# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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#  data retrieval see:
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data_cluster-1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C328 H413 Cd24 N22 Nd6 O131'
_chemical_formula_sum            'C328 H413 Cd24 N22 Nd6 O131'
_chemical_formula_weight         10322.84

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  -P2ybc

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

_cell_length_a                   35.277(7)
_cell_length_b                   29.064(6)
_cell_length_c                   49.662(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.81(3)
_cell_angle_gamma                90.00
_cell_volume                     50806(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(1)
_cell_measurement_reflns_used    62562
_cell_measurement_theta_min      0.9688
_cell_measurement_theta_max      25.2406

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             20380
_exptl_absorpt_coefficient_mu    1.647
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.661752
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(1)
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            343760
_diffrn_reflns_av_R_equivalents  0.0927
_diffrn_reflns_av_sigmaI/netI    0.1251
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         25.00
_reflns_number_total             86623
_reflns_number_gt                48928
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Some uncoordinated solvent molecules such as MeOH, EtOEt and H2O molecules 
 were found to be badly disordered. Attempts to model the disorder were 
 unsatisfactory. The contributions to the scattering factors due to these 
 solvent molecules were removed by use of the utility SQUEEZE (Sluis and 
 Spek, 1990) in PLATON98 (Spek, 1998). PLATON98 was used as incorporated 
 in WinGX (Farrugia, 1999).

 Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij 
 components approximate to isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1466P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         86623
_refine_ls_number_parameters     4576
_refine_ls_number_restraints     3126
_refine_ls_R_factor_all          0.1587
_refine_ls_R_factor_gt           0.0874
_refine_ls_wR_factor_ref         0.2441
_refine_ls_wR_factor_gt          0.2337
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.20850(2) 0.35033(2) 0.150824(15) 0.04320(19) Uani 1 1 d U . .
Nd2 Nd 0.23863(2) 0.38182(3) 0.355217(17) 0.0535(2) Uani 1 1 d U . .
Nd3 Nd 0.03706(2) 0.11065(2) 0.214362(15) 0.04374(19) Uani 1 1 d U . .
Nd4 Nd 0.27766(2) -0.10173(3) 0.355449(17) 0.0540(2) Uani 1 1 d U . .
Nd5 Nd 0.45725(2) 0.16943(2) 0.218705(16) 0.0471(2) Uani 1 1 d U . .
Nd6 Nd 0.27520(2) -0.06214(3) 0.146177(19) 0.0593(2) Uani 1 1 d U . .
Cd1 Cd 0.26948(3) 0.43489(4) 0.18636(2) 0.0559(3) Uani 1 1 d U . .
Cd2 Cd 0.22687(3) 0.51841(4) 0.22732(2) 0.0610(3) Uani 1 1 d U . .
Cd3 Cd 0.25360(3) 0.39838(4) 0.27934(2) 0.0589(3) Uani 1 1 d U . .
Cd4 Cd 0.20713(4) 0.33527(5) 0.41897(3) 0.0962(5) Uani 1 1 d U . .
Cd5 Cd 0.11806(5) 0.36211(6) 0.44154(4) 0.11435(4) Uani 1 1 d DU . .
Cd6 Cd 0.12339(3) 0.22589(4) 0.39868(2) 0.0654(3) Uani 1 1 d U . .
Cd7 Cd 0.05653(3) 0.14303(4) 0.37975(2) 0.0607(3) Uani 1 1 d U . .
Cd8 Cd -0.02207(3) 0.19708(4) 0.34600(2) 0.0660(3) Uani 1 1 d U . .
Cd9 Cd 0.05685(3) 0.11824(4) 0.29166(2) 0.0537(3) Uani 1 1 d U . .
Cd10 Cd 0.03593(3) 0.13940(4) 0.14232(2) 0.0555(3) Uani 1 1 d U . .
Cd11 Cd 0.01332(3) 0.25344(4) 0.11949(2) 0.0640(3) Uani 1 1 d U . .
Cd12 Cd 0.13700(3) 0.25114(3) 0.14556(2) 0.0500(3) Uani 1 1 d U . .
Cd13 Cd 0.31245(3) -0.06295(4) 0.42329(2) 0.0641(3) Uani 1 1 d U . .
Cd14 Cd 0.40767(3) -0.08122(4) 0.44877(2) 0.0678(3) Uani 1 1 d U . .
Cd15 Cd 0.39837(3) 0.04914(4) 0.40481(2) 0.0582(3) Uani 1 1 d U . .
Cd16 Cd 0.45882(3) 0.13648(4) 0.38468(2) 0.0582(3) Uani 1 1 d U . .
Cd17 Cd 0.53414(3) 0.08345(4) 0.35295(2) 0.0623(3) Uani 1 1 d U . .
Cd18 Cd 0.44783(3) 0.15955(4) 0.29580(2) 0.0547(3) Uani 1 1 d U . .
Cd19 Cd 0.44601(3) 0.14513(4) 0.14583(2) 0.0629(3) Uani 1 1 d U . .
Cd20 Cd 0.46667(4) 0.03271(4) 0.12129(3) 0.0832(4) Uani 1 1 d U . .
Cd21 Cd 0.34599(3) 0.03578(4) 0.14284(2) 0.0608(3) Uani 1 1 d U . .
Cd22 Cd 0.22290(3) -0.14826(4) 0.18163(3) 0.0708(4) Uani 1 1 d U . .
Cd23 Cd 0.27444(3) -0.22969(4) 0.22359(3) 0.0811(4) Uani 1 1 d U . .
Cd24 Cd 0.25326(3) -0.11382(4) 0.27736(3) 0.0663(3) Uani 1 1 d U . .
N1 N 0.2515(4) 0.3010(5) 0.4464(3) 0.093(4) Uani 1 1 d U . .
N2 N 0.4677(4) 0.2050(4) 0.4068(3) 0.072(4) Uani 1 1 d U . .
N3 N 0.1544(4) 0.1903(5) 0.4343(3) 0.077(4) Uani 1 1 d U . .
N4 N 0.3700(4) 0.0853(4) 0.4393(3) 0.070(4) Uani 1 1 d U . .
N5 N 0.0497(4) 0.0760(5) 0.4028(3) 0.079(4) Uani 1 1 d U . .
N6 N 0.2710(4) -0.0258(4) 0.4480(3) 0.069(4) Uani 1 1 d U . .
N7 N 0.0273(4) 0.0558(4) 0.3105(2) 0.058(3) Uani 1 1 d U . .
N8 N 0.2104(4) -0.1313(5) 0.3644(3) 0.082(4) Uani 1 1 d U . .
N9 N 0.0139(3) 0.0278(4) 0.2157(2) 0.060(3) Uani 1 1 d U . .
N10 N 0.1984(4) -0.1555(5) 0.2752(3) 0.074(4) Uani 1 1 d U . .
N11 N 0.0449(3) 0.0836(4) 0.1130(3) 0.067(3) Uani 1 1 d DU . .
N12 N 0.1581(3) -0.1488(4) 0.1770(2) 0.069(4) Uani 1 1 d U . .
N13 N 0.1286(3) 0.2295(4) 0.1012(2) 0.057(3) Uani 1 1 d U . .
N14 N 0.2341(3) -0.0421(4) 0.1034(2) 0.062(3) Uani 1 1 d U . .
N15 N 0.2385(3) 0.3349(4) 0.1055(2) 0.053(3) Uani 1 1 d U . .
N16 N 0.3429(3) 0.0654(4) 0.0995(2) 0.063(3) Uani 1 1 d U . .
N17 N 0.3316(4) 0.4379(4) 0.1792(2) 0.072(4) Uani 1 1 d U . .
N18 N 0.4305(4) 0.2014(5) 0.1157(3) 0.082(4) Uani 1 1 d U . .
N19 N 0.3094(3) 0.4399(4) 0.2784(2) 0.067(3) Uani 1 1 d U . .
N20 N 0.4804(3) 0.2523(4) 0.2217(2) 0.063(3) Uani 1 1 d U . .
N21 N 0.3073(3) 0.4083(4) 0.3704(2) 0.062(3) Uani 1 1 d U . .
N22 N 0.4793(4) 0.2209(4) 0.3152(3) 0.072(4) Uani 1 1 d U . .
O1 O 0.1116(4) 0.2949(5) 0.4759(3) 0.117(4) Uani 1 1 d U . .
O2 O 0.1701(4) 0.3141(6) 0.4498(3) 0.135(5) Uani 1 1 d U . .
O3 O 0.5166(3) 0.1489(3) 0.3724(2) 0.065(3) Uani 1 1 d U . .
O4 O 0.5773(3) 0.1471(4) 0.3448(2) 0.081(3) Uani 1 1 d U . .
O5 O 0.0065(3) 0.1703(3) 0.4248(2) 0.064(3) Uani 1 1 d U . .
O6 O 0.0764(3) 0.1874(3) 0.41470(18) 0.058(2) Uani 1 1 d U . .
O7 O 0.4432(3) 0.0964(3) 0.4205(2) 0.065(3) Uani 1 1 d U . .
O8 O 0.5147(3) 0.1156(3) 0.4322(2) 0.065(3) Uani 1 1 d U . .
O9 O -0.0685(3) 0.1346(4) 0.3384(2) 0.084(3) Uani 1 1 d U . .
O10 O -0.0028(3) 0.1309(4) 0.3668(2) 0.077(3) Uani 1 1 d U . .
O11 O 0.3538(3) -0.0442(4) 0.4579(2) 0.072(3) Uani 1 1 d U . .
O12 O 0.4164(3) -0.0250(3) 0.48638(19) 0.064(3) Uani 1 1 d U . .
O13 O -0.0350(2) 0.1210(3) 0.21758(18) 0.055(2) Uani 1 1 d U . .
O14 O 0.0144(3) 0.1002(3) 0.25609(18) 0.055(2) Uani 1 1 d U . .
O15 O 0.2713(3) -0.1130(3) 0.4028(2) 0.065(3) Uani 1 1 d U . .
O16 O 0.3045(3) -0.1345(4) 0.4508(2) 0.080(3) Uani 1 1 d U . .
O17 O -0.0344(3) 0.1220(4) 0.12982(19) 0.067(3) Uani 1 1 d U . .
O18 O 0.0088(3) 0.0911(3) 0.17298(19) 0.061(3) Uani 1 1 d U . .
O19 O 0.2571(3) -0.1480(3) 0.3191(2) 0.076(3) Uani 1 1 d U . .
O20 O 0.2914(3) -0.1885(4) 0.3607(2) 0.097(4) Uani 1 1 d DU . .
O21 O 0.0216(3) 0.2511(4) 0.0712(2) 0.070(3) Uani 1 1 d U . .
O22 O 0.0334(2) 0.1842(3) 0.10543(18) 0.053(2) Uani 1 1 d U . .
O23 O 0.2154(3) -0.2062(3) 0.2096(2) 0.077(3) Uani 1 1 d U . .
O24 O 0.2244(3) -0.2722(4) 0.2433(3) 0.106(4) Uani 1 1 d U . .
O25 O 0.1705(2) 0.4017(3) 0.11603(18) 0.056(2) Uani 1 1 d U . .
O26 O 0.1605(2) 0.3153(3) 0.12329(17) 0.052(2) Uani 1 1 d U . .
O27 O 0.2304(3) -0.1193(3) 0.13958(19) 0.068(3) Uani 1 1 d U . .
O28 O 0.2150(3) -0.2059(3) 0.1436(2) 0.071(3) Uani 1 1 d U . .
O29 O 0.2664(3) 0.4970(3) 0.15046(18) 0.058(2) Uani 1 1 d U . .
O30 O 0.2505(3) 0.4079(3) 0.14330(18) 0.058(3) Uani 1 1 d U . .
O31 O 0.3163(3) -0.0255(3) 0.1187(2) 0.069(3) Uani 1 1 d U . .
O32 O 0.3023(3) -0.1093(3) 0.1076(2) 0.085(3) Uani 1 1 d U . .
O33 O 0.2807(3) 0.5534(4) 0.2512(2) 0.088(3) Uani 1 1 d U . .
O34 O 0.2829(3) 0.4910(3) 0.2152(2) 0.068(3) Uani 1 1 d U . .
O35 O 0.4438(3) 0.1004(3) 0.1081(2) 0.077(3) Uani 1 1 d U . .
O36 O 0.4423(3) 0.0334(4) 0.0737(2) 0.095(4) Uani 1 1 d U . .
O37 O 0.2294(3) 0.4692(3) 0.3626(2) 0.084(3) Uani 1 1 d U . .
O38 O 0.2561(3) 0.4322(3) 0.3206(2) 0.066(3) Uani 1 1 d U . .
O39 O 0.4794(3) 0.1916(3) 0.17698(19) 0.062(3) Uani 1 1 d U . .
O40 O 0.5142(3) 0.1633(3) 0.1349(2) 0.073(3) Uani 1 1 d U . .
O41 O 0.2083(5) 0.4051(6) 0.4438(3) 0.177(7) Uani 1 1 d DU . .
O42 O 0.2473(3) 0.3873(3) 0.4015(2) 0.077(3) Uani 1 1 d U . .
O43 O 0.4855(2) 0.1800(3) 0.26132(17) 0.047(2) Uani 1 1 d U . .
O44 O 0.5308(2) 0.1623(3) 0.22463(19) 0.061(3) Uani 1 1 d U . .
O131 O 0.1112(5) 0.4387(5) 0.4587(4) 0.1734(4) Uani 1 1 d DU . .
H13A H 0.1011 0.4376 0.4731 0.260 Uiso 1 1 calc R . .
C1 C 0.0791(6) 0.2887(8) 0.4910(5) 0.133(8) Uani 1 1 d U . .
H1A H 0.0795 0.2582 0.4986 0.199 Uiso 1 1 calc R . .
H1B H 0.0565 0.2926 0.4794 0.199 Uiso 1 1 calc R . .
H1C H 0.0795 0.3109 0.5053 0.199 Uiso 1 1 calc R . .
C2 C 0.1456(6) 0.2871(7) 0.4887(4) 0.093(6) Uani 1 1 d U . .
C3 C 0.1492(7) 0.2610(8) 0.5124(5) 0.125(8) Uani 1 1 d U . .
H3A H 0.1284 0.2510 0.5214 0.150 Uiso 1 1 calc R . .
C4 C 0.1854(11) 0.2515(11) 0.5212(7) 0.192(13) Uani 1 1 d U . .
H4A H 0.1890 0.2386 0.5383 0.230 Uiso 1 1 calc R . .
C5 C 0.2166(7) 0.2584(8) 0.5081(5) 0.125(8) Uani 1 1 d U . .
H5A H 0.2404 0.2487 0.5151 0.150 Uiso 1 1 calc R . .
C6 C 0.2115(6) 0.2815(7) 0.4828(4) 0.095(6) Uani 1 1 d DU . .
C7 C 0.1765(5) 0.2965(6) 0.4717(4) 0.079(5) Uani 1 1 d U . .
C8 C 0.2470(5) 0.2845(6) 0.4692(4) 0.086(5) Uani 1 1 d DU . .
H8A H 0.2686 0.2728 0.4785 0.104 Uiso 1 1 calc R . .
C9 C 0.2922(6) 0.2978(7) 0.4374(4) 0.115(7) Uani 1 1 d DU . .
H9A H 0.2983 0.3253 0.4275 0.138 Uiso 1 1 calc R . .
H9B H 0.3101 0.2952 0.4530 0.138 Uiso 1 1 calc R . .
C10 C 0.2952(6) 0.2573(6) 0.4202(4) 0.101(6) Uani 1 1 d DU . .
H10A H 0.2749 0.2590 0.4060 0.121 Uiso 1 1 calc R . .
H10B H 0.2905 0.2304 0.4310 0.121 Uiso 1 1 calc R . .
C11 C 0.3323(6) 0.2497(8) 0.4068(4) 0.122(7) Uani 1 1 d DU . .
H11A H 0.3374 0.2771 0.3965 0.146 Uiso 1 1 calc R . .
H11B H 0.3284 0.2247 0.3940 0.146 Uiso 1 1 calc R . .
C12 C 0.3691(5) 0.2386(7) 0.4255(4) 0.107(6) Uani 1 1 d DU . .
H12A H 0.3745 0.2640 0.4378 0.128 Uiso 1 1 calc R . .
H12B H 0.3646 0.2114 0.4362 0.128 Uiso 1 1 calc R . .
C13 C 0.4026(5) 0.2305(6) 0.4094(3) 0.085(5) Uani 1 1 d U . .
H13B H 0.3965 0.2058 0.3966 0.102 Uiso 1 1 calc R . .
H13C H 0.4071 0.2580 0.3990 0.102 Uiso 1 1 calc R . .
C14 C 0.4376(5) 0.2186(6) 0.4251(3) 0.079(5) Uani 1 1 d U . .
H14A H 0.4328 0.1933 0.4371 0.094 Uiso 1 1 calc R . .
H14B H 0.4462 0.2447 0.4359 0.094 Uiso 1 1 calc R . .
C15 C 0.4984(5) 0.2306(6) 0.4065(3) 0.073(5) Uani 1 1 d U . .
H15A H 0.4998 0.2562 0.4178 0.087 Uiso 1 1 calc R . .
C16 C 0.5299(5) 0.2227(6) 0.3903(3) 0.075(5) Uani 1 1 d U . .
C17 C 0.5571(5) 0.2623(7) 0.3911(4) 0.096(6) Uani 1 1 d U . .
H17A H 0.5516 0.2882 0.4012 0.115 Uiso 1 1 calc R . .
C18 C 0.5904(6) 0.2619(7) 0.3772(4) 0.111(7) Uani 1 1 d DU . .
H18A H 0.6072 0.2866 0.3778 0.134 Uiso 1 1 calc R . .
C19 C 0.5969(6) 0.2214(6) 0.3622(4) 0.100(6) Uani 1 1 d DU . .
H19A H 0.6190 0.2190 0.3531 0.120 Uiso 1 1 calc R . .
C20 C 0.5713(5) 0.1853(6) 0.3607(3) 0.076(5) Uani 1 1 d U . .
C21 C 0.5377(5) 0.1865(6) 0.3751(3) 0.075(5) Uani 1 1 d U . .
C22 C 0.6130(5) 0.1421(6) 0.3340(4) 0.094(6) Uani 1 1 d U . .
H22A H 0.6193 0.1698 0.3248 0.141 Uiso 1 1 calc R . .
H22B H 0.6120 0.1169 0.3214 0.141 Uiso 1 1 calc R . .
H22C H 0.6319 0.1360 0.3483 0.141 Uiso 1 1 calc R . .
C23 C -0.0313(5) 0.1537(6) 0.4278(4) 0.095(6) Uani 1 1 d U . .
H23A H -0.0463 0.1578 0.4111 0.143 Uiso 1 1 calc R . .
H23B H -0.0425 0.1706 0.4418 0.143 Uiso 1 1 calc R . .
H23C H -0.0304 0.1216 0.4324 0.143 Uiso 1 1 calc R . .
C24 C 0.0322(5) 0.1681(5) 0.4470(3) 0.069(4) Uani 1 1 d U . .
C25 C 0.0235(5) 0.1567(5) 0.4726(3) 0.079(5) Uani 1 1 d U . .
H25A H -0.0014 0.1513 0.4768 0.094 Uiso 1 1 calc R . .
C26 C 0.0536(5) 0.1535(6) 0.4920(4) 0.086(5) Uani 1 1 d U . .
H26A H 0.0483 0.1474 0.5097 0.103 Uiso 1 1 calc R . .
C27 C 0.0902(5) 0.1589(6) 0.4861(4) 0.086(5) Uani 1 1 d U . .
H27A H 0.1099 0.1530 0.4990 0.103 Uiso 1 1 calc R . .
C28 C 0.0979(4) 0.1735(5) 0.4601(3) 0.057(4) Uani 1 1 d U . .
C29 C 0.0698(4) 0.1769(5) 0.4401(3) 0.058(4) Uani 1 1 d U . .
C30 C 0.1374(5) 0.1773(5) 0.4553(3) 0.072(5) Uani 1 1 d U . .
H30A H 0.1538 0.1688 0.4699 0.086 Uiso 1 1 calc R . .
C31 C 0.1976(4) 0.1868(6) 0.4348(3) 0.078(5) Uani 1 1 d U . .
H31A H 0.2080 0.1741 0.4518 0.093 Uiso 1 1 calc R . .
H31B H 0.2090 0.2167 0.4320 0.093 Uiso 1 1 calc R . .
C32 C 0.2043(4) 0.1533(6) 0.4106(4) 0.084(5) Uani 1 1 d DU . .
H32O H 0.1912 0.1244 0.4131 0.101 Uiso 1 1 calc R . .
H32A H 0.1946 0.1669 0.3937 0.101 Uiso 1 1 calc R . .
C33 C 0.2474(5) 0.1450(9) 0.4102(5) 0.1520(4) Uani 1 1 d DU . .
H33A H 0.2569 0.1758 0.4139 0.182 Uiso 1 1 calc R . .
H33B H 0.2522 0.1287 0.4271 0.182 Uiso 1 1 calc R . .
C34 C 0.2780(5) 0.1265(7) 0.3946(4) 0.1661(4) Uani 1 1 d DU . .
H34C H 0.2851 0.1483 0.3810 0.199 Uiso 1 1 calc R . .
H34D H 0.2703 0.0978 0.3858 0.199 Uiso 1 1 calc R . .
C35 C 0.3112(5) 0.1185(6) 0.4162(4) 0.091(6) Uani 1 1 d DU . .
H35A H 0.3330 0.1213 0.4053 0.110 Uiso 1 1 calc R . .
H35B H 0.3109 0.1472 0.4262 0.110 Uiso 1 1 calc R . .
C36 C 0.3264(5) 0.0854(6) 0.4380(4) 0.089(5) Uani 1 1 d U . .
H36A H 0.3170 0.0546 0.4340 0.107 Uiso 1 1 calc R . .
H36B H 0.3177 0.0946 0.4553 0.107 Uiso 1 1 calc R . .
C37 C 0.3867(5) 0.0981(5) 0.4603(3) 0.064(4) Uani 1 1 d U . .
H37A H 0.3714 0.1053 0.4743 0.077 Uiso 1 1 calc R . .
C38 C 0.4278(5) 0.1035(5) 0.4665(3) 0.069(4) Uani 1 1 d U . .
C39 C 0.4400(5) 0.1125(6) 0.4935(4) 0.085(5) Uani 1 1 d U . .
H39A H 0.4229 0.1135 0.5070 0.102 Uiso 1 1 calc R . .
C40 C 0.4782(6) 0.1197(6) 0.4994(4) 0.099(6) Uani 1 1 d U . .
H40A H 0.4864 0.1239 0.5174 0.119 Uiso 1 1 calc R . .
C41 C 0.5056(5) 0.1212(5) 0.4805(3) 0.077(5) Uani 1 1 d U . .
H41A H 0.5311 0.1263 0.4854 0.093 Uiso 1 1 calc R . .
C42 C 0.4922(5) 0.1145(5) 0.4535(3) 0.066(4) Uani 1 1 d U . .
C43 C 0.4530(5) 0.1019(5) 0.4459(3) 0.062(4) Uani 1 1 d U . .
C44 C 0.5538(5) 0.1286(5) 0.4377(3) 0.078(5) Uani 1 1 d U . .
H44A H 0.5668 0.1266 0.4213 0.117 Uiso 1 1 calc R . .
H44B H 0.5656 0.1081 0.4509 0.117 Uiso 1 1 calc R . .
H44C H 0.5551 0.1595 0.4444 0.117 Uiso 1 1 calc R . .
C45 C -0.1062(5) 0.1434(6) 0.3267(4) 0.098(6) Uani 1 1 d U . .
H45A H -0.1180 0.1149 0.3213 0.148 Uiso 1 1 calc R . .
H45B H -0.1048 0.1631 0.3113 0.148 Uiso 1 1 calc R . .
H45C H -0.1209 0.1582 0.3399 0.148 Uiso 1 1 calc R . .
C46 C -0.0600(5) 0.0951(6) 0.3534(4) 0.080(5) Uani 1 1 d U . .
C47 C -0.0845(6) 0.0525(7) 0.3533(4) 0.103(6) Uani 1 1 d U . .
H47A H -0.1078 0.0518 0.3434 0.123 Uiso 1 1 calc R . .
C48 C -0.0729(6) 0.0173(7) 0.3669(4) 0.102(6) Uani 1 1 d U . .
H48A H -0.0889 -0.0081 0.3670 0.123 Uiso 1 1 calc R . .
C49 C -0.0398(5) 0.0144(6) 0.3809(3) 0.082(5) Uani 1 1 d U . .
H49A H -0.0327 -0.0129 0.3896 0.099 Uiso 1 1 calc R . .
C50 C -0.0148(5) 0.0533(6) 0.3825(3) 0.081(5) Uani 1 1 d U . .
C51 C -0.0252(5) 0.0949(5) 0.3670(3) 0.060(4) Uani 1 1 d U . .
C52 C 0.0200(5) 0.0482(6) 0.3987(3) 0.077(5) Uani 1 1 d U . .
H52A H 0.0222 0.0205 0.4081 0.092 Uiso 1 1 calc R . .
C53 C 0.0801(5) 0.0607(6) 0.4223(4) 0.087(5) Uani 1 1 d U . .
H53B H 0.0710 0.0353 0.4328 0.105 Uiso 1 1 calc R . .
H53A H 0.0872 0.0856 0.4346 0.105 Uiso 1 1 calc R . .
C54 C 0.1136(5) 0.0458(6) 0.4081(4) 0.087(5) Uani 1 1 d U . .
H54B H 0.1191 0.0699 0.3954 0.104 Uiso 1 1 calc R . .
H54A H 0.1061 0.0188 0.3975 0.104 Uiso 1 1 calc R . .
C55 C 0.1525(6) 0.0337(7) 0.4249(4) 0.117(7) Uani 1 1 d U . .
H55A H 0.1620 0.0609 0.4343 0.140 Uiso 1 1 calc R . .
H55B H 0.1477 0.0104 0.4383 0.140 Uiso 1 1 calc R . .
C56 C 0.1827(6) 0.0158(9) 0.4063(5) 0.143(9) Uani 1 1 d DU . .
H56B H 0.1810 0.0349 0.3903 0.172 Uiso 1 1 calc R . .
H56A H 0.1748 -0.0149 0.4006 0.172 Uiso 1 1 calc R . .
C57 C 0.2253(6) 0.0126(7) 0.4158(5) 0.150(9) Uani 1 1 d DU . .
H57A H 0.2401 0.0055 0.4006 0.180 Uiso 1 1 calc R . .
H57B H 0.2340 0.0419 0.4233 0.180 Uiso 1 1 calc R . .
C58 C 0.2311(5) -0.0250(5) 0.4373(3) 0.075(5) Uani 1 1 d DU . .
H58A H 0.2147 -0.0192 0.4518 0.090 Uiso 1 1 calc R . .
H58B H 0.2242 -0.0546 0.4294 0.090 Uiso 1 1 calc R . .
C59 C 0.2786(4) -0.0079(5) 0.4707(3) 0.055(4) Uani 1 1 d DU . .
H59A H 0.2574 0.0024 0.4791 0.066 Uiso 1 1 calc R . .
C60 C 0.3146(4) -0.0004(5) 0.4863(3) 0.067(4) Uani 1 1 d DU . .
C61 C 0.3137(5) 0.0280(6) 0.5093(3) 0.080(5) Uani 1 1 d U . .
H61A H 0.2909 0.0411 0.5136 0.096 Uiso 1 1 calc R . .
C62 C 0.3476(5) 0.0370(6) 0.5263(4) 0.090(5) Uani 1 1 d U . .
H62A H 0.3468 0.0539 0.5421 0.107 Uiso 1 1 calc R . .
C63 C 0.3821(5) 0.0191(6) 0.5178(3) 0.076(5) Uani 1 1 d U . .
H63A H 0.4046 0.0254 0.5280 0.091 Uiso 1 1 calc R . .
C64 C 0.3835(4) -0.0064(5) 0.4958(3) 0.063(4) Uani 1 1 d U . .
C65 C 0.3494(5) -0.0188(5) 0.4786(3) 0.065(4) Uani 1 1 d U . .
C66 C 0.4510(4) -0.0176(5) 0.5022(3) 0.071(4) Uani 1 1 d U . .
H66A H 0.4527 0.0141 0.5075 0.106 Uiso 1 1 calc R . .
H66B H 0.4720 -0.0253 0.4917 0.106 Uiso 1 1 calc R . .
H66C H 0.4515 -0.0367 0.5179 0.106 Uiso 1 1 calc R . .
C67 C -0.0632(4) 0.1425(5) 0.1990(3) 0.075(5) Uani 1 1 d U . .
H67A H -0.0828 0.1207 0.1939 0.112 Uiso 1 1 calc R . .
H67B H -0.0513 0.1527 0.1832 0.112 Uiso 1 1 calc R . .
H67C H -0.0741 0.1685 0.2077 0.112 Uiso 1 1 calc R . .
C68 C -0.0499(4) 0.0989(5) 0.2398(3) 0.052(4) Uani 1 1 d U . .
C69 C -0.0867(4) 0.0897(5) 0.2419(3) 0.067(4) Uani 1 1 d U . .
H69A H -0.1043 0.0994 0.2282 0.080 Uiso 1 1 calc R . .
C70 C -0.0996(5) 0.0659(6) 0.2639(4) 0.088(5) Uani 1 1 d U . .
H70A H -0.1253 0.0604 0.2655 0.106 Uiso 1 1 calc R . .
C71 C -0.0715(5) 0.0503(6) 0.2838(3) 0.082(5) Uani 1 1 d U . .
H71A H -0.0786 0.0312 0.2976 0.098 Uiso 1 1 calc R . .
C72 C -0.0325(4) 0.0638(5) 0.2827(3) 0.066(4) Uani 1 1 d U . .
C73 C -0.0221(4) 0.0872(5) 0.2595(3) 0.058(4) Uani 1 1 d U . .
C74 C -0.0073(4) 0.0481(5) 0.3049(3) 0.061(4) Uani 1 1 d U . .
H74A H -0.0186 0.0290 0.3170 0.073 Uiso 1 1 calc R . .
C75 C 0.0486(4) 0.0312(5) 0.3319(3) 0.065(4) Uani 1 1 d U . .
H75A H 0.0312 0.0138 0.3423 0.078 Uiso 1 1 calc R . .
H75B H 0.0617 0.0532 0.3440 0.078 Uiso 1 1 calc R . .
C76 C 0.0767(4) -0.0005(5) 0.3210(3) 0.054(4) Uani 1 1 d U . .
H76A H 0.0923 0.0167 0.3092 0.065 Uiso 1 1 calc R . .
H76B H 0.0632 -0.0238 0.3102 0.065 Uiso 1 1 calc R . .
C77 C 0.1022(5) -0.0238(5) 0.3422(3) 0.074(5) Uani 1 1 d U . .
H77A H 0.1185 -0.0008 0.3511 0.089 Uiso 1 1 calc R . .
H77B H 0.0865 -0.0366 0.3557 0.089 Uiso 1 1 calc R . .
C78 C 0.1265(4) -0.0612(6) 0.3321(3) 0.072(4) Uani 1 1 d U . .
H78A H 0.1392 -0.0501 0.3167 0.086 Uiso 1 1 calc R . .
H78B H 0.1104 -0.0869 0.3262 0.086 Uiso 1 1 calc R . .
C79 C 0.1570(5) -0.0786(6) 0.3542(3) 0.080(5) Uani 1 1 d U . .
H79A H 0.1749 -0.0540 0.3588 0.096 Uiso 1 1 calc R . .
H79B H 0.1447 -0.0872 0.3703 0.096 Uiso 1 1 calc R . .
C80 C 0.1780(5) -0.1198(6) 0.3436(3) 0.081(5) Uani 1 1 d U . .
H80A H 0.1881 -0.1125 0.3264 0.097 Uiso 1 1 calc R . .
H80B H 0.1610 -0.1458 0.3411 0.097 Uiso 1 1 calc R . .
C81 C 0.2032(5) -0.1600(6) 0.3810(4) 0.092(6) Uani 1 1 d U . .
H81A H 0.1801 -0.1754 0.3780 0.110 Uiso 1 1 calc R . .
C82 C 0.2262(6) -0.1732(7) 0.4050(4) 0.107(6) Uani 1 1 d DU . .
C83 C 0.2122(7) -0.2105(7) 0.4203(5) 0.127(8) Uani 1 1 d DU . .
H83A H 0.1897 -0.2250 0.4143 0.152 Uiso 1 1 calc R . .
C84 C 0.2325(8) -0.2265(10) 0.4454(6) 0.169(11) Uani 1 1 d U . .
H84A H 0.2264 -0.2536 0.4540 0.203 Uiso 1 1 calc R . .
C85 C 0.2620(7) -0.1975(7) 0.4552(5) 0.120(7) Uani 1 1 d U . .
H85A H 0.2735 -0.2028 0.4723 0.144 Uiso 1 1 calc R . .
C86 C 0.2744(6) -0.1611(7) 0.4402(4) 0.097(6) Uani 1 1 d U . .
C87 C 0.2583(5) -0.1491(6) 0.4163(4) 0.080(5) Uani 1 1 d U . .
C88 C 0.3181(6) -0.1410(7) 0.4772(4) 0.117(7) Uani 1 1 d U . .
H88A H 0.2971 -0.1444 0.4884 0.176 Uiso 1 1 calc R . .
H88B H 0.3331 -0.1150 0.4831 0.176 Uiso 1 1 calc R . .
H88C H 0.3335 -0.1683 0.4784 0.176 Uiso 1 1 calc R . .
C89 C -0.0561(5) 0.1370(6) 0.1062(4) 0.093(6) Uani 1 1 d U . .
H89A H -0.0826 0.1323 0.1085 0.140 Uiso 1 1 calc R . .
H89B H -0.0488 0.1198 0.0909 0.140 Uiso 1 1 calc R . .
H89C H -0.0515 0.1692 0.1034 0.140 Uiso 1 1 calc R . .
C90 C -0.0468(4) 0.0829(5) 0.1417(3) 0.055(4) Uani 1 1 d U . .
C91 C -0.0806(5) 0.0600(6) 0.1332(3) 0.070(4) Uani 1 1 d U . .
H91A H -0.0956 0.0714 0.1186 0.084 Uiso 1 1 calc R . .
C92 C -0.0915(5) 0.0213(6) 0.1460(3) 0.078(5) Uani 1 1 d U . .
H92A H -0.1128 0.0049 0.1394 0.093 Uiso 1 1 calc R . .
C93 C -0.0696(5) 0.0060(6) 0.1699(3) 0.073(5) Uani 1 1 d U . .
H93A H -0.0779 -0.0191 0.1796 0.088 Uiso 1 1 calc R . .
C94 C -0.0348(4) 0.0293(5) 0.1789(3) 0.057(4) Uani 1 1 d U . .
C95 C -0.0245(5) 0.0669(5) 0.1643(3) 0.065(4) Uani 1 1 d U . .
C96 C -0.0146(4) 0.0099(5) 0.2012(3) 0.056(4) Uani 1 1 d U . .
H96A H -0.0223 -0.0193 0.2063 0.067 Uiso 1 1 calc R . .
