# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_hht22Eu
_database_code_depnum_ccdc_archive 'CCDC 2013506'
loop_
_audit_author_name
_audit_author_address
'Wuping Liao'
;Changchun institute of applied chemistry, CAS
China
;
_audit_update_record             
;
2020-07-02 deposited with the CCDC.	2020-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            
'{Eu6Co6(C88H104O8)3(CH3OH)5 (CH3O)3(CO3)(C3H7ON)6(CH3COO)2} 2(H2O)[(C2H5)3NH+]'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C301 H409 Co6 Eu6 N7 O47'
_chemical_formula_weight         6142.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 '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                   59.4388(14)
_cell_length_b                   33.8457(8)
_cell_length_c                   42.4684(18)
_cell_angle_alpha                90
_cell_angle_beta                 125.9990(10)
_cell_angle_gamma                90
_cell_volume                     69120(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9681
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      42.26

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.181
_exptl_crystal_F_000             25440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.304
_exptl_crystal_size_mid          0.283
_exptl_crystal_size_min          0.125
_exptl_absorpt_coefficient_mu    10.315
_shelx_estimated_absorpt_T_min   0.146
_shelx_estimated_absorpt_T_max   0.359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.109
_exptl_absorpt_correction_T_max  0.275
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            265518
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_av_R_equivalents  0.0783
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.911
_diffrn_reflns_theta_max         42.260
_diffrn_reflns_theta_full        42.260
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             23928
_reflns_number_gt                18897
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1333P)²+1782.3513P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         23928
_refine_ls_number_parameters     3170
_refine_ls_number_restraints     647
_refine_ls_R_factor_all          0.1026
_refine_ls_R_factor_gt           0.0806
_refine_ls_wR_factor_ref         0.2331
_refine_ls_wR_factor_gt          0.2164
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.008
_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
Eu1 Eu 0.01191(2) 0.72510(3) 0.45743(3) 0.0398(3) Uani 1 1 d . . . . .
Eu2 Eu 0.10609(2) 0.81607(3) 0.71202(3) 0.0390(3) Uani 1 1 d . . . . .
Eu3 Eu 0.15098(3) 0.74023(3) 0.78025(3) 0.0602(4) Uani 1 1 d . . . . .
Eu4 Eu 0.16672(2) 0.87817(3) 0.56099(3) 0.0378(3) Uani 1 1 d . . . . .
Eu5 Eu 0.03503(2) 0.62660(3) 0.45617(3) 0.0512(4) Uani 1 1 d . . . . .
Eu6 Eu 0.21845(2) 0.80737(3) 0.58305(3) 0.0429(3) Uani 1 1 d . . . . .
Co1 Co 0.02661(5) 0.78609(7) 0.52906(7) 0.0400(7) Uani 1 1 d . . . . .
Co2 Co 0.04513(5) 0.81101(7) 0.48054(7) 0.0378(7) Uani 1 1 d . . . . .
Co3 Co 0.11000(5) 0.86900(7) 0.64973(7) 0.0405(7) Uani 1 1 d . . . . .
Co4 Co 0.13011(5) 0.89497(7) 0.59727(7) 0.0390(7) Uani 1 1 d . . . . .
Co5 Co 0.05906(5) 0.81835(7) 0.61615(7) 0.0388(7) Uani 1 1 d . . . . .
Co6 Co 0.09940(5) 0.86356(7) 0.51629(7) 0.0424(7) Uani 1 1 d . . . . .
N1 N 0.3041(4) 0.8227(5) 0.6977(6) 0.073(5) Uani 1 1 d . . . . .
N2 N 0.0603(4) 0.6023(5) 0.3748(5) 0.098(3) Uani 1 1 d . . . . .
N3 N 0.0755(4) 0.9039(6) 0.7595(6) 0.110(3) Uani 1 1 d . . . . .
N4 N 0.1148(5) 0.6312(7) 0.7974(7) 0.145(4) Uani 1 1 d . . . . .
N5 N -0.0782(4) 0.7534(5) 0.3560(5) 0.096(3) Uani 1 1 d . . . . .
N6 N 0.1720(5) 0.9997(7) 0.5189(7) 0.135(4) Uani 1 1 d D . . . .
N7 N 0.1811(6) 0.6575(8) 0.6485(8) 0.153(9) Uani 1 1 d . U . . .
O1 O -0.0050(2) 0.7467(3) 0.4920(3) 0.045(3) Uani 1 1 d . . . . .
O2 O -0.0067(2) 0.6639(3) 0.4329(3) 0.048(3) Uani 1 1 d . . . . .
O3 O 0.0015(3) 0.5809(3) 0.4170(4) 0.061(3) Uani 1 1 d . . . . .
O4 O 0.0525(3) 0.5474(4) 0.4735(4) 0.101(5) Uani 1 1 d . . . . .
O5 O 0.0833(3) 0.6179(3) 0.4997(3) 0.074(4) Uani 1 1 d . . . . .
O6 O 0.0408(2) 0.6933(3) 0.4457(3) 0.046(3) Uani 1 1 d . . . . .
O7 O 0.0182(2) 0.7803(3) 0.4303(3) 0.039(3) Uani 1 1 d . . . . .
O8 O 0.0148(2) 0.8258(3) 0.4867(3) 0.039(3) Uani 1 1 d . . . . .
O9 O 0.1243(2) 0.8807(3) 0.5002(3) 0.041(3) Uani 1 1 d . . . . .
O10 O 0.1988(2) 0.8680(3) 0.5485(3) 0.044(3) Uani 1 1 d . . . . .
O11 O 0.2508(3) 0.8237(3) 0.5671(3) 0.048(3) Uani 1 1 d . . . . .
O12 O 0.2527(3) 0.7532(3) 0.5817(4) 0.061(3) Uani 1 1 d . . . . .
O13 O 0.2176(2) 0.7546(3) 0.6139(3) 0.058(3) Uani 1 1 d . . . . .
O14 O 0.2054(2) 0.8491(3) 0.6158(3) 0.045(3) Uani 1 1 d . . . . .
O15 O 0.1634(2) 0.9199(3) 0.6026(3) 0.040(3) Uani 1 1 d . . . . .
O16 O 0.1027(2) 0.9161(3) 0.5430(3) 0.044(3) Uani 1 1 d . . . . .
O17 O 0.1228(2) 0.8758(3) 0.7067(3) 0.040(3) Uani 1 1 d . . . . .
O18 O 0.1333(2) 0.8039(3) 0.7776(3) 0.047(3) Uani 1 1 d . . . . .
O19 O 0.1695(3) 0.7512(4) 0.8464(3) 0.072(4) Uani 1 1 d . . . . .
O20 O 0.0587(2) 0.8103(3) 0.6636(3) 0.040(3) Uani 1 1 d . . . . .
O21 O 0.0691(2) 0.8764(3) 0.6281(3) 0.045(3) Uani 1 1 d . . . . .
O22 O 0.0333(2) 0.7778(3) 0.5795(3) 0.043(3) Uani 1 1 d . . . . .
O23 O 0.07439(19) 0.8263(3) 0.4754(3) 0.039(3) Uani 1 1 d . . . . .
O24 O 0.1412(2) 0.8900(3) 0.6505(3) 0.040(3) Uani 1 1 d . . . . .
O25 O 0.0967(2) 0.8642(3) 0.5919(3) 0.036(3) Uani 1 1 d . . . . .
O26 O 0.0598(2) 0.8248(3) 0.5678(3) 0.037(3) Uani 1 1 d . . . . .
O27 O 0.0736(2) 0.8430(3) 0.5308(3) 0.039(3) Uani 1 1 d . . . . .
O28 O 0.1017(2) 0.8105(3) 0.6537(3) 0.039(3) Uani 1 1 d . . . . .
O29 O 0.1507(3) 0.7873(3) 0.7329(3) 0.053(3) Uani 1 1 d . U . . .
O30 O 0.1905(3) 0.7753(4) 0.7921(5) 0.086(4) Uani 1 1 d . . . . .
O31 O 0.0388(2) 0.6732(4) 0.5064(3) 0.055(3) Uani 1 1 d . . . . .
O32 O 0.0348(3) 0.6089(4) 0.5113(4) 0.075(4) Uani 1 1 d . . . . .
O33 O 0.0485(2) 0.7604(3) 0.5107(3) 0.041(3) Uani 1 1 d . . . . .
O34 O 0.0431(3) 0.6155(4) 0.4090(4) 0.098(3) Uani 1 1 d . . . . .
O35 O -0.0334(3) 0.7422(4) 0.4046(4) 0.096(3) Uani 1 1 d . . . . .
O36 O 0.1694(4) 0.9412(6) 0.5393(5) 0.135(4) Uani 1 1 d D . . . .
O37 O 0.2600(3) 0.8219(4) 0.6435(4) 0.058(4) Uani 1 1 d . . . . .
O38 O 0.1692(2) 0.8087(3) 0.5495(3) 0.045(3) Uani 1 1 d . . . . .
O39 O 0.13540(19) 0.8498(3) 0.5701(3) 0.034(3) Uani 1 1 d . . . . .
O40 O 0.1980(3) 0.7044(5) 0.8385(4) 0.106(5) Uani 1 1 d . . . . .
O41 O 0.1602(3) 0.6955(3) 0.7511(4) 0.070(4) Uani 1 1 d . . . . .
O42 O 0.1062(3) 0.7478(3) 0.7210(3) 0.054(3) Uani 1 1 d . . . . .
O43 O 0.1296(5) 0.6897(6) 0.7907(6) 0.145(4) Uani 1 1 d . . . . .
O44 O 0.0853(3) 0.8596(5) 0.7312(5) 0.110(3) Uani 1 1 d . . . . .
O45 O 0.1995(2) 0.7808(4) 0.5193(4) 0.073(4) Uani 1 1 d . . . . .
O46 O 0.1020(4) 0.6218(6) 0.5765(6) 0.152(7) Uiso 1 1 d . . . . .
O47 O 0.1953(4) 0.7159(6) 0.7326(6) 0.170(8) Uiso 1 1 d . . . . .
C1 C -0.0302(4) 0.7461(5) 0.4852(4) 0.041(4) Uani 1 1 d . U . . .
C2 C -0.0419(3) 0.7794(6) 0.4882(5) 0.043(5) Uani 1 1 d . U . . .
C3 C -0.0686(4) 0.7775(6) 0.4792(6) 0.068(6) Uani 1 1 d . U . . .
H3A H -0.079927 0.797210 0.458435 0.081 Uiso 1 1 calc R U . . .
H3B H -0.066961 0.786968 0.502465 0.081 Uiso 1 1 calc R U . . .
C4 C -0.0843(4) 0.7428(7) 0.4673(6) 0.073(6) Uani 1 1 d D U . . .
C5 C -0.0720(5) 0.7100(7) 0.4654(6) 0.081(6) Uani 1 1 d . U . . .
H5A H -0.081699 0.685595 0.458505 0.097 Uiso 1 1 calc R U . . .
C6 C -0.0457(4) 0.7108(6) 0.4731(5) 0.058(5) Uani 1 1 d . . . . .
C7 C -0.0347(4) 0.6717(6) 0.4691(5) 0.064(6) Uani 1 1 d . . . . .
H7A H -0.036724 0.651312 0.484058 0.077 Uiso 1 1 calc R U . . .
H7B H -0.014596 0.674832 0.481496 0.077 Uiso 1 1 calc R U . . .
C8 C -0.0342(4) 0.6525(5) 0.4117(5) 0.046(5) Uani 1 1 d . U . . .
C9 C -0.0486(4) 0.6562(5) 0.4277(5) 0.047(5) Uani 1 1 d . U . . .
C11 C -0.0902(4) 0.6297(5) 0.3674(6) 0.057(5) Uani 1 1 d . U . . .
C12 C -0.0749(4) 0.6271(5) 0.3527(5) 0.057(5) Uani 1 1 d . U . . .
H12A H -0.083852 0.617534 0.326938 0.069 Uiso 1 1 calc R U . . .
C13 C -0.0472(4) 0.6376(5) 0.3736(5) 0.044(5) Uani 1 1 d . U . . .
C14 C -0.0323(4) 0.6340(5) 0.3551(5) 0.053(5) Uani 1 1 d . . . . .
H14A H -0.043502 0.647196 0.329363 0.063 Uiso 1 1 calc R U . . .
H14B H -0.014331 0.648131 0.371395 0.063 Uiso 1 1 calc R U . . .
C15 C -0.0100(4) 0.5668(7) 0.3813(7) 0.060(5) Uani 1 1 d . . . . .
C16 C -0.0269(4) 0.5924(6) 0.3497(6) 0.053(5) Uani 1 1 d . . . . .
C17 C -0.0382(4) 0.5787(6) 0.3119(6) 0.058(5) Uani 1 1 d . U . . .
H17A H -0.031700 0.596798 0.300472 0.069 Uiso 1 1 calc R U . . .
H17B H -0.058638 0.581906 0.296477 0.069 Uiso 1 1 calc R U . . .
C18 C -0.0330(4) 0.5392(6) 0.3056(6) 0.066(6) Uani 1 1 d . . . . .
C19 C -0.0167(4) 0.5148(6) 0.3380(8) 0.065(6) Uani 1 1 d . . . . .
H19A H -0.013414 0.488287 0.334281 0.078 Uiso 1 1 calc R U . . .
C20 C -0.0056(4) 0.5278(7) 0.3743(7) 0.061(6) Uani 1 1 d . . . . .
C21 C 0.0125(5) 0.5007(6) 0.4082(6) 0.082(7) Uani 1 1 d . . . . .
H21A H 0.010814 0.507782 0.429326 0.098 Uiso 1 1 calc R U . . .
H21B H 0.005688 0.473264 0.400056 0.098 Uiso 1 1 calc R U . . .
C22 C 0.0610(6) 0.5248(7) 0.4559(8) 0.081(7) Uani 1 1 d . U . . .
C23 C 0.0424(5) 0.5024(6) 0.4235(6) 0.068(6) Uani 1 1 d . . . . .
C24 C 0.0504(5) 0.4822(7) 0.4054(7) 0.086(7) Uani 1 1 d . U . . .
H24A H 0.036851 0.467355 0.383113 0.103 Uiso 1 1 calc R U . . .
C25 C 0.0779(7) 0.4815(7) 0.4173(8) 0.098(8) Uani 1 1 d . . . . .
C26 C 0.0967(5) 0.5018(7) 0.4515(9) 0.109(8) Uani 1 1 d . . . . .
H26A H 0.106644 0.520472 0.445719 0.130 Uiso 1 1 calc R U . . .
H26B H 0.110647 0.482232 0.470201 0.130 Uiso 1 1 calc R U . . .
C27 C 0.0883(6) 0.5234(6) 0.4714(7) 0.083(7) Uani 1 1 d . . . . .
C28 C 0.1065(3) 0.6196(5) 0.5000(4) 0.066(6) Uani 1 1 d G . . . .
C29 C 0.1199(3) 0.5846(4) 0.5033(4) 0.076(6) Uani 1 1 d G U . . .
C30 C 0.1428(3) 0.5853(4) 0.5021(4) 0.099(7) Uani 1 1 d G U . . .
H33A H 0.151978 0.561328 0.504310 0.119 Uiso 1 1 calc R U . . .
C31 C 0.1522(3) 0.6209(6) 0.4976(4) 0.098(7) Uani 1 1 d DG U . . .
C32 C 0.1387(4) 0.6559(4) 0.4943(4) 0.079(6) Uani 1 1 d G . . . .
H32A H 0.145147 0.680315 0.491230 0.095 Uiso 1 1 calc R U . . .
C33 C 0.1159(3) 0.6553(4) 0.4955(4) 0.057(5) Uani 1 1 d G . . . .
C34 C 0.1014(4) 0.6927(5) 0.4909(5) 0.050(5) Uani 1 1 d . . . . .
H34A H 0.115428 0.713612 0.505849 0.060 Uiso 1 1 calc R U . . .
H34B H 0.090844 0.689390 0.502042 0.060 Uiso 1 1 calc R U . . .
C35 C 0.0526(5) 0.7066(5) 0.4282(6) 0.038(4) Uani 1 1 d . . . . .
C36 C 0.0815(5) 0.7060(5) 0.4488(6) 0.054(5) Uani 1 1 d . . . . .
C37 C 0.0931(4) 0.7190(5) 0.4303(7) 0.054(5) Uani 1 1 d . . . . .
H37A H 0.112747 0.718346 0.444577 0.065 Uiso 1 1 calc R U . . .
C38 C 0.0781(5) 0.7328(6) 0.3931(7) 0.062(6) Uani 1 1 d D . . . .
C39 C 0.0495(5) 0.7340(5) 0.3736(5) 0.050(5) Uani 1 1 d . . . . .
H39A H 0.038270 0.743589 0.347638 0.060 Uiso 1 1 calc R U . . .
C40 C 0.0365(4) 0.7216(5) 0.3907(6) 0.042(5) Uani 1 1 d . . . . .
C41 C 0.0054(3) 0.7286(5) 0.3692(5) 0.044(5) Uani 1 1 d . . . . .
H41A H -0.004858 0.715548 0.343417 0.053 Uiso 1 1 calc R U . . .
H41B H -0.000945 0.716849 0.384092 0.053 Uiso 1 1 calc R U . . .
C42 C 0.0053(3) 0.7967(6) 0.3935(5) 0.029(4) Uani 1 1 d . . . . .
C43 C -0.0011(3) 0.7719(5) 0.3638(6) 0.038(4) Uani 1 1 d . . . . .
C44 C -0.0135(3) 0.7881(6) 0.3269(5) 0.039(4) Uani 1 1 d . . . . .
H44A H -0.018630 0.770775 0.306044 0.046 Uiso 1 1 calc R U . . .
C45 C -0.0185(3) 0.8272(6) 0.3192(4) 0.038(5) Uani 1 1 d D . . . .
C46 C -0.0113(3) 0.8511(5) 0.3502(6) 0.038(4) Uani 1 1 d . . . . .
H46A H -0.014590 0.878731 0.345954 0.046 Uiso 1 1 calc R U . . .
C47 C 0.0007(3) 0.8363(6) 0.3876(5) 0.030(4) Uani 1 1 d . . . . .
C48 C 0.0067(3) 0.8653(4) 0.4192(5) 0.039(4) Uani 1 1 d . . . . .
H48A H 0.025479 0.860123 0.443308 0.047 Uiso 1 1 calc R U . . .
H48B H 0.006467 0.892649 0.410685 0.047 Uiso 1 1 calc R U . . .
C49 C -0.0105(4) 0.8418(5) 0.4595(5) 0.036(4) Uani 1 1 d . U . . .
C50 C -0.0148(4) 0.8614(4) 0.4276(5) 0.032(4) Uani 1 1 d . . . . .
C51 C -0.0408(5) 0.8775(5) 0.4005(5) 0.055(5) Uani 1 1 d . . . . .
H51A H -0.043494 0.891110 0.378957 0.066 Uiso 1 1 calc R U . . .
C52 C -0.0631(5) 0.8753(6) 0.4028(5) 0.064(6) Uani 1 1 d . . . . .
C53 C -0.0584(4) 0.8572(5) 0.4350(6) 0.055(5) Uani 1 1 d . U . . .
H53A H -0.072841 0.855477 0.438273 0.066 Uiso 1 1 calc R U . . .
C54 C -0.0317(4) 0.8408(5) 0.4637(5) 0.044(5) Uani 1 1 d . U . . .
C55 C -0.0285(3) 0.8197(5) 0.4986(5) 0.049(5) Uani 1 1 d . . . . .
H55A H -0.008444 0.816868 0.519988 0.059 Uiso 1 1 calc R U . . .
H55B H -0.036924 0.836360 0.508293 0.059 Uiso 1 1 calc R U . . .
C56 C 0.1151(3) 0.8966(4) 0.4646(5) 0.031(4) Uani 1 1 d . . . . .
C57 C 0.0906(4) 0.9193(5) 0.4446(5) 0.036(4) Uani 1 1 d . U . . .
C58 C 0.0815(3) 0.9365(5) 0.4095(6) 0.047(5) Uani 1 1 d . . . . .
H58A H 0.065293 0.952475 0.396533 0.056 Uiso 1 1 calc R U . . .
C59 C 0.0958(4) 0.9311(5) 0.3924(4) 0.043(5) Uani 1 1 d D . . . .
C60 C 0.1192(4) 0.9074(5) 0.4127(6) 0.041(5) Uani 1 1 d . . . . .
H60A H 0.129076 0.902737 0.401797 0.050 Uiso 1 1 calc R U . . .
C61 C 0.1291(4) 0.8900(5) 0.4486(5) 0.038(4) Uani 1 1 d . . . . .
C62 C 0.1547(4) 0.8649(5) 0.4666(5) 0.048(5) Uani 1 1 d . . . . .
H62A H 0.151680 0.846208 0.446523 0.058 Uiso 1 1 calc R U . . .
H62B H 0.156334 0.848899 0.487433 0.058 Uiso 1 1 calc R U . . .
C63 C 0.2021(4) 0.8860(5) 0.5227(6) 0.038(4) Uani 1 1 d . U . . .
C64 C 0.1823(4) 0.8854(5) 0.4839(5) 0.042(5) Uani 1 1 d . . . . .
C65 C 0.1877(4) 0.9030(6) 0.4595(6) 0.066(6) Uani 1 1 d . . . . .
H65A H 0.173868 0.901995 0.432150 0.080 Uiso 1 1 calc R U . . .
C66 C 0.2126(5) 0.9221(5) 0.4738(6) 0.061(5) Uani 1 1 d D U . . .
C67 C 0.2327(4) 0.9233(5) 0.5137(6) 0.057(5) Uani 1 1 d . . . . .
H67A H 0.249747 0.936784 0.524051 0.068 Uiso 1 1 calc R U . . .
C68 C 0.2280(4) 0.9046(5) 0.5386(6) 0.054(5) Uani 1 1 d . . . . .
C69 C 0.2507(4) 0.9055(5) 0.5822(6) 0.056(5) Uani 1 1 d . . . . .
H69A H 0.255885 0.933383 0.590338 0.067 Uiso 1 1 calc R U . . .
H69B H 0.242961 0.894872 0.595707 0.067 Uiso 1 1 calc R U . . .
C70 C 0.2753(5) 0.8429(6) 0.5860(5) 0.048(5) Uani 1 1 d . . . . .
C71 C 0.2769(4) 0.8827(6) 0.5960(5) 0.052(5) Uani 1 1 d . U . . .
C72 C 0.3030(5) 0.9005(6) 0.6195(6) 0.070(6) Uani 1 1 d . . . . .
H72A H 0.304379 0.927468 0.626559 0.084 Uiso 1 1 calc R U . . .
C73 C 0.3270(4) 0.8790(9) 0.6327(6) 0.080(7) Uani 1 1 d D . . . .
C74 C 0.3240(6) 0.8406(8) 0.6195(7) 0.079(7) Uani 1 1 d . . . . .
H74A H 0.340223 0.826563 0.626531 0.095 Uiso 1 1 calc R U . . .
C75 C 0.2990(5) 0.8223(7) 0.5969(6) 0.056(5) Uani 1 1 d . . . . .
C76 C 0.2989(4) 0.7815(7) 0.5840(6) 0.066(6) Uani 1 1 d . . . . .
H76A H 0.314600 0.778958 0.581825 0.079 Uiso 1 1 calc R U . . .
H76B H 0.281525 0.777634 0.557596 0.079 Uiso 1 1 calc R U . . .
C77 C 0.2778(5) 0.7366(7) 0.6069(6) 0.070(6) Uani 1 1 d . . . . .
C78 C 0.3013(5) 0.7491(6) 0.6097(6) 0.065(6) Uani 1 1 d . . . . .
C79 C 0.3268(5) 0.7308(7) 0.6363(7) 0.075(6) Uani 1 1 d . . . . .
H79A H 0.342716 0.739417 0.638126 0.090 Uiso 1 1 calc R U . . .
C80 C 0.3296(5) 0.7004(7) 0.6604(6) 0.071(6) Uani 1 1 d . U . . .
C81 C 0.3063(5) 0.6870(6) 0.6565(7) 0.076(6) Uani 1 1 d . . . . .
H81A H 0.308074 0.665464 0.672136 0.091 Uiso 1 1 calc R U . . .
C82 C 0.2803(5) 0.7037(7) 0.6303(7) 0.070(6) Uani 1 1 d . . . . .
C83 C 0.2558(4) 0.6908(5) 0.6293(6) 0.066(6) Uani 1 1 d . . . . .
H83A H 0.256655 0.661907 0.633398 0.079 Uiso 1 1 calc R U . . .
H83B H 0.238436 0.696924 0.603531 0.079 Uiso 1 1 calc R U . . .
C84 C 0.2361(4) 0.7427(6) 0.6517(7) 0.057(5) Uani 1 1 d . U . . .
C85 C 0.2559(4) 0.7122(6) 0.6612(8) 0.069(6) Uani 1 1 d . . . . .
C86 C 0.2747(5) 0.7034(7) 0.7006(9) 0.089(8) Uani 1 1 d . . . . .
H86A H 0.287602 0.682729 0.707493 0.107 Uiso 1 1 calc R U . . .
C87 C 0.2760(4) 0.7225(8) 0.7305(6) 0.077(7) Uani 1 1 d D . . . .
C88 C 0.2551(5) 0.7516(6) 0.7184(7) 0.074(6) Uani 1 1 d . . . . .
H88A H 0.254714 0.765106 0.737753 0.089 Uiso 1 1 calc R U . . .
C89 C 0.2353(4) 0.7609(6) 0.6800(6) 0.061(6) Uani 1 1 d . . . . .
C90 C 0.2140(4) 0.7914(5) 0.6715(5) 0.058(5) Uani 1 1 d . . . . .
H90A H 0.195136 0.784602 0.659541 0.069 Uiso 1 1 calc R U . . .
C91 C 0.2189(4) 0.8598(6) 0.6539(6) 0.048(5) Uani 1 1 d . . . . .
C92 C 0.2240(4) 0.8317(6) 0.6827(6) 0.052(5) Uani 1 1 d . U . . .
C93 C 0.2386(4) 0.8460(8) 0.7214(6) 0.070(6) Uani 1 1 d . . . . .
H93A H 0.242599 0.827812 0.741108 0.084 Uiso 1 1 calc R U . . .
C94 C 0.2472(4) 0.8843(9) 0.7323(6) 0.066(6) Uani 1 1 d D . . . .
C95 C 0.2416(4) 0.9115(7) 0.7046(8) 0.067(6) Uani 1 1 d . . . . .
H95A H 0.246998 0.938336 0.711692 0.080 Uiso 1 1 calc R U . . .
C96 C 0.2273(3) 0.8991(7) 0.6647(6) 0.049(5) Uani 1 1 d . . . . .
C97 C 0.2211(3) 0.9314(5) 0.6366(6) 0.056(5) Uani 1 1 d . . . . .
H97A H 0.212687 0.919592 0.610580 0.067 Uiso 1 1 calc R U . . .
H97B H 0.238879 0.943902 0.644807 0.067 Uiso 1 1 calc R U . . .
C98 C 0.1739(4) 0.9550(6) 0.6180(5) 0.047(5) Uani 1 1 d . . . . .
C99 C 0.2020(5) 0.9629(5) 0.6332(6) 0.065(6) Uani 1 1 d . . . . .
C100 C 0.2129(4) 1.0004(7) 0.6489(7) 0.090(7) Uani 1 1 d . U . . .
H10A H 0.228767 0.996220 0.676357 0.108 Uiso 1 1 calc R U . . .
H10B H 0.220761 1.010626 0.635403 0.108 Uiso 1 1 calc R U . . .
C101 C 0.1971(5) 1.0312(6) 0.6488(7) 0.099(7) Uani 1 1 d D U . . .
C102 C 0.1701(4) 1.0223(6) 0.6346(6) 0.083(7) Uani 1 1 d . . . . .
H10C H 0.159174 1.041883 0.635800 0.100 Uiso 1 1 calc R U . . .
C103 C 0.1582(4) 0.9858(6) 0.6185(5) 0.050(5) Uani 1 1 d . U . . .
C104 C 0.1279(3) 0.9808(5) 0.5996(5) 0.049(5) Uani 1 1 d . . . . .
H10D H 0.121740 1.000707 0.610050 0.058 Uiso 1 1 calc R U . . .
H10E H 0.124511 0.954254 0.605827 0.058 Uiso 1 1 calc R U . . .
C105 C 0.1000(3) 0.9527(6) 0.5294(5) 0.043(5) Uani 1 1 d . U . . .
C106 C 0.1108(3) 0.9855(6) 0.5548(5) 0.044(5) Uani 1 1 d . . . . .
C107 C 0.1069(4) 1.0232(6) 0.5404(6) 0.058(5) Uani 1 1 d . . . . .
H10F H 0.113991 1.044755 0.558098 0.070 Uiso 1 1 calc R U . . .
C108 C 0.0934(5) 1.0306(5) 0.5019(6) 0.070(6) Uani 1 1 d D . . . .
C109 C 0.0826(4) 0.9990(6) 0.4762(6) 0.063(5) Uani 1 1 d . U . . .
H10G H 0.072937 1.003781 0.449133 0.076 Uiso 1 1 calc R U . . .
C110 C 0.0858(3) 0.9598(5) 0.4896(5) 0.042(5) Uani 1 1 d . U . . .
C111 C 0.0733(3) 0.9281(4) 0.4598(4) 0.038(4) Uani 1 1 d . . . . .
H11A H 0.054366 0.936147 0.437701 0.046 Uiso 1 1 calc R U . . .
H11B H 0.071659 0.903719 0.471138 0.046 Uiso 1 1 calc R U . . .
C112 C 0.1327(4) 0.9097(6) 0.7254(5) 0.041(5) Uani 1 1 d . . . . .
C113 C 0.1233(4) 0.9468(6) 0.7054(5) 0.047(5) Uani 1 1 d . . . . .
C114 C 0.1354(4) 0.9816(6) 0.7248(6) 0.077(6) Uani 1 1 d . . . . .
H11C H 0.128900 1.005784 0.710860 0.093 Uiso 1 1 calc R U . . .
C115 C 0.1572(5) 0.9824(7) 0.7649(7) 0.088(7) Uani 1 1 d . U . . .
C116 C 0.1657(5) 0.9465(6) 0.7849(6) 0.098(8) Uani 1 1 d . . . . .
H11D H 0.179859 0.946533 0.812151 0.118 Uiso 1 1 calc R U . . .
C117 C 0.1538(4) 0.9106(5) 0.7660(6) 0.054(5) Uani 1 1 d . U . . .
C118 C 0.1648(4) 0.8744(5) 0.7906(5) 0.057(5) Uani 1 1 d . . . . .
H11E H 0.185177 0.877568 0.809712 0.069 Uiso 1 1 calc R U . . .
H11F H 0.161663 0.851830 0.773693 0.069 Uiso 1 1 calc R U . . .
C119 C 0.1394(4) 0.8284(6) 0.8068(6) 0.055(5) Uani 1 1 d . U . . .
C120 C 0.1530(4) 0.8635(6) 0.8131(5) 0.053(5) Uani 1 1 d . U . . .
C121 C 0.1581(4) 0.8893(6) 0.8429(6) 0.077(6) Uani 1 1 d . . . . .
H12B H 0.178424 0.894209 0.860263 0.093 Uiso 1 1 calc R U . . .
H12C H 0.149108 0.914825 0.830533 0.093 Uiso 1 1 calc R U . . .
C122 C 0.1498(5) 0.8784(7) 0.8666(6) 0.083(7) Uani 1 1 d D U . . .
C123 C 0.1362(5) 0.8428(7) 0.8600(6) 0.078(6) Uani 1 1 d . . . . .
H12D H 0.130654 0.835616 0.876160 0.093 Uiso 1 1 calc R U . . .
C124 C 0.1304(4) 0.8174(6) 0.8306(6) 0.066(6) Uani 1 1 d . . . . .
C125 C 0.1177(4) 0.7780(6) 0.8261(5) 0.070(6) Uani 1 1 d . . . . .
H12E H 0.100083 0.781890 0.823166 0.084 Uiso 1 1 calc R U . . .
H12F H 0.113148 0.765684 0.801841 0.084 Uiso 1 1 calc R U . . .
C126 C 0.1615(5) 0.7394(6) 0.8684(6) 0.069(6) Uani 1 1 d . U . . .
C127 C 0.1355(5) 0.7502(6) 0.8589(7) 0.081(6) Uani 1 1 d . U . . .
C128 C 0.1275(6) 0.7357(7) 0.8828(8) 0.115(9) Uani 1 1 d . . . . .
H12G H 0.110301 0.743802 0.877556 0.138 Uiso 1 1 calc R U . . .
C129 C 0.1451(6) 0.7092(8) 0.9144(8) 0.102(8) Uani 1 1 d D U . . .
C130 C 0.1797(5) 0.7139(7) 0.9017(7) 0.094(7) Uani 1 1 d . U . . .
C131 C 0.2071(5) 0.7024(8) 0.9128(7) 0.111(8) Uani 1 1 d . U . . .
H13A H 0.219122 0.696424 0.941031 0.133 Uiso 1 1 calc R U . . .
H13B H 0.215413 0.725023 0.908322 0.133 Uiso 1 1 calc R U . . .
C132 C 0.2067(5) 0.6664(8) 0.8905(9) 0.112(8) Uani 1 1 d . U . . .
C133 C 0.1075(4) 0.6796(5) 0.6802(5) 0.076(6) Uani 1 1 d . . . . .
H13C H 0.099559 0.671937 0.653058 0.091 Uiso 1 1 calc R U . . .
H13D H 0.118480 0.703938 0.686160 0.091 Uiso 1 1 calc R U . . .
C134 C 0.0834(5) 0.6885(7) 0.6833(6) 0.072(6) Uani 1 1 d . U . . .
C135 C 0.0601(7) 0.6632(6) 0.6654(6) 0.085(7) Uani 1 1 d . . . . .
H13E H 0.059969 0.640521 0.652082 0.102 Uiso 1 1 calc R U . . .
C136 C 0.0376(5) 0.6694(7) 0.6662(7) 0.088(7) Uani 1 1 d D . . . .
C137 C 0.0387(5) 0.7027(7) 0.6849(6) 0.073(6) Uani 1 1 d . . . . .
H13F H 0.023500 0.708073 0.685976 0.087 Uiso 1 1 calc R U . . .
C138 C 0.0610(5) 0.7298(6) 0.7028(5) 0.056(5) Uani 1 1 d . . . . .
C139 C 0.0580(4) 0.7660(5) 0.7200(5) 0.053(5) Uani 1 1 d . . . . .
H13G H 0.054916 0.758226 0.739643 0.064 Uiso 1 1 calc R U . . .
H13H H 0.075491 0.781413 0.733417 0.064 Uiso 1 1 calc R U . . .
C140 C 0.0360(5) 0.8129(6) 0.6631(5) 0.046(5) Uani 1 1 d . . . . .
C141 C 0.0347(4) 0.7913(6) 0.6903(6) 0.050(5) Uani 1 1 d . . . . .
C142 C 0.0107(5) 0.7940(6) 0.6887(6) 0.072(6) Uani 1 1 d . U . . .
H14C H 0.010187 0.779926 0.707636 0.087 Uiso 1 1 calc R U . . .
C143 C -0.0122(4) 0.8156(6) 0.6615(8) 0.072(6) Uani 1 1 d D . . . .
C144 C -0.0099(5) 0.8357(6) 0.6353(6) 0.068(6) Uani 1 1 d . . . . .
H14D H -0.025498 0.850710 0.615669 0.082 Uiso 1 1 calc R U . . .
C145 C 0.0129(5) 0.8357(6) 0.6354(6) 0.050(5) Uani 1 1 d . . . . .
C146 C 0.0132(3) 0.8622(5) 0.6071(5) 0.052(5) Uani 1 1 d . . . . .
H14E H -0.006131 0.869822 0.585844 0.063 Uiso 1 1 calc R U . . .
H14F H 0.021105 0.847734 0.595492 0.063 Uiso 1 1 calc R U . . .
C147 C 0.0574(4) 0.9059(6) 0.6373(5) 0.048(5) Uani 1 1 d . . . . .
C148 C 0.0304(4) 0.8995(6) 0.6276(5) 0.046(5) Uani 1 1 d . . . . .
C149 C 0.0198(4) 0.9288(7) 0.6372(5) 0.058(5) Uani 1 1 d . . . . .
H14G H 0.001908 0.924981 0.631310 0.069 Uiso 1 1 calc R U . . .
C150 C 0.0334(5) 0.9640(6) 0.6550(6) 0.064(6) Uani 1 1 d D . . . .
C151 C 0.0589(5) 0.9693(5) 0.6626(5) 0.055(5) Uani 1 1 d . . . . .
H15A H 0.068370 0.993556 0.673904 0.066 Uiso 1 1 calc R U . . .
C152 C 0.0715(4) 0.9409(6) 0.6546(5) 0.047(5) Uani 1 1 d . . . . .
C153 C 0.1690(6) 0.7012(7) 0.9220(8) 0.113(8) Uani 1 1 d . U . . .
H15B H 0.180788 0.684681 0.943909 0.136 Uiso 1 1 calc R U . . .
C154 C 0.2026(6) 0.6686(11) 0.8559(8) 0.117(10) Uani 1 1 d . . . . .
C155 C 0.2110(6) 0.6294(10) 0.9098(9) 0.151(11) Uani 1 1 d . U . . .
H15C H 0.214258 0.628116 0.934563 0.181 Uiso 1 1 calc R U . . .
C156 C 0.2102(7) 0.5929(10) 0.8894(11) 0.156(11) Uani 1 1 d D U . . .
C157 C 0.2068(7) 0.5977(10) 0.8548(9) 0.176(16) Uani 1 1 d . . . . .
H15D H 0.206704 0.575162 0.841306 0.211 Uiso 1 1 calc R U . . .
C158 C 0.2036(6) 0.6351(11) 0.8393(8) 0.126(10) Uani 1 1 d . . . . .
C159 C 0.1998(7) 0.6361(8) 0.8002(10) 0.146(12) Uani 1 1 d . . . . .
H15E H 0.205176 0.662704 0.797071 0.176 Uiso 1 1 calc R U . . .
H15F H 0.212843 0.616912 0.801497 0.176 Uiso 1 1 calc R U . . .
C160 C 0.1526(4) 0.6569(4) 0.7404(5) 0.083(6) Uani 1 1 d G U . . .
C161 C 0.1710(3) 0.6272(6) 0.7644(4) 0.127(10) Uani 1 1 d G . . . .
C162 C 0.1633(4) 0.5878(5) 0.7552(5) 0.130(9) Uani 1 1 d G U . . .
H16A H 0.175877 0.567508 0.771689 0.156 Uiso 1 1 calc R U . . .
C163 C 0.1373(4) 0.5780(4) 0.7220(6) 0.135(10) Uani 1 1 d DG U . . .
C164 C 0.1189(3) 0.6077(5) 0.6979(4) 0.138(11) Uani 1 1 d G . . . .
H16B H 0.101082 0.600977 0.675178 0.165 Uiso 1 1 calc R U . . .
C165 C 0.1266(3) 0.6471(4) 0.7071(4) 0.079(6) Uani 1 1 d G U . . .
C166 C 0.0771(4) 0.8444(5) 0.5639(7) 0.036(4) Uani 1 1 d . . . . .
C167 C 0.1673(4) 0.9060(5) 0.6829(5) 0.061(5) Uani 1 1 d . . . . .
H16C H 0.169373 0.900788 0.707129 0.091 Uiso 1 1 calc R U . . .
H16D H 0.182674 0.893642 0.684001 0.091 Uiso 1 1 calc R U . . .
H16E H 0.167598 0.934633 0.679431 0.091 Uiso 1 1 calc R U . . .
C168 C 0.0181(4) 0.7517(6) 0.5871(5) 0.069(6) Uani 1 1 d . . . . .
H16F H 0.025648 0.753107 0.614706 0.103 Uiso 1 1 calc R U . . .
H16G H -0.001536 0.759410 0.571194 0.103 Uiso 1 1 calc R U . . .
H16H H 0.019774 0.724559 0.580580 0.103 Uiso 1 1 calc R U . . .
C169 C 0.0740(3) 0.8183(5) 0.4422(5) 0.045(5) Uani 1 1 d . U . . .
H16I H 0.059710 0.798562 0.425818 0.067 Uiso 1 1 calc R U . . .
H16J H 0.069940 0.842706 0.427302 0.067 Uiso 1 1 calc R U . . .
H16K H 0.092248 0.808188 0.450669 0.067 Uiso 1 1 calc R U . . .
C170 C 0.0760(3) 0.7474(5) 0.5393(4) 0.045(5) Uani 1 1 d . . . . .
H17C H 0.083837 0.735817 0.526599 0.068 Uiso 1 1 calc R U . . .
H17D H 0.087403 0.769843 0.555385 0.068 Uiso 1 1 calc R U . . .
H17E H 0.075737 0.727404 0.555865 0.068 Uiso 1 1 calc R U . . .
C171 C 0.1128(4) 0.7791(5) 0.6440(5) 0.052(5) Uani 1 1 d . . . . .
H17F H 0.106721 0.753655 0.647681 0.078 Uiso 1 1 calc R U . . .
H17G H 0.106080 0.781725 0.616838 0.078 Uiso 1 1 calc R U . . .
H17H H 0.133154 0.780365 0.660997 0.078 Uiso 1 1 calc R U . . .
C172 C 0.1761(5) 0.7913(6) 0.7563(9) 0.082(7) Uani 1 1 d . U . . .
C173 C 0.1916(5) 0.8131(7) 0.7443(7) 0.104(8) Uani 1 1 d . . . . .
H17I H 0.211420 0.813701 0.765955 0.157 Uiso 1 1 calc R U . . .
H17J H 0.189108 0.799753 0.721946 0.157 Uiso 1 1 calc R U . . .
H17K H 0.184500 0.840161 0.737015 0.157 Uiso 1 1 calc R U . . .
C174 C 0.1397(5) 0.8129(7) 0.5883(7) 0.106(8) Uani 1 1 d . . . . .
H17L H 0.142058 0.792446 0.574153 0.159 Uiso 1 1 calc R U . . .
H17M H 0.156373 0.814112 0.615240 0.159 Uiso 1 1 calc R U . . .
H17N H 0.123537 0.806412 0.588180 0.159 Uiso 1 1 calc R U . . .
C175 C 0.1495(5) 0.7796(8) 0.5215(8) 0.134(10) Uani 1 1 d . U . . .
H17O H 0.130631 0.787258 0.512120 0.201 Uiso 1 1 calc R U . . .
H17P H 0.150733 0.778473 0.499452 0.201 Uiso 1 1 calc R U . . .
H17Q H 0.153922 0.753650 0.533943 0.201 Uiso 1 1 calc R U . . .
C176 C 0.2824(7) 0.8077(7) 0.6649(8) 0.070(6) Uani 1 1 d . . . . .
H17R H 0.285031 0.782614 0.657505 0.084 Uiso 1 1 calc R U . . .
C177 C 0.3317(5) 0.8048(8) 0.7207(7) 0.124(10) Uani 1 1 d . . . . .
H17S H 0.344347 0.821221 0.743679 0.186 Uiso 1 1 calc R U . . .
H17T H 0.330635 0.778337 0.729100 0.186 Uiso 1 1 calc R U . . .
H17U H 0.338807 0.802867 0.704965 0.186 Uiso 1 1 calc R U . . .
C178 C 0.3012(5) 0.8609(9) 0.7121(8) 0.168(15) Uani 1 1 d . . . . .
H17V H 0.319027 0.867967 0.736535 0.252 Uiso 1 1 calc R U . . .
H17W H 0.295856 0.881568 0.692691 0.252 Uiso 1 1 calc R U . . .
H17X H 0.286932 0.858528 0.716667 0.252 Uiso 1 1 calc R U . . .
C182 C 0.0621(5) 0.6169(7) 0.4044(7) 0.098(3) Uani 1 1 d . U . . .
H18C H 0.079020 0.629636 0.424061 0.118 Uiso 1 1 calc R U . . .
C185 C 0.0841(5) 0.7226(6) 0.7030(5) 0.057(5) Uani 1 1 d . . . . .
C186 C 0.0997(4) 0.9497(5) 0.6626(5) 0.049(5) Uani 1 1 d . U . . .
H18A H 0.102985 0.930685 0.647966 0.059 Uiso 1 1 calc R U . . .
H18B H 0.099364 0.976555 0.653195 0.059 Uiso 1 1 calc R U . . .
C187 C -0.1210(4) 0.6180(5) 0.3448(5) 0.069(6) Uani 1 1 d D . . . .
C188 C -0.0446(4) 0.5246(6) 0.2638(6) 0.084(7) Uani 1 1 d D . . . .
C189 C 0.0872(6) 0.4589(8) 0.3959(8) 0.127(10) Uani 1 1 d D . . . .
C190 C 0.1756(5) 0.6223(9) 0.4920(9) 0.127(10) Uani 1 1 d D . . . .
C191 C 0.0901(4) 0.7505(7) 0.3724(6) 0.076(6) Uani 1 1 d D . . . .
C192 C -0.0308(3) 0.8477(4) 0.2798(4) 0.050(5) Uani 1 1 d D . . . .
C193 C -0.0921(4) 0.8919(6) 0.3708(6) 0.086(7) Uani 1 1 d D . . . .
C194 C -0.1138(4) 0.7453(7) 0.4569(8) 0.117(10) Uani 1 1 d D . . . .
C195 C 0.0833(3) 0.9500(4) 0.3523(4) 0.055(5) Uani 1 1 d D . . . .
C196 C 0.2178(4) 0.9415(6) 0.4459(5) 0.084(6) Uani 1 1 d D U . . .
C197 C 0.3547(4) 0.9016(8) 0.6596(8) 0.130(10) Uani 1 1 d D . . . .
C198 C 0.3589(5) 0.6816(8) 0.6889(7) 0.101(8) Uani 1 1 d D . . . .
C199 C 0.2993(5) 0.7134(7) 0.7734(6) 0.115(9) Uani 1 1 d D . . . .
C200 C 0.2617(4) 0.8975(7) 0.7746(6) 0.101(8) Uani 1 1 d D . . . .
C201 C 0.2102(6) 1.0714(7) 0.6684(9) 0.152(11) Uani 1 1 d D U . . .
C202 C 0.0883(6) 1.0721(6) 0.4849(7) 0.128(10) Uani 1 1 d D U . . .
C203 C 0.0206(4) 0.9962(6) 0.6654(7) 0.098(8) Uani 1 1 d D . . . .
C204 C 0.1559(5) 0.9060(6) 0.8995(6) 0.108(8) Uani 1 1 d D U . . .
C205 C 0.1373(7) 0.6932(9) 0.9408(9) 0.185(16) Uani 1 1 d D . . . .
C206 C 0.0128(5) 0.6406(7) 0.6456(7) 0.112(9) Uani 1 1 d D . . . .
C207 C -0.0395(4) 0.8198(9) 0.6578(7) 0.123(10) Uani 1 1 d D . . . .
C209 C 0.0385(4) 0.6432(8) 0.5248(6) 0.070(6) Uani 1 1 d . . . . .
C210 C 0.0424(5) 0.6506(7) 0.5626(6) 0.103(8) Uani 1 1 d . . . . .
H21C H 0.044988 0.678923 0.568389 0.154 Uiso 1 1 calc R U . . .
H21D H 0.026022 0.641350 0.560672 0.154 Uiso 1 1 calc R U . . .
H21E H 0.058903 0.636229 0.583580 0.154 Uiso 1 1 calc R U . . .
C211 C 0.2163(8) 0.5546(9) 0.9133(9) 0.195(16) Uani 1 1 d D U . . .
C212 C 0.1335(7) 0.5329(5) 0.7154(8) 0.175(13) Uani 1 1 d D U . . .
C213 C 0.1710(7) 1.0224(9) 0.7862(9) 0.136(10) Uani 1 1 d . U . . .
C214 C -0.1316(8) 0.7770(16) 0.4258(16) 0.162(17) Uani 0.55(3) 1 d D . P A 1
H21F H -0.120348 0.800691 0.431511 0.243 Uiso 0.55(3) 1 calc R U P A 1
H21G H -0.138260 0.766768 0.400111 0.243 Uiso 0.55(3) 1 calc R U P A 1
H21H H -0.147559 0.783657 0.426047 0.243 Uiso 0.55(3) 1 calc R U P A 1
C215 C -0.1109(11) 0.763(2) 0.4927(13) 0.162(17) Uani 0.55(3) 1 d D . P A 1
H21I H -0.104843 0.790280 0.496196 0.243 Uiso 0.55(3) 1 calc R U P A 1
H21J H -0.128884 0.761421 0.488666 0.243 Uiso 0.55(3) 1 calc R U P A 1
H21K H -0.097109 0.747428 0.515862 0.243 Uiso 0.55(3) 1 calc R U P A 1
C15' C -0.1239(14) 0.777(3) 0.470(3) 0.162(17) Uani 0.45(3) 1 d . . P A 2
H15G H -0.117428 0.802415 0.468033 0.243 Uiso 0.45(3) 1 calc R U P A 2
H15H H -0.144323 0.776362 0.453744 0.243 Uiso 0.45(3) 1 calc R U P A 2
H15I H -0.116788 0.771756 0.497238 0.243 Uiso 0.45(3) 1 calc R U P A 2
C14' C -0.1318(9) 0.745(2) 0.4120(9) 0.162(17) Uani 0.45(3) 1 d D . P A 2
H14H H -0.125130 0.724265 0.403264 0.243 Uiso 0.45(3) 1 calc R U P A 2
H14I H -0.151221 0.739689 0.401703 0.243 Uiso 0.45(3) 1 calc R U P A 2
H14J H -0.130513 0.770684 0.402613 0.243 Uiso 0.45(3) 1 calc R U P A 2
C216 C -0.1231(6) 0.7038(8) 0.4592(10) 0.174(15) Uani 1 1 d D . . . .
H21L H -0.115911 0.684305 0.450136 0.261 Uiso 1 1 calc R U . . .
H21M H -0.115969 0.697949 0.486167 0.261 Uiso 1 1 calc R U . . .
H21N H -0.143505 0.702555 0.442673 0.261 Uiso 1 1 calc R U . . .
C217 C -0.1388(4) 0.6540(6) 0.3388(7) 0.120(9) Uani 1 1 d D . . . .
H21O H -0.131872 0.665590 0.364099 0.180 Uiso 1 1 calc R U . . .
H21P H -0.137702 0.673617 0.322759 0.180 Uiso 1 1 calc R U . . .
H21Q H -0.158150 0.645693 0.325652 0.180 Uiso 1 1 calc R U . . .
C218 C -0.1250(4) 0.5858(6) 0.3664(6) 0.101(8) Uani 1 1 d D . . . .
H21R H -0.113659 0.562699 0.370316 0.152 Uiso 1 1 calc R U . . .
H21S H -0.119307 0.595892 0.391733 0.152 Uiso 1 1 calc R U . . .
H21T H -0.144649 0.578085 0.351007 0.152 Uiso 1 1 calc R U . . .
C219 C -0.1319(4) 0.6000(6) 0.3050(5) 0.092(7) Uani 1 1 d D . . . .
H21U H -0.120613 0.577035 0.308668 0.138 Uiso 1 1 calc R U . . .
H21V H -0.151305 0.591853 0.291950 0.138 Uiso 1 1 calc R U . . .
H21W H -0.130857 0.619777 0.289057 0.138 Uiso 1 1 calc R U . . .
C220 C -0.0739(5) 0.5082(9) 0.2460(8) 0.158(11) Uani 1 1 d D U . . .
H22A H -0.085556 0.528992 0.245517 0.237 Uiso 1 1 calc R U . . .
H22B H -0.082108 0.499101 0.219419 0.237 Uiso 1 1 calc R U . . .
H22C H -0.072640 0.485996 0.261790 0.237 Uiso 1 1 calc R U . . .
C221 C -0.0284(6) 0.4901(8) 0.2631(8) 0.155(11) Uani 1 1 d D U . . .
H22D H -0.025226 0.470020 0.281978 0.232 Uiso 1 1 calc R U . . .
H22E H -0.039005 0.478426 0.237002 0.232 Uiso 1 1 calc R U . . .
H22F H -0.010423 0.499547 0.269962 0.232 Uiso 1 1 calc R U . . .
C222 C -0.0509(7) 0.5580(8) 0.2354(7) 0.164(12) Uani 1 1 d D U . . .
