2) . ?
C60A C61A 1.43(2) . ?
C61A C62A 1.21(2) . ?
C61A C66A 1.53(2) . ?
C62A C64A 1.45(2) . ?
C62A C63A 1.47(2) . ?
C64A C65A 1.41(3) . ?
C70A C71A 1.50(2) . ?
C70A C74A 1.52(2) . ?
C72A C73A 1.492(19) . ?
C73A C74A 1.34(2) . ?
C76A C77A 1.44(2) . ?
C78A C79A 1.481(19) . ?
C1 C2 1.39(3) . ?
C1 C29 1.48(3) . ?
C1 C66 1.49(3) . ?
C2 C28 1.44(3) . ?
C2 C3 1.62(3) . ?
C3 C9 1.31(3) . ?
C3 C4 1.32(3) . ?
C4 C5 1.45(3) . ?
C4 C6 1.49(3) . ?
C5 C66 1.21(3) . ?
C5 C65 1.52(3) . ?
C6 C13 1.45(3) . ?
C6 C7 1.45(3) . ?
C7 C16 1.35(3) . ?
C7 C8 1.38(3) . ?
C8 C9 1.46(2) . ?
C8 C10 1.50(2) . ?
C9 C12 1.52(3) . ?
C10 C22 1.40(3) . ?
C10 C11 1.52(3) . ?
C11 C77 1.33(3) . ?
C11 C12 1.47(3) . ?
C12 C79 1.35(3) . ?
C13 C14 1.34(3) . ?
C13 C65 1.46(3) . ?
C14 C15 1.38(3) . ?
C14 C67 1.47(3) . ?
C15 C16 1.42(3) . ?
C15 C17 1.49(2) . ?
C16 C20 1.44(2) . ?
C17 C68 1.26(3) . ?
C17 C21 1.54(2) . ?
C18 C68 1.47(3) . ?
C18 C33 1.49(3) . ?
C18 C67 1.49(3) . ?
C19 C75 1.43(3) . ?
C19 C70 1.44(3) . ?
C19 C68 1.54(3) . ?
C20 C22 1.39(3) . ?
C20 C21 1.50(2) . ?
C21 C71 1.28(3) . ?
C22 C23 1.42(3) . ?
C23 C76 1.19(3) . ?
C23 C26 1.52(3) . ?
C25 C78 1.25(3) . ?
C25 C42 1.48(3) . ?
C25 C77 1.53(3) . ?
C26 C39 1.48(3) . ?
C26 C71 1.51(3) . ?
C27 C59 1.43(3) . ?
C27 C58 1.49(3) . ?
C27 C28 1.50(3) . ?
C28 C79 1.47(3) . ?
C29 C59 1.20(3) . ?
C29 C60 1.52(3) . ?
C30 C64 1.43(3) . ?
C30 C31 1.45(3) . ?
C30 C67 1.46(3) . ?
C31 C32 1.36(3) . ?
C31 C63 1.50(3) . ?
C32 C33 1.42(3) . ?
C32 C49 1.61(3) . ?
C33 C75 1.53(3) . ?
C35 C75 1.26(3) . ?
C35 C48 1.38(2) . ?
C35 C73 1.47(3) . ?
C36 C60 1.31(3) . ?
C36 C53 1.37(3) . ?
C36 C37 1.54(3) . ?
C37 C63 1.17(3) . ?
C37 C47 1.40(3) . ?
C39 C40 1.42(3) . ?
C39 C74 1.43(3) . ?
C40 C41 1.27(3) . ?
C40 C55 1.56(3) . ?
C41 C42 1.45(3) . ?
C41 C76 1.53(3) . ?
C42 C56 1.39(3) . ?
C44 C72 1.39(3) . ?
C44 C45 1.42(3) . ?
C44 C48 1.61(3) . ?
C45 C46 1.35(3) . ?
C45 C50 1.43(3) . ?
C46 C53 1.42(3) . ?
C46 C47 1.46(3) . ?
C47 C49 1.31(3) . ?
C48 C49 1.21(3) . ?
C50 C54 1.46(3) . ?
C50 C51 1.50(2) . ?
C51 C52 1.31(3) . ?
C51 C57 1.49(3) . ?
C52 C53 1.52(3) . ?
C52 C59 1.55(3) . ?
C54 C56 1.43(3) . ?
C54 C55 1.51(3) . ?
C55 C72 1.49(3) . ?
C56 C57 1.53(3) . ?
C57 C58 1.10(3) . ?
C58 C78 1.53(3) . ?
C60 C61 1.43(3) . ?
C61 C62 1.20(3) . ?
C61 C66 1.52(3) . ?
C62 C64 1.45(3) . ?
C62 C63 1.48(3) . ?
C64 C65 1.40(3) . ?
C70 C71 1.51(3) . ?
C70 C74 1.52(3) . ?
C72 C73 1.49(3) . ?
C73 C74 1.33(3) . ?
C76 C77 1.45(3) . ?
C78 C79 1.48(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ni1 N1 89.9(2) . . ?
N2 Ni1 N3 89.5(2) . . ?
N1 Ni1 N3 177.9(2) . . ?
N2 Ni1 N4 177.2(2) . . ?
N1 Ni1 N4 90.2(2) . . ?
N3 Ni1 N4 90.3(2) . . ?
C24N N4 C23N 104.2(5) . . ?
C24N N4 Ni1 127.0(4) . . ?
C23N N4 Ni1 128.8(4) . . ?
C14N N3 C17N 104.8(5) . . ?
C14N N3 Ni1 129.0(4) . . ?
C17N N3 Ni1 126.0(4) . . ?
C6N N1 C1N 103.7(6) . . ?
C6N N1 Ni1 128.2(4) . . ?
C1N N1 Ni1 127.9(4) . . ?
C11N N2 C10N 102.0(5) . . ?
C11N N2 Ni1 129.7(4) . . ?
C10N N2 Ni1 128.2(4) . . ?
C25N C1N N1 124.2(6) . . ?
C25N C1N C2N 124.1(6) . . ?
N1 C1N C2N 111.8(6) . . ?
C5N C2N C1N 106.2(6) . . ?
C5N C2N C3N 128.8(6) . . ?
C1N C2N C3N 124.9(6) . . ?
C2N C3N C4N 110.9(6) . . ?
C2N C5N C6N 106.7(6) . . ?
C2N C5N C7N 129.6(6) . . ?
C6N C5N C7N 123.6(6) . . ?
N1 C6N C9N 125.0(6) . . ?
N1 C6N C5N 111.6(6) . . ?
C9N C6N C5N 123.3(6) . . ?
C8N C7N C5N 110.3(6) . . ?
C10N C9N C6N 123.8(6) . . ?
C9N C10N N2 124.7(6) . . ?
C9N C10N C13N 123.8(6) . . ?
N2 C10N C13N 111.6(6) . . ?
N2 C11N C29N 122.1(5) . . ?
N2 C11N C12N 113.3(6) . . ?
C29N C11N C12N 124.6(6) . . ?
C13N C12N C11N 106.1(6) . . ?
C13N C12N C35N 128.6(7) . . ?
C11N C12N C35N 125.2(7) . . ?
C12N C13N C10N 107.0(6) . . ?
C12N C13N C33N 128.2(6) . . ?
C10N C13N C33N 124.6(6) . . ?
N3 C14N C29N 123.8(6) . . ?
N3 C14N C15N 112.3(6) . . ?
C29N C14N C15N 123.9(6) . . ?
C16N C15N C14N 106.2(6) . . ?
C16N C15N C20N 129.0(6) . . ?
C14N C15N C20N 124.7(6) . . ?
C15N C16N C17N 107.7(6) . . ?
C15N C16N C18N 128.6(6) . . ?
C17N C16N C18N 123.4(6) . . ?
C22N C17N N3 125.7(6) . . ?
C22N C17N C16N 125.5(6) . . ?
N3 C17N C16N 108.9(6) . . ?
C16N C18N C19N 110.9(6) . . ?
C15N C20N C21N 111.0(6) . . ?
C17N C22N C23N 126.3(6) . . ?
N4 C23N C22N 122.7(6) . . ?
N4 C23N C30N 112.1(6) . . ?
C22N C23N C30N 125.2(6) . . ?
C25N C24N N4 126.7(6) . . ?
C25N C24N C26N 123.1(6) . . ?
N4 C24N C26N 110.3(6) . . ?
C24N C25N C1N 124.0(6) . . ?
C30N C26N C24N 106.3(6) . . ?
C30N C26N C27N 130.0(7) . . ?
C24N C26N C27N 123.4(6) . . ?
C28N C27N C26N 113.4(7) . . ?
C14N C29N C11N 125.8(6) . . ?
C26N C30N C23N 107.0(6) . . ?
C26N C30N C31N 128.7(7) . . ?
C23N C30N C31N 124.2(6) . . ?
C30N C31N C32N 111.8(6) . . ?
C34N C33N C13N 112.7(7) . . ?
C12N C35N C36N 112.8(7) . . ?
C2W C1W C9W 118.2(11) . . ?
C1W C2W C3W 123.7(10) . . ?
C2W C3W C4W 115.5(10) . . ?
C10W C4W C3W 121.5(12) . . ?
C6W C5W C13W 118.1(13) . . ?
C5W C6W C12W 119.9(15) . . ?
C12W C8W C11W 119.8(14) . . ?
C1W C9W C10W 120.5(10) . . ?
C4W C10W C9W 120.7(11) . . ?
C8W C11W C13W 124.0(15) . . ?
C8W C12W C6W 120.4(15) . . ?
C5W C13W C11W 117.0(13) . . ?
U1 U2 U9 59.1(6) . . ?
U1 U2 U5 137.5(5) . . ?
U9 U2 U5 131.0(6) . . ?
U1 U2 U3 111.3(4) . . ?
U9 U2 U3 121.0(4) . . ?
U5 U2 U3 26.4(2) . . ?
U1 U2 U10 96.9(5) . . ?
U9 U2 U10 114.5(4) . . ?
U5 U2 U10 40.7(4) . . ?
U3 U2 U10 14.4(2) . . ?
U1 U2 U8 111.0(6) . . ?
U9 U2 U8 121.7(6) . . ?
U5 U2 U8 26.7(5) . . ?
U3 U2 U8 0.9(4) . . ?
U10 U2 U8 14.1(5) . . ?
U3 U8 U10 62(3) . . ?
U3 U8 U5 14.9(16) . . ?
U10 U8 U5 77(2) . . ?
U3 U8 U2 3.3(15) . . ?
U10 U8 U2 61(2) . . ?
U5 U8 U2 15.4(4) . . ?
U3 U8 U1 12.4(19) . . ?
U10 U8 U1 51(2) . . ?
U5 U8 U1 26.3(5) . . ?
U2 U8 U1 10.88(18) . . ?
U1 U9 U2 52.8(8) . . ?
U1 U9 U5 73.8(9) . . ?
U2 U9 U5 30.0(4) . . ?
U1 U9 U3 69.6(7) . . ?
U2 U9 U3 45.4(4) . . ?
U5 U9 U3 23.86(19) . . ?
U1 U9 U10 63.7(7) . . ?
U2 U9 U10 52.4(4) . . ?
U5 U9 U10 36.1(3) . . ?
U3 U9 U10 12.92(19) . . ?
U3 U10 U8 50.8(18) . . ?
U3 U10 U5 30.9(7) . . ?
U8 U10 U5 81(2) . . ?
U3 U10 U2 53.8(7) . . ?
U8 U10 U2 105(2) . . ?
U5 U10 U2 23.1(2) . . ?
U3 U10 U1 67.1(8) . . ?
U8 U10 U1 118(2) . . ?
U5 U10 U1 36.4(3) . . ?
U2 U10 U1 13.29(16) . . ?
U3 U10 U9 61.1(7) . . ?
U8 U10 U9 111(2) . . ?
U5 U10 U9 32.3(3) . . ?
U2 U10 U9 13.08(13) . . ?
U1 U10 U9 12.93(16) . . ?
U8 U3 U10 67(2) . . ?
U8 U3 U5 158(2) . . ?
U10 U3 U5 133.7(9) . . ?
U8 U3 U2 175.9(19) . . ?
U10 U3 U2 111.8(8) . . ?
U5 U3 U2 22.1(3) . . ?
U8 U3 U1 165(2) . . ?
U10 U3 U1 98.4(8) . . ?
U5 U3 U1 35.5(3) . . ?
U2 U3 U1 13.40(16) . . ?
U8 U3 U9 169(2) . . ?
U10 U3 U9 106.0(8) . . ?
U5 U3 U9 31.2(3) . . ?
U2 U3 U9 13.53(13) . . ?
U1 U3 U9 14.55(17) . . ?
U2 U1 U9 68.1(10) . . ?
U2 U1 U5 27.5(4) . . ?
U9 U1 U5 82.8(10) . . ?
U2 U1 U3 55.3(4) . . ?
U9 U1 U3 95.9(8) . . ?
U5 U1 U3 27.9(2) . . ?
U2 U1 U10 69.8(5) . . ?
U9 U1 U10 103.4(7) . . ?
U5 U1 U10 42.4(3) . . ?
U3 U1 U10 14.5(2) . . ?
U2 U1 U8 58.1(5) . . ?
U9 U1 U8 98.0(8) . . ?
U5 U1 U8 30.7(4) . . ?
U3 U1 U8 2.9(4) . . ?
U10 U1 U8 11.7(4) . . ?
U2 U5 U3 131.4(4) . . ?
U2 U5 U1 15.0(2) . . ?
U3 U5 U1 116.6(4) . . ?
U2 U5 U9 19.1(3) . . ?
U3 U5 U9 125.0(3) . . ?
U1 U5 U9 23.4(3) . . ?
U2 U5 U10 116.2(5) . . ?
U3 U5 U10 15.4(3) . . ?
U1 U5 U10 101.3(5) . . ?
U9 U5 U10 111.6(4) . . ?
U2 U5 U8 137.9(9) . . ?
U3 U5 U8 6.7(8) . . ?
U1 U5 U8 123.0(9) . . ?
U9 U5 U8 131.5(9) . . ?
U10 U5 U8 21.8(8) . . ?
C2A C1A C29A 123.8(18) . . ?
C2A C1A C66A 120.3(19) . . ?
C29A C1A C66A 109.7(12) . . ?
C1A C2A C28A 113.4(19) . . ?
C1A C2A C3A 114.4(19) . . ?
C28A C2A C3A 121.6(17) . . ?
C9A C3A C4A 125(2) . . ?
C9A C3A C2A 113.0(19) . . ?
C4A C3A C2A 117.0(19) . . ?
C3A C4A C5A 123(2) . . ?
C3A C4A C6A 120.0(19) . . ?
C5A C4A C6A 108.4(12) . . ?
C66A C5A C4A 123(2) . . ?
C66A C5A C65A 123(2) . . ?
C4A C5A C65A 107.7(13) . . ?
C7A C6A C13A 121.3(16) . . ?
C7A C6A C4A 118.1(16) . . ?
C13A C6A C4A 108.2(12) . . ?
C16A C7A C8A 122.8(18) . . ?
C16A C7A C6A 117.2(16) . . ?
C8A C7A C6A 113.8(16) . . ?
C7A C8A C9A 125.6(16) . . ?
C7A C8A C10A 113.2(15) . . ?
C9A C8A C10A 110.1(12) . . ?
C3A C9A C8A 116.0(17) . . ?
C3A C9A C12A 122.7(17) . . ?
C8A C9A C12A 107.8(12) . . ?
C22A C10A C8A 127.8(17) . . ?
C22A C10A C11A 118.0(16) . . ?
C8A C10A C11A 105.9(11) . . ?
C77A C11A C12A 121.6(17) . . ?
C77A C11A C10A 114.3(16) . . ?
C12A C11A C10A 108.5(11) . . ?
C79A C12A C11A 116.2(17) . . ?
C79A C12A C9A 126.7(16) . . ?
C11A C12A C9A 107.2(11) . . ?
C14A C13A C6A 119(2) . . ?
C14A C13A C65A 123(2) . . ?
C6A C13A C65A 108.7(13) . . ?
C13A C14A C15A 118(2) . . ?
C13A C14A C67A 117(2) . . ?
C15A C14A C67A 120(2) . . ?
C14A C15A C16A 123.7(17) . . ?
C14A C15A C17A 117.6(18) . . ?
C16A C15A C17A 108.9(12) . . ?
C7A C16A C15A 119.8(16) . . ?
C7A C16A C20A 120.5(16) . . ?
C15A C16A C20A 111.7(11) . . ?
C68A C17A C15A 127.8(17) . . ?
C68A C17A C21A 117.6(17) . . ?
C15A C17A C21A 104.7(11) . . ?
C68A C18A C33A 108.9(12) . . ?
C68A C18A C67A 123.4(17) . . ?
C33A C18A C67A 116.8(15) . . ?
C70A C19A C75A 120.6(18) . . ?
C70A C19A C68A 112.3(17) . . ?