C97 C 0.0307(4) -0.0018(4) 0.2376(3) 0.055(4) Uani 1 1 d DU . .
H97A H 0.0107 -0.0197 0.2451 0.066 Uiso 1 1 calc R . .
H97B H 0.0420 0.0175 0.2519 0.066 Uiso 1 1 calc R . .
C98 C 0.0616(4) -0.0353(5) 0.2280(3) 0.071(4) Uani 1 1 d DU . .
H98A H 0.0495 -0.0598 0.2173 0.085 Uiso 1 1 calc R . .
H98B H 0.0783 -0.0187 0.2166 0.085 Uiso 1 1 calc R . .
C99 C 0.0849(4) -0.0559(5) 0.2517(3) 0.058(4) Uani 1 1 d U . .
H99A H 0.0976 -0.0315 0.2621 0.070 Uiso 1 1 calc R . .
H99B H 0.0682 -0.0717 0.2634 0.070 Uiso 1 1 calc R . .
C100 C 0.1138(5) -0.0889(5) 0.2428(3) 0.072(5) Uani 1 1 d U . .
H10C H 0.1274 -0.0743 0.2288 0.086 Uiso 1 1 calc R . .
H10D H 0.1006 -0.1154 0.2348 0.086 Uiso 1 1 calc R . .
C101 C 0.1430(4) -0.1061(5) 0.2650(3) 0.064(4) Uani 1 1 d U . .
H10E H 0.1594 -0.0809 0.2711 0.077 Uiso 1 1 calc R . .
H10F H 0.1299 -0.1173 0.2802 0.077 Uiso 1 1 calc R . .
C102 C 0.1663(4) -0.1437(5) 0.2543(3) 0.073(5) Uani 1 1 d U . .
H10G H 0.1768 -0.1339 0.2376 0.088 Uiso 1 1 calc R . .
H10H H 0.1506 -0.1706 0.2505 0.088 Uiso 1 1 calc R . .
C103 C 0.1922(5) -0.1940(6) 0.2877(4) 0.089(5) Uani 1 1 d U . .
H10I H 0.1715 -0.2116 0.2813 0.107 Uiso 1 1 calc R . .
C104 C 0.2140(6) -0.2106(7) 0.3099(4) 0.108(7) Uani 1 1 d U . .
C105 C 0.2050(7) -0.2585(8) 0.3142(5) 0.137(8) Uani 1 1 d U . .
H10J H 0.1902 -0.2752 0.3015 0.165 Uiso 1 1 calc R . .
C106 C 0.2201(8) -0.2788(11) 0.3389(7) 0.200(13) Uani 1 1 d DU . .
H10K H 0.2076 -0.3036 0.3461 0.240 Uiso 1 1 calc R . .
C107 C 0.2547(6) -0.2610(8) 0.3529(5) 0.139(8) Uani 1 1 d DU . .
H10L H 0.2703 -0.2781 0.3650 0.166 Uiso 1 1 calc R . .
C108 C 0.2615(5) -0.2170(6) 0.3462(4) 0.097(6) Uani 1 1 d DU . .
C109 C 0.2473(5) -0.1918(6) 0.3236(4) 0.082(5) Uani 1 1 d U . .
C110 C 0.3177(5) -0.2124(6) 0.3824(4) 0.108(6) Uani 1 1 d DU . .
H11C H 0.3116 -0.2021 0.3999 0.162 Uiso 1 1 calc R . .
H11D H 0.3436 -0.2049 0.3796 0.162 Uiso 1 1 calc R . .
H11E H 0.3142 -0.2451 0.3811 0.162 Uiso 1 1 calc R . .
C111 C 0.0062(5) 0.2893(6) 0.0537(4) 0.101(6) Uani 1 1 d U . .
H11F H 0.0118 0.2835 0.0353 0.152 Uiso 1 1 calc R . .
H11G H 0.0177 0.3178 0.0596 0.152 Uiso 1 1 calc R . .
H11H H -0.0208 0.2912 0.0548 0.152 Uiso 1 1 calc R . .
C112 C 0.0196(4) 0.2082(6) 0.0604(3) 0.063(4) Uani 1 1 d U . .
C113 C 0.0083(5) 0.1954(6) 0.0339(4) 0.086(5) Uani 1 1 d U . .
H11I H 0.0001 0.2177 0.0214 0.103 Uiso 1 1 calc R . .
C114 C 0.0093(6) 0.1509(8) 0.0264(5) 0.118(7) Uani 1 1 d U . .
H11J H 0.0028 0.1440 0.0084 0.142 Uiso 1 1 calc R . .
C115 C 0.0185(6) 0.1177(8) 0.0421(4) 0.106(6) Uani 1 1 d U . .
H11K H 0.0193 0.0876 0.0358 0.127 Uiso 1 1 calc R . .
C116 C 0.0273(5) 0.1283(6) 0.0697(3) 0.068(4) Uani 1 1 d U . .
C117 C 0.0268(4) 0.1728(5) 0.0793(3) 0.056(4) Uani 1 1 d U . .
C118 C 0.0365(5) 0.0883(6) 0.0857(3) 0.082(5) Uani 1 1 d DU . .
H11L H 0.0368 0.0610 0.0759 0.099 Uiso 1 1 calc R . .
C119 C 0.0527(5) 0.0384(6) 0.1226(4) 0.095(6) Uani 1 1 d U . .
H11M H 0.0460 0.0165 0.1083 0.114 Uiso 1 1 calc R . .
H11N H 0.0372 0.0319 0.1375 0.114 Uiso 1 1 calc R . .
C120 C 0.0942(5) 0.0328(5) 0.1317(4) 0.093(6) Uani 1 1 d DU . .
H12C H 0.1021 0.0575 0.1440 0.112 Uiso 1 1 calc R . .
H12D H 0.1097 0.0341 0.1163 0.112 Uiso 1 1 calc R . .
C121 C 0.0994(5) -0.0149(6) 0.1463(4) 0.118(7) Uani 1 1 d DU . .
H12E H 0.0866 -0.0148 0.1630 0.141 Uiso 1 1 calc R . .
H12F H 0.0885 -0.0392 0.1348 0.141 Uiso 1 1 calc R . .
C122 C 0.1413(5) -0.0229(7) 0.1520(4) 0.113(7) Uani 1 1 d DU . .
H12G H 0.1530 0.0042 0.1604 0.135 Uiso 1 1 calc R . .
H12H H 0.1532 -0.0287 0.1353 0.135 Uiso 1 1 calc R . .
C123 C 0.1470(6) -0.0648(6) 0.1711(4) 0.097(6) Uani 1 1 d U . .
H12I H 0.1731 -0.0643 0.1786 0.116 Uiso 1 1 calc R . .
H12J H 0.1310 -0.0603 0.1860 0.116 Uiso 1 1 calc R . .
C124 C 0.1389(5) -0.1136(6) 0.1596(4) 0.091(6) Uani 1 1 d U . .
H12K H 0.1118 -0.1192 0.1583 0.109 Uiso 1 1 calc R . .
H12L H 0.1478 -0.1156 0.1416 0.109 Uiso 1 1 calc R . .
C125 C 0.1386(5) -0.1801(6) 0.1861(3) 0.083(5) Uani 1 1 d U . .
H12M H 0.1131 -0.1790 0.1800 0.099 Uiso 1 1 calc R . .
C126 C 0.1474(5) -0.2177(6) 0.2043(3) 0.068(4) Uani 1 1 d U . .
C127 C 0.1176(5) -0.2455(6) 0.2100(4) 0.084(5) Uani 1 1 d U . .
H12N H 0.0941 -0.2416 0.2006 0.101 Uiso 1 1 calc R . .
C128 C 0.1219(6) -0.2771(6) 0.2283(4) 0.092(6) Uani 1 1 d U . .
H12O H 0.0998 -0.2904 0.2340 0.110 Uiso 1 1 calc R . .
C129 C 0.1567(6) -0.2937(8) 0.2407(5) 0.117(7) Uani 1 1 d U . .
H12P H 0.1591 -0.3190 0.2522 0.140 Uiso 1 1 calc R . .
C130 C 0.1878(5) -0.2656(6) 0.2330(4) 0.077(5) Uani 1 1 d U . .
C131 C 0.1841(5) -0.2283(6) 0.2150(4) 0.086(5) Uani 1 1 d U . .
C132 C 0.2325(6) -0.3117(7) 0.2613(4) 0.129(8) Uani 1 1 d U . .
H13D H 0.2150 -0.3117 0.2753 0.193 Uiso 1 1 calc R . .
H13E H 0.2580 -0.3094 0.2692 0.193 Uiso 1 1 calc R . .
H13F H 0.2298 -0.3397 0.2511 0.193 Uiso 1 1 calc R . .
C133 C 0.1716(4) 0.4515(5) 0.1140(3) 0.068(4) Uani 1 1 d U . .
H13G H 0.1463 0.4631 0.1106 0.102 Uiso 1 1 calc R . .
H13H H 0.1869 0.4602 0.0996 0.102 Uiso 1 1 calc R . .
H13I H 0.1824 0.4641 0.1307 0.102 Uiso 1 1 calc R . .
C134 C 0.1484(4) 0.3792(5) 0.0969(3) 0.056(4) Uani 1 1 d U . .
C135 C 0.1306(4) 0.4034(6) 0.0750(3) 0.070(4) Uani 1 1 d U . .
H13J H 0.1340 0.4349 0.0728 0.084 Uiso 1 1 calc R . .
C136 C 0.1075(5) 0.3774(7) 0.0569(4) 0.093(6) Uani 1 1 d U . .
H13K H 0.0940 0.3922 0.0427 0.111 Uiso 1 1 calc R . .
C137 C 0.1038(5) 0.3290(6) 0.0595(3) 0.080(5) Uani 1 1 d U . .
H13L H 0.0894 0.3120 0.0467 0.096 Uiso 1 1 calc R . .
C138 C 0.1229(4) 0.3071(5) 0.0823(3) 0.054(4) Uani 1 1 d U . .
C139 C 0.1451(4) 0.3335(4) 0.1010(2) 0.044(3) Uani 1 1 d U . .
C140 C 0.1203(4) 0.2582(5) 0.0826(3) 0.057(4) Uani 1 1 d U . .
H14C H 0.1110 0.2452 0.0664 0.068 Uiso 1 1 calc R . .
C141 C 0.1274(4) 0.1802(4) 0.0959(3) 0.053(4) Uani 1 1 d U . .
H14D H 0.1148 0.1648 0.1102 0.063 Uiso 1 1 calc R . .
H14E H 0.1127 0.1746 0.0790 0.063 Uiso 1 1 calc R . .
C142 C 0.1652(4) 0.1613(5) 0.0944(3) 0.068(4) Uani 1 1 d U . .
H14F H 0.1820 0.1740 0.1087 0.081 Uiso 1 1 calc R . .
H14G H 0.1751 0.1696 0.0773 0.081 Uiso 1 1 calc R . .
C143 C 0.1640(4) 0.1059(5) 0.0971(3) 0.061(4) Uani 1 1 d U . .
H14H H 0.1555 0.0981 0.1147 0.073 Uiso 1 1 calc R . .
H14I H 0.1455 0.0939 0.0836 0.073 Uiso 1 1 calc R . .
C144 C 0.2018(4) 0.0824(5) 0.0938(3) 0.072(5) Uani 1 1 d U . .
H14J H 0.2209 0.0955 0.1065 0.086 Uiso 1 1 calc R . .
H14K H 0.2095 0.0879 0.0757 0.086 Uiso 1 1 calc R . .
C145 C 0.1990(4) 0.0305(5) 0.0986(3) 0.067(4) Uani 1 1 d U . .
H14L H 0.1782 0.0178 0.0871 0.080 Uiso 1 1 calc R . .
H14M H 0.1936 0.0249 0.1173 0.080 Uiso 1 1 calc R . .
C146 C 0.2366(4) 0.0061(5) 0.0926(3) 0.070(4) Uani 1 1 d U . .
H14N H 0.2396 0.0055 0.0733 0.084 Uiso 1 1 calc R . .
H14O H 0.2582 0.0221 0.1013 0.084 Uiso 1 1 calc R . .
C147 C 0.2141(5) -0.0709(5) 0.0875(4) 0.084(5) Uani 1 1 d DU . .
H14P H 0.2035 -0.0591 0.0713 0.101 Uiso 1 1 calc R . .
C148 C 0.2069(4) -0.1198(5) 0.0929(3) 0.069(4) Uani 1 1 d DU . .
C149 C 0.1910(5) -0.1439(6) 0.0707(4) 0.090(5) Uani 1 1 d U . .
H14Q H 0.1862 -0.1294 0.0542 0.108 Uiso 1 1 calc R . .
C150 C 0.1824(5) -0.1908(6) 0.0741(4) 0.096(6) Uani 1 1 d U . .
H15B H 0.1716 -0.2075 0.0596 0.115 Uiso 1 1 calc R . .
C151 C 0.1894(5) -0.2112(6) 0.0975(4) 0.088(5) Uani 1 1 d U . .
H15C H 0.1826 -0.2419 0.0992 0.105 Uiso 1 1 calc R . .
C152 C 0.2059(4) -0.1893(5) 0.1190(3) 0.069(4) Uani 1 1 d U . .
C153 C 0.2149(4) -0.1391(5) 0.1172(3) 0.067(4) Uani 1 1 d U . .
C154 C 0.2040(5) -0.2546(5) 0.1473(4) 0.090(5) Uani 1 1 d U . .
H15D H 0.2097 -0.2721 0.1317 0.135 Uiso 1 1 calc R . .
H15E H 0.1773 -0.2564 0.1498 0.135 Uiso 1 1 calc R . .
H15F H 0.2180 -0.2669 0.1630 0.135 Uiso 1 1 calc R . .
C155 C 0.2771(5) 0.5431(5) 0.1553(3) 0.072(5) Uani 1 1 d U . .
H15G H 0.2625 0.5628 0.1430 0.107 Uiso 1 1 calc R . .
H15H H 0.3036 0.5468 0.1527 0.107 Uiso 1 1 calc R . .
H15I H 0.2723 0.5513 0.1735 0.107 Uiso 1 1 calc R . .
C156 C 0.2694(4) 0.4794(5) 0.1255(3) 0.062(4) Uani 1 1 d U . .
C157 C 0.2806(4) 0.5058(5) 0.1033(3) 0.068(4) Uani 1 1 d U . .
H15J H 0.2870 0.5367 0.1053 0.081 Uiso 1 1 calc R . .
C158 C 0.2814(5) 0.4842(6) 0.0789(3) 0.076(5) Uani 1 1 d U . .
H15K H 0.2880 0.5014 0.0642 0.091 Uiso 1 1 calc R . .
C159 C 0.2733(5) 0.4403(6) 0.0751(3) 0.079(5) Uani 1 1 d U . .
H15L H 0.2754 0.4277 0.0581 0.094 Uiso 1 1 calc R . .
C160 C 0.2614(4) 0.4111(5) 0.0964(3) 0.056(4) Uani 1 1 d U . .
C161 C 0.2602(4) 0.4322(5) 0.1214(3) 0.053(4) Uani 1 1 d U . .
C162 C 0.2531(4) 0.3645(4) 0.0897(3) 0.053(4) Uani 1 1 d U . .
H16A H 0.2586 0.3545 0.0726 0.063 Uiso 1 1 calc R . .
C163 C 0.2342(4) 0.2892(4) 0.0943(3) 0.054(4) Uani 1 1 d U . .
H16B H 0.2267 0.2912 0.0752 0.065 Uiso 1 1 calc R . .
H16C H 0.2145 0.2728 0.1031 0.065 Uiso 1 1 calc R . .
C164 C 0.2731(4) 0.2624(5) 0.0985(3) 0.054(4) Uani 1 1 d U . .
H16D H 0.2913 0.2756 0.0869 0.065 Uiso 1 1 calc R . .
H16E H 0.2831 0.2662 0.1171 0.065 Uiso 1 1 calc R . .
C165 C 0.2690(4) 0.2122(5) 0.0925(3) 0.058(4) Uani 1 1 d U . .
H16F H 0.2593 0.2080 0.0739 0.069 Uiso 1 1 calc R . .
H16G H 0.2509 0.1987 0.1041 0.069 Uiso 1 1 calc R . .
C166 C 0.3078(4) 0.1876(5) 0.0971(3) 0.063(4) Uani 1 1 d U . .
H16H H 0.3240 0.1969 0.0830 0.075 Uiso 1 1 calc R . .
H16I H 0.3199 0.1977 0.1143 0.075 Uiso 1 1 calc R . .
C167 C 0.3050(4) 0.1373(5) 0.0973(3) 0.064(4) Uani 1 1 d U . .
H16J H 0.2887 0.1271 0.0819 0.076 Uiso 1 1 calc R . .
H16K H 0.2938 0.1271 0.1136 0.076 Uiso 1 1 calc R . .
C168 C 0.3457(4) 0.1158(5) 0.0959(3) 0.067(4) Uani 1 1 d U . .
H16L H 0.3556 0.1226 0.0785 0.080 Uiso 1 1 calc R . .
H16M H 0.3629 0.1288 0.1099 0.080 Uiso 1 1 calc R . .
C169 C 0.3427(4) 0.0409(6) 0.0775(3) 0.076(5) Uani 1 1 d U . .
H16N H 0.3460 0.0568 0.0615 0.091 Uiso 1 1 calc R . .
C170 C 0.3378(5) -0.0090(7) 0.0754(4) 0.089(5) Uani 1 1 d U . .
C171 C 0.3433(6) -0.0261(8) 0.0484(4) 0.119(7) Uani 1 1 d U . .
H17B H 0.3501 -0.0058 0.0351 0.143 Uiso 1 1 calc R . .
C172 C 0.3384(7) -0.0716(8) 0.0422(5) 0.133(8) Uani 1 1 d DU . .
H17C H 0.3443 -0.0828 0.0254 0.159 Uiso 1 1 calc R . .
C173 C 0.3241(6) -0.1018(8) 0.0619(5) 0.124(7) Uani 1 1 d DU . .
H17E H 0.3197 -0.1327 0.0579 0.149 Uiso 1 1 calc R . .
C174 C 0.3169(5) -0.0845(6) 0.0875(4) 0.084(5) Uani 1 1 d U . .
C175 C 0.3247(5) -0.0371(5) 0.0937(3) 0.069(4) Uani 1 1 d U . .
C176 C 0.3010(5) -0.1617(5) 0.1048(4) 0.085(5) Uani 1 1 d U . .
H17F H 0.3259 -0.1731 0.1019 0.127 Uiso 1 1 calc R . .
H17G H 0.2838 -0.1699 0.0897 0.127 Uiso 1 1 calc R . .
H17H H 0.2923 -0.1750 0.1210 0.127 Uiso 1 1 calc R . .
C177 C 0.2764(6) 0.5926(7) 0.2674(5) 0.129(8) Uani 1 1 d U . .
H17I H 0.2942 0.5913 0.2828 0.193 Uiso 1 1 calc R . .
H17J H 0.2510 0.5936 0.2732 0.193 Uiso 1 1 calc R . .
H17K H 0.2810 0.6198 0.2571 0.193 Uiso 1 1 calc R . .
C178 C 0.3139(5) 0.5495(6) 0.2386(4) 0.083(5) Uani 1 1 d U . .
C179 C 0.3448(6) 0.5792(7) 0.2459(4) 0.100(6) Uani 1 1 d U . .
H17L H 0.3430 0.6034 0.2580 0.121 Uiso 1 1 calc R . .
C180 C 0.3786(6) 0.5692(7) 0.2333(4) 0.096(6) Uani 1 1 d U . .
H18B H 0.4003 0.5859 0.2385 0.116 Uiso 1 1 calc R . .
C181 C 0.3808(5) 0.5368(6) 0.2141(4) 0.086(5) Uani 1 1 d U . .
H18C H 0.4034 0.5329 0.2058 0.103 Uiso 1 1 calc R . .
C182 C 0.3482(5) 0.5074(6) 0.2063(3) 0.069(4) Uani 1 1 d U . .
C183 C 0.3146(5) 0.5162(6) 0.2197(3) 0.071(4) Uani 1 1 d U . .
C184 C 0.3543(5) 0.4705(6) 0.1891(3) 0.080(5) Uani 1 1 d U . .
H18D H 0.3790 0.4686 0.1836 0.095 Uiso 1 1 calc R . .
C185 C 0.3465(5) 0.4059(6) 0.1609(4) 0.095(6) Uani 1 1 d U . .
H18E H 0.3713 0.4160 0.1559 0.114 Uiso 1 1 calc R . .
H18F H 0.3298 0.4038 0.1446 0.114 Uiso 1 1 calc R . .
C186 C 0.3496(6) 0.3597(7) 0.1747(4) 0.112(7) Uani 1 1 d DU . .
H18G H 0.3263 0.3520 0.1829 0.134 Uiso 1 1 calc R . .
H18H H 0.3704 0.3594 0.1885 0.134 Uiso 1 1 calc R . .
C187 C 0.3572(9) 0.3262(9) 0.1520(5) 0.197(13) Uani 1 1 d DU . .
H18I H 0.3332 0.3133 0.1450 0.236 Uiso 1 1 calc R . .
H18J H 0.3678 0.3432 0.1375 0.236 Uiso 1 1 calc R . .
C188 C 0.3833(9) 0.2879(9) 0.1602(6) 0.194(12) Uani 1 1 d DU . .
H18K H 0.3754 0.2751 0.1769 0.233 Uiso 1 1 calc R . .
H18L H 0.4086 0.3006 0.1638 0.233 Uiso 1 1 calc R . .
C189 C 0.3858(6) 0.2487(7) 0.1398(4) 0.125(8) Uani 1 1 d DU . .
H18M H 0.3659 0.2524 0.1255 0.150 Uiso 1 1 calc R . .
H18N H 0.3817 0.2196 0.1487 0.150 Uiso 1 1 calc R . .
C190 C 0.4256(5) 0.2480(6) 0.1273(4) 0.099(6) Uani 1 1 d U . .
H19B H 0.4265 0.2712 0.1133 0.118 Uiso 1 1 calc R . .
H19C H 0.4457 0.2543 0.1411 0.118 Uiso 1 1 calc R . .
C191 C 0.4283(5) 0.1967(7) 0.0894(3) 0.087(5) Uani 1 1 d U . .
H19D H 0.4249 0.2238 0.0795 0.104 Uiso 1 1 calc R . .
C192 C 0.4303(5) 0.1569(7) 0.0747(4) 0.092(6) Uani 1 1 d U . .
C193 C 0.4247(7) 0.1687(9) 0.0464(5) 0.147(9) Uani 1 1 d U . .
H19E H 0.4213 0.1988 0.0404 0.176 Uiso 1 1 calc R . .
C194 C 0.4250(6) 0.1307(8) 0.0287(5) 0.123(7) Uani 1 1 d U . .
H19G H 0.4200 0.1361 0.0103 0.147 Uiso 1 1 calc R . .
C195 C 0.4319(6) 0.0872(8) 0.0368(4) 0.123(7) Uani 1 1 d DU . .
H19H H 0.4334 0.0641 0.0239 0.147 Uiso 1 1 calc R . .
C196 C 0.4370(5) 0.0760(6) 0.0641(3) 0.092(6) Uani 1 1 d DU . .
C197 C 0.4376(5) 0.1147(6) 0.0827(3) 0.080(5) Uani 1 1 d DU . .
C198 C 0.4499(7) 0.0028(8) 0.0558(5) 0.142(9) Uani 1 1 d U . .
H19J H 0.4274 -0.0032 0.0443 0.214 Uiso 1 1 calc R . .
H19K H 0.4582 -0.0251 0.0647 0.214 Uiso 1 1 calc R . .
H19L H 0.4696 0.0142 0.0451 0.214 Uiso 1 1 calc R . .
C199 C 0.2067(5) 0.4935(6) 0.3813(4) 0.095(6) Uani 1 1 d U . .
H19M H 0.1949 0.5197 0.3725 0.143 Uiso 1 1 calc R . .
H19N H 0.2228 0.5036 0.3966 0.143 Uiso 1 1 calc R . .
H19O H 0.1875 0.4733 0.3874 0.143 Uiso 1 1 calc R . .
C200 C 0.2555(5) 0.4959(6) 0.3495(4) 0.083(5) Uani 1 1 d U . .
C201 C 0.2663(6) 0.5386(7) 0.3594(5) 0.118(7) Uani 1 1 d DU . .
H20A H 0.2540 0.5524 0.3733 0.141 Uiso 1 1 calc R . .
C202 C 0.2975(7) 0.5609(9) 0.3474(5) 0.140(9) Uani 1 1 d DU . .
H20C H 0.3082 0.5878 0.3545 0.169 Uiso 1 1 calc R . .
C203 C 0.3109(7) 0.5401(8) 0.3244(5) 0.139(8) Uani 1 1 d U . .
H20D H 0.3286 0.5559 0.3148 0.166 Uiso 1 1 calc R . .
C204 C 0.2985(5) 0.4954(6) 0.3150(4) 0.084(5) Uani 1 1 d U . .
C205 C 0.2687(5) 0.4724(5) 0.3273(3) 0.073(5) Uani 1 1 d U . .
C206 C 0.3166(5) 0.4748(5) 0.2929(3) 0.079(5) Uani 1 1 d U . .
H20E H 0.3381 0.4907 0.2882 0.095 Uiso 1 1 calc R . .
C207 C 0.3368(5) 0.4275(5) 0.2598(3) 0.075(5) Uani 1 1 d U . .
H20F H 0.3532 0.4537 0.2571 0.090 Uiso 1 1 calc R . .
H20G H 0.3238 0.4202 0.2425 0.090 Uiso 1 1 calc R . .
C208 C 0.3611(4) 0.3871(5) 0.2690(3) 0.065(4) Uani 1 1 d U . .
H20H H 0.3450 0.3629 0.2754 0.078 Uiso 1 1 calc R . .
H20I H 0.3786 0.3965 0.2838 0.078 Uiso 1 1 calc R . .
C209 C 0.3836(4) 0.3683(5) 0.2459(3) 0.065(4) Uani 1 1 d U . .
H20J H 0.3666 0.3516 0.2332 0.078 Uiso 1 1 calc R . .
H20K H 0.3944 0.3937 0.2363 0.078 Uiso 1 1 calc R . .
C210 C 0.4153(4) 0.3363(5) 0.2569(3) 0.066(4) Uani 1 1 d U . .
H21A H 0.4052 0.3137 0.2689 0.079 Uiso 1 1 calc R . .
H21B H 0.4348 0.3539 0.2670 0.079 Uiso 1 1 calc R . .
C211 C 0.4323(4) 0.3119(5) 0.2330(3) 0.065(4) Uani 1 1 d U . .
H21C H 0.4408 0.3344 0.2202 0.078 Uiso 1 1 calc R . .
H21D H 0.4133 0.2924 0.2237 0.078 Uiso 1 1 calc R . .
C212 C 0.4672(4) 0.2818(5) 0.2448(3) 0.066(4) Uani 1 1 d U . .
H21E H 0.4876 0.3016 0.2518 0.079 Uiso 1 1 calc R . .
H21F H 0.4594 0.2624 0.2593 0.079 Uiso 1 1 calc R . .
C213 C 0.5058(4) 0.2707(5) 0.2068(3) 0.065(4) Uani 1 1 d U . .
H21G H 0.5146 0.2996 0.2125 0.077 Uiso 1 1 calc R . .
C214 C 0.5216(4) 0.2540(5) 0.1840(3) 0.058(4) Uani 1 1 d U . .
C215 C 0.5548(4) 0.2796(5) 0.1767(3) 0.071(4) Uani 1 1 d DU . .
H21H H 0.5636 0.3053 0.1864 0.085 Uiso 1 1 calc R . .
C216 C 0.5733(5) 0.2631(6) 0.1537(4) 0.090(6) Uani 1 1 d DU . .
H21I H 0.5952 0.2778 0.1488 0.108 Uiso 1 1 calc R . .
C217 C 0.5600(5) 0.2278(7) 0.1394(4) 0.093(6) Uani 1 1 d U . .
H21J H 0.5714 0.2196 0.1237 0.112 Uiso 1 1 calc R . .
C218 C 0.5281(5) 0.2017(6) 0.1478(4) 0.081(5) Uani 1 1 d U . .
C219 C 0.5100(4) 0.2149(5) 0.1698(3) 0.065(4) Uani 1 1 d U . .
C220 C 0.5335(6) 0.1466(7) 0.1122(4) 0.117(7) Uani 1 1 d U . .
H22D H 0.5604 0.1503 0.1157 0.176 Uiso 1 1 calc R . .
H22E H 0.5252 0.1636 0.0964 0.176 Uiso 1 1 calc R . .
H22F H 0.5277 0.1146 0.1095 0.176 Uiso 1 1 calc R . .
C221 C 0.1899(9) 0.4148(11) 0.4711(5) 0.2110(4) Uani 1 1 d DU . .
H22G H 0.1931 0.4467 0.4757 0.317 Uiso 1 1 calc R . .
H22H H 0.2020 0.3961 0.4850 0.317 Uiso 1 1 calc R . .
H22I H 0.1633 0.4077 0.4691 0.317 Uiso 1 1 calc R . .
C222 C 0.2417(7) 0.4302(9) 0.4420(5) 0.154(9) Uani 1 1 d DU . .
C223 C 0.2564(9) 0.4738(10) 0.4534(7) 0.2055(4) Uani 1 1 d DU . .
H22K H 0.2404 0.4896 0.4644 0.247 Uiso 1 1 calc R . .
C224 C 0.2921(9) 0.4950(11) 0.4498(6) 0.1959(4) Uani 1 1 d DU . .
H22L H 0.3045 0.5112 0.4639 0.235 Uiso 1 1 calc R . .
C225 C 0.3093(8) 0.4915(9) 0.4237(6) 0.188(12) Uani 1 1 d DU . .
H22M H 0.3260 0.5117 0.4161 0.226 Uiso 1 1 calc R . .
C226 C 0.2934(7) 0.4476(8) 0.4127(5) 0.128(8) Uani 1 1 d DU . .
C227 C 0.2612(6) 0.4213(7) 0.4181(4) 0.104(6) Uani 1 1 d DU . .
C228 C 0.3171(6) 0.4367(7) 0.3899(4) 0.106(6) Uani 1 1 d U . .
H22N H 0.3405 0.4512 0.3896 0.127 Uiso 1 1 calc R . .
C229 C 0.3367(4) 0.4031(5) 0.3514(3) 0.066(4) Uani 1 1 d U . .
H22O H 0.3533 0.4297 0.3522 0.079 Uiso 1 1 calc R . .
H22P H 0.3252 0.4004 0.3332 0.079 Uiso 1 1 calc R . .
C230 C 0.3595(4) 0.3600(5) 0.3588(3) 0.069(4) Uani 1 1 d U . .
H23D H 0.3419 0.3352 0.3620 0.083 Uiso 1 1 calc R . .
H23E H 0.3744 0.3656 0.3756 0.083 Uiso 1 1 calc R . .
C231 C 0.3867(4) 0.3439(5) 0.3372(3) 0.066(4) Uani 1 1 d U . .
H23F H 0.3719 0.3358 0.3208 0.079 Uiso 1 1 calc R . .
H23G H 0.4035 0.3691 0.3332 0.079 Uiso 1 1 calc R . .
C232 C 0.4104(5) 0.3028(5) 0.3469(3) 0.073(5) Uani 1 1 d U . .
H23H H 0.4283 0.3125 0.3615 0.087 Uiso 1 1 calc R . .
H23I H 0.3938 0.2799 0.3541 0.087 Uiso 1 1 calc R . .
C233 C 0.4320(4) 0.2812(5) 0.3252(3) 0.061(4) Uani 1 1 d U . .
H23J H 0.4443 0.3050 0.3152 0.073 Uiso 1 1 calc R . .
H23K H 0.4145 0.2649 0.3126 0.073 Uiso 1 1 calc R . .
C234 C 0.4624(5) 0.2471(5) 0.3374(3) 0.067(4) Uani 1 1 d U . .
H23L H 0.4822 0.2639 0.3478 0.081 Uiso 1 1 calc R . .
H23M H 0.4508 0.2259 0.3495 0.081 Uiso 1 1 calc R . .
C235 C 0.5141(4) 0.2331(5) 0.3097(3) 0.067(4) Uani 1 1 d U . .
H23N H 0.5254 0.2547 0.3215 0.080 Uiso 1 1 calc R . .
C236 C 0.5368(4) 0.2189(5) 0.2892(3) 0.063(4) Uani 1 1 d U . .
C237 C 0.5743(5) 0.2296(5) 0.2912(4) 0.074(5) Uani 1 1 d U . .
H23O H 0.5845 0.2448 0.3065 0.089 Uiso 1 1 calc R . .
C238 C 0.5969(5) 0.2186(6) 0.2715(4) 0.085(5) Uani 1 1 d U . .
H23P H 0.6222 0.2276 0.2734 0.102 Uiso 1 1 calc R . .
C239 C 0.5848(5) 0.1949(5) 0.2488(3) 0.073(5) Uani 1 1 d U . .
H23Q H 0.6013 0.1875 0.2356 0.087 Uiso 1 1 calc R . .
C240 C 0.5471(4) 0.1826(5) 0.2463(3) 0.052(4) Uani 1 1 d U . .
C241 C 0.5224(4) 0.1925(5) 0.2668(3) 0.058(4) Uani 1 1 d U . .
C242 C 0.5550(4) 0.1426(5) 0.2049(3) 0.062(4) Uani 1 1 d U . .
H24A H 0.5715 0.1660 0.1987 0.092 Uiso 1 1 calc R . .
H24B H 0.5394 0.1307 0.1899 0.092 Uiso 1 1 calc R . .
H24C H 0.5699 0.1182 0.2131 0.092 Uiso 1 1 calc R . .
C243 C 0.0256(6) 0.2837(7) 0.4109(4) 0.116(7) Uani 1 1 d DU . .
H24D H 0.0054 0.3038 0.4155 0.174 Uiso 1 1 calc R . .
H24E H 0.0237 0.2551 0.4203 0.174 Uiso 1 1 calc R . .
H24F H 0.0236 0.2781 0.3918 0.174 Uiso 1 1 calc R . .
C244 C 0.0616(8) 0.3049(11) 0.4183(7) 0.187(12) Uani 1 1 d DU . .
C245 C 0.0506(4) 0.2707(5) 0.3257(3) 0.059(4) Uani 1 1 d DU . .
H24G H 0.0715 0.2892 0.3207 0.088 Uiso 1 1 calc R . .
H24H H 0.0296 0.2902 0.3293 0.088 Uiso 1 1 calc R . .
H24I H 0.0431 0.2501 0.3112 0.088 Uiso 1 1 calc R . .
C246 C 0.0618(4) 0.2447(5) 0.3493(3) 0.058(4) Uani 1 1 d DU . .
C247 C 0.0999(4) 0.2378(4) 0.2504(3) 0.060(4) Uani 1 1 d U . .
H24J H 0.0977 0.2400 0.2311 0.090 Uiso 1 1 calc R . .
H24K H 0.1260 0.2411 0.2568 0.090 Uiso 1 1 calc R . .
H24L H 0.0851 0.2617 0.2580 0.090 Uiso 1 1 calc R . .