H22G H -0.061292 0.578945 0.237541 0.246 Uiso 1 1 calc R U . . .
H22H H -0.033359 0.568825 0.241690 0.246 Uiso 1 1 calc R U . . .
H22I H -0.061941 0.547704 0.208731 0.246 Uiso 1 1 calc R U . . .
C223 C 0.0767(10) 0.4161(9) 0.3883(16) 0.28(3) Uani 1 1 d D . . . .
H22J H 0.082962 0.402057 0.374500 0.426 Uiso 1 1 calc R U . . .
H22K H 0.084150 0.402885 0.413130 0.426 Uiso 1 1 calc R U . . .
H22L H 0.056361 0.415981 0.372354 0.426 Uiso 1 1 calc R U . . .
C224 C 0.1798(7) 0.5829(11) 0.4782(12) 0.28(3) Uani 1 1 d D . . . .
H22M H 0.163177 0.576908 0.452024 0.415 Uiso 1 1 calc R U . . .
H22N H 0.195963 0.584840 0.477643 0.415 Uiso 1 1 calc R U . . .
H22O H 0.182774 0.561835 0.496132 0.415 Uiso 1 1 calc R U . . .
C225 C 0.2031(6) 0.6262(13) 0.5325(10) 0.217(18) Uani 1 1 d D . . . .
H22P H 0.203122 0.650765 0.544690 0.326 Uiso 1 1 calc R U . . .
H22Q H 0.205374 0.603659 0.548580 0.326 Uiso 1 1 calc R U . . .
H22R H 0.218563 0.626665 0.530091 0.326 Uiso 1 1 calc R U . . .
C226 C 0.1700(8) 0.6461(13) 0.4572(10) 0.24(2) Uani 1 1 d D . . . .
H22S H 0.151412 0.639811 0.433954 0.359 Uiso 1 1 calc R U . . .
H22T H 0.171092 0.674450 0.462846 0.359 Uiso 1 1 calc R U . . .
H22U H 0.183942 0.639359 0.452773 0.359 Uiso 1 1 calc R U . . .
C227 C 0.1218(4) 0.7472(12) 0.3972(8) 0.22(2) Uani 1 1 d D . . . .
H22V H 0.127205 0.719458 0.403762 0.327 Uiso 1 1 calc R U . . .
H22W H 0.128462 0.757600 0.382571 0.327 Uiso 1 1 calc R U . . .
H22X H 0.129906 0.762545 0.421199 0.327 Uiso 1 1 calc R U . . .
C228 C 0.0841(6) 0.7945(9) 0.3641(8) 0.142(11) Uani 1 1 d . . . . .
H22Y H 0.092298 0.808825 0.388638 0.213 Uiso 1 1 calc R U . . .
H22Z H 0.092086 0.804214 0.350961 0.213 Uiso 1 1 calc R U . . .
H23A H 0.063897 0.798795 0.347332 0.213 Uiso 1 1 calc R U . . .
C229 C 0.0766(7) 0.7306(9) 0.3330(9) 0.156(12) Uani 1 1 d . . . . .
H23B H 0.079898 0.702018 0.336732 0.234 Uiso 1 1 calc R U . . .
H23C H 0.056568 0.735720 0.316663 0.234 Uiso 1 1 calc R U . . .
H23D H 0.084757 0.741139 0.320293 0.234 Uiso 1 1 calc R U . . .
C230 C -0.0094(3) 0.8773(5) 0.2846(5) 0.057(5) Uani 1 1 d D . . . .
H23E H -0.004847 0.896648 0.304624 0.085 Uiso 1 1 calc R U . . .
H23F H 0.007571 0.863097 0.292316 0.085 Uiso 1 1 calc R U . . .
H23G H -0.017110 0.890873 0.259808 0.085 Uiso 1 1 calc R U . . .
C231 C -0.0573(3) 0.8699(5) 0.2676(5) 0.061(5) Uani 1 1 d D . . . .
H23H H -0.052768 0.889423 0.287607 0.091 Uiso 1 1 calc R U . . .
H23I H -0.065169 0.883335 0.242775 0.091 Uiso 1 1 calc R U . . .
H23J H -0.070936 0.851060 0.264784 0.091 Uiso 1 1 calc R U . . .
C232 C -0.0380(4) 0.8171(5) 0.2484(5) 0.065(6) Uani 1 1 d D . . . .
H23K H -0.021156 0.802888 0.256044 0.098 Uiso 1 1 calc R U . . .
H23L H -0.051663 0.798331 0.245564 0.098 Uiso 1 1 calc R U . . .
H23M H -0.045895 0.830606 0.223554 0.098 Uiso 1 1 calc R U . . .
C233 C -0.0889(5) 0.9369(6) 0.3722(9) 0.152(12) Uani 1 1 d D . . . .
H23N H -0.074638 0.943863 0.368410 0.228 Uiso 1 1 calc R U . . .
H23O H -0.106634 0.948931 0.351635 0.228 Uiso 1 1 calc R U . . .
H23P H -0.083274 0.946655 0.397630 0.228 Uiso 1 1 calc R U . . .
C234 C -0.1145(4) 0.8828(7) 0.3769(7) 0.112(9) Uani 1 1 d D . . . .
H23Q H -0.117163 0.854204 0.376148 0.168 Uiso 1 1 calc R U . . .
H23R H -0.108633 0.893138 0.402241 0.168 Uiso 1 1 calc R U . . .
H23S H -0.131992 0.895415 0.356246 0.168 Uiso 1 1 calc R U . . .
C235 C -0.1016(5) 0.8766(10) 0.3305(6) 0.174(16) Uani 1 1 d D . . . .
H23T H -0.087206 0.882459 0.326622 0.261 Uiso 1 1 calc R U . . .
H23U H -0.104582 0.848025 0.329053 0.261 Uiso 1 1 calc R U . . .
H23V H -0.118960 0.889738 0.310168 0.261 Uiso 1 1 calc R U . . .
C236 C 0.0558(4) 0.9305(6) 0.3206(5) 0.090(7) Uani 1 1 d D . . . .
H23W H 0.042829 0.932148 0.327710 0.134 Uiso 1 1 calc R U . . .
H23X H 0.047809 0.944060 0.295778 0.134 Uiso 1 1 calc R U . . .
H23Y H 0.059046 0.902652 0.318025 0.134 Uiso 1 1 calc R U . . .
C237 C 0.1032(4) 0.9469(7) 0.3404(6) 0.095(8) Uani 1 1 d D . . . .
H23Z H 0.120965 0.959302 0.360332 0.143 Uiso 1 1 calc R U . . .
H24B H 0.106198 0.919027 0.337688 0.143 Uiso 1 1 calc R U . . .
H24C H 0.094961 0.960436 0.315441 0.143 Uiso 1 1 calc R U . . .
C238 C 0.0788(4) 0.9944(5) 0.3540(6) 0.083(6) Uani 1 1 d D . . . .
H24D H 0.096481 1.006821 0.374307 0.124 Uiso 1 1 calc R U . . .
H24E H 0.071639 1.006548 0.328797 0.124 Uiso 1 1 calc R U . . .
H24F H 0.065327 0.998163 0.359995 0.124 Uiso 1 1 calc R U . . .
C239 C 0.2170(5) 0.9095(7) 0.4197(7) 0.139(11) Uani 1 1 d D . . . .
H24G H 0.199446 0.895014 0.406582 0.208 Uiso 1 1 calc R U . . .
H24H H 0.218576 0.921918 0.400160 0.208 Uiso 1 1 calc R U . . .
H24I H 0.232583 0.891211 0.435548 0.208 Uiso 1 1 calc R U . . .
C240 C 0.2454(5) 0.9641(8) 0.4662(7) 0.139(11) Uani 1 1 d D . . . .
H24J H 0.246030 0.984563 0.483030 0.209 Uiso 1 1 calc R U . . .
H24K H 0.260894 0.945653 0.482024 0.209 Uiso 1 1 calc R U . . .
H24L H 0.246887 0.976360 0.446636 0.209 Uiso 1 1 calc R U . . .
C241 C 0.1953(5) 0.9727(7) 0.4207(8) 0.139(10) Uani 1 1 d D U . . .
H24M H 0.176874 0.960244 0.406752 0.208 Uiso 1 1 calc R U . . .
H24N H 0.196460 0.993781 0.437485 0.208 Uiso 1 1 calc R U . . .
H24O H 0.198037 0.983849 0.401983 0.208 Uiso 1 1 calc R U . . .
C242 C 0.3576(6) 0.9347(10) 0.6376(9) 0.193(17) Uani 1 1 d D . . . .
H24P H 0.354489 0.923966 0.613883 0.290 Uiso 1 1 calc R U . . .
H24Q H 0.343894 0.955409 0.630625 0.290 Uiso 1 1 calc R U . . .
H24R H 0.376385 0.945972 0.654205 0.290 Uiso 1 1 calc R U . . .
C243 C 0.3794(5) 0.8736(8) 0.6740(9) 0.166(12) Uani 1 1 d D U . . .
H24S H 0.378082 0.862745 0.651580 0.249 Uiso 1 1 calc R U . . .
H24T H 0.396843 0.888262 0.690576 0.249 Uiso 1 1 calc R U . . .
H24U H 0.378932 0.851969 0.688958 0.249 Uiso 1 1 calc R U . . .
C244 C 0.3593(6) 0.9160(11) 0.6970(9) 0.193(18) Uani 1 1 d . . . . .
H24V H 0.357250 0.893885 0.709943 0.289 Uiso 1 1 calc R U . . .
H24W H 0.378101 0.927064 0.714314 0.289 Uiso 1 1 calc R U . . .
H24X H 0.345610 0.936501 0.690734 0.289 Uiso 1 1 calc R U . . .
C245 C 0.3679(6) 0.6588(9) 0.6676(9) 0.157(13) Uani 1 1 d . . . . .
H24Y H 0.366535 0.675774 0.647802 0.236 Uiso 1 1 calc R U . . .
H24Z H 0.387223 0.650114 0.686106 0.236 Uiso 1 1 calc R U . . .
H25A H 0.355886 0.635685 0.654973 0.236 Uiso 1 1 calc R U . . .
C246 C 0.3601(6) 0.6581(9) 0.7208(8) 0.160(11) Uani 1 1 d D U . . .
H25B H 0.353983 0.674913 0.733160 0.240 Uiso 1 1 calc R U . . .
H25C H 0.347949 0.634991 0.709195 0.240 Uiso 1 1 calc R U . . .
H25D H 0.379287 0.649420 0.740328 0.240 Uiso 1 1 calc R U . . .
C247 C 0.3801(6) 0.7148(8) 0.7123(9) 0.145(11) Uani 1 1 d . . . . .
H25E H 0.374524 0.729951 0.726310 0.217 Uiso 1 1 calc R U . . .
H25F H 0.398525 0.703251 0.730932 0.217 Uiso 1 1 calc R U . . .
H25G H 0.380751 0.732349 0.694465 0.217 Uiso 1 1 calc R U . . .
C248 C 0.3191(6) 0.6804(9) 0.7791(8) 0.180(15) Uani 1 1 d D . . . .
H25H H 0.327811 0.687938 0.766309 0.270 Uiso 1 1 calc R U . . .
H25I H 0.333479 0.676492 0.806966 0.270 Uiso 1 1 calc R U . . .
H25J H 0.308597 0.655866 0.767629 0.270 Uiso 1 1 calc R U . . .
C249 C 0.2855(5) 0.7019(8) 0.7934(6) 0.134(11) Uani 1 1 d D . . . .
H25K H 0.272837 0.723079 0.789642 0.201 Uiso 1 1 calc R U . . .
H25L H 0.274920 0.677398 0.781920 0.201 Uiso 1 1 calc R U . . .
H25M H 0.299802 0.698023 0.821257 0.201 Uiso 1 1 calc R U . . .
C250 C 0.3157(6) 0.7517(9) 0.7929(8) 0.192(16) Uani 1 1 d D . . . .
H25N H 0.324835 0.759969 0.780885 0.288 Uiso 1 1 calc R U . . .
H25O H 0.302925 0.772471 0.789416 0.288 Uiso 1 1 calc R U . . .
H25P H 0.329745 0.746999 0.820732 0.288 Uiso 1 1 calc R U . . .
C251 C 0.2748(6) 0.8628(8) 0.8032(7) 0.170(14) Uani 1 1 d D . . . .
H25Q H 0.260111 0.844745 0.798179 0.255 Uiso 1 1 calc R U . . .
H25R H 0.287655 0.848749 0.799929 0.255 Uiso 1 1 calc R U . . .
H25S H 0.284915 0.872866 0.829939 0.255 Uiso 1 1 calc R U . . .
C252 C 0.2429(5) 0.9237(10) 0.7795(7) 0.173(15) Uani 1 1 d D . . . .
H25T H 0.225846 0.909189 0.770768 0.259 Uiso 1 1 calc R U . . .
H25U H 0.252666 0.930890 0.806925 0.259 Uiso 1 1 calc R U . . .
H25V H 0.238036 0.947671 0.763798 0.259 Uiso 1 1 calc R U . . .
C253 C 0.2880(5) 0.9204(8) 0.7883(6) 0.135(11) Uani 1 1 d D . . . .
H25W H 0.283090 0.944245 0.772345 0.203 Uiso 1 1 calc R U . . .
H25X H 0.297578 0.927925 0.815595 0.203 Uiso 1 1 calc R U . . .
H25Y H 0.300318 0.903808 0.785586 0.203 Uiso 1 1 calc R U . . .
C254 C 0.2421(6) 1.0731(10) 0.6933(10) 0.193(14) Uani 1 1 d D U . . .
H25Z H 0.248296 1.099690 0.704373 0.289 Uiso 1 1 calc R U . . .
H26C H 0.249839 1.053756 0.714407 0.289 Uiso 1 1 calc R U . . .
H26D H 0.248377 1.067147 0.677103 0.289 Uiso 1 1 calc R U . . .
C255 C 0.2076(11) 1.0778(11) 0.7021(12) 0.29(3) Uani 1 1 d D . . . .
H26E H 0.187872 1.077676 0.691815 0.436 Uiso 1 1 calc R U . . .
H26F H 0.217299 1.056582 0.721233 0.436 Uiso 1 1 calc R U . . .
H26G H 0.215833 1.103315 0.714545 0.436 Uiso 1 1 calc R U . . .
C256 C 0.1903(7) 1.1038(9) 0.6385(9) 0.172(12) Uani 1 1 d . U . . .
H26H H 0.170941 1.095988 0.626168 0.258 Uiso 1 1 calc R U . . .
H26I H 0.193930 1.129035 0.652060 0.258 Uiso 1 1 calc R U . . .
H26J H 0.193545 1.106809 0.618487 0.258 Uiso 1 1 calc R U . . .
C257 C 0.1076(7) 1.1042(9) 0.5136(8) 0.200(15) Uani 1 1 d D U . . .
H26K H 0.102823 1.129677 0.500089 0.299 Uiso 1 1 calc R U . . .
H26L H 0.105484 1.105985 0.534750 0.299 Uiso 1 1 calc R U . . .
H26M H 0.126951 1.097596 0.524402 0.299 Uiso 1 1 calc R U . . .
C258 C 0.0615(8) 1.0860(10) 0.4791(12) 0.27(2) Uani 1 1 d D . . . .
H25$ H 0.064059 1.112992 0.489031 0.398 Uiso 1 1 calc R U . . .
H32 H 0.057310 1.068387 0.493373 0.398 Uiso 1 1 calc R U . . .
H30A H 0.046107 1.085420 0.451373 0.398 Uiso 1 1 calc R U . . .
C259 C 0.0812(7) 1.0756(8) 0.4439(7) 0.159(11) Uani 1 1 d D U . . .
H30$ H 0.078578 1.103509 0.436311 0.238 Uiso 1 1 calc R U . . .
H35 H 0.063973 1.061046 0.425411 0.238 Uiso 1 1 calc R U . . .
H30B H 0.096351 1.064550 0.443792 0.238 Uiso 1 1 calc R U . . .
C260 C 0.1988(7) 1.0185(8) 0.8207(10) 0.22(2) Uani 1 1 d . . . . .
H26R H 0.199669 0.996229 0.836186 0.327 Uiso 1 1 calc R U . . .
H26S H 0.211449 1.013673 0.813492 0.327 Uiso 1 1 calc R U . . .
H26T H 0.204205 1.042819 0.836049 0.327 Uiso 1 1 calc R U . . .
C261 C 0.1543(10) 1.0325(13) 0.8040(18) 0.34(4) Uani 1 1 d . . . . .
H26U H 0.156868 1.011074 0.821353 0.505 Uiso 1 1 calc R U . . .
H26V H 0.161390 1.057241 0.818747 0.505 Uiso 1 1 calc R U . . .
H26W H 0.134510 1.035370 0.782857 0.505 Uiso 1 1 calc R U . . .
C262 C 0.1670(6) 1.0538(7) 0.7613(8) 0.147(10) Uani 1 1 d . U . . .
H26X H 0.147497 1.054378 0.738528 0.220 Uiso 1 1 calc R U . . .
H26Y H 0.171734 1.078921 0.775326 0.220 Uiso 1 1 calc R U . . .
H26Z H 0.178978 1.049776 0.752768 0.220 Uiso 1 1 calc R U . . .
C263 C 0.1876(5) 0.9095(9) 0.9282(8) 0.168(12) Uani 1 1 d D U . . .
H27A H 0.195582 0.883492 0.939299 0.252 Uiso 1 1 calc R U . . .
H27B H 0.195227 0.919555 0.914638 0.252 Uiso 1 1 calc R U . . .
H27C H 0.192309 0.927815 0.949194 0.252 Uiso 1 1 calc R U . . .
C264 C 0.1410(8) 0.8943(12) 0.9179(11) 0.234(18) Uani 1 1 d D U . . .
H27D H 0.146339 0.867348 0.928133 0.351 Uiso 1 1 calc R U . . .
H27E H 0.146431 0.912572 0.939209 0.351 Uiso 1 1 calc R U . . .
H27F H 0.120876 0.895619 0.898183 0.351 Uiso 1 1 calc R U . . .
C265 C 0.1463(6) 0.9483(6) 0.8846(7) 0.139(11) Uani 1 1 d D . . . .
H27G H 0.126028 0.948727 0.865778 0.209 Uiso 1 1 calc R U . . .
H27H H 0.151925 0.965687 0.906509 0.209 Uiso 1 1 calc R U . . .
H27I H 0.154843 0.957428 0.871953 0.209 Uiso 1 1 calc R U . . .
C266 C 0.1449(8) 0.6492(10) 0.9496(12) 0.233(18) Uani 1 1 d D U . . .
H27J H 0.164887 0.645915 0.962777 0.349 Uiso 1 1 calc R U . . .
H27K H 0.139839 0.639464 0.966445 0.349 Uiso 1 1 calc R U . . .
H27L H 0.134658 0.634232 0.925193 0.349 Uiso 1 1 calc R U . . .
C267 C 0.1059(7) 0.6973(11) 0.9202(11) 0.190(15) Uani 1 1 d D U . . .
H27M H 0.095891 0.686637 0.893757 0.284 Uiso 1 1 calc R U . . .
H27N H 0.100502 0.682595 0.934731 0.284 Uiso 1 1 calc R U . . .
H27O H 0.101110 0.725248 0.918983 0.284 Uiso 1 1 calc R U . . .
C268 C 0.2428(9) 0.5549(11) 0.9554(10) 0.30(3) Uani 1 1 d D . . . .
H27P H 0.258898 0.561210 0.955337 0.454 Uiso 1 1 calc R U . . .
H27Q H 0.241012 0.574955 0.970453 0.454 Uiso 1 1 calc R U . . .
H27R H 0.245441 0.528904 0.967177 0.454 Uiso 1 1 calc R U . . .
C269 C 0.2164(11) 0.5179(9) 0.8922(11) 0.29(3) Uani 1 1 d D . . . .
H27S H 0.229966 0.521541 0.886359 0.441 Uiso 1 1 calc R U . . .
H27T H 0.221416 0.494675 0.908785 0.441 Uiso 1 1 calc R U . . .
H27U H 0.197837 0.514199 0.867823 0.441 Uiso 1 1 calc R U . . .
C270 C 0.0159(7) 0.6137(11) 0.6770(9) 0.23(2) Uani 1 1 d D . . . .
H27V H 0.033409 0.598890 0.689742 0.350 Uiso 1 1 calc R U . B 1
H27W H 0.016131 0.629769 0.696303 0.350 Uiso 1 1 calc R U . B 1
H27$ H 0.000303 0.595137 0.664924 0.350 Uiso 1 1 calc R U . B 1
C271 C -0.0147(6) 0.6635(10) 0.6259(14) 0.31(3) Uani 1 1 d D . . . .
H27X H -0.016921 0.680877 0.605735 0.468 Uiso 1 1 calc R U . . .
H27Y H -0.030214 0.644841 0.613997 0.468 Uiso 1 1 calc R U . . .
H27Z H -0.014387 0.679473 0.645376 0.468 Uiso 1 1 calc R U . . .
C272 C -0.0656(5) 0.8085(10) 0.6177(8) 0.163(13) Uani 1 1 d D . . . .
H40A H -0.066182 0.823553 0.597547 0.244 Uiso 1 1 calc R U . . .
H28B H -0.065297 0.780203 0.613289 0.244 Uiso 1 1 calc R U . . .
H28C H -0.082182 0.814710 0.616667 0.244 Uiso 1 1 calc R U . . .
C273 C -0.0463(7) 0.8630(10) 0.6605(11) 0.23(2) Uani 1 1 d D . . . .
H28D H -0.047978 0.878478 0.639687 0.346 Uiso 1 1 calc R U . . .
H28E H -0.063835 0.864090 0.657726 0.346 Uiso 1 1 calc R U . . .
H28F H -0.031316 0.874003 0.685818 0.346 Uiso 1 1 calc R U . . .
C274 C 0.0050(6) 0.9772(8) 0.6803(9) 0.163(12) Uani 1 1 d D U . . .
H28G H 0.018051 0.961864 0.703890 0.245 Uiso 1 1 calc R U . . .
H28H H -0.003434 0.997973 0.686391 0.245 Uiso 1 1 calc R U . . .
H28I H -0.009637 0.959726 0.660275 0.245 Uiso 1 1 calc R U . . .
C275 C 0.0003(6) 1.0202(9) 0.6285(8) 0.179(14) Uani 1 1 d D . . . .
H28J H -0.013597 1.002533 0.607850 0.268 Uiso 1 1 calc R U . . .
H28K H -0.009001 1.039943 0.634080 0.268 Uiso 1 1 calc R U . . .
H28L H 0.010579 1.033597 0.620141 0.268 Uiso 1 1 calc R U . . .
C276 C 0.0417(5) 1.0254(8) 0.6965(9) 0.192(18) Uani 1 1 d D . . . .
H28M H 0.055128 1.011127 0.720655 0.287 Uiso 1 1 calc R U . . .
H28N H 0.051560 1.038748 0.687403 0.287 Uiso 1 1 calc R U . . .
H28O H 0.031979 1.045095 0.701343 0.287 Uiso 1 1 calc R U . . .
C277 C 0.1591(8) 0.7070(14) 0.9828(10) 0.26(2) Uani 1 1 d D U . . .
H28P H 0.177742 0.701621 0.990003 0.387 Uiso 1 1 calc R U . . .
H28Q H 0.156963 0.735479 0.984668 0.387 Uiso 1 1 calc R U . . .
H28R H 0.156355 0.692825 1.000416 0.387 Uiso 1 1 calc R U . . .
C278 C 0.1949(10) 0.5447(10) 0.9200(15) 0.27(2) Uani 1 1 d . . . . .
H28S H 0.193279 0.566648 0.933548 0.402 Uiso 1 1 calc R U . . .
H28T H 0.176972 0.540263 0.894896 0.402 Uiso 1 1 calc R U . . .
H28U H 0.200551 0.520739 0.935858 0.402 Uiso 1 1 calc R U . . .
C279 C 0.1408(11) 0.5083(8) 0.7506(9) 0.28(3) Uani 1 1 d D . . . .
H28V H 0.143344 0.525790 0.770799 0.426 Uiso 1 1 calc R U . . .
H28W H 0.125758 0.489569 0.742542 0.426 Uiso 1 1 calc R U . . .
H28X H 0.158108 0.493651 0.760934 0.426 Uiso 1 1 calc R U . . .
C280 C 0.1277(15) 0.5192(16) 0.6768(12) 0.10(3) Uani 0.42(6) 1 d D U P C 1
H45$ H 0.115225 0.538146 0.656236 0.150 Uiso 0.42(6) 1 calc R U P C 1
H50 H 0.118870 0.493127 0.669992 0.150 Uiso 0.42(6) 1 calc R U P C 1
H50A H 0.145205 0.517691 0.679506 0.150 Uiso 0.42(6) 1 calc R U P C 1
C80' C 0.1530(12) 0.5182(15) 0.705(2) 0.15(3) Uani 0.58(6) 1 d D U P C 2
H80A H 0.172372 0.520632 0.728120 0.232 Uiso 0.58(6) 1 calc R U P C 2
H80B H 0.150199 0.534143 0.683923 0.232 Uiso 0.58(6) 1 calc R U P C 2
H80C H 0.148900 0.490452 0.697187 0.232 Uiso 0.58(6) 1 calc R U P C 2
C281 C 0.1018(7) 0.5281(11) 0.6876(11) 0.234(18) Uani 1 1 d D U . . .
H70$ H 0.094562 0.542889 0.663591 0.351 Uiso 1 1 calc R U . . .
H60 H 0.097113 0.500079 0.681427 0.351 Uiso 1 1 calc R U . . .
H28A H 0.093360 0.538326 0.700085 0.351 Uiso 1 1 calc R U . . .
C282 C 0.0224(14) 0.6019(13) 0.638(2) 0.20(3) Uani 0.56(5) 1 d D U P D 1
H28$ H 0.023567 0.605765 0.615902 0.306 Uiso 0.56(5) 1 calc R U P D 1
H99 H 0.040663 0.594482 0.661021 0.306 Uiso 0.56(5) 1 calc R U P D 1
H31A H 0.008936 0.580937 0.631326 0.306 Uiso 0.56(5) 1 calc R U P D 1
C82' C 0.0025(11) 0.6284(16) 0.6042(9) 0.09(2) Uani 0.44(5) 1 d D U P D 2
H82A H 0.002531 0.651476 0.590305 0.142 Uiso 0.44(5) 1 calc R U P D 2
H82B H 0.014836 0.608055 0.605751 0.142 Uiso 0.44(5) 1 calc R U P D 2
H82C H -0.016438 0.617884 0.590256 0.142 Uiso 0.44(5) 1 calc R U P D 2
C283 C -0.0371(6) 0.7974(9) 0.6911(8) 0.159(11) Uani 1 1 d D U . . .
H29E H -0.020106 0.805628 0.715966 0.238 Uiso 1 1 calc R U . . .
H29F H -0.053293 0.803478 0.690906 0.238 Uiso 1 1 calc R U . . .
H29G H -0.036408 0.768972 0.687528 0.238 Uiso 1 1 calc R U . . .
C284 C 0.0702(8) 0.4717(13) 0.3530(9) 0.246(19) Uani 1 1 d D U . . .
H29H H 0.076449 0.456994 0.339616 0.369 Uiso 1 1 calc R U . . .
H29I H 0.050448 0.466287 0.340551 0.369 Uiso 1 1 calc R U . . .
H29J H 0.072776 0.500097 0.351518 0.369 Uiso 1 1 calc R U . . .
C285 C 0.1188(6) 0.4521(16) 0.4203(11) 0.30(3) Uani 1 1 d D . . . .
H29K H 0.123350 0.437507 0.404887 0.443 Uiso 1 1 calc R U . . .
H29L H 0.128368 0.477633 0.428122 0.443 Uiso 1 1 calc R U . . .
H29M H 0.124664 0.436807 0.443617 0.443 Uiso 1 1 calc R U . . .
C10 C -0.0764(4) 0.6440(5) 0.4053(5) 0.056(5) Uani 1 1 d . . . . .
H10H H -0.086381 0.645668 0.416451 0.067 Uiso 1 1 calc R U . . .
C286 C 0.1107(5) 0.5455(6) 0.5098(7) 0.110(9) Uani 1 1 d . . . . .
H29N H 0.103024 0.550414 0.524788 0.132 Uiso 1 1 calc R U . . .
H29O H 0.127102 0.528144 0.525669 0.132 Uiso 1 1 calc R U . . .
C288 C 0.0835(4) 0.6050(7) 0.3714(6) 0.098(3) Uani 1 1 d . . . . .
H29P H 0.078170 0.592225 0.347169 0.147 Uiso 1 1 calc R U . . .
H29Q H 0.087875 0.632810 0.371062 0.147 Uiso 1 1 calc R U . . .
H29R H 0.099861 0.591662 0.393588 0.147 Uiso 1 1 calc R U . . .
C287 C 0.0378(4) 0.5748(6) 0.3474(6) 0.098(3) Uani 1 1 d . . . . .
H29S H 0.040022 0.567015 0.327125 0.147 Uiso 1 1 calc R U . . .
H29T H 0.038634 0.551236 0.361471 0.147 Uiso 1 1 calc R U . . .
H29U H 0.019788 0.587864 0.335360 0.147 Uiso 1 1 calc R U . . .
C291 C 0.0875(5) 0.8896(8) 0.7439(8) 0.110(3) Uani 1 1 d . U . . .
C290 C 0.0828(5) 0.9428(7) 0.7798(7) 0.110(3) Uani 1 1 d . U . . .
H29A H 0.071218 0.947216 0.788982 0.165 Uiso 1 1 calc R U . . .
H29B H 0.102426 0.942784 0.802053 0.165 Uiso 1 1 calc R U . . .
H29C H 0.079421 0.963888 0.761714 0.165 Uiso 1 1 calc R U . . .
C289 C 0.0545(5) 0.8764(7) 0.7554(7) 0.110(3) Uani 1 1 d . U . . .
C296 C -0.1063(4) 0.7585(7) 0.3459(6) 0.096(3) Uani 1 1 d . . . . .
H29V H -0.119867 0.758029 0.317531 0.145 Uiso 1 1 calc R U . . .
H29W H -0.110270 0.736946 0.357357 0.145 Uiso 1 1 calc R U . . .
H29X H -0.107420 0.783830 0.356030 0.145 Uiso 1 1 calc R U . . .
C297 C -0.0762(4) 0.7375(7) 0.3246(6) 0.096(3) Uani 1 1 d . . . . .
H29Y H -0.094304 0.740029 0.299280 0.145 Uiso 1 1 calc R U . . .
H29Z H -0.062223 0.752499 0.324366 0.145 Uiso 1 1 calc R U . . .
H2:A H -0.070826 0.709584 0.329754 0.145 Uiso 1 1 calc R U . . .
C295 C -0.0560(5) 0.7530(7) 0.3931(7) 0.096(3) Uani 1 1 d . . . . .
C294 C 0.1010(6) 0.5940(8) 0.7801(8) 0.145(4) Uani 1 1 d . . . . .
H2:B H 0.101128 0.577899 0.799384 0.218 Uiso 1 1 calc R U . . .
H2:C H 0.081724 0.598948 0.757812 0.218 Uiso 1 1 calc R U . . .
H2:D H 0.110728 0.579817 0.771232 0.218 Uiso 1 1 calc R U . . .
C298 C 0.1584(6) 0.9791(7) 0.5232(8) 0.135(4) Uani 1 1 d D U . . .
C293 C 0.1293(7) 0.6356(8) 0.8398(9) 0.145(4) Uani 1 1 d . . . . .
C292 C 0.1195(7) 0.6630(10) 0.7810(10) 0.145(4) Uani 1 1 d . . . . .
C299 C 0.1778(6) 0.9961(9) 0.4919(9) 0.135(4) Uani 1 1 d . U . . .
C302 C 0.1711(7) 0.6999(8) 0.6366(10) 0.147(11) Uani 1 1 d . . . . .
H30C H 0.176740 0.714808 0.660262 0.177 Uiso 1 1 calc R U . . .
H30D H 0.180948 0.711755 0.626559 0.177 Uiso 1 1 calc R U . . .
C301 C 0.2136(5) 0.6555(9) 0.6808(8) 0.141(11) Uani 1 1 d . . . . .
H30E H 0.222427 0.674461 0.673343 0.169 Uiso 1 1 calc R U . . .
H30F H 0.217337 0.665151 0.705429 0.169 Uiso 1 1 calc R U . . .
C303 C 0.1415(6) 0.7057(9) 0.6077(9) 0.164(14) Uani 1 1 d . . . . .
H30G H 0.137604 0.734024 0.602416 0.246 Uiso 1 1 calc R U . . .
H30H H 0.135587 0.692010 0.583621 0.246 Uiso 1 1 calc R U . . .
H30I H 0.131365 0.695073 0.617446 0.246 Uiso 1 1 calc R U . . .
C305 C 0.2279(10) 0.6183(12) 0.6890(17) 0.40(5) Uani 1 1 d . . . . .
H30J H 0.247728 0.621926 0.709498 0.606 Uiso 1 1 calc R U . . .
H30K H 0.220187 0.599093 0.697627 0.606 Uiso 1 1 calc R U . . .
H30L H 0.225306 0.608456 0.665359 0.606 Uiso 1 1 calc R U . . .
C307 C 0.2009(5) 1.0037(8) 0.5508(7) 0.135(4) Uani 1 1 d D . . . .
C309 C 0.1863(7) 0.6513(14) 0.5997(9) 0.214(19) Uani 1 1 d D . . . .
C308 C 0.1738(10) 0.6324(14) 0.6186(14) 0.237(19) Uani 1 1 d D U . . .
C501 C 0.1910(11) 0.7463(17) 0.5065(16) 0.28(2) Uiso 1 1 d . . . . .


_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
Eu1 O2 2.291(10) . ?
Eu1 O6 2.317(11) . ?
Eu1 O1 2.331(10) . ?
Eu1 O7 2.337(11) . ?
Eu1 O33 2.343(10) . ?
Eu1 O35 2.349(14) . ?
Eu1 O31 2.462(13) . ?
Eu1 Co2 3.323(2) . ?
Eu1 Co1 3.340(2) . ?
Eu1 Eu5 3.6182(14) . ?
Eu2 O18 2.292(10) . ?
Eu2 O20 2.320(11) . ?
Eu2 O17 2.321(11) . ?
Eu2 O42 2.340(12) . ?
Eu2 O28 2.340(10) . ?
Eu2 O44 2.354(15) . ?
Eu2 O29 2.451(12) . ?
Eu2 Co3 3.314(3) . ?
Eu2 Co5 3.319(3) . ?
Eu2 Eu3 3.6078(14) . ?
Eu3 O41 2.221(11) . ?
Eu3 O43 2.324(19) . ?
Eu3 O19 2.368(12) . ?
Eu3 O42 2.368(12) . ?
Eu3 O18 2.371(10) . ?
Eu3 O30 2.409(14) . ?
Eu3 O29 2.560(11) . ?
Eu3 O40 2.698(15) . ?
Eu3 C172 2.84(3) . ?
Eu3 C292 3.23(4) . ?
Eu4 O10 2.286(10) . ?
Eu4 O14 2.318(10) . ?
Eu4 O9 2.319(11) . ?
Eu4 O39 2.322(9) . ?
Eu4 O15 2.360(10) . ?
Eu4 O36 2.364(18) . ?
Eu4 O38 2.424(10) . ?
Eu4 Co6 3.306(3) . ?
Eu4 Co4 3.372(3) . ?
Eu4 Eu6 3.5623(13) . ?
Eu5 O3 2.287(13) . ?
Eu5 O5 2.344(14) . ?
Eu5 O34 2.348(15) . ?
Eu5 O6 2.365(11) . ?
Eu5 O2 2.414(11) . ?
Eu5 O32 2.425(12) . ?
Eu5 O31 2.554(11) . ?
Eu5 O4 2.811(14) . ?
Eu5 C209 2.85(2) . ?
Eu6 O13 2.232(11) . ?
Eu6 O37 2.340(14) . ?
Eu6 O38 2.386(10) . ?
Eu6 O10 2.389(10) . ?
Eu6 O14 2.410(11) . ?
Eu6 O45 2.413(12) . ?
Eu6 O11 2.449(12) . ?
Eu6 O12 2.764(12) . ?
Co1 O22 1.955(10) . ?
Co1 O8 2.012(10) . ?
Co1 O33 2.061(10) . ?
Co1 O1 2.076(10) . ?
Co1 O26 2.122(11) . ?
Co1 Co2 2.973(3) . ?
Co2 O23 1.946(10) . ?
Co2 O8 2.031(10) . ?
Co2 O7 2.043(10) . ?
Co2 O33 2.078(10) . ?
Co2 O27 2.084(11) . ?
Co3 O24 1.969(10) . ?
Co3 O21 2.050(11) . ?
Co3 O28 2.071(10) . ?
Co3 O17 2.078(10) . ?
Co3 O25 2.095(11) . ?
Co4 O24 1.953(10) . ?
Co4 O16 2.016(10) . ?
Co4 O15 2.037(11) . ?
Co4 O39 2.047(10) . ?
Co4 O25 2.134(11) . ?
Co4 Co6 2.985(3) . ?
Co5 O22 1.961(10) . ?
Co5 O21 2.029(11) . ?
Co5 O20 2.047(11) . ?
Co5 O28 2.072(10) . ?
Co5 O26 2.092(11) . ?
Co6 O23 1.945(10) . ?
Co6 O9 2.048(10) . ?
Co6 O16 2.056(11) . ?
Co6 O39 2.067(10) . ?
Co6 O27 2.082(11) . ?
N1 C176 1.32(2) . ?
N1 C177 1.46(2) . ?
N1 C178 1.49(3) . ?
N2 C182 1.30(3) . ?
N2 C288 1.47(2) . ?
N2 C287 1.48(2) . ?
N3 C291 1.32(3) . ?
N3 C289 1.49(3) . ?
N3 C290 1.49(3) . ?
N4 C292 1.40(4) . ?
N4 C294 1.45(3) . ?
N4 C293 1.48(3) . ?
N5 C295 1.34(3) . ?
N5 C296 1.46(2) . ?
N5 C297 1.51(3) . ?
N6 C298 1.16(3) . ?
N6 C299 1.38(3) . ?
N6 C307 1.437(10) . ?
N7 C308 1.37(5) . ?
N7 C302 1.52(3) . ?
N7 C301 1.59(3) . ?
O1 C1 1.350(19) . ?
O2 C8 1.380(19) . ?
O3 C15 1.33(2) . ?
O4 C22 1.36(3) . ?
O5 C28 1.373(16) . ?
O6 C35 1.365(19) . ?
O7 C42 1.389(17) . ?
O8 C49 1.360(18) . ?
O9 C56 1.378(17) . ?
O10 C63 1.364(19) . ?
O11 C70 1.35(2) . ?
O12 C77 1.34(2) . ?
O13 C84 1.37(2) . ?
O14 C91 1.37(2) . ?
O15 C98 1.32(2) . ?
O16 C105 1.336(19) . ?
O17 C112 1.321(19) . ?
O18 C119 1.35(2) . ?
O19 C126 1.34(2) . ?
O20 C140 1.34(2) . ?
O21 C147 1.395(19) . ?
O22 C168 1.431(18) . ?
O23 C169 1.423(17) . ?
O24 C167 1.445(19) . ?
O25 C166 1.262(19) . ?
O26 C166 1.313(19) . ?
O27 C166 1.294(19) . ?
O28 C171 1.432(17) . ?
O29 C172 1.23(2) . ?
O30 C172 1.34(3) . ?
O31 C209 1.29(2) . ?
O32 C209 1.26(2) . ?
O33 C170 1.418(17) . ?
O34 C182 1.26(2) . ?
O35 C295 1.18(2) . ?
O36 C298 1.421(10) . ?
O37 C176 1.19(3) . ?
O38 C175 1.45(3) . ?
O39 C174 1.41(2) . ?
O40 C154 1.36(3) . ?
O41 C160 1.371(15) . ?
O42 C185 1.36(2) . ?
O43 C292 1.03(3) . ?
O44 C291 1.12(2) . ?
O45 C501 1.26(6) . ?
C1 C2 1.37(2) . ?
C1 C6 1.41(2) . ?
C2 C3 1.39(2) . ?
C2 C55 1.51(2) . ?
C3 C4 1.40(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.36(3) . ?
C4 C194 1.538(10) . ?
C5 C6 1.40(2) . ?
C5 H5A 0.9500 . ?
C6 C7 1.53(2) . ?
C7 C9 1.53(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.38(2) . ?
C8 C13 1.41(2) . ?
C9 C10 1.40(2) . ?
C11 C12 1.38(2) . ?
C11 C10 1.40(2) . ?
C11 C187 1.53(2) . ?
C12 C13 1.38(2) . ?
C12 H12A 0.9500 . ?
C13 C14 1.49(2) . ?
C14 C16 1.49(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.41(2) . ?
C15 C20 1.41(3) . ?
C16 C17 1.41(2) . ?
C17 C18 1.43(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.40(3) . ?
C18 C188 1.56(3) . ?
C19 C20 1.35(2) . ?
C19 H19A 0.9500 . ?
C20 C21 1.50(3) . ?
C21 C23 1.49(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C27 1.34(3) . ?
C22 C23 1.38(3) . ?
C23 C24 1.31(3) . ?
C24 C25 1.40(3) . ?
C24 H24A 0.9500 . ?
C25 C26 1.39(3) . ?
C25 C189 1.52(3) . ?
C26 C27 1.41(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C286 1.56(3) . ?
C28 C29 1.3900 . ?
C28 C33 1.3900 . ?
C29 C30 1.3900 . ?
C29 C286 1.52(2) . ?
C30 C31 1.3900 . ?
C30 H33A 0.9500 . ?
C31 C32 1.3900 . ?
C31 C190 1.543(10) . ?
C32 C33 1.3900 . ?
C32 H32A 0.9500 . ?
C33 C34 1.477(19) . ?
C34 C36 1.52(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C40 1.38(2) . ?
C35 C36 1.40(2) . ?
C36 C37 1.39(2) . ?
C37 C38 1.36(2) . ?
C37 H37A 0.9500 . ?
C38 C39 1.39(2) . ?
C38 C191 1.539(10) . ?
C39 C40 1.40(2) . ?
C39 H39A 0.9500 . ?
C40 C41 1.52(2) . ?
C41 C43 1.50(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C47 1.36(2) . ?
C42 C43 1.37(2) . ?
C43 C44 1.39(2) . ?
C44 C45 1.35(2) . ?
C44 H44A 0.9500 . ?
C45 C46 1.38(2) . ?
C45 C192 1.542(10) . ?
C46 C47 1.40(2) . ?
C46 H46A 0.9500 . ?
C47 C48 1.53(2) . ?
C48 C50 1.52(2) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C54 1.37(2) . ?
C49 C50 1.39(2) . ?
C50 C51 1.38(2) . ?
C51 C52 1.38(2) . ?
C51 H51A 0.9500 . ?
C52 C53 1.37(2) . ?
C52 C193 1.55(3) . ?
C53 C54 1.42(2) . ?
C53 H53A 0.9500 . ?
C54 C55 1.55(2) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C61 1.37(2) . ?
C56 C57 1.41(2) . ?
C57 C58 1.38(2) . ?
C57 C111 1.53(2) . ?
C58 C59 1.42(2) . ?
C58 H58A 0.9500 . ?
C59 C60 1.38(2) . ?
C59 C195 1.542(10) . ?
C60 C61 1.40(2) . ?
C60 H60A 0.9500 . ?
C61 C62 1.50(2) . ?
C62 C64 1.51(2) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.35(2) . ?
C63 C68 1.42(2) . ?
C64 C65 1.39(2) . ?
C65 C66 1.39(2) . ?
C65 H65A 0.9500 . ?
C66 C67 1.39(2) . ?
C66 C196 1.538(10) . ?
C67 C68 1.40(2) . ?
C67 H67A 0.9500 . ?
C68 C69 1.52(2) . ?
C69 C71 1.51(2) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C75 1.39(2) . ?
C70 C71 1.40(2) . ?
C71 C72 1.39(2) . ?
C72 C73 1.39(3) . ?
C72 H72A 0.9500 . ?
C73 C74 1.38(3) . ?
C73 C197 1.546(10) . ?
C74 C75 1.36(3) . ?
C74 H74A 0.9500 . ?
C75 C76 1.48(2) . ?
C76 C78 1.49(3) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.40(3) . ?
C77 C82 1.44(3) . ?
C78 C79 1.40(3) . ?
C79 C80 1.39(3) . ?
C79 H79A 0.9500 . ?
C80 C81 1.37(3) . ?
C80 C198 1.56(3) . ?
C81 C82 1.39(3) . ?
C81 H81A 0.9500 . ?
C82 C83 1.49(3) . ?
C83 C85 1.53(3) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 C89 1.37(2) . ?
C84 C85 1.44(3) . ?
C85 C86 1.39(3) . ?
C86 C87 1.38(3) . ?
C86 H86A 0.9500 . ?
C87 C88 1.43(3) . ?
C87 C199 1.539(10) . ?
C88 C89 1.38(3) . ?
C88 H88A 0.9500 . ?
C89 C90 1.50(2) . ?
C90 C92 1.45(2) . ?
C90 H90A 0.9500 . ?
C91 C96 1.40(2) . ?
C91 C92 1.43(2) . ?
C92 C93 1.42(2) . ?
C93 C94 1.37(3) . ?
C93 H93A 0.9500 . ?
C94 C95 1.37(3) . ?
C94 C200 1.535(10) . ?
C95 C96 1.44(2) . ?
C95 H95A 0.9500 . ?
C96 C97 1.50(2) . ?
C97 C99 1.50(2) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 C103 1.41(2) . ?
C98 C99 1.42(2) . ?
C99 C100 1.40(3) . ?
C100 C101 1.40(3) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C101 C102 1.38(3) . ?
C101 C201 1.544(10) . ?
C102 C103 1.39(2) . ?
C102 H10C 0.9500 . ?
C103 C104 1.49(2) . ?
C104 C106 1.55(2) . ?
C104 H10D 0.9900 . ?
C104 H10E 0.9900 . ?
C105 C110 1.40(2) . ?
C105 C106 1.41(2) . ?
C106 C107 1.37(2) . ?
C107 C108 1.36(2) . ?
C107 H10F 0.9500 . ?
C108 C109 1.39(2) . ?
C108 C202 1.527(10) . ?
C109 C110 1.41(2) . ?
C109 H10G 0.9500 . ?
C110 C111 1.48(2) . ?
C111 H11A 0.9900 . ?
C111 H11B 0.9900 . ?
C112 C117 1.42(2) . ?
C112 C113 1.44(2) . ?
C113 C114 1.37(2) . ?
C113 C186 1.51(2) . ?
C114 C115 1.41(3) . ?
C114 H11C 0.9500 . ?
C115 C116 1.39(3) . ?
C115 C213 1.57(3) . ?
C116 C117 1.40(2) . ?
C116 H11D 0.9500 . ?
C117 C118 1.49(2) . ?
C118 C120 1.52(2) . ?
C118 H11E 0.9900 . ?
C118 H11F 0.9900 . ?
C119 C120 1.37(2) . ?
C119 C124 1.44(2) . ?
C120 C121 1.42(2) . ?
C121 C122 1.41(3) . ?
C121 H12B 0.9900 . ?
C121 H12C 0.9900 . ?
C122 C123 1.38(3) . ?
C122 C204 1.534(10) . ?
C123 C124 1.39(2) . ?
C123 H12D 0.9500 . ?
C124 C125 1.49(3) . ?
C125 C127 1.49(3) . ?
C125 H12E 0.9900 . ?
C125 H12F 0.9900 . ?
C126 C127 1.40(3) . ?
C126 C130 1.45(3) . ?
C127 C128 1.43(3) . ?
C128 C129 1.43(3) . ?
C128 H12G 0.9500 . ?
C129 C153 1.28(3) . ?
C129 C205 1.541(10) . ?
C130 C153 1.40(3) . ?
C130 C131 1.46(3) . ?
C131 C132 1.54(3) . ?
C131 H13A 0.9900 . ?
C131 H13B 0.9900 . ?
C132 C154 1.35(3) . ?
C132 C155 1.44(3) . ?
C133 C165 1.51(2) . ?
C133 C134 1.54(3) . ?
C133 H13C 0.9900 . ?
C133 H13D 0.9900 . ?
C134 C185 1.41(3) . ?
C134 C135 1.41(3) . ?
C135 C136 1.38(3) . ?
C135 H13E 0.9500 . ?
C136 C137 1.35(3) . ?
C136 C206 1.540(10) . ?
C137 C138 1.41(3) . ?
C137 H13F 0.9500 . ?
C138 C185 1.39(2) . ?
C138 C139 1.49(2) . ?
C139 C141 1.48(2) . ?
C139 H13G 0.9900 . ?
C139 H13H 0.9900 . ?
C140 C145 1.40(2) . ?
C140 C141 1.41(2) . ?
C141 C142 1.39(2) . ?
C142 C143 1.37(3) . ?
C142 H14C 0.9500 . ?
C143 C144 1.38(3) . ?
C143 C207 1.539(10) . ?
C144 C145 1.35(2) . ?
C144 H14D 0.9500 . ?
C145 C146 1.51(2) . ?
C146 C148 1.53(2) . ?
C146 H14E 0.9900 . ?
C146 H14F 0.9900 . ?
C147 C152 1.39(2) . ?
C147 C148 1.42(2) . ?
C148 C149 1.36(2) . ?
C149 C150 1.39(2) . ?
C149 H14G 0.9500 . ?
C150 C151 1.36(2) . ?
C150 C203 1.537(10) . ?
C151 C152 1.38(2) . ?
C151 H15A 0.9500 . ?
C152 C186 1.53(2) . ?
C153 H15B 0.9500 . ?
C154 C158 1.36(3) . ?
C155 C156 1.49(4) . ?
C155 H15C 0.9500 . ?
C156 C157 1.37(4) . ?
C156 C211 1.553(10) . ?
C157 C158 1.39(4) . ?
C157 H15D 0.9500 . ?
C158 C159 1.54(4) . ?
C159 C161 1.51(3) . ?
C159 H15E 0.9900 . ?
C159 H15F 0.9900 . ?
C160 C161 1.3900 . ?
C160 C165 1.3900 . ?
C161 C162 1.3900 . ?
C162 C163 1.3900 . ?
C162 H16A 0.9500 . ?
C163 C164 1.3900 . ?
C163 C212 1.544(10) . ?
C164 C165 1.3900 . ?
C164 H16B 0.9500 . ?
C167 H16C 0.9800 . ?
C167 H16D 0.9800 . ?
C167 H16E 0.9800 . ?
C168 H16F 0.9800 . ?
C168 H16G 0.9800 . ?
C168 H16H 0.9800 . ?
C169 H16I 0.9800 . ?
C169 H16J 0.9800 . ?
C169 H16K 0.9800 . ?
C170 H17C 0.9800 . ?
C170 H17D 0.9800 . ?
C170 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C171 H17G 0.9800 . ?
C171 H17H 0.9800 . ?
C172 C173 1.48(3) . ?
C173 H17I 0.9800 . ?
C173 H17J 0.9800 . ?
C173 H17K 0.9800 . ?
C174 H17L 0.9800 . ?
C174 H17M 0.9800 . ?
C174 H17N 0.9800 . ?
C175 H17O 0.9800 . ?
C175 H17P 0.9800 . ?
C175 H17Q 0.9800 . ?
C176 H17R 0.9500 . ?
C177 H17S 0.9800 . ?
C177 H17T 0.9800 . ?
C177 H17U 0.9800 . ?
C178 H17V 0.9800 . ?
C178 H17W 0.9800 . ?
C178 H17X 0.9800 . ?
C182 H18C 0.9500 . ?
C186 H18A 0.9900 . ?
C186 H18B 0.9900 . ?
C187 C217 1.533(10) . ?
C187 C219 1.533(10) . ?
C187 C218 1.534(10) . ?
C188 C221 1.529(10) . ?
C188 C222 1.531(10) . ?
C188 C220 1.536(10) . ?
C189 C285 1.534(10) . ?
C189 C223 1.537(7) . ?
C189 C284 1.537(10) . ?
C190 C225 1.532(10) . ?
C190 C224 1.535(10) . ?
C190 C226 1.537(10) . ?
C191 C228 1.52(3) . ?
C191 C229 1.53(3) . ?
C191 C227 1.528(10) . ?