C75A C19A C68A 106.9(12) . . ?
C22A C20A C16A 125.0(15) . . ?
C22A C20A C21A 122.7(16) . . ?
C16A C20A C21A 107.6(11) . . ?
C71A C21A C20A 120.1(17) . . ?
C71A C21A C17A 118.1(17) . . ?
C20A C21A C17A 106.5(11) . . ?
C20A C22A C10A 110.4(17) . . ?
C20A C22A C23A 119.8(19) . . ?
C10A C22A C23A 120.2(18) . . ?
C76A C23A C22A 119(2) . . ?
C76A C23A C26A 117(2) . . ?
C22A C23A C26A 115.6(19) . . ?
C78A C25A C42A 121.6(17) . . ?
C78A C25A C77A 120.4(18) . . ?
C42A C25A C77A 105.8(12) . . ?
C39A C26A C23A 124.7(17) . . ?
C39A C26A C71A 107.2(13) . . ?
C23A C26A C71A 121.9(18) . . ?
C59A C27A C28A 114.5(15) . . ?
C59A C27A C58A 125.8(15) . . ?
C28A C27A C58A 108.3(12) . . ?
C2A C28A C79A 120.8(16) . . ?
C2A C28A C27A 122.1(16) . . ?
C79A C28A C27A 106.9(12) . . ?
C59A C29A C1A 120.2(19) . . ?
C59A C29A C60A 127.1(19) . . ?
C1A C29A C60A 104.5(12) . . ?
C64A C30A C31A 110.5(13) . . ?
C64A C30A C67A 113.9(18) . . ?
C31A C30A C67A 126.6(18) . . ?
C32A C31A C30A 124.5(18) . . ?
C32A C31A C63A 120.8(18) . . ?
C30A C31A C63A 105.4(12) . . ?
C31A C32A C33A 109.1(18) . . ?
C31A C32A C49A 119.7(18) . . ?
C33A C32A C49A 124.5(19) . . ?
C32A C33A C18A 131.4(17) . . ?
C32A C33A C75A 114.3(18) . . ?
C18A C33A C75A 106.9(12) . . ?
C75A C35A C48A 113(2) . . ?
C75A C35A C73A 122.1(19) . . ?
C48A C35A C73A 112.3(12) . . ?
C60A C36A C53A 117.4(19) . . ?
C60A C36A C37A 124(2) . . ?
C53A C36A C37A 106.8(12) . . ?
C63A C37A C47A 133(2) . . ?
C63A C37A C36A 109(2) . . ?
C47A C37A C36A 106.6(12) . . ?
C40A C39A C74A 120.8(18) . . ?
C40A C39A C26A 112.7(18) . . ?
C74A C39A C26A 111.1(13) . . ?
C41A C40A C39A 116(2) . . ?
C41A C40A C55A 126(2) . . ?
C39A C40A C55A 114(2) . . ?
C40A C41A C42A 113(2) . . ?
C40A C41A C76A 129(2) . . ?
C42A C41A C76A 107.4(12) . . ?
C56A C42A C41A 130.0(18) . . ?
C56A C42A C25A 111.2(16) . . ?
C41A C42A C25A 110.2(12) . . ?
C72A C44A C45A 116.0(17) . . ?
C72A C44A C48A 107.6(11) . . ?
C45A C44A C48A 125.8(16) . . ?
C46A C45A C44A 119.5(19) . . ?
C46A C45A C50A 115(2) . . ?
C44A C45A C50A 121(2) . . ?
C45A C46A C53A 128.1(18) . . ?
C45A C46A C47A 112.7(16) . . ?
C53A C46A C47A 105.6(12) . . ?
C49A C47A C37A 123(2) . . ?
C49A C47A C46A 120.2(18) . . ?
C37A C47A C46A 108.9(12) . . ?
C49A C48A C35A 145(2) . . ?
C49A C48A C44A 101.3(16) . . ?
C35A C48A C44A 104.1(12) . . ?
C48A C49A C47A 140(2) . . ?
C48A C49A C32A 100.5(18) . . ?
C47A C49A C32A 110.6(19) . . ?
C45A C50A C54A 119.4(16) . . ?
C45A C50A C51A 118.9(17) . . ?
C54A C50A C51A 110.4(12) . . ?
C52A C51A C50A 123.8(17) . . ?
C52A C51A C57A 122.6(16) . . ?
C50A C51A C57A 104.2(11) . . ?
C51A C52A C53A 119.3(17) . . ?
C51A C52A C59A 120.8(18) . . ?
C53A C52A C59A 107.9(19) . . ?
C36A C53A C46A 111.9(13) . . ?
C36A C53A C52A 128.3(18) . . ?
C46A C53A C52A 113.6(17) . . ?
C56A C54A C50A 110.4(12) . . ?
C56A C54A C55A 116.0(16) . . ?
C50A C54A C55A 124.1(15) . . ?
C72A C55A C54A 106.7(16) . . ?
C72A C55A C40A 126.2(17) . . ?
C54A C55A C40A 117.2(16) . . ?
C42A C56A C54A 117.7(16) . . ?
C42A C56A C57A 121.4(15) . . ?
C54A C56A C57A 106.6(11) . . ?
C58A C57A C51A 121.7(19) . . ?
C58A C57A C56A 122.7(19) . . ?
C51A C57A C56A 108.3(11) . . ?
C57A C58A C27A 121(2) . . ?
C57A C58A C78A 119.1(19) . . ?
C27A C58A C78A 108.2(12) . . ?
C29A C59A C27A 125.5(19) . . ?
C29A C59A C52A 121(2) . . ?
C27A C59A C52A 107.2(18) . . ?
C36A C60A C61A 117.6(19) . . ?
C36A C60A C29A 118.2(18) . . ?
C61A C60A C29A 112.2(12) . . ?
C62A C61A C60A 119(2) . . ?
C62A C61A C66A 124(2) . . ?
C60A C61A C66A 105.7(12) . . ?
C61A C62A C64A 121(2) . . ?
C61A C62A C63A 120(2) . . ?
C64A C62A C63A 107.2(13) . . ?
C37A C63A C62A 130(2) . . ?
C37A C63A C31A 112(2) . . ?
C62A C63A C31A 107.8(12) . . ?
C65A C64A C30A 124(2) . . ?
C65A C64A C62A 117(2) . . ?
C30A C64A C62A 109.2(13) . . ?
C64A C65A C13A 118(2) . . ?
C64A C65A C5A 117(2) . . ?
C13A C65A C5A 106.4(13) . . ?
C5A C66A C1A 122(2) . . ?
C5A C66A C61A 117(2) . . ?
C1A C66A C61A 107.7(13) . . ?
C30A C67A C14A 123.3(19) . . ?
C30A C67A C18A 109.9(17) . . ?
C14A C67A C18A 115.1(18) . . ?
C17A C68A C18A 115.3(18) . . ?
C17A C68A C19A 128.1(18) . . ?
C18A C68A C19A 106.9(12) . . ?
C19A C70A C71A 118.5(16) . . ?
C19A C70A C74A 113.8(17) . . ?
C71A C70A C74A 107.3(12) . . ?
C21A C71A C26A 118.7(18) . . ?
C21A C71A C70A 125.0(17) . . ?
C26A C71A C70A 106.3(12) . . ?
C44A C72A C55A 130.9(17) . . ?
C44A C72A C73A 110.5(13) . . ?
C55A C72A C73A 108.6(16) . . ?
C74A C73A C35A 118.1(18) . . ?
C74A C73A C72A 126.1(18) . . ?
C35A C73A C72A 105.4(12) . . ?
C73A C74A C39A 123.6(18) . . ?
C73A C74A C70A 122.1(19) . . ?
C39A C74A C70A 106.6(12) . . ?
C35A C75A C19A 122(2) . . ?
C35A C75A C33A 122(2) . . ?
C19A C75A C33A 109.3(13) . . ?
C23A C76A C77A 126(2) . . ?
C23A C76A C41A 118(2) . . ?
C77A C76A C41A 108.6(12) . . ?
C11A C77A C76A 122.2(18) . . ?
C11A C77A C25A 118.8(18) . . ?
C76A C77A C25A 107.9(12) . . ?
C25A C78A C79A 119.4(18) . . ?
C25A C78A C58A 123.0(17) . . ?
C79A C78A C58A 105.0(11) . . ?
C12A C79A C28A 114.6(17) . . ?
C12A C79A C78A 123.4(17) . . ?
C28A C79A C78A 111.5(12) . . ?
C2 C1 C29 127(3) . . ?
C2 C1 C66 119(3) . . ?
C29 C1 C66 107.9(15) . . ?
C1 C2 C28 110(3) . . ?
C1 C2 C3 116(3) . . ?
C28 C2 C3 121(3) . . ?
C9 C3 C4 123(3) . . ?
C9 C3 C2 115(3) . . ?
C4 C3 C2 116(3) . . ?
C3 C4 C5 122(3) . . ?
C3 C4 C6 119(3) . . ?
C5 C4 C6 108.3(15) . . ?
C66 C5 C4 125(3) . . ?
C66 C5 C65 119(3) . . ?
C4 C5 C65 107.7(15) . . ?
C13 C6 C7 120(3) . . ?
C13 C6 C4 107.7(16) . . ?
C7 C6 C4 121(3) . . ?
C16 C7 C8 122(3) . . ?
C16 C7 C6 117(3) . . ?
C8 C7 C6 111(3) . . ?
C7 C8 C9 126(3) . . ?
C7 C8 C10 111(2) . . ?
C9 C8 C10 107.9(15) . . ?
C3 C9 C8 118(3) . . ?
C3 C9 C12 120(3) . . ?
C8 C9 C12 108.6(15) . . ?
C22 C10 C8 131(3) . . ?
C22 C10 C11 115(2) . . ?
C8 C10 C11 107.1(14) . . ?
C77 C11 C12 121(3) . . ?
C77 C11 C10 113(3) . . ?
C12 C11 C10 107.3(16) . . ?
C79 C12 C11 115(3) . . ?
C79 C12 C9 127(3) . . ?
C11 C12 C9 107.6(14) . . ?
C14 C13 C6 120(3) . . ?
C14 C13 C65 122(3) . . ?
C6 C13 C65 109.6(15) . . ?
C13 C14 C15 119(3) . . ?
C13 C14 C67 118(3) . . ?
C15 C14 C67 122(3) . . ?
C14 C15 C16 122(3) . . ?
C14 C15 C17 117(3) . . ?
C16 C15 C17 109.3(15) . . ?
C7 C16 C15 121(3) . . ?
C7 C16 C20 122(3) . . ?
C15 C16 C20 110.4(15) . . ?
C68 C17 C15 127(3) . . ?
C68 C17 C21 119(3) . . ?
C15 C17 C21 106.2(14) . . ?
C68 C18 C33 108.9(15) . . ?
C68 C18 C67 123(3) . . ?
C33 C18 C67 115(2) . . ?
C75 C19 C70 122(3) . . ?
C75 C19 C68 107.1(16) . . ?
C70 C19 C68 111(3) . . ?
C22 C20 C16 122(3) . . ?
C22 C20 C21 115(3) . . ?
C16 C20 C21 109.1(15) . . ?
C71 C21 C20 122(3) . . ?
C71 C21 C17 118(3) . . ?
C20 C21 C17 104.9(14) . . ?
C20 C22 C10 109(2) . . ?
C20 C22 C23 126(3) . . ?
C10 C22 C23 123(3) . . ?
C76 C23 C22 119(3) . . ?
C76 C23 C26 114(3) . . ?
C22 C23 C26 117(3) . . ?
C78 C25 C42 123(3) . . ?
C78 C25 C77 122(3) . . ?
C42 C25 C77 107.1(15) . . ?
C39 C26 C71 106.2(15) . . ?
C39 C26 C23 123(3) . . ?
C71 C26 C23 114(3) . . ?
C59 C27 C58 124(3) . . ?
C59 C27 C28 118(3) . . ?
C58 C27 C28 108.6(15) . . ?
C2 C28 C79 120(3) . . ?
C2 C28 C27 122(3) . . ?
C79 C28 C27 108.4(15) . . ?
C59 C29 C1 120(3) . . ?
C59 C29 C60 126(3) . . ?
C1 C29 C60 107.1(15) . . ?
C64 C30 C31 109.9(16) . . ?
C64 C30 C67 112(3) . . ?
C31 C30 C67 129(3) . . ?
C32 C31 C30 123(3) . . ?
C32 C31 C63 122(3) . . ?
C30 C31 C63 106.8(14) . . ?
C31 C32 C33 109(3) . . ?
C31 C32 C49 116(3) . . ?
C33 C32 C49 125(3) . . ?
C32 C33 C18 133(3) . . ?
C32 C33 C75 111(2) . . ?
C18 C33 C75 106.2(15) . . ?
C75 C35 C48 114(3) . . ?
C75 C35 C73 127(3) . . ?
C48 C35 C73 111.7(16) . . ?
C60 C36 C53 114(3) . . ?
C60 C36 C37 128(3) . . ?
C53 C36 C37 108.3(15) . . ?
C63 C37 C47 128(4) . . ?
C63 C37 C36 111(3) . . ?
C47 C37 C36 105.5(15) . . ?
C40 C39 C74 117(3) . . ?
C40 C39 C26 118(3) . . ?
C74 C39 C26 110.9(16) . . ?
C41 C40 C39 111(3) . . ?
C41 C40 C55 126(3) . . ?
C39 C40 C55 116(3) . . ?
C40 C41 C42 109(3) . . ?
C40 C41 C76 132(3) . . ?
C42 C41 C76 108.3(15) . . ?
C56 C42 C41 134(3) . . ?
C56 C42 C25 111(2) . . ?
C41 C42 C25 108.9(15) . . ?
C72 C44 C45 112(3) . . ?
C72 C44 C48 106.3(16) . . ?
C45 C44 C48 122(3) . . ?
C46 C45 C44 114(3) . . ?
C46 C45 C50 115(3) . . ?
C44 C45 C50 122(3) . . ?
C45 C46 C53 130(3) . . ?
C45 C46 C47 120(2) . . ?
C53 C46 C47 108.4(15) . . ?
C49 C47 C37 124(3) . . ?
C49 C47 C46 118(3) . . ?
C37 C47 C46 108.3(16) . . ?
C49 C48 C35 144(3) . . ?
C49 C48 C44 108(2) . . ?
C35 C48 C44 105.0(14) . . ?
C48 C49 C47 132(4) . . ?
C48 C49 C32 101(3) . . ?
C47 C49 C32 113(3) . . ?
C45 C50 C54 120(3) . . ?
C45 C50 C51 118(3) . . ?
C54 C50 C51 109.0(15) . . ?
C52 C51 C57 122(3) . . ?
C52 C51 C50 125(3) . . ?
C57 C51 C50 106.5(14) . . ?
C51 C52 C53 118(3) . . ?
C51 C52 C59 121(3) . . ?
C53 C52 C59 109(3) . . ?
C36 C53 C46 108.9(17) . . ?
C36 C53 C52 129(3) . . ?
C46 C53 C52 113(3) . . ?
C56 C54 C50 109.4(15) . . ?
C56 C54 C55 112(3) . . ?
C50 C54 C55 123(3) . . ?
C72 C55 C54 105(2) . . ?
C72 C55 C40 125(3) . . ?
C54 C55 C40 121(3) . . ?
C42 C56 C54 119(3) . . ?
C42 C56 C57 122(3) . . ?
C54 C56 C57 108.3(15) . . ?
C58 C57 C51 122(3) . . ?
C58 C57 C56 121(3) . . ?
C51 C57 C56 106.5(15) . . ?
C57 C58 C27 122(3) . . ?
C57 C58 C78 120(3) . . ?
C27 C58 C78 106.2(14) . . ?
C29 C59 C27 123(3) . . ?
C29 C59 C52 120(3) . . ?
C27 C59 C52 108(3) . . ?
C36 C60 C61 113(3) . . ?
C36 C60 C29 122(3) . . ?
C61 C60 C29 108.4(16) . . ?
C62 C61 C60 118(3) . . ?
C62 C61 C66 129(3) . . ?
C60 C61 C66 108.3(14) . . ?
C61 C62 C64 117(3) . . ?
C61 C62 C63 126(3) . . ?
C64 C62 C63 108.3(15) . . ?
C37 C63 C62 123(3) . . ?
C37 C63 C31 116(3) . . ?
C62 C63 C31 106.1(16) . . ?
C65 C64 C30 125(3) . . ?
C65 C64 C62 117(3) . . ?
C30 C64 C62 108.3(16) . . ?
C64 C65 C13 118(3) . . ?
C64 C65 C5 120(3) . . ?
C13 C65 C5 106.1(15) . . ?
C5 C66 C1 121(3) . . ?
C5 C66 C61 117(3) . . ?
C1 C66 C61 106.9(16) . . ?
C30 C67 C14 123(3) . . ?
C30 C67 C18 110(2) . . ?
C14 C67 C18 114(3) . . ?