C248 C 0.0855(4) 0.1919(5) 0.2589(3) 0.050(4) Uani 1 1 d U . .
C249 C -0.0870(6) 0.2904(7) 0.3885(4) 0.113(7) Uani 1 1 d U . .
H24M H -0.0733 0.3185 0.3923 0.170 Uiso 1 1 calc R . .
H24N H -0.0932 0.2763 0.4051 0.170 Uiso 1 1 calc R . .
H24O H -0.1099 0.2970 0.3777 0.170 Uiso 1 1 calc R . .
C250 C -0.0636(5) 0.2594(7) 0.3739(4) 0.084(5) Uani 1 1 d U . .
C251 C 0.1487(4) 0.1391(5) 0.3286(3) 0.067(4) Uani 1 1 d U . .
H25B H 0.1715 0.1485 0.3386 0.101 Uiso 1 1 calc R . .
H25C H 0.1433 0.1598 0.3138 0.101 Uiso 1 1 calc R . .
H25D H 0.1519 0.1085 0.3218 0.101 Uiso 1 1 calc R . .
C252 C 0.1167(5) 0.1396(5) 0.3464(3) 0.059(4) Uani 1 1 d U . .
C253 C -0.0099(5) 0.2103(6) 0.2629(3) 0.076(5) Uani 1 1 d U . .
H25E H 0.0078 0.1899 0.2551 0.114 Uiso 1 1 calc R . .
H25F H -0.0013 0.2414 0.2614 0.114 Uiso 1 1 calc R . .
H25G H -0.0344 0.2071 0.2534 0.114 Uiso 1 1 calc R . .
C254 C -0.0129(4) 0.1984(6) 0.2921(3) 0.058(4) Uani 1 1 d U . .
C255 C 0.1528(4) 0.0467(5) 0.2463(3) 0.055(4) Uani 1 1 d U . .
H25H H 0.1684 0.0453 0.2629 0.083 Uiso 1 1 calc R . .
H25I H 0.1648 0.0656 0.2336 0.083 Uiso 1 1 calc R . .
H25J H 0.1493 0.0162 0.2391 0.083 Uiso 1 1 calc R . .
C256 C 0.1130(4) 0.0677(4) 0.2519(3) 0.046(3) Uani 1 1 d U . .
C257 C 0.0218(4) 0.2662(5) 0.1915(3) 0.061(4) Uani 1 1 d U . .
H25K H 0.0225 0.2668 0.2108 0.092 Uiso 1 1 calc R . .
H25L H 0.0001 0.2831 0.1842 0.092 Uiso 1 1 calc R . .
H25M H 0.0446 0.2799 0.1856 0.092 Uiso 1 1 calc R . .
C258 C 0.0192(4) 0.2184(5) 0.1821(3) 0.052(4) Uani 1 1 d U . .
C259 C 0.1397(4) 0.1556(5) 0.1949(3) 0.063(4) Uani 1 1 d DU . .
H25N H 0.1583 0.1778 0.1903 0.095 Uiso 1 1 calc R . .
H25O H 0.1506 0.1253 0.1945 0.095 Uiso 1 1 calc R . .
H25P H 0.1318 0.1619 0.2127 0.095 Uiso 1 1 calc R . .
C260 C 0.1066(4) 0.1582(5) 0.1752(3) 0.050(4) Uani 1 1 d DU . .
C261 C -0.1068(6) 0.2744(9) 0.1182(5) 0.156(10) Uani 1 1 d DU . .
H26B H -0.1117 0.3063 0.1143 0.233 Uiso 1 1 calc R . .
H26C H -0.1168 0.2666 0.1351 0.233 Uiso 1 1 calc R . .
H26D H -0.1188 0.2557 0.1042 0.233 Uiso 1 1 calc R . .
C262 C -0.0642(6) 0.2658(8) 0.1199(6) 0.120(8) Uani 1 1 d DU . .
C263 C 0.0820(4) 0.3668(5) 0.1421(3) 0.072(5) Uani 1 1 d U . .
H26E H 0.1025 0.3727 0.1308 0.108 Uiso 1 1 calc R . .
H26F H 0.0921 0.3612 0.1602 0.108 Uiso 1 1 calc R . .
H26G H 0.0653 0.3929 0.1419 0.108 Uiso 1 1 calc R . .
C264 C 0.0603(5) 0.3255(6) 0.1318(3) 0.059(4) Uani 1 1 d U . .
C265 C 0.2595(4) 0.2062(5) 0.1711(3) 0.071(4) Uani 1 1 d U . .
H26H H 0.2502 0.1755 0.1734 0.106 Uiso 1 1 calc R . .
H26I H 0.2695 0.2180 0.1881 0.106 Uiso 1 1 calc R . .
H26J H 0.2791 0.2059 0.1586 0.106 Uiso 1 1 calc R . .
C266 C 0.2273(5) 0.2366(5) 0.1602(3) 0.059(4) Uani 1 1 d U . .
C267 C 0.1321(5) 0.3375(5) 0.2160(3) 0.075(5) Uani 1 1 d U . .
H26K H 0.1089 0.3278 0.2235 0.112 Uiso 1 1 calc R . .
H26L H 0.1290 0.3682 0.2091 0.112 Uiso 1 1 calc R . .
H26M H 0.1524 0.3370 0.2299 0.112 Uiso 1 1 calc R . .
C268 C 0.1410(4) 0.3061(5) 0.1941(3) 0.053(4) Uani 1 1 d U . .
C269 C 0.2428(4) 0.3062(4) 0.2272(3) 0.058(4) Uani 1 1 d U . .
H26N H 0.2459 0.3061 0.2466 0.087 Uiso 1 1 calc R . .
H26O H 0.2601 0.2844 0.2201 0.087 Uiso 1 1 calc R . .
H26P H 0.2172 0.2978 0.2215 0.087 Uiso 1 1 calc R . .
C270 C 0.2514(4) 0.3542(6) 0.2167(3) 0.063(4) Uani 1 1 d U . .
C271 C 0.1449(4) 0.4674(5) 0.1987(3) 0.065(4) Uani 1 1 d U . .
H27B H 0.1231 0.4506 0.1915 0.097 Uiso 1 1 calc R . .
H27C H 0.1433 0.4986 0.1923 0.097 Uiso 1 1 calc R . .
H27D H 0.1456 0.4672 0.2180 0.097 Uiso 1 1 calc R . .
C272 C 0.1811(4) 0.4449(5) 0.1893(3) 0.053(4) Uani 1 1 d U . .
C273 C 0.1741(5) 0.4777(5) 0.2971(3) 0.075(5) Uani 1 1 d U . .
H27E H 0.1673 0.4459 0.2949 0.113 Uiso 1 1 calc R . .
H27F H 0.1516 0.4959 0.2983 0.113 Uiso 1 1 calc R . .
H27G H 0.1903 0.4815 0.3132 0.113 Uiso 1 1 calc R . .
C274 C 0.1939(5) 0.4926(6) 0.2743(3) 0.072(5) Uani 1 1 d U . .
C275 C 0.3008(5) 0.2621(5) 0.3152(3) 0.071(4) Uani 1 1 d U . .
H27H H 0.3030 0.2513 0.3335 0.107 Uiso 1 1 calc R . .
H27I H 0.3253 0.2614 0.3079 0.107 Uiso 1 1 calc R . .
H27J H 0.2836 0.2428 0.3046 0.107 Uiso 1 1 calc R . .
C276 C 0.2856(4) 0.3123(4) 0.3146(3) 0.048(3) Uani 1 1 d U . .
C277 C 0.1439(5) 0.3337(6) 0.2949(4) 0.092(6) Uani 1 1 d U . .
H27K H 0.1328 0.3331 0.2767 0.138 Uiso 1 1 calc R . .
H27L H 0.1283 0.3521 0.3059 0.138 Uiso 1 1 calc R . .
H27M H 0.1455 0.3029 0.3019 0.138 Uiso 1 1 calc R . .
C278 C 0.1843(5) 0.3549(5) 0.2952(4) 0.066(4) Uani 1 1 d U . .
C279 C 0.1078(5) 0.3922(6) 0.3644(4) 0.102(6) Uani 1 1 d U . .
H27N H 0.0909 0.3786 0.3765 0.153 Uiso 1 1 calc R . .
H27O H 0.1050 0.3768 0.3473 0.153 Uiso 1 1 calc R . .
H27P H 0.1017 0.4242 0.3620 0.153 Uiso 1 1 calc R . .
C280 C 0.1489(6) 0.3874(7) 0.3762(4) 0.095(6) Uani 1 1 d U . .
C281 C 0.1938(5) 0.2505(6) 0.3467(4) 0.089(5) Uani 1 1 d U . .
H28A H 0.1773 0.2246 0.3486 0.134 Uiso 1 1 calc R . .
H28B H 0.2183 0.2400 0.3421 0.134 Uiso 1 1 calc R . .
H28C H 0.1832 0.2704 0.3328 0.134 Uiso 1 1 calc R . .
C282 C 0.1979(5) 0.2767(6) 0.3732(3) 0.069(4) Uani 1 1 d U . .
C283 C 0.5129(4) 0.0713(5) 0.2684(3) 0.069(4) Uani 1 1 d U . .
H28D H 0.4949 0.0926 0.2600 0.103 Uiso 1 1 calc R . .
H28E H 0.5035 0.0405 0.2659 0.103 Uiso 1 1 calc R . .
H28F H 0.5367 0.0742 0.2601 0.103 Uiso 1 1 calc R . .
C284 C 0.5187(4) 0.0819(5) 0.2985(3) 0.053(4) Uani 1 1 d U . .
C285 C 0.6115(6) -0.0059(7) 0.3972(4) 0.112(7) Uani 1 1 d U . .
H28G H 0.6014 -0.0362 0.3995 0.168 Uiso 1 1 calc R . .
H28H H 0.6180 0.0075 0.4146 0.168 Uiso 1 1 calc R . .
H28I H 0.6338 -0.0077 0.3872 0.168 Uiso 1 1 calc R . .
C286 C 0.5813(5) 0.0244(7) 0.3817(3) 0.074(5) Uani 1 1 d U . .
C287 C 0.4608(4) 0.0085(5) 0.3313(3) 0.059(4) Uani 1 1 d U . .
H28J H 0.4848 0.0188 0.3254 0.088 Uiso 1 1 calc R . .
H28K H 0.4413 0.0135 0.3172 0.088 Uiso 1 1 calc R . .
H28L H 0.4623 -0.0237 0.3356 0.088 Uiso 1 1 calc R . .
C288 C 0.4515(4) 0.0350(5) 0.3559(3) 0.056(4) Uani 1 1 d U . .
C289 C 0.3607(4) 0.1356(5) 0.3298(3) 0.064(4) Uani 1 1 d U . .
H28M H 0.3382 0.1360 0.3396 0.096 Uiso 1 1 calc R . .
H28N H 0.3607 0.1086 0.3187 0.096 Uiso 1 1 calc R . .
H28O H 0.3613 0.1625 0.3186 0.096 Uiso 1 1 calc R . .
C290 C 0.3945(4) 0.1352(5) 0.3489(3) 0.055(4) Uani 1 1 d U . .
C291 C 0.4948(4) -0.0021(5) 0.4195(3) 0.066(4) Uani 1 1 d U . .
C292 C 0.4632(5) -0.0271(6) 0.4285(3) 0.067(4) Uani 1 1 d U . .
C293 C 0.3220(4) 0.0260(5) 0.3527(3) 0.073(5) Uani 1 1 d U . .
H29A H 0.3416 0.0488 0.3550 0.110 Uiso 1 1 calc R . .
H29B H 0.2980 0.0409 0.3486 0.110 Uiso 1 1 calc R . .
H29C H 0.3274 0.0060 0.3380 0.110 Uiso 1 1 calc R . .
C294 C 0.3204(4) -0.0010(5) 0.3776(3) 0.057(4) Uani 1 1 d U . .
C295 C 0.4208(7) -0.2069(7) 0.4863(5) 0.151(9) Uani 1 1 d DU . .
H29D H 0.4438 -0.2076 0.4978 0.227 Uiso 1 1 calc R . .
H29E H 0.4220 -0.2298 0.4725 0.227 Uiso 1 1 calc R . .
H29F H 0.3996 -0.2130 0.4968 0.227 Uiso 1 1 calc R . .
C296 C 0.4163(5) -0.1598(6) 0.4734(3) 0.064(4) Uani 1 1 d DU . .
C297 C 0.4106(4) -0.1106(6) 0.3786(3) 0.084(5) Uani 1 1 d U . .
H29G H 0.4095 -0.1190 0.3599 0.126 Uiso 1 1 calc R . .
H29H H 0.4244 -0.1337 0.3891 0.126 Uiso 1 1 calc R . .
H29I H 0.4234 -0.0815 0.3810 0.126 Uiso 1 1 calc R . .
C298 C 0.3719(5) -0.1068(5) 0.3875(3) 0.064(4) Uani 1 1 d U . .
C299 C 0.3664(5) -0.0508(6) 0.3000(4) 0.088(5) Uani 1 1 d U . .
H29J H 0.3749 -0.0468 0.2822 0.132 Uiso 1 1 calc R . .
H29K H 0.3825 -0.0726 0.3098 0.132 Uiso 1 1 calc R . .
H29L H 0.3674 -0.0218 0.3094 0.132 Uiso 1 1 calc R . .
C300 C 0.3261(5) -0.0684(5) 0.2981(4) 0.071(4) Uani 1 1 d U . .
C301 C 0.2101(4) 0.0195(4) 0.3157(3) 0.064(4) Uani 1 1 d DU . .
H30B H 0.2020 0.0309 0.2981 0.096 Uiso 1 1 calc R . .
H30C H 0.2290 0.0397 0.3239 0.096 Uiso 1 1 calc R . .
H30D H 0.1888 0.0180 0.3267 0.096 Uiso 1 1 calc R . .
C302 C 0.2263(4) -0.0266(5) 0.3132(3) 0.068(4) Uani 1 1 d DU . .
C303 C 0.3386(6) -0.1853(7) 0.2946(4) 0.121(7) Uani 1 1 d U . .
H30E H 0.3312 -0.1564 0.3019 0.181 Uiso 1 1 calc R . .
H30F H 0.3642 -0.1833 0.2893 0.181 Uiso 1 1 calc R . .
H30G H 0.3370 -0.2089 0.3080 0.181 Uiso 1 1 calc R . .
C304 C 0.3110(8) -0.1974(9) 0.2691(5) 0.126(8) Uani 1 1 d U . .
C305 C 0.2994(8) -0.3582(7) 0.1901(6) 0.171(11) Uani 1 1 d DU . .
H30H H 0.3251 -0.3687 0.1927 0.257 Uiso 1 1 calc R . .
H30I H 0.2911 -0.3604 0.1713 0.257 Uiso 1 1 calc R . .
H30J H 0.2834 -0.3769 0.2005 0.257 Uiso 1 1 calc R . .
C306 C 0.2969(4) -0.3060(7) 0.1996(4) 0.102(6) Uani 1 1 d DU . .
C307 C 0.3497(5) -0.1847(6) 0.1869(4) 0.091(6) Uani 1 1 d U . .
H30K H 0.3695 -0.1697 0.1779 0.136 Uiso 1 1 calc R . .
H30L H 0.3472 -0.2159 0.1807 0.136 Uiso 1 1 calc R . .
H30M H 0.3559 -0.1845 0.2060 0.136 Uiso 1 1 calc R . .
C308 C 0.3112(5) -0.1586(7) 0.1805(4) 0.079(5) Uani 1 1 d U . .
C309 C 0.2599(4) -0.0230(4) 0.2252(3) 0.064(4) Uani 1 1 d U . .
H30N H 0.2644 -0.0023 0.2107 0.096 Uiso 1 1 calc R . .
H30O H 0.2826 -0.0261 0.2368 0.096 Uiso 1 1 calc R . .
H30P H 0.2398 -0.0111 0.2354 0.096 Uiso 1 1 calc R . .
C310 C 0.2484(4) -0.0698(5) 0.2138(3) 0.060(4) Uani 1 1 d U . .
C311 C 0.3607(5) -0.0529(5) 0.2125(3) 0.086(5) Uani 1 1 d U . .
H31C H 0.3838 -0.0440 0.2224 0.128 Uiso 1 1 calc R . .
H31D H 0.3632 -0.0836 0.2057 0.128 Uiso 1 1 calc R . .
H31E H 0.3401 -0.0520 0.2243 0.128 Uiso 1 1 calc R . .
C312 C 0.3527(5) -0.0209(6) 0.1899(3) 0.062(4) Uani 1 1 d U . .
C313 C 0.2293(4) 0.0808(5) 0.1712(3) 0.068(4) Uani 1 1 d U . .
H31F H 0.2068 0.0632 0.1739 0.103 Uiso 1 1 calc R . .
H31G H 0.2231 0.1057 0.1590 0.103 Uiso 1 1 calc R . .
H31H H 0.2393 0.0929 0.1883 0.103 Uiso 1 1 calc R . .
C314 C 0.2588(4) 0.0501(5) 0.1595(3) 0.052(4) Uani 1 1 d U . .
C315 C 0.3969(5) -0.0805(5) 0.1350(4) 0.089(5) Uani 1 1 d DU . .
H31I H 0.3703 -0.0733 0.1329 0.134 Uiso 1 1 calc R . .
H31J H 0.4033 -0.0910 0.1530 0.134 Uiso 1 1 calc R . .
H31K H 0.4026 -0.1042 0.1224 0.134 Uiso 1 1 calc R . .
C316 C 0.4188(5) -0.0397(6) 0.1298(4) 0.082(5) Uani 1 1 d DU . .
C317 C 0.5833(8) 0.0134(10) 0.1161(6) 0.194(13) Uani 1 1 d DU . .
H31L H 0.5895 0.0233 0.0985 0.291 Uiso 1 1 calc R . .
H31M H 0.5902 -0.0183 0.1187 0.291 Uiso 1 1 calc R . .
H31N H 0.5969 0.0318 0.1296 0.291 Uiso 1 1 calc R . .
C318 C 0.5414(9) 0.0189(7) 0.1188(8) 0.172(12) Uani 1 1 d DU . .
C319 C 0.4700(5) 0.0166(5) 0.1928(3) 0.073(5) Uani 1 1 d U . .
H31O H 0.4733 0.0129 0.2120 0.109 Uiso 1 1 calc R . .
H31P H 0.4898 0.0003 0.1844 0.109 Uiso 1 1 calc R . .
H31Q H 0.4457 0.0044 0.1864 0.109 Uiso 1 1 calc R . .
C320 C 0.4719(4) 0.0655(6) 0.1860(4) 0.067(4) Uani 1 1 d U . .
C321 C 0.3504(4) 0.1233(5) 0.1966(3) 0.053(4) Uani 1 1 d U . .
H32B H 0.3311 0.1021 0.1902 0.079 Uiso 1 1 calc R . .
H32C H 0.3395 0.1534 0.1983 0.079 Uiso 1 1 calc R . .
H32D H 0.3611 0.1133 0.2140 0.079 Uiso 1 1 calc R . .
C322 C 0.3802(4) 0.1251(5) 0.1777(3) 0.055(4) Uani 1 1 d U . .
C323 C 0.3994(4) 0.0427(5) 0.2496(3) 0.068(4) Uani 1 1 d U . .
H32E H 0.3923 0.0231 0.2640 0.102 Uiso 1 1 calc R . .
H32F H 0.4184 0.0276 0.2398 0.102 Uiso 1 1 calc R . .
H32G H 0.3775 0.0490 0.2377 0.102 Uiso 1 1 calc R . .
C324 C 0.4153(4) 0.0874(5) 0.2613(3) 0.049(3) Uani 1 1 d U . .
C325 C 0.3469(4) 0.2306(5) 0.2494(3) 0.061(4) Uani 1 1 d U . .
H32H H 0.3343 0.2313 0.2660 0.091 Uiso 1 1 calc R . .
H32I H 0.3326 0.2118 0.2365 0.091 Uiso 1 1 calc R . .
H32J H 0.3488 0.2613 0.2425 0.091 Uiso 1 1 calc R . .
C326 C 0.3861(4) 0.2107(5) 0.2547(3) 0.056(4) Uani 1 1 d U . .
C327 C 0.1992(8) 0.6372(7) 0.1811(6) 0.176(11) Uani 1 1 d DU . .
H32K H 0.2159 0.6565 0.1922 0.264 Uiso 1 1 calc R . .
H32L H 0.1741 0.6504 0.1799 0.264 Uiso 1 1 calc R . .
H32M H 0.2083 0.6349 0.1634 0.264 Uiso 1 1 calc R . .
C328 C 0.1977(5) 0.5885(6) 0.1939(3) 0.067(5) Uani 1 1 d DU . .
O45 O 0.0589(5) 0.3491(7) 0.4342(4) 0.1686(4) Uani 1 1 d U . .
O46 O 0.1000(3) 0.2933(4) 0.4164(2) 0.085(3) Uani 1 1 d U . .
O47 O 0.0967(3) 0.2508(3) 0.35982(19) 0.066(3) Uani 1 1 d U . .
O48 O 0.0407(2) 0.2143(3) 0.35893(18) 0.057(2) Uani 1 1 d U . .
O49 O -0.0377(4) 0.2732(5) 0.3599(3) 0.111(4) Uani 1 1 d U . .
O50 O -0.0685(3) 0.2177(4) 0.3738(2) 0.091(4) Uani 1 1 d U . .
O51 O 0.0837(3) 0.1282(3) 0.33731(19) 0.062(3) Uani 1 1 d U . .
O52 O 0.1235(3) 0.1513(3) 0.3706(2) 0.064(3) Uani 1 1 d U . .
O53 O 0.0068(3) 0.1679(3) 0.30372(19) 0.063(3) Uani 1 1 d U . .
O54 O -0.0349(3) 0.2245(3) 0.30444(19) 0.061(3) Uani 1 1 d U . .
O55 O 0.0741(3) 0.1635(3) 0.24183(18) 0.057(2) Uani 1 1 d U . .
O56 O 0.0857(3) 0.1843(3) 0.28412(19) 0.061(3) Uani 1 1 d U . .
O57 O 0.0908(2) 0.0706(3) 0.23046(18) 0.052(2) Uani 1 1 d U . .
O58 O 0.1062(2) 0.0784(3) 0.2743(2) 0.053(2) Uani 1 1 d U . .
O59 O 0.0184(2) 0.1854(3) 0.19941(17) 0.053(2) Uani 1 1 d U . .
O60 O 0.0175(2) 0.2080(3) 0.15667(18) 0.053(2) Uani 1 1 d U . .
O61 O 0.1049(2) 0.1813(3) 0.15442(19) 0.056(2) Uani 1 1 d U . .
O62 O 0.0793(3) 0.1297(3) 0.17927(18) 0.055(2) Uani 1 1 d U . .
O63 O -0.0487(4) 0.2530(5) 0.1006(3) 0.109(4) Uani 1 1 d U . .
O64 O -0.0456(4) 0.2804(5) 0.1410(3) 0.128(5) Uani 1 1 d U . .
O65 O 0.0746(3) 0.2845(3) 0.13427(18) 0.062(3) Uani 1 1 d U . .
O66 O 0.0267(3) 0.3300(4) 0.1201(2) 0.079(3) Uani 1 1 d U . .
O67 O 0.1707(3) 0.3138(3) 0.18075(19) 0.061(3) Uani 1 1 d U . .
O68 O 0.1198(3) 0.2746(3) 0.18649(18) 0.056(2) Uani 1 1 d U . .
O69 O 0.2347(2) 0.2781(3) 0.15518(17) 0.052(2) Uani 1 1 d U . .
O70 O 0.1950(3) 0.2176(3) 0.15579(17) 0.051(2) Uani 1 1 d U . .
O71 O 0.2118(3) 0.4606(3) 0.19762(19) 0.056(2) Uani 1 1 d U . .
O72 O 0.1765(3) 0.4117(3) 0.17289(19) 0.062(3) Uani 1 1 d U . .
O73 O 0.2499(3) 0.3615(3) 0.19103(19) 0.057(2) Uani 1 1 d U . .
O74 O 0.2610(3) 0.3856(3) 0.23277(19) 0.055(2) Uani 1 1 d U . .
O75 O 0.1870(3) 0.5300(3) 0.2615(2) 0.070(3) Uani 1 1 d U . .
O76 O 0.2212(3) 0.4656(3) 0.2646(2) 0.070(3) Uani 1 1 d U . .
O77 O 0.1956(3) 0.3659(3) 0.2729(2) 0.063(3) Uani 1 1 d U . .
O78 O 0.2026(3) 0.3569(3) 0.3169(2) 0.071(3) Uani 1 1 d U . .
O79 O 0.2812(3) 0.3301(3) 0.2915(2) 0.058(3) Uani 1 1 d U . .
O80 O 0.2782(3) 0.3295(3) 0.3370(2) 0.066(3) Uani 1 1 d U . .
O81 O 0.1521(4) 0.3655(5) 0.3999(3) 0.130(5) Uani 1 1 d U . .
O82 O 0.1752(3) 0.3976(4) 0.3645(2) 0.083(3) Uani 1 1 d U . .
O83 O 0.2196(3) 0.3110(3) 0.37565(19) 0.062(3) Uani 1 1 d U . .
O84 O 0.1790(3) 0.2626(4) 0.3916(2) 0.080(3) Uani 1 1 d U . .
O85 O 0.4989(3) 0.1106(3) 0.3096(2) 0.065(3) Uani 1 1 d U . .
O86 O 0.5427(3) 0.0557(3) 0.31263(19) 0.059(3) Uani 1 1 d U . .
O87 O 0.5862(3) 0.0648(5) 0.3823(2) 0.090(4) Uani 1 1 d U . .
O88 O 0.5552(3) 0.0028(4) 0.3689(2) 0.083(3) Uani 1 1 d U . .
O89 O 0.4274(3) 0.1484(3) 0.3415(2) 0.062(3) Uani 1 1 d U . .
O90 O 0.3925(3) 0.1229(3) 0.3733(2) 0.065(3) Uani 1 1 d U . .
O91 O 0.4197(3) 0.0251(3) 0.36601(19) 0.065(3) Uani 1 1 d U . .
O92 O 0.4741(3) 0.0654(3) 0.36547(17) 0.051(2) Uani 1 1 d U . .
O93 O 0.4281(3) -0.0132(3) 0.42532(18) 0.062(3) Uani 1 1 d U . .
O94 O 0.4690(3) -0.0652(4) 0.4409(2) 0.074(3) Uani 1 1 d U . .
O95 O 0.2964(3) -0.0332(4) 0.3805(2) 0.072(3) Uani 1 1 d U . .
O96 O 0.3434(3) 0.0084(4) 0.3968(2) 0.072(3) Uani 1 1 d U . .
O97 O 0.3434(3) -0.1142(3) 0.3705(2) 0.069(3) Uani 1 1 d U . .
O98 O 0.3677(3) -0.0945(3) 0.4109(2) 0.068(3) Uani 1 1 d U . .
O99 O 0.3115(3) -0.0738(4) 0.3198(2) 0.077(3) Uani 1 1 d U . .
O100 O 0.3100(3) -0.0798(4) 0.2759(2) 0.080(3) Uani 1 1 d U . .
O101 O 0.2272(3) -0.0455(3) 0.2904(2) 0.068(3) Uani 1 1 d U . .
O102 O 0.2386(3) -0.0465(3) 0.3355(2) 0.068(3) Uani 1 1 d U . .
O103 O 0.2822(3) -0.1789(4) 0.2617(2) 0.077(3) Uani 1 1 d U . .
O104 O 0.3209(5) -0.2373(6) 0.2581(4) 0.148(6) Uani 1 1 d U . .
O105 O 0.2958(5) -0.2823(7) 0.1797(4) 0.185(8) Uani 1 1 d DU . .
O106 O 0.2986(6) -0.3012(7) 0.2257(4) 0.205(8) Uani 1 1 d DU . .
O107 O 0.2460(3) -0.0753(3) 0.1882(2) 0.067(3) Uani 1 1 d U . .
O108 O 0.2409(3) -0.1006(3) 0.2306(2) 0.066(3) Uani 1 1 d U . .
O109 O 0.2836(3) -0.1746(3) 0.1917(2) 0.071(3) Uani 1 1 d U . .
O110 O 0.3117(3) -0.1264(4) 0.1643(2) 0.079(3) Uani 1 1 d U . .
O111 O 0.3220(3) -0.0288(3) 0.1757(2) 0.077(3) Uani 1 1 d U . .
O112 O 0.3735(3) 0.0124(3) 0.1847(2) 0.070(3) Uani 1 1 d U . .
O113 O 0.4052(3) 0.0014(4) 0.1313(2) 0.080(3) Uani 1 1 d U . .
O114 O 0.4524(4) -0.0435(4) 0.1231(3) 0.095(4) Uani 1 1 d U . .
O115 O 0.2896(3) 0.0686(3) 0.1552(2) 0.067(3) Uani 1 1 d U . .
O116 O 0.2500(3) 0.0090(4) 0.1545(2) 0.066(3) Uani 1 1 d U . .
O117 O 0.3778(3) 0.1046(3) 0.1546(2) 0.060(3) Uani 1 1 d U . .
O118 O 0.4087(3) 0.1521(3) 0.1829(2) 0.067(3) Uani 1 1 d U . .
O119 O 0.5290(5) 0.0119(6) 0.1403(4) 0.151(6) Uani 1 1 d DU . .
O120 O 0.5227(5) 0.0260(5) 0.0970(4) 0.138(5) Uani 1 1 d DU . .
O121 O 0.4664(3) 0.0755(3) 0.1604(2) 0.069(3) Uani 1 1 d U . .
O122 O 0.4750(3) 0.0940(4) 0.2029(2) 0.066(3) Uani 1 1 d U . .
O123 O 0.4260(3) 0.1156(3) 0.24453(19) 0.060(3) Uani 1 1 d U . .
O124 O 0.4180(3) 0.0921(3) 0.2860(2) 0.062(3) Uani 1 1 d U . .
O125 O 0.4052(3) 0.2099(3) 0.2345(2) 0.057(2) Uani 1 1 d U . .
O126 O 0.3960(2) 0.1999(3) 0.2781(2) 0.058(3) Uani 1 1 d U . .
O127 O 0.4126(4) -0.1647(5) 0.4474(3) 0.125(5) Uani 1 1 d U . .
O128 O 0.4131(4) -0.1278(5) 0.4856(3) 0.102(4) Uani 1 1 d U . .
O129 O 0.2221(5) 0.5864(5) 0.2126(3) 0.139(5) Uani 1 1 d DU . .
O130 O 0.1855(4) 0.5647(5) 0.1772(4) 0.133(5) Uani 1 1 d DU . .


_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
Nd1 O30 2.281(8) . ?
Nd1 O69 2.299(9) . ?
Nd1 O67 2.320(9) . ?
Nd1 O26 2.339(9) . ?
Nd1 O72 2.414(10) . ?
Nd1 O73 2.416(9) . ?
Nd1 O25 2.589(8) . ?
Nd1 N15 2.590(11) . ?
Nd1 Cd1 3.6437(15) . ?
Nd2 O80 2.290(10) . ?
Nd2 O42 2.302(10) . ?
Nd2 O78 2.333(11) . ?
Nd2 O82 2.360(11) . ?
Nd2 O38 2.371(10) . ?
Nd2 O83 2.410(9) . ?
Nd2 O37 2.590(10) . ?
Nd2 N21 2.605(12) . ?
Nd2 Cd4 3.6823(17) . ?
Nd3 O14 2.290(9) . ?
Nd3 O18 2.296(10) . ?
Nd3 O57 2.321(9) . ?
Nd3 O59 2.375(9) . ?
Nd3 O55 2.385(10) . ?
Nd3 O62 2.432(9) . ?
Nd3 N9 2.544(12) . ?
Nd3 O13 2.575(9) . ?
Nd3 Cd10 3.6718(15) . ?
Nd4 O102 2.298(10) . ?
Nd4 O19 2.329(11) . ?
Nd4 O99 2.344(11) . ?
Nd4 O15 2.399(10) . ?
Nd4 O95 2.416(11) . ?
Nd4 O97 2.418(10) . ?
Nd4 O20 2.577(11) . ?
Nd4 N8 2.591(13) . ?
Nd4 Cd13 3.6851(17) . ?
Nd5 O43 2.299(9) . ?
Nd5 O123 2.344(10) . ?
Nd5 O39 2.352(9) . ?
Nd5 O125 2.358(9) . ?
Nd5 O122 2.425(10) . ?
Nd5 O118 2.439(11) . ?
Nd5 N20 2.544(11) . ?
Nd5 O44 2.600(9) . ?
Nd5 Cd19 3.6827(16) . ?
Nd6 O116 2.299(10) . ?
Nd6 O27 2.303(10) . ?
Nd6 O31 2.318(10) . ?
Nd6 O111 2.343(11) . ?
Nd6 O110 2.410(12) . ?
Nd6 O107 2.420(11) . ?
Nd6 N14 2.559(12) . ?
Nd6 O32 2.590(10) . ?
Nd6 Cd22 3.6333(16) . ?
Nd6 Cd21 3.7973(14) . ?
Cd1 O34 2.200(10) . ?
Cd1 N17 2.246(13) . ?
Cd1 O73 2.259(9) . ?
Cd1 O71 2.273(9) . ?
Cd1 O30 2.334(9) . ?
Cd1 O29 2.534(8) . ?
Cd2 O129 2.108(15) . ?
Cd2 O34 2.249(10) . ?
Cd2 O71 2.276(10) . ?
Cd2 O75 2.301(10) . ?
Cd2 O33 2.397(11) . ?
Cd2 O76 2.421(10) . ?
Cd3 O77 2.257(9) . ?
Cd3 O38 2.268(10) . ?
Cd3 O79 2.274(9) . ?
Cd3 N19 2.312(12) . ?
Cd3 O76 2.357(10) . ?
Cd3 O74 2.374(9) . ?
Cd4 O2 2.169(15) . ?
Cd4 N1 2.238(16) . ?
Cd4 O81 2.277(14) . ?
Cd4 O42 2.283(11) . ?
Cd4 O83 2.333(10) . ?
Cd4 O41 2.375(16) . ?
Cd5 O45 2.129(19) . ?
Cd5 O2 2.321(16) . ?
Cd5 O131 2.401(13) . ?
Cd5 O46 2.422(11) . ?
Cd5 O81 2.460(15) . ?
Cd5 O1 2.614(13) . ?
Cd6 O6 2.192(9) . ?
Cd6 O47 2.213(10) . ?
Cd6 N3 2.265(13) . ?
Cd6 O84 2.282(11) . ?
Cd6 O46 2.320(11) . ?
Cd6 O52 2.578(10) . ?
Cd6 Cd7 3.4571(17) . ?
Cd7 O10 2.178(11) . ?
Cd7 O6 2.238(9) . ?
Cd7 N5 2.279(13) . ?
Cd7 O48 2.366(9) . ?
Cd7 O51 2.412(9) . ?
Cd7 O52 2.446(9) . ?
Cd8 O54 2.230(9) . ?
Cd8 O10 2.264(11) . ?
Cd8 O50 2.291(12) . ?
Cd8 O48 2.318(9) . ?