C192 C232 1.534(10) . ?
C192 C231 1.537(10) . ?
C192 C230 1.537(10) . ?
C193 C234 1.527(10) . ?
C193 C233 1.532(10) . ?
C193 C235 1.543(10) . ?
C194 C15' 1.48(7) . ?
C194 C216 1.535(10) . ?
C194 C214 1.539(11) . ?
C194 C215 1.541(11) . ?
C194 C14' 1.542(11) . ?
C195 C236 1.530(10) . ?
C195 C237 1.534(10) . ?
C195 C238 1.536(10) . ?
C196 C240 1.532(10) . ?
C196 C239 1.535(10) . ?
C196 C241 1.539(10) . ?
C197 C244 1.52(3) . ?
C197 C242 1.536(10) . ?
C197 C243 1.539(10) . ?
C198 C245 1.51(3) . ?
C198 C246 1.535(10) . ?
C198 C247 1.54(3) . ?
C199 C249 1.534(10) . ?
C199 C248 1.535(10) . ?
C199 C250 1.539(10) . ?
C200 C253 1.523(10) . ?
C200 C251 1.532(10) . ?
C200 C252 1.534(10) . ?
C201 C254 1.533(10) . ?
C201 C255 1.546(10) . ?
C201 C256 1.57(4) . ?
C202 C257 1.531(10) . ?
C202 C259 1.533(10) . ?
C202 C258 1.537(10) . ?
C203 C275 1.531(10) . ?
C203 C276 1.535(10) . ?
C203 C274 1.539(10) . ?
C204 C265 1.532(10) . ?
C204 C263 1.532(10) . ?
C204 C264 1.540(10) . ?
C205 C267 1.534(10) . ?
C205 C277 1.537(11) . ?
C205 C266 1.537(10) . ?
C206 C270 1.534(10) . ?
C206 C271 1.536(10) . ?
C206 C82' 1.538(11) . ?
C206 C282 1.540(11) . ?
C207 C283 1.532(10) . ?
C207 C272 1.533(10) . ?
C207 C273 1.541(10) . ?
C209 C210 1.50(3) . ?
C210 H21C 0.9800 . ?
C210 H21D 0.9800 . ?
C210 H21E 0.9800 . ?
C211 C278 1.49(5) . ?
C211 C269 1.533(10) . ?
C211 C268 1.539(11) . ?
C212 C279 1.534(10) . ?
C212 C280 1.534(11) . ?
C212 C281 1.538(10) . ?
C212 C80' 1.538(11) . ?
C213 C262 1.42(3) . ?
C213 C260 1.43(4) . ?
C213 C261 1.59(5) . ?
C214 H21F 0.9800 . ?
C214 H21G 0.9800 . ?
C214 H21H 0.9800 . ?
C215 H21I 0.9800 . ?
C215 H21J 0.9800 . ?
C215 H21K 0.9800 . ?
C15' H15G 0.9800 . ?
C15' H15H 0.9800 . ?
C15' H15I 0.9800 . ?
C14' H14H 0.9800 . ?
C14' H14I 0.9800 . ?
C14' H14J 0.9800 . ?
C216 H21L 0.9800 . ?
C216 H21M 0.9800 . ?
C216 H21N 0.9800 . ?
C217 H21O 0.9800 . ?
C217 H21P 0.9800 . ?
C217 H21Q 0.9800 . ?
C218 H21R 0.9800 . ?
C218 H21S 0.9800 . ?
C218 H21T 0.9800 . ?
C219 H21U 0.9800 . ?
C219 H21V 0.9800 . ?
C219 H21W 0.9800 . ?
C220 H22A 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C221 H22D 0.9800 . ?
C221 H22E 0.9800 . ?
C221 H22F 0.9800 . ?
C222 H22G 0.9800 . ?
C222 H22H 0.9800 . ?
C222 H22I 0.9800 . ?
C223 H22J 0.9800 . ?
C223 H22K 0.9800 . ?
C223 H22L 0.9800 . ?
C224 H22M 0.9800 . ?
C224 H22N 0.9800 . ?
C224 H22O 0.9800 . ?
C225 H22P 0.9800 . ?
C225 H22Q 0.9800 . ?
C225 H22R 0.9800 . ?
C226 H22S 0.9800 . ?
C226 H22T 0.9800 . ?
C226 H22U 0.9800 . ?
C227 H22V 0.9800 . ?
C227 H22W 0.9800 . ?
C227 H22X 0.9800 . ?
C228 H22Y 0.9800 . ?
C228 H22Z 0.9800 . ?
C228 H23A 0.9800 . ?
C229 H23B 0.9800 . ?
C229 H23C 0.9800 . ?
C229 H23D 0.9800 . ?
C230 H23E 0.9800 . ?
C230 H23F 0.9800 . ?
C230 H23G 0.9800 . ?
C231 H23H 0.9800 . ?
C231 H23I 0.9800 . ?
C231 H23J 0.9800 . ?
C232 H23K 0.9800 . ?
C232 H23L 0.9800 . ?
C232 H23M 0.9800 . ?
C233 H23N 0.9800 . ?
C233 H23O 0.9800 . ?
C233 H23P 0.9800 . ?
C234 H23Q 0.9800 . ?
C234 H23R 0.9800 . ?
C234 H23S 0.9800 . ?
C235 H23T 0.9800 . ?
C235 H23U 0.9800 . ?
C235 H23V 0.9800 . ?
C236 H23W 0.9800 . ?
C236 H23X 0.9800 . ?
C236 H23Y 0.9800 . ?
C237 H23Z 0.9800 . ?
C237 H24B 0.9800 . ?
C237 H24C 0.9800 . ?
C238 H24D 0.9800 . ?
C238 H24E 0.9800 . ?
C238 H24F 0.9800 . ?
C239 H24G 0.9800 . ?
C239 H24H 0.9800 . ?
C239 H24I 0.9800 . ?
C240 H24J 0.9800 . ?
C240 H24K 0.9800 . ?
C240 H24L 0.9800 . ?
C241 H24M 0.9800 . ?
C241 H24N 0.9800 . ?
C241 H24O 0.9800 . ?
C242 H24P 0.9800 . ?
C242 H24Q 0.9800 . ?
C242 H24R 0.9800 . ?
C243 H24S 0.9800 . ?
C243 H24T 0.9800 . ?
C243 H24U 0.9800 . ?
C244 H24V 0.9800 . ?
C244 H24W 0.9800 . ?
C244 H24X 0.9800 . ?
C245 H24Y 0.9800 . ?
C245 H24Z 0.9800 . ?
C245 H25A 0.9800 . ?
C246 H25B 0.9800 . ?
C246 H25C 0.9800 . ?
C246 H25D 0.9800 . ?
C247 H25E 0.9800 . ?
C247 H25F 0.9800 . ?
C247 H25G 0.9800 . ?
C248 H25H 0.9800 . ?
C248 H25I 0.9800 . ?
C248 H25J 0.9800 . ?
C249 H25K 0.9800 . ?
C249 H25L 0.9800 . ?
C249 H25M 0.9800 . ?
C250 H25N 0.9800 . ?
C250 H25O 0.9800 . ?
C250 H25P 0.9800 . ?
C251 H25Q 0.9800 . ?
C251 H25R 0.9800 . ?
C251 H25S 0.9800 . ?
C252 H25T 0.9800 . ?
C252 H25U 0.9800 . ?
C252 H25V 0.9800 . ?
C253 H25W 0.9800 . ?
C253 H25X 0.9800 . ?
C253 H25Y 0.9800 . ?
C254 H25Z 0.9800 . ?
C254 H26C 0.9800 . ?
C254 H26D 0.9800 . ?
C255 H26E 0.9800 . ?
C255 H26F 0.9800 . ?
C255 H26G 0.9800 . ?
C256 H26H 0.9800 . ?
C256 H26I 0.9800 . ?
C256 H26J 0.9800 . ?
C257 H26K 0.9800 . ?
C257 H26L 0.9800 . ?
C257 H26M 0.9800 . ?
C258 H25$ 0.9800 . ?
C258 H32 0.9800 . ?
C258 H30A 0.9800 . ?
C259 H30$ 0.9800 . ?
C259 H35 0.9800 . ?
C259 H30B 0.9800 . ?
C260 H26R 0.9800 . ?
C260 H26S 0.9800 . ?
C260 H26T 0.9800 . ?
C261 H26U 0.9800 . ?
C261 H26V 0.9800 . ?
C261 H26W 0.9800 . ?
C262 H26X 0.9800 . ?
C262 H26Y 0.9800 . ?
C262 H26Z 0.9800 . ?
C263 H27A 0.9800 . ?
C263 H27B 0.9800 . ?
C263 H27C 0.9800 . ?
C264 H27D 0.9800 . ?
C264 H27E 0.9800 . ?
C264 H27F 0.9800 . ?
C265 H27G 0.9800 . ?
C265 H27H 0.9800 . ?
C265 H27I 0.9800 . ?
C266 H27J 0.9800 . ?
C266 H27K 0.9800 . ?
C266 H27L 0.9800 . ?
C267 H27M 0.9800 . ?
C267 H27N 0.9800 . ?
C267 H27O 0.9800 . ?
C268 H27P 0.9800 . ?
C268 H27Q 0.9800 . ?
C268 H27R 0.9800 . ?
C269 H27S 0.9800 . ?
C269 H27T 0.9800 . ?
C269 H27U 0.9800 . ?
C270 C282 1.96(7) . ?
C270 H27V 0.9800 . ?
C270 H27W 0.9800 . ?
C270 H27$ 0.9800 . ?
C271 H27X 0.9800 . ?
C271 H27Y 0.9800 . ?
C271 H27Z 0.9800 . ?
C272 H40A 0.9800 . ?
C272 H28B 0.9800 . ?
C272 H28C 0.9800 . ?
C273 H28D 0.9800 . ?
C273 H28E 0.9800 . ?
C273 H28F 0.9800 . ?
C274 H28G 0.9800 . ?
C274 H28H 0.9800 . ?
C274 H28I 0.9800 . ?
C275 H28J 0.9800 . ?
C275 H28K 0.9800 . ?
C275 H28L 0.9800 . ?
C276 H28M 0.9800 . ?
C276 H28N 0.9800 . ?
C276 H28O 0.9800 . ?
C277 H28P 0.9800 . ?
C277 H28Q 0.9800 . ?
C277 H28R 0.9800 . ?
C278 H28S 0.9800 . ?
C278 H28T 0.9800 . ?
C278 H28U 0.9800 . ?
C279 H28V 0.9800 . ?
C279 H28W 0.9800 . ?
C279 H28X 0.9800 . ?
C280 H45$ 0.9800 . ?
C280 H50 0.9800 . ?
C280 H50A 0.9800 . ?
C80' H80A 0.9800 . ?
C80' H80B 0.9800 . ?
C80' H80C 0.9800 . ?
C281 H70$ 0.9800 . ?
C281 H60 0.9800 . ?
C281 H28A 0.9800 . ?
C282 H28$ 0.9800 . ?
C282 H99 0.9800 . ?
C282 H31A 0.9800 . ?
C82' H82A 0.9800 . ?
C82' H82B 0.9800 . ?
C82' H82C 0.9800 . ?
C283 H29E 0.9800 . ?
C283 H29F 0.9800 . ?
C283 H29G 0.9800 . ?
C284 H29H 0.9800 . ?
C284 H29I 0.9800 . ?
C284 H29J 0.9800 . ?
C285 H29K 0.9800 . ?
C285 H29L 0.9800 . ?
C285 H29M 0.9800 . ?
C10 H10H 0.9500 . ?
C286 H29N 0.9900 . ?
C286 H29O 0.9900 . ?
C288 H29P 0.9800 . ?
C288 H29Q 0.9800 . ?
C288 H29R 0.9800 . ?
C287 H29S 0.9800 . ?
C287 H29T 0.9800 . ?
C287 H29U 0.9800 . ?
C290 H29A 0.9800 . ?
C290 H29B 0.9800 . ?
C290 H29C 0.9800 . ?
C296 H29V 0.9800 . ?
C296 H29W 0.9800 . ?
C296 H29X 0.9800 . ?
C297 H29Y 0.9800 . ?
C297 H29Z 0.9800 . ?
C297 H2:A 0.9800 . ?
C294 H2:B 0.9800 . ?
C294 H2:C 0.9800 . ?
C294 H2:D 0.9800 . ?
C299 C307 2.04(4) . ?
C302 C303 1.45(3) . ?
C302 H30C 0.9900 . ?
C302 H30D 0.9900 . ?
C301 C305 1.44(4) . ?
C301 H30E 0.9900 . ?
C301 H30F 0.9900 . ?
C303 H30G 0.9800 . ?
C303 H30H 0.9800 . ?
C303 H30I 0.9800 . ?
C305 H30J 0.9800 . ?
C305 H30K 0.9800 . ?
C305 H30L 0.9800 . ?
C309 C308 1.520(11) . ?

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
O2 Eu1 O6 72.7(4) . . ?
O2 Eu1 O1 107.4(4) . . ?
O6 Eu1 O1 158.4(4) . . ?
O2 Eu1 O7 132.4(3) . . ?
O6 Eu1 O7 85.0(4) . . ?
O1 Eu1 O7 108.1(3) . . ?
O2 Eu1 O33 145.7(4) . . ?
O6 Eu1 O33 93.4(3) . . ?
O1 Eu1 O33 74.4(3) . . ?
O7 Eu1 O33 75.0(4) . . ?
O2 Eu1 O35 79.3(5) . . ?
O6 Eu1 O35 119.3(4) . . ?
O1 Eu1 O35 81.2(4) . . ?
O7 Eu1 O35 76.0(4) . . ?
O33 Eu1 O35 133.5(4) . . ?
O2 Eu1 O31 68.8(4) . . ?
O6 Eu1 O31 69.7(4) . . ?
O1 Eu1 O31 89.9(4) . . ?
O7 Eu1 O31 140.8(4) . . ?
O33 Eu1 O31 77.0(4) . . ?
O35 Eu1 O31 142.5(5) . . ?
O2 Eu1 Co2 165.9(3) . . ?
O6 Eu1 Co2 94.8(3) . . ?
O1 Eu1 Co2 86.6(3) . . ?
O7 Eu1 Co2 37.5(3) . . ?
O33 Eu1 Co2 38.3(2) . . ?
O35 Eu1 Co2 102.4(4) . . ?
O31 Eu1 Co2 113.4(3) . . ?
O2 Eu1 Co1 140.5(3) . . ?
O6 Eu1 Co1 130.8(3) . . ?
O1 Eu1 Co1 37.9(3) . . ?
O7 Eu1 Co1 85.5(2) . . ?
O33 Eu1 Co1 37.6(2) . . ?
O35 Eu1 Co1 104.8(4) . . ?
O31 Eu1 Co1 88.8(3) . . ?
Co2 Eu1 Co1 52.99(6) . . ?
O2 Eu1 Eu5 41.0(3) . . ?
O6 Eu1 Eu5 39.9(3) . . ?
O1 Eu1 Eu5 127.3(3) . . ?
O7 Eu1 Eu5 123.9(2) . . ?
O33 Eu1 Eu5 109.8(2) . . ?
O35 Eu1 Eu5 116.5(4) . . ?
O31 Eu1 Eu5 44.9(3) . . ?
Co2 Eu1 Eu5 130.23(5) . . ?
Co1 Eu1 Eu5 133.21(5) . . ?
O18 Eu2 O20 133.1(4) . . ?
O18 Eu2 O17 103.8(4) . . ?
O20 Eu2 O17 110.7(3) . . ?
O18 Eu2 O42 72.0(4) . . ?
O20 Eu2 O42 86.9(4) . . ?
O17 Eu2 O42 156.2(4) . . ?
O18 Eu2 O28 146.3(4) . . ?
O20 Eu2 O28 74.6(4) . . ?
O17 Eu2 O28 75.8(3) . . ?
O42 Eu2 O28 94.7(3) . . ?
O18 Eu2 O44 80.3(5) . . ?
O20 Eu2 O44 75.4(5) . . ?
O17 Eu2 O44 80.3(5) . . ?
O42 Eu2 O44 120.8(5) . . ?
O28 Eu2 O44 131.4(5) . . ?
O18 Eu2 O29 69.4(4) . . ?
O20 Eu2 O29 141.1(4) . . ?
O17 Eu2 O29 86.9(4) . . ?
O42 Eu2 O29 69.6(4) . . ?
O28 Eu2 O29 76.9(3) . . ?
O44 Eu2 O29 143.2(5) . . ?
O18 Eu2 Co3 137.5(3) . . ?
O20 Eu2 Co3 87.5(3) . . ?
O17 Eu2 Co3 38.4(3) . . ?
O42 Eu2 Co3 132.0(3) . . ?
O28 Eu2 Co3 38.3(2) . . ?
O44 Eu2 Co3 103.6(4) . . ?
O29 Eu2 Co3 86.2(3) . . ?
O18 Eu2 Co5 168.3(3) . . ?
O20 Eu2 Co5 37.5(3) . . ?
O17 Eu2 Co5 87.7(2) . . ?
O42 Eu2 Co5 98.2(3) . . ?
O28 Eu2 Co5 38.2(2) . . ?
O44 Eu2 Co5 100.0(4) . . ?
O29 Eu2 Co5 113.9(3) . . ?
Co3 Eu2 Co5 53.98(6) . . ?
O18 Eu2 Eu3 40.1(3) . . ?
O20 Eu2 Eu3 126.2(2) . . ?
O17 Eu2 Eu3 122.8(2) . . ?
O42 Eu2 Eu3 40.3(3) . . ?
O28 Eu2 Eu3 111.2(2) . . ?
O44 Eu2 Eu3 117.3(4) . . ?
O29 Eu2 Eu3 45.2(3) . . ?
Co3 Eu2 Eu3 131.30(5) . . ?
Co5 Eu2 Eu3 133.93(5) . . ?
O41 Eu3 O43 86.9(6) . . ?
O41 Eu3 O19 132.4(4) . . ?
O43 Eu3 O19 79.3(6) . . ?
O41 Eu3 O42 88.5(4) . . ?
O43 Eu3 O42 83.3(6) . . ?
O19 Eu3 O42 133.7(4) . . ?
O41 Eu3 O18 147.3(4) . . ?
O43 Eu3 O18 113.7(6) . . ?
O19 Eu3 O18 78.3(4) . . ?
O42 Eu3 O18 70.2(4) . . ?
O41 Eu3 O30 85.5(5) . . ?
O43 Eu3 O30 154.0(7) . . ?
O19 Eu3 O30 87.7(5) . . ?
O42 Eu3 O30 121.2(5) . . ?
O18 Eu3 O30 85.0(4) . . ?
O41 Eu3 O29 82.8(4) . . ?
O43 Eu3 O29 149.0(6) . . ?
O19 Eu3 O29 128.2(4) . . ?
O42 Eu3 O29 67.3(4) . . ?
O18 Eu3 O29 66.4(3) . . ?
O30 Eu3 O29 53.9(4) . . ?
O41 Eu3 O40 75.1(5) . . ?
O43 Eu3 O40 83.2(7) . . ?
O19 Eu3 O40 58.3(4) . . ?
O42 Eu3 O40 159.2(4) . . ?
O18 Eu3 O40 130.1(4) . . ?
O30 Eu3 O40 70.9(5) . . ?
O29 Eu3 O40 121.7(4) . . ?
O41 Eu3 C172 81.9(5) . . ?
O43 Eu3 C172 168.4(7) . . ?
O19 Eu3 C172 110.7(6) . . ?
O42 Eu3 C172 93.1(6) . . ?
O18 Eu3 C172 75.0(5) . . ?
O30 Eu3 C172 28.2(5) . . ?
O29 Eu3 C172 25.8(5) . . ?
O40 Eu3 C172 97.1(7) . . ?
O41 Eu3 C292 77.8(7) . . ?
O43 Eu3 C292 10.3(8) . . ?
O19 Eu3 C292 89.0(7) . . ?
O42 Eu3 C292 78.6(7) . . ?
O18 Eu3 C292 119.6(7) . . ?
O30 Eu3 C292 153.9(7) . . ?
O29 Eu3 C292 141.0(7) . . ?
O40 Eu3 C292 85.4(7) . . ?
C172 Eu3 C292 158.2(7) . . ?
O41 Eu3 Eu2 110.2(3) . . ?
O43 Eu3 Eu2 116.6(6) . . ?
O19 Eu3 Eu2 116.7(3) . . ?
O42 Eu3 Eu2 39.7(3) . . ?
O18 Eu3 Eu2 38.5(2) . . ?
O30 Eu3 Eu2 89.3(4) . . ?
O29 Eu3 Eu2 42.7(3) . . ?
O40 Eu3 Eu2 159.3(4) . . ?
C172 Eu3 Eu2 64.9(5) . . ?
C292 Eu3 Eu2 115.2(6) . . ?
O10 Eu4 O14 72.5(4) . . ?
O10 Eu4 O9 104.8(4) . . ?
O14 Eu4 O9 157.1(4) . . ?
O10 Eu4 O39 146.8(3) . . ?
O14 Eu4 O39 94.3(3) . . ?
O9 Eu4 O39 75.5(4) . . ?
O10 Eu4 O15 135.4(4) . . ?
O14 Eu4 O15 88.3(4) . . ?
O9 Eu4 O15 107.3(3) . . ?
O39 Eu4 O15 72.2(3) . . ?
O10 Eu4 O36 77.9(5) . . ?
O14 Eu4 O36 121.3(5) . . ?
O9 Eu4 O36 79.1(5) . . ?
O39 Eu4 O36 133.0(5) . . ?
O15 Eu4 O36 78.8(5) . . ?
O10 Eu4 O38 69.4(3) . . ?
O14 Eu4 O38 69.4(4) . . ?
O9 Eu4 O38 88.1(3) . . ?
O39 Eu4 O38 77.4(3) . . ?
O15 Eu4 O38 140.6(3) . . ?
O36 Eu4 O38 140.4(5) . . ?
O10 Eu4 Co6 137.5(3) . . ?
O14 Eu4 Co6 131.6(3) . . ?
O9 Eu4 Co6 37.8(3) . . ?
O39 Eu4 Co6 38.3(2) . . ?
O15 Eu4 Co6 85.1(3) . . ?
O36 Eu4 Co6 104.3(4) . . ?
O38 Eu4 Co6 86.3(2) . . ?
O10 Eu4 Co4 169.0(3) . . ?
O14 Eu4 Co4 97.9(3) . . ?
O9 Eu4 Co4 86.1(3) . . ?
O39 Eu4 Co4 36.6(2) . . ?
O15 Eu4 Co4 36.5(3) . . ?
O36 Eu4 Co4 103.6(4) . . ?
O38 Eu4 Co4 112.8(2) . . ?
Co6 Eu4 Co4 53.09(6) . . ?
O10 Eu4 Eu6 41.5(3) . . ?
O14 Eu4 Eu6 42.1(3) . . ?
O9 Eu4 Eu6 121.5(2) . . ?
O39 Eu4 Eu6 109.3(2) . . ?
O15 Eu4 Eu6 130.1(2) . . ?
O36 Eu4 Eu6 117.6(4) . . ?
O38 Eu4 Eu6 41.8(2) . . ?
Co6 Eu4 Eu6 128.08(5) . . ?
Co4 Eu4 Eu6 133.02(5) . . ?
O3 Eu5 O5 128.9(4) . . ?
O3 Eu5 O34 78.4(5) . . ?
O5 Eu5 O34 83.4(5) . . ?
O3 Eu5 O6 132.1(4) . . ?
O5 Eu5 O6 91.2(4) . . ?
O34 Eu5 O6 82.3(4) . . ?
O3 Eu5 O2 79.1(4) . . ?
O5 Eu5 O2 150.9(4) . . ?
O34 Eu5 O2 114.1(4) . . ?
O6 Eu5 O2 69.7(4) . . ?
O3 Eu5 O32 92.2(5) . . ?
O5 Eu5 O32 84.6(5) . . ?
O34 Eu5 O32 154.8(5) . . ?
O6 Eu5 O32 120.1(5) . . ?
O2 Eu5 O32 86.4(4) . . ?
O3 Eu5 O31 129.5(4) . . ?
O5 Eu5 O31 87.2(4) . . ?
O34 Eu5 O31 148.1(5) . . ?
O6 Eu5 O31 67.4(4) . . ?
O2 Eu5 O31 65.5(3) . . ?
O32 Eu5 O31 52.7(4) . . ?
O3 Eu5 O4 64.8(4) . . ?
O5 Eu5 O4 65.3(4) . . ?
O34 Eu5 O4 81.0(5) . . ?
O6 Eu5 O4 152.5(4) . . ?
O2 Eu5 O4 137.5(4) . . ?
O32 Eu5 O4 73.8(5) . . ?
O31 Eu5 O4 122.1(4) . . ?
O3 Eu5 C209 112.6(6) . . ?
O5 Eu5 C209 84.2(5) . . ?
O34 Eu5 C209 167.0(5) . . ?
O6 Eu5 C209 94.2(6) . . ?
O2 Eu5 C209 75.9(5) . . ?
O32 Eu5 C209 25.9(5) . . ?
O31 Eu5 C209 26.8(5) . . ?
O4 Eu5 C209 97.2(6) . . ?
O3 Eu5 Eu1 117.3(3) . . ?
O5 Eu5 Eu1 113.7(3) . . ?
O34 Eu5 Eu1 115.4(4) . . ?
O6 Eu5 Eu1 38.9(3) . . ?
O2 Eu5 Eu1 38.5(2) . . ?
O32 Eu5 Eu1 89.8(4) . . ?
O31 Eu5 Eu1 42.8(3) . . ?
O4 Eu5 Eu1 163.6(3) . . ?
C209 Eu5 Eu1 66.7(5) . . ?
O13 Eu6 O37 84.1(4) . . ?
O13 Eu6 O38 85.6(4) . . ?
O37 Eu6 O38 141.6(4) . . ?
O13 Eu6 O10 151.2(4) . . ?
O37 Eu6 O10 108.2(4) . . ?
O38 Eu6 O10 68.4(3) . . ?
O13 Eu6 O14 90.3(4) . . ?
O37 Eu6 O14 74.5(4) . . ?
O38 Eu6 O14 68.6(4) . . ?
O10 Eu6 O14 69.1(4) . . ?
O13 Eu6 O45 101.7(4) . . ?
O37 Eu6 O45 143.6(4) . . ?
O38 Eu6 O45 74.8(4) . . ?
O10 Eu6 O45 83.9(4) . . ?
O14 Eu6 O45 140.3(4) . . ?
O13 Eu6 O11 129.3(4) . . ?
O37 Eu6 O11 76.2(4) . . ?
O38 Eu6 O11 135.9(3) . . ?
O10 Eu6 O11 79.4(3) . . ?
O14 Eu6 O11 126.8(4) . . ?
O45 Eu6 O11 72.5(4) . . ?
O13 Eu6 O12 75.6(4) . . ?
O37 Eu6 O12 81.2(4) . . ?
O38 Eu6 O12 131.3(4) . . ?
O10 Eu6 O12 131.1(4) . . ?
O14 Eu6 O12 153.1(4) . . ?
O45 Eu6 O12 66.1(4) . . ?
O11 Eu6 O12 55.7(3) . . ?
O13 Eu6 Eu4 112.3(3) . . ?
O37 Eu6 Eu4 109.7(3) . . ?
O38 Eu6 Eu4 42.6(2) . . ?
O10 Eu6 Eu4 39.3(2) . . ?
O14 Eu6 Eu4 40.2(3) . . ?
O45 Eu6 Eu4 101.2(3) . . ?
O11 Eu6 Eu4 118.2(2) . . ?
O12 Eu6 Eu4 166.6(3) . . ?
O22 Co1 O8 144.5(4) . . ?
O22 Co1 O33 125.9(4) . . ?
O8 Co1 O33 84.9(4) . . ?
O22 Co1 O1 104.5(4) . . ?
O8 Co1 O1 93.8(4) . . ?
O33 Co1 O1 86.2(4) . . ?
O22 Co1 O26 75.0(4) . . ?
O8 Co1 O26 87.5(4) . . ?
O33 Co1 O26 92.8(4) . . ?
O1 Co1 O26 178.2(5) . . ?
O22 Co1 Co2 151.7(3) . . ?
O8 Co1 Co2 42.9(3) . . ?
O33 Co1 Co2 44.3(3) . . ?
O1 Co1 Co2 101.3(3) . . ?
O26 Co1 Co2 78.9(3) . . ?
O22 Co1 Eu1 133.3(3) . . ?
O8 Co1 Eu1 80.3(3) . . ?
O33 Co1 Eu1 43.9(3) . . ?
O1 Co1 Eu1 43.7(3) . . ?
O26 Co1 Eu1 135.6(3) . . ?
Co2 Co1 Eu1 63.20(6) . . ?
O23 Co2 O8 150.3(4) . . ?
O23 Co2 O7 102.9(4) . . ?
O8 Co2 O7 92.8(4) . . ?
O23 Co2 O33 121.3(4) . . ?
O8 Co2 O33 83.9(4) . . ?
O7 Co2 O33 87.5(4) . . ?
O23 Co2 O27 74.7(4) . . ?
O8 Co2 O27 89.2(4) . . ?
O7 Co2 O27 177.6(4) . . ?
O33 Co2 O27 94.1(4) . . ?
O23 Co2 Co1 150.8(3) . . ?
O8 Co2 Co1 42.4(3) . . ?
O7 Co2 Co1 101.3(3) . . ?
O33 Co2 Co1 43.9(3) . . ?
O27 Co2 Co1 81.1(3) . . ?
O23 Co2 Eu1 127.9(3) . . ?
O8 Co2 Eu1 80.5(3) . . ?
O7 Co2 Eu1 44.1(3) . . ?
O33 Co2 Eu1 44.4(3) . . ?
O27 Co2 Eu1 137.8(3) . . ?
Co1 Co2 Eu1 63.80(7) . . ?
O24 Co3 O21 145.3(4) . . ?
O24 Co3 O28 127.6(4) . . ?
O21 Co3 O28 83.0(4) . . ?
O24 Co3 O17 104.2(4) . . ?
O21 Co3 O17 91.9(4) . . ?
O28 Co3 O17 87.3(4) . . ?
O24 Co3 O25 75.5(4) . . ?
O21 Co3 O25 87.3(4) . . ?
O28 Co3 O25 94.5(4) . . ?
O17 Co3 O25 178.0(4) . . ?
O24 Co3 Eu2 133.6(3) . . ?
O21 Co3 Eu2 78.6(3) . . ?
O28 Co3 Eu2 44.5(3) . . ?
O17 Co3 Eu2 44.0(3) . . ?
O25 Co3 Eu2 137.5(3) . . ?
O24 Co4 O16 148.1(4) . . ?
O24 Co4 O15 105.1(4) . . ?
O16 Co4 O15 93.5(4) . . ?
O24 Co4 O39 121.8(4) . . ?
O16 Co4 O39 84.9(4) . . ?
O15 Co4 O39 85.0(4) . . ?
O24 Co4 O25 75.0(4) . . ?
O16 Co4 O25 88.5(4) . . ?
O15 Co4 O25 175.3(4) . . ?
O39 Co4 O25 91.0(4) . . ?
O24 Co4 Co6 149.7(3) . . ?
O16 Co4 Co6 43.4(3) . . ?
O15 Co4 Co6 99.9(3) . . ?
O39 Co4 Co6 43.8(3) . . ?
O25 Co4 Co6 78.7(3) . . ?
O24 Co4 Eu4 130.1(3) . . ?
O16 Co4 Eu4 81.0(3) . . ?
O15 Co4 Eu4 43.6(3) . . ?
O39 Co4 Eu4 42.5(3) . . ?
O25 Co4 Eu4 132.9(3) . . ?
Co6 Co4 Eu4 62.32(7) . . ?
O22 Co5 O21 148.5(4) . . ?
O22 Co5 O20 103.5(4) . . ?
O21 Co5 O20 93.1(4) . . ?
O22 Co5 O28 123.6(4) . . ?
O21 Co5 O28 83.4(4) . . ?
O20 Co5 O28 86.6(4) . . ?
O22 Co5 O26 75.6(4) . . ?
O21 Co5 O26 88.4(4) . . ?
O20 Co5 O26 178.3(4) . . ?
O28 Co5 O26 92.7(4) . . ?
O22 Co5 Eu2 131.2(3) . . ?
O21 Co5 Eu2 78.7(3) . . ?
O20 Co5 Eu2 43.7(3) . . ?
O28 Co5 Eu2 44.4(3) . . ?
O26 Co5 Eu2 135.9(3) . . ?
O23 Co6 O9 102.1(4) . . ?
O23 Co6 O16 145.9(4) . . ?
O9 Co6 O16 95.0(4) . . ?
O23 Co6 O39 126.3(4) . . ?
O9 Co6 O39 87.3(4) . . ?
O16 Co6 O39 83.3(4) . . ?
O23 Co6 O27 74.8(4) . . ?
O9 Co6 O27 176.6(4) . . ?
O16 Co6 O27 88.4(4) . . ?
O39 Co6 O27 93.5(4) . . ?
O23 Co6 Co4 152.7(3) . . ?
O9 Co6 Co4 102.2(3) . . ?
O16 Co6 Co4 42.3(3) . . ?
O39 Co6 Co4 43.2(3) . . ?
O27 Co6 Co4 80.6(3) . . ?
O23 Co6 Eu4 129.9(3) . . ?
O9 Co6 Eu4 44.0(3) . . ?
O16 Co6 Eu4 82.2(3) . . ?
O39 Co6 Eu4 44.1(3) . . ?
O27 Co6 Eu4 137.3(3) . . ?
Co4 Co6 Eu4 64.59(7) . . ?
C176 N1 C177 124(2) . . ?
C176 N1 C178 119.3(18) . . ?
C177 N1 C178 116.2(19) . . ?
C182 N2 C288 122(2) . . ?
C182 N2 C287 122(2) . . ?
C288 N2 C287 115.4(18) . . ?
C291 N3 C289 112(2) . . ?
C291 N3 C290 124(2) . . ?
C289 N3 C290 123.9(19) . . ?
C292 N4 C294 130(3) . . ?
C292 N4 C293 113(2) . . ?
C294 N4 C293 117(2) . . ?
C295 N5 C296 121(2) . . ?
C295 N5 C297 120.1(19) . . ?
C296 N5 C297 116.7(17) . . ?
C298 N6 C299 128(3) . . ?
C298 N6 C307 118(3) . . ?
C299 N6 C307 93(2) . . ?
C308 N7 C302 115(3) . . ?
C308 N7 C301 110(3) . . ?
C302 N7 C301 112(2) . . ?
C1 O1 Co1 124.6(10) . . ?
C1 O1 Eu1 134.1(9) . . ?
Co1 O1 Eu1 98.4(4) . . ?
C8 O2 Eu1 128.3(9) . . ?
C8 O2 Eu5 131.2(9) . . ?
Eu1 O2 Eu5 100.5(4) . . ?
C15 O3 Eu5 135.6(11) . . ?
C22 O4 Eu5 126.3(12) . . ?
C28 O5 Eu5 139.3(9) . . ?
C35 O6 Eu1 130.4(10) . . ?
C35 O6 Eu5 126.6(9) . . ?
Eu1 O6 Eu5 101.2(5) . . ?
C42 O7 Co2 123.2(10) . . ?
C42 O7 Eu1 137.0(9) . . ?
Co2 O7 Eu1 98.5(5) . . ?
C49 O8 Co1 130.9(10) . . ?
C49 O8 Co2 127.7(9) . . ?
Co1 O8 Co2 94.7(4) . . ?
C56 O9 Co6 125.3(9) . . ?
C56 O9 Eu4 135.1(9) . . ?
Co6 O9 Eu4 98.2(5) . . ?
C63 O10 Eu4 130.6(9) . . ?
C63 O10 Eu6 128.9(9) . . ?
Eu4 O10 Eu6 99.2(4) . . ?
C70 O11 Eu6 134.0(9) . . ?
C77 O12 Eu6 138.4(10) . . ?
C84 O13 Eu6 130.2(10) . . ?
C91 O14 Eu4 128.5(9) . . ?
C91 O14 Eu6 132.4(9) . . ?
Eu4 O14 Eu6 97.8(4) . . ?
C98 O15 Co4 125.1(10) . . ?
C98 O15 Eu4 133.1(10) . . ?
Co4 O15 Eu4 99.9(5) . . ?
C105 O16 Co4 129.3(10) . . ?
C105 O16 Co6 127.9(10) . . ?
Co4 O16 Co6 94.3(4) . . ?
C112 O17 Co3 121.8(9) . . ?
C112 O17 Eu2 139.6(9) . . ?
Co3 O17 Eu2 97.6(4) . . ?
C119 O18 Eu2 128.5(10) . . ?
C119 O18 Eu3 129.9(10) . . ?
Eu2 O18 Eu3 101.4(4) . . ?
C126 O19 Eu3 132.6(12) . . ?
C140 O20 Co5 124.6(10) . . ?
C140 O20 Eu2 134.1(9) . . ?
Co5 O20 Eu2 98.8(5) . . ?
C147 O21 Co5 129.9(11) . . ?
C147 O21 Co3 128.1(11) . . ?
Co5 O21 Co3 95.1(5) . . ?
C168 O22 Co1 125.9(9) . . ?
C168 O22 Co5 123.7(9) . . ?
Co1 O22 Co5 109.3(5) . . ?
C169 O23 Co6 124.5(8) . . ?
C169 O23 Co2 124.5(9) . . ?
Co6 O23 Co2 109.7(5) . . ?
C167 O24 Co4 120.8(9) . . ?
C167 O24 Co3 128.7(9) . . ?
Co4 O24 Co3 109.8(5) . . ?
C166 O25 Co3 130.6(12) . . ?
C166 O25 Co4 130.0(11) . . ?
Co3 O25 Co4 98.7(5) . . ?
C166 O26 Co5 130.2(12) . . ?
C166 O26 Co1 131.0(11) . . ?
Co5 O26 Co1 98.6(5) . . ?
C166 O27 Co6 129.1(11) . . ?
C166 O27 Co2 130.4(11) . . ?
Co6 O27 Co2 99.5(5) . . ?
C171 O28 Co3 121.0(9) . . ?
C171 O28 Co5 115.8(9) . . ?
Co3 O28 Co5 93.2(4) . . ?
C171 O28 Eu2 125.4(8) . . ?
Co3 O28 Eu2 97.2(4) . . ?
Co5 O28 Eu2 97.4(4) . . ?
C172 O29 Eu2 143.1(12) . . ?
C172 O29 Eu3 89.8(14) . . ?
Eu2 O29 Eu3 92.1(4) . . ?
C172 O30 Eu3 93.9(13) . . ?
C209 O31 Eu1 147.2(11) . . ?
C209 O31 Eu5 89.7(12) . . ?
Eu1 O31 Eu5 92.3(4) . . ?
C209 O32 Eu5 96.5(12) . . ?
C170 O33 Co1 118.2(9) . . ?
C170 O33 Co2 115.4(9) . . ?
Co1 O33 Co2 91.8(4) . . ?
C170 O33 Eu1 128.2(8) . . ?
Co1 O33 Eu1 98.5(4) . . ?
Co2 O33 Eu1 97.3(4) . . ?
C182 O34 Eu5 141.1(16) . . ?
C295 O35 Eu1 148.8(17) . . ?
C298 O36 Eu4 152.4(17) . . ?
C176 O37 Eu6 137.7(14) . . ?
C175 O38 Eu6 126.2(12) . . ?
C175 O38 Eu4 134.8(12) . . ?
Eu6 O38 Eu4 95.5(4) . . ?
C174 O39 Co4 113.1(11) . . ?
C174 O39 Co6 122.8(11) . . ?
Co4 O39 Co6 93.0(4) . . ?
C174 O39 Eu4 123.6(11) . . ?
Co4 O39 Eu4 100.9(4) . . ?
Co6 O39 Eu4 97.6(4) . . ?
C154 O40 Eu3 131.9(16) . . ?
C160 O41 Eu3 133.9(10) . . ?
C185 O42 Eu2 128.1(10) . . ?
C185 O42 Eu3 129.6(10) . . ?
Eu2 O42 Eu3 100.1(5) . . ?
C292 O43 Eu3 146(3) . . ?
C291 O44 Eu2 143(2) . . ?
C501 O45 Eu6 129(3) . . ?
O1 C1 C2 121.8(16) . . ?
O1 C1 C6 119.9(16) . . ?
C2 C1 C6 118.2(17) . . ?
C1 C2 C3 119.4(17) . . ?
C1 C2 C55 124.1(15) . . ?
C3 C2 C55 116.4(16) . . ?
C2 C3 C4 123.5(17) . . ?
C2 C3 H3A 106.5 . . ?
C4 C3 H3A 106.5 . . ?
C2 C3 H3B 106.5 . . ?
C4 C3 H3B 106.5 . . ?
H3A C3 H3B 106.5 . . ?
C5 C4 C3 115.9(17) . . ?
C5 C4 C194 126(2) . . ?
C3 C4 C194 117.8(18) . . ?
C4 C5 C6 123(2) . . ?
C4 C5 H5A 118.6 . . ?
C6 C5 H5A 118.6 . . ?
C5 C6 C1 120.2(18) . . ?
C5 C6 C7 116.9(18) . . ?
C1 C6 C7 122.9(17) . . ?
C6 C7 C9 116.6(15) . . ?
C6 C7 H7A 108.1 . . ?
C9 C7 H7A 108.1 . . ?
C6 C7 H7B 108.1 . . ?
C9 C7 H7B 108.1 . . ?
H7A C7 H7B 107.3 . . ?
C9 C8 O2 119.7(16) . . ?
C9 C8 C13 121.2(17) . . ?
O2 C8 C13 119.1(16) . . ?
C8 C9 C10 118.0(16) . . ?
C8 C9 C7 121.9(17) . . ?
C10 C9 C7 120.1(16) . . ?
C12 C11 C10 116.7(17) . . ?
C12 C11 C187 124.1(18) . . ?
C10 C11 C187 119.2(17) . . ?
C11 C12 C13 123.4(17) . . ?
C11 C12 H12A 118.3 . . ?
C13 C12 H12A 118.3 . . ?
C12 C13 C8 117.9(16) . . ?
C12 C13 C14 119.6(16) . . ?
C8 C13 C14 122.5(16) . . ?
C16 C14 C13 113.8(13) . . ?
C16 C14 H14A 108.8 . . ?
C13 C14 H14A 108.8 . . ?
C16 C14 H14B 108.8 . . ?
C13 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
O3 C15 C16 117.8(19) . . ?
O3 C15 C20 123(2) . . ?
C16 C15 C20 119(2) . . ?
C15 C16 C17 118.7(18) . . ?
C15 C16 C14 122.3(17) . . ?
C17 C16 C14 119(2) . . ?
C16 C17 C18 120.8(17) . . ?
C16 C17 H17A 107.1 . . ?
C18 C17 H17A 107.1 . . ?
C16 C17 H17B 107.1 . . ?
C18 C17 H17B 107.1 . . ?
H17A C17 H17B 106.8 . . ?
C19 C18 C17 118.0(17) . . ?
C19 C18 C188 121(2) . . ?
C17 C18 C188 121(2) . . ?
C20 C19 C18 121.5(19) . . ?
C20 C19 H19A 119.2 . . ?
C18 C19 H19A 119.2 . . ?
C19 C20 C15 122(2) . . ?
C19 C20 C21 119(2) . . ?
C15 C20 C21 119(2) . . ?
C23 C21 C20 113.2(17) . . ?
C23 C21 H21A 108.9 . . ?
C20 C21 H21A 108.9 . . ?
C23 C21 H21B 108.9 . . ?
C20 C21 H21B 108.9 . . ?
H21A C21 H21B 107.8 . . ?
C27 C22 O4 119(3) . . ?
C27 C22 C23 120(2) . . ?
O4 C22 C23 121(2) . . ?
C24 C23 C22 121(2) . . ?
C24 C23 C21 118(2) . . ?
C22 C23 C21 120(2) . . ?
C23 C24 C25 123(2) . . ?
C23 C24 H24A 118.4 . . ?
C25 C24 H24A 118.4 . . ?
C26 C25 C24 115(2) . . ?
C26 C25 C189 121(3) . . ?
C24 C25 C189 124(3) . . ?
C25 C26 C27 122(2) . . ?
C25 C26 H26A 106.8 . . ?
C27 C26 H26A 106.8 . . ?
C25 C26 H26B 106.8 . . ?
C27 C26 H26B 106.8 . . ?
H26A C26 H26B 106.7 . . ?
C22 C27 C26 118(2) . . ?
C22 C27 C286 122(3) . . ?
C26 C27 C286 119(3) . . ?
O5 C28 C29 118.8(13) . . ?
O5 C28 C33 121.1(13) . . ?
C29 C28 C33 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 C286 120.8(15) . . ?
C30 C29 C286 119.2(15) . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H33A 120.0 . . ?
C29 C30 H33A 120.0 . . ?
C30 C31 C32 120.0 . . ?
C30 C31 C190 121.3(17) . . ?
C32 C31 C190 118.4(17) . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32A 120.0 . . ?
C31 C32 H32A 120.0 . . ?
C32 C33 C28 120.0 . . ?
C32 C33 C34 119.1(15) . . ?
C28 C33 C34 120.9(15) . . ?
C33 C34 C36 113.7(14) . . ?
C33 C34 H34A 108.8 . . ?
C36 C34 H34A 108.8 . . ?
C33 C34 H34B 108.8 . . ?
C36 C34 H34B 108.8 . . ?
H34A C34 H34B 107.7 . . ?
O6 C35 C40 121.0(19) . . ?
O6 C35 C36 119.2(19) . . ?
C40 C35 C36 119.7(17) . . ?
C37 C36 C35 118.4(18) . . ?
C37 C36 C34 117(2) . . ?
C35 C36 C34 124(2) . . ?
C38 C37 C36 124.4(17) . . ?
C38 C37 H37A 117.8 . . ?
C36 C37 H37A 117.8 . . ?
C37 C38 C39 115.9(16) . . ?
C37 C38 C191 126(2) . . ?
C39 C38 C191 118(2) . . ?
C38 C39 C40 122.7(16) . . ?
C38 C39 H39A 118.7 . . ?
C40 C39 H39A 118.7 . . ?
C35 C40 C39 118.9(17) . . ?
C35 C40 C41 121.8(18) . . ?
C39 C40 C41 119.1(19) . . ?
C43 C41 C40 110.8(13) . . ?
C43 C41 H41A 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C43 C41 H41B 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 108.1 . . ?
C47 C42 C43 121.0(15) . . ?
C47 C42 O7 121.2(17) . . ?
C43 C42 O7 117.6(18) . . ?
C42 C43 C44 118.2(15) . . ?
C42 C43 C41 123.4(17) . . ?
C44 C43 C41 118.4(18) . . ?
C45 C44 C43 123.5(14) . . ?
C45 C44 H44A 118.2 . . ?
C43 C44 H44A 118.2 . . ?
C44 C45 C46 116.1(14) . . ?
C44 C45 C192 126.7(17) . . ?
C46 C45 C192 117.1(16) . . ?
C45 C46 C47 122.6(14) . . ?
C45 C46 H46A 118.7 . . ?
C47 C46 H46A 118.7 . . ?
C42 C47 C46 118.4(15) . . ?
C42 C47 C48 123.6(17) . . ?
C46 C47 C48 117.9(16) . . ?
C50 C48 C47 110.8(12) . . ?
C50 C48 H48A 109.5 . . ?
C47 C48 H48A 109.5 . . ?
C50 C48 H48B 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 108.1 . . ?
O8 C49 C54 121.6(16) . . ?
O8 C49 C50 119.6(15) . . ?
C54 C49 C50 118.7(16) . . ?
C51 C50 C49 118.3(16) . . ?
C51 C50 C48 116.8(16) . . ?
C49 C50 C48 124.9(15) . . ?
C50 C51 C52 124.4(16) . . ?
C50 C51 H51A 117.8 . . ?
C52 C51 H51A 117.8 . . ?
C53 C52 C51 116.9(17) . . ?
C53 C52 C193 120(2) . . ?
C51 C52 C193 122.6(18) . . ?
C52 C53 C54 119.9(17) . . ?
C52 C53 H53A 120.1 . . ?
C54 C53 H53A 120.1 . . ?
C49 C54 C53 121.7(16) . . ?
C49 C54 C55 121.8(15) . . ?
C53 C54 C55 116.4(15) . . ?
C2 C55 C54 112.9(13) . . ?
C2 C55 H55A 109.0 . . ?
C54 C55 H55A 109.0 . . ?
C2 C55 H55B 109.0 . . ?
C54 C55 H55B 109.0 . . ?
H55A C55 H55B 107.8 . . ?
C61 C56 O9 121.1(15) . . ?
C61 C56 C57 120.4(15) . . ?
O9 C56 C57 118.5(16) . . ?
C58 C57 C56 119.5(15) . . ?
C58 C57 C111 116.0(16) . . ?
C56 C57 C111 124.5(16) . . ?
C57 C58 C59 121.8(14) . . ?
C57 C58 H58A 119.1 . . ?
C59 C58 H58A 119.1 . . ?
C60 C59 C58 116.2(14) . . ?
C60 C59 C195 125.8(18) . . ?
C58 C59 C195 117.9(17) . . ?
C59 C60 C61 123.3(15) . . ?
C59 C60 H60A 118.3 . . ?
C61 C60 H60A 118.3 . . ?
C56 C61 C60 118.8(16) . . ?
C56 C61 C62 124.5(16) . . ?
C60 C61 C62 116.6(16) . . ?
C61 C62 C64 118.0(14) . . ?
C61 C62 H62A 107.8 . . ?
C64 C62 H62A 107.8 . . ?
C61 C62 H62B 107.8 . . ?
C64 C62 H62B 107.8 . . ?
H62A C62 H62B 107.2 . . ?
C64 C63 O10 122.7(16) . . ?
C64 C63 C68 120.9(17) . . ?
O10 C63 C68 116.3(17) . . ?
C63 C64 C65 119.1(17) . . ?
C63 C64 C62 121.2(16) . . ?
C65 C64 C62 119.6(16) . . ?
C66 C65 C64 122.0(18) . . ?
C66 C65 H65A 119.0 . . ?
C64 C65 H65A 119.0 . . ?
C65 C66 C67 118.8(15) . . ?
C65 C66 C196 120.7(19) . . ?
C67 C66 C196 120.5(19) . . ?
C66 C67 C68 119.9(17) . . ?
C66 C67 H67A 120.0 . . ?
C68 C67 H67A 120.0 . . ?
C67 C68 C63 119.2(17) . . ?
C67 C68 C69 118.9(18) . . ?
C63 C68 C69 121.9(17) . . ?
C71 C69 C68 115.8(15) . . ?
C71 C69 H69A 108.3 . . ?
C68 C69 H69A 108.3 . . ?
C71 C69 H69B 108.3 . . ?
C68 C69 H69B 108.3 . . ?
H69A C69 H69B 107.4 . . ?
O11 C70 C75 119.1(18) . . ?
O11 C70 C71 120.1(17) . . ?
C75 C70 C71 120.7(19) . . ?
C72 C71 C70 118.7(18) . . ?
C72 C71 C69 121.0(19) . . ?
C70 C71 C69 120.3(18) . . ?
C71 C72 C73 120.6(19) . . ?
C71 C72 H72A 119.7 . . ?
C73 C72 H72A 119.7 . . ?
C74 C73 C72 118.1(17) . . ?
C74 C73 C197 126(2) . . ?
C72 C73 C197 116(2) . . ?
C75 C74 C73 122.8(19) . . ?
C75 C74 H74A 118.6 . . ?
C73 C74 H74A 118.6 . . ?
C74 C75 C70 119(2) . . ?
C74 C75 C76 117(2) . . ?
C70 C75 C76 124.2(19) . . ?
C75 C76 C78 115.6(16) . . ?
C75 C76 H76A 108.4 . . ?
C78 C76 H76A 108.4 . . ?
C75 C76 H76B 108.4 . . ?
C78 C76 H76B 108.4 . . ?
H76A C76 H76B 107.4 . . ?
O12 C77 C78 122(2) . . ?
O12 C77 C82 119(2) . . ?
C78 C77 C82 119(2) . . ?
C79 C78 C77 119(2) . . ?
C79 C78 C76 121(2) . . ?
C77 C78 C76 120(2) . . ?
C80 C79 C78 121.9(19) . . ?
C80 C79 H79A 119.0 . . ?