C17 C68 C18 116(3) . . ?
C17 C68 C19 127(3) . . ?
C18 C68 C19 107.2(14) . . ?
C19 C70 C71 120(3) . . ?
C19 C70 C74 116(3) . . ?
C71 C70 C74 105.6(16) . . ?
C21 C71 C26 125(3) . . ?
C21 C71 C70 123(3) . . ?
C26 C71 C70 107.2(14) . . ?
C44 C72 C55 136(3) . . ?
C44 C72 C73 110.0(15) . . ?
C55 C72 C73 107(2) . . ?
C74 C73 C35 118(3) . . ?
C74 C73 C72 128(3) . . ?
C35 C73 C72 105.9(15) . . ?
C73 C74 C39 125(3) . . ?
C73 C74 C70 120(3) . . ?
C39 C74 C70 107.8(15) . . ?
C35 C75 C19 117(3) . . ?
C35 C75 C33 123(3) . . ?
C19 C75 C33 109.4(15) . . ?
C23 C76 C77 122(3) . . ?
C23 C76 C41 119(3) . . ?
C77 C76 C41 107.4(15) . . ?
C11 C77 C76 125(3) . . ?
C11 C77 C25 119(3) . . ?
C76 C77 C25 108.2(15) . . ?
C25 C78 C79 117(3) . . ?
C25 C78 C58 122(3) . . ?
C79 C78 C58 107.9(15) . . ?
C12 C79 C28 116(3) . . ?
C12 C79 C78 125(3) . . ?
C28 C79 C78 109.0(15) . . ?

_refine_diff_density_max         2.153
_refine_diff_density_min         -2.043
_refine_diff_density_rms         0.157

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_6666
_database_code_depnum_ccdc_archive 'CCDC 1522558'
_audit_update_record             
;
2016-12-13 deposited with the CCDC.
2017-05-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C128 H53 N4 Ni S2 U'
_chemical_formula_weight         2007.60

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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P2(1)/c  '
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   17.7846(5)
_cell_length_b                   17.2807(5)
_cell_length_c                   26.6533(7)
_cell_angle_alpha                90
_cell_angle_beta                 107.3760(10)
_cell_angle_gamma                90
_cell_volume                     7817.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    28272
_cell_measurement_theta_min      6.177
_cell_measurement_theta_max      136.643

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_F_000             4004
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    2.431
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_T_max  0.661
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            94768
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_av_R_equivalents  0.0840
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.200
_diffrn_reflns_theta_max         25.394
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14336
_reflns_number_gt                9344
_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       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_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)+(0.1000P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14336
_refine_ls_number_parameters     2045
_refine_ls_number_restraints     15663
_refine_ls_R_factor_all          0.1324
_refine_ls_R_factor_gt           0.0987
_refine_ls_wR_factor_ref         0.2849
_refine_ls_wR_factor_gt          0.2627
_refine_ls_goodness_of_fit_ref   1.737
_refine_ls_restrained_S_all      2.286
_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
C1B C 0.0953(5) -0.0760(5) 0.1172(4) 0.068(2) Uani 1 1 d . . . A 5
H1B H 0.0688 -0.1230 0.1104 0.081 Uiso 1 1 calc R U . A 5
C2B C 0.0563(5) -0.0051(6) 0.0976(4) 0.076(2) Uani 1 1 d . . . A 5
H2B H 0.0050 -0.0064 0.0751 0.092 Uiso 1 1 calc R U . A 5
C3B C 0.0943(5) 0.0670(5) 0.1116(4) 0.076(3) Uani 1 1 d . . . A 5
H3B H 0.0676 0.1133 0.1013 0.091 Uiso 1 1 calc R U . A 5
C4B C 0.1701(6) 0.0658(5) 0.1403(5) 0.090(3) Uani 1 1 d . . . A 5
H4B H 0.1961 0.1127 0.1499 0.108 Uiso 1 1 calc R U . A 5
C5B C 0.2122(5) -0.0034(5) 0.1569(3) 0.073(2) Uani 1 1 d . . . A 5
H5B H 0.2659 -0.0027 0.1746 0.087 Uiso 1 1 calc R U . A 5
C6B C 0.1709(6) -0.0725(5) 0.1457(4) 0.084(3) Uani 1 1 d . . . A 5
H6B H 0.1970 -0.1183 0.1585 0.101 Uiso 1 1 calc R U . A 5
C7B C 0.4444(17) -0.0063(13) 0.4502(9) 0.183(8) Uani 1 1 d . . . B 5
H7B H 0.4081 -0.0081 0.4168 0.219 Uiso 1 1 calc R U . B 5
C8B C 0.5254(14) -0.0059(9) 0.4579(8) 0.141(7) Uani 1 1 d . . . B 5
H8B H 0.5431 -0.0128 0.4287 0.170 Uiso 1 1 calc R U . B 5
C9B C 0.5786(12) 0.0038(11) 0.5040(12) 0.166(8) Uani 1 1 d . . . B 5
H9B H 0.6315 0.0090 0.5060 0.199 Uiso 1 1 calc R U . B 5
Ni1 Ni 0.41140(4) 0.49375(7) 0.45069(3) 0.0566(3) Uani 1 1 d . . . C 2
N2 N 0.4737(2) 0.4129(3) 0.42928(17) 0.0403(12) Uani 1 1 d . . . C 2
N3 N 0.4751(3) 0.5742(3) 0.43062(17) 0.0390(11) Uani 1 1 d . . . C 2
N4 N 0.3465(3) 0.5737(3) 0.46922(18) 0.0408(12) Uani 1 1 d . . . C 2
N1 N 0.3455(2) 0.4118(4) 0.46795(17) 0.0452(13) Uani 1 1 d . . . C 2
C33N C 0.2939(4) 0.6942(5) 0.4824(3) 0.061(2) Uani 1 1 d . . . C 2
C34N C 0.2861(5) 0.7777(6) 0.4837(4) 0.079(3) Uani 1 1 d . . . C 2
H34A H 0.3380 0.8004 0.4979 0.095 Uiso 1 1 calc R U . C 2
H34B H 0.2555 0.7909 0.5071 0.095 Uiso 1 1 calc R U . C 2
C35N C 0.2453(6) 0.8140(6) 0.4279(5) 0.094(3) Uani 1 1 d . . . C 2
H35A H 0.2424 0.8692 0.4311 0.113 Uiso 1 1 calc R U . C 2
H35B H 0.1931 0.7933 0.4141 0.113 Uiso 1 1 calc R U . C 2
H35C H 0.2755 0.8017 0.4046 0.113 Uiso 1 1 calc R U . C 2
C37N C 0.1019(4) 0.6540(8) 0.4680(4) 0.098(4) Uani 1 1 d . . . C 2
H37A H 0.0576 0.6570 0.4815 0.118 Uiso 1 1 calc R U . C 2
H37B H 0.0969 0.6091 0.4461 0.118 Uiso 1 1 calc R U . C 2
H37C H 0.1036 0.6996 0.4478 0.118 Uiso 1 1 calc R U . C 2
C38N C 0.2516(3) 0.4938(5) 0.4949(2) 0.0491(16) Uani 1 1 d . . . C 2
H38N H 0.2081 0.4936 0.5075 0.059 Uiso 1 1 calc R U . C 2
C28N C 0.1765(4) 0.6484(6) 0.5131(3) 0.069(2) Uani 1 1 d . . . C 2
H28A H 0.1725 0.6049 0.5351 0.083 Uiso 1 1 calc R U . C 2
H28B H 0.1823 0.6950 0.5342 0.083 Uiso 1 1 calc R U . C 2
C29N C 0.1742(4) 0.3376(6) 0.5100(3) 0.066(2) Uani 1 1 d . . . C 2
H29A H 0.1799 0.2902 0.5304 0.080 Uiso 1 1 calc R U . C 2
H29B H 0.1705 0.3802 0.5329 0.080 Uiso 1 1 calc R U . C 2
C30N C 0.6034(4) 0.6335(4) 0.3142(3) 0.0535(16) Uani 1 1 d . . . C 2
H30A H 0.6472 0.6380 0.3003 0.064 Uiso 1 1 calc R U . C 2
H30B H 0.5647 0.6720 0.2984 0.064 Uiso 1 1 calc R U . C 2
H30C H 0.5804 0.5830 0.3064 0.064 Uiso 1 1 calc R U . C 2
C31N C 0.4667(5) 0.1810(5) 0.3509(4) 0.083(3) Uani 1 1 d . . . C 2
H31A H 0.4707 0.1258 0.3487 0.099 Uiso 1 1 calc R U . C 2
H31B H 0.4791 0.2047 0.3218 0.099 Uiso 1 1 calc R U . C 2
H31C H 0.4139 0.1946 0.3500 0.099 Uiso 1 1 calc R U . C 2
C32N C 0.2401(5) 0.1752(6) 0.4207(4) 0.083(3) Uani 1 1 d . . . C 2
H32A H 0.2336 0.1201 0.4219 0.099 Uiso 1 1 calc R U . C 2
H32B H 0.2731 0.1871 0.3990 0.099 Uiso 1 1 calc R U . C 2
H32C H 0.1895 0.1991 0.4062 0.099 Uiso 1 1 calc R U . C 2
C1N C 0.3515(3) 0.3334(4) 0.4633(2) 0.0457(15) Uani 1 1 d . . . C 2
C2N C 0.2905(3) 0.2933(5) 0.4790(3) 0.059(2) Uani 1 1 d . . . C 2
C3N C 0.2469(3) 0.3486(5) 0.4923(2) 0.057(2) Uani 1 1 d . . . C 2
C4N C 0.2803(3) 0.4228(5) 0.4857(2) 0.0528(18) Uani 1 1 d . . . C 2
C5N C 0.4077(3) 0.2969(5) 0.4459(3) 0.0543(18) Uani 1 1 d . . . C 2
H5N H 0.4075 0.2431 0.4453 0.065 Uiso 1 1 calc R U . C 2
C6N C 0.2785(4) 0.2060(5) 0.4765(3) 0.072(2) Uani 1 1 d . . . C 2
H6N1 H 0.2458 0.1919 0.4984 0.086 Uiso 1 1 calc R U . C 2
H6N2 H 0.3293 0.1810 0.4909 0.086 Uiso 1 1 calc R U . C 2
C8N C 0.0997(4) 0.3335(7) 0.4656(4) 0.091(3) Uani 1 1 d . . . C 2
H8N1 H 0.0560 0.3257 0.4792 0.109 Uiso 1 1 calc R U . C 2
H8N2 H 0.1026 0.2912 0.4429 0.109 Uiso 1 1 calc R U . C 2
H8N3 H 0.0925 0.3810 0.4461 0.109 Uiso 1 1 calc R U . C 2
C9N C 0.4640(3) 0.3341(4) 0.4295(2) 0.0446(14) Uani 1 1 d . . . C 2
C10N C 0.5205(4) 0.2944(4) 0.4089(3) 0.0543(18) Uani 1 1 d . . . C 2
C11N C 0.5236(5) 0.2090(5) 0.4016(4) 0.075(3) Uani 1 1 d . . . C 2
H11A H 0.5119 0.1833 0.4308 0.090 Uiso 1 1 calc R U . C 2
H11B H 0.5766 0.1946 0.4024 0.090 Uiso 1 1 calc R U . C 2
C12N C 0.5649(3) 0.3508(4) 0.3962(2) 0.0463(15) Uani 1 1 d . . . C 2
C13N C 0.5357(3) 0.4238(4) 0.4089(2) 0.0405(14) Uani 1 1 d . . . C 2
C14N C 0.6303(3) 0.3429(4) 0.3719(2) 0.0484(15) Uani 1 1 d . . . C 2
H14A H 0.6526 0.2914 0.3788 0.058 Uiso 1 1 calc R U . C 2
H14B H 0.6714 0.3799 0.3880 0.058 Uiso 1 1 calc R U . C 2
C15N C 0.6012(4) 0.3568(4) 0.3120(3) 0.0526(16) Uani 1 1 d . . . C 2
H15A H 0.6442 0.3501 0.2976 0.063 Uiso 1 1 calc R U . C 2
H15B H 0.5810 0.4085 0.3051 0.063 Uiso 1 1 calc R U . C 2
H15C H 0.5602 0.3204 0.2960 0.063 Uiso 1 1 calc R U . C 2
C16N C 0.5655(3) 0.4941(4) 0.40061(19) 0.0414(13) Uani 1 1 d . . . C 2
H16N H 0.6087 0.4940 0.3877 0.050 Uiso 1 1 calc R U . C 2
C17N C 0.5366(3) 0.5648(4) 0.4100(2) 0.0375(13) Uani 1 1 d . . . C 2
C18N C 0.5666(3) 0.6371(4) 0.3987(2) 0.0449(15) Uani 1 1 d . . . C 2
C19N C 0.6318(3) 0.6452(4) 0.3732(3) 0.0477(15) Uani 1 1 d . . . C 2
H19A H 0.6548 0.6964 0.3807 0.057 Uiso 1 1 calc R U . C 2
H19B H 0.6727 0.6077 0.3886 0.057 Uiso 1 1 calc R U . C 2
C20N C 0.5237(3) 0.6931(4) 0.4127(3) 0.0499(16) Uani 1 1 d . . . C 2
C21N C 0.5283(4) 0.7790(5) 0.4069(4) 0.071(2) Uani 1 1 d . . . C 2
H21A H 0.5815 0.7927 0.4078 0.085 Uiso 1 1 calc R U . C 2
H21B H 0.5173 0.8038 0.4366 0.085 Uiso 1 1 calc R U . C 2
C22N C 0.4716(5) 0.8103(5) 0.3567(4) 0.083(3) Uani 1 1 d . . . C 2
H22A H 0.4789 0.8651 0.3548 0.100 Uiso 1 1 calc R U . C 2
H22B H 0.4185 0.7998 0.3563 0.100 Uiso 1 1 calc R U . C 2
H22C H 0.4816 0.7857 0.3270 0.100 Uiso 1 1 calc R U . C 2
C23N C 0.4670(3) 0.6510(4) 0.4327(2) 0.0478(16) Uani 1 1 d . . . C 2
C24N C 0.4112(3) 0.6887(5) 0.4505(3) 0.0541(18) Uani 1 1 d . . . C 2
H24N H 0.4123 0.7425 0.4516 0.065 Uiso 1 1 calc R U . C 2
C25N C 0.2812(3) 0.5645(4) 0.4872(2) 0.0467(16) Uani 1 1 d . . . C 2
C26N C 0.3544(3) 0.6515(5) 0.4665(2) 0.0541(19) Uani 1 1 d . . . C 2
C27N C 0.2492(3) 0.6384(5) 0.4951(2) 0.0541(18) Uani 1 1 d . . . C 2
U1 U 0.2476(3) 0.5721(2) 0.24051(14) 0.0516(11) Uani 0.0695 1 d . . P D 3
U6 U 0.2719(6) 0.5409(9) 0.2324(4) 0.0642(16) Uani 0.0286 1 d . . P D 3
U7 U 0.1764(3) 0.5756(3) 0.25760(19) 0.0597(12) Uani 0.1884 1 d . . P D 3
U8 U 0.1253(4) 0.5131(5) 0.26365(16) 0.0877(18) Uani 0.1146 1 d . . P D 3
U9 U 0.2005(8) 0.4139(5) 0.2512(4) 0.028(2) Uani 0.0222 1 d . U P D 3