Cd8 O49 2.393(13) . ?
Cd8 O9 2.459(11) . ?
Cd8 O53 2.539(10) . ?
Cd8 C254 2.716(15) . ?
Cd8 C250 2.76(2) . ?
Cd9 O56 2.216(9) . ?
Cd9 O14 2.298(9) . ?
Cd9 O58 2.305(9) . ?
Cd9 N7 2.322(11) . ?
Cd9 O53 2.388(10) . ?
Cd9 O51 2.416(10) . ?
Cd10 N11 2.218(12) . ?
Cd10 O60 2.229(9) . ?
Cd10 O22 2.244(9) . ?
Cd10 O18 2.325(9) . ?
Cd10 O62 2.328(9) . ?
Cd10 O17 2.568(10) . ?
Cd11 O22 2.261(8) . ?
Cd11 O60 2.267(8) . ?
Cd11 O66 2.273(10) . ?
Cd11 O63 2.322(13) . ?
Cd11 O65 2.411(10) . ?
Cd11 O21 2.438(10) . ?
Cd11 O64 2.523(14) . ?
Cd11 C264 2.715(16) . ?
Cd11 C262 2.76(2) . ?
Cd12 O68 2.264(9) . ?
Cd12 N13 2.291(11) . ?
Cd12 O70 2.293(9) . ?
Cd12 O26 2.346(8) . ?
Cd12 O61 2.381(9) . ?
Cd12 O65 2.436(10) . ?
Cd13 N6 2.244(13) . ?
Cd13 O11 2.246(10) . ?
Cd13 O15 2.251(10) . ?
Cd13 O98 2.277(10) . ?
Cd13 O95 2.330(10) . ?
Cd13 O16 2.516(10) . ?
Cd14 O11 2.255(10) . ?
Cd14 O94 2.272(10) . ?
Cd14 O128 2.275(12) . ?
Cd14 O98 2.308(10) . ?
Cd14 O93 2.429(9) . ?
Cd14 O127 2.435(14) . ?
Cd14 O12 2.486(10) . ?
Cd14 C296 2.598(16) . ?
Cd14 C292 2.754(16) . ?
Cd15 O7 2.197(10) . ?
Cd15 O91 2.228(9) . ?
Cd15 O96 2.284(10) . ?
Cd15 N4 2.296(13) . ?
Cd15 O93 2.297(10) . ?
Cd16 O3 2.194(10) . ?
Cd16 O7 2.226(10) . ?
Cd16 N2 2.287(13) . ?
Cd16 O92 2.352(9) . ?
Cd16 O89 2.375(10) . ?
Cd16 O90 2.403(9) . ?
Cd17 O86 2.198(9) . ?
Cd17 O3 2.242(9) . ?
Cd17 O92 2.308(9) . ?
Cd17 O87 2.332(11) . ?
Cd17 O4 2.447(11) . ?
Cd17 O85 2.540(10) . ?
Cd17 O88 2.569(11) . ?
Cd17 C284 2.723(15) . ?
Cd17 C286 2.726(18) . ?
Cd18 O124 2.264(9) . ?
Cd18 N22 2.279(13) . ?
Cd18 O126 2.298(9) . ?
Cd18 O43 2.314(8) . ?
Cd18 O85 2.361(10) . ?
Cd18 O89 2.447(10) . ?
Cd19 O121 2.250(10) . ?
Cd19 N18 2.260(13) . ?
Cd19 O35 2.280(10) . ?
Cd19 O39 2.315(10) . ?
Cd19 O118 2.340(10) . ?
Cd19 O40 2.556(10) . ?
Cd20 O35 2.209(10) . ?
Cd20 O114 2.276(12) . ?
Cd20 O121 2.306(10) . ?
Cd20 O120 2.391(15) . ?
Cd20 O119 2.412(17) . ?
Cd20 O113 2.434(11) . ?
Cd20 O36 2.459(12) . ?
Cd20 C318 2.68(3) . ?
Cd20 C316 2.748(17) . ?
Cd21 N16 2.312(12) . ?
Cd21 O115 2.326(9) . ?
Cd21 O112 2.337(10) . ?
Cd21 O117 2.348(9) . ?
Cd21 O31 2.353(9) . ?
Cd21 O113 2.419(11) . ?
Cd22 O23 2.209(11) . ?
Cd22 N12 2.282(12) . ?
Cd22 O27 2.283(10) . ?
Cd22 O107 2.287(9) . ?
Cd22 O109 2.296(10) . ?
Cd22 O28 2.526(9) . ?
Cd23 O106 2.25(2) . ?
Cd23 O23 2.259(10) . ?
Cd23 O109 2.292(11) . ?
Cd23 O104 2.301(16) . ?
Cd23 O103 2.402(11) . ?
Cd23 O24 2.416(12) . ?
Cd23 C306 2.664(19) . ?
Cd23 C304 2.70(2) . ?
Cd24 O100 2.238(11) . ?
Cd24 N10 2.280(13) . ?
Cd24 O19 2.293(11) . ?
Cd24 O101 2.299(10) . ?
Cd24 O103 2.308(11) . ?
Cd24 O108 2.364(11) . ?
N1 C8 1.25(2) . ?
N1 C9 1.54(2) . ?
N2 C15 1.315(18) . ?
N2 C14 1.493(19) . ?
N3 C30 1.297(18) . ?
N3 C31 1.525(19) . ?
N4 C37 1.222(18) . ?
N4 C36 1.53(2) . ?
N5 C52 1.329(19) . ?
N5 C53 1.465(19) . ?
N6 C59 1.253(16) . ?
N6 C58 1.474(18) . ?
N7 C74 1.254(17) . ?
N7 C75 1.448(17) . ?
N8 C81 1.212(19) . ?
N8 C80 1.526(19) . ?
N9 C96 1.307(16) . ?
N9 C97 1.482(16) . ?
N10 C103 1.305(19) . ?
N10 C102 1.523(18) . ?
N11 C118 1.375(14) . ?
N11 C119 1.418(19) . ?
N12 C125 1.246(18) . ?
N12 C124 1.476(17) . ?
N13 C140 1.265(14) . ?
N13 C141 1.456(13) . ?
N14 C147 1.321(17) . ?
N14 C146 1.505(15) . ?
N15 C162 1.294(13) . ?
N15 C163 1.444(13) . ?
N16 C169 1.306(15) . ?
N16 C168 1.481(14) . ?
N17 C184 1.312(17) . ?
N17 C185 1.426(17) . ?
N18 C191 1.308(17) . ?
N18 C190 1.485(18) . ?
N19 C206 1.260(17) . ?
N19 C207 1.428(15) . ?
N20 C213 1.314(15) . ?
N20 C212 1.531(14) . ?
N21 C228 1.302(19) . ?
N21 C229 1.457(14) . ?
N22 C235 1.323(16) . ?
N22 C234 1.500(14) . ?
O1 C2 1.34(2) . ?
O1 C1 1.42(2) . ?
O2 C7 1.209(19) . ?
O3 C21 1.324(18) . ?
O4 C20 1.387(18) . ?
O4 C22 1.408(18) . ?
O5 C24 1.381(18) . ?
O5 C23 1.435(18) . ?
O6 C29 1.335(15) . ?
O7 C43 1.295(17) . ?
O8 C42 1.362(18) . ?
O8 C44 1.438(17) . ?
O9 C46 1.392(19) . ?
O9 C45 1.435(18) . ?
O10 C51 1.311(16) . ?
O11 C65 1.286(17) . ?
O12 C64 1.388(16) . ?
O12 C66 1.422(16) . ?
O13 C68 1.408(15) . ?
O13 C67 1.452(16) . ?
O14 C73 1.366(16) . ?
O15 C87 1.343(18) . ?
O16 C88 1.38(2) . ?
O16 C86 1.39(2) . ?
O17 C90 1.363(16) . ?
O17 C89 1.425(18) . ?
O18 C95 1.409(17) . ?
O19 C109 1.340(18) . ?
O20 C108 1.490(14) . ?
O20 C110 1.540(12) . ?
O21 C112 1.356(17) . ?
O21 C111 1.489(19) . ?
O22 C117 1.343(16) . ?
O23 C131 1.321(18) . ?
O24 C130 1.372(17) . ?
O24 C132 1.47(2) . ?
O25 C134 1.356(14) . ?
O25 C133 1.450(14) . ?
O26 C139 1.312(12) . ?
O27 C153 1.337(16) . ?
O28 C152 1.332(16) . ?
O28 C154 1.482(16) . ?
O29 C156 1.353(15) . ?
O29 C155 1.408(14) . ?
O30 C161 1.360(13) . ?
O31 C175 1.335(16) . ?
O32 C174 1.361(18) . ?
O32 C176 1.528(15) . ?
O33 C178 1.369(18) . ?
O33 C177 1.41(2) . ?
O34 C183 1.344(16) . ?
O35 C197 1.329(18) . ?
O36 C198 1.30(2) . ?
O36 C196 1.335(18) . ?
O37 C200 1.394(17) . ?
O37 C199 1.452(16) . ?
O38 C205 1.286(16) . ?
O39 C219 1.345(15) . ?
O40 C218 1.360(18) . ?
O40 C220 1.44(2) . ?
O41 C222 1.39(3) . ?
O41 C221 1.565(17) . ?
O42 C227 1.36(2) . ?
O43 C241 1.362(15) . ?
O44 C240 1.324(14) . ?
O44 C242 1.459(13) . ?
O131 H13A 0.8200 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.40(3) . ?
C2 C7 1.45(2) . ?
C3 C4 1.35(3) . ?
C3 H3A 0.9300 . ?
C4 C5 1.33(3) . ?
C4 H4A 0.9300 . ?
C5 C6 1.42(3) . ?
C5 H5A 0.9300 . ?
C6 C7 1.39(2) . ?
C6 C8 1.466(16) . ?
C8 H8A 0.9300 . ?
C9 C10 1.460(16) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.52(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.579(16) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.49(2) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.46(2) . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.43(2) . ?
C15 H15A 0.9300 . ?
C16 C21 1.33(2) . ?
C16 C17 1.50(2) . ?
C17 C18 1.40(3) . ?
C17 H17A 0.9300 . ?
C18 C19 1.420(16) . ?
C18 H18A 0.9300 . ?
C19 C20 1.38(2) . ?
C19 H19A 0.9300 . ?
C20 C21 1.43(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.37(2) . ?
C24 C29 1.417(19) . ?
C25 C26 1.39(2) . ?
C25 H25A 0.9300 . ?
C26 C27 1.35(2) . ?
C26 H26A 0.9300 . ?
C27 C28 1.40(2) . ?
C27 H27A 0.9300 . ?
C28 C29 1.356(19) . ?
C28 C30 1.44(2) . ?
C30 H30A 0.9300 . ?
C31 C32 1.57(2) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.539(13) . ?
C32 H32O 0.9700 . ?
C32 H32A 0.9700 . ?
C33 C34 1.472(11) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.553(13) . ?
C34 H34C 0.9700 . ?
C34 H34D 0.9700 . ?
C35 C36 1.52(2) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.47(2) . ?
C37 H37A 0.9300 . ?
C38 C43 1.40(2) . ?
C38 C39 1.41(2) . ?
C39 C40 1.37(2) . ?
C39 H39A 0.9300 . ?
C40 C41 1.39(2) . ?
C40 H40A 0.9300 . ?
C41 C42 1.40(2) . ?
C41 H41A 0.9300 . ?
C42 C43 1.46(2) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C51 1.36(2) . ?
C46 C47 1.51(2) . ?
C47 C48 1.28(2) . ?
C47 H47A 0.9300 . ?
C48 C49 1.32(2) . ?
C48 H48A 0.9300 . ?
C49 C50 1.43(2) . ?
C49 H49A 0.9300 . ?
C50 C52 1.43(2) . ?
C50 C51 1.47(2) . ?
C52 H52A 0.9300 . ?
C53 C54 1.48(2) . ?
C53 H53B 0.9700 . ?
C53 H53A 0.9700 . ?
C54 C55 1.60(2) . ?
C54 H54B 0.9700 . ?
C54 H54A 0.9700 . ?
C55 C56 1.54(3) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.549(17) . ?
C56 H56B 0.9700 . ?
C56 H56A 0.9700 . ?
C57 C58 1.530(16) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.460(14) . ?
C59 H59A 0.9300 . ?
C60 C61 1.41(2) . ?
C60 C65 1.42(2) . ?
C61 C62 1.44(2) . ?
C61 H61A 0.9300 . ?
C62 C63 1.41(2) . ?
C62 H62A 0.9300 . ?
C63 C64 1.32(2) . ?
C63 H63A 0.9300 . ?
C64 C65 1.47(2) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 C69 1.336(18) . ?
C68 C73 1.383(19) . ?
C69 C70 1.40(2) . ?
C69 H69A 0.9300 . ?
C70 C71 1.42(2) . ?
C70 H70A 0.9300 . ?
C71 C72 1.44(2) . ?
C71 H71A 0.9300 . ?
C72 C73 1.41(2) . ?
C72 C74 1.44(2) . ?
C74 H74A 0.9300 . ?
C75 C76 1.482(19) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 C77 1.500(18) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C77 C78 1.49(2) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 C79 1.57(2) . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C79 C80 1.52(2) . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 C82 1.45(2) . ?
C81 H81A 0.9300 . ?
C82 C87 1.41(2) . ?
C82 C83 1.432(16) . ?
C83 C84 1.47(3) . ?
C83 H83A 0.9300 . ?
C84 C85 1.40(3) . ?
C84 H84A 0.9300 . ?
C85 C86 1.38(2) . ?
C85 H85A 0.9300 . ?
C86 C87 1.33(2) . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 C91 1.406(19) . ?
C90 C95 1.41(2) . ?
C91 C92 1.36(2) . ?
C91 H91A 0.9300 . ?
C92 C93 1.44(2) . ?
C92 H92A 0.9300 . ?
C93 C94 1.444(19) . ?
C93 H93A 0.9300 . ?
C94 C95 1.374(19) . ?
C94 C96 1.395(19) . ?
C96 H96A 0.9300 . ?
C97 C98 1.559(14) . ?
C97 H97A 0.9700 . ?
C97 H97B 0.9700 . ?
C98 C99 1.514(19) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C99 C100 1.486(19) . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C100 C101 1.539(19) . ?
C100 H10C 0.9700 . ?
C100 H10D 0.9700 . ?
C101 C102 1.487(19) . ?
C101 H10E 0.9700 . ?
C101 H10F 0.9700 . ?
C102 H10G 0.9700 . ?
C102 H10H 0.9700 . ?
C103 C104 1.39(2) . ?
C103 H10I 0.9300 . ?
C104 C109 1.43(2) . ?
C104 C105 1.44(3) . ?
C105 C106 1.43(3) . ?
C105 H10J 0.9300 . ?
C106 C107 1.458(18) . ?
C106 H10K 0.9300 . ?
C107 C108 1.35(2) . ?
C107 H10L 0.9300 . ?
C108 C109 1.41(2) . ?
C110 H11C 0.9600 . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C111 H11F 0.9600 . ?
C111 H11G 0.9600 . ?
C111 H11H 0.9600 . ?
C112 C113 1.40(2) . ?
C112 C117 1.404(19) . ?
C113 C114 1.35(2) . ?
C113 H11I 0.9300 . ?
C114 C115 1.27(2) . ?
C114 H11J 0.9300 . ?
C115 C116 1.42(2) . ?
C115 H11K 0.9300 . ?
C116 C117 1.381(19) . ?
C116 C118 1.43(2) . ?
C118 H11L 0.9300 . ?
C119 C120 1.51(2) . ?
C119 H11M 0.9700 . ?
C119 H11N 0.9700 . ?
C120 C121 1.570(14) . ?
C120 H12C 0.9700 . ?
C120 H12D 0.9700 . ?
C121 C122 1.504(16) . ?
C121 H12E 0.9700 . ?
C121 H12F 0.9700 . ?
C122 C123 1.55(2) . ?
C122 H12G 0.9700 . ?
C122 H12H 0.9700 . ?
C123 C124 1.55(2) . ?
C123 H12I 0.9700 . ?
C123 H12J 0.9700 . ?
C124 H12K 0.9700 . ?
C124 H12L 0.9700 . ?
C125 C126 1.44(2) . ?
C125 H12M 0.9300 . ?
C126 C127 1.37(2) . ?
C126 C131 1.40(2) . ?
C127 C128 1.30(2) . ?
C127 H12N 0.9300 . ?
C128 C129 1.42(3) . ?
C128 H12O 0.9300 . ?
C129 C130 1.44(2) . ?
C129 H12P 0.9300 . ?
C130 C131 1.41(2) . ?
C132 H13D 0.9600 . ?
C132 H13E 0.9600 . ?
C132 H13F 0.9600 . ?
C133 H13G 0.9600 . ?
C133 H13H 0.9600 . ?
C133 H13I 0.9600 . ?
C134 C139 1.350(17) . ?
C134 C135 1.405(19) . ?
C135 C136 1.40(2) . ?
C135 H13J 0.9300 . ?
C136 C137 1.42(2) . ?
C136 H13K 0.9300 . ?
C137 C138 1.43(2) . ?
C137 H13L 0.9300 . ?
C138 C139 1.401(18) . ?
C138 C140 1.425(18) . ?
C140 H14C 0.9300 . ?
C141 C142 1.449(18) . ?
C141 H14D 0.9700 . ?
C141 H14E 0.9700 . ?
C142 C143 1.616(19) . ?
C142 H14F 0.9700 . ?
C142 H14G 0.9700 . ?
C143 C144 1.515(19) . ?
C143 H14H 0.9700 . ?
C143 H14I 0.9700 . ?
C144 C145 1.53(2) . ?
C144 H14J 0.9700 . ?
C144 H14K 0.9700 . ?
C145 C146 1.553(19) . ?
C145 H14L 0.9700 . ?
C145 H14M 0.9700 . ?
C146 H14N 0.9700 . ?
C146 H14O 0.9700 . ?
C147 C148 1.472(15) . ?
C147 H14P 0.9300 . ?
C148 C153 1.34(2) . ?
C148 C149 1.39(2) . ?
C149 C150 1.41(2) . ?
C149 H14Q 0.9300 . ?
C150 C151 1.31(2) . ?
C150 H15B 0.9300 . ?
C151 C152 1.34(2) . ?
C151 H15C 0.9300 . ?
C152 C153 1.50(2) . ?
C154 H15D 0.9600 . ?
C154 H15E 0.9600 . ?
C154 H15F 0.9600 . ?
C155 H15G 0.9600 . ?
C155 H15H 0.9600 . ?
C155 H15I 0.9600 . ?
C156 C157 1.418(19) . ?
C156 C161 1.423(18) . ?
C157 C158 1.37(2) . ?
C157 H15J 0.9300 . ?
C158 C159 1.32(2) . ?
C158 H15K 0.9300 . ?
C159 C160 1.437(19) . ?
C159 H15L 0.9300 . ?
C160 C161 1.389(18) . ?
C160 C162 1.419(18) . ?
C162 H16A 0.9300 . ?
C163 C164 1.581(18) . ?
C163 H16B 0.9700 . ?
C163 H16C 0.9700 . ?
C164 C165 1.494(18) . ?
C164 H16D 0.9700 . ?
C164 H16E 0.9700 . ?
C165 C166 1.549(18) . ?
C165 H16F 0.9700 . ?
C165 H16G 0.9700 . ?
C166 C167 1.467(18) . ?
C166 H16H 0.9700 . ?
C166 H16I 0.9700 . ?
C167 C168 1.573(19) . ?
C167 H16J 0.9700 . ?
C167 H16K 0.9700 . ?
C168 H16L 0.9700 . ?
C168 H16M 0.9700 . ?
C169 C170 1.46(2) . ?
C169 H16N 0.9300 . ?
C170 C175 1.33(2) . ?
C170 C171 1.46(3) . ?
C171 C172 1.36(3) . ?
C171 H17B 0.9300 . ?
C172 C173 1.434(17) . ?
C172 H17C 0.9300 . ?
C173 C174 1.40(2) . ?
C173 H17E 0.9300 . ?
C174 C175 1.44(2) . ?
C176 H17F 0.9600 . ?
C176 H17G 0.9600 . ?
C176 H17H 0.9600 . ?
C177 H17I 0.9600 . ?
C177 H17J 0.9600 . ?
C177 H17K 0.9600 . ?
C178 C183 1.35(2) . ?
C178 C179 1.42(2) . ?
C179 C180 1.41(2) . ?
C179 H17L 0.9300 . ?
C180 C181 1.35(2) . ?
C180 H18B 0.9300 . ?
C181 C182 1.47(2) . ?
C181 H18C 0.9300 . ?
C182 C184 1.40(2) . ?
C182 C183 1.42(2) . ?
C184 H18D 0.9300 . ?
C185 C186 1.51(2) . ?
C185 H18E 0.9700 . ?
C185 H18F 0.9700 . ?
C186 C187 1.525(17) . ?
C186 H18G 0.9700 . ?
C186 H18H 0.9700 . ?
C187 C188 1.485(13) . ?
C187 H18I 0.9700 . ?
C187 H18J 0.9700 . ?
C188 C189 1.531(17) . ?
C188 H18K 0.9700 . ?
C188 H18L 0.9700 . ?
C189 C190 1.57(3) . ?
C189 H18M 0.9700 . ?
C189 H18N 0.9700 . ?
C190 H19B 0.9700 . ?
C190 H19C 0.9700 . ?
C191 C192 1.38(2) . ?
C191 H19D 0.9300 . ?
C192 C197 1.31(2) . ?
C192 C193 1.44(3) . ?
C193 C194 1.41(3) . ?
C193 H19E 0.9300 . ?
C194 C195 1.35(3) . ?
C194 H19G 0.9300 . ?
C195 C196 1.396(16) . ?
C195 H19H 0.9300 . ?
C196 C197 1.455(15) . ?
C198 H19J 0.9600 . ?
C198 H19K 0.9600 . ?
C198 H19L 0.9600 . ?
C199 H19M 0.9600 . ?
C199 H19N 0.9600 . ?
C199 H19O 0.9600 . ?
C200 C201 1.38(2) . ?
C200 C205 1.41(2) . ?
C201 C202 1.441(17) . ?
C201 H20A 0.9300 . ?
C202 C203 1.40(3) . ?
C202 H20C 0.9300 . ?
C203 C204 1.44(3) . ?
C203 H20D 0.9300 . ?
C204 C205 1.42(2) . ?
C204 C206 1.43(2) . ?
C206 H20E 0.9300 . ?
C207 C208 1.505(19) . ?
C207 H20F 0.9700 . ?
C207 H20G 0.9700 . ?
C208 C209 1.539(19) . ?
C208 H20H 0.9700 . ?
C208 H20I 0.9700 . ?
C209 C210 1.528(19) . ?
C209 H20J 0.9700 . ?
C209 H20K 0.9700 . ?
C210 C211 1.538(19) . ?
C210 H21A 0.9700 . ?
C210 H21B 0.9700 . ?
C211 C212 1.591(19) . ?
C211 H21C 0.9700 . ?
C211 H21D 0.9700 . ?
C212 H21E 0.9700 . ?
C212 H21F 0.9700 . ?
C213 C214 1.38(2) . ?
C213 H21G 0.9300 . ?
C214 C219 1.39(2) . ?
C214 C215 1.455(19) . ?
C215 C216 1.433(15) . ?
C215 H21H 0.9300 . ?
C216 C217 1.32(2) . ?
C216 H21I 0.9300 . ?
C217 C218 1.44(2) . ?
C217 H21J 0.9300 . ?
C218 C219 1.36(2) . ?
C220 H22D 0.9600 . ?
C220 H22E 0.9600 . ?
C220 H22F 0.9600 . ?
C221 H22G 0.9600 . ?
C221 H22H 0.9600 . ?
C221 H22I 0.9600 . ?
C222 C227 1.434(17) . ?
C222 C223 1.470(18) . ?
C223 C224 1.424(18) . ?
C223 H22K 0.9300 . ?
C224 C225 1.469(18) . ?
C224 H22L 0.9300 . ?
C225 C226 1.484(18) . ?
C225 H22M 0.9300 . ?
C226 C227 1.41(3) . ?
C226 C228 1.48(3) . ?
C228 H22N 0.9300 . ?
C229 C230 1.52(2) . ?
C229 H22O 0.9700 . ?
C229 H22P 0.9700 . ?
C230 C231 1.56(2) . ?
C230 H23D 0.9700 . ?
C230 H23E 0.9700 . ?
C231 C232 1.517(19) . ?
C231 H23F 0.9700 . ?
C231 H23G 0.9700 . ?
C232 C233 1.501(19) . ?
C232 H23H 0.9700 . ?
C232 H23I 0.9700 . ?
C233 C234 1.554(19) . ?
C233 H23J 0.9700 . ?
C233 H23K 0.9700 . ?
C234 H23L 0.9700 . ?
C234 H23M 0.9700 . ?
C235 C236 1.40(2) . ?
C235 H23N 0.9300 . ?
C236 C237 1.36(2) . ?
C236 C241 1.42(2) . ?
C237 C238 1.34(2) . ?
C237 H23O 0.9300 . ?
C238 C239 1.36(2) . ?
C238 H23P 0.9300 . ?
C239 C240 1.376(19) . ?
C239 H23Q 0.9300 . ?
C240 C241 1.415(19) . ?
C242 H24A 0.9600 . ?
C242 H24B 0.9600 . ?
C242 H24C 0.9600 . ?
C243 C244 1.439(14) . ?
C243 H24D 0.9600 . ?
C243 H24E 0.9600 . ?
C243 H24F 0.9600 . ?
C244 O46 1.41(3) . ?
C244 O45 1.51(3) . ?
C245 C246 1.429(14) . ?
C245 H24G 0.9600 . ?
C245 H24H 0.9600 . ?
C245 H24I 0.9600 . ?
C246 O48 1.270(15) . ?
C246 O47 1.316(16) . ?
C247 C248 1.496(18) . ?
C247 H24J 0.9600 . ?
C247 H24K 0.9600 . ?
C247 H24L 0.9600 . ?
C248 O55 1.231(15) . ?
C248 O56 1.273(15) . ?
C249 C250 1.45(2) . ?
C249 H24M 0.9600 . ?
C249 H24N 0.9600 . ?
C249 H24O 0.9600 . ?
C250 O50 1.224(19) . ?
C250 O49 1.25(2) . ?
C251 C252 1.481(19) . ?
C251 H25B 0.9600 . ?
C251 H25C 0.9600 . ?
C251 H25D 0.9600 . ?
C252 O52 1.255(16) . ?
C252 O51 1.263(16) . ?
C253 C254 1.51(2) . ?
C253 H25E 0.9600 . ?
C253 H25F 0.9600 . ?
C253 H25G 0.9600 . ?
C254 O53 1.242(16) . ?
C254 O54 1.270(17) . ?
C255 C256 1.571(18) . ?
C255 H25H 0.9600 . ?
C255 H25I 0.9600 . ?
C255 H25J 0.9600 . ?
C256 O58 1.194(15) . ?
C256 O57 1.282(15) . ?
C257 C258 1.464(18) . ?
C257 H25K 0.9600 . ?
C257 H25L 0.9600 . ?
C257 H25M 0.9600 . ?
C258 O59 1.290(15) . ?
C258 O60 1.297(16) . ?
C259 C260 1.475(14) . ?
C259 H25N 0.9600 . ?
C259 H25O 0.9600 . ?
C259 H25P 0.9600 . ?
C260 O61 1.231(14) . ?
C260 O62 1.292(15) . ?
C261 C262 1.522(17) . ?
C261 H26B 0.9600 . ?
C261 H26C 0.9600 . ?
C261 H26D 0.9600 . ?
C262 O63 1.19(2) . ?
C262 O64 1.27(2) . ?
C263 C264 1.49(2) . ?
C263 H26E 0.9600 . ?
C263 H26F 0.9600 . ?
C263 H26G 0.9600 . ?
C264 O66 1.294(17) . ?
C264 O65 1.296(16) . ?
C265 C266 1.51(2) . ?
C265 H26H 0.9600 . ?
C265 H26I 0.9600 . ?
C265 H26J 0.9600 . ?
C266 O69 1.263(16) . ?
C266 O70 1.272(16) . ?
C267 C268 1.472(19) . ?
C267 H26K 0.9600 . ?
C267 H26L 0.9600 . ?
C267 H26M 0.9600 . ?
C268 O68 1.228(15) . ?
C268 O67 1.293(16) . ?
C269 C270 1.528(19) . ?
C269 H26N 0.9600 . ?
C269 H26O 0.9600 . ?
C269 H26P 0.9600 . ?
C270 O74 1.245(16) . ?
C270 O73 1.289(17) . ?
C271 C272 1.535(19) . ?
C271 H27B 0.9600 . ?
C271 H27C 0.9600 . ?
C271 H27D 0.9600 . ?
C272 O71 1.221(16) . ?
C272 O72 1.265(16) . ?
C273 C274 1.43(2) . ?
C273 H27E 0.9600 . ?
C273 H27F 0.9600 . ?
C273 H27G 0.9600 . ?
C274 O75 1.275(17) . ?
C274 O76 1.353(18) . ?
C275 C276 1.553(18) . ?
C275 H27H 0.9600 . ?
C275 H27I 0.9600 . ?
C275 H27J 0.9600 . ?
C276 O79 1.259(15) . ?
C276 O80 1.266(16) . ?
C277 C278 1.55(2) . ?
C277 H27K 0.9600 . ?
C277 H27L 0.9600 . ?
C277 H27M 0.9600 . ?
C278 O78 1.218(17) . ?
C278 O77 1.245(18) . ?
C279 C280 1.53(2) . ?
C279 H27N 0.9600 . ?
C279 H27O 0.9600 . ?
C279 H27P 0.9600 . ?
C280 O82 1.17(2) . ?
C280 O81 1.34(2) . ?
C281 C282 1.52(2) . ?
C281 H28A 0.9600 . ?
C281 H28B 0.9600 . ?
C281 H28C 0.9600 . ?
C282 O84 1.235(17) . ?
C282 O83 1.258(17) . ?
C283 C284 1.53(2) . ?
C283 H28D 0.9600 . ?
C283 H28E 0.9600 . ?
C283 H28F 0.9600 . ?
C284 O85 1.239(16) . ?
C284 O86 1.308(16) . ?
C285 C286 1.55(2) . ?
C285 H28G 0.9600 . ?
C285 H28H 0.9600 . ?
C285 H28I 0.9600 . ?
C286 O87 1.186(18) . ?
C286 O88 1.253(19) . ?
C287 C288 1.500(19) . ?
C287 H28J 0.9600 . ?
C287 H28K 0.9600 . ?
C287 H28L 0.9600 . ?
C288 O92 1.259(15) . ?
C288 O91 1.293(16) . ?
C289 C290 1.471(19) . ?
C289 H28M 0.9600 . ?
C289 H28N 0.9600 . ?
C289 H28O 0.9600 . ?
C290 O90 1.272(16) . ?
C290 O89 1.299(16) . ?
C291 C292 1.43(2) . ?
C292 O94 1.276(17) . ?
C292 O93 1.302(17) . ?
C293 C294 1.47(2) . ?
C293 H29A 0.9600 . ?
C293 H29B 0.9600 . ?
C293 H29C 0.9600 . ?
C294 O96 1.244(16) . ?
C294 O95 1.276(16) . ?
C295 C296 1.516(16) . ?
C295 H29D 0.9600 . ?
C295 H29E 0.9600 . ?
C295 H29F 0.9600 . ?
C296 O128 1.119(17) . ?
C296 O127 1.294(19) . ?
C297 C298 1.47(2) . ?
C297 H29G 0.9600 . ?
C297 H29H 0.9600 . ?
C297 H29I 0.9600 . ?
C298 O98 1.232(17) . ?
C298 O97 1.287(17) . ?
C299 C300 1.51(2) . ?
C299 H29J 0.9600 . ?
C299 H29K 0.9600 . ?
C299 H29L 0.9600 . ?
C300 O99 1.236(18) . ?
C300 O100 1.249(18) . ?
C301 C302 1.463(14) . ?
C301 H30B 0.9600 . ?
C301 H30C 0.9600 . ?
C301 H30D 0.9600 . ?
C302 O101 1.260(17) . ?
C302 O102 1.299(17) . ?
C303 C304 1.58(3) . ?
C303 H30E 0.9600 . ?
C303 H30F 0.9600 . ?
C303 H30G 0.9600 . ?
C304 O103 1.19(3) . ?
C304 O104 1.34(2) . ?
C305 C306 1.591(17) . ?
C305 H30H 0.9600 . ?
C305 H30I 0.9600 . ?
C305 H30J 0.9600 . ?
C306 O105 1.204(16) . ?
C306 O106 1.301(16) . ?
C307 C308 1.57(2) . ?
C307 H30K 0.9600 . ?
C307 H30L 0.9600 . ?
C307 H30M 0.9600 . ?
C308 O110 1.235(19) . ?
C308 O109 1.24(2) . ?
C309 C310 1.518(19) . ?
C309 H30N 0.9600 . ?
C309 H30O 0.9600 . ?
C309 H30P 0.9600 . ?
C310 O108 1.267(17) . ?
C310 O107 1.275(17) . ?
C311 C312 1.47(2) . ?
C311 H31C 0.9600 . ?
C311 H31D 0.9600 . ?
C311 H31E 0.9600 . ?
C312 O112 1.252(17) . ?
C312 O111 1.274(17) . ?
C313 C314 1.517(19) . ?
C313 H31F 0.9600 . ?
C313 H31G 0.9600 . ?
C313 H31H 0.9600 . ?
C314 O115 1.244(15) . ?
C314 O116 1.255(15) . ?
C315 C316 1.448(15) . ?
C315 H31I 0.9600 . ?
C315 H31J 0.9600 . ?
C315 H31K 0.9600 . ?
C316 O114 1.255(19) . ?
C316 O113 1.291(18) . ?
C317 C318 1.498(18) . ?
C317 H31L 0.9600 . ?
C317 H31M 0.9600 . ?
C317 H31N 0.9600 . ?
C318 O119 1.20(3) . ?
C318 O120 1.24(3) . ?
C319 C320 1.47(2) . ?
C319 H31O 0.9600 . ?
C319 H31P 0.9600 . ?
C319 H31Q 0.9600 . ?
C320 O122 1.180(17) . ?
C320 O121 1.305(18) . ?
C321 C322 1.457(18) . ?
C321 H32B 0.9600 . ?
C321 H32C 0.9600 . ?
C321 H32D 0.9600 . ?
C322 O118 1.289(16) . ?
C322 O117 1.291(16) . ?
C323 C324 1.515(18) . ?
C323 H32E 0.9600 . ?
C323 H32F 0.9600 . ?
C323 H32G 0.9600 . ?
C324 O124 1.235(15) . ?
C324 O123 1.244(15) . ?
C325 C326 1.506(19) . ?
C325 H32H 0.9600 . ?
C325 H32I 0.9600 . ?
C325 H32J 0.9600 . ?
C326 O126 1.233(16) . ?
C326 O125 1.245(16) . ?
C327 C328 1.554(13) . ?
C327 H32K 0.9600 . ?
C327 H32L 0.9600 . ?
C327 H32M 0.9600 . ?