C78 C79 H79A 119.0 . . ?
C81 C80 C79 118.7(19) . . ?
C81 C80 C198 123(2) . . ?
C79 C80 C198 118(2) . . ?
C80 C81 C82 122.3(19) . . ?
C80 C81 H81A 118.9 . . ?
C82 C81 H81A 118.9 . . ?
C81 C82 C77 119(2) . . ?
C81 C82 C83 121(2) . . ?
C77 C82 C83 120(2) . . ?
C82 C83 C85 110.0(16) . . ?
C82 C83 H83A 109.7 . . ?
C85 C83 H83A 109.7 . . ?
C82 C83 H83B 109.7 . . ?
C85 C83 H83B 109.7 . . ?
H83A C83 H83B 108.2 . . ?
O13 C84 C89 118.6(19) . . ?
O13 C84 C85 120(2) . . ?
C89 C84 C85 121(2) . . ?
C86 C85 C84 116(2) . . ?
C86 C85 C83 123(2) . . ?
C84 C85 C83 121(2) . . ?
C87 C86 C85 125(2) . . ?
C87 C86 H86A 117.4 . . ?
C85 C86 H86A 117.4 . . ?
C86 C87 C88 115.2(17) . . ?
C86 C87 C199 121(2) . . ?
C88 C87 C199 123(2) . . ?
C89 C88 C87 122.7(19) . . ?
C89 C88 H88A 118.6 . . ?
C87 C88 H88A 118.6 . . ?
C84 C89 C88 119.5(19) . . ?
C84 C89 C90 123.7(19) . . ?
C88 C89 C90 116.9(19) . . ?
C92 C90 C89 116.2(15) . . ?
C92 C90 H90A 121.9 . . ?
C89 C90 H90A 121.9 . . ?
O14 C91 C96 119.1(17) . . ?
O14 C91 C92 121.2(17) . . ?
C96 C91 C92 119.7(18) . . ?
C93 C92 C91 116.1(19) . . ?
C93 C92 C90 124(2) . . ?
C91 C92 C90 120.2(18) . . ?
C94 C93 C92 124.5(19) . . ?
C94 C93 H93A 117.7 . . ?
C92 C93 H93A 117.7 . . ?
C93 C94 C95 119.6(17) . . ?
C93 C94 C200 121(2) . . ?
C95 C94 C200 120(2) . . ?
C94 C95 C96 119.3(19) . . ?
C94 C95 H95A 120.4 . . ?
C96 C95 H95A 120.4 . . ?
C91 C96 C95 120.8(19) . . ?
C91 C96 C97 124.1(18) . . ?
C95 C96 C97 115(2) . . ?
C96 C97 C99 114.3(15) . . ?
C96 C97 H97A 108.7 . . ?
C99 C97 H97A 108.7 . . ?
C96 C97 H97B 108.7 . . ?
C99 C97 H97B 108.7 . . ?
H97A C97 H97B 107.6 . . ?
O15 C98 C103 123.1(16) . . ?
O15 C98 C99 118.9(16) . . ?
C103 C98 C99 117.9(18) . . ?
C100 C99 C98 118.4(18) . . ?
C100 C99 C97 119.1(19) . . ?
C98 C99 C97 122.2(16) . . ?
C101 C100 C99 124(2) . . ?
C101 C100 H10A 106.4 . . ?
C99 C100 H10A 106.4 . . ?
C101 C100 H10B 106.4 . . ?
C99 C100 H10B 106.4 . . ?
H10A C100 H10B 106.5 . . ?
C102 C101 C100 116.4(19) . . ?
C102 C101 C201 121(2) . . ?
C100 C101 C201 122(2) . . ?
C101 C102 C103 122.3(18) . . ?
C101 C102 H10C 118.8 . . ?
C103 C102 H10C 118.8 . . ?
C102 C103 C98 121.1(17) . . ?
C102 C103 C104 118.0(17) . . ?
C98 C103 C104 120.7(16) . . ?
C103 C104 C106 111.3(13) . . ?
C103 C104 H10D 109.4 . . ?
C106 C104 H10D 109.4 . . ?
C103 C104 H10E 109.4 . . ?
C106 C104 H10E 109.4 . . ?
H10D C104 H10E 108.0 . . ?
O16 C105 C110 121.0(16) . . ?
O16 C105 C106 120.9(15) . . ?
C110 C105 C106 118.0(16) . . ?
C107 C106 C105 120.6(16) . . ?
C107 C106 C104 117.2(17) . . ?
C105 C106 C104 122.1(16) . . ?
C108 C107 C106 122.3(17) . . ?
C108 C107 H10F 118.9 . . ?
C106 C107 H10F 118.9 . . ?
C107 C108 C109 118.5(15) . . ?
C107 C108 C202 123.7(18) . . ?
C109 C108 C202 117.7(18) . . ?
C108 C109 C110 121.2(16) . . ?
C108 C109 H10G 119.4 . . ?
C110 C109 H10G 119.4 . . ?
C105 C110 C109 119.4(16) . . ?
C105 C110 C111 123.6(15) . . ?
C109 C110 C111 117.0(15) . . ?
C110 C111 C57 112.3(13) . . ?
C110 C111 H11A 109.1 . . ?
C57 C111 H11A 109.1 . . ?
C110 C111 H11B 109.1 . . ?
C57 C111 H11B 109.1 . . ?
H11A C111 H11B 107.9 . . ?
O17 C112 C117 121.0(16) . . ?
O17 C112 C113 121.5(15) . . ?
C117 C112 C113 117.5(17) . . ?
C114 C113 C112 120.6(16) . . ?
C114 C113 C186 117.2(17) . . ?
C112 C113 C186 122.1(16) . . ?
C113 C114 C115 121.9(18) . . ?
C113 C114 H11C 119.1 . . ?
C115 C114 H11C 119.1 . . ?
C116 C115 C114 117.8(19) . . ?
C116 C115 C213 121(2) . . ?
C114 C115 C213 121(2) . . ?
C115 C116 C117 121.9(18) . . ?
C115 C116 H11D 119.1 . . ?
C117 C116 H11D 119.1 . . ?
C116 C117 C112 120.3(17) . . ?
C116 C117 C118 116.6(17) . . ?
C112 C117 C118 123.1(16) . . ?
C117 C118 C120 117.8(15) . . ?
C117 C118 H11E 107.9 . . ?
C120 C118 H11E 107.9 . . ?
C117 C118 H11F 107.9 . . ?
C120 C118 H11F 107.9 . . ?
H11E C118 H11F 107.2 . . ?
O18 C119 C120 121.4(18) . . ?
O18 C119 C124 118.2(17) . . ?
C120 C119 C124 120.3(19) . . ?
C119 C120 C121 120.1(18) . . ?
C119 C120 C118 121.6(17) . . ?
C121 C120 C118 118.1(17) . . ?
C122 C121 C120 119.7(19) . . ?
C122 C121 H12B 107.4 . . ?
C120 C121 H12B 107.4 . . ?
C122 C121 H12C 107.4 . . ?
C120 C121 H12C 107.4 . . ?
H12B C121 H12C 106.9 . . ?
C123 C122 C121 119.4(17) . . ?
C123 C122 C204 121(2) . . ?
C121 C122 C204 120(2) . . ?
C122 C123 C124 121.9(19) . . ?
C122 C123 H12D 119.1 . . ?
C124 C123 H12D 119.1 . . ?
C123 C124 C119 118(2) . . ?
C123 C124 C125 120.5(19) . . ?
C119 C124 C125 120.7(17) . . ?
C127 C125 C124 114.9(17) . . ?
C127 C125 H12E 108.5 . . ?
C124 C125 H12E 108.5 . . ?
C127 C125 H12F 108.5 . . ?
C124 C125 H12F 108.5 . . ?
H12E C125 H12F 107.5 . . ?
O19 C126 C127 120.5(19) . . ?
O19 C126 C130 120(2) . . ?
C127 C126 C130 120(2) . . ?
C126 C127 C128 118(2) . . ?
C126 C127 C125 119(2) . . ?
C128 C127 C125 122(2) . . ?
C129 C128 C127 121(3) . . ?
C129 C128 H12G 119.6 . . ?
C127 C128 H12G 119.6 . . ?
C153 C129 C128 117(2) . . ?
C153 C129 C205 120(3) . . ?
C128 C129 C205 122(3) . . ?
C153 C130 C126 116(2) . . ?
C153 C130 C131 123(2) . . ?
C126 C130 C131 122(2) . . ?
C130 C131 C132 114(2) . . ?
C130 C131 H13A 108.8 . . ?
C132 C131 H13A 108.8 . . ?
C130 C131 H13B 108.8 . . ?
C132 C131 H13B 108.8 . . ?
H13A C131 H13B 107.7 . . ?
C154 C132 C155 122(3) . . ?
C154 C132 C131 124(3) . . ?
C155 C132 C131 114(3) . . ?
C165 C133 C134 113.7(16) . . ?
C165 C133 H13C 108.8 . . ?
C134 C133 H13C 108.8 . . ?
C165 C133 H13D 108.8 . . ?
C134 C133 H13D 108.8 . . ?
H13C C133 H13D 107.7 . . ?
C185 C134 C135 120(2) . . ?
C185 C134 C133 120(2) . . ?
C135 C134 C133 120(2) . . ?
C136 C135 C134 124(2) . . ?
C136 C135 H13E 118.2 . . ?
C134 C135 H13E 118.2 . . ?
C137 C136 C135 115.4(18) . . ?
C137 C136 C206 124(3) . . ?
C135 C136 C206 120(2) . . ?
C136 C137 C138 124(2) . . ?
C136 C137 H13F 117.8 . . ?
C138 C137 H13F 117.8 . . ?
C185 C138 C137 120(2) . . ?
C185 C138 C139 122.9(19) . . ?
C137 C138 C139 117(2) . . ?
C141 C139 C138 112.3(15) . . ?
C141 C139 H13G 109.1 . . ?
C138 C139 H13G 109.1 . . ?
C141 C139 H13H 109.1 . . ?
C138 C139 H13H 109.1 . . ?
H13G C139 H13H 107.9 . . ?
O20 C140 C145 122.0(18) . . ?
O20 C140 C141 119.6(18) . . ?
C145 C140 C141 118.4(19) . . ?
C142 C141 C140 118.5(19) . . ?
C142 C141 C139 120.0(19) . . ?
C140 C141 C139 121.5(17) . . ?
C143 C142 C141 124.0(19) . . ?
C143 C142 H14C 118.0 . . ?
C141 C142 H14C 118.0 . . ?
C142 C143 C144 115.0(16) . . ?
C142 C143 C207 127(2) . . ?
C144 C143 C207 118(2) . . ?
C145 C144 C143 124.9(19) . . ?
C145 C144 H14D 117.6 . . ?
C143 C144 H14D 117.6 . . ?
C144 C145 C140 119.2(19) . . ?
C144 C145 C146 118(2) . . ?
C140 C145 C146 122.2(17) . . ?
C145 C146 C148 110.8(14) . . ?
C145 C146 H14E 109.5 . . ?
C148 C146 H14E 109.5 . . ?
C145 C146 H14F 109.5 . . ?
C148 C146 H14F 109.5 . . ?
H14E C146 H14F 108.1 . . ?
C152 C147 O21 120.8(19) . . ?
C152 C147 C148 120.9(17) . . ?
O21 C147 C148 118.3(19) . . ?
C149 C148 C147 116.4(17) . . ?
C149 C148 C146 119.8(18) . . ?
C147 C148 C146 123.8(18) . . ?
C148 C149 C150 124.4(17) . . ?
C148 C149 H14G 117.8 . . ?
C150 C149 H14G 117.8 . . ?
C151 C150 C149 117.1(15) . . ?
C151 C150 C203 121(2) . . ?
C149 C150 C203 122(2) . . ?
C150 C151 C152 122.5(16) . . ?
C150 C151 H15A 118.7 . . ?
C152 C151 H15A 118.7 . . ?
C151 C152 C147 118.6(17) . . ?
C151 C152 C186 119.5(18) . . ?
C147 C152 C186 121.8(19) . . ?
C129 C153 C130 128(3) . . ?
C129 C153 H15B 116.1 . . ?
C130 C153 H15B 116.1 . . ?
C132 C154 C158 119(3) . . ?
C132 C154 O40 120(3) . . ?
C158 C154 O40 121(2) . . ?
C132 C155 C156 117(3) . . ?
C132 C155 H15C 121.5 . . ?
C156 C155 H15C 121.5 . . ?
C157 C156 C155 118(3) . . ?
C157 C156 C211 129(3) . . ?
C155 C156 C211 113(3) . . ?
C156 C157 C158 120(3) . . ?
C156 C157 H15D 119.8 . . ?
C158 C157 H15D 119.8 . . ?
C154 C158 C157 124(3) . . ?
C154 C158 C159 121(3) . . ?
C157 C158 C159 115(3) . . ?
C161 C159 C158 116(2) . . ?
C161 C159 H15E 108.2 . . ?
C158 C159 H15E 108.2 . . ?
C161 C159 H15F 108.2 . . ?
C158 C159 H15F 108.2 . . ?
H15E C159 H15F 107.3 . . ?
O41 C160 C161 118.8(13) . . ?
O41 C160 C165 121.1(13) . . ?
C161 C160 C165 120.0 . . ?
C162 C161 C160 120.0 . . ?
C162 C161 C159 117.8(15) . . ?
C160 C161 C159 122.1(15) . . ?
C161 C162 C163 120.0 . . ?
C161 C162 H16A 120.0 . . ?
C163 C162 H16A 120.0 . . ?
C164 C163 C162 120.0 . . ?
C164 C163 C212 127.8(17) . . ?
C162 C163 C212 112.0(17) . . ?
C165 C164 C163 120.0 . . ?
C165 C164 H16B 120.0 . . ?
C163 C164 H16B 120.0 . . ?
C164 C165 C160 120.0 . . ?
C164 C165 C133 120.6(13) . . ?
C160 C165 C133 119.3(13) . . ?
O25 C166 O27 121.1(18) . . ?
O25 C166 O26 120.4(18) . . ?
O27 C166 O26 118.5(18) . . ?
O24 C167 H16C 109.5 . . ?
O24 C167 H16D 109.5 . . ?
H16C C167 H16D 109.5 . . ?
O24 C167 H16E 109.5 . . ?
H16C C167 H16E 109.5 . . ?
H16D C167 H16E 109.5 . . ?
O22 C168 H16F 109.5 . . ?
O22 C168 H16G 109.5 . . ?
H16F C168 H16G 109.5 . . ?
O22 C168 H16H 109.5 . . ?
H16F C168 H16H 109.5 . . ?
H16G C168 H16H 109.5 . . ?
O23 C169 H16I 109.5 . . ?
O23 C169 H16J 109.5 . . ?
H16I C169 H16J 109.5 . . ?
O23 C169 H16K 109.5 . . ?
H16I C169 H16K 109.5 . . ?
H16J C169 H16K 109.5 . . ?
O33 C170 H17C 109.5 . . ?
O33 C170 H17D 109.5 . . ?
H17C C170 H17D 109.5 . . ?
O33 C170 H17E 109.5 . . ?
H17C C170 H17E 109.5 . . ?
H17D C170 H17E 109.5 . . ?
O28 C171 H17F 109.5 . . ?
O28 C171 H17G 109.5 . . ?
H17F C171 H17G 109.5 . . ?
O28 C171 H17H 109.5 . . ?
H17F C171 H17H 109.5 . . ?
H17G C171 H17H 109.5 . . ?
O29 C172 O30 122(2) . . ?
O29 C172 C173 119(2) . . ?
O30 C172 C173 119(2) . . ?
O29 C172 Eu3 64.4(13) . . ?
O30 C172 Eu3 57.9(12) . . ?
C173 C172 Eu3 171.9(15) . . ?
C172 C173 H17I 109.5 . . ?
C172 C173 H17J 109.5 . . ?
H17I C173 H17J 109.5 . . ?
C172 C173 H17K 109.5 . . ?
H17I C173 H17K 109.5 . . ?
H17J C173 H17K 109.5 . . ?
O39 C174 H17L 109.5 . . ?
O39 C174 H17M 109.5 . . ?
H17L C174 H17M 109.5 . . ?
O39 C174 H17N 109.5 . . ?
H17L C174 H17N 109.5 . . ?
H17M C174 H17N 109.5 . . ?
O38 C175 H17O 109.5 . . ?
O38 C175 H17P 109.5 . . ?
H17O C175 H17P 109.5 . . ?
O38 C175 H17Q 109.5 . . ?
H17O C175 H17Q 109.5 . . ?
H17P C175 H17Q 109.5 . . ?
O37 C176 N1 128(2) . . ?
O37 C176 H17R 116.1 . . ?
N1 C176 H17R 116.1 . . ?
N1 C177 H17S 109.5 . . ?
N1 C177 H17T 109.5 . . ?
H17S C177 H17T 109.5 . . ?
N1 C177 H17U 109.5 . . ?
H17S C177 H17U 109.5 . . ?
H17T C177 H17U 109.5 . . ?
N1 C178 H17V 109.5 . . ?
N1 C178 H17W 109.5 . . ?
H17V C178 H17W 109.5 . . ?
N1 C178 H17X 109.5 . . ?
H17V C178 H17X 109.5 . . ?
H17W C178 H17X 109.5 . . ?
O34 C182 N2 124(2) . . ?
O34 C182 H18C 117.8 . . ?
N2 C182 H18C 117.8 . . ?
O42 C185 C138 121.1(18) . . ?
O42 C185 C134 122(2) . . ?
C138 C185 C134 117(2) . . ?
C113 C186 C152 112.2(14) . . ?
C113 C186 H18A 109.2 . . ?
C152 C186 H18A 109.2 . . ?
C113 C186 H18B 109.2 . . ?
C152 C186 H18B 109.2 . . ?
H18A C186 H18B 107.9 . . ?
C217 C187 C219 109.1(16) . . ?
C217 C187 C218 109.2(18) . . ?
C219 C187 C218 105.2(15) . . ?
C217 C187 C11 110.6(14) . . ?
C219 C187 C11 111.8(15) . . ?
C218 C187 C11 110.8(15) . . ?
C221 C188 C222 114(2) . . ?
C221 C188 C220 105(2) . . ?
C222 C188 C220 102(2) . . ?
C221 C188 C18 113.7(18) . . ?
C222 C188 C18 113.7(18) . . ?
C220 C188 C18 106.9(17) . . ?
C25 C189 C285 114(2) . . ?
C25 C189 C223 111(2) . . ?
C285 C189 C223 101(3) . . ?
C25 C189 C284 110(2) . . ?
C285 C189 C284 122(3) . . ?
C223 C189 C284 96(3) . . ?
C225 C190 C224 101(2) . . ?
C225 C190 C226 121(3) . . ?
C224 C190 C226 95(3) . . ?
C225 C190 C31 107(2) . . ?
C224 C190 C31 113(2) . . ?
C226 C190 C31 117(2) . . ?
C228 C191 C229 106(2) . . ?
C228 C191 C227 105(2) . . ?
C229 C191 C227 111(2) . . ?
C228 C191 C38 112.9(16) . . ?
C229 C191 C38 109.4(18) . . ?
C227 C191 C38 112.0(18) . . ?
C232 C192 C231 109.3(13) . . ?
C232 C192 C230 110.0(13) . . ?
C231 C192 C230 109.4(12) . . ?
C232 C192 C45 110.6(13) . . ?
C231 C192 C45 108.8(12) . . ?
C230 C192 C45 108.7(12) . . ?
C234 C193 C233 107.1(18) . . ?
C234 C193 C235 109.6(18) . . ?
C233 C193 C235 109(2) . . ?
C234 C193 C52 114.3(17) . . ?
C233 C193 C52 106.1(16) . . ?
C235 C193 C52 110.1(16) . . ?
C15' C194 C216 113(4) . . ?
C15' C194 C4 125(3) . . ?
C216 C194 C4 108.9(19) . . ?
C216 C194 C214 127(3) . . ?
C4 C194 C214 112(2) . . ?
C216 C194 C215 97(3) . . ?
C4 C194 C215 107(2) . . ?
C214 C194 C215 102(4) . . ?
C15' C194 C14' 109(4) . . ?
C216 C194 C14' 93(3) . . ?
C4 C194 C14' 102(2) . . ?
C236 C195 C237 108.3(15) . . ?
C236 C195 C238 109.7(15) . . ?
C237 C195 C238 105.9(14) . . ?
C236 C195 C59 111.3(13) . . ?
C237 C195 C59 111.8(14) . . ?
C238 C195 C59 109.7(13) . . ?
C240 C196 C239 109.1(18) . . ?
C240 C196 C66 114.4(17) . . ?
C239 C196 C66 108.8(16) . . ?
C240 C196 C241 105.0(19) . . ?
C239 C196 C241 109.7(19) . . ?
C66 C196 C241 109.8(16) . . ?
C244 C197 C242 113(2) . . ?
C244 C197 C243 104(2) . . ?
C242 C197 C243 106(2) . . ?
C244 C197 C73 113(2) . . ?
C242 C197 C73 111(2) . . ?
C243 C197 C73 110(2) . . ?
C245 C198 C246 114(2) . . ?
C245 C198 C247 108(2) . . ?
C246 C198 C247 102(2) . . ?
C245 C198 C80 112(2) . . ?
C246 C198 C80 110(2) . . ?
C247 C198 C80 109(2) . . ?
C249 C199 C248 110(2) . . ?
C249 C199 C87 107.9(17) . . ?
C248 C199 C87 114(2) . . ?
C249 C199 C250 107(2) . . ?
C248 C199 C250 110(2) . . ?
C87 C199 C250 108.1(19) . . ?
C253 C200 C251 99(2) . . ?
C253 C200 C252 109(2) . . ?
C251 C200 C252 114(2) . . ?
C253 C200 C94 109.7(17) . . ?
C251 C200 C94 112.4(19) . . ?
C252 C200 C94 112.0(17) . . ?
C254 C201 C101 116(2) . . ?
C254 C201 C255 96(3) . . ?
C101 C201 C255 109(2) . . ?
C254 C201 C256 125(3) . . ?
C101 C201 C256 106(2) . . ?
C255 C201 C256 102(3) . . ?
C108 C202 C257 115(2) . . ?
C108 C202 C259 117.1(19) . . ?
C257 C202 C259 115(2) . . ?
C108 C202 C258 105(2) . . ?
C257 C202 C258 97(3) . . ?
C259 C202 C258 103(2) . . ?
C275 C203 C276 107(2) . . ?
C275 C203 C150 108.0(18) . . ?
C276 C203 C150 114.3(18) . . ?
C275 C203 C274 110(2) . . ?
C276 C203 C274 107(2) . . ?
C150 C203 C274 110.2(18) . . ?
C265 C204 C263 104(2) . . ?
C265 C204 C122 111.3(17) . . ?
C263 C204 C122 107.3(18) . . ?
C265 C204 C264 105(2) . . ?
C263 C204 C264 115(2) . . ?
C122 C204 C264 114(2) . . ?
C267 C205 C277 123(3) . . ?
C267 C205 C266 108(3) . . ?
C277 C205 C266 95(3) . . ?
C267 C205 C129 110(2) . . ?
C277 C205 C129 109(3) . . ?
C266 C205 C129 110(2) . . ?
C270 C206 C271 109(3) . . ?
C270 C206 C82' 127(3) . . ?
C271 C206 C82' 86(3) . . ?
C270 C206 C282 79(3) . . ?
C271 C206 C282 136(3) . . ?
C270 C206 C136 107.1(19) . . ?
C271 C206 C136 110(2) . . ?
C82' C206 C136 115(2) . . ?
C282 C206 C136 108(3) . . ?
C283 C207 C272 113(2) . . ?
C283 C207 C143 110(2) . . ?
C272 C207 C143 114(2) . . ?
C283 C207 C273 107(2) . . ?
C272 C207 C273 100(2) . . ?
C143 C207 C273 113(2) . . ?
O32 C209 O31 120.8(19) . . ?
O32 C209 C210 121(2) . . ?
O31 C209 C210 118(2) . . ?
O32 C209 Eu5 57.5(10) . . ?
O31 C209 Eu5 63.4(10) . . ?
C210 C209 Eu5 175.7(15) . . ?
C209 C210 H21C 109.5 . . ?
C209 C210 H21D 109.5 . . ?
H21C C210 H21D 109.5 . . ?
C209 C210 H21E 109.5 . . ?
H21C C210 H21E 109.5 . . ?
H21D C210 H21E 109.5 . . ?
C278 C211 C269 103(3) . . ?
C278 C211 C268 101(4) . . ?
C269 C211 C268 109(3) . . ?
C278 C211 C156 114(3) . . ?
C269 C211 C156 112(3) . . ?
C268 C211 C156 116(3) . . ?
C279 C212 C280 129(3) . . ?
C279 C212 C281 102(3) . . ?
C280 C212 C281 75(3) . . ?
C279 C212 C80' 106(3) . . ?
C281 C212 C80' 123(3) . . ?
C279 C212 C163 116(2) . . ?
C280 C212 C163 114(3) . . ?
C281 C212 C163 103(2) . . ?
C80' C212 C163 109(3) . . ?
C262 C213 C260 115(3) . . ?
C262 C213 C115 115(3) . . ?
C260 C213 C115 114(3) . . ?
C262 C213 C261 108(3) . . ?
C260 C213 C261 102(3) . . ?
C115 C213 C261 101(3) . . ?
C194 C214 H21F 109.5 . . ?
C194 C214 H21G 109.5 . . ?
H21F C214 H21G 109.5 . . ?
C194 C214 H21H 109.5 . . ?
H21F C214 H21H 109.5 . . ?
H21G C214 H21H 109.5 . . ?
C194 C215 H21I 109.5 . . ?
C194 C215 H21J 109.5 . . ?
H21I C215 H21J 109.5 . . ?
C194 C215 H21K 109.5 . . ?
H21I C215 H21K 109.5 . . ?
H21J C215 H21K 109.5 . . ?
C194 C15' H15G 109.5 . . ?
C194 C15' H15H 109.5 . . ?
H15G C15' H15H 109.5 . . ?
C194 C15' H15I 109.5 . . ?
H15G C15' H15I 109.5 . . ?
H15H C15' H15I 109.5 . . ?
C194 C14' H14H 109.5 . . ?
C194 C14' H14I 109.5 . . ?
H14H C14' H14I 109.5 . . ?
C194 C14' H14J 109.5 . . ?
H14H C14' H14J 109.5 . . ?
H14I C14' H14J 109.5 . . ?
C194 C216 H21L 109.5 . . ?
C194 C216 H21M 109.5 . . ?
H21L C216 H21M 109.5 . . ?
C194 C216 H21N 109.5 . . ?
H21L C216 H21N 109.5 . . ?
H21M C216 H21N 109.5 . . ?
C187 C217 H21O 109.5 . . ?
C187 C217 H21P 109.5 . . ?
H21O C217 H21P 109.5 . . ?
C187 C217 H21Q 109.5 . . ?
H21O C217 H21Q 109.5 . . ?
H21P C217 H21Q 109.5 . . ?
C187 C218 H21R 109.5 . . ?
C187 C218 H21S 109.5 . . ?
H21R C218 H21S 109.5 . . ?
C187 C218 H21T 109.5 . . ?
H21R C218 H21T 109.5 . . ?
H21S C218 H21T 109.5 . . ?
C187 C219 H21U 109.5 . . ?
C187 C219 H21V 109.5 . . ?
H21U C219 H21V 109.5 . . ?
C187 C219 H21W 109.5 . . ?
H21U C219 H21W 109.5 . . ?
H21V C219 H21W 109.5 . . ?
C188 C220 H22A 109.5 . . ?
C188 C220 H22B 109.5 . . ?
H22A C220 H22B 109.5 . . ?
C188 C220 H22C 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
C188 C221 H22D 109.5 . . ?
C188 C221 H22E 109.5 . . ?
H22D C221 H22E 109.5 . . ?
C188 C221 H22F 109.5 . . ?
H22D C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
C188 C222 H22G 109.5 . . ?
C188 C222 H22H 109.5 . . ?
H22G C222 H22H 109.5 . . ?
C188 C222 H22I 109.5 . . ?
H22G C222 H22I 109.5 . . ?
H22H C222 H22I 109.5 . . ?
C189 C223 H22J 109.5 . . ?
C189 C223 H22K 109.5 . . ?
H22J C223 H22K 109.5 . . ?
C189 C223 H22L 109.5 . . ?
H22J C223 H22L 109.5 . . ?
H22K C223 H22L 109.5 . . ?
C190 C224 H22M 109.5 . . ?
C190 C224 H22N 109.5 . . ?
H22M C224 H22N 109.5 . . ?
C190 C224 H22O 109.5 . . ?
H22M C224 H22O 109.5 . . ?
H22N C224 H22O 109.5 . . ?
C190 C225 H22P 109.5 . . ?
C190 C225 H22Q 109.5 . . ?
H22P C225 H22Q 109.5 . . ?
C190 C225 H22R 109.5 . . ?
H22P C225 H22R 109.5 . . ?
H22Q C225 H22R 109.5 . . ?
C190 C226 H22S 109.5 . . ?
C190 C226 H22T 109.5 . . ?
H22S C226 H22T 109.5 . . ?
C190 C226 H22U 109.5 . . ?
H22S C226 H22U 109.5 . . ?
H22T C226 H22U 109.5 . . ?
C191 C227 H22V 109.5 . . ?
C191 C227 H22W 109.5 . . ?
H22V C227 H22W 109.5 . . ?
C191 C227 H22X 109.5 . . ?
H22V C227 H22X 109.5 . . ?
H22W C227 H22X 109.5 . . ?
C191 C228 H22Y 109.5 . . ?
C191 C228 H22Z 109.5 . . ?
H22Y C228 H22Z 109.5 . . ?
C191 C228 H23A 109.5 . . ?
H22Y C228 H23A 109.5 . . ?
H22Z C228 H23A 109.5 . . ?
C191 C229 H23B 109.5 . . ?
C191 C229 H23C 109.5 . . ?
H23B C229 H23C 109.5 . . ?
C191 C229 H23D 109.5 . . ?
H23B C229 H23D 109.5 . . ?
H23C C229 H23D 109.5 . . ?
C192 C230 H23E 109.5 . . ?
C192 C230 H23F 109.5 . . ?
H23E C230 H23F 109.5 . . ?
C192 C230 H23G 109.5 . . ?
H23E C230 H23G 109.5 . . ?
H23F C230 H23G 109.5 . . ?
C192 C231 H23H 109.5 . . ?
C192 C231 H23I 109.5 . . ?
H23H C231 H23I 109.5 . . ?
C192 C231 H23J 109.5 . . ?
H23H C231 H23J 109.5 . . ?
H23I C231 H23J 109.5 . . ?
C192 C232 H23K 109.5 . . ?
C192 C232 H23L 109.5 . . ?
H23K C232 H23L 109.5 . . ?
C192 C232 H23M 109.5 . . ?
H23K C232 H23M 109.5 . . ?
H23L C232 H23M 109.5 . . ?
C193 C233 H23N 109.5 . . ?
C193 C233 H23O 109.5 . . ?
H23N C233 H23O 109.5 . . ?
C193 C233 H23P 109.5 . . ?
H23N C233 H23P 109.5 . . ?
H23O C233 H23P 109.5 . . ?
C193 C234 H23Q 109.5 . . ?
C193 C234 H23R 109.5 . . ?
H23Q C234 H23R 109.5 . . ?
C193 C234 H23S 109.5 . . ?
H23Q C234 H23S 109.5 . . ?
H23R C234 H23S 109.5 . . ?
C193 C235 H23T 109.5 . . ?
C193 C235 H23U 109.5 . . ?
H23T C235 H23U 109.5 . . ?
C193 C235 H23V 109.5 . . ?
H23T C235 H23V 109.5 . . ?
H23U C235 H23V 109.5 . . ?
C195 C236 H23W 109.5 . . ?
C195 C236 H23X 109.5 . . ?
H23W C236 H23X 109.5 . . ?
C195 C236 H23Y 109.5 . . ?
H23W C236 H23Y 109.5 . . ?
H23X C236 H23Y 109.5 . . ?
C195 C237 H23Z 109.5 . . ?
C195 C237 H24B 109.5 . . ?
H23Z C237 H24B 109.5 . . ?
C195 C237 H24C 109.5 . . ?
H23Z C237 H24C 109.5 . . ?
H24B C237 H24C 109.5 . . ?
C195 C238 H24D 109.5 . . ?
C195 C238 H24E 109.5 . . ?
H24D C238 H24E 109.5 . . ?
C195 C238 H24F 109.5 . . ?
H24D C238 H24F 109.5 . . ?
H24E C238 H24F 109.5 . . ?
C196 C239 H24G 109.5 . . ?
C196 C239 H24H 109.5 . . ?
H24G C239 H24H 109.5 . . ?
C196 C239 H24I 109.5 . . ?
H24G C239 H24I 109.5 . . ?
H24H C239 H24I 109.5 . . ?
C196 C240 H24J 109.5 . . ?
C196 C240 H24K 109.5 . . ?
H24J C240 H24K 109.5 . . ?
C196 C240 H24L 109.5 . . ?
H24J C240 H24L 109.5 . . ?
H24K C240 H24L 109.5 . . ?
C196 C241 H24M 109.5 . . ?
C196 C241 H24N 109.5 . . ?
H24M C241 H24N 109.5 . . ?
C196 C241 H24O 109.5 . . ?
H24M C241 H24O 109.5 . . ?
H24N C241 H24O 109.5 . . ?
C197 C242 H24P 109.5 . . ?
C197 C242 H24Q 109.5 . . ?
H24P C242 H24Q 109.5 . . ?
C197 C242 H24R 109.5 . . ?
H24P C242 H24R 109.5 . . ?
H24Q C242 H24R 109.5 . . ?
C197 C243 H24S 109.5 . . ?
C197 C243 H24T 109.5 . . ?
H24S C243 H24T 109.5 . . ?
C197 C243 H24U 109.5 . . ?
H24S C243 H24U 109.5 . . ?
H24T C243 H24U 109.5 . . ?
C197 C244 H24V 109.5 . . ?
C197 C244 H24W 109.5 . . ?
H24V C244 H24W 109.5 . . ?
C197 C244 H24X 109.5 . . ?
H24V C244 H24X 109.5 . . ?
H24W C244 H24X 109.5 . . ?
C198 C245 H24Y 109.5 . . ?
C198 C245 H24Z 109.5 . . ?
H24Y C245 H24Z 109.5 . . ?
C198 C245 H25A 109.5 . . ?
H24Y C245 H25A 109.5 . . ?
H24Z C245 H25A 109.5 . . ?
C198 C246 H25B 109.5 . . ?
C198 C246 H25C 109.5 . . ?
H25B C246 H25C 109.5 . . ?
C198 C246 H25D 109.5 . . ?
H25B C246 H25D 109.5 . . ?
H25C C246 H25D 109.5 . . ?
C198 C247 H25E 109.5 . . ?
C198 C247 H25F 109.5 . . ?
H25E C247 H25F 109.5 . . ?
C198 C247 H25G 109.5 . . ?
H25E C247 H25G 109.5 . . ?
H25F C247 H25G 109.5 . . ?
C199 C248 H25H 109.5 . . ?
C199 C248 H25I 109.5 . . ?
H25H C248 H25I 109.5 . . ?
C199 C248 H25J 109.5 . . ?
H25H C248 H25J 109.5 . . ?
H25I C248 H25J 109.5 . . ?
C199 C249 H25K 109.5 . . ?
C199 C249 H25L 109.5 . . ?
H25K C249 H25L 109.5 . . ?
C199 C249 H25M 109.5 . . ?
H25K C249 H25M 109.5 . . ?
H25L C249 H25M 109.5 . . ?
C199 C250 H25N 109.5 . . ?
C199 C250 H25O 109.5 . . ?
H25N C250 H25O 109.5 . . ?
C199 C250 H25P 109.5 . . ?
H25N C250 H25P 109.5 . . ?
H25O C250 H25P 109.5 . . ?
C200 C251 H25Q 109.5 . . ?
C200 C251 H25R 109.5 . . ?
H25Q C251 H25R 109.5 . . ?
C200 C251 H25S 109.5 . . ?
H25Q C251 H25S 109.5 . . ?
H25R C251 H25S 109.5 . . ?
C200 C252 H25T 109.5 . . ?
C200 C252 H25U 109.5 . . ?
H25T C252 H25U 109.5 . . ?
C200 C252 H25V 109.5 . . ?
H25T C252 H25V 109.5 . . ?
H25U C252 H25V 109.5 . . ?
C200 C253 H25W 109.5 . . ?
C200 C253 H25X 109.5 . . ?
H25W C253 H25X 109.5 . . ?
C200 C253 H25Y 109.5 . . ?
H25W C253 H25Y 109.5 . . ?
H25X C253 H25Y 109.5 . . ?
C201 C254 H25Z 109.5 . . ?
C201 C254 H26C 109.5 . . ?
H25Z C254 H26C 109.5 . . ?
C201 C254 H26D 109.5 . . ?
H25Z C254 H26D 109.5 . . ?
H26C C254 H26D 109.5 . . ?
C201 C255 H26E 109.5 . . ?
C201 C255 H26F 109.5 . . ?
H26E C255 H26F 109.5 . . ?
C201 C255 H26G 109.5 . . ?
H26E C255 H26G 109.5 . . ?
H26F C255 H26G 109.5 . . ?
C201 C256 H26H 109.5 . . ?
C201 C256 H26I 109.5 . . ?
H26H C256 H26I 109.5 . . ?
C201 C256 H26J 109.5 . . ?
H26H C256 H26J 109.5 . . ?
H26I C256 H26J 109.5 . . ?
C202 C257 H26K 109.5 . . ?
C202 C257 H26L 109.5 . . ?
H26K C257 H26L 109.5 . . ?
C202 C257 H26M 109.5 . . ?
H26K C257 H26M 109.5 . . ?
H26L C257 H26M 109.5 . . ?
C202 C258 H25$ 109.5 . . ?
C202 C258 H32 109.5 . . ?
H25$ C258 H32 109.5 . . ?
C202 C258 H30A 109.5 . . ?
H25$ C258 H30A 109.5 . . ?
H32 C258 H30A 109.5 . . ?
C202 C259 H30$ 109.5 . . ?
C202 C259 H35 109.5 . . ?
H30$ C259 H35 109.5 . . ?
C202 C259 H30B 109.5 . . ?
H30$ C259 H30B 109.5 . . ?
H35 C259 H30B 109.5 . . ?
C213 C260 H26R 109.5 . . ?
C213 C260 H26S 109.5 . . ?
H26R C260 H26S 109.5 . . ?
C213 C260 H26T 109.5 . . ?
H26R C260 H26T 109.5 . . ?
H26S C260 H26T 109.5 . . ?
C213 C261 H26U 109.5 . . ?
C213 C261 H26V 109.5 . . ?
H26U C261 H26V 109.5 . . ?
C213 C261 H26W 109.5 . . ?
H26U C261 H26W 109.5 . . ?
H26V C261 H26W 109.5 . . ?
C213 C262 H26X 109.5 . . ?
C213 C262 H26Y 109.5 . . ?
H26X C262 H26Y 109.5 . . ?
C213 C262 H26Z 109.5 . . ?
H26X C262 H26Z 109.5 . . ?
H26Y C262 H26Z 109.5 . . ?
C204 C263 H27A 109.5 . . ?
C204 C263 H27B 109.5 . . ?
H27A C263 H27B 109.5 . . ?
C204 C263 H27C 109.5 . . ?
H27A C263 H27C 109.5 . . ?
H27B C263 H27C 109.5 . . ?
C204 C264 H27D 109.5 . . ?
C204 C264 H27E 109.5 . . ?
H27D C264 H27E 109.5 . . ?
C204 C264 H27F 109.5 . . ?
H27D C264 H27F 109.5 . . ?
H27E C264 H27F 109.5 . . ?
C204 C265 H27G 109.5 . . ?
C204 C265 H27H 109.5 . . ?
H27G C265 H27H 109.5 . . ?
C204 C265 H27I 109.5 . . ?
H27G C265 H27I 109.5 . . ?
H27H C265 H27I 109.5 . . ?
C205 C266 H27J 109.5 . . ?
C205 C266 H27K 109.5 . . ?
H27J C266 H27K 109.5 . . ?
C205 C266 H27L 109.5 . . ?
H27J C266 H27L 109.5 . . ?
H27K C266 H27L 109.5 . . ?
C205 C267 H27M 109.5 . . ?
C205 C267 H27N 109.5 . . ?
H27M C267 H27N 109.5 . . ?
C205 C267 H27O 109.5 . . ?
H27M C267 H27O 109.5 . . ?
H27N C267 H27O 109.5 . . ?
C211 C268 H27P 109.5 . . ?
C211 C268 H27Q 109.5 . . ?
H27P C268 H27Q 109.5 . . ?
C211 C268 H27R 109.5 . . ?
H27P C268 H27R 109.5 . . ?
H27Q C268 H27R 109.5 . . ?
C211 C269 H27S 109.5 . . ?
C211 C269 H27T 109.5 . . ?
H27S C269 H27T 109.5 . . ?
C211 C269 H27U 109.5 . . ?
H27S C269 H27U 109.5 . . ?
H27T C269 H27U 109.5 . . ?
C206 C270 C282 50.6(16) . . ?
C206 C270 H27V 109.5 . . ?
C282 C270 H27V 72.2 . . ?
C206 C270 H27W 109.5 . . ?
C282 C270 H27W 156.2 . . ?
H27V C270 H27W 109.5 . . ?
C206 C270 H27$ 109.5 . . ?
C282 C270 H27$ 91.5 . . ?
H27V C270 H27$ 109.5 . . ?
H27W C270 H27$ 109.5 . . ?
C206 C271 H27X 109.5 . . ?
C206 C271 H27Y 109.5 . . ?
H27X C271 H27Y 109.5 . . ?
C206 C271 H27Z 109.5 . . ?
H27X C271 H27Z 109.5 . . ?
H27Y C271 H27Z 109.5 . . ?
C207 C272 H40A 109.5 . . ?
C207 C272 H28B 109.5 . . ?
H40A C272 H28B 109.5 . . ?
C207 C272 H28C 109.5 . . ?
H40A C272 H28C 109.5 . . ?
H28B C272 H28C 109.5 . . ?
C207 C273 H28D 109.5 . . ?
C207 C273 H28E 109.5 . . ?
H28D C273 H28E 109.5 . . ?
C207 C273 H28F 109.5 . . ?
H28D C273 H28F 109.5 . . ?
H28E C273 H28F 109.5 . . ?
C203 C274 H28G 109.5 . . ?
C203 C274 H28H 109.5 . . ?
H28G C274 H28H 109.5 . . ?
C203 C274 H28I 109.5 . . ?
H28G C274 H28I 109.5 . . ?
H28H C274 H28I 109.5 . . ?
C203 C275 H28J 109.5 . . ?
C203 C275 H28K 109.5 . . ?
H28J C275 H28K 109.5 . . ?
C203 C275 H28L 109.5 . . ?
H28J C275 H28L 109.5 . . ?
H28K C275 H28L 109.5 . . ?
C203 C276 H28M 109.5 . . ?
C203 C276 H28N 109.5 . . ?
H28M C276 H28N 109.5 . . ?
C203 C276 H28O 109.5 . . ?
H28M C276 H28O 109.5 . . ?
H28N C276 H28O 109.5 . . ?
C205 C277 H28P 109.5 . . ?
C205 C277 H28Q 109.5 . . ?
H28P C277 H28Q 109.5 . . ?
C205 C277 H28R 109.5 . . ?
H28P C277 H28R 109.5 . . ?
H28Q C277 H28R 109.5 . . ?
C211 C278 H28S 109.5 . . ?
C211 C278 H28T 109.5 . . ?
H28S C278 H28T 109.5 . . ?
C211 C278 H28U 109.5 . . ?
H28S C278 H28U 109.5 . . ?
H28T C278 H28U 109.5 . . ?
C212 C279 H28V 109.5 . . ?
C212 C279 H28W 109.5 . . ?
H28V C279 H28W 109.5 . . ?
C212 C279 H28X 109.5 . . ?
H28V C279 H28X 109.5 . . ?
H28W C279 H28X 109.5 . . ?
C212 C280 H45$ 109.5 . . ?
C212 C280 H50 109.5 . . ?
H45$ C280 H50 109.5 . . ?
C212 C280 H50A 109.5 . . ?
H45$ C280 H50A 109.5 . . ?
H50 C280 H50A 109.5 . . ?
C212 C80' H80A 109.5 . . ?
C212 C80' H80B 109.5 . . ?
H80A C80' H80B 109.5 . . ?
C212 C80' H80C 109.5 . . ?
H80A C80' H80C 109.5 . . ?
H80B C80' H80C 109.5 . . ?
C212 C281 H70$ 109.5 . . ?
C212 C281 H60 109.5 . . ?
H70$ C281 H60 109.5 . . ?
C212 C281 H28A 109.5 . . ?
H70$ C281 H28A 109.5 . . ?
H60 C281 H28A 109.5 . . ?
C206 C282 C270 50.4(16) . . ?
C206 C282 H28$ 109.5 . . ?
C270 C282 H28$ 159.8 . . ?
C206 C282 H99 109.5 . . ?
C270 C282 H99 81.4 . . ?
H28$ C282 H99 109.5 . . ?
C206 C282 H31A 109.5 . . ?
C270 C282 H31A 81.4 . . ?
H28$ C282 H31A 109.5 . . ?
H99 C282 H31A 109.5 . . ?
C206 C82' H82A 109.5 . . ?
C206 C82' H82B 109.5 . . ?
H82A C82' H82B 109.5 . . ?
C206 C82' H82C 109.5 . . ?
H82A C82' H82C 109.5 . . ?
H82B C82' H82C 109.5 . . ?
C207 C283 H29E 109.5 . . ?
C207 C283 H29F 109.5 . . ?
H29E C283 H29F 109.5 . . ?
C207 C283 H29G 109.5 . . ?
H29E C283 H29G 109.5 . . ?
H29F C283 H29G 109.5 . . ?
C189 C284 H29H 109.5 . . ?
C189 C284 H29I 109.5 . . ?
H29H C284 H29I 109.5 . . ?
C189 C284 H29J 109.5 . . ?
H29H C284 H29J 109.5 . . ?
H29I C284 H29J 109.5 . . ?
C189 C285 H29K 109.5 . . ?
C189 C285 H29L 109.5 . . ?
H29K C285 H29L 109.5 . . ?
C189 C285 H29M 109.5 . . ?
H29K C285 H29M 109.5 . . ?
H29L C285 H29M 109.5 . . ?
C11 C10 C9 122.8(17) . . ?
C11 C10 H10H 118.6 . . ?
C9 C10 H10H 118.6 . . ?
C29 C286 C27 113.9(17) . . ?
C29 C286 H29N 108.8 . . ?
C27 C286 H29N 108.8 . . ?
C29 C286 H29O 108.8 . . ?
C27 C286 H29O 108.8 . . ?
H29N C286 H29O 107.7 . . ?
N2 C288 H29P 109.5 . . ?
N2 C288 H29Q 109.5 . . ?
H29P C288 H29Q 109.5 . . ?
N2 C288 H29R 109.5 . . ?
H29P C288 H29R 109.5 . . ?
H29Q C288 H29R 109.5 . . ?
N2 C287 H29S 109.5 . . ?
N2 C287 H29T 109.5 . . ?
H29S C287 H29T 109.5 . . ?
N2 C287 H29U 109.5 . . ?
H29S C287 H29U 109.5 . . ?
H29T C287 H29U 109.5 . . ?
O44 C291 N3 129(3) . . ?
N3 C290 H29A 109.5 . . ?
N3 C290 H29B 109.5 . . ?
H29A C290 H29B 109.5 . . ?
N3 C290 H29C 109.5 . . ?
H29A C290 H29C 109.5 . . ?
H29B C290 H29C 109.5 . . ?
N5 C296 H29V 109.5 . . ?
N5 C296 H29W 109.5 . . ?
H29V C296 H29W 109.5 . . ?
N5 C296 H29X 109.5 . . ?
H29V C296 H29X 109.5 . . ?
H29W C296 H29X 109.5 . . ?
N5 C297 H29Y 109.5 . . ?
N5 C297 H29Z 109.5 . . ?
H29Y C297 H29Z 109.5 . . ?
N5 C297 H2:A 109.5 . . ?
H29Y C297 H2:A 109.5 . . ?
H29Z C297 H2:A 109.5 . . ?
O35 C295 N5 126(2) . . ?
N4 C294 H2:B 109.5 . . ?
N4 C294 H2:C 109.5 . . ?
H2:B C294 H2:C 109.5 . . ?
N4 C294 H2:D 109.5 . . ?
H2:B C294 H2:D 109.5 . . ?
H2:C C294 H2:D 109.5 . . ?
N6 C298 O36 117(3) . . ?
O43 C292 N4 136(4) . . ?
O43 C292 Eu3 24(2) . . ?
N4 C292 Eu3 156(2) . . ?
N6 C299 C307 44.6(12) . . ?
C303 C302 N7 117(3) . . ?
C303 C302 H30C 108.1 . . ?
N7 C302 H30C 108.1 . . ?
C303 C302 H30D 108.1 . . ?
N7 C302 H30D 108.1 . . ?
H30C C302 H30D 107.3 . . ?
C305 C301 N7 119(3) . . ?
C305 C301 H30E 107.5 . . ?
N7 C301 H30E 107.5 . . ?
C305 C301 H30F 107.5 . . ?
N7 C301 H30F 107.5 . . ?
H30E C301 H30F 107.0 . . ?
C302 C303 H30G 109.5 . . ?
C302 C303 H30H 109.5 . . ?
H30G C303 H30H 109.5 . . ?
C302 C303 H30I 109.5 . . ?
H30G C303 H30I 109.5 . . ?
H30H C303 H30I 109.5 . . ?
C301 C305 H30J 109.5 . . ?
C301 C305 H30K 109.5 . . ?
H30J C305 H30K 109.5 . . ?
C301 C305 H30L 109.5 . . ?
H30J C305 H30L 109.5 . . ?
H30K C305 H30L 109.5 . . ?
N6 C307 C299 42.4(13) . . ?
N7 C308 C309 104(3) . . ?

_refine_diff_density_max         1.989
_refine_diff_density_min         -1.343
_refine_diff_density_rms         0.125

# start Validation Reply Form
_vrf_THETM01_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystal diffracted poorly at higher resolution. Even a large 
crystal did not diffract well.
;

_vrf_PLAT602_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info  
RESPONSE: It is a porous supramolecular structure.
;
_vrf_PLAT088_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: Poor Data / Parameter Ratio ....................       7.55 Note  
RESPONSE: The crystal diffracted poorly at higher resolution. Even a large 
crystal did not diffract well.
;
_vrf_PLAT201_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          1 Report
RESPONSE: It belongs to a methanol molecule.
;
_vrf_PLAT220_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: NonSolvent Resd 1  C   Ueq(max) / Ueq(min) Range       10.0 Ratio 
RESPONSE: It is due to the disorder.
;
_vrf_PLAT242_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        O45 Check 
RESPONSE: It is due to the disorder.
;
_vrf_PLAT306_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O46 Check 
RESPONSE: It is the disordered water molecule.
;
_vrf_PLAT315_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).       C289 Check 
RESPONSE: It belongs to the disordered butyl group.
;
_vrf_PLAT342_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.03682 Ang.  
RESPONSE: It is due to the disorder.
;
_vrf_PLAT430_f__Ln6Co6-data_hht22Eu_hht22 
;
PROBLEM: Short Inter D...A Contact  O5       ..O46      .       2.76 Ang.  
RESPONSE: It is due to the disorder.