U10 U 0.2537(3) 0.4245(4) 0.2375(2) 0.0642(16) Uani 0.0457 1 d . . P D 3
U5 U 0.1370(4) 0.4673(5) 0.26558(14) 0.0684(15) Uani 0.0972 1 d . U P D 3
U3 U 0.2790(7) 0.4871(9) 0.2293(5) 0.0642(16) Uani 0.0203 1 d . . P D 3
U2 U 0.1532(2) 0.5576(2) 0.26195(15) 0.0434(8) Uani 0.2165 1 d . U P D 3
U4 U 0.16028(15) 0.42742(17) 0.26126(7) 0.0612(8) Uani 0.1969 1 d . . P D 3
C1 C -0.0536(11) 0.5932(9) 0.1718(6) 0.092(3) Uani 0.606(6) 1 d D U P E 1
C2 C -0.0062(7) 0.6051(8) 0.0935(5) 0.089(3) Uani 0.606(6) 1 d D U P E 1
C3 C 0.1386(8) 0.3861(8) 0.3338(6) 0.084(3) Uani 0.606(6) 1 d D U P E 1
C4 C 0.0410(10) 0.2991(9) 0.1333(6) 0.091(4) Uani 0.606(6) 1 d D U P E 1
C5 C 0.2362(9) 0.3647(8) 0.0947(5) 0.078(3) Uani 0.606(6) 1 d D U P E 1
C6 C 0.4155(9) 0.4898(8) 0.2510(6) 0.076(3) Uani 0.606(6) 1 d D U P E 1
C7 C 0.3981(8) 0.4125(8) 0.2394(5) 0.083(3) Uani 0.606(6) 1 d D U P E 1
C8 C 0.3653(10) 0.3656(9) 0.2688(5) 0.085(3) Uani 0.606(6) 1 d D U P E 1
C9 C -0.0066(7) 0.3580(8) 0.1031(5) 0.085(3) Uani 0.606(6) 1 d D U P E 1
C10 C 0.2374(8) 0.4809(7) 0.3595(6) 0.073(3) Uani 0.606(6) 1 d D U P E 1
C11 C 0.2197(8) 0.4014(8) 0.3465(5) 0.074(3) Uani 0.606(6) 1 d D U P E 1
C12 C 0.2513(11) 0.3104(9) 0.1402(7) 0.080(3) Uani 0.606(6) 1 d . U P E 1
C13 C 0.2312(9) 0.2907(8) 0.2873(5) 0.075(3) Uani 0.606(6) 1 d D U P E 1
C14 C 0.2856(8) 0.4256(8) 0.0963(5) 0.074(3) Uani 0.606(6) 1 d D U P E 1
C15 C -0.0018(8) 0.3346(8) 0.2097(5) 0.086(3) Uani 0.606(6) 1 d D U P E 1
C16 C 0.0267(8) 0.3508(7) 0.2660(5) 0.081(2) Uani 0.606(6) 1 d D U P E 1
C17 C 0.2784(9) 0.6956(9) 0.2794(6) 0.091(4) Uani 0.606(6) 1 d D U P E 1
C18 C 0.2830(8) 0.7083(7) 0.2303(5) 0.089(3) Uani 0.606(6) 1 d D U P E 1
C19 C 0.2083(9) 0.7329(8) 0.1992(5) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C20 C 0.1569(8) 0.7359(7) 0.2291(6) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C21 C 0.2029(10) 0.7095(8) 0.2822(5) 0.083(3) Uani 0.606(6) 1 d D U P E 1
C22 C 0.0973(8) 0.5194(8) 0.3403(6) 0.080(3) Uani 0.606(6) 1 d D U P E 1
C23 C 0.1807(8) 0.5398(8) 0.3589(4) 0.077(3) Uani 0.606(6) 1 d D U P E 1
C24 C 0.0775(9) 0.7150(8) 0.2097(6) 0.085(3) Uani 0.606(6) 1 d D U P E 1
C25 C -0.0214(7) 0.6159(8) 0.2262(5) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C26 C 0.1548(10) 0.3850(10) 0.0650(7) 0.085(3) Uani 0.606(6) 1 d D U P E 1
C27 C 0.0118(9) 0.4213(8) 0.2864(6) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C28 C 0.0466(10) 0.6989(9) 0.1557(7) 0.093(4) Uani 0.606(6) 1 d D U P E 1
C29 C 0.1738(9) 0.7121(9) 0.1436(5) 0.083(3) Uani 0.606(6) 1 d D U P E 1
C30 C 0.0933(9) 0.6996(7) 0.1190(7) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C31 C 0.3065(9) 0.5133(8) 0.3503(7) 0.071(3) Uani 0.606(6) 1 d D U P E 1
C32 C 0.3359(8) 0.3866(8) 0.3101(5) 0.079(3) Uani 0.606(6) 1 d D U P E 1
C33 C 0.3716(8) 0.3917(8) 0.1863(5) 0.085(3) Uani 0.606(6) 1 d D U P E 1
C34 C 0.3197(8) 0.5847(7) 0.1254(6) 0.075(3) Uani 0.606(6) 1 d D U P E 1
C35 C 0.2952(8) 0.5953(8) 0.3425(5) 0.074(3) Uani 0.606(6) 1 d D U P E 1
C36 C 0.3533(9) 0.4457(8) 0.1455(5) 0.075(3) Uani 0.606(6) 1 d D U P E 1
C37 C 0.3691(7) 0.5261(8) 0.1576(5) 0.070(3) Uani 0.606(6) 1 d D U P E 1
C38 C 0.3949(8) 0.5184(8) 0.2963(6) 0.074(3) Uani 0.606(6) 1 d D U P E 1
C39 C 0.4018(6) 0.5474(8) 0.2123(5) 0.075(3) Uani 0.606(6) 1 d D U P E 1
C40 C 0.3312(8) 0.6669(8) 0.2019(5) 0.084(3) Uani 0.606(6) 1 d D U P E 1
C41 C -0.0666(7) 0.4616(9) 0.2000(5) 0.085(3) Uani 0.606(6) 1 d D U P E 1
C42 C 0.1504(9) 0.2837(8) 0.2724(6) 0.085(3) Uani 0.606(6) 1 d D U P E 1
C43 C -0.0755(7) 0.5190(8) 0.1593(5) 0.086(3) Uani 0.606(6) 1 d D U P E 1
C44 C -0.0334(9) 0.4800(9) 0.2546(6) 0.084(3) Uani 0.606(6) 1 d D U P E 1
C45 C 0.3825(9) 0.6161(8) 0.2327(6) 0.083(3) Uani 0.606(6) 1 d D U P E 1
C46 C 0.3793(7) 0.5995(8) 0.2867(5) 0.084(3) Uani 0.606(6) 1 d D U P E 1
C47 C 0.2564(8) 0.5634(7) 0.0814(5) 0.076(3) Uani 0.606(6) 1 d D U P E 1
C48 C 0.1897(8) 0.6184(8) 0.0765(5) 0.078(3) Uani 0.606(6) 1 d D U P E 1
C49 C 0.1862(12) 0.2767(9) 0.1485(7) 0.077(3) Uani 0.606(6) 1 d . U P E 1
C50 C 0.1597(8) 0.4611(9) 0.0481(5) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C51 C 0.0843(9) 0.6534(11) 0.2974(6) 0.089(3) Uani 0.606(6) 1 d D U P E 1
C52 C 0.1934(10) 0.2565(9) 0.2012(6) 0.079(3) Uani 0.606(6) 1 d D U P E 1
C53 C 0.1221(8) 0.2619(7) 0.2189(5) 0.078(3) Uani 0.606(6) 1 d D U P E 1
C54 C -0.0220(7) 0.5162(8) 0.0815(5) 0.091(3) Uani 0.606(6) 1 d D U P E 1
C55 C 0.3209(12) 0.3278(11) 0.1799(6) 0.087(3) Uani 0.606(6) 1 d D U P E 1
C56 C 0.3222(9) 0.3052(8) 0.2327(6) 0.085(3) Uani 0.606(6) 1 d D U P E 1
C57 C 0.0796(9) 0.4431(8) 0.3292(6) 0.083(3) Uani 0.606(6) 1 d D U P E 1
C58 C 0.0512(9) 0.5814(8) 0.3109(5) 0.085(3) Uani 0.606(6) 1 d D U P E 1
C59 C -0.0138(8) 0.5591(8) 0.2663(5) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C60 C 0.2403(8) 0.4911(8) 0.0678(4) 0.070(3) Uani 0.606(6) 1 d D U P E 1
C61 C -0.0642(9) 0.4863(8) 0.1144(6) 0.086(3) Uani 0.606(6) 1 d D U P E 1
C62 C 0.0376(8) 0.6736(8) 0.2421(6) 0.082(3) Uani 0.606(6) 1 d D U P E 1
C63 C 0.2201(9) 0.6733(9) 0.1150(6) 0.087(3) Uani 0.606(6) 1 d D U P E 1
C64 C 0.3550(7) 0.4728(7) 0.3251(5) 0.077(3) Uani 0.606(6) 1 d D U P E 1
C65 C -0.0534(7) 0.4037(8) 0.1263(5) 0.088(3) Uani 0.606(6) 1 d D U P E 1
C66 C 0.2996(8) 0.6526(8) 0.1470(5) 0.082(3) Uani 0.606(6) 1 d D U P E 1
C67 C 0.1645(10) 0.6734(9) 0.3157(6) 0.092(3) Uani 0.606(6) 1 d D U P E 1
C68 C 0.1141(8) 0.5895(8) 0.0622(5) 0.080(3) Uani 0.606(6) 1 d D U P E 1
C69 C -0.0509(11) 0.3917(9) 0.1789(6) 0.090(3) Uani 0.606(6) 1 d D U P E 1
C70 C 0.3271(9) 0.6353(8) 0.3097(6) 0.088(3) Uani 0.606(6) 1 d D U P E 1
C71 C 0.0613(8) 0.6353(8) 0.0817(5) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C72 C 0.0333(8) 0.3878(8) 0.0706(5) 0.083(3) Uani 0.606(6) 1 d D U P E 1
C73 C 0.1105(10) 0.2908(9) 0.1188(7) 0.079(3) Uani 0.606(6) 1 d D U P E 1
C74 C -0.0183(10) 0.6390(9) 0.1373(7) 0.099(4) Uani 0.606(6) 1 d D U P E 1
C75 C 0.0268(7) 0.4758(8) 0.0602(5) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C76 C 0.2608(9) 0.2741(8) 0.2445(6) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C77 C 0.2137(11) 0.6160(9) 0.3455(9) 0.084(3) Uani 0.606(6) 1 d D U P E 1
C78 C 0.2700(9) 0.3560(8) 0.3218(6) 0.081(3) Uani 0.606(6) 1 d D U P E 1
C79 C 0.0989(7) 0.5038(8) 0.0498(5) 0.073(3) Uani 0.606(6) 1 d D U P E 1
C80 C 0.0990(11) 0.3456(10) 0.0747(7) 0.091(4) Uani 0.606(6) 1 d D U P E 1
C81 C 0.1008(8) 0.3275(8) 0.2967(5) 0.081(2) Uani 0.606(6) 1 d D U P E 1
C82 C 0.0460(9) 0.2891(8) 0.1866(5) 0.088(3) Uani 0.606(6) 1 d D U P E 1
C1A C 0.1524(11) 0.7128(11) 0.2722(7) 0.076(4) Uani 0.394(6) 1 d D U P E 4
C2A C 0.1900(12) 0.3847(13) 0.3465(10) 0.094(4) Uani 0.394(6) 1 d D U P E 4
C3A C 0.3509(14) 0.5546(11) 0.1470(7) 0.089(4) Uani 0.394(6) 1 d D U P E 4
C4A C 0.3712(14) 0.4727(11) 0.1594(7) 0.084(4) Uani 0.394(6) 1 d D U P E 4
C5A C 0.3892(15) 0.4867(13) 0.3004(8) 0.095(5) Uani 0.394(6) 1 d D U P E 4
C6A C 0.2955(11) 0.3499(12) 0.1384(7) 0.087(4) Uani 0.394(6) 1 d D U P E 4
C7A C 0.0578(11) 0.4152(13) 0.3149(8) 0.087(4) Uani 0.394(6) 1 d D U P E 4
C8A C 0.0434(15) 0.299(2) 0.1487(8) 0.097(5) Uani 0.394(6) 1 d D U P E 4
C9A C 0.2483(14) 0.3004(18) 0.2959(12) 0.105(5) Uani 0.394(6) 1 d D U P E 4
C10A C 0.2995(14) 0.3026(13) 0.2681(8) 0.103(5) Uani 0.394(6) 1 d D U P E 4
C11A C 0.2558(13) 0.3603(17) 0.3357(10) 0.102(5) Uani 0.394(6) 1 d D U P E 4
C12A C 0.2202(11) 0.3242(14) 0.1117(8) 0.089(4) Uani 0.394(6) 1 d D U P E 4
C13A C 0.1728(13) 0.2802(18) 0.1357(8) 0.094(5) Uani 0.394(6) 1 d D U P E 4
C14A C 0.2344(12) 0.6214(14) 0.0920(8) 0.100(4) Uani 0.394(6) 1 d D U P E 4
C15A C 0.0914(13) 0.300(2) 0.1129(10) 0.097(5) Uani 0.394(6) 1 d D U P E 4
C16A C 0.2144(13) 0.5923(13) 0.3483(14) 0.079(4) Uani 0.394(6) 1 d D U P E 4
C17A C 0.0256(15) 0.6825(15) 0.1359(9) 0.106(5) Uani 0.394(6) 1 d D U P E 4
C18A C 0.1551(14) 0.256(2) 0.2232(8) 0.096(5) Uani 0.394(6) 1 d D U P E 4
C19A C 0.2057(12) 0.261(2) 0.1900(9) 0.093(5) Uani 0.394(6) 1 d D U P E 4
C20A C 0.3004(16) 0.4878(14) 0.3499(11) 0.083(4) Uani 0.394(6) 1 d D U P E 4
C21A C 0.1001(12) 0.4771(11) 0.3437(9) 0.079(3) Uani 0.394(6) 1 d D U P E 4
C22A C 0.1806(11) 0.4580(11) 0.3603(7) 0.079(3) Uani 0.394(6) 1 d D U P E 4
C23A C -0.054(3) 0.4813(12) 0.1074(10) 0.112(5) Uani 0.394(6) 1 d D U P E 4
C24A C 0.1730(13) 0.7162(19) 0.1336(10) 0.108(5) Uani 0.394(6) 1 d D U P E 4
C25A C 0.0120(13) 0.5670(12) 0.2866(8) 0.084(4) Uani 0.394(6) 1 d D U P E 4
C26A C 0.0739(13) 0.2770(17) 0.2012(7) 0.096(5) Uani 0.394(6) 1 d D U P E 4
C27A C 0.2421(13) 0.6784(16) 0.1301(8) 0.107(5) Uani 0.394(6) 1 d D U P E 4
C28A C 0.1366(10) 0.6100(10) 0.3338(6) 0.076(3) Uani 0.394(6) 1 d D U P E 4
C29A C 0.1578(13) 0.5979(15) 0.0632(10) 0.105(5) Uani 0.394(6) 1 d D U P E 4
C30A C 0.2627(15) 0.4744(16) 0.0824(9) 0.097(4) Uani 0.394(6) 1 d D U P E 4
C31A C 0.3778(12) 0.3730(11) 0.2273(7) 0.086(4) Uani 0.394(6) 1 d D U P E 4
C32A C 0.1714(15) 0.3721(14) 0.0712(12) 0.090(4) Uani 0.394(6) 1 d D U P E 4
C33A C 0.1253(12) 0.7282(17) 0.2158(8) 0.093(5) Uani 0.394(6) 1 d D U P E 4
C34A C 0.0875(13) 0.6317(13) 0.0711(10) 0.105(5) Uani 0.394(6) 1 d D U P E 4
C35A C 0.2779(13) 0.2851(14) 0.2159(7) 0.095(4) Uani 0.394(6) 1 d D U P E 4
C36A C 0.2388(13) 0.5108(12) 0.3600(11) 0.077(4) Uani 0.394(6) 1 d D U P E 4
C37A C 0.0885(14) 0.3628(15) 0.0750(14) 0.106(5) Uani 0.394(6) 1 d D U P E 4
C38A C 0.0436(12) 0.7044(13) 0.1887(8) 0.093(4) Uani 0.394(6) 1 d D U P E 4
C39A C -0.0327(16) 0.6188(14) 0.1289(8) 0.110(5) Uani 0.394(6) 1 d D U P E 4
C40A C -0.0008(12) 0.6590(12) 0.2135(7) 0.092(4) Uani 0.394(6) 1 d D U P E 4
C41A C 0.3548(11) 0.6430(12) 0.2743(7) 0.092(4) Uani 0.394(6) 1 d D U P E 4
C42A C 0.4013(12) 0.4490(10) 0.2146(7) 0.084(4) Uani 0.394(6) 1 d D U P E 4
C43A C 0.0961(15) 0.6848(19) 0.1160(14) 0.108(5) Uani 0.394(6) 1 d D U P E 4
C44A C -0.0654(13) 0.5286(11) 0.1959(7) 0.095(4) Uani 0.394(6) 1 d D U P E 4