C328 O130 1.143(14) . ?
C328 O129 1.227(14) . ?

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
O30 Nd1 O69 115.1(2) . . ?
O30 Nd1 O67 148.0(2) . . ?
O69 Nd1 O67 76.5(3) . . ?
O30 Nd1 O26 132.6(3) . . ?
O69 Nd1 O26 85.9(2) . . ?
O67 Nd1 O26 75.5(2) . . ?
O30 Nd1 O72 82.0(2) . . ?
O69 Nd1 O72 146.1(3) . . ?
O67 Nd1 O72 75.0(3) . . ?
O26 Nd1 O72 104.1(2) . . ?
O30 Nd1 O73 70.9(2) . . ?
O69 Nd1 O73 80.1(3) . . ?
O67 Nd1 O73 82.8(3) . . ?
O26 Nd1 O73 156.4(2) . . ?
O72 Nd1 O73 78.5(3) . . ?
O30 Nd1 O25 77.3(3) . . ?
O69 Nd1 O25 141.0(2) . . ?
O67 Nd1 O25 113.4(2) . . ?
O26 Nd1 O25 62.5(3) . . ?
O72 Nd1 O25 68.9(2) . . ?
O73 Nd1 O25 137.0(2) . . ?
O30 Nd1 N15 71.2(3) . . ?
O69 Nd1 N15 74.9(2) . . ?
O67 Nd1 N15 139.8(2) . . ?
O26 Nd1 N15 74.8(3) . . ?
O72 Nd1 N15 138.9(2) . . ?
O73 Nd1 N15 118.8(2) . . ?
O25 Nd1 N15 75.1(3) . . ?
O30 Nd1 Cd1 38.4(2) . . ?
O69 Nd1 Cd1 110.5(2) . . ?
O67 Nd1 Cd1 110.2(2) . . ?
O26 Nd1 Cd1 163.4(2) . . ?
O72 Nd1 Cd1 63.9(2) . . ?
O73 Nd1 Cd1 37.3(2) . . ?
O25 Nd1 Cd1 101.4(2) . . ?
N15 Nd1 Cd1 106.0(2) . . ?
O80 Nd2 O42 113.3(3) . . ?
O80 Nd2 O78 77.6(4) . . ?
O42 Nd2 O78 149.8(3) . . ?
O80 Nd2 O82 144.9(4) . . ?
O42 Nd2 O82 81.7(3) . . ?
O78 Nd2 O82 75.4(4) . . ?
O80 Nd2 O38 85.9(2) . . ?
O42 Nd2 O38 131.1(3) . . ?
O78 Nd2 O38 75.7(2) . . ?
O82 Nd2 O38 108.5(3) . . ?
O80 Nd2 O83 78.1(3) . . ?
O42 Nd2 O83 70.2(3) . . ?
O78 Nd2 O83 85.8(3) . . ?
O82 Nd2 O83 77.8(3) . . ?
O38 Nd2 O83 157.8(2) . . ?
O80 Nd2 O37 142.4(2) . . ?
O42 Nd2 O37 78.5(4) . . ?
O78 Nd2 O37 110.7(3) . . ?
O82 Nd2 O37 69.6(3) . . ?
O38 Nd2 O37 62.5(3) . . ?
O83 Nd2 O37 137.5(2) . . ?
O80 Nd2 N21 74.4(2) . . ?
O42 Nd2 N21 68.4(4) . . ?
O78 Nd2 N21 140.7(3) . . ?
O82 Nd2 N21 139.6(3) . . ?
O38 Nd2 N21 75.3(4) . . ?
O83 Nd2 N21 114.3(3) . . ?
O37 Nd2 N21 78.0(4) . . ?
O80 Nd2 Cd4 108.8(2) . . ?
O42 Nd2 Cd4 36.4(3) . . ?
O78 Nd2 Cd4 114.1(2) . . ?
O82 Nd2 Cd4 63.8(3) . . ?
O38 Nd2 Cd4 163.4(2) . . ?
O83 Nd2 Cd4 38.3(2) . . ?
O37 Nd2 Cd4 101.0(2) . . ?
N21 Nd2 Cd4 100.8(3) . . ?
O14 Nd3 O18 128.4(3) . . ?
O14 Nd3 O57 87.0(2) . . ?
O18 Nd3 O57 118.7(2) . . ?
O14 Nd3 O59 107.3(2) . . ?
O18 Nd3 O59 81.5(2) . . ?
O57 Nd3 O59 140.3(3) . . ?
O14 Nd3 O55 77.2(2) . . ?
O18 Nd3 O55 149.4(2) . . ?
O57 Nd3 O55 73.8(3) . . ?
O59 Nd3 O55 73.8(3) . . ?
O14 Nd3 O62 161.1(2) . . ?
O18 Nd3 O62 70.5(2) . . ?
O57 Nd3 O62 80.5(3) . . ?
O59 Nd3 O62 74.8(3) . . ?
O55 Nd3 O62 85.6(3) . . ?
O14 Nd3 N9 73.7(3) . . ?
O18 Nd3 N9 70.6(4) . . ?
O57 Nd3 N9 76.9(3) . . ?
O59 Nd3 N9 142.3(3) . . ?
O55 Nd3 N9 139.3(3) . . ?
O62 Nd3 N9 116.6(3) . . ?
O14 Nd3 O13 63.5(3) . . ?
O18 Nd3 O13 73.3(3) . . ?
O57 Nd3 O13 145.5(2) . . ?
O59 Nd3 O13 70.0(2) . . ?
O55 Nd3 O13 113.3(2) . . ?
O62 Nd3 O13 132.3(2) . . ?
N9 Nd3 O13 77.8(3) . . ?
O14 Nd3 Cd10 158.5(2) . . ?
O18 Nd3 Cd10 37.6(2) . . ?
O57 Nd3 Cd10 113.9(2) . . ?
O59 Nd3 Cd10 60.2(2) . . ?
O55 Nd3 Cd10 112.4(2) . . ?
O62 Nd3 Cd10 38.5(2) . . ?
N9 Nd3 Cd10 105.0(3) . . ?
O13 Nd3 Cd10 95.0(2) . . ?
O102 Nd4 O19 85.5(3) . . ?
O102 Nd4 O99 75.7(4) . . ?
O19 Nd4 O99 76.2(3) . . ?
O102 Nd4 O15 115.2(3) . . ?
O19 Nd4 O15 129.5(3) . . ?
O99 Nd4 O15 150.8(3) . . ?
O102 Nd4 O95 77.4(3) . . ?
O19 Nd4 O95 159.3(3) . . ?
O99 Nd4 O95 88.2(3) . . ?
O15 Nd4 O95 69.4(2) . . ?
O102 Nd4 O97 140.8(3) . . ?
O19 Nd4 O97 113.3(3) . . ?
O99 Nd4 O97 76.1(4) . . ?
O15 Nd4 O97 80.0(2) . . ?
O95 Nd4 O97 75.0(3) . . ?
O102 Nd4 O20 146.1(3) . . ?
O19 Nd4 O20 63.9(4) . . ?
O99 Nd4 O20 108.2(3) . . ?
O15 Nd4 O20 78.3(4) . . ?
O95 Nd4 O20 135.3(3) . . ?
O97 Nd4 O20 69.6(3) . . ?
O102 Nd4 N8 77.1(3) . . ?
O19 Nd4 N8 72.6(4) . . ?
O99 Nd4 N8 139.7(3) . . ?
O15 Nd4 N8 68.8(4) . . ?
O95 Nd4 N8 114.0(3) . . ?
O97 Nd4 N8 140.2(3) . . ?
O20 Nd4 N8 80.0(4) . . ?
O102 Nd4 Cd13 109.5(3) . . ?
O19 Nd4 Cd13 162.4(3) . . ?
O99 Nd4 Cd13 115.4(3) . . ?
O15 Nd4 Cd13 36.2(2) . . ?
O95 Nd4 Cd13 38.2(2) . . ?
O97 Nd4 Cd13 60.5(2) . . ?
O20 Nd4 Cd13 99.1(3) . . ?
N8 Nd4 Cd13 101.4(3) . . ?
O43 Nd5 O123 77.1(2) . . ?
O43 Nd5 O39 128.7(3) . . ?
O123 Nd5 O39 149.3(2) . . ?
O43 Nd5 O125 85.8(2) . . ?
O123 Nd5 O125 75.3(3) . . ?
O39 Nd5 O125 117.8(2) . . ?
O43 Nd5 O122 108.2(2) . . ?
O123 Nd5 O122 73.4(3) . . ?
O39 Nd5 O122 81.6(2) . . ?
O125 Nd5 O122 141.5(3) . . ?
O43 Nd5 O118 160.0(2) . . ?
O123 Nd5 O118 85.9(3) . . ?
O39 Nd5 O118 70.8(2) . . ?
O125 Nd5 O118 79.7(3) . . ?
O122 Nd5 O118 76.2(3) . . ?
O43 Nd5 N20 72.7(3) . . ?
O123 Nd5 N20 139.6(3) . . ?
O39 Nd5 N20 70.6(4) . . ?
O125 Nd5 N20 76.3(3) . . ?
O122 Nd5 N20 141.8(3) . . ?
O118 Nd5 N20 116.4(3) . . ?
O43 Nd5 O44 62.5(3) . . ?
O123 Nd5 O44 112.7(2) . . ?
O39 Nd5 O44 74.6(3) . . ?
O125 Nd5 O44 142.7(2) . . ?
O122 Nd5 O44 71.8(2) . . ?
O118 Nd5 O44 135.5(2) . . ?
N20 Nd5 O44 75.8(3) . . ?
O43 Nd5 Cd19 160.4(2) . . ?
O123 Nd5 Cd19 112.7(2) . . ?
O39 Nd5 Cd19 37.5(2) . . ?
O125 Nd5 Cd19 112.7(2) . . ?
O122 Nd5 Cd19 61.4(2) . . ?
O118 Nd5 Cd19 38.6(2) . . ?
N20 Nd5 Cd19 104.6(3) . . ?
O44 Nd5 Cd19 97.9(2) . . ?
O116 Nd6 O27 113.8(2) . . ?
O116 Nd6 O31 87.6(2) . . ?
O27 Nd6 O31 134.4(3) . . ?
O116 Nd6 O111 77.4(3) . . ?
O27 Nd6 O111 146.7(3) . . ?
O31 Nd6 O111 74.7(3) . . ?
O116 Nd6 O110 146.5(4) . . ?
O27 Nd6 O110 80.7(2) . . ?
O31 Nd6 O110 103.7(3) . . ?
O111 Nd6 O110 75.5(3) . . ?
O116 Nd6 O107 78.2(3) . . ?
O27 Nd6 O107 71.4(2) . . ?
O31 Nd6 O107 154.2(2) . . ?
O111 Nd6 O107 81.3(4) . . ?
O110 Nd6 O107 78.6(3) . . ?
O116 Nd6 N14 74.9(2) . . ?
O27 Nd6 N14 72.5(4) . . ?
O31 Nd6 N14 75.4(4) . . ?
O111 Nd6 N14 139.7(3) . . ?
O110 Nd6 N14 138.2(3) . . ?
O107 Nd6 N14 120.2(3) . . ?
O116 Nd6 O32 140.8(3) . . ?
O27 Nd6 O32 78.3(3) . . ?
O31 Nd6 O32 62.0(3) . . ?
O111 Nd6 O32 113.7(3) . . ?
O110 Nd6 O32 69.6(3) . . ?
O107 Nd6 O32 138.9(2) . . ?
N14 Nd6 O32 73.9(3) . . ?
O116 Nd6 Cd22 108.5(2) . . ?
O27 Nd6 Cd22 37.4(2) . . ?
O31 Nd6 Cd22 163.8(2) . . ?
O111 Nd6 Cd22 109.9(3) . . ?
O110 Nd6 Cd22 63.9(3) . . ?
O107 Nd6 Cd22 38.2(2) . . ?
N14 Nd6 Cd22 106.3(3) . . ?
O32 Nd6 Cd22 102.6(2) . . ?
O116 Nd6 Cd21 66.3(2) . . ?
O27 Nd6 Cd21 169.2(3) . . ?
O31 Nd6 Cd21 35.9(2) . . ?
O111 Nd6 Cd21 43.9(3) . . ?
O110 Nd6 Cd21 105.1(2) . . ?
O107 Nd6 Cd21 118.4(2) . . ?
N14 Nd6 Cd21 97.5(3) . . ?
O32 Nd6 Cd21 95.1(2) . . ?
Cd22 Nd6 Cd21 153.39(4) . . ?
O34 Cd1 N17 84.5(4) . . ?
O34 Cd1 O73 133.4(2) . . ?
N17 Cd1 O73 111.2(3) . . ?
O34 Cd1 O71 75.7(2) . . ?
N17 Cd1 O71 157.8(3) . . ?
O73 Cd1 O71 90.0(3) . . ?
O34 Cd1 O30 151.8(3) . . ?
N17 Cd1 O30 95.2(4) . . ?
O73 Cd1 O30 72.9(2) . . ?
O71 Cd1 O30 97.4(2) . . ?
O34 Cd1 O29 85.8(3) . . ?
N17 Cd1 O29 81.7(4) . . ?
O73 Cd1 O29 138.3(2) . . ?
O71 Cd1 O29 86.7(2) . . ?
O30 Cd1 O29 66.4(3) . . ?
O34 Cd1 Nd1 155.4(2) . . ?
N17 Cd1 Nd1 120.0(3) . . ?
O73 Cd1 Nd1 40.4(2) . . ?
O71 Cd1 Nd1 80.3(2) . . ?
O30 Cd1 Nd1 37.4(2) . . ?
O29 Cd1 Nd1 98.3(2) . . ?
O129 Cd2 O34 106.9(4) . . ?
O129 Cd2 O71 117.2(5) . . ?
O34 Cd2 O71 74.7(3) . . ?
O129 Cd2 O75 94.5(5) . . ?
O34 Cd2 O75 147.2(2) . . ?
O71 Cd2 O75 117.2(3) . . ?
O129 Cd2 O33 79.4(5) . . ?
O34 Cd2 O33 66.6(4) . . ?
O71 Cd2 O33 141.0(3) . . ?
O75 Cd2 O33 94.4(3) . . ?
O129 Cd2 O76 148.1(5) . . ?
O34 Cd2 O76 95.7(2) . . ?
O71 Cd2 O76 90.0(3) . . ?
O75 Cd2 O76 56.2(3) . . ?
O33 Cd2 O76 89.6(3) . . ?
O77 Cd3 O38 106.8(3) . . ?
O77 Cd3 O79 92.3(3) . . ?
O38 Cd3 O79 98.6(2) . . ?
O77 Cd3 N19 168.7(3) . . ?
O38 Cd3 N19 79.1(4) . . ?
O79 Cd3 N19 96.4(3) . . ?
O77 Cd3 O76 83.5(3) . . ?
O38 Cd3 O76 84.9(3) . . ?
O79 Cd3 O76 175.2(3) . . ?
N19 Cd3 O76 87.5(3) . . ?
O77 Cd3 O74 87.4(3) . . ?
O38 Cd3 O74 161.3(2) . . ?
O79 Cd3 O74 92.8(3) . . ?
N19 Cd3 O74 85.0(3) . . ?
O76 Cd3 O74 84.7(3) . . ?
O2 Cd4 N1 82.7(6) . . ?
O2 Cd4 O81 82.3(4) . . ?
N1 Cd4 O81 165.0(4) . . ?
O2 Cd4 O42 151.1(5) . . ?
N1 Cd4 O42 95.8(5) . . ?
O81 Cd4 O42 96.9(4) . . ?
O2 Cd4 O83 136.5(4) . . ?
N1 Cd4 O83 105.1(4) . . ?
O81 Cd4 O83 86.6(5) . . ?
O42 Cd4 O83 71.9(2) . . ?
O2 Cd4 O41 82.3(6) . . ?
N1 Cd4 O41 94.5(6) . . ?
O81 Cd4 O41 82.5(5) . . ?
O42 Cd4 O41 69.0(5) . . ?
O83 Cd4 O41 137.7(4) . . ?
O2 Cd4 Nd2 160.5(4) . . ?
N1 Cd4 Nd2 116.6(4) . . ?
O81 Cd4 Nd2 78.4(4) . . ?
O42 Cd4 Nd2 36.7(3) . . ?
O83 Cd4 Nd2 39.8(2) . . ?
O41 Cd4 Nd2 97.9(4) . . ?
O45 Cd5 O2 132.7(5) . . ?
O45 Cd5 O131 96.0(5) . . ?
O2 Cd5 O131 126.3(6) . . ?
O45 Cd5 O46 62.8(6) . . ?
O2 Cd5 O46 76.8(4) . . ?
O131 Cd5 O46 156.9(4) . . ?
O45 Cd5 O81 113.0(6) . . ?
O2 Cd5 O81 75.4(4) . . ?
O131 Cd5 O81 109.1(5) . . ?
O46 Cd5 O81 74.1(5) . . ?
O45 Cd5 O1 81.5(5) . . ?
O2 Cd5 O1 62.4(5) . . ?
O131 Cd5 O1 116.5(5) . . ?
O46 Cd5 O1 71.8(3) . . ?
O81 Cd5 O1 130.3(3) . . ?
O6 Cd6 O47 101.2(2) . . ?
O6 Cd6 N3 79.8(4) . . ?
O47 Cd6 N3 170.2(3) . . ?
O6 Cd6 O84 166.8(3) . . ?
O47 Cd6 O84 91.9(4) . . ?
N3 Cd6 O84 87.6(3) . . ?
O6 Cd6 O46 89.8(3) . . ?
O47 Cd6 O46 85.0(4) . . ?
N3 Cd6 O46 104.8(3) . . ?
O84 Cd6 O46 89.7(4) . . ?
O6 Cd6 O52 78.2(2) . . ?
O47 Cd6 O52 79.6(3) . . ?
N3 Cd6 O52 91.1(3) . . ?
O84 Cd6 O52 106.1(4) . . ?
O46 Cd6 O52 158.1(4) . . ?
O6 Cd6 Cd7 39.2(2) . . ?
O47 Cd6 Cd7 75.4(3) . . ?
N3 Cd6 Cd7 100.3(3) . . ?
O84 Cd6 Cd7 149.5(3) . . ?
O46 Cd6 Cd7 116.0(3) . . ?
O52 Cd6 Cd7 44.9(2) . . ?
O10 Cd7 O6 124.6(4) . . ?
O10 Cd7 N5 83.1(5) . . ?
O6 Cd7 N5 98.1(4) . . ?
O10 Cd7 O48 79.5(3) . . ?
O6 Cd7 O48 83.5(2) . . ?
N5 Cd7 O48 159.7(4) . . ?
O10 Cd7 O51 98.2(3) . . ?
O6 Cd7 O51 131.2(2) . . ?
N5 Cd7 O51 110.3(3) . . ?
O48 Cd7 O51 82.6(3) . . ?
O10 Cd7 O52 151.9(3) . . ?
O6 Cd7 O52 80.3(2) . . ?
N5 Cd7 O52 108.2(4) . . ?
O48 Cd7 O52 92.1(3) . . ?
O51 Cd7 O52 53.9(3) . . ?
O10 Cd7 Cd6 144.9(3) . . ?
O6 Cd7 Cd6 38.2(2) . . ?
N5 Cd7 Cd6 123.5(4) . . ?
O48 Cd7 Cd6 69.3(2) . . ?
O51 Cd7 Cd6 93.3(2) . . ?
O52 Cd7 Cd6 48.1(2) . . ?
O54 Cd8 O10 139.6(3) . . ?
O54 Cd8 O50 110.9(4) . . ?
O10 Cd8 O50 98.7(3) . . ?
O54 Cd8 O48 108.0(3) . . ?
O10 Cd8 O48 78.8(3) . . ?
O50 Cd8 O48 118.9(4) . . ?
O54 Cd8 O49 84.3(4) . . ?
O10 Cd8 O49 136.2(3) . . ?
O50 Cd8 O49 52.9(4) . . ?
O48 Cd8 O49 87.4(4) . . ?
O54 Cd8 O9 91.7(3) . . ?
O10 Cd8 O9 67.7(4) . . ?
O50 Cd8 O9 77.9(3) . . ?
O48 Cd8 O9 144.8(3) . . ?
O49 Cd8 O9 124.3(3) . . ?
O54 Cd8 O53 54.7(3) . . ?
O10 Cd8 O53 88.2(3) . . ?
O50 Cd8 O53 158.1(4) . . ?
O48 Cd8 O53 82.7(3) . . ?
O49 Cd8 O53 131.3(4) . . ?
O9 Cd8 O53 85.7(3) . . ?
O54 Cd8 C254 27.6(4) . . ?
O10 Cd8 C254 114.1(4) . . ?
O50 Cd8 C254 136.7(5) . . ?
O48 Cd8 C254 95.5(4) . . ?
O49 Cd8 C254 108.4(5) . . ?
O9 Cd8 C254 88.9(3) . . ?
O53 Cd8 C254 27.1(4) . . ?
O54 Cd8 C250 98.5(5) . . ?
O10 Cd8 C250 118.8(4) . . ?
O50 Cd8 C250 26.0(4) . . ?
O48 Cd8 C250 104.4(5) . . ?
O49 Cd8 C250 26.9(5) . . ?
O9 Cd8 C250 101.0(4) . . ?
O53 Cd8 C250 152.8(5) . . ?
C254 Cd8 C250 126.0(5) . . ?
O56 Cd9 O14 110.5(2) . . ?
O56 Cd9 O58 90.3(3) . . ?
O14 Cd9 O58 93.8(2) . . ?
O56 Cd9 N7 165.7(3) . . ?
O14 Cd9 N7 81.1(4) . . ?
O58 Cd9 N7 97.3(3) . . ?
O56 Cd9 O53 82.8(3) . . ?
O14 Cd9 O53 82.9(2) . . ?
O58 Cd9 O53 170.8(3) . . ?
N7 Cd9 O53 90.7(3) . . ?
O56 Cd9 O51 84.2(3) . . ?
O14 Cd9 O51 160.6(2) . . ?
O58 Cd9 O51 98.8(3) . . ?
N7 Cd9 O51 82.8(3) . . ?
O53 Cd9 O51 86.7(3) . . ?
N11 Cd10 O60 157.2(3) . . ?
N11 Cd10 O22 83.5(4) . . ?
O60 Cd10 O22 75.3(2) . . ?
N11 Cd10 O18 94.2(4) . . ?
O60 Cd10 O18 100.9(2) . . ?
O22 Cd10 O18 152.8(3) . . ?
N11 Cd10 O62 108.4(3) . . ?
O60 Cd10 O62 92.7(3) . . ?
O22 Cd10 O62 134.6(2) . . ?
O18 Cd10 O62 71.9(2) . . ?
N11 Cd10 O17 82.8(4) . . ?
O60 Cd10 O17 87.5(2) . . ?
O22 Cd10 O17 86.1(3) . . ?
O18 Cd10 O17 66.7(3) . . ?
O62 Cd10 O17 137.8(2) . . ?
N11 Cd10 Nd3 118.8(3) . . ?
O60 Cd10 Nd3 82.9(2) . . ?
O22 Cd10 Nd3 157.6(2) . . ?
O18 Cd10 Nd3 37.1(2) . . ?
O62 Cd10 Nd3 40.6(2) . . ?
O17 Cd10 Nd3 97.9(2) . . ?
O22 Cd11 O60 74.2(2) . . ?
O22 Cd11 O66 143.7(3) . . ?
O60 Cd11 O66 123.9(4) . . ?
O22 Cd11 O63 100.2(4) . . ?
O60 Cd11 O63 109.5(4) . . ?
O66 Cd11 O63 101.5(4) . . ?
O22 Cd11 O65 97.7(2) . . ?
O60 Cd11 O65 87.8(3) . . ?
O66 Cd11 O65 56.6(4) . . ?
O63 Cd11 O65 157.9(4) . . ?
O22 Cd11 O21 67.1(3) . . ?
O60 Cd11 O21 141.3(2) . . ?
O66 Cd11 O21 90.1(3) . . ?
O63 Cd11 O21 76.9(4) . . ?
O65 Cd11 O21 98.4(2) . . ?
O22 Cd11 O64 133.7(4) . . ?
O60 Cd11 O64 81.2(4) . . ?
O66 Cd11 O64 82.3(5) . . ?
O63 Cd11 O64 52.5(5) . . ?
O65 Cd11 O64 120.2(4) . . ?
O21 Cd11 O64 125.5(4) . . ?
O22 Cd11 C264 123.8(3) . . ?
O60 Cd11 C264 105.1(4) . . ?
O66 Cd11 C264 28.3(4) . . ?
O63 Cd11 C264 129.8(5) . . ?
O65 Cd11 C264 28.5(4) . . ?
O21 Cd11 C264 97.6(3) . . ?
O64 Cd11 C264 100.0(5) . . ?
O22 Cd11 C262 116.7(5) . . ?
O60 Cd11 C262 94.6(6) . . ?
O66 Cd11 C262 94.4(6) . . ?
O63 Cd11 C262 25.3(6) . . ?
O65 Cd11 C262 144.9(6) . . ?
O21 Cd11 C262 101.2(6) . . ?
O64 Cd11 C262 27.3(5) . . ?
C264 Cd11 C262 119.2(6) . . ?
O68 Cd12 N13 157.0(3) . . ?
O68 Cd12 O70 102.5(3) . . ?
N13 Cd12 O70 98.8(3) . . ?
O68 Cd12 O26 108.0(2) . . ?
N13 Cd12 O26 78.0(4) . . ?
O70 Cd12 O26 96.0(2) . . ?
O68 Cd12 O61 86.1(3) . . ?
N13 Cd12 O61 84.9(3) . . ?
O70 Cd12 O61 91.4(3) . . ?
O26 Cd12 O61 162.2(2) . . ?
O68 Cd12 O65 78.2(3) . . ?
N13 Cd12 O65 80.3(3) . . ?
O70 Cd12 O65 178.2(3) . . ?
O26 Cd12 O65 85.2(2) . . ?
O61 Cd12 O65 87.0(3) . . ?
N6 Cd13 O11 83.0(4) . . ?
N6 Cd13 O15 97.7(4) . . ?
O11 Cd13 O15 150.4(4) . . ?
N6 Cd13 O98 160.4(3) . . ?
O11 Cd13 O98 77.3(3) . . ?
O15 Cd13 O98 98.9(3) . . ?
N6 Cd13 O95 101.1(3) . . ?
O11 Cd13 O95 135.6(3) . . ?
O15 Cd13 O95 73.5(3) . . ?
O98 Cd13 O95 93.6(4) . . ?
N6 Cd13 O16 90.0(4) . . ?
O11 Cd13 O16 82.8(4) . . ?
O15 Cd13 O16 67.6(4) . . ?
O98 Cd13 O16 86.7(3) . . ?
O95 Cd13 O16 140.7(3) . . ?
N6 Cd13 Nd4 117.2(3) . . ?
O11 Cd13 Nd4 159.0(3) . . ?
O15 Cd13 Nd4 39.0(2) . . ?
O98 Cd13 Nd4 82.4(3) . . ?
O95 Cd13 Nd4 39.9(3) . . ?
O16 Cd13 Nd4 101.6(3) . . ?
O11 Cd14 O94 139.6(3) . . ?
O11 Cd14 O128 98.6(3) . . ?
O94 Cd14 O128 103.3(4) . . ?
O11 Cd14 O98 76.5(3) . . ?
O94 Cd14 O98 115.5(4) . . ?
O128 Cd14 O98 124.8(4) . . ?
O11 Cd14 O93 89.4(3) . . ?
O94 Cd14 O93 55.5(3) . . ?
O128 Cd14 O93 149.2(4) . . ?
O98 Cd14 O93 86.0(3) . . ?
O11 Cd14 O127 122.9(4) . . ?
O94 Cd14 O127 97.4(4) . . ?
O128 Cd14 O127 54.9(5) . . ?
O98 Cd14 O127 81.5(4) . . ?
O93 Cd14 O127 140.8(4) . . ?
O11 Cd14 O12 66.4(3) . . ?
O94 Cd14 O12 85.6(3) . . ?
O128 Cd14 O12 77.7(4) . . ?
O98 Cd14 O12 139.6(2) . . ?
O93 Cd14 O12 78.4(2) . . ?
O127 Cd14 O12 132.1(4) . . ?
O11 Cd14 C296 113.5(4) . . ?
O94 Cd14 C296 100.3(4) . . ?
O128 Cd14 C296 25.5(4) . . ?
O98 Cd14 C296 106.4(4) . . ?
O93 Cd14 C296 155.8(4) . . ?
O127 Cd14 C296 29.6(4) . . ?
O12 Cd14 C296 102.7(4) . . ?
O11 Cd14 C292 115.5(4) . . ?
O94 Cd14 C292 27.3(4) . . ?
O128 Cd14 C292 127.6(5) . . ?
O98 Cd14 C292 102.1(4) . . ?
O93 Cd14 C292 28.2(4) . . ?
O127 Cd14 C292 120.4(5) . . ?
O12 Cd14 C292 81.0(3) . . ?
C296 Cd14 C292 127.6(5) . . ?
O7 Cd15 O91 103.1(3) . . ?
O7 Cd15 O96 165.5(3) . . ?
O91 Cd15 O96 91.1(4) . . ?
O7 Cd15 N4 77.8(4) . . ?
O91 Cd15 N4 168.1(3) . . ?
O96 Cd15 N4 87.7(3) . . ?
O7 Cd15 O93 92.2(3) . . ?
O91 Cd15 O93 88.0(3) . . ?
O96 Cd15 O93 91.5(4) . . ?
N4 Cd15 O93 103.8(3) . . ?
O3 Cd16 O7 126.3(4) . . ?
O3 Cd16 N2 83.6(4) . . ?
O7 Cd16 N2 96.0(4) . . ?
O3 Cd16 O92 78.0(3) . . ?
O7 Cd16 O92 86.6(3) . . ?
N2 Cd16 O92 158.8(3) . . ?
O3 Cd16 O89 96.4(3) . . ?
O7 Cd16 O89 132.3(3) . . ?
N2 Cd16 O89 110.4(3) . . ?
O92 Cd16 O89 82.4(3) . . ?
O3 Cd16 O90 150.4(3) . . ?
O7 Cd16 O90 79.2(2) . . ?
N2 Cd16 O90 110.8(3) . . ?
O92 Cd16 O90 90.3(3) . . ?
O89 Cd16 O90 54.8(3) . . ?
O86 Cd17 O3 139.8(3) . . ?
O86 Cd17 O92 110.2(3) . . ?
O3 Cd17 O92 77.9(3) . . ?
O86 Cd17 O87 109.6(4) . . ?
O3 Cd17 O87 99.0(3) . . ?
O92 Cd17 O87 118.5(4) . . ?
O86 Cd17 O4 90.2(3) . . ?
O3 Cd17 O4 67.8(4) . . ?
O92 Cd17 O4 144.0(3) . . ?
O87 Cd17 O4 78.8(3) . . ?
O86 Cd17 O85 55.3(3) . . ?
O3 Cd17 O85 88.2(3) . . ?
O92 Cd17 O85 83.9(3) . . ?
O87 Cd17 O85 157.4(4) . . ?
O4 Cd17 O85 84.2(3) . . ?
O86 Cd17 O88 83.7(4) . . ?
O3 Cd17 O88 136.5(3) . . ?
O92 Cd17 O88 87.8(3) . . ?
O87 Cd17 O88 52.8(4) . . ?
O4 Cd17 O88 124.8(3) . . ?
O85 Cd17 O88 131.3(4) . . ?
O86 Cd17 C284 28.3(4) . . ?
O3 Cd17 C284 113.6(3) . . ?
O92 Cd17 C284 97.9(4) . . ?
O87 Cd17 C284 135.6(4) . . ?
O4 Cd17 C284 86.2(3) . . ?
O85 Cd17 C284 27.0(3) . . ?
O88 Cd17 C284 109.0(4) . . ?
O86 Cd17 C286 97.4(5) . . ?
O3 Cd17 C286 119.0(4) . . ?
O92 Cd17 C286 104.8(5) . . ?
O87 Cd17 C286 25.6(4) . . ?
O4 Cd17 C286 101.4(4) . . ?
O85 Cd17 C286 152.4(5) . . ?
O88 Cd17 C286 27.2(4) . . ?
C284 Cd17 C286 125.7(5) . . ?
O124 Cd18 N22 167.1(3) . . ?
O124 Cd18 O126 90.7(3) . . ?
N22 Cd18 O126 96.7(3) . . ?
O124 Cd18 O43 110.2(3) . . ?
N22 Cd18 O43 79.8(4) . . ?
O126 Cd18 O43 93.9(2) . . ?
O124 Cd18 O85 82.9(3) . . ?
N22 Cd18 O85 90.4(3) . . ?
O126 Cd18 O85 172.3(3) . . ?
O43 Cd18 O85 84.5(2) . . ?
O124 Cd18 O89 85.5(3) . . ?
N22 Cd18 O89 83.0(3) . . ?
O126 Cd18 O89 98.4(3) . . ?
O43 Cd18 O89 159.9(2) . . ?
O85 Cd18 O89 85.3(3) . . ?
O121 Cd19 N18 157.2(4) . . ?
O121 Cd19 O35 75.1(3) . . ?
N18 Cd19 O35 82.8(4) . . ?
O121 Cd19 O39 99.9(3) . . ?
N18 Cd19 O39 96.3(4) . . ?
O35 Cd19 O39 150.5(3) . . ?
O121 Cd19 O118 90.6(3) . . ?
N18 Cd19 O118 109.5(3) . . ?
O35 Cd19 O118 134.9(3) . . ?
O39 Cd19 O118 73.2(3) . . ?
O121 Cd19 O40 88.2(3) . . ?
N18 Cd19 O40 84.3(4) . . ?
O35 Cd19 O40 85.6(3) . . ?
O39 Cd19 O40 65.0(3) . . ?
O118 Cd19 O40 137.3(3) . . ?
O121 Cd19 Nd5 81.1(3) . . ?
N18 Cd19 Nd5 121.2(4) . . ?
O35 Cd19 Nd5 156.0(3) . . ?
O39 Cd19 Nd5 38.2(2) . . ?
O118 Cd19 Nd5 40.6(3) . . ?
O40 Cd19 Nd5 97.3(2) . . ?
O35 Cd20 O114 143.2(3) . . ?
O35 Cd20 O121 75.4(3) . . ?
O114 Cd20 O121 118.6(4) . . ?
O35 Cd20 O120 102.7(4) . . ?
O114 Cd20 O120 97.7(5) . . ?
O121 Cd20 O120 121.2(5) . . ?
O35 Cd20 O119 130.1(4) . . ?
O114 Cd20 O119 86.5(5) . . ?
O121 Cd20 O119 82.0(5) . . ?
O120 Cd20 O119 54.1(6) . . ?
O35 Cd20 O113 94.7(3) . . ?
O114 Cd20 O113 54.9(4) . . ?
O121 Cd20 O113 88.7(4) . . ?
O120 Cd20 O113 148.3(5) . . ?
O119 Cd20 O113 128.9(5) . . ?
O35 Cd20 O36 67.0(4) . . ?
O114 Cd20 O36 88.9(3) . . ?
O121 Cd20 O36 141.5(3) . . ?