;
# end Validation Reply Form



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

data_hht93Dy
_database_code_depnum_ccdc_archive 'CCDC 2013508'
loop_
_audit_author_name
_audit_author_address
'Wuping Liao'
;Changchun institute of applied chemistry, CAS
China
;
_audit_update_record             
;
2020-07-02 deposited with the CCDC.	2020-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            
;
{Dy6Co6(C88H104O8)3(CH3OH)5 (CH3O)3(CO3)
(C3H7ON)6(CH3COO)2} 3(H2O) (CH3OH) [(C2H5)3NH+]
;
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C302 H415 Co6 Dy6 N7 O49'
_chemical_formula_weight         6255.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 '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                   59.484(2)
_cell_length_b                   34.0418(9)
_cell_length_c                   42.7405(14)
_cell_angle_alpha                90
_cell_angle_beta                 125.888(3)
_cell_angle_gamma                90
_cell_volume                     70117(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    190(2)
_cell_measurement_reflns_used    9675
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      47.50

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_F_000             25808
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.364
_exptl_crystal_size_mid          0.217
_exptl_crystal_size_min          0.139
_exptl_absorpt_coefficient_mu    9.334
_shelx_estimated_absorpt_T_min   0.132
_shelx_estimated_absorpt_T_max   0.357
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.132
_exptl_absorpt_correction_T_max  0.274
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      190(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            324805
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_av_R_equivalents  0.0844
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.601
_diffrn_reflns_theta_max         47.500
_diffrn_reflns_theta_full        47.500
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             31891
_reflns_number_gt                27462
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1413P)²+1262.5394P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         31891
_refine_ls_number_parameters     3177
_refine_ls_number_restraints     468
_refine_ls_R_factor_all          0.0897
_refine_ls_R_factor_gt           0.0796
_refine_ls_wR_factor_ref         0.2302
_refine_ls_wR_factor_gt          0.2240
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.049
_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
Dy1 Dy 0.51173(2) 0.22685(2) 0.45515(2) 0.0329(2) Uani 1 1 d . . . . .
Dy2 Dy 0.60333(2) 0.31555(2) 0.70713(2) 0.0308(2) Uani 1 1 d . . . . .
Dy3 Dy 0.71651(2) 0.30889(2) 0.58125(2) 0.0385(2) Uani 1 1 d . . . . .
Dy4 Dy 0.66644(2) 0.37823(2) 0.56094(2) 0.0307(2) Uani 1 1 d . . . . .
Dy5 Dy 0.53402(2) 0.13036(2) 0.45288(2) 0.0433(2) Uani 1 1 d . . . . .
Dy6 Dy 0.64551(2) 0.23929(2) 0.77180(2) 0.0490(2) Uani 1 1 d . . . . .
Co1 Co 0.59940(3) 0.36400(5) 0.51559(5) 0.0323(5) Uani 1 1 d . . . . .
Co2 Co 0.62951(3) 0.39460(5) 0.59597(5) 0.0294(4) Uani 1 1 d . . . . .
Co3 Co 0.52574(3) 0.28646(5) 0.52607(5) 0.0301(4) Uani 1 1 d . . . . .
Co4 Co 0.60834(3) 0.36843(5) 0.64678(5) 0.0292(4) Uani 1 1 d . . . . .
Co5 Co 0.55725(3) 0.31866(5) 0.61250(5) 0.0295(4) Uani 1 1 d . . . . .
Co6 Co 0.54477(3) 0.31200(5) 0.47877(5) 0.0283(4) Uani 1 1 d . . . . .
O1 O 0.62930(15) 0.3020(2) 0.7712(2) 0.0361(19) Uani 1 1 d . . . . .
O2 O 0.66392(18) 0.2453(3) 0.8364(3) 0.059(3) Uani 1 1 d . . . . .
O3 O 0.6960(3) 0.2012(3) 0.8313(3) 0.094(4) Uani 1 1 d . . . . .
O4 O 0.6553(2) 0.1950(3) 0.7441(3) 0.062(3) Uani 1 1 d . . . . .
O5 O 0.60192(17) 0.2483(2) 0.7137(2) 0.043(2) Uani 1 1 d . . . . .
O6 O 0.55648(15) 0.3111(2) 0.65938(19) 0.0290(18) Uani 1 1 d . . . . .
O7 O 0.62091(14) 0.3745(2) 0.7031(2) 0.0324(19) Uani 1 1 d . . . . .
O8 O 0.64002(14) 0.3888(2) 0.6485(2) 0.0345(19) Uani 1 1 d . . . . .
O9 O 0.74978(16) 0.3246(2) 0.5671(2) 0.044(2) Uani 1 1 d . . . . .
O10 O 0.75097(19) 0.2532(3) 0.5783(3) 0.067(3) Uani 1 1 d . . . . .
O11 O 0.71522(16) 0.2554(2) 0.6088(3) 0.049(2) Uani 1 1 d . . . . .
O12 O 0.69922(15) 0.3692(2) 0.5502(2) 0.040(2) Uani 1 1 d . . . . .
O13 O 0.62475(14) 0.3820(2) 0.5003(2) 0.0314(18) Uani 1 1 d . . . . .
O14 O 0.60232(14) 0.4157(2) 0.54218(19) 0.0337(19) Uani 1 1 d . . . . .
O15 O 0.66351(14) 0.4190(2) 0.6027(2) 0.0317(18) Uani 1 1 d . . . . .
O16 O 0.70392(14) 0.3487(2) 0.6144(2) 0.038(2) Uani 1 1 d . . . . .
O17 O 0.51421(15) 0.3269(2) 0.4843(2) 0.0320(18) Uani 1 1 d . . . . .
O18 O 0.49428(15) 0.2476(2) 0.4885(2) 0.0352(19) Uani 1 1 d . . . . .
O19 O 0.49364(16) 0.1663(2) 0.4302(2) 0.040(2) Uani 1 1 d . . . . .
O20 O 0.50164(18) 0.0835(2) 0.4151(2) 0.053(2) Uani 1 1 d . . . . .
O21 O 0.57953(19) 0.1218(2) 0.4950(2) 0.054(2) Uani 1 1 d . . . . .
O22 O 0.53182(15) 0.2784(2) 0.5758(2) 0.037(2) Uani 1 1 d . . . . .
O23 O 0.57286(14) 0.3434(2) 0.5294(2) 0.0294(18) Uani 1 1 d . . . . .
O24 O 0.55890(14) 0.3249(2) 0.56479(18) 0.0273(17) Uani 1 1 d . . . . .
O25 O 0.59560(15) 0.3639(2) 0.5894(2) 0.0304(18) Uani 1 1 d . . . . .
O26 O 0.6232(2) 0.1891(3) 0.7792(3) 0.077(3) Uani 1 1 d . U . . .
O28 O 0.4672(2) 0.2431(4) 0.4033(3) 0.091(2) Uani 1 1 d . . . . .
O29 O 0.5422(2) 0.1192(2) 0.4073(3) 0.061(3) Uani 1 1 d . . . . .
O30 O 0.75781(18) 0.3210(3) 0.6413(2) 0.048(2) Uani 1 1 d . . . . .
O31 O 0.59994(14) 0.3103(2) 0.65062(19) 0.0297(18) Uani 1 1 d . . . . .
O32 O 0.63499(14) 0.34988(19) 0.56896(19) 0.0289(17) Uani 1 1 d . . . . .
O33 O 0.54738(14) 0.26142(19) 0.50716(19) 0.0293(18) Uani 1 1 d . . . . .
O34 O 0.66856(16) 0.3112(2) 0.5481(2) 0.040(2) Uani 1 1 d . . . . .
O35 O 0.69827(18) 0.2831(3) 0.5179(3) 0.063(3) Uani 1 1 d . . . . .
O36 O 0.5322(2) 0.1115(3) 0.5051(3) 0.064(3) Uani 1 1 d . . . . .
O37 O 0.53778(16) 0.1755(2) 0.5031(2) 0.041(2) Uani 1 1 d . . . . .
O38 O 0.68520(17) 0.2726(3) 0.7851(3) 0.062(3) Uani 1 1 d . . . . .
O39 O 0.64650(16) 0.2868(2) 0.7271(2) 0.040(2) Uani 1 1 d . U . . .
O40 O 0.54069(15) 0.1956(2) 0.4444(2) 0.0373(19) Uani 1 1 d . . . . .
O41 O 0.6697(2) 0.4412(3) 0.5425(3) 0.093(2) Uani 1 1 d . . . . .
O42 O 0.51795(14) 0.2814(2) 0.4288(2) 0.0320(19) Uani 1 1 d . . . . .
O43 O 0.6884(4) 0.2163(5) 0.7239(5) 0.155(6) Uiso 1 1 d . . . . .
O44 O 0.5999(3) 0.1263(4) 0.5714(4) 0.126(5) Uiso 1 1 d . . . . .
O46 O 0.58344(16) 0.3577(2) 0.7265(2) 0.041(2) Uani 1 1 d . . . . .
O47 O 0.5480(2) 0.0473(3) 0.4706(3) 0.077(3) Uani 1 1 d . . . . .
O48 O 0.56747(15) 0.3763(2) 0.6250(2) 0.0335(19) Uani 1 1 d . . . . .
O50 O 0.57393(14) 0.3280(2) 0.4734(2) 0.0330(19) Uani 1 1 d . . . . .
N1 N 0.6781(6) 0.1586(8) 0.6476(9) 0.216(6) Uani 1 1 d D . . . .
N2 N 0.6107(6) 0.1315(9) 0.7885(8) 0.201(7) Uani 1 1 d D . . . .
N3 N 0.5734(3) 0.4020(4) 0.7554(5) 0.102(3) Uani 1 1 d . . . . .
N4 N 0.4229(3) 0.2560(4) 0.3555(4) 0.091(2) Uani 1 1 d . . . . .
N5 N 0.5608(3) 0.1027(4) 0.3758(4) 0.081(4) Uani 1 1 d . . . . .
N6 N 0.6718(3) 0.4967(4) 0.5175(4) 0.093(2) Uani 1 1 d . . . . .
N7 N 0.8018(2) 0.3192(4) 0.6939(4) 0.063(3) Uani 1 1 d . . . . .
C1 C 0.6569(4) 0.2348(4) 0.8597(4) 0.058(4) Uani 1 1 d . . . . .
C2 C 0.6319(3) 0.2468(4) 0.8524(4) 0.056(4) Uani 1 1 d . . . . .
C3 C 0.6244(4) 0.2346(4) 0.8756(5) 0.074(5) Uani 1 1 d . . . . .
H3A H 0.606957 0.242631 0.869572 0.089 Uiso 1 1 calc R U . . .
C4 C 0.6415(5) 0.2108(5) 0.9078(5) 0.090(6) Uani 1 1 d D . . . .
C5 C 0.6671(6) 0.2000(5) 0.9158(5) 0.101(7) Uani 1 1 d . . . . .
H5A H 0.679428 0.184496 0.938020 0.122 Uiso 1 1 calc R U . . .
C6 C 0.6750(4) 0.2113(4) 0.8923(5) 0.078(5) Uani 1 1 d . . . . .
C11 C 0.6985(4) 0.1650(6) 0.8466(5) 0.092(6) Uani 1 1 d . . . . .
C12 C 0.7018(4) 0.1631(6) 0.8818(6) 0.107(7) Uani 1 1 d . . . . .
C13 C 0.7044(5) 0.1266(7) 0.8974(7) 0.124(7) Uani 1 1 d . U . . .
H13A H 0.706680 0.125180 0.921341 0.149 Uiso 1 1 calc R U . . .
C14 C 0.7038(5) 0.0908(7) 0.8797(7) 0.126(7) Uani 1 1 d D U . . .
C15 C 0.7007(7) 0.0946(6) 0.8450(8) 0.176(14) Uani 1 1 d . . . . .
H15A H 0.700552 0.071510 0.832296 0.211 Uiso 1 1 calc R U . . .
C16 C 0.6979(5) 0.1318(6) 0.8278(7) 0.122(8) Uani 1 1 d . . . . .
C21 C 0.6467(4) 0.1567(5) 0.7315(6) 0.090(2) Uani 1 1 d . . . . .
C22 C 0.6650(4) 0.1258(5) 0.7547(6) 0.090(2) Uani 1 1 d . U . . .
C23 C 0.6544(4) 0.0869(5) 0.7419(5) 0.090(2) Uani 1 1 d . . . . .
H23A H 0.666674 0.065596 0.755659 0.108 Uiso 1 1 calc R U . . .
C24 C 0.6275(4) 0.0780(4) 0.7111(5) 0.090(2) Uani 1 1 d D U . . .
C25 C 0.6132(4) 0.1087(5) 0.6903(5) 0.090(2) Uani 1 1 d . U . . .
H25A H 0.595592 0.103802 0.666761 0.108 Uiso 1 1 calc R U . . .
C26 C 0.6216(4) 0.1484(5) 0.6993(6) 0.090(2) Uani 1 1 d . . . . .
C27 C 0.6188(7) 0.0348(4) 0.7006(7) 0.155(11) Uani 1 1 d D . . . .
C28 C 0.6310(9) 0.0202(8) 0.6795(12) 0.26(2) Uani 1 1 d D . . . .
H28A H 0.623971 0.036461 0.656597 0.388 Uiso 1 1 calc R U . . .
H28B H 0.651277 0.022036 0.696820 0.388 Uiso 1 1 calc R U . . .
H28C H 0.625526 -0.007186 0.671665 0.388 Uiso 1 1 calc R U . . .
C29 C 0.5869(7) 0.0327(8) 0.6767(11) 0.27(2) Uani 1 1 d D . . . .
H29A H 0.578788 0.046588 0.652173 0.403 Uiso 1 1 calc R U . . .
H29B H 0.581055 0.005128 0.671486 0.403 Uiso 1 1 calc R U . . .
H29C H 0.580713 0.044951 0.691101 0.403 Uiso 1 1 calc R U . . .
C31 C 0.5792(3) 0.2236(3) 0.6956(3) 0.045(3) Uani 1 1 d . . . . .
C32 C 0.5570(3) 0.2305(3) 0.6965(4) 0.043(3) Uani 1 1 d . . . . .
C33 C 0.5350(3) 0.2043(4) 0.6784(4) 0.062(4) Uani 1 1 d . . . . .
H33A H 0.519980 0.209297 0.680004 0.074 Uiso 1 1 calc R U . . .
C34 C 0.5333(3) 0.1723(4) 0.6586(5) 0.075(5) Uani 1 1 d D . . . .
C35 C 0.5553(4) 0.1662(4) 0.6572(5) 0.074(5) Uani 1 1 d . . . . .
H35A H 0.554778 0.143954 0.643391 0.089 Uiso 1 1 calc R U . . .
C36 C 0.5788(3) 0.1908(4) 0.6752(4) 0.055(4) Uani 1 1 d . . . . .
C37 C 0.5087(4) 0.1436(6) 0.6393(7) 0.118(8) Uani 1 1 d D . . . .
C38 C 0.4820(4) 0.1633(9) 0.6291(12) 0.27(2) Uani 1 1 d D . . . .
H38A H 0.477019 0.184774 0.610837 0.405 Uiso 1 1 calc R U . . .
H38B H 0.466974 0.143972 0.617393 0.405 Uiso 1 1 calc R U . . .
H38C H 0.485037 0.173839 0.652655 0.405 Uiso 1 1 calc R U . . .
C39 C 0.4594(3) 0.3251(6) 0.6569(5) 0.091(6) Uani 1 1 d D . . . .
C40 C 0.5024(6) 0.1238(9) 0.6029(7) 0.181(11) Uani 1 1 d D U . . .
H40A H 0.498198 0.143848 0.583759 0.271 Uiso 1 1 calc R U . . .
H40B H 0.518591 0.108514 0.609410 0.271 Uiso 1 1 calc R U . . .
H40C H 0.486420 0.106237 0.592267 0.271 Uiso 1 1 calc R U . . .
C41 C 0.5333(3) 0.3134(3) 0.6583(4) 0.039(3) Uani 1 1 d . . . . .
C42 C 0.5318(2) 0.2935(3) 0.6856(3) 0.041(3) Uani 1 1 d . . . . .
C43 C 0.5072(3) 0.2968(4) 0.6841(4) 0.056(4) Uani 1 1 d . . . . .
H43A H 0.506134 0.282789 0.702514 0.068 Uiso 1 1 calc R U . . .
C44 C 0.4853(2) 0.3191(4) 0.6574(4) 0.058(4) Uani 1 1 d D . . . .
C45 C 0.4873(3) 0.3387(4) 0.6309(4) 0.052(4) Uani 1 1 d . . . . .
H45A H 0.472073 0.354147 0.611664 0.062 Uiso 1 1 calc R U . . .
C46 C 0.5108(3) 0.3367(3) 0.6310(3) 0.037(3) Uani 1 1 d . . . . .
C47 C 0.4545(5) 0.3681(7) 0.6606(7) 0.129(9) Uani 1 1 d . . . . .
H47A H 0.452746 0.383123 0.639657 0.193 Uiso 1 1 calc R U . . .
H47B H 0.437466 0.370731 0.658936 0.193 Uiso 1 1 calc R U . . .
H47C H 0.470248 0.378237 0.685518 0.193 Uiso 1 1 calc R U . . .
C48 C 0.4335(3) 0.3114(7) 0.6181(6) 0.133(9) Uani 1 1 d D . . . .
H48A H 0.435453 0.283640 0.614102 0.199 Uiso 1 1 calc R U . . .
H48B H 0.417119 0.314773 0.618113 0.199 Uiso 1 1 calc R U . . .
H48C H 0.431232 0.327094 0.597186 0.199 Uiso 1 1 calc R U . . .
C49 C 0.6132(3) 0.2741(4) 0.8191(4) 0.053(4) Uani 1 1 d . . . . .
H49A H 0.595651 0.277790 0.816350 0.063 Uiso 1 1 calc R U . . .
H49B H 0.608714 0.262113 0.794906 0.063 Uiso 1 1 calc R U . . .
C50 C 0.6269(3) 0.3144(3) 0.8248(4) 0.043(3) Uani 1 1 d . . . . .
C51 C 0.6353(2) 0.3249(3) 0.8007(3) 0.036(3) Uani 1 1 d . . . . .
C52 C 0.6493(3) 0.3616(4) 0.8085(4) 0.050(4) Uani 1 1 d . . . . .
C53 C 0.6539(3) 0.3851(4) 0.8384(4) 0.050(4) Uani 1 1 d . . . . .
H53A H 0.663281 0.409314 0.843285 0.060 Uiso 1 1 calc R U . . .
C54 C 0.6454(3) 0.3750(4) 0.8612(4) 0.059(4) Uani 1 1 d . . . . .
C55 C 0.6310(3) 0.3379(4) 0.8527(4) 0.053(4) Uani 1 1 d . . . . .
H55A H 0.624402 0.330189 0.867289 0.063 Uiso 1 1 calc R U . . .
C56 C 0.6513(4) 0.3998(5) 0.8944(5) 0.079(5) Uani 1 1 d . U . . .
C58 C 0.6612(3) 0.3729(4) 0.7867(4) 0.047(3) Uani 1 1 d . . . . .
H58A H 0.675080 0.357381 0.788056 0.056 Uiso 1 1 calc R U . . .
C59 C 0.6305(2) 0.4093(3) 0.7227(3) 0.033(3) Uani 1 1 d . . . . .
C60 C 0.6212(2) 0.4454(3) 0.7030(3) 0.036(3) Uani 1 1 d . . . . .
C61 C 0.6307(3) 0.4794(4) 0.7226(4) 0.061(4) Uani 1 1 d . . . . .
H61A H 0.623706 0.503462 0.708773 0.073 Uiso 1 1 calc R U . . .
C62 C 0.6510(4) 0.4806(4) 0.7633(5) 0.083(5) Uani 1 1 d D U . . .
C63 C 0.6602(4) 0.4449(4) 0.7811(4) 0.091(6) Uani 1 1 d . . . . .
H63A H 0.674485 0.444699 0.808067 0.109 Uiso 1 1 calc R U . . .
C64 C 0.6502(3) 0.4093(4) 0.7629(3) 0.046(3) Uani 1 1 d . . . . .
C65 C 0.6580(5) 0.5207(5) 0.7843(5) 0.131(8) Uani 1 1 d D U . . .
C66 C 0.6487(16) 0.521(2) 0.8112(19) 0.169(17) Uiso 0.44(4) 1 d D . P A 1
C66' C 0.6308(7) 0.5408(15) 0.7727(16) 0.169(17) Uiso 0.56(4) 1 d D . P A 2
C67 C 0.6640(5) 0.5514(5) 0.7640(6) 0.149(10) Uani 1 1 d D . . . .
H67A H 0.655212 0.543409 0.737157 0.224 Uiso 1 1 calc R U . . .
H67B H 0.656529 0.576887 0.764476 0.224 Uiso 1 1 calc R U . . .
H67C H 0.684084 0.553594 0.777337 0.224 Uiso 1 1 calc R U . . .
C68 C 0.5557(2) 0.4047(3) 0.6332(3) 0.031(3) Uani 1 1 d . . . . .
C69 C 0.5980(2) 0.4483(3) 0.6598(3) 0.034(3) Uani 1 1 d . . . . .
H69A H 0.597879 0.475069 0.650710 0.041 Uiso 1 1 calc R U . . .
H69B H 0.601853 0.429569 0.645700 0.041 Uiso 1 1 calc R U . . .
C70 C 0.5699(3) 0.4395(3) 0.6504(3) 0.038(3) Uani 1 1 d . . . . .
C71 C 0.5575(3) 0.4678(4) 0.6587(4) 0.052(4) Uani 1 1 d . . . . .
H71A H 0.567325 0.491540 0.670551 0.062 Uiso 1 1 calc R U . . .
C72 C 0.5315(3) 0.4635(3) 0.6507(4) 0.055(4) Uani 1 1 d D . . . .
C73 C 0.5176(3) 0.4289(4) 0.6319(4) 0.050(4) Uani 1 1 d . . . . .
H73A H 0.499303 0.425159 0.624759 0.059 Uiso 1 1 calc R U . . .
C74 C 0.5183(3) 0.4951(4) 0.6609(5) 0.082(5) Uani 1 1 d D . . . .
C75 C 0.5400(4) 0.5247(6) 0.6907(7) 0.149(9) Uani 1 1 d D U . . .
H75A H 0.530777 0.544288 0.696481 0.223 Uiso 1 1 calc R U . . .
H75B H 0.554041 0.510764 0.714498 0.223 Uiso 1 1 calc R U . . .
H75C H 0.548823 0.537829 0.680196 0.223 Uiso 1 1 calc R U . . .
C76 C 0.5031(5) 0.4762(6) 0.6765(7) 0.137(8) Uani 1 1 d D U . . .
H76A H 0.494827 0.496861 0.682774 0.206 Uiso 1 1 calc R U . . .
H76B H 0.488414 0.458757 0.656838 0.206 Uiso 1 1 calc R U . . .
H76C H 0.516319 0.461028 0.699821 0.206 Uiso 1 1 calc R U . . .
C7 C 0.5291(3) 0.3995(3) 0.6230(3) 0.037(3) Uani 1 1 d . . . . .
C77 C 0.4981(5) 0.5191(7) 0.6243(6) 0.183(13) Uani 1 1 d D . . . .
H77A H 0.489372 0.539517 0.630006 0.275 Uiso 1 1 calc R U . . .
H77B H 0.508299 0.531486 0.615354 0.275 Uiso 1 1 calc R U . . .
H77C H 0.483747 0.501772 0.604017 0.275 Uiso 1 1 calc R U . . .
C78 C 0.5115(2) 0.3628(3) 0.6036(3) 0.036(3) Uani 1 1 d . . . . .
H78A H 0.492360 0.370863 0.582649 0.044 Uiso 1 1 calc R U . . .
H78B H 0.519059 0.347919 0.591764 0.044 Uiso 1 1 calc R U . . .
C79 C 0.7036(3) 0.3892(4) 0.5261(4) 0.040(3) Uani 1 1 d . . . . .
C80 C 0.6835(2) 0.3898(4) 0.4870(4) 0.042(3) Uani 1 1 d . . . . .
C81 C 0.6891(3) 0.4108(4) 0.4645(4) 0.061(4) Uani 1 1 d . . . . .
H81A H 0.675173 0.412672 0.437496 0.073 Uiso 1 1 calc R U . . .
C82 C 0.7145(3) 0.4293(4) 0.4801(4) 0.060(4) Uani 1 1 d D U . . .
C83 C 0.7342(3) 0.4278(4) 0.5188(4) 0.050(4) Uani 1 1 d . . . . .
H83A H 0.751377 0.440789 0.529636 0.060 Uiso 1 1 calc R U . . .
C84 C 0.7295(2) 0.4072(4) 0.5433(4) 0.044(3) Uani 1 1 d . . . . .
C85 C 0.6957(4) 0.4780(6) 0.4251(6) 0.124(8) Uani 1 1 d D U . . .
H85A H 0.696165 0.500601 0.439671 0.186 Uiso 1 1 calc R U . . .
H85B H 0.677917 0.464263 0.412909 0.186 Uiso 1 1 calc R U . . .
H85C H 0.697746 0.487047 0.405152 0.186 Uiso 1 1 calc R U . . .
C86 C 0.7206(7) 0.4204(8) 0.4262(8) 0.130(11) Uani 0.77(3) 1 d D U P B 1
H86A H 0.704708 0.402477 0.414512 0.156 Uiso 0.77(3) 1 calc R U P B 1
H86B H 0.737861 0.405193 0.441528 0.156 Uiso 0.77(3) 1 calc R U P B 1
H86C H 0.720012 0.434593 0.405785 0.156 Uiso 0.77(3) 1 calc R U P B 1
C86' C 0.6972(12) 0.4372(13) 0.4105(10) 0.130(11) Uani 0.23(3) 1 d D U P B 2
H86D H 0.703046 0.412609 0.405199 0.156 Uiso 0.23(3) 1 calc R U P B 2
H86E H 0.695096 0.457650 0.392828 0.156 Uiso 0.23(3) 1 calc R U P B 2
H86F H 0.679510 0.433093 0.406769 0.156 Uiso 0.23(3) 1 calc R U P B 2
C87 C 0.7488(4) 0.4663(8) 0.4739(6) 0.163(10) Uani 1 1 d D U . . .
H87A H 0.762197 0.445856 0.490490 0.244 Uiso 1 1 calc R U . . .
H87B H 0.752214 0.474826 0.455090 0.244 Uiso 1 1 calc R U . . .
H87C H 0.750871 0.488748 0.489725 0.244 Uiso 1 1 calc R U . . .
C88 C 0.7516(3) 0.4054(4) 0.5866(4) 0.053(4) Uani 1 1 d . . . . .
H88A H 0.743424 0.393812 0.599066 0.064 Uiso 1 1 calc R U . . .
H88B H 0.757661 0.432451 0.596684 0.064 Uiso 1 1 calc R U . . .
C89 C 0.7744(3) 0.3423(4) 0.5863(4) 0.047(3) Uani 1 1 d . . . . .
C90 C 0.8033(3) 0.3980(5) 0.6217(4) 0.074(5) Uani 1 1 d . . . . .
H90A H 0.804995 0.424369 0.629994 0.088 Uiso 1 1 calc R U . . .
C91 C 0.7768(2) 0.3813(4) 0.5977(3) 0.048(4) Uani 1 1 d . . . . .
C92 C 0.8275(3) 0.3770(5) 0.6338(5) 0.071(4) Uani 1 1 d . U . . .
C93 C 0.8236(3) 0.3391(5) 0.6189(5) 0.073(5) Uani 1 1 d . . . . .
H93A H 0.839392 0.324835 0.624955 0.087 Uiso 1 1 calc R U . . .
C94 C 0.7988(2) 0.3217(4) 0.5966(4) 0.048(4) Uani 1 1 d . . . . .
C95 C 0.8561(3) 0.3961(6) 0.6615(5) 0.109(7) Uani 1 1 d D . . . .
C96 C 0.8594(5) 0.4296(7) 0.6404(7) 0.178(13) Uani 1 1 d D . . . .
H96A H 0.857744 0.419115 0.617794 0.266 Uiso 1 1 calc R U . . .
H96B H 0.844916 0.449299 0.632124 0.266 Uiso 1 1 calc R U . . .
H96C H 0.877691 0.441822 0.657922 0.266 Uiso 1 1 calc R U . . .
C97 C 0.8587(4) 0.4119(9) 0.6969(5) 0.160(12) Uani 1 1 d D . . . .
H97A H 0.856563 0.390254 0.710107 0.241 Uiso 1 1 calc R U . . .
H97B H 0.876963 0.424073 0.714610 0.241 Uiso 1 1 calc R U . . .
H97C H 0.844188 0.431551 0.688812 0.241 Uiso 1 1 calc R U . . .
C98 C 0.8795(4) 0.3663(7) 0.6747(8) 0.161(10) Uani 1 1 d D U . . .
H98A H 0.878005 0.355995 0.652082 0.242 Uiso 1 1 calc R U . . .
H98B H 0.897526 0.379175 0.692022 0.242 Uiso 1 1 calc R U . . .
H98C H 0.877885 0.344560 0.688302 0.242 Uiso 1 1 calc R U . . .
C99 C 0.7968(3) 0.2818(4) 0.5808(4) 0.060(4) Uani 1 1 d . . . . .
H99A H 0.779124 0.279886 0.554700 0.072 Uiso 1 1 calc R U . . .
H99B H 0.812094 0.278814 0.577881 0.072 Uiso 1 1 calc R U . . .
C100 C 0.7754(3) 0.2362(4) 0.6021(4) 0.055(4) Uani 1 1 d . . . . .
C101 C 0.8240(4) 0.2296(5) 0.6314(6) 0.086(6) Uani 1 1 d . . . . .
H10A H 0.839944 0.237927 0.633199 0.104 Uiso 1 1 calc R U . . .
C102 C 0.8265(3) 0.1994(6) 0.6547(5) 0.091(6) Uani 1 1 d D . . . .
C103 C 0.7983(3) 0.2486(4) 0.6047(4) 0.056(4) Uani 1 1 d . . . . .
C104 C 0.8022(3) 0.1857(5) 0.6485(6) 0.085(6) Uani 1 1 d . . . . .
H10B H 0.803199 0.163008 0.662172 0.102 Uiso 1 1 calc R U . . .
C105 C 0.7762(3) 0.2037(4) 0.6229(4) 0.060(4) Uani 1 1 d . . . . .
C106 C 0.8549(3) 0.1801(6) 0.6843(5) 0.106(6) Uani 1 1 d D U . . .
C107 C 0.8566(6) 0.1588(9) 0.7171(7) 0.186(11) Uani 1 1 d D U . . .
H10C H 0.852476 0.177264 0.730708 0.279 Uiso 1 1 calc R U . . .
H10D H 0.843130 0.137246 0.706500 0.279 Uiso 1 1 calc R U . . .
H10E H 0.875355 0.148176 0.735240 0.279 Uiso 1 1 calc R U . . .
C108 C 0.7516(3) 0.1910(4) 0.6221(4) 0.060(4) Uani 1 1 d . . . . .
H10F H 0.734319 0.196824 0.596421 0.071 Uiso 1 1 calc R U . . .
H10G H 0.752524 0.162212 0.626221 0.071 Uiso 1 1 calc R U . . .
C109 C 0.7329(3) 0.2416(4) 0.6453(5) 0.053(4) Uani 1 1 d . . . . .
C110 C 0.7511(3) 0.2115(4) 0.6527(5) 0.061(4) Uani 1 1 d . . . . .
C111 C 0.7707(4) 0.2004(5) 0.6916(6) 0.078(5) Uani 1 1 d . . . . .
H11A H 0.782719 0.179174 0.696542 0.094 Uiso 1 1 calc R U . . .
C112 C 0.7736(3) 0.2174(5) 0.7221(4) 0.083(5) Uani 1 1 d D . . . .
C113 C 0.7534(3) 0.2470(5) 0.7134(4) 0.075(5) Uani 1 1 d . . . . .
H11B H 0.753960 0.258902 0.733982 0.090 Uiso 1 1 calc R U . . .
C114 C 0.7333(3) 0.2587(4) 0.6759(4) 0.054(4) Uani 1 1 d . . . . .
C115 C 0.7963(3) 0.2097(6) 0.7653(4) 0.104(7) Uani 1 1 d D . . . .
C116 C 0.8157(6) 0.1760(8) 0.7719(8) 0.180(11) Uani 1 1 d D U . . .
H11C H 0.823763 0.181402 0.757890 0.271 Uiso 1 1 calc R U . . .
H11D H 0.830501 0.173564 0.799516 0.271 Uiso 1 1 calc R U . . .
H11E H 0.805089 0.151416 0.762358 0.271 Uiso 1 1 calc R U . . .
C117 C 0.8155(6) 0.2450(8) 0.7869(8) 0.29(3) Uani 1 1 d D . . . .
H11F H 0.804285 0.267806 0.783842 0.442 Uiso 1 1 calc R U . . .
H11G H 0.828496 0.238626 0.814392 0.442 Uiso 1 1 calc R U . . .
H11H H 0.825845 0.251102 0.776253 0.442 Uiso 1 1 calc R U . . .
C118 C 0.7842(5) 0.2000(8) 0.7876(6) 0.162(11) Uani 1 1 d D . . . .
H11I H 0.771669 0.221094 0.783902 0.243 Uiso 1 1 calc R U . . .
H11J H 0.773863 0.175203 0.777953 0.243 Uiso 1 1 calc R U . . .
H11K H 0.799275 0.197351 0.815111 0.243 Uiso 1 1 calc R U . . .
C119 C 0.7176(2) 0.3587(4) 0.6528(3) 0.039(3) Uani 1 1 d . . . . .
C120 C 0.7224(3) 0.3296(4) 0.6797(4) 0.050(4) Uani 1 1 d . . . . .
C121 C 0.7466(3) 0.3799(6) 0.7312(3) 0.063(4) Uani 1 1 d D . . . .
C122 C 0.7373(3) 0.3414(6) 0.7185(4) 0.070(5) Uani 1 1 d . . . . .
H12A H 0.741267 0.322194 0.737223 0.083 Uiso 1 1 calc R U . . .
C123 C 0.7412(3) 0.4066(5) 0.7046(4) 0.053(4) Uani 1 1 d . . . . .
H12B H 0.747405 0.432784 0.712645 0.064 Uiso 1 1 calc R U . . .
C124 C 0.7265(2) 0.3972(4) 0.6648(4) 0.043(3) Uani 1 1 d . . . . .
C125 C 0.7617(3) 0.3897(5) 0.7742(4) 0.098(6) Uani 1 1 d D . . . .
C126 C 0.7423(4) 0.4146(10) 0.7789(6) 0.216(19) Uani 1 1 d D . . . .
H12C H 0.725664 0.399287 0.770493 0.324 Uiso 1 1 calc R U . . .
H12D H 0.751919 0.421914 0.806084 0.324 Uiso 1 1 calc R U . . .
H12E H 0.736890 0.438351 0.763108 0.324 Uiso 1 1 calc R U . . .
C127 C 0.7876(3) 0.4137(7) 0.7874(5) 0.126(8) Uani 1 1 d D . . . .
H12F H 0.800070 0.397892 0.784437 0.190 Uiso 1 1 calc R U . . .
H12G H 0.782220 0.437476 0.771594 0.190 Uiso 1 1 calc R U . . .
H12H H 0.797249 0.421039 0.814571 0.190 Uiso 1 1 calc R U . . .
C128 C 0.7734(6) 0.3538(6) 0.8013(5) 0.178(13) Uani 1 1 d D . . . .
H12I H 0.758176 0.336469 0.795056 0.268 Uiso 1 1 calc R U . . .
H12J H 0.786221 0.339542 0.798035 0.268 Uiso 1 1 calc R U . . .
H12K H 0.783397 0.362695 0.828161 0.268 Uiso 1 1 calc R U . . .
C129 C 0.6742(3) 0.4543(4) 0.6179(4) 0.042(3) Uani 1 1 d . . . . .
C130 C 0.7030(3) 0.4617(4) 0.6349(4) 0.050(4) Uani 1 1 d . . . . .
C131 C 0.7132(3) 0.4991(5) 0.6474(5) 0.088(6) Uani 1 1 d . . . . .
H13B H 0.731878 0.504279 0.657066 0.106 Uiso 1 1 calc R U . . .
C132 C 0.6975(4) 0.5290(5) 0.6465(5) 0.086(5) Uani 1 1 d D U . . .
C133 C 0.6703(3) 0.5214(5) 0.6323(5) 0.085(6) Uani 1 1 d . . . . .
H13C H 0.659271 0.541510 0.632374 0.103 Uiso 1 1 calc R U . . .
C134 C 0.6589(3) 0.4846(4) 0.6178(4) 0.045(3) Uani 1 1 d . . . . .
C135 C 0.7094(6) 0.5708(6) 0.6603(9) 0.214(15) Uani 1 1 d D U . . .
C136 C 0.7078(10) 0.5743(14) 0.6950(13) 0.31(2) Uani 1 1 d D U . . .
H13D H 0.688330 0.575176 0.685650 0.467 Uiso 1 1 calc R U . . .
H13E H 0.716882 0.551484 0.712025 0.467 Uiso 1 1 calc R U . . .
H13F H 0.717219 0.598357 0.709457 0.467 Uiso 1 1 calc R U . . .
C137 C 0.6874(5) 0.6024(6) 0.6359(12) 0.26(2) Uani 1 1 d D . . . .
H13G H 0.668942 0.590448 0.621267 0.388 Uiso 1 1 calc R U . . .
H13H H 0.688585 0.622853 0.652955 0.388 Uiso 1 1 calc R U . . .
H13I H 0.690727 0.614122 0.617990 0.388 Uiso 1 1 calc R U . . .
C138 C 0.7412(6) 0.5706(11) 0.6886(10) 0.238(16) Uani 1 1 d D U . . .
H13J H 0.747625 0.543851 0.698326 0.357 Uiso 1 1 calc R U . . .
H13K H 0.749195 0.579489 0.675253 0.357 Uiso 1 1 calc R U . . .
H13L H 0.747053 0.588220 0.710218 0.357 Uiso 1 1 calc R U . . .
C139 C 0.6619(4) 0.4647(5) 0.5204(6) 0.093(2) Uani 1 1 d . . . . .
C140 C 0.7194(3) 0.4499(5) 0.4525(4) 0.105(7) Uani 1 1 d D . . . .
C141 C 0.4685(2) 0.2460(4) 0.4811(3) 0.038(3) Uani 1 1 d . . . . .
C142 C 0.4574(3) 0.2793(4) 0.4855(3) 0.041(3) Uani 1 1 d . . . . .
C143 C 0.4309(3) 0.2777(5) 0.4777(4) 0.064(4) Uani 1 1 d . . . . .
H14A H 0.423173 0.300870 0.480129 0.077 Uiso 1 1 calc R U . . .
C144 C 0.4157(3) 0.2426(6) 0.4664(5) 0.085(6) Uani 1 1 d D . . . .
C145 C 0.4278(3) 0.2115(5) 0.4639(5) 0.082(5) Uani 1 1 d . . . . .
H14B H 0.417992 0.187274 0.457287 0.098 Uiso 1 1 calc R U . . .
C146 C 0.4539(3) 0.2109(4) 0.4703(4) 0.050(4) Uani 1 1 d . . . . .
C147 C 0.3858(3) 0.2432(6) 0.4548(6) 0.126(7) Uani 1 1 d D U . . .
C148 C 0.3790(5) 0.2029(6) 0.4631(8) 0.158(9) Uani 1 1 d D U . . .
H14C H 0.394267 0.194391 0.489116 0.237 Uiso 1 1 calc R U . . .
H14D H 0.376518 0.183861 0.444122 0.237 Uiso 1 1 calc R U . . .
H14E H 0.361870 0.204601 0.461435 0.237 Uiso 1 1 calc R U . . .
C149 C 0.3670(8) 0.2695(14) 0.4191(11) 0.135(9) Uani 0.51(3) 1 d D U P C 1
H14F H 0.366170 0.258862 0.397193 0.162 Uiso 0.51(3) 1 calc R U P C 1
H14G H 0.374561 0.296183 0.424748 0.162 Uiso 0.51(3) 1 calc R U P C 1
H14H H 0.348257 0.270098 0.412809 0.162 Uiso 0.51(3) 1 calc R U P C 1
C150 C 0.3863(11) 0.2648(15) 0.4869(13) 0.135(9) Uani 0.51(3) 1 d D U P C 1
H50S H 0.388532 0.293024 0.485176 0.162 Uiso 0.51(3) 1 calc R U P C 1
H50T H 0.401923 0.255032 0.512175 0.162 Uiso 0.51(3) 1 calc R U P C 1
H50R H 0.368916 0.259909 0.483907 0.162 Uiso 0.51(3) 1 calc R U P C 1
C49' C 0.3650(8) 0.2319(17) 0.4120(8) 0.135(9) Uani 0.49(3) 1 d D U P C 2
H49C H 0.368825 0.205033 0.408031 0.162 Uiso 0.49(3) 1 calc R U P C 2
H49D H 0.366844 0.250055 0.395876 0.162 Uiso 0.49(3) 1 calc R U P C 2
H49E H 0.346047 0.233250 0.404849 0.162 Uiso 0.49(3) 1 calc R U P C 2
C50' C 0.3751(10) 0.2801(11) 0.4628(18) 0.135(9) Uani 0.49(3) 1 d D U P C 2
H50A H 0.382061 0.280474 0.490045 0.162 Uiso 0.49(3) 1 calc R U P C 2
H50B H 0.354742 0.279830 0.446476 0.162 Uiso 0.49(3) 1 calc R U P C 2
H50C H 0.381596 0.303538 0.457043 0.162 Uiso 0.49(3) 1 calc R U P C 2
C151 C 0.4648(3) 0.1724(4) 0.4656(4) 0.057(4) Uani 1 1 d . . . . .
H15E H 0.462387 0.151607 0.479552 0.068 Uiso 1 1 calc R U . . .
H15F H 0.484948 0.175449 0.478351 0.068 Uiso 1 1 calc R U . . .
C152 C 0.4664(3) 0.1560(3) 0.4091(4) 0.041(3) Uani 1 1 d . . . . .
C153 C 0.4514(3) 0.1583(3) 0.4242(4) 0.046(3) Uani 1 1 d . . . . .
C154 C 0.4229(3) 0.1472(4) 0.4013(4) 0.050(4) Uani 1 1 d . . . . .
H15G H 0.412559 0.149398 0.411757 0.060 Uiso 1 1 calc R U . . .
C155 C 0.4100(3) 0.1331(4) 0.3639(4) 0.056(4) Uani 1 1 d . . . . .
C156 C 0.4258(3) 0.1307(4) 0.3501(4) 0.056(4) Uani 1 1 d . . . . .
H15H H 0.417269 0.121278 0.324520 0.067 Uiso 1 1 calc R U . . .
C157 C 0.4533(3) 0.1411(3) 0.3714(4) 0.045(3) Uani 1 1 d . . . . .
C158 C 0.3790(2) 0.1219(3) 0.3402(3) 0.061(4) Uani 1 1 d D . . . .
C159 C 0.3745(4) 0.0911(6) 0.3621(5) 0.114(7) Uani 1 1 d D . . . .
H15I H 0.385509 0.067597 0.366326 0.171 Uiso 1 1 calc R U . . .
H15J H 0.380408 0.101876 0.387133 0.171 Uiso 1 1 calc R U . . .
H15K H 0.354834 0.084102 0.347032 0.171 Uiso 1 1 calc R U . . .
C160 C 0.3692(4) 0.1025(6) 0.3016(4) 0.103(6) Uani 1 1 d D . . . .
H16A H 0.380150 0.078647 0.306673 0.154 Uiso 1 1 calc R U . . .
H16B H 0.349571 0.095554 0.287369 0.154 Uiso 1 1 calc R U . . .
H16C H 0.371779 0.120818 0.286252 0.154 Uiso 1 1 calc R U . . .
C161 C 0.3623(3) 0.1592(5) 0.3330(7) 0.124(8) Uani 1 1 d D . . . .
H16D H 0.365571 0.178264 0.318893 0.186 Uiso 1 1 calc R U . . .
H16E H 0.342489 0.152667 0.317638 0.186 Uiso 1 1 calc R U . . .
H16F H 0.368063 0.170441 0.357740 0.186 Uiso 1 1 calc R U . . .
C162 C 0.4692(3) 0.1368(4) 0.3539(4) 0.051(4) Uani 1 1 d . . . . .
H16G H 0.459007 0.150761 0.328848 0.061 Uiso 1 1 calc R U . . .
H16H H 0.487545 0.149496 0.371190 0.061 Uiso 1 1 calc R U . . .
C163 C 0.4895(3) 0.0697(4) 0.3787(4) 0.049(4) Uani 1 1 d . . . . .
C164 C 0.4734(3) 0.0948(4) 0.3476(4) 0.050(4) Uani 1 1 d . . . . .
C165 C 0.4620(3) 0.0807(4) 0.3102(4) 0.053(4) Uani 1 1 d . . . . .
H16I H 0.451272 0.097867 0.288765 0.063 Uiso 1 1 calc R U . . .
C166 C 0.4661(3) 0.0417(5) 0.3038(5) 0.063(4) Uani 1 1 d . . . . .
C167 C 0.4801(3) 0.0171(4) 0.3345(5) 0.061(4) Uani 1 1 d . . . . .
H16J H 0.481913 -0.009738 0.330299 0.074 Uiso 1 1 calc R U . . .
C168 C 0.4918(3) 0.0300(4) 0.3718(4) 0.052(4) Uani 1 1 d . . . . .
C169 C 0.4544(3) 0.0272(4) 0.2628(4) 0.075(5) Uani 1 1 d D . . . .
C170 C 0.4253(5) 0.0100(10) 0.2447(7) 0.215(17) Uani 1 1 d D . . . .
H17A H 0.426679 -0.012142 0.260371 0.322 Uiso 1 1 calc R U . . .
H17B H 0.413300 0.030304 0.243842 0.322 Uiso 1 1 calc R U . . .
H17C H 0.417525 0.000926 0.218448 0.322 Uiso 1 1 calc R U . . .
C171 C 0.4745(5) -0.0006(8) 0.2623(8) 0.183(12) Uani 1 1 d D U . . .
H17D H 0.479189 -0.022510 0.280130 0.275 Uiso 1 1 calc R U . . .
H17E H 0.465621 -0.010877 0.236165 0.275 Uiso 1 1 calc R U . . .
H17F H 0.491376 0.013650 0.270484 0.275 Uiso 1 1 calc R U . . .
C172 C 0.4478(7) 0.0605(6) 0.2347(5) 0.187(15) Uani 1 1 d D . . . .
H17G H 0.435005 0.078997 0.234110 0.281 Uiso 1 1 calc R U . . .
H17H H 0.465027 0.074161 0.243067 0.281 Uiso 1 1 calc R U . . .
H17I H 0.439272 0.049634 0.208748 0.281 Uiso 1 1 calc R U . . .
C173 C 0.6025(3) 0.1208(4) 0.4965(4) 0.048(4) Uani 1 1 d . . . . .
C174 C 0.6161(3) 0.0853(5) 0.5015(4) 0.068(4) Uani 1 1 d . . . . .
C175 C 0.6391(4) 0.0842(5) 0.5004(5) 0.087(6) Uani 1 1 d . . . . .
H17J H 0.647967 0.059634 0.504147 0.105 Uiso 1 1 calc R U . . .
C176 C 0.6498(3) 0.1179(6) 0.4939(5) 0.081(5) Uani 1 1 d D . . . .
C177 C 0.6374(3) 0.1532(4) 0.4930(4) 0.061(4) Uani 1 1 d . . . . .
H17K H 0.645023 0.177160 0.491743 0.073 Uiso 1 1 calc R U . . .
C178 C 0.6140(3) 0.1546(4) 0.4938(4) 0.046(3) Uani 1 1 d . . . . .
C179 C 0.6742(3) 0.1161(5) 0.4904(5) 0.105(7) Uani 1 1 d D . . . .
C180 C 0.6769(6) 0.0742(6) 0.4792(10) 0.192(14) Uani 1 1 d D . . . .
H18A H 0.660155 0.067747 0.453522 0.288 Uiso 1 1 calc R U . . .
H18B H 0.693130 0.072872 0.478713 0.288 Uiso 1 1 calc R U . . .
H18C H 0.679025 0.055419 0.498121 0.288 Uiso 1 1 calc R U . . .
C181 C 0.7005(4) 0.1254(9) 0.5305(6) 0.167(12) Uani 1 1 d D . . . .
H18D H 0.702227 0.106958 0.549387 0.250 Uiso 1 1 calc R U . . .
H18E H 0.716725 0.122997 0.530044 0.250 Uiso 1 1 calc R U . . .
H18F H 0.699394 0.152298 0.537711 0.250 Uiso 1 1 calc R U . . .
C182 C 0.6682(5) 0.1424(7) 0.4570(7) 0.145(9) Uani 1 1 d D . . . .
H18G H 0.650951 0.133776 0.432881 0.218 Uiso 1 1 calc R U . . .
H18H H 0.666215 0.169687 0.462295 0.218 Uiso 1 1 calc R U . . .
H18I H 0.683547 0.140386 0.454629 0.218 Uiso 1 1 calc R U . . .
C183 C 0.6003(3) 0.1943(4) 0.4885(4) 0.045(3) Uani 1 1 d . . . . .
H18J H 0.589160 0.192519 0.498900 0.054 Uiso 1 1 calc R U . . .
H18K H 0.614949 0.214195 0.504024 0.054 Uiso 1 1 calc R U . . .
C184 C 0.5534(3) 0.2087(3) 0.4284(3) 0.034(3) Uani 1 1 d . . . . .
C185 C 0.5370(2) 0.2238(3) 0.3904(3) 0.032(3) Uani 1 1 d . . . . .
C186 C 0.5493(2) 0.2363(3) 0.3732(3) 0.038(3) Uani 1 1 d . . . . .
H18L H 0.537915 0.245868 0.347418 0.045 Uiso 1 1 calc R U . . .
C187 C 0.5786(3) 0.2354(4) 0.3926(4) 0.048(3) Uani 1 1 d D . . . .
C188 C 0.5932(3) 0.2219(3) 0.4290(4) 0.045(3) Uani 1 1 d . . . . .
H18M H 0.612815 0.221524 0.443022 0.054 Uiso 1 1 calc R U . . .
C189 C 0.5820(3) 0.2082(3) 0.4479(3) 0.039(3) Uani 1 1 d . . . . .
C190 C 0.5916(2) 0.2522(4) 0.3729(3) 0.063(4) Uani 1 1 d D . . . .
C191 C 0.5846(4) 0.2967(4) 0.3653(6) 0.099(5) Uani 0.747(15) 1 d D . P D 1
H19A H 0.592713 0.307807 0.352839 0.149 Uiso 0.747(15) 1 calc R U P D 1
H19B H 0.564441 0.300154 0.348444 0.149 Uiso 0.747(15) 1 calc R U P D 1
H19C H 0.592319 0.310150 0.389911 0.149 Uiso 0.747(15) 1 calc R U P D 1
C192 C 0.6235(3) 0.2463(7) 0.3990(5) 0.099(5) Uani 0.747(15) 1 d D . P D 1
H19D H 0.631352 0.257093 0.386149 0.149 Uiso 0.747(15) 1 calc R U P D 1
H19E H 0.631470 0.259977 0.423617 0.149 Uiso 0.747(15) 1 calc R U P D 1
H19F H 0.627712 0.218238 0.403852 0.149 Uiso 0.747(15) 1 calc R U P D 1
C306 C 0.5785(4) 0.2310(6) 0.3336(4) 0.099(5) Uani 0.747(15) 1 d D . P D 1
H30A H 0.586667 0.241480 0.320950 0.149 Uiso 0.747(15) 1 calc R U P D 1
H30B H 0.582272 0.202799 0.338058 0.149 Uiso 0.747(15) 1 calc R U P D 1
H30C H 0.558459 0.235508 0.317113 0.149 Uiso 0.747(15) 1 calc R U P D 1
C91' C 0.6105(9) 0.2867(11) 0.3981(11) 0.099(5) Uani 0.253(15) 1 d D . P D 2
H91A H 0.625009 0.277077 0.424058 0.149 Uiso 0.253(15) 1 calc R U P D 2
H91B H 0.619028 0.298334 0.386470 0.149 Uiso 0.253(15) 1 calc R U P D 2
H91C H 0.599356 0.306645 0.399852 0.149 Uiso 0.253(15) 1 calc R U P D 2
C92' C 0.6091(10) 0.2189(9) 0.3722(15) 0.099(5) Uani 0.253(15) 1 d D . P D 2
H92A H 0.623760 0.210856 0.398699 0.149 Uiso 0.253(15) 1 calc R U P D 2
H92B H 0.597120 0.196352 0.357827 0.149 Uiso 0.253(15) 1 calc R U P D 2
H92C H 0.617520 0.228397 0.359589 0.149 Uiso 0.253(15) 1 calc R U P D 2
C06' C 0.5684(4) 0.2656(15) 0.3317(7) 0.099(5) Uani 0.253(15) 1 d D . P D 2
H06A H 0.556836 0.243013 0.316610 0.149 Uiso 0.253(15) 1 calc R U P D 2
H06B H 0.556862 0.285364 0.332885 0.149 Uiso 0.253(15) 1 calc R U P D 2
H06C H 0.576533 0.277053 0.319503 0.149 Uiso 0.253(15) 1 calc R U P D 2
C193 C 0.5056(2) 0.2295(3) 0.3681(3) 0.031(3) Uani 1 1 d . . . . .