C45A C 0.2942(13) 0.7005(14) 0.2627(8) 0.096(5) Uani 0.394(6) 1 d D U P E 4
C46A C 0.3288(15) 0.3245(16) 0.1919(7) 0.089(4) Uani 0.394(6) 1 d D U P E 4
C47A C 0.1830(14) 0.731(2) 0.1867(8) 0.106(5) Uani 0.394(6) 1 d D U P E 4
C48A C 0.0392(15) 0.4291(16) 0.0656(13) 0.114(5) Uani 0.394(6) 1 d D U P E 4
C49A C 0.3190(14) 0.4214(11) 0.1216(8) 0.088(4) Uani 0.394(6) 1 d D U P E 4
C50A C 0.2648(13) 0.7181(17) 0.2093(7) 0.106(5) Uani 0.394(6) 1 d D U P E 4
C51A C -0.0183(16) 0.4125(16) 0.0958(8) 0.103(5) Uani 0.394(6) 1 d D U P E 4
C52A C 0.1436(15) 0.5169(12) 0.0493(10) 0.102(4) Uani 0.394(6) 1 d D U P E 4
C53A C 0.0619(15) 0.5012(13) 0.0513(13) 0.113(5) Uani 0.394(6) 1 d D U P E 4
C54A C 0.0300(12) 0.5694(14) 0.0650(9) 0.110(5) Uani 0.394(6) 1 d D U P E 4
C55A C -0.0269(17) 0.5571(14) 0.0946(10) 0.121(5) Uani 0.394(6) 1 d D U P E 4
C56A C 0.408(2) 0.5095(11) 0.2536(8) 0.095(5) Uani 0.394(6) 1 d D U P E 4
C57A C 0.1140(12) 0.3580(12) 0.3211(9) 0.103(4) Uani 0.394(6) 1 d D U P E 4
C58A C 0.1917(16) 0.4464(15) 0.0591(12) 0.103(4) Uani 0.394(6) 1 d D U P E 4
C59A C -0.0190(13) 0.3539(12) 0.1354(8) 0.092(4) Uani 0.394(6) 1 d D U P E 4
C60A C 0.3858(17) 0.5907(12) 0.2430(8) 0.097(5) Uani 0.394(6) 1 d D U P E 4
C61A C 0.2401(12) 0.6949(13) 0.2944(7) 0.077(4) Uani 0.394(6) 1 d D U P E 4
C62A C 0.2689(13) 0.6340(12) 0.3282(7) 0.075(4) Uani 0.394(6) 1 d D U P E 4
C63A C 0.3596(12) 0.6152(11) 0.1865(7) 0.099(4) Uani 0.394(6) 1 d D U P E 4
C64A C 0.3016(13) 0.6772(14) 0.1761(8) 0.104(5) Uani 0.394(6) 1 d D U P E 4
C65A C 0.1053(13) 0.6675(13) 0.2951(8) 0.082(4) Uani 0.394(6) 1 d D U P E 4
C66A C 0.0265(11) 0.6409(11) 0.2670(7) 0.089(4) Uani 0.394(6) 1 d D U P E 4
C67A C 0.2860(14) 0.5563(12) 0.1008(8) 0.093(4) Uani 0.394(6) 1 d D U P E 4
C68A C -0.0314(18) 0.5088(11) 0.2515(8) 0.089(4) Uani 0.394(6) 1 d D U P E 4
C69A C -0.0046(15) 0.4284(13) 0.2676(8) 0.087(4) Uani 0.394(6) 1 d D U P E 4
C70A C 0.1054(13) 0.3037(15) 0.2846(8) 0.104(5) Uani 0.394(6) 1 d D U P E 4
C71A C 0.0439(11) 0.3093(12) 0.2396(7) 0.094(4) Uani 0.394(6) 1 d D U P E 4
C72A C -0.0149(12) 0.3686(11) 0.2286(7) 0.089(4) Uani 0.394(6) 1 d D U P E 4
C73A C 0.1748(13) 0.2715(18) 0.2767(10) 0.105(5) Uani 0.394(6) 1 d D U P E 4
C74A C -0.051(2) 0.3878(14) 0.1726(8) 0.096(5) Uani 0.394(6) 1 d D U P E 4
C75A C -0.049(2) 0.6052(13) 0.1779(8) 0.102(5) Uani 0.394(6) 1 d D U P E 4
C76A C -0.0725(14) 0.4668(11) 0.1565(7) 0.097(4) Uani 0.394(6) 1 d D U P E 4
C77A C 0.3655(13) 0.4139(11) 0.3082(8) 0.102(5) Uani 0.394(6) 1 d D U P E 4
C78A C 0.3122(12) 0.4136(12) 0.3390(7) 0.091(4) Uani 0.394(6) 1 d D U P E 4
C79A C 0.3658(16) 0.3539(14) 0.2766(8) 0.102(5) Uani 0.394(6) 1 d D U P E 4
C80A C 0.3375(13) 0.5966(13) 0.3153(8) 0.091(5) Uani 0.394(6) 1 d D U P E 4
C81A C 0.0772(12) 0.5514(11) 0.3291(8) 0.076(3) Uani 0.394(6) 1 d D U P E 4
C82A C 0.3487(13) 0.5375(12) 0.3276(8) 0.095(5) Uani 0.394(6) 1 d D U P E 4
C1S C 0.2604(6) -0.0066(7) 0.2933(4) 0.051(2) Uiso 0.59 1 d . . P F 8
S1 S 0.277(3) 0.067(2) 0.3064(19) 0.267(19) Uiso 0.31 1 d . . P F 8
S3 S 0.2390(6) 0.0844(4) 0.2851(4) 0.049(2) Uiso 0.28 1 d . . P F 8
S4 S 0.2453(7) -0.0940(6) 0.2830(6) 0.051(3) Uiso 0.19 1 d . . P F 8
S2 S 0.2748(6) -0.0922(5) 0.2985(4) 0.085(3) Uiso 0.4 1 d . . P F 8
C3S C 0.3340(19) -0.067(2) 0.2981(19) 0.030(10) Uiso 0.1 1 d D . P G 9
S8 S 0.2516(11) -0.0972(8) 0.3020(9) 0.027(4) Uiso 0.1 1 d D . P G 9
S5 S 0.3852(18) 0.0063(19) 0.2900(13) 0.096(8) Uiso 0.1 1 d D . P G 9
S12 S 0.376(2) -0.029(2) 0.2910(15) 0.134(11) Uiso 0.13 1 d D . P H 10
S6 S 0.2612(11) 0.0834(8) 0.3060(9) 0.042(4) Uiso 0.13 1 d D . P H 10
C2S C 0.342(3) 0.056(3) 0.297(5) 0.12(3) Uiso 0.13 1 d D . P H 10
S10 S 0.2687(19) -0.0736(18) 0.3276(14) 0.149(9) Uiso 0.18 1 d D . P I 11
C4S C 0.257(7) 0.019(2) 0.329(3) 0.15(3) Uiso 0.18 1 d D . P I 11
S9 S 0.2659(9) 0.0859(6) 0.2895(6) 0.038(3) Uiso 0.18 1 d D . P I 11


_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
C1B C6B 1.334(13) . ?
C1B C2B 1.427(13) . ?
C2B C3B 1.413(13) . ?
C3B C4B 1.337(14) . ?
C4B C5B 1.411(12) . ?
C5B C6B 1.387(12) . ?
C7B C8B 1.39(3) . ?
C7B C9B 1.40(3) 3_656 ?
C8B C9B 1.32(3) . ?
C9B C7B 1.40(3) 3_656 ?
Ni1 N4 1.956(5) . ?
Ni1 N3 1.967(5) . ?
Ni1 N2 1.971(5) . ?
Ni1 N1 1.978(5) . ?
N2 C9N 1.373(9) . ?
N2 C13N 1.380(7) . ?
N3 C23N 1.337(9) . ?
N3 C17N 1.372(7) . ?
N4 C26N 1.356(10) . ?
N4 C25N 1.390(7) . ?
N1 C1N 1.368(9) . ?
N1 C4N 1.389(8) . ?
C33N C27N 1.354(11) . ?
C33N C34N 1.452(13) . ?
C33N C26N 1.468(9) . ?
C34N C35N 1.576(16) . ?
C37N C28N 1.503(12) . ?
C38N C25N 1.371(10) . ?
C38N C4N 1.379(11) . ?
C28N C27N 1.517(8) . ?
C29N C8N 1.492(11) . ?
C29N C3N 1.515(8) . ?
C30N C19N 1.515(10) . ?
C31N C11N 1.506(14) . ?
C32N C6N 1.535(14) . ?
C1N C5N 1.374(10) . ?
C1N C2N 1.450(8) . ?
C2N C3N 1.343(12) . ?
C2N C6N 1.522(13) . ?
C3N C4N 1.445(11) . ?
C5N C9N 1.367(8) . ?
C9N C10N 1.453(9) . ?
C10N C12N 1.359(10) . ?
C10N C11N 1.491(12) . ?
C12N C13N 1.442(9) . ?
C12N C14N 1.497(8) . ?
C13N C16N 1.369(9) . ?
C14N C15N 1.543(9) . ?
C16N C17N 1.377(9) . ?
C17N C18N 1.426(9) . ?
C18N C20N 1.353(9) . ?
C18N C19N 1.515(8) . ?
C20N C23N 1.467(9) . ?
C20N C21N 1.497(12) . ?
C21N C22N 1.514(14) . ?
C23N C24N 1.384(9) . ?
C24N C26N 1.368(10) . ?
C25N C27N 1.439(10) . ?
U1 U6 0.761(9) . ?
U1 U7 1.470(8) . ?
U1 U3 1.630(14) . ?
U1 U2 1.946(6) . ?
U1 U10 2.555(7) . ?
U1 U8 2.638(9) . ?
U1 U5 2.895(6) . ?
U1 U9 2.899(11) . ?
U1 U4 3.080(4) . ?
U6 U3 0.945(19) . ?
U6 U10 2.048(17) . ?
U6 U7 2.092(12) . ?
U6 U2 2.481(12) . ?
U6 U9 2.66(2) . ?
U6 U8 3.003(14) . ?
U6 U4 3.047(16) . ?
U6 U5 3.069(15) . ?
U7 U2 0.556(4) . ?
U7 U8 1.451(8) . ?
U7 U5 2.031(6) . ?
U7 U4 2.582(5) . ?
U7 U3 2.657(14) . ?
U7 U9 2.840(11) . ?
U7 U10 3.071(7) . ?
U8 U5 0.816(6) . ?
U8 U2 0.924(9) . ?
U8 U4 1.615(6) . ?
U8 U9 2.260(12) . ?
U8 U10 3.000(7) . ?
U8 U3 3.164(16) . ?
U9 U4 0.869(12) . ?
U9 U10 1.125(15) . ?
U9 U5 1.593(13) . ?
U9 U3 2.09(2) . ?
U9 U2 2.666(10) . ?
U10 U3 1.217(19) . ?
U10 U4 1.947(8) . ?
U10 U5 2.518(10) . ?
U10 U2 3.100(7) . ?
U5 U4 0.830(8) . ?
U5 U2 1.595(7) . ?
U5 U3 2.981(18) . ?
U3 U4 2.706(18) . ?
U3 U2 2.901(14) . ?
U2 U4 2.254(5) . ?
C1 C43 1.351(17) . ?
C1 C25 1.447(17) . ?
C1 C74 1.486(19) . ?
C2 C74 1.379(18) . ?
C2 C71 1.428(17) . ?
C2 C54 1.577(17) . ?
C3 C11 1.405(17) . ?
C3 C57 1.417(17) . ?
C3 C81 1.434(16) . ?
C4 C82 1.407(17) . ?
C4 C73 1.41(2) . ?
C4 C9 1.412(18) . ?
C5 C14 1.364(18) . ?
C5 C26 1.47(2) . ?
C5 C12 1.49(2) . ?
C6 C7 1.384(17) . ?
C6 C39 1.401(17) . ?
C6 C38 1.449(17) . ?
C7 C8 1.372(18) . ?
C7 C33 1.399(17) . ?
C8 C32 1.401(17) . ?
C8 C56 1.471(19) . ?
C9 C72 1.372(18) . ?
C9 C65 1.417(16) . ?
C10 C11 1.429(16) . ?
C10 C23 1.429(17) . ?
C10 C31 1.438(18) . ?
C11 C78 1.484(17) . ?
C12 C49 1.37(3) . ?
C12 C55 1.40(2) . ?
C13 C42 1.378(18) . ?
C13 C76 1.419(18) . ?
C13 C78 1.489(17) . ?
C14 C60 1.464(17) . ?
C14 C36 1.531(17) . ?
C15 C69 1.408(18) . ?
C15 C82 1.425(18) . ?
C15 C16 1.461(16) . ?
C16 C81 1.387(17) . ?
C16 C27 1.393(17) . ?
C17 C18 1.354(18) . ?
C17 C21 1.388(19) . ?
C17 C70 1.439(18) . ?
C18 C19 1.406(18) . ?
C18 C40 1.483(17) . ?
C19 C20 1.382(18) . ?
C19 C29 1.469(17) . ?
C20 C24 1.399(18) . ?
C20 C21 1.480(18) . ?
C21 C67 1.418(18) . ?
C22 C57 1.367(18) . ?
C22 C58 1.431(17) . ?
C22 C23 1.459(17) . ?
C23 C77 1.528(19) . ?
C24 C28 1.41(2) . ?
C24 C62 1.458(18) . ?
C25 C62 1.418(18) . ?
C25 C59 1.427(17) . ?
C26 C80 1.29(2) . ?
C26 C50 1.400(19) . ?
C27 C44 1.409(18) . ?
C27 C57 1.441(18) . ?
C28 C30 1.46(2) . ?
C28 C74 1.52(2) . ?
C29 C30 1.402(18) . ?
C29 C63 1.444(18) . ?
C30 C71 1.488(18) . ?
C31 C64 1.426(16) . ?
C31 C35 1.437(18) . ?
C32 C78 1.404(17) . ?
C32 C64 1.554(17) . ?
C33 C36 1.395(17) . ?
C33 C55 1.40(2) . ?
C34 C66 1.399(17) . ?
C34 C47 1.411(17) . ?
C34 C37 1.443(16) . ?
C35 C70 1.363(17) . ?
C35 C77 1.52(2) . ?
C36 C37 1.436(18) . ?
C37 C39 1.445(16) . ?
C38 C64 1.427(16) . ?
C38 C46 1.436(17) . ?
C39 C45 1.392(17) . ?
C40 C45 1.352(18) . ?
C40 C66 1.424(17) . ?
C41 C69 1.396(19) . ?
C41 C44 1.435(17) . ?
C41 C43 1.443(17) . ?
C42 C53 1.414(17) . ?
C42 C81 1.453(17) . ?
C43 C61 1.393(17) . ?
C44 C59 1.421(17) . ?
C45 C46 1.486(18) . ?
C46 C70 1.400(17) . ?
C47 C60 1.309(16) . ?
C47 C48 1.496(17) . ?
C48 C68 1.378(16) . ?
C48 C63 1.382(17) . ?
C49 C73 1.36(2) . ?
C49 C52 1.42(2) . ?
C50 C79 1.321(18) . ?
C50 C60 1.467(17) . ?
C51 C67 1.406(19) . ?
C51 C58 1.468(19) . ?
C51 C62 1.501(19) . ?
C52 C76 1.426(19) . ?
C52 C53 1.483(19) . ?
C53 C82 1.448(17) . ?
C54 C75 1.363(17) . ?
C54 C61 1.413(17) . ?
C55 C56 1.45(2) . ?
C56 C76 1.34(2) . ?
C58 C59 1.442(18) . ?
C61 C65 1.462(18) . ?
C63 C66 1.461(18) . ?
C65 C69 1.404(18) . ?
C67 C77 1.40(2) . ?
C68 C71 1.439(16) . ?
C68 C79 1.523(17) . ?
C72 C80 1.354(19) . ?
C72 C75 1.544(17) . ?
C73 C80 1.48(2) . ?
C75 C79 1.473(17) . ?
C1A C65A 1.41(2) . ?
C1A C33A 1.46(2) . ?
C1A C61A 1.53(2) . ?
C2A C22A 1.34(2) . ?
C2A C11A 1.35(2) . ?
C2A C57A 1.40(2) . ?
C3A C67A 1.42(2) . ?
C3A C63A 1.46(2) . ?
C3A C4A 1.47(2) . ?
C4A C49A 1.45(2) . ?
C4A C42A 1.47(2) . ?
C5A C77A 1.36(2) . ?
C5A C56A 1.44(2) . ?
C5A C82A 1.46(2) . ?
C6A C12A 1.39(2) . ?
C6A C49A 1.42(2) . ?
C6A C46A 1.44(2) . ?
C7A C57A 1.38(2) . ?
C7A C21A 1.40(2) . ?
C7A C69A 1.43(2) . ?
C8A C26A 1.39(2) . ?
C8A C59A 1.42(2) . ?
C8A C15A 1.46(2) . ?
C9A C10A 1.33(2) . ?
C9A C73A 1.35(2) . ?
C9A C11A 1.46(2) . ?
C10A C35A 1.36(2) . ?
C10A C79A 1.44(2) . ?
C11A C78A 1.34(2) . ?
C12A C13A 1.42(2) . ?
C12A C32A 1.43(2) . ?
C13A C19A 1.43(2) . ?
C13A C15A 1.44(2) . ?
C14A C27A 1.39(2) . ?
C14A C29A 1.41(2) . ?
C14A C67A 1.43(2) . ?
C15A C37A 1.47(2) . ?
C16A C28A 1.36(2) . ?
C16A C62A 1.43(3) . ?
C16A C36A 1.48(2) . ?
C17A C38A 1.40(2) . ?
C17A C39A 1.49(2) . ?
C17A C43A 1.50(2) . ?
C18A C73A 1.39(2) . ?
C18A C26A 1.43(2) . ?
C18A C19A 1.44(2) . ?
C19A C35A 1.33(2) . ?
C20A C36A 1.27(3) . ?
C20A C78A 1.35(2) . ?
C20A C82A 1.46(2) . ?
C21A C81A 1.37(2) . ?