O120 Cd20 O36 76.4(5) . . ?
O119 Cd20 O36 129.0(4) . . ?
O113 Cd20 O36 86.5(3) . . ?
O35 Cd20 C318 117.4(5) . . ?
O114 Cd20 C318 94.4(5) . . ?
O121 Cd20 C318 100.3(7) . . ?
O120 Cd20 C318 27.7(7) . . ?
O119 Cd20 C318 26.6(8) . . ?
O113 Cd20 C318 147.9(6) . . ?
O36 Cd20 C318 103.8(8) . . ?
O35 Cd20 C316 120.8(4) . . ?
O114 Cd20 C316 26.9(4) . . ?
O121 Cd20 C316 104.3(5) . . ?
O120 Cd20 C316 123.5(6) . . ?
O119 Cd20 C316 107.5(6) . . ?
O113 Cd20 C316 28.0(4) . . ?
O36 Cd20 C316 88.5(4) . . ?
C318 Cd20 C316 120.6(6) . . ?
N16 Cd21 O115 95.9(3) . . ?
N16 Cd21 O112 158.1(3) . . ?
O115 Cd21 O112 101.3(4) . . ?
N16 Cd21 O117 84.6(3) . . ?
O115 Cd21 O117 89.3(3) . . ?
O112 Cd21 O117 82.2(3) . . ?
N16 Cd21 O31 79.3(4) . . ?
O115 Cd21 O31 94.9(3) . . ?
O112 Cd21 O31 112.2(3) . . ?
O117 Cd21 O31 163.7(3) . . ?
N16 Cd21 O113 85.5(3) . . ?
O115 Cd21 O113 178.5(4) . . ?
O112 Cd21 O113 77.1(4) . . ?
O117 Cd21 O113 90.3(3) . . ?
O31 Cd21 O113 85.9(3) . . ?
N16 Cd21 Nd6 109.2(3) . . ?
O115 Cd21 Nd6 73.7(2) . . ?
O112 Cd21 Nd6 88.8(3) . . ?
O117 Cd21 Nd6 158.8(2) . . ?
O31 Cd21 Nd6 35.3(2) . . ?
O113 Cd21 Nd6 106.3(3) . . ?
O23 Cd22 N12 84.1(4) . . ?
O23 Cd22 O27 151.8(3) . . ?
N12 Cd22 O27 94.9(4) . . ?
O23 Cd22 O107 132.3(3) . . ?
N12 Cd22 O107 111.5(3) . . ?
O27 Cd22 O107 74.2(3) . . ?
O23 Cd22 O109 76.1(3) . . ?
N12 Cd22 O109 158.8(3) . . ?
O27 Cd22 O109 99.2(3) . . ?
O107 Cd22 O109 87.7(3) . . ?
O23 Cd22 O28 87.3(3) . . ?
N12 Cd22 O28 81.9(4) . . ?
O27 Cd22 O28 64.8(3) . . ?
O107 Cd22 O28 138.0(3) . . ?
O109 Cd22 O28 89.8(2) . . ?
O23 Cd22 Nd6 156.3(3) . . ?
N12 Cd22 Nd6 119.6(3) . . ?
O27 Cd22 Nd6 37.8(2) . . ?
O107 Cd22 Nd6 40.8(3) . . ?
O109 Cd22 Nd6 80.7(3) . . ?
O28 Cd22 Nd6 97.4(2) . . ?
O106 Cd23 O23 129.3(6) . . ?
O106 Cd23 O109 127.5(6) . . ?
O23 Cd23 O109 75.2(3) . . ?
O106 Cd23 O104 68.1(7) . . ?
O23 Cd23 O104 148.8(4) . . ?
O109 Cd23 O104 117.1(5) . . ?
O106 Cd23 O103 120.6(6) . . ?
O23 Cd23 O103 96.4(3) . . ?
O109 Cd23 O103 95.8(4) . . ?
O104 Cd23 O103 55.6(5) . . ?
O106 Cd23 O24 78.1(5) . . ?
O23 Cd23 O24 66.2(4) . . ?
O109 Cd23 O24 141.1(3) . . ?
O104 Cd23 O24 98.8(4) . . ?
O103 Cd23 O24 92.5(3) . . ?
O106 Cd23 C306 29.2(5) . . ?
O23 Cd23 C306 114.2(4) . . ?
O109 Cd23 C306 102.3(5) . . ?
O104 Cd23 C306 92.0(6) . . ?
O103 Cd23 C306 147.5(5) . . ?
O24 Cd23 C306 90.1(4) . . ?
O106 Cd23 C304 97.1(8) . . ?
O23 Cd23 C304 122.3(6) . . ?
O109 Cd23 C304 104.8(6) . . ?
O104 Cd23 C304 29.8(6) . . ?
O103 Cd23 C304 26.2(6) . . ?
O24 Cd23 C304 99.2(5) . . ?
C306 Cd23 C304 121.7(7) . . ?
O100 Cd24 N10 172.5(3) . . ?
O100 Cd24 O19 102.8(3) . . ?
N10 Cd24 O19 79.2(4) . . ?
O100 Cd24 O101 90.2(4) . . ?
N10 Cd24 O101 96.8(3) . . ?
O19 Cd24 O101 96.9(3) . . ?
O100 Cd24 O103 86.3(4) . . ?
N10 Cd24 O103 86.6(3) . . ?
O19 Cd24 O103 87.0(3) . . ?
O101 Cd24 O103 175.2(4) . . ?
O100 Cd24 O108 90.2(4) . . ?
N10 Cd24 O108 86.5(3) . . ?
O19 Cd24 O108 162.4(3) . . ?
O101 Cd24 O108 94.9(3) . . ?
O103 Cd24 O108 81.9(4) . . ?
C8 N1 C9 114.7(16) . . ?
C8 N1 Cd4 126.6(13) . . ?
C9 N1 Cd4 118.6(12) . . ?
C15 N2 C14 118.5(13) . . ?
C15 N2 Cd16 125.0(11) . . ?
C14 N2 Cd16 116.2(10) . . ?
C30 N3 C31 118.8(13) . . ?
C30 N3 Cd6 122.5(11) . . ?
C31 N3 Cd6 118.3(9) . . ?
C37 N4 C36 117.5(14) . . ?
C37 N4 Cd15 124.5(12) . . ?
C36 N4 Cd15 117.0(10) . . ?
C52 N5 C53 116.7(14) . . ?
C52 N5 Cd7 123.5(11) . . ?
C53 N5 Cd7 119.7(11) . . ?
C59 N6 C58 117.3(13) . . ?
C59 N6 Cd13 125.7(11) . . ?
C58 N6 Cd13 116.9(10) . . ?
C74 N7 C75 121.8(12) . . ?
C74 N7 Cd9 120.3(10) . . ?
C75 N7 Cd9 117.2(9) . . ?
C81 N8 C80 115.6(15) . . ?
C81 N8 Nd4 125.6(13) . . ?
C80 N8 Nd4 117.5(10) . . ?
C96 N9 C97 115.4(12) . . ?
C96 N9 Nd3 126.9(9) . . ?
C97 N9 Nd3 117.2(8) . . ?
C103 N10 C102 112.2(14) . . ?
C103 N10 Cd24 127.0(12) . . ?
C102 N10 Cd24 120.2(10) . . ?
C118 N11 C119 116.6(14) . . ?
C118 N11 Cd10 122.9(11) . . ?
C119 N11 Cd10 119.3(11) . . ?
C125 N12 C124 118.5(11) . . ?
C125 N12 Cd22 122.9(8) . . ?
C124 N12 Cd22 118.2(7) . . ?
C140 N13 C141 120.8(8) . . ?
C140 N13 Cd12 122.1(7) . . ?
C141 N13 Cd12 116.4(6) . . ?
C147 N14 C146 114.7(9) . . ?
C147 N14 Nd6 127.1(7) . . ?
C146 N14 Nd6 117.7(6) . . ?
C162 N15 C163 114.5(8) . . ?
C162 N15 Nd1 127.9(6) . . ?
C163 N15 Nd1 117.1(6) . . ?
C169 N16 C168 115.6(10) . . ?
C169 N16 Cd21 125.1(8) . . ?
C168 N16 Cd21 118.9(6) . . ?
C184 N17 C185 117.9(11) . . ?
C184 N17 Cd1 123.1(8) . . ?
C185 N17 Cd1 118.7(8) . . ?
C191 N18 C190 118.6(11) . . ?
C191 N18 Cd19 125.5(8) . . ?
C190 N18 Cd19 115.7(8) . . ?
C206 N19 C207 116.9(10) . . ?
C206 N19 Cd3 123.2(8) . . ?
C207 N19 Cd3 119.8(7) . . ?
C213 N20 C212 116.5(9) . . ?
C213 N20 Nd5 125.6(7) . . ?
C212 N20 Nd5 117.5(6) . . ?
C228 N21 C229 112.6(11) . . ?
C228 N21 Nd2 126.7(10) . . ?
C229 N21 Nd2 118.0(6) . . ?
C235 N22 C234 115.8(9) . . ?
C235 N22 Cd18 123.9(8) . . ?
C234 N22 Cd18 120.1(7) . . ?
C2 O1 C1 117.0(17) . . ?
C2 O1 Cd5 108.8(12) . . ?
C1 O1 Cd5 123.2(13) . . ?
C7 O2 Cd4 132.0(14) . . ?
C7 O2 Cd5 120.9(13) . . ?
Cd4 O2 Cd5 102.1(7) . . ?
C21 O3 Cd16 129.4(10) . . ?
C21 O3 Cd17 125.0(10) . . ?
Cd16 O3 Cd17 105.5(4) . . ?
C20 O4 C22 118.3(14) . . ?
C20 O4 Cd17 113.1(10) . . ?
C22 O4 Cd17 124.5(10) . . ?
C24 O5 C23 117.8(12) . . ?
C29 O6 Cd6 130.1(8) . . ?
C29 O6 Cd7 122.4(8) . . ?
Cd6 O6 Cd7 102.6(4) . . ?
C43 O7 Cd15 124.1(9) . . ?
C43 O7 Cd16 130.5(9) . . ?
Cd15 O7 Cd16 104.8(4) . . ?
C42 O8 C44 117.4(11) . . ?
C46 O9 C45 121.6(13) . . ?
C46 O9 Cd8 114.1(10) . . ?
C45 O9 Cd8 121.3(10) . . ?
C51 O10 Cd7 133.9(10) . . ?
C51 O10 Cd8 121.2(9) . . ?
Cd7 O10 Cd8 104.6(4) . . ?
C65 O11 Cd13 130.2(10) . . ?
C65 O11 Cd14 125.7(10) . . ?
Cd13 O11 Cd14 104.1(4) . . ?
C64 O12 C66 117.6(12) . . ?
C64 O12 Cd14 116.3(9) . . ?
C66 O12 Cd14 124.9(8) . . ?
C68 O13 C67 114.7(10) . . ?
C68 O13 Nd3 114.7(8) . . ?
C67 O13 Nd3 130.4(8) . . ?
C73 O14 Nd3 122.6(8) . . ?
C73 O14 Cd9 122.6(8) . . ?
Nd3 O14 Cd9 114.7(4) . . ?
C87 O15 Cd13 120.7(10) . . ?
C87 O15 Nd4 130.9(10) . . ?
Cd13 O15 Nd4 104.8(4) . . ?
C88 O16 C86 119.6(14) . . ?
C88 O16 Cd13 125.9(11) . . ?
C86 O16 Cd13 111.4(10) . . ?
C90 O17 C89 116.2(12) . . ?
C90 O17 Cd10 113.0(8) . . ?
C89 O17 Cd10 126.6(9) . . ?
C95 O18 Nd3 134.4(8) . . ?
C95 O18 Cd10 118.2(8) . . ?
Nd3 O18 Cd10 105.2(4) . . ?
C109 O19 Cd24 124.2(10) . . ?
C109 O19 Nd4 119.2(10) . . ?
Cd24 O19 Nd4 116.5(4) . . ?
C108 O20 C110 117.4(12) . . ?
C108 O20 Nd4 112.0(10) . . ?
C110 O20 Nd4 127.8(9) . . ?
C112 O21 C111 116.7(12) . . ?
C112 O21 Cd11 113.9(8) . . ?
C111 O21 Cd11 119.4(9) . . ?
C117 O22 Cd10 129.8(8) . . ?
C117 O22 Cd11 118.6(8) . . ?
Cd10 O22 Cd11 105.1(3) . . ?
C131 O23 Cd22 129.6(9) . . ?
C131 O23 Cd23 123.8(9) . . ?
Cd22 O23 Cd23 106.1(4) . . ?
C130 O24 C132 118.4(11) . . ?
C130 O24 Cd23 118.2(7) . . ?
C132 O24 Cd23 121.9(9) . . ?
C134 O25 C133 116.7(9) . . ?
C134 O25 Nd1 116.0(6) . . ?
C133 O25 Nd1 127.3(6) . . ?
C139 O26 Nd1 124.1(6) . . ?
C139 O26 Cd12 125.4(6) . . ?
Nd1 O26 Cd12 109.6(3) . . ?
C153 O27 Cd22 122.5(7) . . ?
C153 O27 Nd6 131.9(7) . . ?
Cd22 O27 Nd6 104.8(4) . . ?
C152 O28 C154 114.3(10) . . ?
C152 O28 Cd22 116.9(7) . . ?
C154 O28 Cd22 123.8(7) . . ?
C156 O29 C155 118.7(9) . . ?
C156 O29 Cd1 111.9(6) . . ?
C155 O29 Cd1 124.1(6) . . ?
C161 O30 Nd1 135.4(6) . . ?
C161 O30 Cd1 119.1(6) . . ?
Nd1 O30 Cd1 104.3(3) . . ?
C175 O31 Nd6 128.0(7) . . ?
C175 O31 Cd21 123.1(7) . . ?
Nd6 O31 Cd21 108.8(4) . . ?
C174 O32 C176 118.1(10) . . ?
C174 O32 Nd6 116.0(7) . . ?
C176 O32 Nd6 125.8(7) . . ?
C178 O33 C177 117.1(12) . . ?
C178 O33 Cd2 114.3(8) . . ?
C177 O33 Cd2 120.9(9) . . ?
C183 O34 Cd1 130.8(8) . . ?
C183 O34 Cd2 119.9(8) . . ?
Cd1 O34 Cd2 106.4(4) . . ?
C197 O35 Cd20 126.5(7) . . ?
C197 O35 Cd19 126.4(7) . . ?
Cd20 O35 Cd19 105.7(4) . . ?
C198 O36 C196 114.7(13) . . ?
C198 O36 Cd20 125.3(11) . . ?
C196 O36 Cd20 112.5(7) . . ?
C200 O37 C199 115.9(10) . . ?
C200 O37 Nd2 112.8(7) . . ?
C199 O37 Nd2 130.4(7) . . ?
C205 O38 Cd3 128.2(7) . . ?
C205 O38 Nd2 118.4(7) . . ?
Cd3 O38 Nd2 113.0(4) . . ?
C219 O39 Cd19 119.9(7) . . ?
C219 O39 Nd5 133.7(7) . . ?
Cd19 O39 Nd5 104.2(4) . . ?
C218 O40 C220 118.1(11) . . ?
C218 O40 Cd19 112.6(7) . . ?
C220 O40 Cd19 126.7(8) . . ?
C222 O41 C221 111.2(15) . . ?
C222 O41 Cd4 113.5(9) . . ?
C221 O41 Cd4 127.6(12) . . ?
C227 O42 Cd4 117.3(8) . . ?
C227 O42 Nd2 132.5(9) . . ?
Cd4 O42 Nd2 106.9(4) . . ?
C241 O43 Nd5 124.8(6) . . ?
C241 O43 Cd18 120.5(6) . . ?
Nd5 O43 Cd18 114.3(3) . . ?
C240 O44 C242 118.6(8) . . ?
C240 O44 Nd5 115.6(6) . . ?
C242 O44 Nd5 125.4(6) . . ?
Cd5 O131 H13A 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 121(2) . . ?
O1 C2 C7 112.1(16) . . ?
C3 C2 C7 124(2) . . ?
C4 C3 C2 114(3) . . ?
C4 C3 H3A 122.8 . . ?
C2 C3 H3A 122.8 . . ?
C5 C4 C3 127(3) . . ?
C5 C4 H4A 116.3 . . ?
C3 C4 H4A 116.3 . . ?
C4 C5 C6 116(3) . . ?
C4 C5 H5A 121.8 . . ?
C6 C5 H5A 121.8 . . ?
C7 C6 C5 123.6(18) . . ?
C7 C6 C8 124.1(18) . . ?
C5 C6 C8 112.1(19) . . ?
O2 C7 C6 126.8(18) . . ?
O2 C7 C2 120.0(18) . . ?
C6 C7 C2 113.1(17) . . ?
N1 C8 C6 127.3(18) . . ?
N1 C8 H8A 116.3 . . ?
C6 C8 H8A 116.3 . . ?
C10 C9 N1 108.9(16) . . ?
C10 C9 H9A 109.9 . . ?
N1 C9 H9A 109.9 . . ?
C10 C9 H9B 109.9 . . ?
N1 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C9 C10 C11 118.0(18) . . ?
C9 C10 H10A 107.8 . . ?
C11 C10 H10A 107.8 . . ?
C9 C10 H10B 107.8 . . ?
C11 C10 H10B 107.8 . . ?
H10A C10 H10B 107.2 . . ?
C10 C11 C12 118.0(17) . . ?
C10 C11 H11A 107.8 . . ?
C12 C11 H11A 107.8 . . ?
C10 C11 H11B 107.8 . . ?
C12 C11 H11B 107.8 . . ?
H11A C11 H11B 107.1 . . ?
C13 C12 C11 111.5(16) . . ?
C13 C12 H12A 109.3 . . ?
C11 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 C12 115.1(15) . . ?
C14 C13 H13B 108.5 . . ?
C12 C13 H13B 108.5 . . ?
C14 C13 H13C 108.5 . . ?
C12 C13 H13C 108.5 . . ?
H13B C13 H13C 107.5 . . ?
C13 C14 N2 110.4(13) . . ?
C13 C14 H14A 109.6 . . ?
N2 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
N2 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
N2 C15 C16 125.9(15) . . ?
N2 C15 H15A 117.1 . . ?
C16 C15 H15A 117.1 . . ?
C21 C16 C15 129.8(17) . . ?
C21 C16 C17 117.9(17) . . ?
C15 C16 C17 112.3(16) . . ?
C18 C17 C16 122.4(18) . . ?
C18 C17 H17A 118.8 . . ?
C16 C17 H17A 118.8 . . ?
C17 C18 C19 116(2) . . ?
C17 C18 H18A 122.1 . . ?
C19 C18 H18A 122.1 . . ?
C20 C19 C18 122.0(19) . . ?
C20 C19 H19A 119.0 . . ?
C18 C19 H19A 119.0 . . ?
C19 C20 O4 121.0(16) . . ?
C19 C20 C21 121.1(17) . . ?
O4 C20 C21 117.9(15) . . ?
O3 C21 C16 124.9(16) . . ?
O3 C21 C20 114.3(15) . . ?
C16 C21 C20 120.8(17) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 O5 125.3(15) . . ?
C25 C24 C29 122.6(16) . . ?
O5 C24 C29 112.0(13) . . ?
C24 C25 C26 116.9(17) . . ?
C24 C25 H25A 121.5 . . ?
C26 C25 H25A 121.5 . . ?
C27 C26 C25 122.6(17) . . ?
C27 C26 H26A 118.7 . . ?
C25 C26 H26A 118.7 . . ?
C26 C27 C28 118.7(17) . . ?
C26 C27 H27A 120.7 . . ?
C28 C27 H27A 120.7 . . ?
C29 C28 C27 121.3(15) . . ?
C29 C28 C30 122.8(14) . . ?
C27 C28 C30 115.2(14) . . ?
O6 C29 C28 123.0(13) . . ?
O6 C29 C24 119.6(13) . . ?
C28 C29 C24 117.4(14) . . ?
N3 C30 C28 131.6(15) . . ?
N3 C30 H30A 114.2 . . ?
C28 C30 H30A 114.2 . . ?
N3 C31 C32 103.2(12) . . ?
N3 C31 H31A 111.1 . . ?
C32 C31 H31A 111.1 . . ?
N3 C31 H31B 111.1 . . ?
C32 C31 H31B 111.1 . . ?
H31A C31 H31B 109.1 . . ?
C33 C32 C31 107.9(15) . . ?
C33 C32 H32O 110.1 . . ?
C31 C32 H32O 110.1 . . ?
C33 C32 H32A 110.1 . . ?
C31 C32 H32A 110.1 . . ?
H32O C32 H32A 108.4 . . ?
C34 C33 C32 145(2) . . ?
C34 C33 H33A 100.5 . . ?
C32 C33 H33A 100.5 . . ?
C34 C33 H33B 100.5 . . ?
C32 C33 H33B 100.5 . . ?
H33A C33 H33B 104.3 . . ?
C33 C34 C35 103.7(17) . . ?
C33 C34 H34C 111.0 . . ?
C35 C34 H34C 111.0 . . ?
C33 C34 H34D 111.0 . . ?
C35 C34 H34D 111.0 . . ?
H34C C34 H34D 109.0 . . ?
C36 C35 C34 143.2(17) . . ?
C36 C35 H35A 101.1 . . ?
C34 C35 H35A 101.1 . . ?
C36 C35 H35B 101.1 . . ?
C34 C35 H35B 101.1 . . ?
H35A C35 H35B 104.5 . . ?
C35 C36 N4 109.6(14) . . ?
C35 C36 H36A 109.8 . . ?
N4 C36 H36A 109.8 . . ?
C35 C36 H36B 109.8 . . ?
N4 C36 H36B 109.8 . . ?
H36A C36 H36B 108.2 . . ?
N4 C37 C38 128.7(16) . . ?
N4 C37 H37A 115.7 . . ?
C38 C37 H37A 115.7 . . ?
C43 C38 C39 122.4(17) . . ?
C43 C38 C37 120.5(15) . . ?
C39 C38 C37 117.0(15) . . ?
C40 C39 C38 117.6(18) . . ?
C40 C39 H39A 121.2 . . ?
C38 C39 H39A 121.2 . . ?
C39 C40 C41 125.2(18) . . ?
C39 C40 H40A 117.4 . . ?
C41 C40 H40A 117.4 . . ?
C40 C41 C42 115.8(17) . . ?
C40 C41 H41A 122.1 . . ?
C42 C41 H41A 122.1 . . ?
O8 C42 C41 124.1(15) . . ?
O8 C42 C43 113.4(13) . . ?
C41 C42 C43 122.3(16) . . ?
O7 C43 C38 125.1(15) . . ?
O7 C43 C42 118.0(14) . . ?
C38 C43 C42 116.1(15) . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O9 C45 H45A 109.5 . . ?
O9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C51 C46 O9 115.1(15) . . ?
C51 C46 C47 119.8(17) . . ?
O9 C46 C47 124.8(16) . . ?
C48 C47 C46 119(2) . . ?
C48 C47 H47A 120.3 . . ?
C46 C47 H47A 120.3 . . ?
C47 C48 C49 125(2) . . ?
C47 C48 H48A 117.6 . . ?
C49 C48 H48A 117.6 . . ?
C48 C49 C50 120.0(19) . . ?
C48 C49 H49A 120.0 . . ?
C50 C49 H49A 120.0 . . ?
C52 C50 C49 116.9(16) . . ?
C52 C50 C51 123.8(16) . . ?
C49 C50 C51 119.3(17) . . ?
O10 C51 C46 121.2(15) . . ?
O10 C51 C50 122.2(15) . . ?
C46 C51 C50 116.6(16) . . ?
N5 C52 C50 131.4(16) . . ?
N5 C52 H52A 114.3 . . ?
C50 C52 H52A 114.3 . . ?
N5 C53 C54 110.1(15) . . ?
N5 C53 H53B 109.6 . . ?
C54 C53 H53B 109.6 . . ?
N5 C53 H53A 109.6 . . ?
C54 C53 H53A 109.6 . . ?
H53B C53 H53A 108.1 . . ?
C53 C54 C55 119.9(16) . . ?
C53 C54 H54B 107.3 . . ?
C55 C54 H54B 107.3 . . ?
C53 C54 H54A 107.3 . . ?
C55 C54 H54A 107.3 . . ?
H54B C54 H54A 106.9 . . ?
C56 C55 C54 111.4(17) . . ?
C56 C55 H55A 109.4 . . ?
C54 C55 H55A 109.4 . . ?
C56 C55 H55B 109.4 . . ?
C54 C55 H55B 109.4 . . ?
H55A C55 H55B 108.0 . . ?
C55 C56 C57 122(2) . . ?
C55 C56 H56B 106.8 . . ?
C57 C56 H56B 106.8 . . ?
C55 C56 H56A 106.8 . . ?
C57 C56 H56A 106.8 . . ?
H56B C56 H56A 106.6 . . ?
C58 C57 C56 109.5(17) . . ?
C58 C57 H57A 109.8 . . ?
C56 C57 H57A 109.8 . . ?
C58 C57 H57B 109.8 . . ?
C56 C57 H57B 109.8 . . ?
H57A C57 H57B 108.2 . . ?
N6 C58 C57 110.0(14) . . ?
N6 C58 H58A 109.7 . . ?
C57 C58 H58A 109.7 . . ?
N6 C58 H58B 109.7 . . ?
C57 C58 H58B 109.7 . . ?
H58A C58 H58B 108.2 . . ?
N6 C59 C60 131.7(14) . . ?
N6 C59 H59A 114.1 . . ?
C60 C59 H59A 114.1 . . ?
C61 C60 C65 120.3(15) . . ?
C61 C60 C59 117.0(14) . . ?
C65 C60 C59 122.7(14) . . ?
C60 C61 C62 121.3(16) . . ?
C60 C61 H61A 119.4 . . ?
C62 C61 H61A 119.4 . . ?
C63 C62 C61 117.1(17) . . ?
C63 C62 H62A 121.4 . . ?
C61 C62 H62A 121.4 . . ?
C64 C63 C62 122.1(17) . . ?
C64 C63 H63A 118.9 . . ?
C62 C63 H63A 118.9 . . ?
C63 C64 O12 124.9(15) . . ?
C63 C64 C65 122.7(15) . . ?
O12 C64 C65 112.4(13) . . ?
O11 C65 C60 125.9(15) . . ?
O11 C65 C64 117.8(14) . . ?
C60 C65 C64 116.3(14) . . ?
O12 C66 H66A 109.5 . . ?
O12 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
O12 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O13 C67 H67A 109.5 . . ?
O13 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
O13 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C69 C68 C73 122.9(14) . . ?
C69 C68 O13 124.6(13) . . ?
C73 C68 O13 112.5(12) . . ?
C68 C69 C70 121.8(16) . . ?
C68 C69 H69A 119.1 . . ?
C70 C69 H69A 119.1 . . ?
C69 C70 C71 117.0(16) . . ?
C69 C70 H70A 121.5 . . ?
C71 C70 H70A 121.5 . . ?
C70 C71 C72 120.7(16) . . ?
C70 C71 H71A 119.6 . . ?
C72 C71 H71A 119.6 . . ?
C73 C72 C71 117.7(15) . . ?
C73 C72 C74 126.6(14) . . ?
C71 C72 C74 115.5(14) . . ?
O14 C73 C68 118.3(13) . . ?
O14 C73 C72 122.4(13) . . ?
C68 C73 C72 119.2(14) . . ?
N7 C74 C72 131.0(14) . . ?
N7 C74 H74A 114.5 . . ?
C72 C74 H74A 114.5 . . ?
N7 C75 C76 111.4(12) . . ?
N7 C75 H75A 109.3 . . ?
C76 C75 H75A 109.3 . . ?
N7 C75 H75B 109.3 . . ?
C76 C75 H75B 109.3 . . ?
H75A C75 H75B 108.0 . . ?
C75 C76 C77 114.0(13) . . ?
C75 C76 H76A 108.7 . . ?
C77 C76 H76A 108.7 . . ?
C75 C76 H76B 108.7 . . ?
C77 C76 H76B 108.7 . . ?
H76A C76 H76B 107.6 . . ?
C78 C77 C76 115.0(13) . . ?
C78 C77 H77A 108.5 . . ?
C76 C77 H77A 108.5 . . ?
C78 C77 H77B 108.5 . . ?
C76 C77 H77B 108.5 . . ?
H77A C77 H77B 107.5 . . ?
C77 C78 C79 112.5(13) . . ?
C77 C78 H78A 109.1 . . ?
C79 C78 H78A 109.1 . . ?
C77 C78 H78B 109.1 . . ?
C79 C78 H78B 109.1 . . ?
H78A C78 H78B 107.8 . . ?
C80 C79 C78 109.9(14) . . ?
C80 C79 H79A 109.7 . . ?
C78 C79 H79A 109.7 . . ?
C80 C79 H79B 109.7 . . ?
C78 C79 H79B 109.7 . . ?
H79A C79 H79B 108.2 . . ?
C79 C80 N8 107.4(14) . . ?
C79 C80 H80A 110.2 . . ?
N8 C80 H80A 110.2 . . ?
C79 C80 H80B 110.2 . . ?
N8 C80 H80B 110.2 . . ?
H80A C80 H80B 108.5 . . ?
N8 C81 C82 127.5(19) . . ?
N8 C81 H81A 116.2 . . ?
C82 C81 H81A 116.2 . . ?
C87 C82 C83 117.3(19) . . ?
C87 C82 C81 126.0(17) . . ?
C83 C82 C81 116(2) . . ?
C82 C83 C84 122(2) . . ?
C82 C83 H83A 119.2 . . ?
C84 C83 H83A 119.2 . . ?
C85 C84 C83 114(3) . . ?
C85 C84 H84A 122.8 . . ?
C83 C84 H84A 122.8 . . ?
C86 C85 C84 122(2) . . ?
C86 C85 H85A 119.0 . . ?
C84 C85 H85A 119.0 . . ?
C87 C86 C85 123(2) . . ?
C87 C86 O16 117.6(17) . . ?
C85 C86 O16 119.0(19) . . ?
C86 C87 O15 120.9(17) . . ?
C86 C87 C82 120.5(18) . . ?
O15 C87 C82 118.6(16) . . ?
O16 C88 H88A 109.5 . . ?
O16 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
O16 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O17 C89 H89A 109.5 . . ?
O17 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
O17 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
O17 C90 C91 123.6(14) . . ?
O17 C90 C95 116.3(13) . . ?
C91 C90 C95 120.1(14) . . ?
C92 C91 C90 120.8(15) . . ?
C92 C91 H91A 119.6 . . ?
C90 C91 H91A 119.6 . . ?
C91 C92 C93 119.1(16) . . ?
C91 C92 H92A 120.5 . . ?
C93 C92 H92A 120.5 . . ?
C94 C93 C92 120.5(15) . . ?
C94 C93 H93A 119.7 . . ?
C92 C93 H93A 119.7 . . ?
C95 C94 C96 126.8(14) . . ?
C95 C94 C93 117.4(14) . . ?
C96 C94 C93 115.8(14) . . ?
C94 C95 O18 118.8(13) . . ?
C94 C95 C90 122.0(15) . . ?
O18 C95 C90 119.2(13) . . ?
N9 C96 C94 127.6(14) . . ?
N9 C96 H96A 116.2 . . ?
C94 C96 H96A 116.2 . . ?
N9 C97 C98 113.1(11) . . ?
N9 C97 H97A 109.0 . . ?
C98 C97 H97A 109.0 . . ?
N9 C97 H97B 109.0 . . ?
C98 C97 H97B 109.0 . . ?
H97A C97 H97B 107.8 . . ?
C99 C98 C97 111.3(12) . . ?
C99 C98 H98A 109.4 . . ?
C97 C98 H98A 109.4 . . ?
C99 C98 H98B 109.4 . . ?
C97 C98 H98B 109.4 . . ?
H98A C98 H98B 108.0 . . ?
C100 C99 C98 111.9(12) . . ?
C100 C99 H99A 109.2 . . ?
C98 C99 H99A 109.2 . . ?
C100 C99 H99B 109.2 . . ?
C98 C99 H99B 109.2 . . ?
H99A C99 H99B 107.9 . . ?
C99 C100 C101 115.9(13) . . ?
C99 C100 H10C 108.3 . . ?
C101 C100 H10C 108.3 . . ?
C99 C100 H10D 108.3 . . ?
C101 C100 H10D 108.3 . . ?
H10C C100 H10D 107.4 . . ?
C102 C101 C100 110.1(13) . . ?
C102 C101 H10E 109.6 . . ?
C100 C101 H10E 109.6 . . ?
C102 C101 H10F 109.6 . . ?
C100 C101 H10F 109.6 . . ?
H10E C101 H10F 108.1 . . ?
C101 C102 N10 109.1(12) . . ?
C101 C102 H10G 109.9 . . ?
N10 C102 H10G 109.9 . . ?
C101 C102 H10H 109.9 . . ?
N10 C102 H10H 109.9 . . ?
H10G C102 H10H 108.3 . . ?
N10 C103 C104 125.1(18) . . ?
N10 C103 H10I 117.4 . . ?
C104 C103 H10I 117.4 . . ?
C103 C104 C109 129.7(19) . . ?
C103 C104 C105 109.7(19) . . ?
C109 C104 C105 119(2) . . ?
C106 C105 C104 117(2) . . ?
C106 C105 H10J 121.6 . . ?
C104 C105 H10J 121.6 . . ?
C105 C106 C107 121(3) . . ?
C105 C106 H10K 119.5 . . ?
C107 C106 H10K 119.5 . . ?
C108 C107 C106 112(2) . . ?
C108 C107 H10L 124.0 . . ?
C106 C107 H10L 124.0 . . ?
C107 C108 C109 129.3(17) . . ?
C107 C108 O20 122.8(16) . . ?
C109 C108 O20 107.3(15) . . ?
O19 C109 C108 123.2(15) . . ?
O19 C109 C104 119.9(16) . . ?
C108 C109 C104 114.7(17) . . ?
O20 C110 H11C 109.5 . . ?
O20 C110 H11D 109.5 . . ?
H11C C110 H11D 109.5 . . ?
O20 C110 H11E 109.5 . . ?
H11C C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
O21 C111 H11F 109.5 . . ?
O21 C111 H11G 109.5 . . ?
H11F C111 H11G 109.5 . . ?
O21 C111 H11H 109.5 . . ?
H11F C111 H11H 109.5 . . ?
H11G C111 H11H 109.5 . . ?
O21 C112 C113 128.1(15) . . ?
O21 C112 C117 114.1(13) . . ?
C113 C112 C117 117.5(16) . . ?
C114 C113 C112 120.1(19) . . ?
C114 C113 H11I 119.9 . . ?
C112 C113 H11I 119.9 . . ?
C115 C114 C113 125(2) . . ?
C115 C114 H11J 117.5 . . ?
C113 C114 H11J 117.5 . . ?
C114 C115 C116 117(2) . . ?
C114 C115 H11K 121.3 . . ?
C116 C115 H11K 121.3 . . ?
C117 C116 C115 121.9(17) . . ?
C117 C116 C118 125.3(15) . . ?
C115 C116 C118 112.7(15) . . ?
O22 C117 C116 123.9(13) . . ?