H19G H 0.499215 0.217481 0.382689 0.037 Uiso 1 1 calc R U . . .
H19H H 0.496002 0.216159 0.342745 0.037 Uiso 1 1 calc R U . . .
C194 C 0.5058(2) 0.2973(3) 0.3930(3) 0.028(3) Uani 1 1 d . . . . .
C195 C 0.4985(2) 0.2732(3) 0.3621(3) 0.029(3) Uani 1 1 d . . . . .
C196 C 0.4867(2) 0.2890(4) 0.3263(3) 0.033(3) Uani 1 1 d . . . . .
H19I H 0.481833 0.271916 0.305665 0.040 Uiso 1 1 calc R U . . .
C197 C 0.4814(2) 0.3290(3) 0.3187(3) 0.037(3) Uani 1 1 d . . . . .
C198 C 0.4886(2) 0.3522(4) 0.3503(3) 0.037(3) Uani 1 1 d . . . . .
H19J H 0.485028 0.379581 0.346362 0.044 Uiso 1 1 calc R U . . .
C199 C 0.5008(2) 0.3371(3) 0.3871(3) 0.027(3) Uani 1 1 d . . . . .
C200 C 0.4679(2) 0.3481(3) 0.2790(3) 0.043(3) Uani 1 1 d D . . . .
C201 C 0.4610(3) 0.3186(4) 0.2486(4) 0.069(4) Uani 1 1 d . . . . .
H20A H 0.477933 0.304620 0.256160 0.104 Uiso 1 1 calc R U . . .
H20B H 0.447464 0.299828 0.245695 0.104 Uiso 1 1 calc R U . . .
H20C H 0.453209 0.332132 0.223962 0.104 Uiso 1 1 calc R U . . .
C202 C 0.4885(3) 0.3781(4) 0.2822(4) 0.057(4) Uani 1 1 d D . . . .
H20D H 0.493137 0.397613 0.302029 0.086 Uiso 1 1 calc R U . . .
H20E H 0.505389 0.364570 0.289254 0.086 Uiso 1 1 calc R U . . .
H20F H 0.480001 0.391374 0.257284 0.086 Uiso 1 1 calc R U . . .
C203 C 0.4415(2) 0.3701(4) 0.2672(4) 0.062(4) Uani 1 1 d D . . . .
H20G H 0.446059 0.389357 0.287072 0.092 Uiso 1 1 calc R U . . .
H20H H 0.433701 0.383560 0.242544 0.092 Uiso 1 1 calc R U . . .
H20I H 0.427956 0.351256 0.264277 0.092 Uiso 1 1 calc R U . . .
C204 C 0.5057(2) 0.3659(3) 0.4177(3) 0.034(3) Uani 1 1 d . . . . .
H20J H 0.524337 0.361365 0.441933 0.041 Uiso 1 1 calc R U . . .
H20K H 0.505176 0.393028 0.409003 0.041 Uiso 1 1 calc R U . . .
C205 C 0.4887(2) 0.3422(3) 0.4576(3) 0.029(3) Uani 1 1 d . . . . .
C206 C 0.4844(3) 0.3620(3) 0.4258(3) 0.034(3) Uani 1 1 d . . . . .
C207 C 0.4585(3) 0.3783(4) 0.3990(4) 0.048(3) Uani 1 1 d . . . . .
H20L H 0.455847 0.392085 0.377735 0.058 Uiso 1 1 calc R U . . .
C208 C 0.4362(2) 0.3757(4) 0.4014(4) 0.054(4) Uani 1 1 d D . . . .
C209 C 0.4418(3) 0.3564(4) 0.4337(4) 0.049(4) Uani 1 1 d . . . . .
H20M H 0.427258 0.354179 0.436812 0.059 Uiso 1 1 calc R U . . .
C210 C 0.4677(3) 0.3400(3) 0.4622(3) 0.040(3) Uani 1 1 d . . . . .
C211 C 0.4077(2) 0.3932(5) 0.3701(4) 0.090(6) Uani 1 1 d D . . . .
C212 C 0.3973(5) 0.3797(10) 0.3294(5) 0.220(19) Uani 1 1 d D . . . .
H21A H 0.395031 0.351114 0.327555 0.330 Uiso 1 1 calc R U . . .
H21B H 0.379441 0.392233 0.310322 0.330 Uiso 1 1 calc R U . . .
H21C H 0.410844 0.387229 0.324437 0.330 Uiso 1 1 calc R U . . .
C213 C 0.3853(3) 0.3839(7) 0.3761(5) 0.120(8) Uani 1 1 d D . . . .
H21D H 0.382097 0.355451 0.373942 0.179 Uiso 1 1 calc R U . . .
H21E H 0.391484 0.392776 0.401754 0.179 Uiso 1 1 calc R U . . .
H21F H 0.368107 0.397373 0.356343 0.179 Uiso 1 1 calc R U . . .
C214 C 0.4709(2) 0.3197(3) 0.4961(3) 0.039(3) Uani 1 1 d . . . . .
H21G H 0.462280 0.336181 0.505564 0.047 Uiso 1 1 calc R U . . .
H21H H 0.490833 0.316972 0.517381 0.047 Uiso 1 1 calc R U . . .
C215 C 0.6275(2) 0.4809(4) 0.5980(3) 0.040(3) Uani 1 1 d . . . . .
H21I H 0.623496 0.455172 0.604522 0.048 Uiso 1 1 calc R U . . .
H21J H 0.621542 0.501706 0.607944 0.048 Uiso 1 1 calc R U . . .
C216 C 0.6003(2) 0.4534(4) 0.5293(3) 0.033(3) Uani 1 1 d . . . . .
C217 C 0.6112(2) 0.4846(4) 0.5549(3) 0.035(3) Uani 1 1 d . . . . .
C218 C 0.6076(3) 0.5229(4) 0.5407(4) 0.049(3) Uani 1 1 d . . . . .
H21K H 0.614553 0.544128 0.558487 0.059 Uiso 1 1 calc R U . . .
C219 C 0.5943(3) 0.5312(4) 0.5017(4) 0.058(4) Uani 1 1 d . U . . .
C220 C 0.5837(3) 0.4987(4) 0.4773(4) 0.049(4) Uani 1 1 d . . . . .
H22A H 0.573916 0.503069 0.450387 0.059 Uiso 1 1 calc R U . . .
C221 C 0.5864(2) 0.4608(4) 0.4899(4) 0.038(3) Uani 1 1 d . . . . .
C222 C 0.5889(5) 0.5731(5) 0.4864(4) 0.108(8) Uani 1 1 d D . . . .
C223 C 0.6124(6) 0.6008(7) 0.5150(7) 0.203(13) Uani 1 1 d D U . . .
H22B H 0.629622 0.592428 0.518817 0.305 Uiso 1 1 calc R U . . .
H22C H 0.607835 0.627601 0.504741 0.305 Uiso 1 1 calc R U . . .
H22D H 0.614837 0.600023 0.539731 0.305 Uiso 1 1 calc R U . . .
C224 C 0.5838(6) 0.5767(7) 0.4471(5) 0.163(10) Uani 1 1 d D U . . .
H22E H 0.598840 0.563717 0.447965 0.245 Uiso 1 1 calc R U . . .
H22F H 0.566075 0.564136 0.427320 0.245 Uiso 1 1 calc R U . . .
H22G H 0.583081 0.604509 0.440645 0.245 Uiso 1 1 calc R U . . .
C225 C 0.5741(2) 0.4281(3) 0.4604(3) 0.031(3) Uani 1 1 d . . . . .
H22H H 0.554989 0.435361 0.438616 0.037 Uiso 1 1 calc R U . . .
H22I H 0.573106 0.403949 0.472329 0.037 Uiso 1 1 calc R U . . .
C226 C 0.6156(2) 0.3975(3) 0.4657(3) 0.027(3) Uani 1 1 d . . . . .
C227 C 0.5910(2) 0.4198(3) 0.4448(3) 0.031(3) Uani 1 1 d . . . . .
C228 C 0.5817(2) 0.4357(3) 0.4094(4) 0.039(3) Uani 1 1 d . . . . .
H22J H 0.564903 0.450354 0.395822 0.047 Uiso 1 1 calc R U . . .
C229 C 0.5960(2) 0.4310(3) 0.3929(3) 0.036(3) Uani 1 1 d D . . . .
C230 C 0.6194(2) 0.4085(4) 0.4134(3) 0.040(3) Uani 1 1 d . . . . .
H23B H 0.629140 0.403697 0.402385 0.048 Uiso 1 1 calc R U . . .
C231 C 0.6298(2) 0.3923(3) 0.4491(3) 0.029(3) Uani 1 1 d . . . . .
C232 C 0.6562(2) 0.3677(4) 0.4689(3) 0.042(3) Uani 1 1 d . . . . .
H23C H 0.655690 0.339854 0.469889 0.050 Uiso 1 1 calc R U . . .
C233 C 0.5843(2) 0.4494(3) 0.3531(3) 0.053(4) Uani 1 1 d D . . . .
C234 C 0.6046(4) 0.4470(7) 0.3427(5) 0.125(9) Uani 1 1 d D . . . .
H23D H 0.622203 0.459288 0.363104 0.187 Uiso 1 1 calc R U . . .
H23E H 0.607872 0.419405 0.339932 0.187 Uiso 1 1 calc R U . . .
H23F H 0.596921 0.460790 0.318231 0.187 Uiso 1 1 calc R U . . .
C235 C 0.5786(4) 0.4931(4) 0.3542(5) 0.101(6) Uani 1 1 d D . . . .
H23G H 0.565481 0.496040 0.360865 0.152 Uiso 1 1 calc R U . . .
H23H H 0.596006 0.506469 0.373588 0.152 Uiso 1 1 calc R U . . .
H23I H 0.570650 0.504806 0.328760 0.152 Uiso 1 1 calc R U . . .
C236 C 0.5563(3) 0.4307(7) 0.3225(4) 0.118(7) Uani 1 1 d D . . . .
H23J H 0.543902 0.432969 0.330500 0.177 Uiso 1 1 calc R U . . .
H23K H 0.548033 0.444341 0.297840 0.177 Uiso 1 1 calc R U . . .
H23L H 0.558985 0.402955 0.319540 0.177 Uiso 1 1 calc R U . . .
C237 C 0.6323(6) 0.2004(7) 0.9338(6) 0.149(10) Uani 1 1 d D . . . .
C238 C 0.6437(7) 0.1604(8) 0.9534(9) 0.202(13) Uani 1 1 d D U . . .
H23M H 0.663780 0.162314 0.972874 0.243 Uiso 1 1 calc R U . E 2
H23N H 0.639737 0.140797 0.933937 0.243 Uiso 1 1 calc R U . E 2
H23O H 0.634798 0.152483 0.965745 0.243 Uiso 1 1 calc R U . E 2
C239 C 0.6284(11) 0.2389(10) 0.9491(14) 0.146(12) Uani 0.49(3) 1 d D U P F 1
H23P H 0.620566 0.259042 0.928864 0.219 Uiso 0.49(3) 1 calc R U P F 1
H23Q H 0.615853 0.234408 0.956463 0.219 Uiso 0.49(3) 1 calc R U P F 1
H23R H 0.646464 0.247905 0.971686 0.219 Uiso 0.49(3) 1 calc R U P F 1
C39' C 0.6572(8) 0.2061(16) 0.9764(8) 0.146(12) Uani 0.51(3) 1 d D U P F 2
H39A H 0.660579 0.234252 0.982119 0.219 Uiso 0.51(3) 1 calc R U P F 2
H39B H 0.653072 0.193916 0.993263 0.219 Uiso 0.51(3) 1 calc R U P F 2
H39C H 0.673725 0.193821 0.980793 0.219 Uiso 0.51(3) 1 calc R U P F 2
C240 C 0.6657(2) 0.4051(4) 0.6817(3) 0.049(4) Uani 1 1 d . . . . .
H24A H 0.667225 0.399132 0.705248 0.073 Uiso 1 1 calc R U . . .
H24B H 0.681494 0.393494 0.683379 0.073 Uiso 1 1 calc R U . . .
H24C H 0.665779 0.433631 0.678684 0.073 Uiso 1 1 calc R U . . .
C241 C 0.5757(2) 0.3441(3) 0.5613(3) 0.023(3) Uani 1 1 d . . . . .
C242 C 0.5744(2) 0.3202(3) 0.4416(3) 0.038(3) Uani 1 1 d . . . . .
H24D H 0.591231 0.331349 0.446156 0.057 Uiso 1 1 calc R U . . .
H24E H 0.574170 0.291686 0.438066 0.057 Uiso 1 1 calc R U . . .
H24F H 0.558031 0.331951 0.418390 0.057 Uiso 1 1 calc R U . . .
C243 C 0.5164(3) 0.2520(4) 0.5832(4) 0.051(4) Uani 1 1 d . . . . .
H24G H 0.523581 0.253632 0.610461 0.076 Uiso 1 1 calc R U . . .
H24H H 0.496728 0.259519 0.567030 0.076 Uiso 1 1 calc R U . . .
H24I H 0.518309 0.225099 0.577003 0.076 Uiso 1 1 calc R U . . .
C244 C 0.6939(4) 0.1347(5) 0.7889(6) 0.095(5) Uani 1 1 d . U . . .
H24J H 0.698875 0.161568 0.786053 0.114 Uiso 1 1 calc R U . . .
H24K H 0.706817 0.116185 0.789065 0.114 Uiso 1 1 calc R U . . .
C245 C 0.7112(3) 0.2882(4) 0.6666(4) 0.050(4) Uani 1 1 d . . . . .
H24L H 0.702348 0.279804 0.679164 0.061 Uiso 1 1 calc R U . . .
H24M H 0.696730 0.288324 0.638330 0.061 Uiso 1 1 calc R U . . .
C246 C 0.5610(4) 0.1206(5) 0.4021(5) 0.080(5) Uani 1 1 d . . . . .
C247 C 0.5401(5) 0.0727(7) 0.3512(7) 0.140(9) Uani 1 1 d . . . . .
H24N H 0.543555 0.062712 0.332932 0.210 Uiso 1 1 calc R U . . .
H24O H 0.541398 0.051117 0.367377 0.210 Uiso 1 1 calc R U . . .
H24P H 0.521484 0.084291 0.336999 0.210 Uiso 1 1 calc R U . . .
C249 C 0.5825(4) 0.1071(7) 0.3712(7) 0.126(8) Uani 1 1 d . . . . .
H24Q H 0.578409 0.091063 0.349440 0.189 Uiso 1 1 calc R U . . .
H24R H 0.583897 0.134787 0.366201 0.189 Uiso 1 1 calc R U . . .
H24S H 0.600044 0.098597 0.394856 0.189 Uiso 1 1 calc R U . . .
C251 C 0.6631(4) 0.5169(5) 0.4846(5) 0.093(2) Uani 1 1 d . . . . .
H25B H 0.674605 0.540316 0.491187 0.140 Uiso 1 1 calc R U . . .
H25C H 0.664677 0.500031 0.467366 0.140 Uiso 1 1 calc R U . . .
H25D H 0.643674 0.524719 0.471550 0.140 Uiso 1 1 calc R U . . .
C252 C 0.7005(4) 0.5032(5) 0.5482(5) 0.093(2) Uani 1 1 d . U . . .
H25E H 0.706507 0.528142 0.543931 0.140 Uiso 1 1 calc R U . . .
H25F H 0.702787 0.504261 0.572874 0.140 Uiso 1 1 calc R U . . .
H25G H 0.711668 0.481711 0.548829 0.140 Uiso 1 1 calc R U . . .
C253 C 0.6105(3) 0.2798(4) 0.6405(4) 0.052(4) Uani 1 1 d . . . . .
H25H H 0.604539 0.254384 0.644057 0.078 Uiso 1 1 calc R U . . .
H25I H 0.603580 0.282697 0.613404 0.078 Uiso 1 1 calc R U . . .
H25J H 0.630849 0.280987 0.656977 0.078 Uiso 1 1 calc R U . . .
C254 C 0.5752(2) 0.2475(4) 0.5362(3) 0.046(3) Uani 1 1 d . . . . .
H25K H 0.574283 0.223460 0.547972 0.068 Uiso 1 1 calc R U . . .
H25L H 0.584675 0.241967 0.524086 0.068 Uiso 1 1 calc R U . . .
H25M H 0.585503 0.267687 0.556090 0.068 Uiso 1 1 calc R U . . .
C255 C 0.6392(3) 0.3129(4) 0.5878(5) 0.071(4) Uani 1 1 d . . . . .
H25N H 0.641758 0.292186 0.574187 0.107 Uiso 1 1 calc R U . . .
H25O H 0.655768 0.314402 0.614589 0.107 Uiso 1 1 calc R U . . .
H25P H 0.623010 0.306706 0.587551 0.107 Uiso 1 1 calc R U . . .
C256 C 0.6022(4) 0.1816(4) 0.6720(5) 0.071(5) Uani 1 1 d . . . . .
H25Q H 0.613324 0.205733 0.677854 0.085 Uiso 1 1 calc R U . . .
H25R H 0.594227 0.174006 0.645044 0.085 Uiso 1 1 calc R U . . .
C257 C 0.6493(3) 0.2849(5) 0.5245(6) 0.092(6) Uani 1 1 d . . . . .
H25S H 0.630934 0.294789 0.515237 0.138 Uiso 1 1 calc R U . . .
H25T H 0.650042 0.280357 0.502441 0.138 Uiso 1 1 calc R U . . .
H25U H 0.652882 0.260134 0.538408 0.138 Uiso 1 1 calc R U . . .
C259 C 0.5358(3) 0.1453(5) 0.5191(4) 0.060(4) Uani 1 1 d . . . . .
C260 C 0.5392(4) 0.1523(5) 0.5562(5) 0.090(6) Uani 1 1 d . . . . .
H26A H 0.541733 0.180465 0.562094 0.135 Uiso 1 1 calc R U . . .
H26B H 0.522709 0.143036 0.553862 0.135 Uiso 1 1 calc R U . . .
H26C H 0.555570 0.137983 0.577080 0.135 Uiso 1 1 calc R U . . .
C261 C 0.6720(4) 0.2896(4) 0.7513(5) 0.065(4) Uani 1 1 d . U . . .
C262 C 0.6884(3) 0.3122(6) 0.7404(5) 0.091(6) Uani 1 1 d . . . . .
H26D H 0.708118 0.311866 0.762139 0.137 Uiso 1 1 calc R U . . .
H26E H 0.685920 0.299947 0.717849 0.137 Uiso 1 1 calc R U . . .
H26F H 0.681789 0.339386 0.734317 0.137 Uiso 1 1 calc R U . . .
C263 C 0.7026(4) 0.1978(6) 0.9030(5) 0.098(6) Uani 1 1 d . . . . .
H26G H 0.711369 0.219684 0.898603 0.117 Uiso 1 1 calc R U . . .
H26H H 0.714562 0.191716 0.930979 0.117 Uiso 1 1 calc R U . . .
C264 C 0.7106(6) 0.0513(8) 0.9016(9) 0.213(14) Uani 1 1 d D U . . .
C266 C 0.7152(8) 0.0158(10) 0.8839(9) 0.249(10) Uani 1 1 d D U . . .
H26L H 0.727030 0.023526 0.875930 0.373 Uiso 1 1 calc R U . . .
H26M H 0.724293 -0.005293 0.903118 0.373 Uiso 1 1 calc R U . . .
H26N H 0.697307 0.006480 0.861398 0.373 Uiso 1 1 calc R U . . .
C267 C 0.6457(5) 0.4419(6) 0.8822(6) 0.125(8) Uani 1 1 d . U . . .
H26O H 0.649486 0.458120 0.903778 0.188 Uiso 1 1 calc R U . . .
H26P H 0.657672 0.450130 0.874732 0.188 Uiso 1 1 calc R U . . .
H26Q H 0.626195 0.444931 0.860241 0.188 Uiso 1 1 calc R U . . .
C268 C 0.6465(8) 0.3795(10) 0.9229(10) 0.106(9) Uani 0.60(2) 1 d . U P G 1
H26R H 0.651839 0.351813 0.925887 0.159 Uiso 0.60(2) 1 calc R U P G 1
H26S H 0.657816 0.392635 0.948066 0.159 Uiso 0.60(2) 1 calc R U P G 1
H26T H 0.626856 0.381479 0.912588 0.159 Uiso 0.60(2) 1 calc R U P G 1
C68' C 0.6240(11) 0.4039(15) 0.8931(14) 0.106(9) Uani 0.40(2) 1 d . U P G 2
H68A H 0.620158 0.378821 0.900340 0.159 Uiso 0.40(2) 1 calc R U P G 2
H68B H 0.626894 0.424344 0.911278 0.159 Uiso 0.40(2) 1 calc R U P G 2
H68C H 0.608273 0.411086 0.866937 0.159 Uiso 0.40(2) 1 calc R U P G 2
C269 C 0.6884(5) 0.5183(10) 0.8201(9) 0.101(9) Uani 0.51(2) 1 d D U P A 1
H26U H 0.689934 0.499301 0.838480 0.151 Uiso 0.51(2) 1 calc R U P A 1
H26V H 0.700140 0.509877 0.812187 0.151 Uiso 0.51(2) 1 calc R U P A 1
H26W H 0.694481 0.544199 0.832349 0.151 Uiso 0.51(2) 1 calc R U P A 1
C69' C 0.6672(11) 0.5203(11) 0.8262(7) 0.101(9) Uani 0.49(2) 1 d D U P A 2
H69C H 0.660036 0.496592 0.830582 0.151 Uiso 0.49(2) 1 calc R U P A 2
H69D H 0.687519 0.520307 0.843790 0.151 Uiso 0.49(2) 1 calc R U P A 2
H69E H 0.659965 0.543600 0.830929 0.151 Uiso 0.49(2) 1 calc R U P A 2
C270 C 0.6280(8) 0.0121(7) 0.7372(8) 0.203(15) Uani 1 1 d D . . . .
H27A H 0.619200 0.023426 0.748659 0.304 Uiso 1 1 calc R U . . .
H27B H 0.622459 -0.015529 0.730683 0.304 Uiso 1 1 calc R U . . .
H27C H 0.648210 0.013693 0.755838 0.304 Uiso 1 1 calc R U . . .
C271 C 0.5147(6) 0.1120(8) 0.6666(9) 0.211(17) Uani 1 1 d . . . . .
H27D H 0.518913 0.123426 0.690482 0.317 Uiso 1 1 calc R U . . .
H27E H 0.498611 0.094645 0.655143 0.317 Uiso 1 1 calc R U . . .
H27F H 0.530782 0.096922 0.672286 0.317 Uiso 1 1 calc R U . . .
C272 C 0.4622(4) 0.3016(7) 0.6895(6) 0.131(8) Uani 1 1 d D U . . .
H27G H 0.465370 0.273897 0.687159 0.196 Uiso 1 1 calc R U . . .
H27H H 0.477930 0.311764 0.714487 0.196 Uiso 1 1 calc R U . . .
H27I H 0.445149 0.304259 0.687905 0.196 Uiso 1 1 calc R U . . .
C273 C 0.5087(3) 0.0011(4) 0.4043(4) 0.072(5) Uani 1 1 d . . . . .
H27J H 0.506159 0.006783 0.424820 0.086 Uiso 1 1 calc R U . . .
H27K H 0.501516 -0.025747 0.394561 0.086 Uiso 1 1 calc R U . . .
C274 C 0.5765(5) -0.0184(5) 0.4183(6) 0.095(6) Uani 1 1 d D . . . .
C275 C 0.5392(3) 0.0020(4) 0.4217(5) 0.065(4) Uani 1 1 d . . . . .
C276 C 0.5486(4) -0.0185(5) 0.4035(5) 0.077(5) Uani 1 1 d . . . . .
H27L H 0.535808 -0.032838 0.380635 0.092 Uiso 1 1 calc R U . . .
C277 C 0.5570(4) 0.0243(5) 0.4534(5) 0.068(4) Uani 1 1 d . . . . .
C278 C 0.5849(4) 0.0240(4) 0.4693(5) 0.076(5) Uani 1 1 d . . . . .
C279 C 0.5950(4) 0.0028(5) 0.4514(6) 0.089(5) Uani 1 1 d . . . . .
H27M H 0.614206 0.003201 0.462047 0.106 Uiso 1 1 calc R U . . .
C280 C 0.5864(4) -0.0382(6) 0.3961(6) 0.120(8) Uani 1 1 d D . . . .
C281 C 0.5676(8) -0.0360(12) 0.3550(11) 0.243(17) Uani 1 1 d . U . . .
H28D H 0.548497 -0.034247 0.347297 0.364 Uiso 1 1 calc R U . . .
H28E H 0.571770 -0.012589 0.345892 0.364 Uiso 1 1 calc R U . . .
H28F H 0.569521 -0.059488 0.343573 0.364 Uiso 1 1 calc R U . . .
C282 C 0.6064(4) 0.0461(4) 0.5072(5) 0.091(6) Uani 1 1 d . . . . .
H28G H 0.598233 0.050883 0.521416 0.110 Uiso 1 1 calc R U . . .
H28H H 0.622821 0.028937 0.523499 0.110 Uiso 1 1 calc R U . . .
C283 C 0.8771(4) 0.2121(7) 0.7073(9) 0.227(19) Uani 1 1 d D . . . .
H28I H 0.878322 0.228514 0.689445 0.341 Uiso 1 1 calc R U . . .
H28J H 0.872041 0.228550 0.721088 0.341 Uiso 1 1 calc R U . . .
H28K H 0.895143 0.199738 0.725904 0.341 Uiso 1 1 calc R U . . .
C284 C 0.8613(7) 0.1518(10) 0.6626(10) 0.239(16) Uani 1 1 d D U . . .
H28L H 0.860101 0.165863 0.641684 0.359 Uiso 1 1 calc R U . . .
H28M H 0.880051 0.141123 0.680493 0.359 Uiso 1 1 calc R U . . .
H28N H 0.847826 0.130194 0.651753 0.359 Uiso 1 1 calc R U . . .
C285 C 0.4445(4) 0.2560(6) 0.3900(5) 0.091(2) Uani 1 1 d . . . . .
C288 C 0.4241(4) 0.2375(5) 0.3260(5) 0.091(2) Uani 1 1 d . . . . .
H28R H 0.405964 0.239771 0.300957 0.137 Uiso 1 1 calc R U . . .
H28S H 0.438228 0.250417 0.324699 0.137 Uiso 1 1 calc R U . . .
H28T H 0.428815 0.209646 0.332344 0.137 Uiso 1 1 calc R U . . .
C286 C 0.6829(5) 0.4026(7) 0.9243(6) 0.153(9) Uani 1 1 d . U . . .
H28O H 0.690341 0.376635 0.935628 0.230 Uiso 1 1 calc R U . . .
H28P H 0.691291 0.411830 0.911603 0.230 Uiso 1 1 calc R U . . .
H28Q H 0.687184 0.421103 0.944666 0.230 Uiso 1 1 calc R U . . .
C289 C 0.7807(3) 0.3053(5) 0.6618(4) 0.059(4) Uani 1 1 d . . . . .
H28U H 0.783037 0.280827 0.653378 0.071 Uiso 1 1 calc R U . . .
C291 C 0.8000(4) 0.3563(8) 0.7083(7) 0.153(11) Uani 1 1 d . . . . .
H29D H 0.817834 0.362206 0.732824 0.229 Uiso 1 1 calc R U . . .
H29E H 0.795464 0.376981 0.689527 0.229 Uiso 1 1 calc R U . . .
H29F H 0.785463 0.355011 0.712490 0.229 Uiso 1 1 calc R U . . .
C292 C 0.8296(3) 0.3006(7) 0.7160(6) 0.116(7) Uani 1 1 d . . . . .
H29G H 0.842401 0.316049 0.739332 0.175 Uiso 1 1 calc R U . . .
H29H H 0.828267 0.273877 0.723353 0.175 Uiso 1 1 calc R U . . .
H29I H 0.836391 0.299606 0.700012 0.175 Uiso 1 1 calc R U . . .
C294 C 0.5788(4) 0.4391(5) 0.7750(6) 0.102(3) Uani 1 1 d . . . . .
H29J H 0.567035 0.441421 0.784071 0.153 Uiso 1 1 calc R U . . .
H29K H 0.598339 0.440367 0.797146 0.153 Uiso 1 1 calc R U . . .
H29L H 0.574608 0.460640 0.757163 0.153 Uiso 1 1 calc R U . . .
C295 C 0.5857(4) 0.3898(6) 0.7398(6) 0.102(3) Uani 1 1 d . . . . .
C296 C 0.6165(9) 0.1588(15) 0.7771(13) 0.220(17) Uani 1 1 d . U . . .
C298 C 0.5903(7) 0.1007(9) 0.7657(9) 0.201(7) Uani 1 1 d D U . . .
H29M H 0.579167 0.096193 0.775495 0.241 Uiso 1 1 calc R U . . .
H29N H 0.599881 0.076363 0.767757 0.241 Uiso 1 1 calc R U . . .
H29O H 0.578130 0.108875 0.738613 0.241 Uiso 1 1 calc R U . . .
C299 C 0.5573(4) 0.3751(5) 0.7602(6) 0.102(3) Uani 1 1 d . U . . .
H29P H 0.556347 0.384163 0.781157 0.153 Uiso 1 1 calc R U . . .
H29Q H 0.566066 0.349062 0.766720 0.153 Uiso 1 1 calc R U . . .
H29R H 0.538567 0.373391 0.736214 0.153 Uiso 1 1 calc R U . . .
C300 C 0.7216(2) 0.4290(4) 0.6375(4) 0.049(4) Uani 1 1 d . . . . .
H30D H 0.712974 0.417539 0.611469 0.058 Uiso 1 1 calc R U . . .
H30E H 0.739719 0.440385 0.645984 0.058 Uiso 1 1 calc R U . . .
C301 C 0.7342(8) 0.0545(10) 0.9454(9) 0.249(10) Uani 1 1 d D U . . .
H30F H 0.749227 0.036414 0.952060 0.373 Uiso 1 1 calc R U . . .
H30G H 0.726992 0.047723 0.960232 0.373 Uiso 1 1 calc R U . . .
H30H H 0.741334 0.081478 0.951496 0.373 Uiso 1 1 calc R U . . .
C30' C 0.6926(8) 0.0462(12) 0.9164(12) 0.249(10) Uani 1 1 d D . . . .
C302 C 0.6910(6) 0.2460(10) 0.5057(9) 0.188(14) Uani 1 1 d . . . . .
H30I H 0.684295 0.244183 0.478624 0.282 Uiso 1 1 calc R U . . .
H30J H 0.707142 0.228788 0.521512 0.282 Uiso 1 1 calc R U . . .
H30K H 0.676254 0.237806 0.508035 0.282 Uiso 1 1 calc R U . . .
C303 C 0.5769(8) -0.0813(7) 0.3900(12) 0.240(17) Uani 1 1 d D U . . .
H60R H 0.586499 -0.094546 0.415036 0.360 Uiso 1 1 calc R U . . .
H60S H 0.556806 -0.082259 0.377198 0.360 Uiso 1 1 calc R U . . .
H60T H 0.581288 -0.094436 0.373805 0.360 Uiso 1 1 calc R U . . .
C304 C 0.6180(5) -0.0412(13) 0.4194(11) 0.267(19) Uani 1 1 d D U . . .
H30O H 0.626004 -0.042288 0.447027 0.401 Uiso 1 1 calc R U . . .
H30P H 0.622937 -0.065024 0.411935 0.401 Uiso 1 1 calc R U . . .
H30Q H 0.625186 -0.018125 0.414254 0.401 Uiso 1 1 calc R U . . .
C305 C 0.5551(3) 0.2665(4) 0.7153(4) 0.048(4) Uani 1 1 d . . . . .
H30R H 0.572888 0.280947 0.729106 0.058 Uiso 1 1 calc R U . . .
H30S H 0.551726 0.258506 0.734554 0.058 Uiso 1 1 calc R U . . .
C307 C 0.6243(7) 0.1306(10) 0.8301(8) 0.201(7) Uani 1 1 d D . . . .
H30T H 0.618245 0.107197 0.836697 0.301 Uiso 1 1 calc R U . . .
H30U H 0.644428 0.129840 0.843734 0.301 Uiso 1 1 calc R U . . .
H30V H 0.619169 0.154187 0.837784 0.301 Uiso 1 1 calc R U . . .
C308 C 0.4114(5) 0.4374(7) 0.3739(8) 0.156(9) Uani 1 1 d . U . . .
H30W H 0.425616 0.445020 0.370258 0.235 Uiso 1 1 calc R U . . .
H30X H 0.393786 0.450137 0.354159 0.235 Uiso 1 1 calc R U . . .
H30Y H 0.417164 0.445540 0.399571 0.235 Uiso 1 1 calc R U . . .
C310 C 0.7095(8) 0.1605(9) 0.6764(11) 0.216(6) Uani 1 1 d D . . . .
C311 C 0.6011(6) 0.1926(9) 0.9111(8) 0.184(14) Uani 1 1 d D . . . .
H31A H 0.590811 0.216287 0.896694 0.276 Uiso 1 1 calc R U . . .
H31B H 0.595896 0.170901 0.892947 0.276 Uiso 1 1 calc R U . . .
H31C H 0.596517 0.185639 0.929003 0.276 Uiso 1 1 calc R U . . .
C312 C 0.6710(7) 0.1985(9) 0.6338(11) 0.216(6) Uani 1 1 d D . . . .
H31E H 0.680574 0.205259 0.621914 0.260 Uiso 1 1 calc R U . . .
H31F H 0.678548 0.215873 0.656503 0.260 Uiso 1 1 calc R U . . .
C313 C 0.6410(7) 0.2081(10) 0.6055(10) 0.216(6) Uani 1 1 d . . . . .
H31G H 0.639047 0.235953 0.598560 0.324 Uiso 1 1 calc R U . . .
H31H H 0.633201 0.191990 0.582283 0.324 Uiso 1 1 calc R U . . .
H31I H 0.631166 0.202649 0.617018 0.324 Uiso 1 1 calc R U . . .
C316 C 0.5666(7) 0.5923(9) 0.4865(9) 0.192(12) Uani 1 1 d . U . . .
H31J H 0.563832 0.619128 0.476507 0.288 Uiso 1 1 calc R U . . .
H31K H 0.549356 0.577367 0.470098 0.288 Uiso 1 1 calc R U . . .
H31L H 0.571896 0.593154 0.512941 0.288 Uiso 1 1 calc R U . . .
C318 C 0.6839(7) 0.1479(10) 0.5980(10) 0.216(6) Uani 1 1 d D . . . .
H31M H 0.679489 0.132445 0.575660 0.324 Uiso 1 1 calc R U . . .
H31N H 0.678162 0.175223 0.590034 0.324 Uiso 1 1 calc R U . . .
H31O H 0.703962 0.146980 0.618132 0.324 Uiso 1 1 calc R U . . .
C317 C 0.6685(7) 0.1308(10) 0.6137(11) 0.216(6) Uani 1 1 d D U . . .
H31P H 0.648103 0.131865 0.594222 0.260 Uiso 1 1 calc R U . . .
H31Q H 0.674151 0.103350 0.622591 0.260 Uiso 1 1 calc R U . . .
C320 C 0.7255(7) 0.1250(9) 0.6840(10) 0.216(6) Uani 1 1 d D . . . .
H32A H 0.745305 0.130631 0.702999 0.324 Uiso 1 1 calc R U . . .
H32B H 0.719748 0.104594 0.694047 0.324 Uiso 1 1 calc R U . . .
H32C H 0.722342 0.115827 0.659922 0.324 Uiso 1 1 calc R U . . .
C319 C 0.3958(3) 0.2642(5) 0.3464(5) 0.091(2) Uani 1 1 d . . . . .
H32D H 0.381835 0.262885 0.318384 0.137 Uiso 1 1 calc R U . . .
H32E H 0.391488 0.244797 0.359061 0.137 Uiso 1 1 calc R U . . .
H32F H 0.395774 0.290590 0.355603 0.137 Uiso 1 1 calc R U . . .
O101 O 0.7236(6) 0.3148(9) 0.4796(9) 0.273(13) Uiso 1 1 d . . . . .
C501 C 0.5981(6) 0.0900(9) 0.5840(8) 0.159(10) Uiso 1 1 d . . . . .
O102 O 0.5442(6) -0.0427(8) 0.5784(8) 0.262(12) Uiso 1 1 d . . . . .


_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
Dy1 O19 2.280(7) . ?
Dy1 O40 2.289(8) . ?
Dy1 O33 2.302(7) . ?
Dy1 O42 2.309(7) . ?
Dy1 O18 2.311(7) . ?
Dy1 O28 2.313(11) . ?
Dy1 O37 2.435(8) . ?
Dy1 Co6 3.3103(17) . ?
Dy1 Co3 3.3226(17) . ?
Dy1 Dy5 3.5649(10) . ?
Dy2 O1 2.268(7) . ?
Dy2 O6 2.299(7) . ?
Dy2 O46 2.301(8) . ?
Dy2 O31 2.310(7) . ?
Dy2 O5 2.314(8) . ?
Dy2 O7 2.316(7) . ?
Dy2 O39 2.389(8) . ?
Dy2 Co4 3.2989(18) . ?
Dy2 Co5 3.2991(17) . ?
Dy2 Dy6 3.5416(10) . ?
Dy3 O11 2.195(8) . ?
Dy3 O30 2.324(9) . ?
Dy3 O34 2.327(8) . ?
Dy3 O12 2.330(8) . ?
Dy3 O16 2.377(8) . ?
Dy3 O35 2.417(9) . ?
Dy3 O9 2.445(8) . ?
Dy3 O10 2.847(10) . ?
Dy3 Dy4 3.4879(9) . ?
Dy4 O12 2.272(7) . ?
Dy4 O16 2.287(7) . ?
Dy4 O32 2.302(7) . ?
Dy4 O13 2.312(7) . ?
Dy4 O41 2.329(11) . ?
Dy4 O15 2.347(7) . ?
Dy4 O34 2.367(8) . ?
Dy4 Co1 3.2908(18) . ?
Dy4 Co2 3.3515(17) . ?
Dy5 O21 2.223(9) . ?
Dy5 O20 2.284(8) . ?
Dy5 O29 2.297(10) . ?
Dy5 O40 2.322(7) . ?
Dy5 O19 2.341(8) . ?
Dy5 O36 2.384(9) . ?
Dy5 O37 2.541(7) . ?
Dy5 C259 2.817(15) . ?
Dy6 O4 2.193(8) . ?
Dy6 O26 2.296(11) . ?
Dy6 O2 2.305(9) . ?
Dy6 O5 2.332(8) . ?
Dy6 O1 2.337(7) . ?
Dy6 O38 2.368(8) . ?
Dy6 O39 2.529(8) . ?
Dy6 C261 2.795(16) . ?
Dy6 O3 2.866(11) . ?
Co1 O50 1.960(7) . ?
Co1 O14 2.048(7) . ?
Co1 O13 2.057(7) . ?
Co1 O32 2.063(7) . ?
Co1 O23 2.104(7) . ?
Co1 Co2 2.980(2) . ?
Co2 O8 1.956(7) . ?
Co2 O14 2.015(7) . ?
Co2 O15 2.044(7) . ?
Co2 O32 2.049(7) . ?
Co2 O25 2.140(7) . ?
Co3 O22 1.957(7) . ?
Co3 O17 2.028(7) . ?
Co3 O33 2.064(7) . ?
Co3 O18 2.075(7) . ?
Co3 O24 2.124(7) . ?
Co3 Co6 2.968(2) . ?
Co4 O8 1.969(7) . ?
Co4 O48 2.048(7) . ?
Co4 O7 2.068(7) . ?
Co4 O31 2.072(7) . ?
Co4 O25 2.104(7) . ?
Co5 O22 1.959(7) . ?
Co5 O48 2.029(7) . ?
Co5 O6 2.048(7) . ?
Co5 O31 2.082(7) . ?
Co5 O24 2.109(7) . ?
Co6 O50 1.954(7) . ?
Co6 O17 2.031(7) . ?
Co6 O42 2.048(7) . ?
Co6 O33 2.059(7) . ?
Co6 O23 2.091(7) . ?
O1 C51 1.339(13) . ?
O2 C1 1.333(16) . ?
O3 C11 1.36(2) . ?
O4 C21 1.389(19) . ?
O5 C31 1.379(15) . ?
O6 C41 1.356(14) . ?
O7 C59 1.367(13) . ?
O8 C240 1.453(13) . ?
O9 C89 1.330(15) . ?
O10 C100 1.324(16) . ?
O11 C109 1.355(16) . ?
O12 C79 1.381(14) . ?
O13 C226 1.348(13) . ?
O14 C216 1.372(13) . ?
O15 C129 1.338(14) . ?
O16 C119 1.380(14) . ?
O17 C205 1.358(13) . ?
O18 C141 1.371(14) . ?
O19 C152 1.357(14) . ?
O20 C163 1.359(15) . ?
O21 C173 1.329(16) . ?
O22 C243 1.445(13) . ?
O23 C241 1.273(12) . ?
O24 C241 1.274(12) . ?
O25 C241 1.278(12) . ?
O26 C296 1.09(5) . ?
O28 C285 1.198(19) . ?
O29 C246 1.26(2) . ?
O30 C289 1.228(16) . ?
O31 C253 1.407(14) . ?
O32 C255 1.437(15) . ?
O33 C254 1.447(13) . ?
O34 C257 1.333(18) . ?
O35 C302 1.34(3) . ?
O36 C259 1.258(17) . ?
O37 C259 1.279(16) . ?
O38 C261 1.309(18) . ?
O39 C261 1.242(17) . ?
O40 C184 1.360(13) . ?
O41 C139 1.112(18) . ?
O42 C194 1.366(12) . ?
O44 C501 1.38(3) . ?
O46 C295 1.202(19) . ?
O47 C277 1.383(18) . ?
O48 C68 1.358(13) . ?
O50 C242 1.402(13) . ?
N1 C312 1.441(10) . ?
N1 C310 1.52(4) . ?
N1 C317 1.53(4) . ?
N2 C296 1.19(5) . ?
N2 C307 1.460(10) . ?
N2 C298 1.462(10) . ?
N3 C295 1.31(2) . ?
N3 C299 1.42(2) . ?
N3 C294 1.44(2) . ?
N4 C285 1.27(2) . ?
N4 C319 1.45(2) . ?
N4 C288 1.45(2) . ?
N5 C246 1.27(2) . ?
N5 C249 1.42(2) . ?
N5 C247 1.46(2) . ?
N6 C139 1.28(2) . ?
N6 C251 1.37(2) . ?
N6 C252 1.43(2) . ?
N7 C289 1.288(17) . ?
N7 C291 1.44(2) . ?
N7 C292 1.482(19) . ?
C1 C2 1.39(2) . ?
C1 C6 1.41(2) . ?
C2 C3 1.37(2) . ?
C2 C49 1.510(19) . ?
C3 C4 1.39(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.40(3) . ?
C4 C237 1.539(10) . ?
C5 C6 1.39(3) . ?
C5 H5A 0.9500 . ?
C6 C263 1.50(2) . ?
C11 C16 1.38(3) . ?
C11 C12 1.40(2) . ?
C12 C13 1.37(3) . ?
C12 C263 1.47(3) . ?
C13 C14 1.43(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.39(3) . ?
C14 C264 1.553(10) . ?
C15 C16 1.42(3) . ?
C15 H15A 0.9500 . ?
C16 C244 1.54(3) . ?
C21 C26 1.34(2) . ?
C21 C22 1.41(2) . ?
C22 C23 1.43(2) . ?
C22 C244 1.50(3) . ?
C23 C24 1.38(2) . ?
C23 H23A 0.9500 . ?
C24 C25 1.31(2) . ?
C24 C27 1.537(10) . ?
C25 C26 1.41(2) . ?
C25 H25A 0.9500 . ?
C26 C256 1.55(2) . ?
C27 C270 1.532(10) . ?
C27 C28 1.535(10) . ?
C27 C29 1.539(10) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C31 C32 1.369(18) . ?
C31 C36 1.410(18) . ?
C32 C33 1.385(18) . ?
C32 C305 1.506(18) . ?
C33 C34 1.35(2) . ?
C33 H33A 0.9500 . ?
C34 C35 1.36(2) . ?
C34 C37 1.536(10) . ?
C35 C36 1.41(2) . ?
C35 H35A 0.9500 . ?
C36 C256 1.51(2) . ?
C37 C271 1.47(3) . ?
C37 C40 1.526(10) . ?
C37 C38 1.531(10) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C47 1.52(3) . ?
C39 C272 1.529(10) . ?
C39 C48 1.533(10) . ?
C39 C44 1.542(9) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C46 1.394(17) . ?
C41 C42 1.399(17) . ?
C42 C43 1.431(18) . ?
C42 C305 1.520(18) . ?
C43 C44 1.353(19) . ?
C43 H43A 0.9500 . ?
C44 C45 1.380(19) . ?
C45 C46 1.392(17) . ?
C45 H45A 0.9500 . ?
C46 C78 1.494(16) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.536(18) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C55 1.336(17) . ?
C50 C51 1.429(17) . ?
C51 C52 1.429(18) . ?
C52 C53 1.391(18) . ?
C52 C58 1.516(18) . ?
C53 C54 1.379(19) . ?
C53 H53A 0.9500 . ?
C54 C55 1.444(19) . ?
C54 C56 1.50(2) . ?
C55 H55A 0.9500 . ?
C56 C267 1.49(2) . ?
C56 C286 1.54(3) . ?
C56 C268 1.56(4) . ?
C56 C68' 1.60(5) . ?
C58 C64 1.488(17) . ?
C58 H58A 0.9500 . ?
C59 C64 1.403(16) . ?
C59 C60 1.407(16) . ?
C60 C61 1.346(17) . ?
C60 C69 1.529(16) . ?
C61 C62 1.42(2) . ?
C61 H61A 0.9500 . ?
C62 C63 1.37(2) . ?
C62 C65 1.549(10) . ?
C63 C64 1.373(18) . ?
C63 H63A 0.9500 . ?
C65 C67 1.530(10) . ?
C65 C69' 1.533(10) . ?
C65 C66 1.539(7) . ?
C65 C269 1.542(10) . ?
C65 C66' 1.544(10) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 C7 1.380(16) . ?
C68 C70 1.388(16) . ?
C69 C70 1.502(16) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.385(17) . ?
C71 C72 1.383(18) . ?
C71 H71A 0.9500 . ?
C72 C73 1.395(18) . ?
C72 C74 1.536(9) . ?
C73 C7 1.386(17) . ?
C73 H73A 0.9500 . ?
C74 C77 1.537(10) . ?
C74 C75 1.542(10) . ?
C74 C76 1.543(10) . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C7 C78 1.525(16) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C80 1.372(17) . ?
C79 C84 1.401(17) . ?
C80 C81 1.390(17) . ?
C80 C232 1.523(17) . ?
C81 C82 1.392(19) . ?
C81 H81A 0.9500 . ?
C82 C83 1.355(18) . ?
C82 C140 1.541(9) . ?
C83 C84 1.414(17) . ?
C83 H83A 0.9500 . ?
C84 C88 1.519(18) . ?
C85 C140 1.529(10) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 C140 1.543(10) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C86' C140 1.542(11) . ?
C86' H86D 0.9800 . ?
C86' H86E 0.9800 . ?
C86' H86F 0.9800 . ?
C87 C140 1.526(10) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 C91 1.521(18) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C91 1.394(18) . ?
C89 C94 1.427(18) . ?
C90 C91 1.400(19) . ?
C90 C92 1.40(2) . ?
C90 H90A 0.9500 . ?
C92 C93 1.40(2) . ?
C92 C95 1.54(2) . ?
C93 C94 1.337(19) . ?
C93 H93A 0.9500 . ?
C94 C99 1.492(19) . ?
C95 C97 1.530(10) . ?
C95 C96 1.534(10) . ?
C95 C98 1.538(10) . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 C103 1.492(19) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 C103 1.368(19) . ?
C100 C105 1.399(19) . ?
C101 C102 1.38(2) . ?
C101 C103 1.42(2) . ?
C101 H10A 0.9500 . ?
C102 C104 1.39(2) . ?
C102 C106 1.542(10) . ?
C104 C105 1.41(2) . ?
C104 H10B 0.9500 . ?
C105 C108 1.508(19) . ?
C106 C107 1.528(10) . ?
C106 C284 1.534(7) . ?
C106 C283 1.543(10) . ?
C107 H10C 0.9800 . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C108 C110 1.50(2) . ?
C108 H10F 0.9900 . ?
C108 H10G 0.9900 . ?
C109 C110 1.387(19) . ?
C109 C114 1.415(19) . ?
C110 C111 1.41(2) . ?
C111 C112 1.34(2) . ?
C111 H11A 0.9500 . ?
C112 C113 1.44(2) . ?
C112 C115 1.541(10) . ?
C113 C114 1.384(19) . ?
C113 H11B 0.9500 . ?
C114 C245 1.512(18) . ?
C115 C116 1.529(10) . ?
C115 C118 1.530(10) . ?
C115 C117 1.538(10) . ?
C116 H11C 0.9800 . ?
C116 H11D 0.9800 . ?
C116 H11E 0.9800 . ?
C117 H11F 0.9800 . ?
C117 H11G 0.9800 . ?
C117 H11H 0.9800 . ?
C118 H11I 0.9800 . ?
C118 H11J 0.9800 . ?
C118 H11K 0.9800 . ?
C119 C124 1.393(18) . ?
C119 C120 1.412(18) . ?
C120 C122 1.40(2) . ?
C120 C245 1.521(19) . ?
C121 C123 1.338(19) . ?
C121 C122 1.40(2) . ?
C121 C125 1.538(9) . ?
C122 H12A 0.9500 . ?
C123 C124 1.421(18) . ?
C123 H12B 0.9500 . ?
C124 C300 1.492(18) . ?
C125 C127 1.533(10) . ?
C125 C126 1.537(10) . ?
C125 C128 1.540(10) . ?
C126 H12C 0.9800 . ?
C126 H12D 0.9800 . ?
C126 H12E 0.9800 . ?
C127 H12F 0.9800 . ?
C127 H12G 0.9800 . ?
C127 H12H 0.9800 . ?
C128 H12I 0.9800 . ?
C128 H12J 0.9800 . ?
C128 H12K 0.9800 . ?
C129 C134 1.376(17) . ?
C129 C130 1.434(17) . ?
C130 C131 1.375(19) . ?
C130 C300 1.531(18) . ?
C131 C132 1.37(2) . ?
C131 H13B 0.9500 . ?
C132 C133 1.38(2) . ?
C132 C135 1.544(10) . ?
C133 C134 1.386(19) . ?
C133 H13C 0.9500 . ?
C134 C215 1.538(17) . ?
C135 C138 1.534(10) . ?
C135 C137 1.536(10) . ?
C135 C136 1.549(10) . ?
C136 H13D 0.9800 . ?
C136 H13E 0.9800 . ?
C136 H13F 0.9800 . ?
C137 H13G 0.9800 . ?
C137 H13H 0.9800 . ?
C137 H13I 0.9800 . ?
C138 H13J 0.9800 . ?
C138 H13K 0.9800 . ?
C138 H13L 0.9800 . ?
C141 C142 1.381(17) . ?
C141 C146 1.390(17) . ?
C142 C143 1.408(18) . ?
C142 C214 1.519(17) . ?
C143 C144 1.40(2) . ?
C143 H14A 0.9500 . ?
C144 C145 1.32(2) . ?
C144 C147 1.545(10) . ?
C145 C146 1.410(19) . ?
C145 H14B 0.9500 . ?
C146 C151 1.526(19) . ?
C147 C148 1.530(10) . ?
C147 C50' 1.533(10) . ?
C147 C150 1.539(10) . ?
C147 C149 1.541(10) . ?
C147 C49' 1.541(10) . ?
C148 H14C 0.9800 . ?
C148 H14D 0.9800 . ?
C148 H14E 0.9800 . ?
C149 H14F 0.9800 . ?