C21A C22A 1.41(2) . ?
C22A C36A 1.38(2) . ?
C23A C51A 1.43(2) . ?
C23A C76A 1.46(2) . ?
C23A C55A 1.47(2) . ?
C24A C47A 1.40(2) . ?
C24A C43A 1.42(2) . ?
C24A C27A 1.42(2) . ?
C25A C81A 1.39(2) . ?
C25A C66A 1.43(2) . ?
C25A C68A 1.43(2) . ?
C26A C71A 1.40(2) . ?
C27A C64A 1.36(2) . ?
C28A C65A 1.42(2) . ?
C28A C81A 1.44(2) . ?
C29A C52A 1.45(2) . ?
C29A C34A 1.45(2) . ?
C30A C58A 1.32(4) . ?
C30A C67A 1.51(2) . ?
C30A C49A 1.52(2) . ?
C31A C46A 1.36(2) . ?
C31A C79A 1.43(2) . ?
C31A C42A 1.45(2) . ?
C32A C58A 1.40(2) . ?
C32A C37A 1.51(2) . ?
C33A C47A 1.46(2) . ?
C33A C38A 1.47(2) . ?
C34A C54A 1.46(2) . ?
C34A C43A 1.48(2) . ?
C35A C46A 1.43(2) . ?
C37A C48A 1.42(2) . ?
C38A C40A 1.41(2) . ?
C39A C55A 1.43(2) . ?
C39A C75A 1.44(2) . ?
C40A C66A 1.40(2) . ?
C40A C75A 1.42(2) . ?
C41A C45A 1.43(2) . ?
C41A C60A 1.45(2) . ?
C41A C80A 1.46(2) . ?
C42A C56A 1.45(2) . ?
C44A C68A 1.46(2) . ?
C44A C75A 1.47(2) . ?
C44A C76A 1.48(2) . ?
C45A C50A 1.40(2) . ?
C45A C61A 1.46(2) . ?
C47A C50A 1.41(2) . ?
C48A C53A 1.40(2) . ?
C48A C51A 1.51(4) . ?
C50A C64A 1.44(2) . ?
C51A C59A 1.47(2) . ?
C52A C58A 1.47(2) . ?
C52A C53A 1.49(2) . ?
C53A C54A 1.40(2) . ?
C54A C55A 1.47(2) . ?
C56A C60A 1.46(2) . ?
C57A C70A 1.33(2) . ?
C59A C74A 1.40(2) . ?
C60A C63A 1.50(2) . ?
C61A C62A 1.38(2) . ?
C62A C80A 1.51(2) . ?
C63A C64A 1.45(2) . ?
C65A C66A 1.45(2) . ?
C68A C69A 1.49(2) . ?
C69A C72A 1.44(2) . ?
C70A C71A 1.36(2) . ?
C70A C73A 1.42(2) . ?
C71A C72A 1.43(2) . ?
C72A C74A 1.48(2) . ?
C74A C76A 1.45(2) . ?
C77A C79A 1.34(2) . ?
C77A C78A 1.43(2) . ?
C80A C82A 1.07(3) . ?
C1S S1 1.33(4) . ?
C1S S2 1.501(15) . ?
C1S S4 1.544(16) . ?
C1S S3 1.617(14) . ?
S1 S3 0.80(4) . ?
S4 S2 0.562(13) . ?
C3S S8 1.585(19) . ?
C3S S5 1.62(2) . ?
S12 C2S 1.60(2) . ?
S6 C2S 1.60(2) . ?
S10 C4S 1.61(2) . ?
C4S S9 1.61(2) . ?

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
C6B C1B C2B 117.8(8) . . ?
C3B C2B C1B 121.2(8) . . ?
C4B C3B C2B 117.3(8) . . ?
C3B C4B C5B 122.9(8) . . ?
C6B C5B C4B 117.7(8) . . ?
C1B C6B C5B 122.7(8) . . ?
C8B C7B C9B 115(2) . 3_656 ?
C9B C8B C7B 124.2(15) . . ?
C8B C9B C7B 120.0(18) . 3_656 ?
N4 Ni1 N3 90.1(2) . . ?
N4 Ni1 N2 177.74(18) . . ?
N3 Ni1 N2 90.19(19) . . ?
N4 Ni1 N1 90.6(2) . . ?
N3 Ni1 N1 177.79(19) . . ?
N2 Ni1 N1 89.0(2) . . ?
C9N N2 C13N 104.7(5) . . ?
C9N N2 Ni1 128.3(4) . . ?
C13N N2 Ni1 127.0(5) . . ?
C23N N3 C17N 104.2(5) . . ?
C23N N3 Ni1 127.7(4) . . ?
C17N N3 Ni1 128.1(4) . . ?
C26N N4 C25N 104.0(5) . . ?
C26N N4 Ni1 127.4(4) . . ?
C25N N4 Ni1 128.5(5) . . ?
C1N N1 C4N 105.1(5) . . ?
C1N N1 Ni1 128.3(4) . . ?
C4N N1 Ni1 126.5(5) . . ?
C27N C33N C34N 129.4(6) . . ?
C27N C33N C26N 104.4(7) . . ?
C34N C33N C26N 126.2(7) . . ?
C33N C34N C35N 113.2(6) . . ?
C25N C38N C4N 125.9(5) . . ?
C37N C28N C27N 112.8(6) . . ?
C8N C29N C3N 113.4(6) . . ?
N1 C1N C5N 124.7(6) . . ?
N1 C1N C2N 111.2(6) . . ?
C5N C1N C2N 124.1(7) . . ?
C3N C2N C1N 106.0(7) . . ?
C3N C2N C6N 129.3(6) . . ?
C1N C2N C6N 124.6(7) . . ?
C2N C3N C4N 108.0(5) . . ?
C2N C3N C29N 127.3(8) . . ?
C4N C3N C29N 124.7(8) . . ?
C38N C4N N1 125.0(7) . . ?
C38N C4N C3N 125.4(6) . . ?
N1 C4N C3N 109.6(7) . . ?
C9N C5N C1N 124.7(7) . . ?
C2N C6N C32N 113.7(6) . . ?
C5N C9N N2 124.9(6) . . ?
C5N C9N C10N 123.7(7) . . ?
N2 C9N C10N 111.4(5) . . ?
C12N C10N C9N 105.9(6) . . ?
C12N C10N C11N 129.2(6) . . ?
C9N C10N C11N 124.9(6) . . ?
C10N C11N C31N 113.2(6) . . ?
C10N C12N C13N 107.0(5) . . ?
C10N C12N C14N 128.7(7) . . ?
C13N C12N C14N 124.2(6) . . ?
C16N C13N N2 125.4(6) . . ?
C16N C13N C12N 123.6(5) . . ?
N2 C13N C12N 111.0(6) . . ?
C12N C14N C15N 111.7(5) . . ?
C13N C16N C17N 125.0(4) . . ?
N3 C17N C16N 124.4(5) . . ?
N3 C17N C18N 111.9(5) . . ?
C16N C17N C18N 123.7(5) . . ?
C20N C18N C17N 106.9(5) . . ?
C20N C18N C19N 128.9(6) . . ?
C17N C18N C19N 124.1(6) . . ?
C30N C19N C18N 113.0(5) . . ?
C18N C20N C23N 104.5(6) . . ?
C18N C20N C21N 128.9(6) . . ?
C23N C20N C21N 126.5(6) . . ?
C20N C21N C22N 113.7(6) . . ?
N3 C23N C24N 125.4(6) . . ?
N3 C23N C20N 112.5(5) . . ?
C24N C23N C20N 122.1(7) . . ?
C26N C24N C23N 123.8(7) . . ?
C38N C25N N4 123.5(6) . . ?
C38N C25N C27N 125.6(5) . . ?
N4 C25N C27N 110.9(6) . . ?
N4 C26N C24N 125.5(6) . . ?
N4 C26N C33N 112.7(6) . . ?
C24N C26N C33N 121.8(8) . . ?
C33N C27N C25N 107.9(5) . . ?
C33N C27N C28N 128.0(8) . . ?
C25N C27N C28N 124.0(7) . . ?
U6 U1 U7 136.9(13) . . ?
U6 U1 U3 19.1(14) . . ?
U7 U1 U3 117.8(7) . . ?
U6 U1 U2 127.1(13) . . ?
U7 U1 U2 9.8(3) . . ?
U3 U1 U2 108.1(7) . . ?
U6 U1 U10 41.4(12) . . ?
U7 U1 U10 95.7(3) . . ?
U3 U1 U10 22.3(7) . . ?
U2 U1 U10 85.9(2) . . ?
U6 U1 U8 111.6(13) . . ?
U7 U1 U8 25.3(2) . . ?
U3 U1 U8 92.6(7) . . ?
U2 U1 U8 15.53(18) . . ?
U10 U1 U8 70.5(2) . . ?
U6 U1 U5 95.9(13) . . ?
U7 U1 U5 41.0(2) . . ?
U3 U1 U5 76.8(7) . . ?
U2 U1 U5 31.3(2) . . ?
U10 U1 U5 54.6(3) . . ?
U8 U1 U5 16.10(15) . . ?
U6 U1 U9 64.1(12) . . ?
U7 U1 U9 73.0(3) . . ?
U3 U1 U9 45.0(7) . . ?
U2 U1 U9 63.2(3) . . ?
U10 U1 U9 22.7(3) . . ?
U8 U1 U9 47.9(3) . . ?
U5 U1 U9 31.9(3) . . ?
U6 U1 U4 80.4(12) . . ?
U7 U1 U4 56.6(2) . . ?
U3 U1 U4 61.3(7) . . ?
U2 U1 U4 46.89(16) . . ?
U10 U1 U4 39.05(18) . . ?
U8 U1 U4 31.62(15) . . ?
U5 U1 U4 15.57(16) . . ?
U9 U1 U4 16.4(2) . . ?
U1 U6 U3 146(2) . . ?
U1 U6 U10 124.3(15) . . ?
U3 U6 U10 21.3(12) . . ?
U1 U6 U7 28.7(9) . . ?
U3 U6 U7 117.0(16) . . ?
U10 U6 U7 95.8(6) . . ?
U1 U6 U2 38.7(10) . . ?
U3 U6 U2 107.0(15) . . ?
U10 U6 U2 85.8(6) . . ?
U7 U6 U2 9.99(19) . . ?
U1 U6 U9 101.0(13) . . ?
U3 U6 U9 44.6(13) . . ?
U10 U6 U9 23.4(4) . . ?
U7 U6 U9 72.4(5) . . ?
U2 U6 U9 62.4(4) . . ?
U1 U6 U8 54.8(11) . . ?
U3 U6 U8 91.0(14) . . ?
U10 U6 U8 70.0(5) . . ?
U7 U6 U8 26.0(2) . . ?
U2 U6 U8 16.1(2) . . ?
U9 U6 U8 46.6(4) . . ?
U1 U6 U4 85.3(12) . . ?
U3 U6 U4 60.3(13) . . ?
U10 U6 U4 39.1(3) . . ?
U7 U6 U4 56.7(4) . . ?
U2 U6 U4 46.8(3) . . ?
U9 U6 U4 15.7(2) . . ?
U8 U6 U4 30.9(2) . . ?
U1 U6 U5 69.8(12) . . ?
U3 U6 U5 75.8(14) . . ?
U10 U6 U5 54.7(4) . . ?
U7 U6 U5 41.1(3) . . ?
U2 U6 U5 31.2(3) . . ?
U9 U6 U5 31.3(3) . . ?
U8 U6 U5 15.39(15) . . ?
U4 U6 U5 15.60(16) . . ?
U2 U7 U8 14.6(7) . . ?
U2 U7 U1 143.6(11) . . ?
U8 U7 U1 129.1(5) . . ?
U2 U7 U5 33.2(9) . . ?
U8 U7 U5 19.3(3) . . ?
U1 U7 U5 110.6(4) . . ?
U2 U7 U6 129.2(11) . . ?
U8 U7 U6 114.7(6) . . ?
U1 U7 U6 14.4(4) . . ?
U5 U7 U6 96.2(5) . . ?
U2 U7 U4 48.8(9) . . ?
U8 U7 U4 34.7(3) . . ?
U1 U7 U4 95.0(3) . . ?
U5 U7 U4 15.6(2) . . ?
U6 U7 U4 80.7(5) . . ?
U2 U7 U3 110.8(10) . . ?
U8 U7 U3 96.3(5) . . ?
U1 U7 U3 32.9(4) . . ?
U5 U7 U3 77.7(5) . . ?
U6 U7 U3 18.5(6) . . ?
U4 U7 U3 62.2(4) . . ?
U2 U7 U9 66.3(10) . . ?
U8 U7 U9 52.1(4) . . ?
U1 U7 U9 77.4(4) . . ?
U5 U7 U9 33.2(3) . . ?
U6 U7 U9 63.0(5) . . ?
U4 U7 U9 17.6(3) . . ?
U3 U7 U9 44.6(5) . . ?
U2 U7 U10 87.8(9) . . ?
U8 U7 U10 73.4(3) . . ?
U1 U7 U10 55.9(3) . . ?
U5 U7 U10 54.7(3) . . ?
U6 U7 U10 41.6(5) . . ?
U4 U7 U10 39.11(18) . . ?
U3 U7 U10 23.1(4) . . ?
U9 U7 U10 21.5(3) . . ?
U5 U8 U2 132.8(8) . . ?
U5 U8 U7 124.8(9) . . ?
U2 U8 U7 8.7(4) . . ?
U5 U8 U4 11.2(5) . . ?
U2 U8 U4 122.9(4) . . ?
U7 U8 U4 114.6(5) . . ?
U5 U8 U9 28.6(5) . . ?
U2 U8 U9 105.9(4) . . ?
U7 U8 U9 97.4(5) . . ?
U4 U8 U9 17.5(3) . . ?
U5 U8 U1 100.1(7) . . ?
U2 U8 U1 34.3(2) . . ?
U7 U8 U1 25.6(3) . . ?
U4 U8 U1 89.5(3) . . ?
U9 U8 U1 72.1(4) . . ?
U5 U8 U10 47.3(6) . . ?
U2 U8 U10 87.5(3) . . ?
U7 U8 U10 78.9(4) . . ?
U4 U8 U10 36.2(2) . . ?
U9 U8 U10 18.7(4) . . ?
U1 U8 U10 53.4(2) . . ?
U5 U8 U6 86.9(7) . . ?
U2 U8 U6 47.9(4) . . ?
U7 U8 U6 39.2(4) . . ?
U4 U8 U6 76.0(3) . . ?
U9 U8 U6 58.6(4) . . ?
U1 U8 U6 13.6(2) . . ?
U10 U8 U6 39.9(3) . . ?
U5 U8 U3 69.7(7) . . ?
U2 U8 U3 65.2(4) . . ?
U7 U8 U3 56.6(4) . . ?
U4 U8 U3 58.8(4) . . ?
U9 U8 U3 41.3(5) . . ?
U1 U8 U3 31.0(3) . . ?
U10 U8 U3 22.6(3) . . ?
U6 U8 U3 17.4(4) . . ?
U4 U9 U10 155.0(12) . . ?
U4 U9 U5 19.9(4) . . ?
U10 U9 U5 135.1(9) . . ?
U4 U9 U3 127.1(9) . . ?
U10 U9 U3 27.9(5) . . ?
U5 U9 U3 107.2(6) . . ?
U4 U9 U8 34.0(5) . . ?
U10 U9 U8 121.0(8) . . ?
U5 U9 U8 14.2(2) . . ?
U3 U9 U8 93.2(6) . . ?
U4 U9 U6 108.7(8) . . ?
U10 U9 U6 46.3(6) . . ?
U5 U9 U6 88.8(5) . . ?
U3 U9 U6 18.5(4) . . ?
U8 U9 U6 74.8(4) . . ?
U4 U9 U2 53.1(6) . . ?
U10 U9 U2 101.9(7) . . ?
U5 U9 U2 33.3(2) . . ?
U3 U9 U2 74.0(5) . . ?
U8 U9 U2 19.5(2) . . ?
U6 U9 U2 55.6(3) . . ?
U4 U9 U7 64.1(6) . . ?
U10 U9 U7 90.9(6) . . ?
U5 U9 U7 44.3(3) . . ?
U3 U9 U7 63.1(4) . . ?
U8 U9 U7 30.4(3) . . ?
U6 U9 U7 44.6(3) . . ?
U2 U9 U7 11.00(11) . . ?
U4 U9 U1 93.7(7) . . ?
U10 U9 U1 61.2(6) . . ?
U5 U9 U1 73.9(4) . . ?
U3 U9 U1 33.4(4) . . ?
U8 U9 U1 60.0(3) . . ?
U6 U9 U1 14.9(2) . . ?
U2 U9 U1 40.66(19) . . ?
U7 U9 U1 29.67(18) . . ?
U9 U10 U3 126.5(9) . . ?
U9 U10 U4 10.9(5) . . ?
U3 U10 U4 115.7(7) . . ?