O22 C117 C112 118.5(13) . . ?
C116 C117 C112 117.5(15) . . ?
N11 C118 C116 130.8(15) . . ?
N11 C118 H11L 114.6 . . ?
C116 C118 H11L 114.6 . . ?
N11 C119 C120 111.2(14) . . ?
N11 C119 H11M 109.4 . . ?
C120 C119 H11M 109.4 . . ?
N11 C119 H11N 109.4 . . ?
C120 C119 H11N 109.4 . . ?
H11M C119 H11N 108.0 . . ?
C119 C120 C121 108.3(12) . . ?
C119 C120 H12C 110.0 . . ?
C121 C120 H12C 110.0 . . ?
C119 C120 H12D 110.0 . . ?
C121 C120 H12D 110.0 . . ?
H12C C120 H12D 108.4 . . ?
C122 C121 C120 107.9(13) . . ?
C122 C121 H12E 110.1 . . ?
C120 C121 H12E 110.1 . . ?
C122 C121 H12F 110.1 . . ?
C120 C121 H12F 110.1 . . ?
H12E C121 H12F 108.4 . . ?
C121 C122 C123 108.9(15) . . ?
C121 C122 H12G 109.9 . . ?
C123 C122 H12G 109.9 . . ?
C121 C122 H12H 109.9 . . ?
C123 C122 H12H 109.9 . . ?
H12G C122 H12H 108.3 . . ?
C124 C123 C122 118.7(16) . . ?
C124 C123 H12I 107.6 . . ?
C122 C123 H12I 107.6 . . ?
C124 C123 H12J 107.6 . . ?
C122 C123 H12J 107.6 . . ?
H12I C123 H12J 107.1 . . ?
N12 C124 C123 110.7(13) . . ?
N12 C124 H12K 109.5 . . ?
C123 C124 H12K 109.5 . . ?
N12 C124 H12L 109.5 . . ?
C123 C124 H12L 109.5 . . ?
H12K C124 H12L 108.1 . . ?
N12 C125 C126 132.9(16) . . ?
N12 C125 H12M 113.5 . . ?
C126 C125 H12M 113.5 . . ?
C127 C126 C131 119.5(17) . . ?
C127 C126 C125 116.1(16) . . ?
C131 C126 C125 124.3(16) . . ?
C128 C127 C126 120.6(19) . . ?
C128 C127 H12N 119.7 . . ?
C126 C127 H12N 119.7 . . ?
C127 C128 C129 127(2) . . ?
C127 C128 H12O 116.5 . . ?
C129 C128 H12O 116.5 . . ?
C128 C129 C130 110.1(19) . . ?
C128 C129 H12P 125.0 . . ?
C130 C129 H12P 125.0 . . ?
O24 C130 C131 113.0(15) . . ?
O24 C130 C129 122.5(16) . . ?
C131 C130 C129 124.5(17) . . ?
O23 C131 C126 125.3(16) . . ?
O23 C131 C130 117.6(16) . . ?
C126 C131 C130 117.1(16) . . ?
O24 C132 H13D 109.5 . . ?
O24 C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
O24 C132 H13F 109.5 . . ?
H13D C132 H13F 109.5 . . ?
H13E C132 H13F 109.5 . . ?
O25 C133 H13G 109.5 . . ?
O25 C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
O25 C133 H13I 109.5 . . ?
H13G C133 H13I 109.5 . . ?
H13H C133 H13I 109.5 . . ?
C139 C134 O25 114.8(12) . . ?
C139 C134 C135 124.7(14) . . ?
O25 C134 C135 120.4(13) . . ?
C136 C135 C134 116.0(15) . . ?
C136 C135 H13J 122.0 . . ?
C134 C135 H13J 122.0 . . ?
C135 C136 C137 122.0(17) . . ?
C135 C136 H13K 119.0 . . ?
C137 C136 H13K 119.0 . . ?
C136 C137 C138 118.3(16) . . ?
C136 C137 H13L 120.9 . . ?
C138 C137 H13L 120.9 . . ?
C139 C138 C140 125.1(13) . . ?
C139 C138 C137 119.5(14) . . ?
C140 C138 C137 115.1(14) . . ?
O26 C139 C134 119.4(12) . . ?
O26 C139 C138 121.2(11) . . ?
C134 C139 C138 119.3(12) . . ?
N13 C140 C138 130.6(13) . . ?
N13 C140 H14C 114.7 . . ?
C138 C140 H14C 114.7 . . ?
C142 C141 N13 111.5(11) . . ?
C142 C141 H14D 109.3 . . ?
N13 C141 H14D 109.3 . . ?
C142 C141 H14E 109.3 . . ?
N13 C141 H14E 109.3 . . ?
H14D C141 H14E 108.0 . . ?
C141 C142 C143 110.1(12) . . ?
C141 C142 H14F 109.6 . . ?
C143 C142 H14F 109.6 . . ?
C141 C142 H14G 109.6 . . ?
C143 C142 H14G 109.6 . . ?
H14F C142 H14G 108.1 . . ?
C144 C143 C142 114.3(12) . . ?
C144 C143 H14H 108.7 . . ?
C142 C143 H14H 108.7 . . ?
C144 C143 H14I 108.7 . . ?
C142 C143 H14I 108.7 . . ?
H14H C143 H14I 107.6 . . ?
C143 C144 C145 111.1(12) . . ?
C143 C144 H14J 109.4 . . ?
C145 C144 H14J 109.4 . . ?
C143 C144 H14K 109.4 . . ?
C145 C144 H14K 109.4 . . ?
H14J C144 H14K 108.0 . . ?
C144 C145 C146 110.8(12) . . ?
C144 C145 H14L 109.5 . . ?
C146 C145 H14L 109.5 . . ?
C144 C145 H14M 109.5 . . ?
C146 C145 H14M 109.5 . . ?
H14L C145 H14M 108.1 . . ?
N14 C146 C145 106.6(11) . . ?
N14 C146 H14N 110.4 . . ?
C145 C146 H14N 110.4 . . ?
N14 C146 H14O 110.4 . . ?
C145 C146 H14O 110.4 . . ?
H14N C146 H14O 108.6 . . ?
N14 C147 C148 126.4(14) . . ?
N14 C147 H14P 116.8 . . ?
C148 C147 H14P 116.8 . . ?
C153 C148 C149 123.4(15) . . ?
C153 C148 C147 122.6(15) . . ?
C149 C148 C147 114.0(16) . . ?
C148 C149 C150 118.1(18) . . ?
C148 C149 H14Q 121.0 . . ?
C150 C149 H14Q 121.0 . . ?
C151 C150 C149 120.9(19) . . ?
C151 C150 H15B 119.6 . . ?
C149 C150 H15B 119.6 . . ?
C150 C151 C152 122.5(19) . . ?
C150 C151 H15C 118.8 . . ?
C152 C151 H15C 118.8 . . ?
O28 C152 C151 128.6(16) . . ?
O28 C152 C153 111.7(13) . . ?
C151 C152 C153 119.6(16) . . ?
O27 C153 C148 128.1(14) . . ?
O27 C153 C152 116.4(14) . . ?
C148 C153 C152 115.4(14) . . ?
O28 C154 H15D 109.5 . . ?
O28 C154 H15E 109.5 . . ?
H15D C154 H15E 109.5 . . ?
O28 C154 H15F 109.5 . . ?
H15D C154 H15F 109.5 . . ?
H15E C154 H15F 109.5 . . ?
O29 C155 H15G 109.5 . . ?
O29 C155 H15H 109.5 . . ?
H15G C155 H15H 109.5 . . ?
O29 C155 H15I 109.5 . . ?
H15G C155 H15I 109.5 . . ?
H15H C155 H15I 109.5 . . ?
O29 C156 C157 123.4(13) . . ?
O29 C156 C161 117.7(12) . . ?
C157 C156 C161 118.9(14) . . ?
C158 C157 C156 117.6(15) . . ?
C158 C157 H15J 121.2 . . ?
C156 C157 H15J 121.2 . . ?
C159 C158 C157 123.7(16) . . ?
C159 C158 H15K 118.2 . . ?
C157 C158 H15K 118.2 . . ?
C158 C159 C160 122.5(17) . . ?
C158 C159 H15L 118.7 . . ?
C160 C159 H15L 118.7 . . ?
C161 C160 C162 127.6(13) . . ?
C161 C160 C159 115.1(14) . . ?
C162 C160 C159 117.2(13) . . ?
O30 C161 C160 120.8(12) . . ?
O30 C161 C156 117.0(12) . . ?
C160 C161 C156 122.2(13) . . ?
N15 C162 C160 125.3(12) . . ?
N15 C162 H16A 117.4 . . ?
C160 C162 H16A 117.4 . . ?
N15 C163 C164 109.5(10) . . ?
N15 C163 H16B 109.8 . . ?
C164 C163 H16B 109.8 . . ?
N15 C163 H16C 109.8 . . ?
C164 C163 H16C 109.8 . . ?
H16B C163 H16C 108.2 . . ?
C165 C164 C163 112.5(11) . . ?
C165 C164 H16D 109.1 . . ?
C163 C164 H16D 109.1 . . ?
C165 C164 H16E 109.1 . . ?
C163 C164 H16E 109.1 . . ?
H16D C164 H16E 107.8 . . ?
C164 C165 C166 110.3(11) . . ?
C164 C165 H16F 109.6 . . ?
C166 C165 H16F 109.6 . . ?
C164 C165 H16G 109.6 . . ?
C166 C165 H16G 109.6 . . ?
H16F C165 H16G 108.1 . . ?
C167 C166 C165 113.6(12) . . ?
C167 C166 H16H 108.8 . . ?
C165 C166 H16H 108.8 . . ?
C167 C166 H16I 108.8 . . ?
C165 C166 H16I 108.8 . . ?
H16H C166 H16I 107.7 . . ?
C166 C167 C168 109.4(12) . . ?
C166 C167 H16J 109.8 . . ?
C168 C167 H16J 109.8 . . ?
C166 C167 H16K 109.8 . . ?
C168 C167 H16K 109.8 . . ?
H16J C167 H16K 108.2 . . ?
N16 C168 C167 108.4(11) . . ?
N16 C168 H16L 110.0 . . ?
C167 C168 H16L 110.0 . . ?
N16 C168 H16M 110.0 . . ?
C167 C168 H16M 110.0 . . ?
H16L C168 H16M 108.4 . . ?
N16 C169 C170 126.4(15) . . ?
N16 C169 H16N 116.8 . . ?
C170 C169 H16N 116.8 . . ?
C175 C170 C171 119.7(18) . . ?
C175 C170 C169 127.1(16) . . ?
C171 C170 C169 112.5(18) . . ?
C172 C171 C170 121(2) . . ?
C172 C171 H17B 119.4 . . ?
C170 C171 H17B 119.4 . . ?
C171 C172 C173 119(2) . . ?
C171 C172 H17C 120.5 . . ?
C173 C172 H17C 120.5 . . ?
C174 C173 C172 119(2) . . ?
C174 C173 H17E 120.3 . . ?
C172 C173 H17E 120.3 . . ?
O32 C174 C173 125.0(16) . . ?
O32 C174 C175 115.3(14) . . ?
C173 C174 C175 119.7(17) . . ?
C170 C175 O31 126.1(14) . . ?
C170 C175 C174 120.8(16) . . ?
O31 C175 C174 113.1(14) . . ?
O32 C176 H17F 109.5 . . ?
O32 C176 H17G 109.5 . . ?
H17F C176 H17G 109.5 . . ?
O32 C176 H17H 109.5 . . ?
H17F C176 H17H 109.5 . . ?
H17G C176 H17H 109.5 . . ?
O33 C177 H17I 109.5 . . ?
O33 C177 H17J 109.5 . . ?
H17I C177 H17J 109.5 . . ?
O33 C177 H17K 109.5 . . ?
H17I C177 H17K 109.5 . . ?
H17J C177 H17K 109.5 . . ?
C183 C178 O33 115.7(16) . . ?
C183 C178 C179 124.4(17) . . ?
O33 C178 C179 120.0(17) . . ?
C180 C179 C178 114.7(19) . . ?
C180 C179 H17L 122.6 . . ?
C178 C179 H17L 122.6 . . ?
C181 C180 C179 123(2) . . ?
C181 C180 H18B 118.4 . . ?
C179 C180 H18B 118.4 . . ?
C180 C181 C182 121.0(18) . . ?
C180 C181 H18C 119.5 . . ?
C182 C181 H18C 119.5 . . ?
C184 C182 C183 126.4(16) . . ?
C184 C182 C181 117.4(16) . . ?
C183 C182 C181 115.8(16) . . ?
O34 C183 C178 117.0(15) . . ?
O34 C183 C182 122.3(15) . . ?
C178 C183 C182 120.7(16) . . ?
N17 C184 C182 131.9(15) . . ?
N17 C184 H18D 114.1 . . ?
C182 C184 H18D 114.1 . . ?
N17 C185 C186 108.0(14) . . ?
N17 C185 H18E 110.1 . . ?
C186 C185 H18E 110.1 . . ?
N17 C185 H18F 110.1 . . ?
C186 C185 H18F 110.1 . . ?
H18E C185 H18F 108.4 . . ?
C185 C186 C187 104.0(18) . . ?
C185 C186 H18G 110.9 . . ?
C187 C186 H18G 111.1 . . ?
C185 C186 H18H 110.9 . . ?
C187 C186 H18H 110.9 . . ?
H18G C186 H18H 109.0 . . ?
C188 C187 C186 114(2) . . ?
C188 C187 H18I 108.5 . . ?
C186 C187 H18I 108.5 . . ?
C188 C187 H18J 108.9 . . ?
C186 C187 H18J 108.8 . . ?
H18I C187 H18J 107.6 . . ?
C187 C188 C189 116(2) . . ?
C187 C188 H18K 108.5 . . ?
C189 C188 H18K 108.4 . . ?
C187 C188 H18L 108.0 . . ?
C189 C188 H18L 108.1 . . ?
H18K C188 H18L 107.4 . . ?
C188 C189 C190 111(2) . . ?
C188 C189 H18M 109.4 . . ?
C190 C189 H18M 109.4 . . ?
C188 C189 H18N 109.3 . . ?
C190 C189 H18N 109.4 . . ?
H18M C189 H18N 108.0 . . ?
N18 C190 C189 107.2(14) . . ?
N18 C190 H19B 110.3 . . ?
C189 C190 H19B 110.3 . . ?
N18 C190 H19C 110.3 . . ?
C189 C190 H19C 110.3 . . ?
H19B C190 H19C 108.5 . . ?
N18 C191 C192 128.1(16) . . ?
N18 C191 H19D 115.9 . . ?
C192 C191 H19D 115.9 . . ?
C197 C192 C191 129.9(19) . . ?
C197 C192 C193 122(2) . . ?
C191 C192 C193 108(2) . . ?
C194 C193 C192 114(2) . . ?
C194 C193 H19E 122.8 . . ?
C192 C193 H19E 122.8 . . ?
C195 C194 C193 124(2) . . ?
C195 C194 H19G 118.1 . . ?
C193 C194 H19G 118.1 . . ?
C194 C195 C196 121(2) . . ?
C194 C195 H19H 119.4 . . ?
C196 C195 H19H 119.4 . . ?
O36 C196 C195 124.7(17) . . ?
O36 C196 C197 119.5(15) . . ?
C195 C196 C197 115.7(18) . . ?
C192 C197 O35 126.8(15) . . ?
C192 C197 C196 122.3(17) . . ?
O35 C197 C196 110.7(14) . . ?
O36 C198 H19J 109.5 . . ?
O36 C198 H19K 109.5 . . ?
H19J C198 H19K 109.5 . . ?
O36 C198 H19L 109.5 . . ?
H19J C198 H19L 109.5 . . ?
H19K C198 H19L 109.5 . . ?
O37 C199 H19M 109.5 . . ?
O37 C199 H19N 109.5 . . ?
H19M C199 H19N 109.5 . . ?
O37 C199 H19O 109.5 . . ?
H19M C199 H19O 109.5 . . ?
H19N C199 H19O 109.5 . . ?
C201 C200 O37 120.7(16) . . ?
C201 C200 C205 128.2(17) . . ?
O37 C200 C205 111.0(14) . . ?
C200 C201 C202 117(2) . . ?
C200 C201 H20A 121.4 . . ?
C202 C201 H20A 121.4 . . ?
C203 C202 C201 117(2) . . ?
C203 C202 H20C 121.5 . . ?
C201 C202 H20C 121.5 . . ?
C202 C203 C204 123(2) . . ?
C202 C203 H20D 118.6 . . ?
C204 C203 H20D 118.6 . . ?
C205 C204 C206 120.9(15) . . ?
C205 C204 C203 120.2(18) . . ?
C206 C204 C203 118.9(18) . . ?
O38 C205 C200 121.1(14) . . ?
O38 C205 C204 124.8(14) . . ?
C200 C205 C204 113.9(15) . . ?
N19 C206 C204 133.5(15) . . ?
N19 C206 H20E 113.2 . . ?
C204 C206 H20E 113.2 . . ?
N19 C207 C208 113.3(12) . . ?
N19 C207 H20F 108.9 . . ?
C208 C207 H20F 108.9 . . ?
N19 C207 H20G 108.9 . . ?
C208 C207 H20G 108.9 . . ?
H20F C207 H20G 107.7 . . ?
C207 C208 C209 111.2(12) . . ?
C207 C208 H20H 109.4 . . ?
C209 C208 H20H 109.4 . . ?
C207 C208 H20I 109.4 . . ?
C209 C208 H20I 109.4 . . ?
H20H C208 H20I 108.0 . . ?
C210 C209 C208 110.6(12) . . ?
C210 C209 H20J 109.5 . . ?
C208 C209 H20J 109.5 . . ?
C210 C209 H20K 109.5 . . ?
C208 C209 H20K 109.5 . . ?
H20J C209 H20K 108.1 . . ?
C209 C210 C211 108.5(12) . . ?
C209 C210 H21A 110.0 . . ?
C211 C210 H21A 110.0 . . ?
C209 C210 H21B 110.0 . . ?
C211 C210 H21B 110.0 . . ?
H21A C210 H21B 108.4 . . ?
C210 C211 C212 107.4(12) . . ?
C210 C211 H21C 110.2 . . ?
C212 C211 H21C 110.2 . . ?
C210 C211 H21D 110.2 . . ?
C212 C211 H21D 110.2 . . ?
H21C C211 H21D 108.5 . . ?
N20 C212 C211 107.4(10) . . ?
N20 C212 H21E 110.2 . . ?
C211 C212 H21E 110.2 . . ?
N20 C212 H21F 110.2 . . ?
C211 C212 H21F 110.2 . . ?
H21E C212 H21F 108.5 . . ?
N20 C213 C214 130.1(13) . . ?
N20 C213 H21G 114.9 . . ?
C214 C213 H21G 114.9 . . ?
C213 C214 C219 125.8(14) . . ?
C213 C214 C215 113.6(14) . . ?
C219 C214 C215 120.5(14) . . ?
C216 C215 C214 116.3(15) . . ?
C216 C215 H21H 121.8 . . ?
C214 C215 H21H 121.8 . . ?
C217 C216 C215 121.9(17) . . ?
C217 C216 H21I 119.1 . . ?
C215 C216 H21I 119.1 . . ?
C216 C217 C218 120.6(18) . . ?
C216 C217 H21J 119.7 . . ?
C218 C217 H21J 119.7 . . ?
C219 C218 O40 116.0(15) . . ?
C219 C218 C217 120.0(16) . . ?
O40 C218 C217 124.0(16) . . ?
O39 C219 C218 120.0(15) . . ?
O39 C219 C214 119.5(13) . . ?
C218 C219 C214 120.4(15) . . ?
O40 C220 H22D 109.5 . . ?
O40 C220 H22E 109.5 . . ?
H22D C220 H22E 109.5 . . ?
O40 C220 H22F 109.5 . . ?
H22D C220 H22F 109.5 . . ?
H22E C220 H22F 109.5 . . ?
O41 C221 H22G 109.5 . . ?
O41 C221 H22H 109.5 . . ?
H22G C221 H22H 109.5 . . ?
O41 C221 H22I 109.5 . . ?
H22G C221 H22I 109.5 . . ?
H22H C221 H22I 109.5 . . ?
O41 C222 C227 114(2) . . ?
O41 C222 C223 135(2) . . ?
C227 C222 C223 107(2) . . ?
C224 C223 C222 128(3) . . ?
C224 C223 H22K 116.0 . . ?
C222 C223 H22K 116.0 . . ?
C223 C224 C225 120(3) . . ?
C223 C224 H22L 119.9 . . ?
C225 C224 H22L 119.9 . . ?
C224 C225 C226 102(3) . . ?
C224 C225 H22M 128.8 . . ?
C226 C225 H22M 128.8 . . ?
C227 C226 C228 122.1(19) . . ?
C227 C226 C225 133(2) . . ?
C228 C226 C225 104(2) . . ?
O42 C227 C226 122.8(16) . . ?
O42 C227 C222 117.3(19) . . ?
C226 C227 C222 120(2) . . ?
N21 C228 C226 124.7(18) . . ?
N21 C228 H22N 117.7 . . ?
C226 C228 H22N 117.7 . . ?
N21 C229 C230 108.5(11) . . ?
N21 C229 H22O 110.0 . . ?
C230 C229 H22O 110.0 . . ?
N21 C229 H22P 110.0 . . ?
C230 C229 H22P 110.0 . . ?
H22O C229 H22P 108.4 . . ?
C229 C230 C231 114.8(13) . . ?
C229 C230 H23D 108.6 . . ?
C231 C230 H23D 108.6 . . ?
C229 C230 H23E 108.6 . . ?
C231 C230 H23E 108.6 . . ?
H23D C230 H23E 107.5 . . ?
C232 C231 C230 111.7(13) . . ?
C232 C231 H23F 109.3 . . ?
C230 C231 H23F 109.3 . . ?
C232 C231 H23G 109.3 . . ?
C230 C231 H23G 109.3 . . ?
H23F C231 H23G 107.9 . . ?
C233 C232 C231 113.4(13) . . ?
C233 C232 H23H 108.9 . . ?
C231 C232 H23H 108.9 . . ?
C233 C232 H23I 108.9 . . ?
C231 C232 H23I 108.9 . . ?
H23H C232 H23I 107.7 . . ?
C232 C233 C234 110.7(12) . . ?
C232 C233 H23J 109.5 . . ?
C234 C233 H23J 109.5 . . ?
C232 C233 H23K 109.5 . . ?
C234 C233 H23K 109.5 . . ?
H23J C233 H23K 108.1 . . ?
N22 C234 C233 109.4(11) . . ?
N22 C234 H23L 109.8 . . ?
C233 C234 H23L 109.8 . . ?
N22 C234 H23M 109.8 . . ?
C233 C234 H23M 109.8 . . ?
H23L C234 H23M 108.2 . . ?
N22 C235 C236 130.8(13) . . ?
N22 C235 H23N 114.6 . . ?
C236 C235 H23N 114.6 . . ?
C237 C236 C235 118.9(15) . . ?
C237 C236 C241 118.5(15) . . ?
C235 C236 C241 122.6(14) . . ?
C238 C237 C236 121.1(17) . . ?
C238 C237 H23O 119.4 . . ?
C236 C237 H23O 119.4 . . ?
C237 C238 C239 123.8(18) . . ?
C237 C238 H23P 118.1 . . ?
C239 C238 H23P 118.1 . . ?
C238 C239 C240 116.9(16) . . ?
C238 C239 H23Q 121.5 . . ?
C240 C239 H23Q 121.5 . . ?
O44 C240 C239 123.7(13) . . ?
O44 C240 C241 115.0(12) . . ?
C239 C240 C241 121.3(14) . . ?
O43 C241 C240 115.2(12) . . ?
O43 C241 C236 126.2(13) . . ?
C240 C241 C236 118.1(13) . . ?
O44 C242 H24A 109.5 . . ?
O44 C242 H24B 109.5 . . ?
H24A C242 H24B 109.5 . . ?
O44 C242 H24C 109.5 . . ?
H24A C242 H24C 109.5 . . ?
H24B C242 H24C 109.5 . . ?
C244 C243 H24D 109.5 . . ?
C244 C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
C244 C243 H24F 109.5 . . ?
H24D C243 H24F 109.5 . . ?
H24E C243 H24F 109.5 . . ?
O46 C244 C243 136(3) . . ?
O46 C244 O45 109.7(18) . . ?
C243 C244 O45 114(3) . . ?
C246 C245 H24G 109.5 . . ?
C246 C245 H24H 109.5 . . ?
H24G C245 H24H 109.5 . . ?
C246 C245 H24I 109.5 . . ?
H24G C245 H24I 109.5 . . ?
H24H C245 H24I 109.5 . . ?
O48 C246 O47 120.1(12) . . ?
O48 C246 C245 122.6(14) . . ?
O47 C246 C245 117.0(13) . . ?
C248 C247 H24J 109.5 . . ?
C248 C247 H24K 109.5 . . ?
H24J C247 H24K 109.5 . . ?
C248 C247 H24L 109.5 . . ?
H24J C247 H24L 109.5 . . ?
H24K C247 H24L 109.5 . . ?
O55 C248 O56 122.7(13) . . ?
O55 C248 C247 120.4(13) . . ?
O56 C248 C247 116.8(13) . . ?
C250 C249 H24M 109.5 . . ?
C250 C249 H24N 109.5 . . ?
H24M C249 H24N 109.5 . . ?
C250 C249 H24O 109.5 . . ?
H24M C249 H24O 109.5 . . ?
H24N C249 H24O 109.5 . . ?
O50 C250 O49 115.2(18) . . ?
O50 C250 C249 122.2(19) . . ?
O49 C250 C249 123(2) . . ?
O50 C250 Cd8 55.2(10) . . ?
O49 C250 Cd8 60.0(10) . . ?
C249 C250 Cd8 177.0(16) . . ?
C252 C251 H25B 109.5 . . ?
C252 C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
C252 C251 H25D 109.5 . . ?
H25B C251 H25D 109.5 . . ?
H25C C251 H25D 109.5 . . ?
O52 C252 O51 121.8(13) . . ?
O52 C252 C251 118.1(14) . . ?
O51 C252 C251 120.1(14) . . ?
C254 C253 H25E 109.5 . . ?
C254 C253 H25F 109.5 . . ?
H25E C253 H25F 109.5 . . ?
C254 C253 H25G 109.5 . . ?
H25E C253 H25G 109.5 . . ?
H25F C253 H25G 109.5 . . ?
O53 C254 O54 122.9(14) . . ?
O53 C254 C253 122.6(15) . . ?
O54 C254 C253 114.2(14) . . ?
O53 C254 Cd8 68.5(8) . . ?
O54 C254 Cd8 54.4(7) . . ?
C253 C254 Cd8 167.2(12) . . ?
C256 C255 H25H 109.5 . . ?
C256 C255 H25I 109.5 . . ?
H25H C255 H25I 109.5 . . ?
C256 C255 H25J 109.5 . . ?
H25H C255 H25J 109.5 . . ?
H25I C255 H25J 109.5 . . ?
O58 C256 O57 127.3(13) . . ?
O58 C256 C255 120.2(12) . . ?
O57 C256 C255 112.4(13) . . ?
C258 C257 H25K 109.5 . . ?
C258 C257 H25L 109.5 . . ?
H25K C257 H25L 109.5 . . ?
C258 C257 H25M 109.5 . . ?
H25K C257 H25M 109.5 . . ?
H25L C257 H25M 109.5 . . ?
O59 C258 O60 118.2(13) . . ?
O59 C258 C257 119.8(13) . . ?
O60 C258 C257 122.0(12) . . ?
C260 C259 H25N 109.5 . . ?
C260 C259 H25O 109.5 . . ?
H25N C259 H25O 109.5 . . ?
C260 C259 H25P 109.5 . . ?
H25N C259 H25P 109.5 . . ?
H25O C259 H25P 109.5 . . ?
O61 C260 O62 119.0(12) . . ?
O61 C260 C259 125.2(13) . . ?
O62 C260 C259 115.4(12) . . ?
C262 C261 H26B 109.5 . . ?
C262 C261 H26C 109.5 . . ?
H26B C261 H26C 109.5 . . ?
C262 C261 H26D 109.5 . . ?
H26B C261 H26D 109.5 . . ?
H26C C261 H26D 109.5 . . ?
O63 C262 O64 122(2) . . ?
O63 C262 C261 121(2) . . ?
O64 C262 C261 116(2) . . ?
O63 C262 Cd11 56.4(12) . . ?
O64 C262 Cd11 66.0(12) . . ?
C261 C262 Cd11 175.9(19) . . ?
C264 C263 H26E 109.5 . . ?
C264 C263 H26F 109.5 . . ?
H26E C263 H26F 109.5 . . ?
C264 C263 H26G 109.5 . . ?
H26E C263 H26G 109.5 . . ?
H26F C263 H26G 109.5 . . ?
O66 C264 O65 118.3(15) . . ?
O66 C264 C263 120.3(14) . . ?
O65 C264 C263 121.4(14) . . ?
O66 C264 Cd11 56.5(8) . . ?
O65 C264 Cd11 62.6(8) . . ?
C263 C264 Cd11 170.8(10) . . ?
C266 C265 H26H 109.5 . . ?
C266 C265 H26I 109.5 . . ?
H26H C265 H26I 109.5 . . ?
C266 C265 H26J 109.5 . . ?
H26H C265 H26J 109.5 . . ?
H26I C265 H26J 109.5 . . ?
O69 C266 O70 125.1(14) . . ?
O69 C266 C265 117.9(14) . . ?
O70 C266 C265 116.9(13) . . ?
C268 C267 H26K 109.5 . . ?
C268 C267 H26L 109.5 . . ?
H26K C267 H26L 109.5 . . ?
C268 C267 H26M 109.5 . . ?
H26K C267 H26M 109.5 . . ?
H26L C267 H26M 109.5 . . ?
O68 C268 O67 118.0(13) . . ?
O68 C268 C267 122.2(14) . . ?
O67 C268 C267 119.6(14) . . ?
C270 C269 H26N 109.5 . . ?
C270 C269 H26O 109.5 . . ?
H26N C269 H26O 109.5 . . ?
C270 C269 H26P 109.5 . . ?
H26N C269 H26P 109.5 . . ?
H26O C269 H26P 109.5 . . ?
O74 C270 O73 120.3(14) . . ?
O74 C270 C269 120.2(14) . . ?
O73 C270 C269 119.5(14) . . ?
C272 C271 H27B 109.5 . . ?
C272 C271 H27C 109.5 . . ?
H27B C271 H27C 109.5 . . ?
C272 C271 H27D 109.5 . . ?
H27B C271 H27D 109.5 . . ?
H27C C271 H27D 109.5 . . ?
O71 C272 O72 125.2(13) . . ?
O71 C272 C271 118.3(13) . . ?
O72 C272 C271 116.5(14) . . ?
C274 C273 H27E 109.5 . . ?
C274 C273 H27F 109.5 . . ?
H27E C273 H27F 109.5 . . ?
C274 C273 H27G 109.5 . . ?
H27E C273 H27G 109.5 . . ?
H27F C273 H27G 109.5 . . ?
O75 C274 O76 115.7(14) . . ?
O75 C274 C273 124.1(16) . . ?
O76 C274 C273 120.2(15) . . ?
C276 C275 H27H 109.5 . . ?
C276 C275 H27I 109.5 . . ?
H27H C275 H27I 109.5 . . ?
C276 C275 H27J 109.5 . . ?
H27H C275 H27J 109.5 . . ?
H27I C275 H27J 109.5 . . ?
O79 C276 O80 128.4(13) . . ?
O79 C276 C275 115.2(13) . . ?
O80 C276 C275 116.4(12) . . ?
C278 C277 H27K 109.5 . . ?
C278 C277 H27L 109.5 . . ?
H27K C277 H27L 109.5 . . ?
C278 C277 H27M 109.5 . . ?
H27K C277 H27M 109.5 . . ?
H27L C277 H27M 109.5 . . ?
O78 C278 O77 126.2(16) . . ?
O78 C278 C277 117.5(16) . . ?
O77 C278 C277 116.2(14) . . ?
C280 C279 H27N 109.5 . . ?
C280 C279 H27O 109.5 . . ?
H27N C279 H27O 109.5 . . ?
C280 C279 H27P 109.5 . . ?
H27N C279 H27P 109.5 . . ?
H27O C279 H27P 109.5 . . ?
O82 C280 O81 122(2) . . ?
O82 C280 C279 123(2) . . ?
O81 C280 C279 113.8(19) . . ?
C282 C281 H28A 109.5 . . ?
C282 C281 H28B 109.5 . . ?
H28A C281 H28B 109.5 . . ?
C282 C281 H28C 109.5 . . ?
H28A C281 H28C 109.5 . . ?
H28B C281 H28C 109.5 . . ?
O84 C282 O83 123.0(17) . . ?
O84 C282 C281 116.7(16) . . ?
O83 C282 C281 120.3(15) . . ?
C284 C283 H28D 109.5 . . ?
C284 C283 H28E 109.5 . . ?
H28D C283 H28E 109.5 . . ?
C284 C283 H28F 109.5 . . ?
H28D C283 H28F 109.5 . . ?
H28E C283 H28F 109.5 . . ?
O85 C284 O86 121.2(14) . . ?
O85 C284 C283 121.8(14) . . ?
O86 C284 C283 116.6(13) . . ?
O85 C284 Cd17 68.3(8) . . ?
O86 C284 Cd17 52.9(7) . . ?
C283 C284 Cd17 168.7(11) . . ?
C286 C285 H28G 109.5 . . ?
C286 C285 H28H 109.5 . . ?
H28G C285 H28H 109.5 . . ?
C286 C285 H28I 109.5 . . ?
H28G C285 H28I 109.5 . . ?
H28H C285 H28I 109.5 . . ?
O87 C286 O88 127.6(18) . . ?
O87 C286 C285 117.2(18) . . ?
O88 C286 C285 115.1(17) . . ?
O87 C286 Cd17 58.3(10) . . ?
O88 C286 Cd17 69.4(9) . . ?
C285 C286 Cd17 174.2(14) . . ?
C288 C287 H28J 109.5 . . ?
C288 C287 H28K 109.5 . . ?
H28J C287 H28K 109.5 . . ?
C288 C287 H28L 109.5 . . ?
H28J C287 H28L 109.5 . . ?
H28K C287 H28L 109.5 . . ?
O92 C288 O91 123.7(14) . . ?
O92 C288 C287 120.0(13) . . ?
O91 C288 C287 116.3(13) . . ?
C290 C289 H28M 109.5 . . ?
C290 C289 H28N 109.5 . . ?
H28M C289 H28N 109.5 . . ?
C290 C289 H28O 109.5 . . ?
H28M C289 H28O 109.5 . . ?
H28N C289 H28O 109.5 . . ?
O90 C290 O89 117.4(13) . . ?
O90 C290 C289 121.6(14) . . ?
O89 C290 C289 120.9(14) . . ?
O94 C292 O93 116.7(14) . . ?
O94 C292 C291 119.3(15) . . ?
O93 C292 C291 123.9(15) . . ?
O94 C292 Cd14 54.8(8) . . ?
O93 C292 Cd14 61.9(8) . . ?