C149 H14G 0.9800 . ?
C149 H14H 0.9800 . ?
C150 H50S 0.9800 . ?
C150 H50T 0.9800 . ?
C150 H50R 0.9800 . ?
C49' H49C 0.9800 . ?
C49' H49D 0.9800 . ?
C49' H49E 0.9800 . ?
C50' H50A 0.9800 . ?
C50' H50B 0.9800 . ?
C50' H50C 0.9800 . ?
C151 C153 1.529(18) . ?
C151 H15E 0.9900 . ?
C151 H15F 0.9900 . ?
C152 C153 1.379(17) . ?
C152 C157 1.409(17) . ?
C153 C154 1.426(18) . ?
C154 C155 1.391(19) . ?
C154 H15G 0.9500 . ?
C155 C156 1.376(19) . ?
C155 C158 1.541(19) . ?
C156 C157 1.371(18) . ?
C156 H15H 0.9500 . ?
C157 C162 1.521(18) . ?
C158 C161 1.529(10) . ?
C158 C159 1.532(10) . ?
C158 C160 1.538(9) . ?
C159 H15I 0.9800 . ?
C159 H15J 0.9800 . ?
C159 H15K 0.9800 . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C161 H16D 0.9800 . ?
C161 H16E 0.9800 . ?
C161 H16F 0.9800 . ?
C162 C164 1.502(18) . ?
C162 H16G 0.9900 . ?
C162 H16H 0.9900 . ?
C163 C164 1.388(19) . ?
C163 C168 1.406(18) . ?
C164 C165 1.405(18) . ?
C165 C166 1.405(19) . ?
C165 H16I 0.9500 . ?
C166 C167 1.35(2) . ?
C166 C169 1.54(2) . ?
C167 C168 1.384(19) . ?
C167 H16J 0.9500 . ?
C168 C273 1.510(19) . ?
C169 C172 1.526(10) . ?
C169 C171 1.530(10) . ?
C169 C170 1.538(10) . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C172 H17G 0.9800 . ?
C172 H17H 0.9800 . ?
C172 H17I 0.9800 . ?
C173 C178 1.381(18) . ?
C173 C174 1.40(2) . ?
C174 C175 1.40(2) . ?
C174 C282 1.53(2) . ?
C175 C176 1.42(2) . ?
C175 H17J 0.9500 . ?
C176 C177 1.40(2) . ?
C176 C179 1.542(10) . ?
C177 C178 1.413(19) . ?
C177 H17K 0.9500 . ?
C178 C183 1.528(17) . ?
C179 C181 1.532(10) . ?
C179 C182 1.538(10) . ?
C179 C180 1.541(10) . ?
C180 H18A 0.9800 . ?
C180 H18B 0.9800 . ?
C180 H18C 0.9800 . ?
C181 H18D 0.9800 . ?
C181 H18E 0.9800 . ?
C181 H18F 0.9800 . ?
C182 H18G 0.9800 . ?
C182 H18H 0.9800 . ?
C182 H18I 0.9800 . ?
C183 C189 1.484(17) . ?
C183 H18J 0.9900 . ?
C183 H18K 0.9900 . ?
C184 C189 1.385(16) . ?
C184 C185 1.414(16) . ?
C185 C186 1.377(16) . ?
C185 C193 1.528(16) . ?
C186 C187 1.424(17) . ?
C186 H18L 0.9500 . ?
C187 C188 1.343(17) . ?
C187 C190 1.547(9) . ?
C188 C189 1.397(17) . ?
C188 H18M 0.9500 . ?
C190 C06' 1.537(10) . ?
C190 C91' 1.545(10) . ?
C190 C192 1.548(9) . ?
C190 C306 1.551(7) . ?
C190 C92' 1.551(10) . ?
C190 C191 1.554(7) . ?
C191 H19A 0.9800 . ?
C191 H19B 0.9800 . ?
C191 H19C 0.9800 . ?
C192 H19D 0.9800 . ?
C192 H19E 0.9800 . ?
C192 H19F 0.9800 . ?
C306 H30A 0.9800 . ?
C306 H30B 0.9800 . ?
C306 H30C 0.9800 . ?
C91' H91A 0.9800 . ?
C91' H91B 0.9800 . ?
C91' H91C 0.9800 . ?
C92' H92A 0.9800 . ?
C92' H92B 0.9800 . ?
C92' H92C 0.9800 . ?
C06' H06A 0.9800 . ?
C06' H06B 0.9800 . ?
C06' H06C 0.9800 . ?
C193 C195 1.529(15) . ?
C193 H19G 0.9900 . ?
C193 H19H 0.9900 . ?
C194 C199 1.378(15) . ?
C194 C195 1.390(15) . ?
C195 C196 1.362(15) . ?
C196 C197 1.393(16) . ?
C196 H19I 0.9500 . ?
C197 C198 1.394(16) . ?
C197 C200 1.536(16) . ?
C198 C199 1.390(15) . ?
C198 H19J 0.9500 . ?
C199 C204 1.522(15) . ?
C200 C201 1.497(17) . ?
C200 C203 1.532(9) . ?
C200 C202 1.536(9) . ?
C201 H20A 0.9800 . ?
C201 H20B 0.9800 . ?
C201 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C202 H20F 0.9800 . ?
C203 H20G 0.9800 . ?
C203 H20H 0.9800 . ?
C203 H20I 0.9800 . ?
C204 C206 1.502(16) . ?
C204 H20J 0.9900 . ?
C204 H20K 0.9900 . ?
C205 C210 1.376(16) . ?
C205 C206 1.396(16) . ?
C206 C207 1.386(17) . ?
C207 C208 1.393(18) . ?
C207 H20L 0.9500 . ?
C208 C209 1.381(18) . ?
C208 C211 1.536(9) . ?
C209 C210 1.408(17) . ?
C209 H20M 0.9500 . ?
C210 C214 1.515(17) . ?
C211 C308 1.52(3) . ?
C211 C213 1.525(10) . ?
C211 C212 1.536(10) . ?
C212 H21A 0.9800 . ?
C212 H21B 0.9800 . ?
C212 H21C 0.9800 . ?
C213 H21D 0.9800 . ?
C213 H21E 0.9800 . ?
C213 H21F 0.9800 . ?
C214 H21G 0.9900 . ?
C214 H21H 0.9900 . ?
C215 C217 1.502(16) . ?
C215 H21I 0.9900 . ?
C215 H21J 0.9900 . ?
C216 C217 1.385(16) . ?
C216 C221 1.398(16) . ?
C217 C218 1.398(17) . ?
C218 C219 1.394(18) . ?
C218 H21K 0.9500 . ?
C219 C220 1.390(18) . ?
C219 C222 1.52(2) . ?
C220 C221 1.369(17) . ?
C220 H22A 0.9500 . ?
C221 C225 1.511(16) . ?
C222 C316 1.48(3) . ?
C222 C223 1.527(10) . ?
C222 C224 1.529(10) . ?
C223 H22B 0.9800 . ?
C223 H22C 0.9800 . ?
C223 H22D 0.9800 . ?
C224 H22E 0.9800 . ?
C224 H22F 0.9800 . ?
C224 H22G 0.9800 . ?
C225 C227 1.523(15) . ?
C225 H22H 0.9900 . ?
C225 H22I 0.9900 . ?
C226 C231 1.401(15) . ?
C226 C227 1.405(15) . ?
C227 C228 1.379(16) . ?
C228 C229 1.399(16) . ?
C228 H22J 0.9500 . ?
C229 C230 1.365(16) . ?
C229 C233 1.540(7) . ?
C230 C231 1.380(16) . ?
C230 H23B 0.9500 . ?
C231 C232 1.526(16) . ?
C232 H23C 0.9500 . ?
C233 C234 1.519(9) . ?
C233 C236 1.527(9) . ?
C233 C235 1.533(9) . ?
C234 H23D 0.9800 . ?
C234 H23E 0.9800 . ?
C234 H23F 0.9800 . ?
C235 H23G 0.9800 . ?
C235 H23H 0.9800 . ?
C235 H23I 0.9800 . ?
C236 H23J 0.9800 . ?
C236 H23K 0.9800 . ?
C236 H23L 0.9800 . ?
C237 C238 1.531(10) . ?
C237 C311 1.534(10) . ?
C237 C239 1.543(10) . ?
C237 C39' 1.543(10) . ?
C238 C39' 1.76(5) . ?
C238 H23M 0.9800 . ?
C238 H23N 0.9800 . ?
C238 H23O 0.9800 . ?
C239 H23P 0.9800 . ?
C239 H23Q 0.9800 . ?
C239 H23R 0.9800 . ?
C39' H39A 0.9800 . ?
C39' H39B 0.9800 . ?
C39' H39C 0.9800 . ?
C240 H24A 0.9800 . ?
C240 H24B 0.9800 . ?
C240 H24C 0.9800 . ?
C242 H24D 0.9800 . ?
C242 H24E 0.9800 . ?
C242 H24F 0.9800 . ?
C243 H24G 0.9800 . ?
C243 H24H 0.9800 . ?
C243 H24I 0.9800 . ?
C244 H24J 0.9900 . ?
C244 H24K 0.9900 . ?
C245 H24L 0.9900 . ?
C245 H24M 0.9900 . ?
C247 H24N 0.9800 . ?
C247 H24O 0.9800 . ?
C247 H24P 0.9800 . ?
C249 H24Q 0.9800 . ?
C249 H24R 0.9800 . ?
C249 H24S 0.9800 . ?
C251 H25B 0.9800 . ?
C251 H25C 0.9800 . ?
C251 H25D 0.9800 . ?
C252 H25E 0.9800 . ?
C252 H25F 0.9800 . ?
C252 H25G 0.9800 . ?
C253 H25H 0.9800 . ?
C253 H25I 0.9800 . ?
C253 H25J 0.9800 . ?
C254 H25K 0.9800 . ?
C254 H25L 0.9800 . ?
C254 H25M 0.9800 . ?
C255 H25N 0.9800 . ?
C255 H25O 0.9800 . ?
C255 H25P 0.9800 . ?
C256 H25Q 0.9900 . ?
C256 H25R 0.9900 . ?
C257 H25S 0.9800 . ?
C257 H25T 0.9800 . ?
C257 H25U 0.9800 . ?
C259 C260 1.49(2) . ?
C260 H26A 0.9800 . ?
C260 H26B 0.9800 . ?
C260 H26C 0.9800 . ?
C261 C262 1.51(2) . ?
C262 H26D 0.9800 . ?
C262 H26E 0.9800 . ?
C262 H26F 0.9800 . ?
C263 H26G 0.9900 . ?
C263 H26H 0.9900 . ?
C264 C266 1.533(10) . ?
C264 C30' 1.542(10) . ?
C264 C301 1.549(10) . ?
C266 H26L 0.9800 . ?
C266 H26M 0.9800 . ?
C266 H26N 0.9800 . ?
C267 H26O 0.9800 . ?
C267 H26P 0.9800 . ?
C267 H26Q 0.9800 . ?
C268 H26R 0.9800 . ?
C268 H26S 0.9800 . ?
C268 H26T 0.9800 . ?
C68' H68A 0.9800 . ?
C68' H68B 0.9800 . ?
C68' H68C 0.9800 . ?
C269 H26U 0.9800 . ?
C269 H26V 0.9800 . ?
C269 H26W 0.9800 . ?
C69' H69C 0.9800 . ?
C69' H69D 0.9800 . ?
C69' H69E 0.9800 . ?
C270 H27A 0.9800 . ?
C270 H27B 0.9800 . ?
C270 H27C 0.9800 . ?
C271 H27D 0.9800 . ?
C271 H27E 0.9800 . ?
C271 H27F 0.9800 . ?
C272 H27G 0.9800 . ?
C272 H27H 0.9800 . ?
C272 H27I 0.9800 . ?
C273 C275 1.51(2) . ?
C273 H27J 0.9900 . ?
C273 H27K 0.9900 . ?
C274 C279 1.38(2) . ?
C274 C276 1.39(2) . ?
C274 C280 1.533(10) . ?
C275 C277 1.36(2) . ?
C275 C276 1.38(2) . ?
C276 H27L 0.9500 . ?
C277 C278 1.38(2) . ?
C278 C279 1.42(2) . ?
C278 C282 1.55(2) . ?
C279 H27M 0.9500 . ?
C280 C281 1.43(4) . ?
C280 C304 1.530(10) . ?
C280 C303 1.538(10) . ?
C281 H28D 0.9800 . ?
C281 H28E 0.9800 . ?
C281 H28F 0.9800 . ?
C282 H28G 0.9900 . ?
C282 H28H 0.9900 . ?
C283 H28I 0.9800 . ?
C283 H28J 0.9800 . ?
C283 H28K 0.9800 . ?
C284 H28L 0.9800 . ?
C284 H28M 0.9800 . ?
C284 H28N 0.9800 . ?
C288 H28R 0.9800 . ?
C288 H28S 0.9800 . ?
C288 H28T 0.9800 . ?
C286 H28O 0.9800 . ?
C286 H28P 0.9800 . ?
C286 H28Q 0.9800 . ?
C289 H28U 0.9500 . ?
C291 H29D 0.9800 . ?
C291 H29E 0.9800 . ?
C291 H29F 0.9800 . ?
C292 H29G 0.9800 . ?
C292 H29H 0.9800 . ?
C292 H29I 0.9800 . ?
C294 H29J 0.9800 . ?
C294 H29K 0.9800 . ?
C294 H29L 0.9800 . ?
C298 H29M 0.9800 . ?
C298 H29N 0.9800 . ?
C298 H29O 0.9800 . ?
C299 H29P 0.9800 . ?
C299 H29Q 0.9800 . ?
C299 H29R 0.9800 . ?
C300 H30D 0.9900 . ?
C300 H30E 0.9900 . ?
C301 H30F 0.9800 . ?
C301 H30G 0.9800 . ?
C301 H30H 0.9800 . ?
C302 H30I 0.9800 . ?
C302 H30J 0.9800 . ?
C302 H30K 0.9800 . ?
C303 H60R 0.9800 . ?
C303 H60S 0.9800 . ?
C303 H60T 0.9800 . ?
C304 H30O 0.9800 . ?
C304 H30P 0.9800 . ?
C304 H30Q 0.9800 . ?
C305 H30R 0.9900 . ?
C305 H30S 0.9900 . ?
C307 H30T 0.9800 . ?
C307 H30U 0.9800 . ?
C307 H30V 0.9800 . ?
C308 H30W 0.9800 . ?
C308 H30X 0.9800 . ?
C308 H30Y 0.9800 . ?
C310 C320 1.452(10) . ?
C311 H31A 0.9800 . ?
C311 H31B 0.9800 . ?
C311 H31C 0.9800 . ?
C312 C313 1.49(4) . ?
C312 H31E 0.9900 . ?
C312 H31F 0.9900 . ?
C313 H31G 0.9800 . ?
C313 H31H 0.9800 . ?
C313 H31I 0.9800 . ?
C316 H31J 0.9800 . ?
C316 H31K 0.9800 . ?
C316 H31L 0.9800 . ?
C318 C317 1.538(10) . ?
C318 H31M 0.9800 . ?
C318 H31N 0.9800 . ?
C318 H31O 0.9800 . ?
C317 H31P 0.9900 . ?
C317 H31Q 0.9900 . ?
C320 H32A 0.9800 . ?
C320 H32B 0.9800 . ?
C320 H32C 0.9800 . ?
C319 H32D 0.9800 . ?
C319 H32E 0.9800 . ?
C319 H32F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O19 Dy1 O40 72.0(3) . . ?
O19 Dy1 O33 146.0(3) . . ?
O40 Dy1 O33 93.2(3) . . ?
O19 Dy1 O42 131.7(3) . . ?
O40 Dy1 O42 85.5(3) . . ?
O33 Dy1 O42 74.9(2) . . ?
O19 Dy1 O18 107.7(3) . . ?
O40 Dy1 O18 158.3(3) . . ?
O33 Dy1 O18 75.0(2) . . ?
O42 Dy1 O18 108.2(2) . . ?
O19 Dy1 O28 78.8(4) . . ?
O40 Dy1 O28 119.5(3) . . ?
O33 Dy1 O28 133.8(3) . . ?
O42 Dy1 O28 76.3(3) . . ?
O18 Dy1 O28 80.9(3) . . ?
O19 Dy1 O37 68.7(3) . . ?
O40 Dy1 O37 69.7(3) . . ?
O33 Dy1 O37 77.5(2) . . ?
O42 Dy1 O37 141.4(3) . . ?
O18 Dy1 O37 89.7(3) . . ?
O28 Dy1 O37 141.6(4) . . ?
O19 Dy1 Co6 165.35(19) . . ?
O40 Dy1 Co6 94.93(19) . . ?
O33 Dy1 Co6 37.95(17) . . ?
O42 Dy1 Co6 37.70(17) . . ?
O18 Dy1 Co6 86.86(18) . . ?
O28 Dy1 Co6 103.0(3) . . ?
O37 Dy1 Co6 113.61(19) . . ?
O19 Dy1 Co3 140.86(19) . . ?
O40 Dy1 Co3 130.65(19) . . ?
O33 Dy1 Co3 37.84(17) . . ?
O42 Dy1 Co3 85.82(17) . . ?
O18 Dy1 Co3 38.17(18) . . ?
O28 Dy1 Co3 105.2(3) . . ?
O37 Dy1 Co3 88.57(18) . . ?
Co6 Dy1 Co3 53.16(4) . . ?
O19 Dy1 Dy5 40.13(19) . . ?
O40 Dy1 Dy5 39.71(19) . . ?
O33 Dy1 Dy5 110.52(17) . . ?
O42 Dy1 Dy5 123.99(17) . . ?
O18 Dy1 Dy5 127.38(18) . . ?
O28 Dy1 Dy5 115.4(3) . . ?
O37 Dy1 Dy5 45.44(18) . . ?
Co6 Dy1 Dy5 130.64(4) . . ?
Co3 Dy1 Dy5 133.57(4) . . ?
O1 Dy2 O6 132.2(3) . . ?
O1 Dy2 O46 79.8(3) . . ?
O6 Dy2 O46 75.5(3) . . ?
O1 Dy2 O31 145.8(2) . . ?
O6 Dy2 O31 75.5(2) . . ?
O46 Dy2 O31 132.6(3) . . ?
O1 Dy2 O5 72.6(3) . . ?
O6 Dy2 O5 86.0(3) . . ?
O46 Dy2 O5 120.8(3) . . ?
O31 Dy2 O5 93.6(3) . . ?
O1 Dy2 O7 104.4(3) . . ?
O6 Dy2 O7 110.9(2) . . ?
O46 Dy2 O7 80.6(3) . . ?
O31 Dy2 O7 75.8(2) . . ?
O5 Dy2 O7 156.4(3) . . ?
O1 Dy2 O39 69.9(3) . . ?
O6 Dy2 O39 141.3(3) . . ?
O46 Dy2 O39 143.0(3) . . ?
O31 Dy2 O39 76.1(2) . . ?
O5 Dy2 O39 70.1(3) . . ?
O7 Dy2 O39 86.8(3) . . ?
O1 Dy2 Co4 138.21(19) . . ?
O6 Dy2 Co4 87.73(17) . . ?
O46 Dy2 Co4 104.0(2) . . ?
O31 Dy2 Co4 38.52(18) . . ?
O5 Dy2 Co4 131.35(19) . . ?
O7 Dy2 Co4 38.44(17) . . ?
O39 Dy2 Co4 86.13(19) . . ?
O1 Dy2 Co5 167.32(19) . . ?
O6 Dy2 Co5 37.86(17) . . ?
O46 Dy2 Co5 100.83(19) . . ?
O31 Dy2 Co5 38.75(17) . . ?
O5 Dy2 Co5 96.7(2) . . ?
O7 Dy2 Co5 88.12(17) . . ?
O39 Dy2 Co5 113.47(19) . . ?
Co4 Dy2 Co5 54.19(4) . . ?
O1 Dy2 Dy6 40.45(18) . . ?
O6 Dy2 Dy6 125.42(17) . . ?
O46 Dy2 Dy6 117.09(19) . . ?
O31 Dy2 Dy6 110.28(17) . . ?
O5 Dy2 Dy6 40.5(2) . . ?
O7 Dy2 Dy6 123.32(17) . . ?
O39 Dy2 Dy6 45.54(18) . . ?
Co4 Dy2 Dy6 131.52(4) . . ?
Co5 Dy2 Dy6 132.82(4) . . ?
O11 Dy3 O30 84.3(3) . . ?
O11 Dy3 O34 86.4(3) . . ?
O30 Dy3 O34 142.3(3) . . ?
O11 Dy3 O12 153.4(3) . . ?
O30 Dy3 O12 107.6(3) . . ?
O34 Dy3 O12 69.5(3) . . ?
O11 Dy3 O16 91.8(3) . . ?
O30 Dy3 O16 74.9(3) . . ?
O34 Dy3 O16 69.0(3) . . ?
O12 Dy3 O16 69.5(3) . . ?
O11 Dy3 O35 99.5(3) . . ?
O30 Dy3 O35 142.4(3) . . ?
O34 Dy3 O35 75.3(3) . . ?
O12 Dy3 O35 85.6(3) . . ?
O16 Dy3 O35 141.6(3) . . ?
O11 Dy3 O9 127.1(3) . . ?
O30 Dy3 O9 75.5(3) . . ?
O34 Dy3 O9 136.4(3) . . ?
O12 Dy3 O9 79.5(3) . . ?
O16 Dy3 O9 127.3(3) . . ?
O35 Dy3 O9 72.4(3) . . ?
O11 Dy3 O10 74.0(3) . . ?
O30 Dy3 O10 81.0(3) . . ?
O34 Dy3 O10 130.8(3) . . ?
O12 Dy3 O10 130.5(3) . . ?
O16 Dy3 O10 153.1(3) . . ?
O35 Dy3 O10 64.6(3) . . ?
O9 Dy3 O10 55.0(3) . . ?
O11 Dy3 Dy4 113.7(2) . . ?
O30 Dy3 Dy4 110.5(2) . . ?
O34 Dy3 Dy4 42.46(19) . . ?
O12 Dy3 Dy4 40.09(18) . . ?
O16 Dy3 Dy4 40.62(17) . . ?
O35 Dy3 Dy4 102.1(2) . . ?
O9 Dy3 Dy4 119.17(19) . . ?
O10 Dy3 Dy4 166.2(2) . . ?
O12 Dy4 O16 72.1(3) . . ?
O12 Dy4 O32 147.4(3) . . ?
O16 Dy4 O32 93.9(2) . . ?
O12 Dy4 O13 105.3(3) . . ?
O16 Dy4 O13 157.1(3) . . ?
O32 Dy4 O13 76.1(2) . . ?
O12 Dy4 O41 78.8(4) . . ?
O16 Dy4 O41 121.1(3) . . ?
O32 Dy4 O41 132.2(3) . . ?
O13 Dy4 O41 79.4(3) . . ?
O12 Dy4 O15 133.6(3) . . ?
O16 Dy4 O15 87.9(3) . . ?
O32 Dy4 O15 72.9(2) . . ?
O13 Dy4 O15 108.1(2) . . ?
O41 Dy4 O15 76.8(4) . . ?
O12 Dy4 O34 69.8(3) . . ?
O16 Dy4 O34 69.8(3) . . ?
O32 Dy4 O34 77.8(3) . . ?
O13 Dy4 O34 87.9(3) . . ?
O41 Dy4 O34 141.5(4) . . ?
O15 Dy4 O34 141.6(3) . . ?
O12 Dy4 Co1 138.4(2) . . ?
O16 Dy4 Co1 131.22(19) . . ?
O32 Dy4 Co1 38.40(17) . . ?
O13 Dy4 Co1 38.28(17) . . ?
O41 Dy4 Co1 104.4(3) . . ?
O15 Dy4 Co1 86.01(17) . . ?
O34 Dy4 Co1 86.12(19) . . ?
O12 Dy4 Co2 168.0(2) . . ?
O16 Dy4 Co2 97.87(19) . . ?
O32 Dy4 Co2 36.93(17) . . ?
O13 Dy4 Co2 86.45(18) . . ?
O41 Dy4 Co2 101.7(3) . . ?
O15 Dy4 Co2 37.00(17) . . ?
O34 Dy4 Co2 113.64(19) . . ?
Co1 Dy4 Co2 53.31(4) . . ?
O12 Dy4 Dy3 41.35(19) . . ?
O16 Dy4 Dy3 42.60(19) . . ?
O32 Dy4 Dy3 109.22(16) . . ?
O13 Dy4 Dy3 121.02(18) . . ?
O41 Dy4 Dy3 118.6(3) . . ?
O15 Dy4 Dy3 130.09(17) . . ?
O34 Dy4 Dy3 41.56(19) . . ?
Co1 Dy4 Dy3 127.60(4) . . ?
Co2 Dy4 Dy3 133.55(4) . . ?
O21 Dy5 O20 127.1(3) . . ?
O21 Dy5 O29 84.4(4) . . ?
O20 Dy5 O29 78.2(3) . . ?
O21 Dy5 O40 90.8(3) . . ?
O20 Dy5 O40 135.1(3) . . ?
O29 Dy5 O40 83.4(3) . . ?
O21 Dy5 O19 150.6(3) . . ?
O20 Dy5 O19 80.6(3) . . ?
O29 Dy5 O19 114.3(3) . . ?
O40 Dy5 O19 70.3(3) . . ?
O21 Dy5 O36 84.7(3) . . ?
O20 Dy5 O36 89.5(3) . . ?
O29 Dy5 O36 153.7(3) . . ?
O40 Dy5 O36 120.6(3) . . ?
O19 Dy5 O36 85.9(3) . . ?
O21 Dy5 O37 86.2(3) . . ?
O20 Dy5 O37 129.8(3) . . ?
O29 Dy5 O37 149.1(3) . . ?
O40 Dy5 O37 67.3(3) . . ?
O19 Dy5 O37 66.0(3) . . ?
O36 Dy5 O37 53.3(3) . . ?
O21 Dy5 C259 84.2(4) . . ?
O20 Dy5 C259 110.8(4) . . ?
O29 Dy5 C259 168.4(4) . . ?
O40 Dy5 C259 94.3(4) . . ?
O19 Dy5 C259 75.2(4) . . ?
O36 Dy5 C259 26.3(4) . . ?
O37 Dy5 C259 27.0(3) . . ?
O21 Dy5 Dy1 113.3(2) . . ?
O20 Dy5 Dy1 119.3(2) . . ?
O29 Dy5 Dy1 116.3(2) . . ?
O40 Dy5 Dy1 39.04(19) . . ?
O19 Dy5 Dy1 38.90(17) . . ?
O36 Dy5 Dy1 90.1(2) . . ?
O37 Dy5 Dy1 43.06(19) . . ?
C259 Dy5 Dy1 66.5(3) . . ?
O4 Dy6 O26 85.4(4) . . ?
O4 Dy6 O2 128.0(3) . . ?
O26 Dy6 O2 79.0(4) . . ?
O4 Dy6 O5 89.8(3) . . ?
O26 Dy6 O5 82.7(3) . . ?
O2 Dy6 O5 135.7(3) . . ?
O4 Dy6 O1 149.3(3) . . ?
O26 Dy6 O1 114.5(3) . . ?
O2 Dy6 O1 80.5(3) . . ?
O5 Dy6 O1 71.0(3) . . ?
O4 Dy6 O38 85.2(4) . . ?
O26 Dy6 O38 153.9(4) . . ?
O2 Dy6 O38 87.9(3) . . ?
O5 Dy6 O38 121.5(3) . . ?
O1 Dy6 O38 85.0(3) . . ?
O4 Dy6 O39 84.4(3) . . ?
O26 Dy6 O39 148.3(3) . . ?
O2 Dy6 O39 129.9(3) . . ?
O5 Dy6 O39 67.4(3) . . ?
O1 Dy6 O39 66.4(3) . . ?
O38 Dy6 O39 54.1(3) . . ?
O4 Dy6 C261 82.8(4) . . ?
O26 Dy6 C261 167.7(4) . . ?
O2 Dy6 C261 111.2(4) . . ?
O5 Dy6 C261 93.7(4) . . ?
O1 Dy6 C261 75.1(3) . . ?
O38 Dy6 C261 27.8(4) . . ?
O39 Dy6 C261 26.4(4) . . ?
O4 Dy6 O3 72.3(3) . . ?
O26 Dy6 O3 86.0(4) . . ?
O2 Dy6 O3 57.5(3) . . ?
O5 Dy6 O3 159.6(3) . . ?
O1 Dy6 O3 129.4(3) . . ?
O38 Dy6 O3 68.0(3) . . ?
O39 Dy6 O3 118.9(3) . . ?
C261 Dy6 O3 93.7(4) . . ?
O4 Dy6 Dy2 111.9(2) . . ?
O26 Dy6 Dy2 116.8(3) . . ?
O2 Dy6 Dy2 119.4(2) . . ?
O5 Dy6 Dy2 40.14(19) . . ?
O1 Dy6 Dy2 39.02(18) . . ?
O38 Dy6 Dy2 89.3(2) . . ?
O39 Dy6 Dy2 42.39(18) . . ?
C261 Dy6 Dy2 65.0(3) . . ?
O3 Dy6 Dy2 156.7(3) . . ?
O50 Co1 O14 144.7(3) . . ?
O50 Co1 O13 102.2(3) . . ?
O14 Co1 O13 94.6(3) . . ?
O50 Co1 O32 127.6(3) . . ?
O14 Co1 O32 83.6(3) . . ?
O13 Co1 O32 87.3(3) . . ?
O50 Co1 O23 75.3(3) . . ?
O14 Co1 O23 88.0(3) . . ?
O13 Co1 O23 177.3(3) . . ?
O32 Co1 O23 93.7(3) . . ?
O50 Co1 Co2 153.7(2) . . ?
O14 Co1 Co2 42.39(19) . . ?
O13 Co1 Co2 101.8(2) . . ?
O32 Co1 Co2 43.36(19) . . ?
O23 Co1 Co2 80.6(2) . . ?
O50 Co1 Dy4 130.6(2) . . ?
O14 Co1 Dy4 82.4(2) . . ?
O13 Co1 Dy4 44.1(2) . . ?
O32 Co1 Dy4 43.88(19) . . ?
O23 Co1 Dy4 137.2(2) . . ?
Co2 Co1 Dy4 64.39(5) . . ?
O8 Co2 O14 148.0(3) . . ?
O8 Co2 O15 104.8(3) . . ?
O14 Co2 O15 94.7(3) . . ?
O8 Co2 O32 121.5(3) . . ?
O14 Co2 O32 84.8(3) . . ?
O15 Co2 O32 84.8(3) . . ?
O8 Co2 O25 75.1(3) . . ?
O14 Co2 O25 87.8(3) . . ?
O15 Co2 O25 174.7(3) . . ?
O32 Co2 O25 90.7(3) . . ?
O8 Co2 Co1 149.3(2) . . ?
O14 Co2 Co1 43.2(2) . . ?
O15 Co2 Co1 100.4(2) . . ?
O32 Co2 Co1 43.72(19) . . ?
O25 Co2 Co1 78.2(2) . . ?
O8 Co2 Dy4 130.1(2) . . ?
O14 Co2 Dy4 81.2(2) . . ?
O15 Co2 Dy4 43.7(2) . . ?
O32 Co2 Dy4 42.47(19) . . ?
O25 Co2 Dy4 132.5(2) . . ?
Co1 Co2 Dy4 62.30(5) . . ?
O22 Co3 O17 143.4(3) . . ?
O22 Co3 O33 127.5(3) . . ?
O17 Co3 O33 84.4(3) . . ?
O22 Co3 O18 105.1(3) . . ?
O17 Co3 O18 93.7(3) . . ?
O33 Co3 O18 85.4(3) . . ?
O22 Co3 O24 75.1(3) . . ?
O17 Co3 O24 87.0(3) . . ?
O33 Co3 O24 93.0(3) . . ?
O18 Co3 O24 178.1(3) . . ?
O22 Co3 Co6 151.7(2) . . ?
O17 Co3 Co6 43.1(2) . . ?
O33 Co3 Co6 43.89(19) . . ?
O18 Co3 Co6 101.0(2) . . ?
O24 Co3 Co6 78.4(2) . . ?
O22 Co3 Dy1 134.0(2) . . ?
O17 Co3 Dy1 80.6(2) . . ?
O33 Co3 Dy1 43.17(18) . . ?
O18 Co3 Dy1 43.5(2) . . ?
O24 Co3 Dy1 135.1(2) . . ?
Co6 Co3 Dy1 63.21(4) . . ?
O8 Co4 O48 145.7(3) . . ?
O8 Co4 O7 103.6(3) . . ?
O48 Co4 O7 92.3(3) . . ?
O8 Co4 O31 127.1(3) . . ?
O48 Co4 O31 83.3(3) . . ?
O7 Co4 O31 86.7(3) . . ?
O8 Co4 O25 75.7(3) . . ?
O48 Co4 O25 87.6(3) . . ?
O7 Co4 O25 178.5(3) . . ?
O31 Co4 O25 94.8(3) . . ?
O8 Co4 Dy2 133.3(2) . . ?
O48 Co4 Dy2 78.5(2) . . ?
O7 Co4 Dy2 44.1(2) . . ?
O31 Co4 Dy2 43.96(18) . . ?
O25 Co4 Dy2 137.3(2) . . ?
O22 Co5 O48 149.0(3) . . ?
O22 Co5 O6 104.2(3) . . ?
O48 Co5 O6 92.3(3) . . ?
O22 Co5 O31 123.1(3) . . ?
O48 Co5 O31 83.5(3) . . ?
O6 Co5 O31 86.2(3) . . ?
O22 Co5 O24 75.4(3) . . ?
O48 Co5 O24 88.9(3) . . ?
O6 Co5 O24 178.1(3) . . ?
O31 Co5 O24 92.5(3) . . ?
O22 Co5 Dy2 130.9(2) . . ?
O48 Co5 Dy2 78.7(2) . . ?
O6 Co5 Dy2 43.6(2) . . ?
O31 Co5 Dy2 43.99(19) . . ?
O24 Co5 Dy2 135.4(2) . . ?
O50 Co6 O17 149.4(3) . . ?
O50 Co6 O42 102.9(3) . . ?
O17 Co6 O42 92.6(3) . . ?
O50 Co6 O33 122.4(3) . . ?
O17 Co6 O33 84.5(3) . . ?
O42 Co6 O33 86.1(3) . . ?
O50 Co6 O23 75.7(3) . . ?
O17 Co6 O23 88.8(3) . . ?
O42 Co6 O23 178.6(3) . . ?
O33 Co6 O23 94.5(3) . . ?
O50 Co6 Co3 151.6(2) . . ?
O17 Co6 Co3 43.0(2) . . ?
O42 Co6 Co3 100.7(2) . . ?
O33 Co6 Co3 44.0(2) . . ?
O23 Co6 Co3 80.7(2) . . ?
O50 Co6 Dy1 128.1(2) . . ?
O17 Co6 Dy1 80.9(2) . . ?
O42 Co6 Dy1 43.6(2) . . ?
O33 Co6 Dy1 43.42(18) . . ?
O23 Co6 Dy1 137.2(2) . . ?
Co3 Co6 Dy1 63.63(5) . . ?
C51 O1 Dy2 129.5(6) . . ?
C51 O1 Dy6 129.9(6) . . ?
Dy2 O1 Dy6 100.5(3) . . ?
C1 O2 Dy6 137.2(9) . . ?
C11 O3 Dy6 126.7(11) . . ?
C21 O4 Dy6 134.6(10) . . ?
C31 O5 Dy2 128.9(7) . . ?
C31 O5 Dy6 128.9(7) . . ?
Dy2 O5 Dy6 99.3(3) . . ?
C41 O6 Co5 124.4(7) . . ?
C41 O6 Dy2 135.0(7) . . ?
Co5 O6 Dy2 98.6(3) . . ?
C59 O7 Co4 122.5(6) . . ?
C59 O7 Dy2 138.4(6) . . ?
Co4 O7 Dy2 97.4(3) . . ?
C240 O8 Co2 121.7(6) . . ?
C240 O8 Co4 127.4(6) . . ?
Co2 O8 Co4 109.8(3) . . ?
C89 O9 Dy3 134.7(7) . . ?
C100 O10 Dy3 138.8(8) . . ?
C109 O11 Dy3 131.2(7) . . ?
C79 O12 Dy4 130.1(6) . . ?
C79 O12 Dy3 130.2(6) . . ?
Dy4 O12 Dy3 98.6(3) . . ?
C226 O13 Co1 124.3(6) . . ?
C226 O13 Dy4 136.9(6) . . ?
Co1 O13 Dy4 97.6(3) . . ?
C216 O14 Co2 127.9(7) . . ?
C216 O14 Co1 128.4(6) . . ?
Co2 O14 Co1 94.4(3) . . ?
C129 O15 Co2 125.8(7) . . ?
C129 O15 Dy4 132.3(6) . . ?
Co2 O15 Dy4 99.3(3) . . ?
C119 O16 Dy4 129.1(7) . . ?
C119 O16 Dy3 132.6(6) . . ?
Dy4 O16 Dy3 96.8(3) . . ?
C205 O17 Co3 129.5(7) . . ?
C205 O17 Co6 129.1(6) . . ?
Co3 O17 Co6 94.0(3) . . ?
C141 O18 Co3 125.6(7) . . ?
C141 O18 Dy1 133.6(6) . . ?
Co3 O18 Dy1 98.3(3) . . ?
C152 O19 Dy1 126.6(7) . . ?
C152 O19 Dy5 132.4(7) . . ?
Dy1 O19 Dy5 101.0(3) . . ?
C163 O20 Dy5 135.4(7) . . ?
C173 O21 Dy5 140.4(8) . . ?
C243 O22 Co3 125.9(7) . . ?
C243 O22 Co5 123.5(6) . . ?
Co3 O22 Co5 109.6(3) . . ?
C241 O23 Co6 129.9(7) . . ?
C241 O23 Co1 130.1(7) . . ?
Co6 O23 Co1 99.0(3) . . ?
C241 O24 Co5 130.4(7) . . ?
C241 O24 Co3 131.2(7) . . ?
Co5 O24 Co3 98.3(3) . . ?
C241 O25 Co4 129.6(7) . . ?
C241 O25 Co2 131.5(7) . . ?
Co4 O25 Co2 98.3(3) . . ?
C296 O26 Dy6 155(3) . . ?
C285 O28 Dy1 151.8(13) . . ?
C246 O29 Dy5 142.4(10) . . ?
C289 O30 Dy3 136.3(9) . . ?
C253 O31 Co4 120.6(7) . . ?
C253 O31 Co5 114.9(7) . . ?
Co4 O31 Co5 92.7(3) . . ?
C253 O31 Dy2 126.8(7) . . ?
Co4 O31 Dy2 97.5(3) . . ?
Co5 O31 Dy2 97.3(3) . . ?
C255 O32 Co2 111.7(8) . . ?
C255 O32 Co1 123.6(8) . . ?
Co2 O32 Co1 92.9(3) . . ?
C255 O32 Dy4 124.1(7) . . ?
Co2 O32 Dy4 100.6(3) . . ?
Co1 O32 Dy4 97.7(3) . . ?
C254 O33 Co6 115.6(7) . . ?
C254 O33 Co3 117.5(6) . . ?
Co6 O33 Co3 92.1(3) . . ?
C254 O33 Dy1 127.1(6) . . ?
Co6 O33 Dy1 98.6(3) . . ?
Co3 O33 Dy1 99.0(3) . . ?
C257 O34 Dy3 129.8(9) . . ?
C257 O34 Dy4 133.2(9) . . ?
Dy3 O34 Dy4 96.0(3) . . ?
C302 O35 Dy3 127.5(16) . . ?
C259 O36 Dy5 96.4(8) . . ?
C259 O37 Dy1 144.5(8) . . ?
C259 O37 Dy5 88.6(8) . . ?
Dy1 O37 Dy5 91.5(3) . . ?
C261 O38 Dy6 94.6(8) . . ?
C261 O39 Dy2 143.2(8) . . ?
C261 O39 Dy6 88.8(9) . . ?
Dy2 O39 Dy6 92.1(3) . . ?
C184 O40 Dy1 131.0(6) . . ?
C184 O40 Dy5 126.0(6) . . ?
Dy1 O40 Dy5 101.3(3) . . ?
C139 O41 Dy4 150.9(13) . . ?
C194 O42 Co6 123.0(6) . . ?
C194 O42 Dy1 137.2(6) . . ?
Co6 O42 Dy1 98.7(3) . . ?
C295 O46 Dy2 143.0(11) . . ?
C68 O48 Co5 129.6(7) . . ?
C68 O48 Co4 129.0(7) . . ?
Co5 O48 Co4 95.0(3) . . ?
C242 O50 Co6 125.7(6) . . ?
C242 O50 Co1 124.5(6) . . ?
Co6 O50 Co1 109.2(3) . . ?
C312 N1 C310 103(3) . . ?
C312 N1 C317 110(3) . . ?
C310 N1 C317 113(3) . . ?
C296 N2 C307 115(3) . . ?
C296 N2 C298 128(4) . . ?
C307 N2 C298 117(3) . . ?
C295 N3 C299 119.5(16) . . ?
C295 N3 C294 124.7(17) . . ?
C299 N3 C294 114.7(15) . . ?
C285 N4 C319 121.6(16) . . ?
C285 N4 C288 118.7(16) . . ?
C319 N4 C288 117.6(14) . . ?
C246 N5 C249 122.1(16) . . ?
C246 N5 C247 122.4(15) . . ?
C249 N5 C247 115.1(14) . . ?
C139 N6 C251 127.6(17) . . ?
C139 N6 C252 114.4(15) . . ?
C251 N6 C252 113.3(14) . . ?
C289 N7 C291 120.6(13) . . ?
C289 N7 C292 123.3(15) . . ?
C291 N7 C292 115.9(14) . . ?
O2 C1 C2 121.1(12) . . ?
O2 C1 C6 120.0(15) . . ?
C2 C1 C6 118.9(14) . . ?
C3 C2 C1 120.7(15) . . ?
C3 C2 C49 119.9(15) . . ?
C1 C2 C49 119.3(12) . . ?
C2 C3 C4 122.2(17) . . ?
C2 C3 H3A 118.9 . . ?
C4 C3 H3A 118.9 . . ?
C3 C4 C5 116.9(15) . . ?
C3 C4 C237 119(2) . . ?
C5 C4 C237 124(2) . . ?
C6 C5 C4 122.2(16) . . ?
C6 C5 H5A 118.9 . . ?
C4 C5 H5A 118.9 . . ?
C5 C6 C1 119.1(18) . . ?
C5 C6 C263 118.1(17) . . ?
C1 C6 C263 122.8(16) . . ?
O3 C11 C16 120.2(17) . . ?
O3 C11 C12 117.9(18) . . ?
C16 C11 C12 121.8(18) . . ?
C13 C12 C11 118(2) . . ?
C13 C12 C263 118.1(19) . . ?
C11 C12 C263 123.8(17) . . ?
C12 C13 C14 124(2) . . ?
C12 C13 H13A 118.2 . . ?
C14 C13 H13A 118.2 . . ?
C15 C14 C13 116(2) . . ?
C15 C14 C264 123(2) . . ?
C13 C14 C264 120(2) . . ?
C14 C15 C16 122(2) . . ?
C14 C15 H15A 118.9 . . ?
C16 C15 H15A 118.9 . . ?
C11 C16 C15 118(2) . . ?
C11 C16 C244 120.9(17) . . ?
C15 C16 C244 120.7(19) . . ?
C26 C21 O4 122.0(15) . . ?
C26 C21 C22 119.9(17) . . ?
O4 C21 C22 118.1(17) . . ?
C21 C22 C23 115.8(18) . . ?
C21 C22 C244 120.3(16) . . ?
C23 C22 C244 123.8(16) . . ?
C24 C23 C22 124.8(16) . . ?
C24 C23 H23A 117.6 . . ?
C22 C23 H23A 117.6 . . ?
C25 C24 C23 113.5(16) . . ?
C25 C24 C27 126.3(19) . . ?
C23 C24 C27 119.4(18) . . ?
C24 C25 C26 126.3(19) . . ?
C24 C25 H25A 116.8 . . ?
C26 C25 H25A 116.8 . . ?
C21 C26 C25 118.9(17) . . ?
C21 C26 C256 120.7(16) . . ?
C25 C26 C256 120.4(17) . . ?
C270 C27 C28 115(2) . . ?
C270 C27 C24 109.2(17) . . ?
C28 C27 C24 106.7(18) . . ?
C270 C27 C29 103(2) . . ?
C28 C27 C29 115(3) . . ?
C24 C27 C29 108.2(18) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C32 C31 O5 121.7(11) . . ?
C32 C31 C36 119.2(13) . . ?
O5 C31 C36 119.1(13) . . ?
C31 C32 C33 119.0(12) . . ?
C31 C32 C305 122.1(11) . . ?
C33 C32 C305 118.8(13) . . ?
C34 C33 C32 124.9(14) . . ?
C34 C33 H33A 117.5 . . ?
C32 C33 H33A 117.5 . . ?
C33 C34 C35 115.5(12) . . ?
C33 C34 C37 123.3(16) . . ?
C35 C34 C37 121.2(15) . . ?
C34 C35 C36 124.0(14) . . ?
C34 C35 H35A 118.0 . . ?
C36 C35 H35A 118.0 . . ?
C31 C36 C35 117.3(14) . . ?
C31 C36 C256 122.5(13) . . ?
C35 C36 C256 120.2(14) . . ?
C271 C37 C40 107(2) . . ?
C271 C37 C38 106(2) . . ?
C40 C37 C38 108(2) . . ?
C271 C37 C34 109.0(19) . . ?
C40 C37 C34 114.5(17) . . ?
C38 C37 C34 112.0(16) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C47 C39 C272 109.5(15) . . ?
C47 C39 C48 105.8(16) . . ?
C272 C39 C48 109.3(17) . . ?
C47 C39 C44 112.1(14) . . ?
C272 C39 C44 110.2(13) . . ?
C48 C39 C44 109.8(13) . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O6 C41 C46 121.4(10) . . ?
O6 C41 C42 120.2(12) . . ?
C46 C41 C42 118.3(11) . . ?
C41 C42 C43 119.3(12) . . ?
C41 C42 C305 121.2(11) . . ?
C43 C42 C305 119.4(12) . . ?
C44 C43 C42 122.1(12) . . ?
C44 C43 H43A 118.9 . . ?
C42 C43 H43A 118.9 . . ?
C43 C44 C45 117.5(11) . . ?
C43 C44 C39 122.9(13) . . ?
C45 C44 C39 119.5(13) . . ?
C44 C45 C46 122.8(12) . . ?
C44 C45 H45A 118.6 . . ?
C46 C45 H45A 118.6 . . ?
C45 C46 C41 119.9(11) . . ?
C45 C46 C78 117.3(11) . . ?
C41 C46 C78 122.6(11) . . ?
C39 C47 H47A 109.5 . . ?
C39 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C39 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C39 C48 H48A 109.5 . . ?
C39 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C39 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C2 C49 C50 111.8(11) . . ?
C2 C49 H49A 109.3 . . ?
C50 C49 H49A 109.3 . . ?
C2 C49 H49B 109.3 . . ?
C50 C49 H49B 109.3 . . ?
H49A C49 H49B 107.9 . . ?
C55 C50 C51 122.2(12) . . ?
C55 C50 C49 118.8(12) . . ?
C51 C50 C49 119.0(11) . . ?
O1 C51 C52 121.7(11) . . ?
O1 C51 C50 121.3(11) . . ?
C52 C51 C50 117.0(11) . . ?
C53 C52 C51 119.3(12) . . ?
C53 C52 C58 120.7(13) . . ?
C51 C52 C58 119.8(11) . . ?
C54 C53 C52 123.5(13) . . ?
C54 C53 H53A 118.3 . . ?
C52 C53 H53A 118.3 . . ?
C53 C54 C55 116.5(11) . . ?
C53 C54 C56 123.2(14) . . ?
C55 C54 C56 120.3(14) . . ?
C50 C55 C54 121.6(13) . . ?
C50 C55 H55A 119.2 . . ?
C54 C55 H55A 119.2 . . ?
C267 C56 C54 109.2(14) . . ?
C267 C56 C286 98.3(17) . . ?
C54 C56 C286 108.3(15) . . ?
C267 C56 C268 126.1(19) . . ?
C54 C56 C268 116.0(17) . . ?
C286 C56 C268 94.2(19) . . ?
C267 C56 C68' 84(2) . . ?
C54 C56 C68' 110(2) . . ?
C286 C56 C68' 138(2) . . ?
C64 C58 C52 117.0(11) . . ?
C64 C58 H58A 121.5 . . ?
C52 C58 H58A 121.5 . . ?
O7 C59 C64 120.1(10) . . ?
O7 C59 C60 120.8(10) . . ?
C64 C59 C60 119.1(10) . . ?
C61 C60 C59 120.4(11) . . ?
C61 C60 C69 116.7(11) . . ?
C59 C60 C69 122.6(10) . . ?
C60 C61 C62 122.1(12) . . ?
C60 C61 H61A 119.0 . . ?
C62 C61 H61A 119.0 . . ?
C63 C62 C61 115.5(12) . . ?
C63 C62 C65 125.3(14) . . ?
C61 C62 C65 118.7(14) . . ?
C62 C63 C64 125.0(14) . . ?
C62 C63 H63A 117.5 . . ?
C64 C63 H63A 117.5 . . ?
C63 C64 C59 117.8(12) . . ?
C63 C64 C58 118.6(11) . . ?
C59 C64 C58 123.6(11) . . ?
C67 C65 C69' 129(2) . . ?
C67 C65 C66 137(3) . . ?
C67 C65 C269 94(2) . . ?
C66 C65 C269 89(3) . . ?
C67 C65 C66' 94(3) . . ?
C69' C65 C66' 88(3) . . ?
C67 C65 C62 110.1(14) . . ?
C69' C65 C62 117.3(19) . . ?
C66 C65 C62 110(3) . . ?
C269 C65 C62 106.6(19) . . ?
C66' C65 C62 109(3) . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
O48 C68 C7 119.7(10) . . ?
O48 C68 C70 119.9(10) . . ?
C7 C68 C70 120.4(10) . . ?
C70 C69 C60 112.6(9) . . ?
C70 C69 H69A 109.1 . . ?
C60 C69 H69A 109.1 . . ?
C70 C69 H69B 109.1 . . ?
C60 C69 H69B 109.1 . . ?
H69A C69 H69B 107.8 . . ?
C71 C70 C68 118.6(11) . . ?
C71 C70 C69 118.1(11) . . ?
C68 C70 C69 123.3(10) . . ?
C72 C71 C70 123.5(12) . . ?
C72 C71 H71A 118.3 . . ?
C70 C71 H71A 118.3 . . ?
C71 C72 C73 115.5(10) . . ?
C71 C72 C74 122.7(12) . . ?
C73 C72 C74 121.8(12) . . ?
C7 C73 C72 123.2(12) . . ?
C7 C73 H73A 118.4 . . ?
C72 C73 H73A 118.4 . . ?
C72 C74 C77 107.9(14) . . ?
C72 C74 C75 111.8(12) . . ?
C77 C74 C75 105.6(17) . . ?
C72 C74 C76 111.0(12) . . ?
C77 C74 C76 111.0(17) . . ?
C75 C74 C76 109.4(16) . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C74 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C74 C76 H76A 109.5 . . ?
C74 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C74 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C68 C7 C73 118.7(11) . . ?
C68 C7 C78 124.8(10) . . ?
C73 C7 C78 116.4(11) . . ?
C74 C77 H77A 109.5 . . ?
C74 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C74 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C46 C78 C7 113.0(9) . . ?
C46 C78 H78A 109.0 . . ?
C7 C78 H78A 109.0 . . ?
C46 C78 H78B 109.0 . . ?
C7 C78 H78B 109.0 . . ?
H78A C78 H78B 107.8 . . ?
C80 C79 O12 120.1(11) . . ?
C80 C79 C84 122.6(11) . . ?
O12 C79 C84 117.3(11) . . ?
C79 C80 C81 117.2(12) . . ?
C79 C80 C232 121.5(11) . . ?
C81 C80 C232 121.3(12) . . ?
C80 C81 C82 122.4(12) . . ?
C80 C81 H81A 118.8 . . ?
C82 C81 H81A 118.8 . . ?
C83 C82 C81 119.1(11) . . ?