U9 U10 U6 110.3(7) . . ?
U3 U10 U6 16.3(7) . . ?
U4 U10 U6 99.4(4) . . ?
U9 U10 U5 26.5(5) . . ?
U3 U10 U5 100.0(7) . . ?
U4 U10 U5 15.64(11) . . ?
U6 U10 U5 83.8(4) . . ?
U9 U10 U1 96.1(6) . . ?
U3 U10 U1 30.6(7) . . ?
U4 U10 U1 85.2(2) . . ?
U6 U10 U1 14.2(3) . . ?
U5 U10 U1 69.6(2) . . ?
U9 U10 U8 40.2(5) . . ?
U3 U10 U8 86.3(7) . . ?
U4 U10 U8 29.36(18) . . ?
U6 U10 U8 70.2(4) . . ?
U5 U10 U8 13.76(14) . . ?
U1 U10 U8 56.0(2) . . ?
U9 U10 U7 67.6(5) . . ?
U3 U10 U7 59.0(7) . . ?
U4 U10 U7 56.74(17) . . ?
U6 U10 U7 42.7(3) . . ?
U5 U10 U7 41.13(16) . . ?
U1 U10 U7 28.45(16) . . ?
U8 U10 U7 27.63(17) . . ?
U9 U10 U2 57.3(5) . . ?
U3 U10 U2 69.2(7) . . ?
U4 U10 U2 46.44(15) . . ?
U6 U10 U2 52.9(3) . . ?
U5 U10 U2 30.82(14) . . ?
U1 U10 U2 38.76(15) . . ?
U8 U10 U2 17.33(17) . . ?
U7 U10 U2 10.32(8) . . ?
U8 U5 U4 157.8(8) . . ?
U8 U5 U9 137.2(7) . . ?
U4 U5 U9 20.9(6) . . ?
U8 U5 U2 25.2(5) . . ?
U4 U5 U2 134.3(6) . . ?
U9 U5 U2 113.5(5) . . ?
U8 U5 U7 35.9(6) . . ?
U4 U5 U7 123.3(5) . . ?
U9 U5 U7 102.6(5) . . ?
U2 U5 U7 11.0(3) . . ?
U8 U5 U10 119.0(7) . . ?
U4 U5 U10 39.2(4) . . ?
U9 U5 U10 18.4(4) . . ?
U2 U5 U10 95.2(3) . . ?
U7 U5 U10 84.2(3) . . ?
U8 U5 U1 63.8(6) . . ?
U4 U5 U1 95.0(5) . . ?
U9 U5 U1 74.2(4) . . ?
U2 U5 U1 39.4(2) . . ?
U7 U5 U1 28.4(2) . . ?
U10 U5 U1 55.8(2) . . ?
U8 U5 U3 95.4(7) . . ?
U4 U5 U3 62.9(5) . . ?
U9 U5 U3 42.1(5) . . ?
U2 U5 U3 71.5(4) . . ?
U7 U5 U3 60.5(4) . . ?
U10 U5 U3 23.7(3) . . ?
U1 U5 U3 32.2(3) . . ?
U8 U5 U6 77.8(7) . . ?
U4 U5 U6 80.8(5) . . ?
U9 U5 U6 59.9(5) . . ?
U2 U5 U6 53.6(3) . . ?
U7 U5 U6 42.7(3) . . ?
U10 U5 U6 41.6(3) . . ?
U1 U5 U6 14.3(2) . . ?
U3 U5 U6 17.9(3) . . ?
U6 U3 U10 142.4(18) . . ?
U6 U3 U1 15.3(10) . . ?
U10 U3 U1 127.1(12) . . ?
U6 U3 U9 116.9(15) . . ?
U10 U3 U9 25.6(6) . . ?
U1 U3 U9 101.6(8) . . ?
U6 U3 U7 44.6(11) . . ?
U10 U3 U7 97.9(9) . . ?
U1 U3 U7 29.3(3) . . ?
U9 U3 U7 72.4(5) . . ?
U6 U3 U4 102.1(13) . . ?
U10 U3 U4 40.4(6) . . ?
U1 U3 U4 86.8(6) . . ?
U9 U3 U4 14.8(3) . . ?
U7 U3 U4 57.5(3) . . ?
U6 U3 U2 54.9(11) . . ?
U10 U3 U2 87.7(9) . . ?
U1 U3 U2 39.6(4) . . ?
U9 U3 U2 62.1(5) . . ?
U7 U3 U2 10.32(13) . . ?
U4 U3 U2 47.3(3) . . ?
U6 U3 U5 86.3(13) . . ?
U10 U3 U5 56.3(7) . . ?
U1 U3 U5 71.0(6) . . ?
U9 U3 U5 30.7(4) . . ?
U7 U3 U5 41.7(3) . . ?
U4 U3 U5 15.85(15) . . ?
U2 U3 U5 31.4(2) . . ?
U6 U3 U8 71.6(12) . . ?
U10 U3 U8 71.1(8) . . ?
U1 U3 U8 56.4(5) . . ?
U9 U3 U8 45.5(4) . . ?
U7 U3 U8 27.1(2) . . ?
U4 U3 U8 30.7(2) . . ?
U2 U3 U8 16.82(18) . . ?
U5 U3 U8 14.87(14) . . ?
U7 U2 U8 156.7(11) . . ?
U7 U2 U5 135.8(11) . . ?
U8 U2 U5 22.0(3) . . ?
U7 U2 U1 26.6(9) . . ?
U8 U2 U1 130.2(4) . . ?
U5 U2 U1 109.3(4) . . ?
U7 U2 U4 120.6(10) . . ?
U8 U2 U4 37.0(3) . . ?
U5 U2 U4 15.3(3) . . ?
U1 U2 U4 94.0(2) . . ?
U7 U2 U6 40.8(9) . . ?
U8 U2 U6 116.0(5) . . ?
U5 U2 U6 95.2(5) . . ?
U1 U2 U6 14.2(3) . . ?
U4 U2 U6 80.0(4) . . ?
U7 U2 U9 102.6(11) . . ?
U8 U2 U9 54.6(4) . . ?
U5 U2 U9 33.2(3) . . ?
U1 U2 U9 76.1(4) . . ?
U4 U2 U9 18.0(3) . . ?
U6 U2 U9 62.0(5) . . ?
U7 U2 U3 58.9(10) . . ?
U8 U2 U3 98.0(5) . . ?
U5 U2 U3 77.1(5) . . ?
U1 U2 U3 32.3(4) . . ?
U4 U2 U3 61.8(4) . . ?
U6 U2 U3 18.1(5) . . ?
U9 U2 U3 43.9(5) . . ?
U7 U2 U10 81.9(9) . . ?
U8 U2 U10 75.2(3) . . ?
U5 U2 U10 54.0(4) . . ?
U1 U2 U10 55.3(2) . . ?
U4 U2 U10 38.75(18) . . ?
U6 U2 U10 41.2(4) . . ?
U9 U2 U10 20.8(3) . . ?
U3 U2 U10 23.1(4) . . ?
U5 U4 U9 139.3(9) . . ?
U5 U4 U8 11.0(4) . . ?
U9 U4 U8 128.5(8) . . ?
U5 U4 U10 125.1(4) . . ?
U9 U4 U10 14.1(7) . . ?
U8 U4 U10 114.4(3) . . ?
U5 U4 U2 30.4(3) . . ?
U9 U4 U2 108.9(7) . . ?
U8 U4 U2 20.1(3) . . ?
U10 U4 U2 94.8(2) . . ?
U5 U4 U7 41.1(3) . . ?
U9 U4 U7 98.3(8) . . ?
U8 U4 U7 30.8(3) . . ?
U10 U4 U7 84.2(2) . . ?
U2 U4 U7 10.68(15) . . ?
U5 U4 U3 101.2(5) . . ?
U9 U4 U3 38.0(8) . . ?
U8 U4 U3 90.5(4) . . ?
U10 U4 U3 23.9(3) . . ?
U2 U4 U3 70.9(3) . . ?
U7 U4 U3 60.3(3) . . ?
U5 U4 U6 83.6(4) . . ?
U9 U4 U6 55.7(8) . . ?
U8 U4 U6 73.0(3) . . ?
U10 U4 U6 41.5(3) . . ?
U2 U4 U6 53.3(2) . . ?
U7 U4 U6 42.6(2) . . ?
U3 U4 U6 17.6(3) . . ?
U5 U4 U1 69.5(4) . . ?
U9 U4 U1 69.9(7) . . ?
U8 U4 U1 58.9(3) . . ?
U10 U4 U1 55.8(2) . . ?
U2 U4 U1 39.06(13) . . ?
U7 U4 U1 28.39(16) . . ?
U3 U4 U1 31.9(3) . . ?
U6 U4 U1 14.26(18) . . ?
C43 C1 C25 120.2(13) . . ?
C43 C1 C74 119.8(13) . . ?
C25 C1 C74 111.2(14) . . ?
C74 C2 C71 112.7(11) . . ?
C74 C2 C54 121.5(11) . . ?
C71 C2 C54 114.9(11) . . ?
C11 C3 C57 124.8(12) . . ?
C11 C3 C81 122.4(12) . . ?
C57 C3 C81 104.5(10) . . ?
C82 C4 C73 117.9(14) . . ?
C82 C4 C9 120.8(13) . . ?
C73 C4 C9 110.0(12) . . ?
C14 C5 C26 110.8(12) . . ?
C14 C5 C12 120.0(14) . . ?
C26 C5 C12 119.9(14) . . ?
C7 C6 C39 122.8(12) . . ?
C7 C6 C38 114.9(11) . . ?
C39 C6 C38 109.8(10) . . ?
C8 C7 C6 123.1(12) . . ?
C8 C7 C33 110.6(11) . . ?
C6 C7 C33 117.4(12) . . ?
C7 C8 C32 128.2(13) . . ?
C7 C8 C56 105.9(11) . . ?
C32 C8 C56 117.0(14) . . ?
C72 C9 C4 107.2(11) . . ?
C72 C9 C65 123.3(12) . . ?
C4 C9 C65 118.8(12) . . ?
C11 C10 C23 125.3(11) . . ?
C11 C10 C31 118.1(11) . . ?
C23 C10 C31 110.9(10) . . ?
C3 C11 C10 112.0(11) . . ?
C3 C11 C78 120.3(11) . . ?
C10 C11 C78 119.9(11) . . ?
C49 C12 C55 124.5(17) . . ?
C49 C12 C5 116.2(16) . . ?
C55 C12 C5 112.6(16) . . ?
C42 C13 C76 110.8(11) . . ?
C42 C13 C78 119.6(12) . . ?
C76 C13 C78 115.8(13) . . ?
C5 C14 C60 109.3(11) . . ?
C5 C14 C36 122.5(13) . . ?
C60 C14 C36 116.1(10) . . ?
C69 C15 C82 118.8(12) . . ?
C69 C15 C16 115.5(13) . . ?
C82 C15 C16 118.7(12) . . ?
C81 C16 C27 106.4(11) . . ?
C81 C16 C15 121.9(12) . . ?
C27 C16 C15 121.3(12) . . ?
C18 C17 C21 111.4(12) . . ?
C18 C17 C70 117.4(13) . . ?
C21 C17 C70 121.6(15) . . ?
C17 C18 C19 107.3(11) . . ?
C17 C18 C40 128.7(12) . . ?
C19 C18 C40 115.7(11) . . ?
C20 C19 C18 110.1(10) . . ?
C20 C19 C29 116.3(13) . . ?
C18 C19 C29 123.8(12) . . ?
C19 C20 C24 123.0(13) . . ?
C19 C20 C21 105.6(11) . . ?
C24 C20 C21 118.9(12) . . ?
C17 C21 C67 127.8(15) . . ?
C17 C21 C20 105.5(11) . . ?
C67 C21 C20 120.3(12) . . ?
C57 C22 C58 123.1(12) . . ?
C57 C22 C23 116.8(12) . . ?
C58 C22 C23 111.3(13) . . ?
C10 C23 C22 118.3(11) . . ?
C10 C23 C77 107.3(10) . . ?
C22 C23 C77 123.4(13) . . ?
C20 C24 C28 118.2(15) . . ?
C20 C24 C62 121.5(13) . . ?
C28 C24 C62 113.6(15) . . ?
C62 C25 C59 111.4(11) . . ?
C62 C25 C1 121.8(13) . . ?
C59 C25 C1 119.0(12) . . ?
C80 C26 C50 133.2(19) . . ?
C80 C26 C5 117.2(15) . . ?
C50 C26 C5 104.6(11) . . ?
C16 C27 C44 122.5(13) . . ?
C16 C27 C57 109.0(11) . . ?
C44 C27 C57 118.7(12) . . ?
C24 C28 C30 123.9(15) . . ?
C24 C28 C74 119.4(15) . . ?
C30 C28 C74 108.6(12) . . ?
C30 C29 C63 110.3(11) . . ?
C30 C29 C19 124.7(14) . . ?
C63 C29 C19 121.0(12) . . ?
C29 C30 C28 113.2(15) . . ?
C29 C30 C71 124.1(11) . . ?
C28 C30 C71 105.2(11) . . ?
C64 C31 C35 119.5(11) . . ?
C64 C31 C10 123.9(11) . . ?
C35 C31 C10 108.6(11) . . ?
C8 C32 C78 127.6(13) . . ?
C8 C32 C64 110.2(11) . . ?
C78 C32 C64 115.9(11) . . ?
C36 C33 C7 123.0(12) . . ?
C36 C33 C55 116.1(14) . . ?
C7 C33 C55 109.6(12) . . ?
C66 C34 C47 108.8(11) . . ?
C66 C34 C37 121.9(13) . . ?
C47 C34 C37 120.3(11) . . ?
C70 C35 C31 121.7(12) . . ?
C70 C35 C77 120.0(14) . . ?
C31 C35 C77 108.6(10) . . ?
C33 C36 C37 119.2(12) . . ?
C33 C36 C14 117.1(13) . . ?
C37 C36 C14 117.6(11) . . ?
C36 C37 C34 120.1(11) . . ?
C36 C37 C39 117.8(11) . . ?
C34 C37 C39 114.3(12) . . ?
C64 C38 C46 122.2(11) . . ?
C64 C38 C6 123.3(11) . . ?
C46 C38 C6 105.6(10) . . ?
C45 C39 C6 109.1(11) . . ?
C45 C39 C37 122.6(12) . . ?
C6 C39 C37 119.4(11) . . ?
C45 C40 C66 119.8(13) . . ?
C45 C40 C18 113.1(12) . . ?
C66 C40 C18 119.7(12) . . ?
C69 C41 C44 122.0(14) . . ?
C69 C41 C43 106.4(11) . . ?
C44 C41 C43 122.0(12) . . ?
C13 C42 C53 109.9(11) . . ?
C13 C42 C81 123.1(11) . . ?
C53 C42 C81 120.5(12) . . ?
C1 C43 C61 119.5(12) . . ?
C1 C43 C41 120.6(12) . . ?
C61 C43 C41 110.8(11) . . ?
C27 C44 C59 120.2(12) . . ?
C27 C44 C41 116.0(14) . . ?
C59 C44 C41 115.8(12) . . ?
C40 C45 C39 121.2(14) . . ?
C40 C45 C46 119.9(12) . . ?
C39 C45 C46 107.3(11) . . ?
C70 C46 C38 118.1(11) . . ?
C70 C46 C45 124.1(12) . . ?
C38 C46 C45 107.5(10) . . ?
C60 C47 C34 122.2(11) . . ?
C60 C47 C48 118.7(11) . . ?
C34 C47 C48 108.7(10) . . ?
C68 C48 C63 126.1(12) . . ?
C68 C48 C47 118.5(11) . . ?
C63 C48 C47 104.3(10) . . ?
C73 C49 C12 124.3(16) . . ?
C73 C49 C52 113.7(18) . . ?
C12 C49 C52 115.7(16) . . ?
C79 C50 C26 112.6(15) . . ?
C79 C50 C60 120.8(12) . . ?
C26 C50 C60 111.4(11) . . ?
C67 C51 C58 124.3(15) . . ?
C67 C51 C62 119.4(13) . . ?
C58 C51 C62 107.1(11) . . ?
C49 C52 C76 123.8(16) . . ?
C49 C52 C53 117.9(15) . . ?
C76 C52 C53 108.7(11) . . ?
C42 C53 C82 120.1(12) . . ?
C42 C53 C52 104.8(10) . . ?
C82 C53 C52 124.6(12) . . ?
C75 C54 C61 126.3(12) . . ?
C75 C54 C2 119.2(11) . . ?
C61 C54 C2 109.0(11) . . ?
C12 C55 C33 130.7(17) . . ?
C12 C55 C56 115.4(17) . . ?
C33 C55 C56 105.7(12) . . ?
C76 C56 C55 124.0(15) . . ?
C76 C56 C8 115.7(14) . . ?
C55 C56 C8 107.2(12) . . ?
C22 C57 C3 122.4(12) . . ?
C22 C57 C27 120.5(12) . . ?
C3 C57 C27 108.0(11) . . ?
C22 C58 C59 116.0(12) . . ?
C22 C58 C51 124.3(14) . . ?
C59 C58 C51 107.8(11) . . ?
C44 C59 C25 122.4(11) . . ?
C44 C59 C58 121.4(12) . . ?
C25 C59 C58 107.9(11) . . ?
C47 C60 C14 123.6(11) . . ?
C47 C60 C50 123.1(12) . . ?
C14 C60 C50 103.9(10) . . ?
C43 C61 C54 128.7(13) . . ?
C43 C61 C65 104.6(11) . . ?
C54 C61 C65 115.7(11) . . ?
C25 C62 C24 128.0(13) . . ?
C25 C62 C51 105.8(11) . . ?
C24 C62 C51 118.1(12) . . ?
C48 C63 C29 123.5(12) . . ?
C48 C63 C66 111.2(11) . . ?
C29 C63 C66 114.2(11) . . ?
C31 C64 C38 116.8(11) . . ?
C31 C64 C32 118.3(10) . . ?
C38 C64 C32 119.9(10) . . ?
C69 C65 C9 120.4(12) . . ?
C69 C65 C61 108.9(11) . . ?
C9 C65 C61 120.3(11) . . ?
C34 C66 C40 119.9(13) . . ?
C34 C66 C63 106.7(10) . . ?
C40 C66 C63 125.1(12) . . ?
C77 C67 C51 114.8(16) . . ?
C77 C67 C21 109.4(15) . . ?
C51 C67 C21 121.2(13) . . ?
C48 C68 C71 112.8(11) . . ?
C48 C68 C79 120.5(11) . . ?
C71 C68 C79 121.3(11) . . ?
C41 C69 C65 108.9(12) . . ?
C41 C69 C15 122.4(15) . . ?
C65 C69 C15 121.0(13) . . ?
C35 C70 C46 120.9(13) . . ?
C35 C70 C17 115.6(14) . . ?
C46 C70 C17 116.2(12) . . ?
C2 C71 C68 124.2(11) . . ?
C2 C71 C30 107.7(10) . . ?
C68 C71 C30 119.5(11) . . ?
C80 C72 C9 110.1(12) . . ?
C80 C72 C75 124.2(13) . . ?
C9 C72 C75 117.2(11) . . ?
C49 C73 C4 130.8(16) . . ?
C49 C73 C80 117.1(15) . . ?
C4 C73 C80 103.3(12) . . ?
C2 C74 C1 119.9(13) . . ?
C2 C74 C28 105.5(11) . . ?
C1 C74 C28 125.8(14) . . ?
C54 C75 C79 127.4(12) . . ?
C54 C75 C72 117.0(12) . . ?
C79 C75 C72 109.6(11) . . ?
C56 C76 C13 129.3(15) . . ?
C56 C76 C52 116.3(15) . . ?
C13 C76 C52 105.6(12) . . ?
C67 C77 C35 125.5(17) . . ?
C67 C77 C23 121.6(15) . . ?
C35 C77 C23 104.4(10) . . ?
C32 C78 C11 123.6(12) . . ?
C32 C78 C13 114.3(12) . . ?
C11 C78 C13 116.5(11) . . ?
C50 C79 C75 126.1(13) . . ?
C50 C79 C68 117.2(11) . . ?
C75 C79 C68 112.8(11) . . ?
C26 C80 C72 113.3(16) . . ?
C26 C80 C73 124.5(17) . . ?
C72 C80 C73 108.7(13) . . ?
C16 C81 C3 111.6(11) . . ?
C16 C81 C42 118.9(11) . . ?
C3 C81 C42 116.9(11) . . ?
C4 C82 C15 120.1(12) . . ?
C4 C82 C53 114.0(13) . . ?
C15 C82 C53 119.6(11) . . ?
C65A C1A C33A 119.3(15) . . ?
C65A C1A C61A 112.9(17) . . ?
C33A C1A C61A 114.9(13) . . ?
C22A C2A C11A 123(2) . . ?
C22A C2A C57A 105.2(14) . . ?
C11A C2A C57A 124.6(17) . . ?
C67A C3A C63A 119.7(15) . . ?
C67A C3A C4A 107.3(13) . . ?
C63A C3A C4A 124.2(15) . . ?
C49A C4A C42A 119.5(14) . . ?
C49A C4A C3A 111.6(13) . . ?
C42A C4A C3A 119.0(15) . . ?
C77A C5A C56A 123.1(16) . . ?
C77A C5A C82A 105.0(14) . . ?
C56A C5A C82A 123(2) . . ?
C12A C6A C49A 116.6(19) . . ?
C12A C6A C46A 117.3(15) . . ?
C49A C6A C46A 120.4(15) . . ?
C57A C7A C21A 103.3(13) . . ?
C57A C7A C69A 124.3(16) . . ?
C21A C7A C69A 121(2) . . ?
C26A C8A C59A 118.5(16) . . ?
C26A C8A C15A 122.0(16) . . ?
C59A C8A C15A 113(2) . . ?
C10A C9A C73A 123(2) . . ?
C10A C9A C11A 117.0(17) . . ?
C73A C9A C11A 113.9(16) . . ?
C9A C10A C35A 122(2) . . ?
C9A C10A C79A 126.4(17) . . ?
C35A C10A C79A 105.4(14) . . ?
C78A C11A C2A 117(2) . . ?
C78A C11A C9A 115.9(16) . . ?
C2A C11A C9A 118.6(16) . . ?
C6A C12A C13A 123.4(16) . . ?
C6A C12A C32A 118(2) . . ?
C13A C12A C32A 110.0(14) . . ?
C12A C13A C19A 117.7(16) . . ?
C12A C13A C15A 109.8(14) . . ?
C19A C13A C15A 122.7(17) . . ?
C27A C14A C29A 118.0(16) . . ?
C27A C14A C67A 121.3(16) . . ?
C29A C14A C67A 109(2) . . ?
C13A C15A C8A 115.7(16) . . ?
C13A C15A C37A 107.0(14) . . ?
C8A C15A C37A 123(3) . . ?
C28A C16A C62A 122(2) . . ?
C28A C16A C36A 119.0(17) . . ?
C62A C16A C36A 112(2) . . ?
C38A C17A C39A 105.6(13) . . ?
C38A C17A C43A 113(2) . . ?
C39A C17A C43A 126.9(17) . . ?
C73A C18A C26A 106.6(14) . . ?
C73A C18A C19A 127(3) . . ?
C26A C18A C19A 118.2(16) . . ?
C35A C19A C13A 119.2(17) . . ?
C35A C19A C18A 113(2) . . ?
C13A C19A C18A 119.6(16) . . ?
C36A C20A C78A 123(2) . . ?
C36A C20A C82A 124(2) . . ?
C78A C20A C82A 108.8(15) . . ?
C81A C21A C7A 119.8(19) . . ?
C81A C21A C22A 119.9(16) . . ?
C7A C21A C22A 108.8(14) . . ?
C2A C22A C36A 117.9(19) . . ?
C2A C22A C21A 109.5(14) . . ?
C36A C22A C21A 122.5(15) . . ?
C51A C23A C76A 106.6(14) . . ?
C51A C23A C55A 119(3) . . ?
C76A C23A C55A 122.5(17) . . ?
C47A C24A C43A 103(3) . . ?
C47A C24A C27A 107.4(15) . . ?
C43A C24A C27A 125(2) . . ?
C81A C25A C66A 105.9(13) . . ?
C81A C25A C68A 124(2) . . ?
C66A C25A C68A 120.5(15) . . ?
C8A C26A C71A 120.2(16) . . ?
C8A C26A C18A 121.6(16) . . ?
C71A C26A C18A 110.9(14) . . ?
C64A C27A C14A 121.9(16) . . ?
C64A C27A C24A 113.9(14) . . ?
C14A C27A C24A 118.3(16) . . ?
C16A C28A C65A 120.7(19) . . ?
C16A C28A C81A 121.6(15) . . ?
C65A C28A C81A 108.1(13) . . ?
C14A C29A C52A 119(2) . . ?
C14A C29A C34A 122.7(16) . . ?
C52A C29A C34A 109.5(14) . . ?
C58A C30A C67A 129(2) . . ?
C58A C30A C49A 116(2) . . ?
C67A C30A C49A 106.3(13) . . ?
C46A C31A C79A 104.6(13) . . ?
C46A C31A C42A 124.4(15) . . ?
C79A C31A C42A 123.7(14) . . ?
C58A C32A C12A 124(3) . . ?
C58A C32A C37A 115.9(16) . . ?
C12A C32A C37A 105.8(14) . . ?
C47A C33A C1A 119.0(15) . . ?
C47A C33A C38A 120(2) . . ?
C1A C33A C38A 115.3(15) . . ?
C29A C34A C54A 107.0(14) . . ?
C29A C34A C43A 118.8(16) . . ?
C54A C34A C43A 116.6(16) . . ?
C19A C35A C10A 122(2) . . ?
C19A C35A C46A 124.2(16) . . ?
C10A C35A C46A 109.2(14) . . ?
C20A C36A C22A 119(2) . . ?
C20A C36A C16A 118(2) . . ?
C22A C36A C16A 117.2(17) . . ?
C48A C37A C15A 127(3) . . ?
C48A C37A C32A 117.7(17) . . ?
C15A C37A C32A 106.8(13) . . ?
C17A C38A C40A 109.2(14) . . ?
C17A C38A C33A 117.6(19) . . ?
C40A C38A C33A 122.3(15) . . ?
C55A C39A C75A 122.1(17) . . ?
C55A C39A C17A 116.9(16) . . ?
C75A C39A C17A 109.2(13) . . ?
C66A C40A C38A 121.9(15) . . ?
C66A C40A C75A 119.5(15) . . ?
C38A C40A C75A 111.3(13) . . ?
C45A C41A C60A 134.6(16) . . ?
C45A C41A C80A 103.3(13) . . ?
C60A C41A C80A 106.9(19) . . ?
C31A C42A C56A 117.0(14) . . ?
C31A C42A C4A 116.3(14) . . ?
C56A C42A C4A 116.3(14) . . ?
C24A C43A C34A 111.3(16) . . ?
C24A C43A C17A 136(2) . . ?
C34A C43A C17A 112.0(15) . . ?
C68A C44A C75A 118.7(15) . . ?
C68A C44A C76A 118.2(14) . . ?
C75A C44A C76A 113.8(14) . . ?
C50A C45A C41A 113.5(15) . . ?
C50A C45A C61A 119.6(16) . . ?
C41A C45A C61A 114.3(14) . . ?
C31A C46A C35A 110.1(15) . . ?
C31A C46A C6A 119.1(17) . . ?
C35A C46A C6A 117.5(16) . . ?
C24A C47A C50A 101.9(13) . . ?
C24A C47A C33A 129(2) . . ?
C50A C47A C33A 124.4(16) . . ?
C53A C48A C37A 123.7(19) . . ?
C53A C48A C51A 128(3) . . ?
C37A C48A C51A 104(2) . . ?
C6A C49A C4A 120.1(15) . . ?
C6A C49A C30A 123(2) . . ?
C4A C49A C30A 105.2(13) . . ?
C45A C50A C47A 119.5(16) . . ?
C45A C50A C64A 115.0(15) . . ?
C47A C50A C64A 114.6(15) . . ?
C23A C51A C59A 108.6(14) . . ?
C23A C51A C48A 112(2) . . ?
C59A C51A C48A 132(2) . . ?
C29A C52A C58A 135(2) . . ?
C29A C52A C53A 105.3(13) . . ?
C58A C52A C53A 111.4(16) . . ?
C48A C53A C54A 120(2) . . ?
C48A C53A C52A 122.3(17) . . ?
C54A C53A C52A 109.3(14) . . ?
C53A C54A C34A 108.9(14) . . ?
C53A C54A C55A 114(2) . . ?
C34A C54A C55A 128.1(16) . . ?
C39A C55A C23A 115.1(16) . . ?
C39A C55A C54A 115.3(16) . . ?
C23A C55A C54A 125(2) . . ?
C5A C56A C42A 115.5(15) . . ?
C5A C56A C60A 108(2) . . ?
C42A C56A C60A 126.4(16) . . ?
C70A C57A C7A 119.8(16) . . ?
C70A C57A C2A 118.1(16) . . ?
C7A C57A C2A 112.5(14) . . ?
C30A C58A C32A 120(3) . . ?
C30A C58A C52A 102(2) . . ?
C32A C58A C52A 128.8(19) . . ?
C74A C59A C8A 123.3(16) . . ?
C74A C59A C51A 108.0(14) . . ?
C8A C59A C51A 118(2) . . ?
C41A C60A C56A 128(2) . . ?
C41A C60A C63A 110.2(14) . . ?
C56A C60A C63A 116.7(14) . . ?
C62A C61A C45A 104.3(13) . . ?
C62A C61A C1A 123.1(19) . . ?
C45A C61A C1A 122.3(14) . . ?
C61A C62A C16A 118(2) . . ?
C61A C62A C80A 110.3(14) . . ?
C16A C62A C80A 123.5(19) . . ?
C64A C63A C3A 118.3(15) . . ?
C64A C63A C60A 113.0(14) . . ?
C3A C63A C60A 117.1(14) . . ?
C27A C64A C50A 99.9(13) . . ?
C27A C64A C63A 120.0(16) . . ?
C50A C64A C63A 132.2(16) . . ?
C1A C65A C28A 123.2(19) . . ?
C1A C65A C66A 124.0(15) . . ?
C28A C65A C66A 105.2(13) . . ?
C40A C66A C25A 121.8(14) . . ?
C40A C66A C65A 116.3(14) . . ?
C25A C66A C65A 110.2(13) . . ?
C3A C67A C14A 118.5(16) . . ?
C3A C67A C30A 109.6(13) . . ?
C14A C67A C30A 126(2) . . ?
C25A C68A C44A 118.5(15) . . ?
C25A C68A C69A 113.7(19) . . ?
C44A C68A C69A 120.6(15) . . ?
C7A C69A C72A 115.0(15) . . ?
C7A C69A C68A 120.0(19) . . ?
C72A C69A C68A 120.1(14) . . ?
C57A C70A C71A 118.7(16) . . ?
C57A C70A C73A 117.9(16) . . ?
C71A C70A C73A 113.6(14) . . ?
C70A C71A C26A 103.6(13) . . ?
C70A C71A C72A 125.2(15) . . ?
C26A C71A C72A 123.3(15) . . ?
C71A C72A C69A 116.0(14) . . ?
C71A C72A C74A 115.8(14) . . ?
C69A C72A C74A 119.5(15) . . ?
C9A C73A C18A 112(3) . . ?
C9A C73A C70A 125.7(19) . . ?
C18A C73A C70A 105.3(14) . . ?
C59A C74A C76A 108.4(14) . . ?
C59A C74A C72A 118.6(17) . . ?
C76A C74A C72A 120.5(17) . . ?
C40A C75A C39A 104.7(14) . . ?
C40A C75A C44A 120.8(17) . . ?
C39A C75A C44A 123.8(17) . . ?
C74A C76A C23A 108.2(13) . . ?
C74A C76A C44A 120.9(15) . . ?
C23A C76A C44A 121.2(15) . . ?
C79A C77A C5A 124.2(16) . . ?
C79A C77A C78A 119.1(15) . . ?
C5A C77A C78A 112.4(14) . . ?
C11A C78A C20A 120(2) . . ?
C11A C78A C77A 125.2(16) . . ?
C20A C78A C77A 107.1(14) . . ?
C77A C79A C31A 115.4(17) . . ?
C77A C79A C10A 114.9(18) . . ?
C31A C79A C10A 109.7(14) . . ?
C82A C80A C41A 134(3) . . ?
C82A C80A C62A 115(3) . . ?
C41A C80A C62A 107.4(14) . . ?
C21A C81A C25A 121.4(18) . . ?
C21A C81A C28A 119.2(15) . . ?
C25A C81A C28A 110.2(13) . . ?
C80A C82A C5A 120(3) . . ?
C80A C82A C20A 127(3) . . ?
C5A C82A C20A 106.7(14) . . ?
S1 C1S S2 154(2) . . ?
S1 C1S S4 175(2) . . ?
S2 C1S S4 21.2(5) . . ?
S1 C1S S3 29.6(19) . . ?
S2 C1S S3 176.2(10) . . ?
S4 C1S S3 155.0(10) . . ?
S3 S1 C1S 95(4) . . ?
S1 S3 C1S 55(3) . . ?
S2 S4 C1S 75.0(15) . . ?
S4 S2 C1S 83.7(15) . . ?
S8 C3S S5 146(3) . . ?
S6 C2S S12 132(4) . . ?
S10 C4S S9 131(3) . . ?

_refine_diff_density_max         0.882
_refine_diff_density_min         -1.483
_refine_diff_density_rms         0.101

_shelxl_version_number           2013-2