C83 C82 C140 122.4(13) . . ?
C81 C82 C140 118.6(13) . . ?
C82 C83 C84 121.2(12) . . ?
C82 C83 H83A 119.4 . . ?
C84 C83 H83A 119.4 . . ?
C79 C84 C83 117.4(12) . . ?
C79 C84 C88 121.3(11) . . ?
C83 C84 C88 121.3(11) . . ?
C140 C85 H85A 109.5 . . ?
C140 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C140 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C140 C86 H86A 109.5 . . ?
C140 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C140 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C140 C86' H86D 109.5 . . ?
C140 C86' H86E 109.5 . . ?
H86D C86' H86E 109.5 . . ?
C140 C86' H86F 109.5 . . ?
H86D C86' H86F 109.5 . . ?
H86E C86' H86F 109.5 . . ?
C140 C87 H87A 109.5 . . ?
C140 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C140 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C84 C88 C91 113.0(10) . . ?
C84 C88 H88A 109.0 . . ?
C91 C88 H88A 109.0 . . ?
C84 C88 H88B 109.0 . . ?
C91 C88 H88B 109.0 . . ?
H88A C88 H88B 107.8 . . ?
O9 C89 C91 119.9(12) . . ?
O9 C89 C94 121.3(12) . . ?
C91 C89 C94 118.7(12) . . ?
C91 C90 C92 122.3(15) . . ?
C91 C90 H90A 118.8 . . ?
C92 C90 H90A 118.8 . . ?
C89 C91 C90 118.9(13) . . ?
C89 C91 C88 121.5(11) . . ?
C90 C91 C88 119.4(13) . . ?
C93 C92 C90 116.0(14) . . ?
C93 C92 C95 123.8(15) . . ?
C90 C92 C95 120.2(15) . . ?
C94 C93 C92 123.6(14) . . ?
C94 C93 H93A 118.2 . . ?
C92 C93 H93A 118.2 . . ?
C93 C94 C89 120.0(14) . . ?
C93 C94 C99 119.0(13) . . ?
C89 C94 C99 120.9(12) . . ?
C97 C95 C96 110.3(18) . . ?
C97 C95 C92 109.4(13) . . ?
C96 C95 C92 109.2(14) . . ?
C97 C95 C98 109.0(19) . . ?
C96 C95 C98 108.0(18) . . ?
C92 C95 C98 111.0(16) . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C95 C97 H97A 109.5 . . ?
C95 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C95 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C95 C98 H98A 109.5 . . ?
C95 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C95 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C103 C99 C94 114.8(12) . . ?
C103 C99 H99A 108.6 . . ?
C94 C99 H99A 108.6 . . ?
C103 C99 H99B 108.6 . . ?
C94 C99 H99B 108.6 . . ?
H99A C99 H99B 107.5 . . ?
O10 C100 C103 121.3(13) . . ?
O10 C100 C105 116.6(13) . . ?
C103 C100 C105 122.0(14) . . ?
C102 C101 C103 122.1(14) . . ?
C102 C101 H10A 118.9 . . ?
C103 C101 H10A 118.9 . . ?
C101 C102 C104 116.9(14) . . ?
C101 C102 C106 121.0(15) . . ?
C104 C102 C106 122.0(16) . . ?
C100 C103 C101 118.4(13) . . ?
C100 C103 C99 121.6(13) . . ?
C101 C103 C99 120.0(13) . . ?
C102 C104 C105 123.2(15) . . ?
C102 C104 H10B 118.4 . . ?
C105 C104 H10B 118.4 . . ?
C100 C105 C104 116.8(14) . . ?
C100 C105 C108 122.7(13) . . ?
C104 C105 C108 120.0(13) . . ?
C107 C106 C284 110(2) . . ?
C107 C106 C102 114.1(16) . . ?
C284 C106 C102 108.2(18) . . ?
C107 C106 C283 100(2) . . ?
C284 C106 C283 114(2) . . ?
C102 C106 C283 109.8(16) . . ?
C106 C107 H10C 109.5 . . ?
C106 C107 H10D 109.5 . . ?
H10C C107 H10D 109.5 . . ?
C106 C107 H10E 109.5 . . ?
H10C C107 H10E 109.5 . . ?
H10D C107 H10E 109.5 . . ?
C110 C108 C105 111.2(12) . . ?
C110 C108 H10F 109.4 . . ?
C105 C108 H10F 109.4 . . ?
C110 C108 H10G 109.4 . . ?
C105 C108 H10G 109.4 . . ?
H10F C108 H10G 108.0 . . ?
O11 C109 C110 119.5(14) . . ?
O11 C109 C114 120.2(12) . . ?
C110 C109 C114 120.3(14) . . ?
C109 C110 C111 117.4(15) . . ?
C109 C110 C108 124.1(14) . . ?
C111 C110 C108 118.6(14) . . ?
C112 C111 C110 125.3(15) . . ?
C112 C111 H11A 117.4 . . ?
C110 C111 H11A 117.4 . . ?
C111 C112 C113 115.9(13) . . ?
C111 C112 C115 127.8(16) . . ?
C113 C112 C115 116.2(16) . . ?
C114 C113 C112 121.5(15) . . ?
C114 C113 H11B 119.2 . . ?
C112 C113 H11B 119.2 . . ?
C113 C114 C109 119.3(13) . . ?
C113 C114 C245 121.5(14) . . ?
C109 C114 C245 119.2(12) . . ?
C116 C115 C118 107.6(18) . . ?
C116 C115 C117 105(2) . . ?
C118 C115 C117 104(2) . . ?
C116 C115 C112 112.6(17) . . ?
C118 C115 C112 112.3(15) . . ?
C117 C115 C112 114.0(16) . . ?
C115 C116 H11C 109.5 . . ?
C115 C116 H11D 109.5 . . ?
H11C C116 H11D 109.5 . . ?
C115 C116 H11E 109.5 . . ?
H11C C116 H11E 109.5 . . ?
H11D C116 H11E 109.5 . . ?
C115 C117 H11F 109.5 . . ?
C115 C117 H11G 109.5 . . ?
H11F C117 H11G 109.5 . . ?
C115 C117 H11H 109.5 . . ?
H11F C117 H11H 109.5 . . ?
H11G C117 H11H 109.5 . . ?
C115 C118 H11I 109.5 . . ?
C115 C118 H11J 109.5 . . ?
H11I C118 H11J 109.5 . . ?
C115 C118 H11K 109.5 . . ?
H11I C118 H11K 109.5 . . ?
H11J C118 H11K 109.5 . . ?
O16 C119 C124 120.0(11) . . ?
O16 C119 C120 119.5(12) . . ?
C124 C119 C120 120.5(11) . . ?
C122 C120 C119 116.6(14) . . ?
C122 C120 C245 122.5(13) . . ?
C119 C120 C245 120.9(12) . . ?
C123 C121 C122 117.5(11) . . ?
C123 C121 C125 123.3(16) . . ?
C122 C121 C125 119.1(15) . . ?
C121 C122 C120 123.8(13) . . ?
C121 C122 H12A 118.1 . . ?
C120 C122 H12A 118.1 . . ?
C121 C123 C124 122.5(13) . . ?
C121 C123 H12B 118.8 . . ?
C124 C123 H12B 118.8 . . ?
C119 C124 C123 119.1(12) . . ?
C119 C124 C300 122.5(11) . . ?
C123 C124 C300 118.3(13) . . ?
C127 C125 C126 109.3(17) . . ?
C127 C125 C121 108.2(13) . . ?
C126 C125 C121 108.5(13) . . ?
C127 C125 C128 103.4(16) . . ?
C126 C125 C128 113(2) . . ?
C121 C125 C128 114.7(14) . . ?
C125 C126 H12C 109.5 . . ?
C125 C126 H12D 109.5 . . ?
H12C C126 H12D 109.5 . . ?
C125 C126 H12E 109.5 . . ?
H12C C126 H12E 109.5 . . ?
H12D C126 H12E 109.5 . . ?
C125 C127 H12F 109.5 . . ?
C125 C127 H12G 109.5 . . ?
H12F C127 H12G 109.5 . . ?
C125 C127 H12H 109.5 . . ?
H12F C127 H12H 109.5 . . ?
H12G C127 H12H 109.5 . . ?
C125 C128 H12I 109.5 . . ?
C125 C128 H12J 109.5 . . ?
H12I C128 H12J 109.5 . . ?
C125 C128 H12K 109.5 . . ?
H12I C128 H12K 109.5 . . ?
H12J C128 H12K 109.5 . . ?
O15 C129 C134 123.0(11) . . ?
O15 C129 C130 119.5(11) . . ?
C134 C129 C130 117.5(12) . . ?
C131 C130 C129 118.8(12) . . ?
C131 C130 C300 120.6(12) . . ?
C129 C130 C300 120.5(11) . . ?
C132 C131 C130 122.8(14) . . ?
C132 C131 H13B 118.6 . . ?
C130 C131 H13B 118.6 . . ?
C131 C132 C133 118.5(14) . . ?
C131 C132 C135 121.5(18) . . ?
C133 C132 C135 120.0(18) . . ?
C132 C133 C134 120.5(14) . . ?
C132 C133 H13C 119.7 . . ?
C134 C133 H13C 119.7 . . ?
C129 C134 C133 121.7(12) . . ?
C129 C134 C215 122.1(11) . . ?
C133 C134 C215 115.9(11) . . ?
C138 C135 C137 135(2) . . ?
C138 C135 C132 112(2) . . ?
C137 C135 C132 111.6(18) . . ?
C138 C135 C136 89(3) . . ?
C137 C135 C136 95(3) . . ?
C132 C135 C136 99(3) . . ?
C135 C136 H13D 109.5 . . ?
C135 C136 H13E 109.5 . . ?
H13D C136 H13E 109.5 . . ?
C135 C136 H13F 109.5 . . ?
H13D C136 H13F 109.5 . . ?
H13E C136 H13F 109.5 . . ?
C135 C137 H13G 109.5 . . ?
C135 C137 H13H 109.5 . . ?
H13G C137 H13H 109.5 . . ?
C135 C137 H13I 109.5 . . ?
H13G C137 H13I 109.5 . . ?
H13H C137 H13I 109.5 . . ?
C135 C138 H13J 109.5 . . ?
C135 C138 H13K 109.5 . . ?
H13J C138 H13K 109.5 . . ?
C135 C138 H13L 109.5 . . ?
H13J C138 H13L 109.5 . . ?
H13K C138 H13L 109.5 . . ?
O41 C139 N6 135(2) . . ?
C87 C140 C85 116.7(17) . . ?
C87 C140 C82 112.0(13) . . ?
C85 C140 C82 111.5(12) . . ?
C87 C140 C86' 134(4) . . ?
C85 C140 C86' 60.5(5) . . ?
C82 C140 C86' 110(4) . . ?
C87 C140 C86 98.5(18) . . ?
C85 C140 C86 105.3(18) . . ?
C82 C140 C86 111.9(16) . . ?
O18 C141 C142 119.7(10) . . ?
O18 C141 C146 120.7(11) . . ?
C142 C141 C146 119.6(11) . . ?
C141 C142 C143 119.6(12) . . ?
C141 C142 C214 125.0(11) . . ?
C143 C142 C214 115.3(12) . . ?
C144 C143 C142 121.5(13) . . ?
C144 C143 H14A 119.3 . . ?
C142 C143 H14A 119.3 . . ?
C145 C144 C143 116.2(12) . . ?
C145 C144 C147 124.3(16) . . ?
C143 C144 C147 119.3(15) . . ?
C144 C145 C146 125.7(14) . . ?
C144 C145 H14B 117.1 . . ?
C146 C145 H14B 117.1 . . ?
C141 C146 C145 117.3(13) . . ?
C141 C146 C151 123.2(11) . . ?
C145 C146 C151 119.5(12) . . ?
C148 C147 C50' 119(3) . . ?
C148 C147 C150 95(3) . . ?
C148 C147 C149 128(2) . . ?
C150 C147 C149 103(3) . . ?
C148 C147 C49' 85(3) . . ?
C50' C147 C49' 109(3) . . ?
C148 C147 C144 109.0(16) . . ?
C50' C147 C144 119(2) . . ?
C150 C147 C144 108(2) . . ?
C149 C147 C144 111(2) . . ?
C49' C147 C144 110(2) . . ?
C147 C148 H14C 109.5 . . ?
C147 C148 H14D 109.5 . . ?
H14C C148 H14D 109.5 . . ?
C147 C148 H14E 109.5 . . ?
H14C C148 H14E 109.5 . . ?
H14D C148 H14E 109.5 . . ?
C147 C149 H14F 109.5 . . ?
C147 C149 H14G 109.5 . . ?
H14F C149 H14G 109.5 . . ?
C147 C149 H14H 109.5 . . ?
H14F C149 H14H 109.5 . . ?
H14G C149 H14H 109.5 . . ?
C147 C150 H50S 109.5 . . ?
C147 C150 H50T 109.5 . . ?
H50S C150 H50T 109.5 . . ?
C147 C150 H50R 109.5 . . ?
H50S C150 H50R 109.5 . . ?
H50T C150 H50R 109.5 . . ?
C147 C49' H49C 109.5 . . ?
C147 C49' H49D 109.5 . . ?
H49C C49' H49D 109.5 . . ?
C147 C49' H49E 109.5 . . ?
H49C C49' H49E 109.5 . . ?
H49D C49' H49E 109.5 . . ?
C147 C50' H50A 109.5 . . ?
C147 C50' H50B 109.5 . . ?
H50A C50' H50B 109.5 . . ?
C147 C50' H50C 109.5 . . ?
H50A C50' H50C 109.5 . . ?
H50B C50' H50C 109.5 . . ?
C146 C151 C153 116.8(12) . . ?
C146 C151 H15E 108.1 . . ?
C153 C151 H15E 108.1 . . ?
C146 C151 H15F 108.1 . . ?
C153 C151 H15F 108.1 . . ?
H15E C151 H15F 107.3 . . ?
O19 C152 C153 121.3(11) . . ?
O19 C152 C157 120.1(12) . . ?
C153 C152 C157 118.5(11) . . ?
C152 C153 C154 120.0(12) . . ?
C152 C153 C151 121.3(12) . . ?
C154 C153 C151 118.7(12) . . ?
C155 C154 C153 120.8(13) . . ?
C155 C154 H15G 119.6 . . ?
C153 C154 H15G 119.6 . . ?
C156 C155 C154 117.4(13) . . ?
C156 C155 C158 123.7(13) . . ?
C154 C155 C158 118.9(14) . . ?
C157 C156 C155 123.1(13) . . ?
C157 C156 H15H 118.5 . . ?
C155 C156 H15H 118.5 . . ?
C156 C157 C152 120.1(13) . . ?
C156 C157 C162 119.4(12) . . ?
C152 C157 C162 120.5(12) . . ?
C161 C158 C159 111.3(15) . . ?
C161 C158 C160 110.4(14) . . ?
C159 C158 C160 105.7(13) . . ?
C161 C158 C155 108.2(11) . . ?
C159 C158 C155 109.7(11) . . ?
C160 C158 C155 111.6(12) . . ?
C158 C159 H15I 109.5 . . ?
C158 C159 H15J 109.5 . . ?
H15I C159 H15J 109.5 . . ?
C158 C159 H15K 109.5 . . ?
H15I C159 H15K 109.5 . . ?
H15J C159 H15K 109.5 . . ?
C158 C160 H16A 109.5 . . ?
C158 C160 H16B 109.5 . . ?
H16A C160 H16B 109.5 . . ?
C158 C160 H16C 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C158 C161 H16D 109.5 . . ?
C158 C161 H16E 109.5 . . ?
H16D C161 H16E 109.5 . . ?
C158 C161 H16F 109.5 . . ?
H16D C161 H16F 109.5 . . ?
H16E C161 H16F 109.5 . . ?
C164 C162 C157 113.4(10) . . ?
C164 C162 H16G 108.9 . . ?
C157 C162 H16G 108.9 . . ?
C164 C162 H16H 108.9 . . ?
C157 C162 H16H 108.9 . . ?
H16G C162 H16H 107.7 . . ?
O20 C163 C164 119.3(12) . . ?
O20 C163 C168 121.5(13) . . ?
C164 C163 C168 119.1(13) . . ?
C163 C164 C165 118.8(12) . . ?
C163 C164 C162 120.5(12) . . ?
C165 C164 C162 120.6(13) . . ?
C166 C165 C164 121.4(14) . . ?
C166 C165 H16I 119.3 . . ?
C164 C165 H16I 119.3 . . ?
C167 C166 C165 118.3(13) . . ?
C167 C166 C169 121.1(13) . . ?
C165 C166 C169 120.6(15) . . ?
C166 C167 C168 121.9(13) . . ?
C166 C167 H16J 119.1 . . ?
C168 C167 H16J 119.1 . . ?
C167 C168 C163 120.2(13) . . ?
C167 C168 C273 117.9(13) . . ?
C163 C168 C273 121.7(13) . . ?
C172 C169 C171 107.0(19) . . ?
C172 C169 C170 101.2(19) . . ?
C171 C169 C170 114(2) . . ?
C172 C169 C166 113.3(13) . . ?
C171 C169 C166 112.2(15) . . ?
C170 C169 C166 108.4(13) . . ?
C169 C170 H17A 109.5 . . ?
C169 C170 H17B 109.5 . . ?
H17A C170 H17B 109.5 . . ?
C169 C170 H17C 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
C169 C171 H17D 109.5 . . ?
C169 C171 H17E 109.5 . . ?
H17D C171 H17E 109.5 . . ?
C169 C171 H17F 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
C169 C172 H17G 109.5 . . ?
C169 C172 H17H 109.5 . . ?
H17G C172 H17H 109.5 . . ?
C169 C172 H17I 109.5 . . ?
H17G C172 H17I 109.5 . . ?
H17H C172 H17I 109.5 . . ?
O21 C173 C178 121.5(12) . . ?
O21 C173 C174 121.1(13) . . ?
C178 C173 C174 117.4(14) . . ?
C175 C174 C173 120.7(14) . . ?
C175 C174 C282 116.6(16) . . ?
C173 C174 C282 122.7(16) . . ?
C174 C175 C176 123.1(14) . . ?
C174 C175 H17J 118.5 . . ?
C176 C175 H17J 118.5 . . ?
C177 C176 C175 114.2(14) . . ?
C177 C176 C179 122.8(16) . . ?
C175 C176 C179 122.9(17) . . ?
C176 C177 C178 122.7(14) . . ?
C176 C177 H17K 118.7 . . ?
C178 C177 H17K 118.7 . . ?
C173 C178 C177 121.3(12) . . ?
C173 C178 C183 120.0(12) . . ?
C177 C178 C183 118.5(12) . . ?
C181 C179 C182 116.5(19) . . ?
C181 C179 C180 108.4(19) . . ?
C182 C179 C180 105.0(19) . . ?
C181 C179 C176 106.6(14) . . ?
C182 C179 C176 110.2(14) . . ?
C180 C179 C176 110.0(15) . . ?
C179 C180 H18A 109.5 . . ?
C179 C180 H18B 109.5 . . ?
H18A C180 H18B 109.5 . . ?
C179 C180 H18C 109.5 . . ?
H18A C180 H18C 109.5 . . ?
H18B C180 H18C 109.5 . . ?
C179 C181 H18D 109.5 . . ?
C179 C181 H18E 109.5 . . ?
H18D C181 H18E 109.5 . . ?
C179 C181 H18F 109.5 . . ?
H18D C181 H18F 109.5 . . ?
H18E C181 H18F 109.5 . . ?
C179 C182 H18G 109.5 . . ?
C179 C182 H18H 109.5 . . ?
H18G C182 H18H 109.5 . . ?
C179 C182 H18I 109.5 . . ?
H18G C182 H18I 109.5 . . ?
H18H C182 H18I 109.5 . . ?
C189 C183 C178 114.6(10) . . ?
C189 C183 H18J 108.6 . . ?
C178 C183 H18J 108.6 . . ?
C189 C183 H18K 108.6 . . ?
C178 C183 H18K 108.6 . . ?
H18J C183 H18K 107.6 . . ?
O40 C184 C189 122.7(11) . . ?
O40 C184 C185 118.8(10) . . ?
C189 C184 C185 118.5(11) . . ?
C186 C185 C184 119.9(11) . . ?
C186 C185 C193 117.9(10) . . ?
C184 C185 C193 122.2(10) . . ?
C185 C186 C187 122.5(11) . . ?
C185 C186 H18L 118.8 . . ?
C187 C186 H18L 118.8 . . ?
C188 C187 C186 114.9(10) . . ?
C188 C187 C190 124.6(12) . . ?
C186 C187 C190 120.4(11) . . ?
C187 C188 C189 125.7(11) . . ?
C187 C188 H18M 117.2 . . ?
C189 C188 H18M 117.2 . . ?
C184 C189 C188 118.6(11) . . ?
C184 C189 C183 120.6(11) . . ?
C188 C189 C183 120.8(11) . . ?
C06' C190 C91' 111.8(9) . . ?
C06' C190 C187 109.3(12) . . ?
C91' C190 C187 106.9(17) . . ?
C187 C190 C192 110.5(11) . . ?
C187 C190 C306 108.9(11) . . ?
C192 C190 C306 110.2(7) . . ?
C06' C190 C92' 111.1(9) . . ?
C91' C190 C92' 110.4(9) . . ?
C187 C190 C92' 107.2(17) . . ?
C187 C190 C191 108.3(10) . . ?
C192 C190 C191 109.9(7) . . ?
C306 C190 C191 108.9(7) . . ?
C190 C191 H19A 109.5 . . ?
C190 C191 H19B 109.5 . . ?
H19A C191 H19B 109.5 . . ?
C190 C191 H19C 109.5 . . ?
H19A C191 H19C 109.5 . . ?
H19B C191 H19C 109.5 . . ?
C190 C192 H19D 109.5 . . ?
C190 C192 H19E 109.5 . . ?
H19D C192 H19E 109.5 . . ?
C190 C192 H19F 109.5 . . ?
H19D C192 H19F 109.5 . . ?
H19E C192 H19F 109.5 . . ?
C190 C306 H30A 109.5 . . ?
C190 C306 H30B 109.5 . . ?
H30A C306 H30B 109.5 . . ?
C190 C306 H30C 109.5 . . ?
H30A C306 H30C 109.5 . . ?
H30B C306 H30C 109.5 . . ?
C190 C91' H91A 109.5 . . ?
C190 C91' H91B 109.5 . . ?
H91A C91' H91B 109.5 . . ?
C190 C91' H91C 109.5 . . ?
H91A C91' H91C 109.5 . . ?
H91B C91' H91C 109.5 . . ?
C190 C92' H92A 109.5 . . ?
C190 C92' H92B 109.5 . . ?
H92A C92' H92B 109.5 . . ?
C190 C92' H92C 109.5 . . ?
H92A C92' H92C 109.5 . . ?
H92B C92' H92C 109.5 . . ?
C190 C06' H06A 109.5 . . ?
C190 C06' H06B 109.5 . . ?
H06A C06' H06B 109.5 . . ?
C190 C06' H06C 109.5 . . ?
H06A C06' H06C 109.5 . . ?
H06B C06' H06C 109.5 . . ?
C185 C193 C195 110.2(9) . . ?
C185 C193 H19G 109.6 . . ?
C195 C193 H19G 109.6 . . ?
C185 C193 H19H 109.6 . . ?
C195 C193 H19H 109.6 . . ?
H19G C193 H19H 108.1 . . ?
O42 C194 C199 120.6(10) . . ?
O42 C194 C195 119.9(10) . . ?
C199 C194 C195 119.5(10) . . ?
C196 C195 C194 120.1(10) . . ?
C196 C195 C193 118.9(10) . . ?
C194 C195 C193 120.8(10) . . ?
C195 C196 C197 122.9(10) . . ?
C195 C196 H19I 118.5 . . ?
C197 C196 H19I 118.5 . . ?
C196 C197 C198 115.4(11) . . ?
C196 C197 C200 124.9(10) . . ?
C198 C197 C200 119.6(11) . . ?
C199 C198 C197 123.1(11) . . ?
C199 C198 H19J 118.4 . . ?
C197 C198 H19J 118.4 . . ?
C194 C199 C198 118.9(10) . . ?
C194 C199 C204 124.4(10) . . ?
C198 C199 C204 116.5(10) . . ?
C201 C200 C203 109.5(10) . . ?
C201 C200 C197 112.1(10) . . ?
C203 C200 C197 109.9(9) . . ?
C201 C200 C202 108.8(10) . . ?
C203 C200 C202 108.3(10) . . ?
C197 C200 C202 108.3(9) . . ?
C200 C201 H20A 109.5 . . ?
C200 C201 H20B 109.5 . . ?
H20A C201 H20B 109.5 . . ?
C200 C201 H20C 109.5 . . ?
H20A C201 H20C 109.5 . . ?
H20B C201 H20C 109.5 . . ?
C200 C202 H20D 109.5 . . ?
C200 C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
C200 C202 H20F 109.5 . . ?
H20D C202 H20F 109.5 . . ?
H20E C202 H20F 109.5 . . ?
C200 C203 H20G 109.5 . . ?
C200 C203 H20H 109.5 . . ?
H20G C203 H20H 109.5 . . ?
C200 C203 H20I 109.5 . . ?
H20G C203 H20I 109.5 . . ?
H20H C203 H20I 109.5 . . ?
C206 C204 C199 112.4(9) . . ?
C206 C204 H20J 109.1 . . ?
C199 C204 H20J 109.1 . . ?
C206 C204 H20K 109.1 . . ?
C199 C204 H20K 109.1 . . ?
H20J C204 H20K 107.8 . . ?
O17 C205 C210 121.1(10) . . ?
O17 C205 C206 119.0(10) . . ?
C210 C205 C206 119.9(11) . . ?
C207 C206 C205 118.8(11) . . ?
C207 C206 C204 116.8(11) . . ?
C205 C206 C204 124.4(11) . . ?
C206 C207 C208 123.8(11) . . ?
C206 C207 H20L 118.1 . . ?
C208 C207 H20L 118.1 . . ?
C209 C208 C207 115.0(10) . . ?
C209 C208 C211 123.3(12) . . ?
C207 C208 C211 121.7(12) . . ?
C208 C209 C210 123.6(12) . . ?
C208 C209 H20M 118.2 . . ?
C210 C209 H20M 118.2 . . ?
C205 C210 C209 118.8(11) . . ?
C205 C210 C214 123.4(11) . . ?
C209 C210 C214 117.8(11) . . ?
C308 C211 C213 106.0(16) . . ?
C308 C211 C212 110.6(19) . . ?
C213 C211 C212 108.4(17) . . ?
C308 C211 C208 106.0(15) . . ?
C213 C211 C208 113.6(12) . . ?
C212 C211 C208 112.0(13) . . ?
C211 C212 H21A 109.5 . . ?
C211 C212 H21B 109.5 . . ?
H21A C212 H21B 109.5 . . ?
C211 C212 H21C 109.5 . . ?
H21A C212 H21C 109.5 . . ?
H21B C212 H21C 109.5 . . ?
C211 C213 H21D 109.5 . . ?
C211 C213 H21E 109.5 . . ?
H21D C213 H21E 109.5 . . ?
C211 C213 H21F 109.5 . . ?
H21D C213 H21F 109.5 . . ?
H21E C213 H21F 109.5 . . ?
C210 C214 C142 112.3(9) . . ?
C210 C214 H21G 109.2 . . ?
C142 C214 H21G 109.2 . . ?
C210 C214 H21H 109.2 . . ?
C142 C214 H21H 109.2 . . ?
H21G C214 H21H 107.9 . . ?
C217 C215 C134 111.7(10) . . ?
C217 C215 H21I 109.3 . . ?
C134 C215 H21I 109.3 . . ?
C217 C215 H21J 109.3 . . ?
C134 C215 H21J 109.3 . . ?
H21I C215 H21J 107.9 . . ?
O14 C216 C217 120.7(10) . . ?
O14 C216 C221 120.2(10) . . ?
C217 C216 C221 119.1(11) . . ?
C216 C217 C218 119.3(11) . . ?
C216 C217 C215 124.9(11) . . ?
C218 C217 C215 115.8(11) . . ?
C219 C218 C217 122.9(12) . . ?
C219 C218 H21K 118.6 . . ?
C217 C218 H21K 118.6 . . ?
C220 C219 C218 115.2(12) . . ?
C220 C219 C222 122.4(12) . . ?
C218 C219 C222 122.1(12) . . ?
C221 C220 C219 123.9(12) . . ?
C221 C220 H22A 118.0 . . ?
C219 C220 H22A 118.0 . . ?
C220 C221 C216 119.6(11) . . ?
C220 C221 C225 118.6(11) . . ?
C216 C221 C225 121.9(11) . . ?
C316 C222 C219 112.2(19) . . ?
C316 C222 C223 97(2) . . ?
C219 C222 C223 111.8(16) . . ?
C316 C222 C224 111(2) . . ?
C219 C222 C224 113.6(14) . . ?
C223 C222 C224 109(2) . . ?
C222 C223 H22B 109.5 . . ?
C222 C223 H22C 109.5 . . ?
H22B C223 H22C 109.5 . . ?
C222 C223 H22D 109.5 . . ?
H22B C223 H22D 109.5 . . ?
H22C C223 H22D 109.5 . . ?
C222 C224 H22E 109.5 . . ?
C222 C224 H22F 109.5 . . ?
H22E C224 H22F 109.5 . . ?
C222 C224 H22G 109.5 . . ?
H22E C224 H22G 109.5 . . ?
H22F C224 H22G 109.5 . . ?
C221 C225 C227 112.6(9) . . ?
C221 C225 H22H 109.1 . . ?
C227 C225 H22H 109.1 . . ?
C221 C225 H22I 109.1 . . ?
C227 C225 H22I 109.1 . . ?
H22H C225 H22I 107.8 . . ?
O13 C226 C231 122.1(10) . . ?
O13 C226 C227 120.7(10) . . ?
C231 C226 C227 117.2(10) . . ?
C228 C227 C226 120.7(11) . . ?
C228 C227 C225 117.4(10) . . ?
C226 C227 C225 121.9(10) . . ?
C227 C228 C229 122.4(10) . . ?
C227 C228 H22J 118.8 . . ?
C229 C228 H22J 118.8 . . ?
C230 C229 C228 115.7(9) . . ?
C230 C229 C233 124.6(10) . . ?
C228 C229 C233 119.7(10) . . ?
C229 C230 C231 124.2(11) . . ?
C229 C230 H23B 117.9 . . ?
C231 C230 H23B 117.9 . . ?
C230 C231 C226 119.8(10) . . ?
C230 C231 C232 118.9(10) . . ?
C226 C231 C232 121.3(10) . . ?
C80 C232 C231 116.9(10) . . ?
C80 C232 H23C 121.5 . . ?
C231 C232 H23C 121.5 . . ?
C234 C233 C236 112.4(14) . . ?
C234 C233 C235 106.7(13) . . ?
C236 C233 C235 106.3(14) . . ?
C234 C233 C229 112.3(10) . . ?
C236 C233 C229 109.7(10) . . ?
C235 C233 C229 109.1(10) . . ?
C233 C234 H23D 109.5 . . ?
C233 C234 H23E 109.5 . . ?
H23D C234 H23E 109.5 . . ?
C233 C234 H23F 109.5 . . ?
H23D C234 H23F 109.5 . . ?
H23E C234 H23F 109.5 . . ?
C233 C235 H23G 109.5 . . ?
C233 C235 H23H 109.5 . . ?
H23G C235 H23H 109.5 . . ?
C233 C235 H23I 109.5 . . ?
H23G C235 H23I 109.5 . . ?
H23H C235 H23I 109.5 . . ?
C233 C236 H23J 109.5 . . ?
C233 C236 H23K 109.5 . . ?
H23J C236 H23K 109.5 . . ?
C233 C236 H23L 109.5 . . ?
H23J C236 H23L 109.5 . . ?
H23K C236 H23L 109.5 . . ?
C238 C237 C311 100(2) . . ?
C238 C237 C4 112(2) . . ?
C311 C237 C4 113.1(19) . . ?
C238 C237 C239 131(3) . . ?
C311 C237 C239 89(3) . . ?
C4 C237 C239 108(2) . . ?
C238 C237 C39' 70(2) . . ?
C311 C237 C39' 138(2) . . ?
C4 C237 C39' 109(3) . . ?
C237 C238 C39' 55.3(13) . . ?
C237 C238 H23M 109.5 . . ?
C39' C238 H23M 62.4 . . ?
C237 C238 H23N 109.5 . . ?
C39' C238 H23N 151.4 . . ?
H23M C238 H23N 109.5 . . ?
C237 C238 H23O 109.5 . . ?
C39' C238 H23O 98.9 . . ?
H23M C238 H23O 109.5 . . ?
H23N C238 H23O 109.5 . . ?
C237 C239 H23P 109.5 . . ?
C237 C239 H23Q 109.5 . . ?
H23P C239 H23Q 109.5 . . ?
C237 C239 H23R 109.5 . . ?
H23P C239 H23R 109.5 . . ?
H23Q C239 H23R 109.5 . . ?
C237 C39' C238 54.7(12) . . ?
C237 C39' H39A 109.5 . . ?
C238 C39' H39A 164.1 . . ?
C237 C39' H39B 109.5 . . ?
C238 C39' H39B 78.9 . . ?
H39A C39' H39B 109.5 . . ?
C237 C39' H39C 109.5 . . ?
C238 C39' H39C 78.9 . . ?
H39A C39' H39C 109.5 . . ?
H39B C39' H39C 109.5 . . ?
O8 C240 H24A 109.5 . . ?
O8 C240 H24B 109.5 . . ?
H24A C240 H24B 109.5 . . ?
O8 C240 H24C 109.5 . . ?
H24A C240 H24C 109.5 . . ?
H24B C240 H24C 109.5 . . ?
O23 C241 O24 119.7(9) . . ?
O23 C241 O25 119.1(10) . . ?
O24 C241 O25 121.2(10) . . ?
O50 C242 H24D 109.5 . . ?
O50 C242 H24E 109.5 . . ?
H24D C242 H24E 109.5 . . ?
O50 C242 H24F 109.5 . . ?
H24D C242 H24F 109.5 . . ?
H24E C242 H24F 109.5 . . ?
O22 C243 H24G 109.5 . . ?
O22 C243 H24H 109.5 . . ?
H24G C243 H24H 109.5 . . ?
O22 C243 H24I 109.5 . . ?
H24G C243 H24I 109.5 . . ?
H24H C243 H24I 109.5 . . ?
C22 C244 C16 113.8(17) . . ?
C22 C244 H24J 108.8 . . ?
C16 C244 H24J 108.8 . . ?
C22 C244 H24K 108.8 . . ?
C16 C244 H24K 108.8 . . ?
H24J C244 H24K 107.7 . . ?
C114 C245 C120 113.2(11) . . ?
C114 C245 H24L 108.9 . . ?
C120 C245 H24L 108.9 . . ?
C114 C245 H24M 108.9 . . ?
C120 C245 H24M 108.9 . . ?
H24L C245 H24M 107.8 . . ?
O29 C246 N5 125.9(16) . . ?
N5 C247 H24N 109.5 . . ?
N5 C247 H24O 109.5 . . ?
H24N C247 H24O 109.5 . . ?
N5 C247 H24P 109.5 . . ?
H24N C247 H24P 109.5 . . ?
H24O C247 H24P 109.5 . . ?
N5 C249 H24Q 109.5 . . ?
N5 C249 H24R 109.5 . . ?
H24Q C249 H24R 109.5 . . ?
N5 C249 H24S 109.5 . . ?
H24Q C249 H24S 109.5 . . ?
H24R C249 H24S 109.5 . . ?
N6 C251 H25B 109.5 . . ?
N6 C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
N6 C251 H25D 109.5 . . ?
H25B C251 H25D 109.5 . . ?
H25C C251 H25D 109.5 . . ?
N6 C252 H25E 109.5 . . ?
N6 C252 H25F 109.5 . . ?
H25E C252 H25F 109.5 . . ?
N6 C252 H25G 109.5 . . ?
H25E C252 H25G 109.5 . . ?
H25F C252 H25G 109.5 . . ?
O31 C253 H25H 109.5 . . ?
O31 C253 H25I 109.5 . . ?
H25H C253 H25I 109.5 . . ?
O31 C253 H25J 109.5 . . ?
H25H C253 H25J 109.5 . . ?
H25I C253 H25J 109.5 . . ?
O33 C254 H25K 109.5 . . ?
O33 C254 H25L 109.5 . . ?
H25K C254 H25L 109.5 . . ?
O33 C254 H25M 109.5 . . ?
H25K C254 H25M 109.5 . . ?
H25L C254 H25M 109.5 . . ?
O32 C255 H25N 109.5 . . ?
O32 C255 H25O 109.5 . . ?
H25N C255 H25O 109.5 . . ?
O32 C255 H25P 109.5 . . ?
H25N C255 H25P 109.5 . . ?
H25O C255 H25P 109.5 . . ?
C36 C256 C26 113.7(13) . . ?
C36 C256 H25Q 108.8 . . ?
C26 C256 H25Q 108.8 . . ?
C36 C256 H25R 108.8 . . ?
C26 C256 H25R 108.8 . . ?
H25Q C256 H25R 107.7 . . ?
O34 C257 H25S 109.5 . . ?
O34 C257 H25T 109.5 . . ?
H25S C257 H25T 109.5 . . ?
O34 C257 H25U 109.5 . . ?
H25S C257 H25U 109.5 . . ?
H25T C257 H25U 109.5 . . ?
O36 C259 O37 121.5(13) . . ?
O36 C259 C260 122.1(14) . . ?
O37 C259 C260 116.3(14) . . ?
O36 C259 Dy5 57.2(7) . . ?
O37 C259 Dy5 64.4(7) . . ?
C260 C259 Dy5 175.1(11) . . ?
C259 C260 H26A 109.5 . . ?
C259 C260 H26B 109.5 . . ?
H26A C260 H26B 109.5 . . ?
C259 C260 H26C 109.5 . . ?
H26A C260 H26C 109.5 . . ?
H26B C260 H26C 109.5 . . ?
O39 C261 O38 122.2(13) . . ?
O39 C261 C262 118.6(15) . . ?
O38 C261 C262 119.2(14) . . ?
O39 C261 Dy6 64.8(7) . . ?
O38 C261 Dy6 57.6(7) . . ?
C262 C261 Dy6 172.7(11) . . ?
C261 C262 H26D 109.5 . . ?
C261 C262 H26E 109.5 . . ?
H26D C262 H26E 109.5 . . ?
C261 C262 H26F 109.5 . . ?
H26D C262 H26F 109.5 . . ?
H26E C262 H26F 109.5 . . ?
C12 C263 C6 115.3(18) . . ?
C12 C263 H26G 108.5 . . ?
C6 C263 H26G 108.5 . . ?
C12 C263 H26H 108.5 . . ?
C6 C263 H26H 108.5 . . ?
H26G C263 H26H 107.5 . . ?
C266 C264 C30' 119(3) . . ?
C266 C264 C301 110.7(10) . . ?
C30' C264 C301 83(3) . . ?
C266 C264 C14 116(3) . . ?
C30' C264 C14 110(2) . . ?
C301 C264 C14 113(3) . . ?
C264 C266 H26L 109.5 . . ?
C264 C266 H26M 109.5 . . ?
H26L C266 H26M 109.5 . . ?
C264 C266 H26N 109.5 . . ?
H26L C266 H26N 109.5 . . ?
H26M C266 H26N 109.5 . . ?
C56 C267 H26O 109.5 . . ?
C56 C267 H26P 109.5 . . ?
H26O C267 H26P 109.5 . . ?
C56 C267 H26Q 109.5 . . ?
H26O C267 H26Q 109.5 . . ?
H26P C267 H26Q 109.5 . . ?
C56 C268 H26R 109.5 . . ?
C56 C268 H26S 109.5 . . ?
H26R C268 H26S 109.5 . . ?
C56 C268 H26T 109.5 . . ?
H26R C268 H26T 109.5 . . ?
H26S C268 H26T 109.5 . . ?
C56 C68' H68A 109.5 . . ?
C56 C68' H68B 109.5 . . ?
H68A C68' H68B 109.5 . . ?
C56 C68' H68C 109.5 . . ?
H68A C68' H68C 109.5 . . ?
H68B C68' H68C 109.5 . . ?
C65 C269 H26U 109.5 . . ?
C65 C269 H26V 109.5 . . ?
H26U C269 H26V 109.5 . . ?
C65 C269 H26W 109.5 . . ?
H26U C269 H26W 109.5 . . ?
H26V C269 H26W 109.5 . . ?
C65 C69' H69C 109.5 . . ?
C65 C69' H69D 109.5 . . ?
H69C C69' H69D 109.5 . . ?
C65 C69' H69E 109.5 . . ?
H69C C69' H69E 109.5 . . ?
H69D C69' H69E 109.5 . . ?
C27 C270 H27A 109.5 . . ?
C27 C270 H27B 109.5 . . ?
H27A C270 H27B 109.5 . . ?
C27 C270 H27C 109.5 . . ?
H27A C270 H27C 109.5 . . ?
H27B C270 H27C 109.5 . . ?
C37 C271 H27D 109.5 . . ?
C37 C271 H27E 109.5 . . ?
H27D C271 H27E 109.5 . . ?
C37 C271 H27F 109.5 . . ?
H27D C271 H27F 109.5 . . ?
H27E C271 H27F 109.5 . . ?
C39 C272 H27G 109.5 . . ?
C39 C272 H27H 109.5 . . ?
H27G C272 H27H 109.5 . . ?
C39 C272 H27I 109.5 . . ?
H27G C272 H27I 109.5 . . ?
H27H C272 H27I 109.5 . . ?
C275 C273 C168 113.5(12) . . ?
C275 C273 H27J 108.9 . . ?
C168 C273 H27J 108.9 . . ?
C275 C273 H27K 108.9 . . ?
C168 C273 H27K 108.9 . . ?
H27J C273 H27K 107.7 . . ?
C279 C274 C276 119.3(15) . . ?
C279 C274 C280 120.1(19) . . ?
C276 C274 C280 120.3(19) . . ?
C277 C275 C276 120.4(16) . . ?
C277 C275 C273 120.8(16) . . ?
C276 C275 C273 118.7(15) . . ?
C275 C276 C274 120.8(16) . . ?
C275 C276 H27L 119.6 . . ?
C274 C276 H27L 119.6 . . ?
C275 C277 C278 119.8(16) . . ?
C275 C277 O47 121.9(16) . . ?
C278 C277 O47 118.2(17) . . ?
C277 C278 C279 120.5(16) . . ?
C277 C278 C282 122.2(18) . . ?
C279 C278 C282 117.4(18) . . ?
C274 C279 C278 119.0(17) . . ?
C274 C279 H27M 120.5 . . ?
C278 C279 H27M 120.5 . . ?
C281 C280 C304 126(2) . . ?
C281 C280 C274 116(2) . . ?
C304 C280 C274 113(2) . . ?
C281 C280 C303 84(2) . . ?
C304 C280 C303 104(3) . . ?
C274 C280 C303 106.8(19) . . ?
C280 C281 H28D 109.5 . . ?
C280 C281 H28E 109.5 . . ?
H28D C281 H28E 109.5 . . ?
C280 C281 H28F 109.5 . . ?
H28D C281 H28F 109.5 . . ?
H28E C281 H28F 109.5 . . ?
C174 C282 C278 114.5(13) . . ?
C174 C282 H28G 108.6 . . ?
C278 C282 H28G 108.6 . . ?
C174 C282 H28H 108.6 . . ?
C278 C282 H28H 108.6 . . ?
H28G C282 H28H 107.6 . . ?
C106 C283 H28I 109.5 . . ?
C106 C283 H28J 109.5 . . ?
H28I C283 H28J 109.5 . . ?
C106 C283 H28K 109.5 . . ?
H28I C283 H28K 109.5 . . ?
H28J C283 H28K 109.5 . . ?
C106 C284 H28L 109.5 . . ?
C106 C284 H28M 109.5 . . ?
H28L C284 H28M 109.5 . . ?
C106 C284 H28N 109.5 . . ?
H28L C284 H28N 109.5 . . ?
H28M C284 H28N 109.5 . . ?
O28 C285 N4 130.2(19) . . ?
N4 C288 H28R 109.5 . . ?
N4 C288 H28S 109.5 . . ?
H28R C288 H28S 109.5 . . ?
N4 C288 H28T 109.5 . . ?
H28R C288 H28T 109.5 . . ?
H28S C288 H28T 109.5 . . ?
C56 C286 H28O 109.5 . . ?
C56 C286 H28P 109.5 . . ?
H28O C286 H28P 109.5 . . ?
C56 C286 H28Q 109.5 . . ?
H28O C286 H28Q 109.5 . . ?
H28P C286 H28Q 109.5 . . ?
O30 C289 N7 125.4(15) . . ?
O30 C289 H28U 117.3 . . ?
N7 C289 H28U 117.3 . . ?
N7 C291 H29D 109.5 . . ?
N7 C291 H29E 109.5 . . ?
H29D C291 H29E 109.5 . . ?
N7 C291 H29F 109.5 . . ?
H29D C291 H29F 109.5 . . ?
H29E C291 H29F 109.5 . . ?
N7 C292 H29G 109.5 . . ?
N7 C292 H29H 109.5 . . ?
H29G C292 H29H 109.5 . . ?
N7 C292 H29I 109.5 . . ?
H29G C292 H29I 109.5 . . ?
H29H C292 H29I 109.5 . . ?
N3 C294 H29J 109.5 . . ?
N3 C294 H29K 109.5 . . ?
H29J C294 H29K 109.5 . . ?
N3 C294 H29L 109.5 . . ?
H29J C294 H29L 109.5 . . ?
H29K C294 H29L 109.5 . . ?
O46 C295 N3 125.8(19) . . ?
O26 C296 N2 152(5) . . ?
N2 C298 H29M 109.5 . . ?
N2 C298 H29N 109.5 . . ?
H29M C298 H29N 109.5 . . ?
N2 C298 H29O 109.5 . . ?
H29M C298 H29O 109.5 . . ?
H29N C298 H29O 109.5 . . ?
N3 C299 H29P 109.5 . . ?
N3 C299 H29Q 109.5 . . ?
H29P C299 H29Q 109.5 . . ?
N3 C299 H29R 109.5 . . ?
H29P C299 H29R 109.5 . . ?
H29Q C299 H29R 109.5 . . ?
C124 C300 C130 112.6(10) . . ?
C124 C300 H30D 109.1 . . ?
C130 C300 H30D 109.1 . . ?
C124 C300 H30E 109.1 . . ?
C130 C300 H30E 109.1 . . ?
H30D C300 H30E 107.8 . . ?
C264 C301 H30F 109.5 . . ?
C264 C301 H30G 109.5 . . ?
H30F C301 H30G 109.5 . . ?
C264 C301 H30H 109.5 . . ?
H30F C301 H30H 109.5 . . ?
H30G C301 H30H 109.5 . . ?
O35 C302 H30I 109.5 . . ?
O35 C302 H30J 109.5 . . ?
H30I C302 H30J 109.5 . . ?
O35 C302 H30K 109.5 . . ?
H30I C302 H30K 109.5 . . ?
H30J C302 H30K 109.5 . . ?
C280 C303 H60R 109.5 . . ?
C280 C303 H60S 109.5 . . ?
H60R C303 H60S 109.5 . . ?
C280 C303 H60T 109.5 . . ?
H60R C303 H60T 109.5 . . ?
H60S C303 H60T 109.5 . . ?
C280 C304 H30O 109.5 . . ?
C280 C304 H30P 109.5 . . ?
H30O C304 H30P 109.5 . . ?
C280 C304 H30Q 109.5 . . ?
H30O C304 H30Q 109.5 . . ?
H30P C304 H30Q 109.5 . . ?
C32 C305 C42 111.3(10) . . ?
C32 C305 H30R 109.4 . . ?
C42 C305 H30R 109.4 . . ?
C32 C305 H30S 109.4 . . ?
C42 C305 H30S 109.4 . . ?
H30R C305 H30S 108.0 . . ?
N2 C307 H30T 109.5 . . ?
N2 C307 H30U 109.5 . . ?
H30T C307 H30U 109.5 . . ?
N2 C307 H30V 109.5 . . ?
H30T C307 H30V 109.5 . . ?
H30U C307 H30V 109.5 . . ?
C211 C308 H30W 109.5 . . ?
C211 C308 H30X 109.5 . . ?
H30W C308 H30X 109.5 . . ?
C211 C308 H30Y 109.5 . . ?
H30W C308 H30Y 109.5 . . ?
H30X C308 H30Y 109.5 . . ?
C320 C310 N1 119(3) . . ?
C237 C311 H31A 109.5 . . ?
C237 C311 H31B 109.5 . . ?
H31A C311 H31B 109.5 . . ?
C237 C311 H31C 109.5 . . ?
H31A C311 H31C 109.5 . . ?
H31B C311 H31C 109.5 . . ?
N1 C312 C313 118(3) . . ?
N1 C312 H31E 107.9 . . ?
C313 C312 H31E 107.9 . . ?
N1 C312 H31F 107.9 . . ?
C313 C312 H31F 107.9 . . ?
H31E C312 H31F 107.2 . . ?
C312 C313 H31G 109.5 . . ?
C312 C313 H31H 109.5 . . ?
H31G C313 H31H 109.5 . . ?
C312 C313 H31I 109.5 . . ?
H31G C313 H31I 109.5 . . ?
H31H C313 H31I 109.5 . . ?
C222 C316 H31J 109.5 . . ?
C222 C316 H31K 109.5 . . ?
H31J C316 H31K 109.5 . . ?
C222 C316 H31L 109.5 . . ?
H31J C316 H31L 109.5 . . ?
H31K C316 H31L 109.5 . . ?
C317 C318 H31M 109.5 . . ?
C317 C318 H31N 109.5 . . ?
H31M C318 H31N 109.5 . . ?
C317 C318 H31O 109.5 . . ?
H31M C318 H31O 109.5 . . ?
H31N C318 H31O 109.5 . . ?
N1 C317 C318 101(3) . . ?
N1 C317 H31P 111.6 . . ?
C318 C317 H31P 111.6 . . ?
N1 C317 H31Q 111.6 . . ?
C318 C317 H31Q 111.6 . . ?
H31P C317 H31Q 109.4 . . ?
C310 C320 H32A 109.5 . . ?
C310 C320 H32B 109.5 . . ?
H32A C320 H32B 109.5 . . ?
C310 C320 H32C 109.5 . . ?
H32A C320 H32C 109.5 . . ?
H32B C320 H32C 109.5 . . ?
N4 C319 H32D 109.5 . . ?
N4 C319 H32E 109.5 . . ?
H32D C319 H32E 109.5 . . ?
N4 C319 H32F 109.5 . . ?
H32D C319 H32F 109.5 . . ?
H32E C319 H32F 109.5 . . ?

_refine_diff_density_max         1.742
_refine_diff_density_min         -1.752
_refine_diff_density_rms         0.151

# start Validation Reply Form

_vrf_THETM01_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystal diffracted poorly at higher resolution. Even a large 
crystal did not diffract well.
;

_vrf_PLAT412_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: Short Intra XH3 .. XHn     H30H     ..H28F     .       1.59 Ang.  
RESPONSE: It is due to the disorder.
;
_vrf_PLAT602_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info  
RESPONSE: It is a porous supramolecular structure.
;
_vrf_PLAT201_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          1 Report
RESPONSE: It belongs to a methanol molecule.
;
_vrf_PLAT220_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: NonSolvent Resd 1  C   Ueq(max) / Ueq(min) Range       10.0 Ratio 
RESPONSE: It is due to the disorder.
;
_vrf_PLAT241_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C15 Check 
RESPONSE: It is due to the disorder.
;
_vrf_PLAT242_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        O26 Check 
RESPONSE: It is due to the disorder.
;
_vrf_PLAT306_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O43 Check 
RESPONSE: It is the disordered water molecule.
;
_vrf_PLAT315_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).       C30' Check 
RESPONSE: It belongs to the disordered butyl group.
;
_vrf_PLAT342_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02647 Ang.  
RESPONSE: It is due to the disorder.
;
_vrf_PLAT430_f__Ln6Co6-data_hht93Dy_hht93 
;
PROBLEM: Short Inter D...A Contact  O4       ..O43      .       2.67 Ang.  
RESPONSE: It is due to the disorder.
;
# end Validation Reply Form