C291 C292 Cd14 174.0(13) . . ?
C294 C293 H29A 109.5 . . ?
C294 C293 H29B 109.5 . . ?
H29A C293 H29B 109.5 . . ?
C294 C293 H29C 109.5 . . ?
H29A C293 H29C 109.5 . . ?
H29B C293 H29C 109.5 . . ?
O96 C294 O95 118.7(14) . . ?
O96 C294 C293 117.9(15) . . ?
O95 C294 C293 123.4(14) . . ?
C296 C295 H29D 109.5 . . ?
C296 C295 H29E 109.5 . . ?
H29D C295 H29E 109.5 . . ?
C296 C295 H29F 109.5 . . ?
H29D C295 H29F 109.5 . . ?
H29E C295 H29F 109.5 . . ?
O128 C296 O127 128.8(17) . . ?
O128 C296 C295 122.0(18) . . ?
O127 C296 C295 108.8(17) . . ?
O128 C296 Cd14 60.9(10) . . ?
O127 C296 Cd14 68.2(9) . . ?
C295 C296 Cd14 177.0(14) . . ?
C298 C297 H29G 109.5 . . ?
C298 C297 H29H 109.5 . . ?
H29G C297 H29H 109.5 . . ?
C298 C297 H29I 109.5 . . ?
H29G C297 H29I 109.5 . . ?
H29H C297 H29I 109.5 . . ?
O98 C298 O97 121.8(14) . . ?
O98 C298 C297 118.6(15) . . ?
O97 C298 C297 119.4(15) . . ?
C300 C299 H29J 109.5 . . ?
C300 C299 H29K 109.5 . . ?
H29J C299 H29K 109.5 . . ?
C300 C299 H29L 109.5 . . ?
H29J C299 H29L 109.5 . . ?
H29K C299 H29L 109.5 . . ?
O99 C300 O100 122.9(16) . . ?
O99 C300 C299 115.7(16) . . ?
O100 C300 C299 121.2(15) . . ?
C302 C301 H30B 109.5 . . ?
C302 C301 H30C 109.5 . . ?
H30B C301 H30C 109.5 . . ?
C302 C301 H30D 109.5 . . ?
H30B C301 H30D 109.5 . . ?
H30C C301 H30D 109.5 . . ?
O101 C302 O102 122.9(14) . . ?
O101 C302 C301 120.7(15) . . ?
O102 C302 C301 116.4(14) . . ?
C304 C303 H30E 109.5 . . ?
C304 C303 H30F 109.5 . . ?
H30E C303 H30F 109.5 . . ?
C304 C303 H30G 109.5 . . ?
H30E C303 H30G 109.5 . . ?
H30F C303 H30G 109.5 . . ?
O103 C304 O104 120(2) . . ?
O103 C304 C303 128(2) . . ?
O104 C304 C303 111(2) . . ?
O103 C304 Cd23 63.0(12) . . ?
O104 C304 Cd23 58.5(12) . . ?
C303 C304 Cd23 169.1(19) . . ?
C306 C305 H30H 109.5 . . ?
C306 C305 H30I 109.5 . . ?
H30H C305 H30I 109.5 . . ?
C306 C305 H30J 109.5 . . ?
H30H C305 H30J 109.5 . . ?
H30I C305 H30J 109.5 . . ?
O105 C306 O106 139(2) . . ?
O105 C306 C305 108(2) . . ?
O106 C306 C305 113(2) . . ?
O105 C306 Cd23 84.0(15) . . ?
O106 C306 Cd23 57.3(12) . . ?
C305 C306 Cd23 161.8(14) . . ?
C308 C307 H30K 109.5 . . ?
C308 C307 H30L 109.5 . . ?
H30K C307 H30L 109.5 . . ?
C308 C307 H30M 109.5 . . ?
H30K C307 H30M 109.5 . . ?
H30L C307 H30M 109.5 . . ?
O110 C308 O109 128.4(17) . . ?
O110 C308 C307 116.5(17) . . ?
O109 C308 C307 115.0(16) . . ?
C310 C309 H30N 109.5 . . ?
C310 C309 H30O 109.5 . . ?
H30N C309 H30O 109.5 . . ?
C310 C309 H30P 109.5 . . ?
H30N C309 H30P 109.5 . . ?
H30O C309 H30P 109.5 . . ?
O108 C310 O107 124.4(14) . . ?
O108 C310 C309 116.6(14) . . ?
O107 C310 C309 119.0(14) . . ?
C312 C311 H31C 109.5 . . ?
C312 C311 H31D 109.5 . . ?
H31C C311 H31D 109.5 . . ?
C312 C311 H31E 109.5 . . ?
H31C C311 H31E 109.5 . . ?
H31D C311 H31E 109.5 . . ?
O112 C312 O111 120.9(15) . . ?
O112 C312 C311 124.1(15) . . ?
O111 C312 C311 114.9(15) . . ?
C314 C313 H31F 109.5 . . ?
C314 C313 H31G 109.5 . . ?
H31F C313 H31G 109.5 . . ?
C314 C313 H31H 109.5 . . ?
H31F C313 H31H 109.5 . . ?
H31G C313 H31H 109.5 . . ?
O115 C314 O116 125.8(13) . . ?
O115 C314 C313 116.1(13) . . ?
O116 C314 C313 118.0(13) . . ?
C316 C315 H31I 109.5 . . ?
C316 C315 H31J 109.5 . . ?
H31I C315 H31J 109.5 . . ?
C316 C315 H31K 109.5 . . ?
H31I C315 H31K 109.5 . . ?
H31J C315 H31K 109.5 . . ?
O114 C316 O113 117.3(15) . . ?
O114 C316 C315 119.9(17) . . ?
O113 C316 C315 122.8(17) . . ?
O114 C316 Cd20 55.1(9) . . ?
O113 C316 Cd20 62.3(8) . . ?
C315 C316 Cd20 174.4(14) . . ?
C318 C317 H31L 109.5 . . ?
C318 C317 H31M 109.5 . . ?
H31L C317 H31M 109.5 . . ?
C318 C317 H31N 109.5 . . ?
H31L C317 H31N 109.5 . . ?
H31M C317 H31N 109.5 . . ?
O119 C318 O120 127(3) . . ?
O119 C318 C317 119(3) . . ?
O120 C318 C317 114(3) . . ?
O119 C318 Cd20 64.2(17) . . ?
O120 C318 Cd20 63.2(15) . . ?
C317 C318 Cd20 177(2) . . ?
C320 C319 H31O 109.5 . . ?
C320 C319 H31P 109.5 . . ?
H31O C319 H31P 109.5 . . ?
C320 C319 H31Q 109.5 . . ?
H31O C319 H31Q 109.5 . . ?
H31P C319 H31Q 109.5 . . ?
O122 C320 O121 122.6(16) . . ?
O122 C320 C319 121.3(16) . . ?
O121 C320 C319 115.8(15) . . ?
C322 C321 H32B 109.5 . . ?
C322 C321 H32C 109.5 . . ?
H32B C321 H32C 109.5 . . ?
C322 C321 H32D 109.5 . . ?
H32B C321 H32D 109.5 . . ?
H32C C321 H32D 109.5 . . ?
O118 C322 O117 117.5(13) . . ?
O118 C322 C321 118.7(14) . . ?
O117 C322 C321 123.4(14) . . ?
C324 C323 H32E 109.5 . . ?
C324 C323 H32F 109.5 . . ?
H32E C323 H32F 109.5 . . ?
C324 C323 H32G 109.5 . . ?
H32E C323 H32G 109.5 . . ?
H32F C323 H32G 109.5 . . ?
O124 C324 O123 126.0(13) . . ?
O124 C324 C323 118.4(13) . . ?
O123 C324 C323 115.6(13) . . ?
C326 C325 H32H 109.5 . . ?
C326 C325 H32I 109.5 . . ?
H32H C325 H32I 109.5 . . ?
C326 C325 H32J 109.5 . . ?
H32H C325 H32J 109.5 . . ?
H32I C325 H32J 109.5 . . ?
O126 C326 O125 128.4(15) . . ?
O126 C326 C325 117.3(13) . . ?
O125 C326 C325 114.1(14) . . ?
C328 C327 H32K 109.5 . . ?
C328 C327 H32L 109.5 . . ?
H32K C327 H32L 109.5 . . ?
C328 C327 H32M 109.5 . . ?
H32K C327 H32M 109.5 . . ?
H32L C327 H32M 109.5 . . ?
O130 C328 O129 137.1(18) . . ?
O130 C328 C327 106.0(17) . . ?
O129 C328 C327 108.4(18) . . ?
C244 O45 Cd5 98.3(14) . . ?
C244 O46 Cd6 126.7(15) . . ?
C244 O46 Cd5 89.2(13) . . ?
Cd6 O46 Cd5 143.6(5) . . ?
C246 O47 Cd6 129.4(8) . . ?
C246 O48 Cd8 128.3(9) . . ?
C246 O48 Cd7 130.3(9) . . ?
Cd8 O48 Cd7 97.2(3) . . ?
C250 O49 Cd8 93.1(12) . . ?
C250 O50 Cd8 98.8(12) . . ?
C252 O51 Cd7 92.8(9) . . ?
C252 O51 Cd9 131.5(9) . . ?
Cd7 O51 Cd9 133.4(4) . . ?
C252 O52 Cd7 91.5(9) . . ?
C252 O52 Cd6 137.5(9) . . ?
Cd7 O52 Cd6 86.9(3) . . ?
C254 O53 Cd9 135.6(10) . . ?
C254 O53 Cd8 84.4(9) . . ?
Cd9 O53 Cd8 138.9(4) . . ?
C254 O54 Cd8 98.0(9) . . ?
C248 O55 Nd3 165.1(9) . . ?
C248 O56 Cd9 110.1(9) . . ?
C256 O57 Nd3 139.4(9) . . ?
C256 O58 Cd9 133.1(9) . . ?
C258 O59 Nd3 150.6(9) . . ?
C258 O60 Cd10 121.7(8) . . ?
C258 O60 Cd11 130.8(8) . . ?
Cd10 O60 Cd11 105.4(4) . . ?
C260 O61 Cd12 128.6(9) . . ?
C260 O62 Cd10 104.9(8) . . ?
C260 O62 Nd3 139.0(8) . . ?
Cd10 O62 Nd3 100.9(3) . . ?
C262 O63 Cd11 98.2(15) . . ?
C262 O64 Cd11 86.7(14) . . ?
C264 O65 Cd11 88.9(9) . . ?
C264 O65 Cd12 136.6(10) . . ?
Cd11 O65 Cd12 134.4(4) . . ?
C264 O66 Cd11 95.2(9) . . ?
C268 O67 Nd1 157.7(9) . . ?
C268 O68 Cd12 107.8(8) . . ?
C266 O69 Nd1 143.6(10) . . ?
C266 O70 Cd12 129.0(9) . . ?
C272 O71 Cd1 125.6(9) . . ?
C272 O71 Cd2 131.3(9) . . ?
Cd1 O71 Cd2 103.1(4) . . ?
C272 O72 Nd1 144.2(10) . . ?
C270 O73 Cd1 105.3(9) . . ?
C270 O73 Nd1 141.0(9) . . ?
Cd1 O73 Nd1 102.4(3) . . ?
C270 O74 Cd3 134.1(9) . . ?
C274 O75 Cd2 97.8(10) . . ?
C274 O76 Cd3 135.2(9) . . ?
C274 O76 Cd2 90.2(8) . . ?
Cd3 O76 Cd2 134.5(4) . . ?
C278 O77 Cd3 108.8(10) . . ?
C278 O78 Nd2 164.4(11) . . ?
C276 O79 Cd3 128.6(9) . . ?
C276 O80 Nd2 141.0(9) . . ?
C280 O81 Cd4 124.8(13) . . ?
C280 O81 Cd5 137.8(13) . . ?
Cd4 O81 Cd5 95.0(6) . . ?
C280 O82 Nd2 147.6(14) . . ?
C282 O83 Cd4 100.3(9) . . ?
C282 O83 Nd2 145.2(10) . . ?
Cd4 O83 Nd2 101.8(4) . . ?
C282 O84 Cd6 141.4(11) . . ?
C284 O85 Cd18 136.0(10) . . ?
C284 O85 Cd17 84.7(9) . . ?
Cd18 O85 Cd17 138.9(5) . . ?
C284 O86 Cd17 98.7(8) . . ?
C286 O87 Cd17 96.1(12) . . ?
C286 O88 Cd17 83.4(10) . . ?
C290 O89 Cd16 94.2(9) . . ?
C290 O89 Cd18 128.8(9) . . ?
Cd16 O89 Cd18 135.1(4) . . ?
C290 O90 Cd16 93.6(9) . . ?
C288 O91 Cd15 128.1(10) . . ?
C288 O92 Cd17 128.7(9) . . ?
C288 O92 Cd16 127.8(9) . . ?
Cd17 O92 Cd16 98.5(3) . . ?
C292 O93 Cd15 134.6(10) . . ?
C292 O93 Cd14 89.9(9) . . ?
Cd15 O93 Cd14 135.5(4) . . ?
C292 O94 Cd14 97.9(10) . . ?
C294 O95 Cd13 104.6(9) . . ?
C294 O95 Nd4 134.9(9) . . ?
Cd13 O95 Nd4 101.9(4) . . ?
C294 O96 Cd15 138.7(11) . . ?
C298 O97 Nd4 150.5(10) . . ?
C298 O98 Cd13 122.1(10) . . ?
C298 O98 Cd14 135.3(10) . . ?
Cd13 O98 Cd14 101.5(4) . . ?
C300 O99 Nd4 165.0(11) . . ?
C300 O100 Cd24 116.4(11) . . ?
C302 O101 Cd24 131.7(10) . . ?
C302 O102 Nd4 146.7(10) . . ?
C304 O103 Cd24 131.0(14) . . ?
C304 O103 Cd23 90.9(14) . . ?
Cd24 O103 Cd23 137.7(5) . . ?
C304 O104 Cd23 91.7(14) . . ?
C306 O106 Cd23 93.5(15) . . ?
C310 O107 Cd22 105.0(9) . . ?
C310 O107 Nd6 146.5(10) . . ?
Cd22 O107 Nd6 101.0(4) . . ?
C310 O108 Cd24 137.0(10) . . ?
C308 O109 Cd23 136.1(11) . . ?
C308 O109 Cd22 121.7(11) . . ?
Cd23 O109 Cd22 102.2(4) . . ?
C308 O110 Nd6 143.1(12) . . ?
C312 O111 Nd6 163.6(10) . . ?
C312 O112 Cd21 101.2(9) . . ?
C316 O113 Cd21 136.6(11) . . ?
C316 O113 Cd20 89.6(10) . . ?
Cd21 O113 Cd20 133.5(5) . . ?
C316 O114 Cd20 98.0(10) . . ?
C314 O115 Cd21 129.9(9) . . ?
C314 O116 Nd6 142.9(9) . . ?
C322 O117 Cd21 128.0(9) . . ?
C322 O118 Cd19 105.3(9) . . ?
C322 O118 Nd5 140.5(9) . . ?
Cd19 O118 Nd5 100.8(4) . . ?
C318 O119 Cd20 89.2(19) . . ?
C318 O120 Cd20 89.2(18) . . ?
C320 O121 Cd19 122.4(10) . . ?
C320 O121 Cd20 133.7(10) . . ?
Cd19 O121 Cd20 103.5(4) . . ?
C320 O122 Nd5 148.3(11) . . ?
C324 O123 Nd5 168.6(9) . . ?
C324 O124 Cd18 108.1(9) . . ?
C326 O125 Nd5 138.7(10) . . ?
C326 O126 Cd18 131.3(10) . . ?
C296 O127 Cd14 82.2(10) . . ?
C296 O128 Cd14 93.6(12) . . ?
C328 O129 Cd2 110.2(13) . . ?

_diffrn_measured_fraction_theta_max 0.968
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.968
_refine_diff_density_max         2.259
_refine_diff_density_min         -2.730
_refine_diff_density_rms         0.165
_database_code_depnum_ccdc_archive 'CCDC 1023236'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_squee

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C328 H413 Cd24 N22 O131 Yb6'
_chemical_formula_sum            'C328 H413 Cd24 N22 O131 Yb6'
_chemical_formula_weight         10495.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  -P2ybc

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

_cell_length_a                   35.136(7)
_cell_length_b                   29.045(6)
_cell_length_c                   49.536(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.13(3)
_cell_angle_gamma                90.00
_cell_volume                     50420(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(1)
_cell_measurement_reflns_used    64052
_cell_measurement_theta_min      1.0401
_cell_measurement_theta_max      26.1653

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             20620
_exptl_absorpt_coefficient_mu    2.155
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.256003
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(1)
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            333694
_diffrn_reflns_av_R_equivalents  0.0991
_diffrn_reflns_av_sigmaI/netI    0.1106
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_theta_min         0.91
_diffrn_reflns_theta_max         25.00
_reflns_number_total             85857
_reflns_number_gt                50552
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Some uncoordinated solvent molecules such as MeOH, EtOEt and H2O molecules 
 were found to be badly disordered. Attempts to model the disorder were 
 unsatisfactory. The contributions to the scattering factors due to these 
 solvent molecules were removed by use of the utility SQUEEZE (Sluis and 
 Spek, 1990) in PLATON98 (Spek, 1998). PLATON98 was used as incorporated 
 in WinGX (Farrugia, 1999).

 Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij 
 components approximate to isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1718P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         85857
_refine_ls_number_parameters     4592
_refine_ls_number_restraints     3131
_refine_ls_R_factor_all          0.1560
_refine_ls_R_factor_gt           0.1114
_refine_ls_wR_factor_ref         0.3307
_refine_ls_wR_factor_gt          0.2964
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.011
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.208991(19) 0.35195(3) 0.152008(14) 0.06289(19) Uani 1 1 d U . .
Yb2 Yb 0.23907(2) 0.38209(3) 0.357626(19) 0.0801(2) Uani 1 1 d U . .
Yb3 Yb 0.036947(18) 0.11152(3) 0.213769(14) 0.06273(19) Uani 1 1 d U . .
Yb4 Yb 0.27738(2) -0.10158(3) 0.354865(17) 0.0732(2) Uani 1 1 d U . .
Yb5 Yb 0.457156(19) 0.17106(3) 0.218905(16) 0.0679(2) Uani 1 1 d U . .
Yb6 Yb 0.27455(2) -0.06018(3) 0.144464(19) 0.0800(2) Uani 1 1 d U . .
Cd1 Cd 0.27004(3) 0.43633(4) 0.18805(2) 0.0583(3) Uani 1 1 d U . .
Cd2 Cd 0.22751(3) 0.52027(4) 0.22886(2) 0.0630(3) Uani 1 1 d U . .
Cd3 Cd 0.25429(3) 0.40028(4) 0.28146(2) 0.0632(3) Uani 1 1 d U . .
Cd4 Cd 0.20725(5) 0.33441(6) 0.42112(3) 0.0996(5) Uani 1 1 d U . .
Cd5 Cd 0.11892(5) 0.35715(8) 0.44627(4) 0.11755(5) Uani 1 1 d DU . .
Cd6 Cd 0.12297(3) 0.22531(5) 0.39967(2) 0.0626(3) Uani 1 1 d U . .
Cd7 Cd 0.05673(3) 0.14212(5) 0.38020(2) 0.0604(3) Uani 1 1 d U . .
Cd8 Cd -0.02227(3) 0.19615(5) 0.34651(2) 0.0651(3) Uani 1 1 d U . .
Cd9 Cd 0.05697(3) 0.11801(4) 0.29161(2) 0.0517(3) Uani 1 1 d U . .
Cd10 Cd 0.03560(3) 0.14124(4) 0.14147(2) 0.0550(3) Uani 1 1 d U . .
Cd11 Cd 0.01342(3) 0.25539(5) 0.11905(2) 0.0610(3) Uani 1 1 d U . .
Cd12 Cd 0.13731(3) 0.25300(4) 0.145964(19) 0.0497(2) Uani 1 1 d U . .
Cd13 Cd 0.31242(3) -0.06355(5) 0.42326(2) 0.0618(3) Uani 1 1 d U . .
Cd14 Cd 0.40762(3) -0.08262(5) 0.44887(2) 0.0660(3) Uani 1 1 d U . .
Cd15 Cd 0.39839(3) 0.04841(4) 0.40498(2) 0.0572(3) Uani 1 1 d U . .
Cd16 Cd 0.45873(3) 0.13574(4) 0.38565(2) 0.0598(3) Uani 1 1 d U . .
Cd17 Cd 0.53377(3) 0.08315(5) 0.35356(2) 0.0645(3) Uani 1 1 d U . .
Cd18 Cd 0.44799(3) 0.16000(4) 0.29633(2) 0.0562(3) Uani 1 1 d U . .
Cd19 Cd 0.44589(3) 0.14753(5) 0.14546(3) 0.0672(3) Uani 1 1 d U . .
Cd20 Cd 0.46653(4) 0.03517(6) 0.12070(3) 0.0901(4) Uani 1 1 d U . .
Cd21 Cd 0.34565(3) 0.03746(4) 0.14175(2) 0.0627(3) Uani 1 1 d U . .
Cd22 Cd 0.22248(3) -0.14676(4) 0.17992(3) 0.0689(3) Uani 1 1 d U . .
Cd23 Cd 0.27420(3) -0.22816(5) 0.22228(3) 0.0833(4) Uani 1 1 d U . .
Cd24 Cd 0.25273(3) -0.11304(4) 0.27630(2) 0.0645(3) Uani 1 1 d U . .
N1 N 0.2519(5) 0.2970(7) 0.4491(3) 0.091(5) Uani 1 1 d U . .
N2 N 0.4690(4) 0.2010(6) 0.4092(3) 0.079(4) Uani 1 1 d U . .
N3 N 0.1545(3) 0.1886(5) 0.4354(2) 0.060(3) Uani 1 1 d U . .
N4 N 0.3687(3) 0.0827(5) 0.4397(2) 0.061(3) Uani 1 1 d U . .
N5 N 0.0493(4) 0.0733(6) 0.4034(3) 0.072(4) Uani 1 1 d U . .
N6 N 0.2710(3) -0.0254(5) 0.4497(2) 0.060(3) Uani 1 1 d U . .
N7 N 0.0271(3) 0.0543(4) 0.3097(2) 0.057(3) Uani 1 1 d U . .
N8 N 0.2096(3) -0.1321(5) 0.3629(2) 0.064(3) Uani 1 1 d U . .
N9 N 0.0141(3) 0.0279(5) 0.2147(2) 0.057(3) Uani 1 1 d U . .
N10 N 0.1984(3) -0.1564(5) 0.2743(2) 0.064(3) Uani 1 1 d U . .
N11 N 0.0449(4) 0.0856(5) 0.1121(2) 0.070(4) Uani 1 1 d DU . .
N12 N 0.1581(3) -0.1473(5) 0.1751(2) 0.063(3) Uani 1 1 d U . .
N13 N 0.1284(3) 0.2333(5) 0.1009(2) 0.064(3) Uani 1 1 d U . .
N14 N 0.2327(4) -0.0399(5) 0.1022(3) 0.070(4) Uani 1 1 d U . .
N15 N 0.2395(3) 0.3369(5) 0.1065(2) 0.061(3) Uani 1 1 d U . .
N16 N 0.3430(3) 0.0670(5) 0.0990(2) 0.064(3) Uani 1 1 d U . .
N17 N 0.3345(4) 0.4412(5) 0.1797(3) 0.074(4) Uani 1 1 d U . .
N18 N 0.4297(4) 0.2044(6) 0.1152(3) 0.087(4) Uani 1 1 d U . .
N19 N 0.3113(3) 0.4425(5) 0.2812(2) 0.066(3) Uani 1 1 d U . .
N20 N 0.4797(3) 0.2552(5) 0.2219(3) 0.066(3) Uani 1 1 d U . .
N21 N 0.3073(3) 0.4077(5) 0.3726(2) 0.063(3) Uani 1 1 d U . .
N22 N 0.4795(4) 0.2218(5) 0.3172(3) 0.072(4) Uani 1 1 d U . .
O1 O 0.1103(4) 0.2892(6) 0.4767(3) 0.114(5) Uani 1 1 d U . .
O2 O 0.1716(4) 0.3138(6) 0.4539(3) 0.109(5) Uani 1 1 d U . .
O3 O 0.5161(3) 0.1464(4) 0.37350(19) 0.059(2) Uani 1 1 d U . .
O4 O 0.5775(3) 0.1478(5) 0.3476(2) 0.081(3) Uani 1 1 d U . .
O5 O 0.0056(2) 0.1695(4) 0.42481(19) 0.059(3) Uani 1 1 d U . .
O6 O 0.0759(2) 0.1856(4) 0.41482(17) 0.052(2) Uani 1 1 d U . .
O7 O 0.4440(3) 0.0952(4) 0.42109(18) 0.061(3) Uani 1 1 d U . .
O8 O 0.5141(3) 0.1125(4) 0.4338(2) 0.073(3) Uani 1 1 d U . .
O9 O -0.0686(3) 0.1322(5) 0.3390(2) 0.076(3) Uani 1 1 d U . .
O10 O -0.0023(3) 0.1297(4) 0.3665(2) 0.069(3) Uani 1 1 d U . .
O11 O 0.3538(3) -0.0457(4) 0.4582(2) 0.071(3) Uani 1 1 d U . .
O12 O 0.4163(3) -0.0256(4) 0.48676(19) 0.065(3) Uani 1 1 d U . .
O13 O -0.0359(2) 0.1215(4) 0.21702(16) 0.053(2) Uani 1 1 d U . .
O14 O 0.0144(2) 0.1004(4) 0.25556(16) 0.053(2) Uani 1 1 d U . .
O15 O 0.2715(2) -0.1144(4) 0.40229(18) 0.056(2) Uani 1 1 d U . .
O16 O 0.3048(3) -0.1354(4) 0.4508(2) 0.075(3) Uani 1 1 d U . .
O17 O -0.0353(3) 0.1243(4) 0.12883(18) 0.060(3) Uani 1 1 d U . .
O18 O 0.0076(3) 0.0934(4) 0.17116(17) 0.055(2) Uani 1 1 d U . .
O19 O 0.2568(3) -0.1484(4) 0.3190(2) 0.073(3) Uani 1 1 d U . .
O20 O 0.2913(3) -0.1864(4) 0.3600(2) 0.081(3) Uani 1 1 d DU . .
O21 O 0.0215(3) 0.2534(5) 0.0702(2) 0.074(3) Uani 1 1 d U . .
O22 O 0.0336(3) 0.1871(4) 0.10484(18) 0.058(2) Uani 1 1 d U . .
O23 O 0.2145(3) -0.2055(4) 0.2073(2) 0.066(3) Uani 1 1 d U . .
O24 O 0.2247(4) -0.2726(5) 0.2411(3) 0.098(4) Uani 1 1 d U . .
O25 O 0.1723(2) 0.4046(4) 0.11793(18) 0.055(2) Uani 1 1 d U . .
O26 O 0.1614(2) 0.3177(4) 0.12438(17) 0.052(2) Uani 1 1 d U . .
O27 O 0.2295(2) -0.1180(3) 0.13743(18) 0.053(2) Uani 1 1 d U . .
O28 O 0.2151(3) -0.2061(4) 0.1425(2) 0.063(3) Uani 1 1 d U . .
O29 O 0.2670(3) 0.5000(4) 0.15170(19) 0.059(2) Uani 1 1 d U . .
O30 O 0.2511(2) 0.4116(3) 0.14538(19) 0.055(2) Uani 1 1 d U . .
O31 O 0.3154(3) -0.0233(4) 0.1165(2) 0.065(3) Uani 1 1 d U . .
O32 O 0.3015(3) -0.1071(4) 0.1047(2) 0.077(3) Uani 1 1 d U . .
O33 O 0.2818(3) 0.5553(5) 0.2532(3) 0.093(4) Uani 1 1 d U . .
O34 O 0.2841(2) 0.4943(4) 0.21685(19) 0.057(2) Uani 1 1 d U . .
O35 O 0.4457(3) 0.1032(5) 0.1084(2) 0.087(4) Uani 1 1 d U . .
O36 O 0.4428(4) 0.0347(6) 0.0731(3) 0.107(4) Uani 1 1 d U . .
O37 O 0.2296(4) 0.4692(5) 0.3654(3) 0.098(4) Uani 1 1 d U . .
O38 O 0.2582(3) 0.4325(4) 0.3234(2) 0.069(3) Uani 1 1 d U . .
O39 O 0.4791(3) 0.1936(4) 0.17785(19) 0.061(3) Uani 1 1 d U . .
O40 O 0.5137(3) 0.1665(5) 0.1350(2) 0.085(4) Uani 1 1 d U . .
O41 O 0.2110(7) 0.4049(10) 0.4479(3) 0.196(9) Uani 1 1 d DU . .
O42 O 0.2493(4) 0.3884(5) 0.4044(2) 0.087(4) Uani 1 1 d U . .
O43 O 0.4854(2) 0.1808(3) 0.26232(18) 0.053(2) Uani 1 1 d U . .
O44 O 0.5297(2) 0.1641(4) 0.22424(18) 0.054(2) Uani 1 1 d U . .
O131 O 0.1109(6) 0.4350(6) 0.4643(4) 0.1849(4) Uani 1 1 d DU . .
H13A H 0.1008 0.4334 0.4786 0.277 Uiso 1 1 calc R . .
C1 C 0.0765(5) 0.2845(8) 0.4927(4) 0.096(6) Uani 1 1 d U . .
H1A H 0.0785 0.2565 0.5030 0.145 Uiso 1 1 calc R . .
H1B H 0.0538 0.2836 0.4806 0.145 Uiso 1 1 calc R . .
H1C H 0.0753 0.3103 0.5047 0.145 Uiso 1 1 calc R . .
C2 C 0.1434(6) 0.2808(8) 0.4893(4) 0.090(6) Uani 1 1 d U . .
C3 C 0.1494(9) 0.2568(12) 0.5122(6) 0.146(10) Uani 1 1 d U . .
H3A H 0.1285 0.2500 0.5220 0.175 Uiso 1 1 calc R . .
C4 C 0.1864(10) 0.2409(14) 0.5225(7) 0.173(13) Uani 1 1 d U . .
H4A H 0.1894 0.2219 0.5376 0.207 Uiso 1 1 calc R . .
C5 C 0.2171(8) 0.2549(11) 0.5088(5) 0.133(9) Uani 1 1 d U . .
H5A H 0.2417 0.2494 0.5162 0.159 Uiso 1 1 calc R . .
C6 C 0.2116(5) 0.2774(7) 0.4841(3) 0.076(5) Uani 1 1 d DU . .
C7 C 0.1761(5) 0.2922(8) 0.4740(4) 0.083(5) Uani 1 1 d U . .
C8 C 0.2479(5) 0.2826(7) 0.4711(4) 0.081(5) Uani 1 1 d DU . .
H8A H 0.2699 0.2737 0.4813 0.098 Uiso 1 1 calc R . .
C9 C 0.2927(6) 0.2988(8) 0.4401(4) 0.099(6) Uani 1 1 d DU . .
H9A H 0.2966 0.3267 0.4299 0.119 Uiso 1 1 calc R . .
H9B H 0.3111 0.2979 0.4556 0.119 Uiso 1 1 calc R . .
C10 C 0.2968(6) 0.2568(8) 0.4224(4) 0.101(6) Uani 1 1 d DU . .
H10A H 0.2755 0.2562 0.4088 0.121 Uiso 1 1 calc R . .
H10B H 0.2949 0.2295 0.4335 0.121 Uiso 1 1 calc R . .
C11 C 0.3349(7) 0.2541(11) 0.4077(5) 0.127(8) Uani 1 1 d U . .
H11A H 0.3318 0.2323 0.3928 0.152 Uiso 1 1 calc R . .
H11B H 0.3404 0.2840 0.4001 0.152 Uiso 1 1 calc R . .
C12 C 0.3693(6) 0.2388(9) 0.4274(4) 0.106(7) Uani 1 1 d U . .
H12A H 0.3757 0.2630 0.4405 0.128 Uiso 1 1 calc R . .
H12B H 0.3626 0.2114 0.4372 0.128 Uiso 1 1 calc R . .
C13 C 0.4027(5) 0.2292(8) 0.4109(4) 0.091(6) Uani 1 1 d U . .
H13B H 0.3959 0.2039 0.3987 0.109 Uiso 1 1 calc R . .
H13C H 0.4069 0.2560 0.3999 0.109 Uiso 1 1 calc R . .
C14 C 0.4387(5) 0.2177(7) 0.4261(3) 0.076(5) Uani 1 1 d U . .
H14A H 0.4338 0.1942 0.4393 0.091 Uiso 1 1 calc R . .
H14B H 0.4479 0.2448 0.4359 0.091 Uiso 1 1 calc R . .
C15 C 0.4973(5) 0.2308(7) 0.4086(3) 0.073(4) Uani 1 1 d U . .
H15A H 0.4962 0.2583 0.4182 0.088 Uiso 1 1 calc R . .
C16 C 0.5304(5) 0.2209(8) 0.3932(4) 0.088(5) Uani 1 1 d U . .
C17 C 0.5591(7) 0.2599(10) 0.3953(5) 0.120(8) Uani 1 1 d U . .
H17A H 0.5550 0.2845 0.4067 0.144 Uiso 1 1 calc R . .
C18 C 0.5910(6) 0.2599(8) 0.3807(4) 0.108(7) Uani 1 1 d DU . .
H18A H 0.6073 0.2851 0.3812 0.129 Uiso 1 1 calc R . .
C19 C 0.5984(5) 0.2215(6) 0.3652(3) 0.074(5) Uani 1 1 d DU . .
H19A H 0.6201 0.2209 0.3555 0.089 Uiso 1 1 calc R . .
C20 C 0.5733(4) 0.1832(6) 0.3639(3) 0.064(4) Uani 1 1 d U . .
C21 C 0.5394(5) 0.1843(7) 0.3777(3) 0.071(4) Uani 1 1 d U . .
C22 C 0.6143(4) 0.1400(7) 0.3362(3) 0.072(4) Uani 1 1 d U . .
H22A H 0.6252 0.1691 0.3316 0.108 Uiso 1 1 calc R . .
H22B H 0.6106 0.1215 0.3202 0.108 Uiso 1 1 calc R . .
H22C H 0.6313 0.1245 0.3492 0.108 Uiso 1 1 calc R . .
C23 C -0.0315(5) 0.1495(7) 0.4279(3) 0.077(5) Uani 1 1 d U . .
H23A H -0.0473 0.1532 0.4114 0.115 Uiso 1 1 calc R . .
H23B H -0.0433 0.1647 0.4424 0.115 Uiso 1 1 calc R . .
H23C H -0.0287 0.1173 0.4320 0.115 Uiso 1 1 calc R . .
C24 C 0.0317(4) 0.1669(6) 0.4468(3) 0.061(4) Uani 1 1 d U . .
C25 C 0.0245(5) 0.1543(7) 0.4740(3) 0.073(5) Uani 1 1 d U . .
H25A H -0.0003 0.1504 0.4790 0.088 Uiso 1 1 calc R . .
C26 C 0.0543(6) 0.1482(8) 0.4918(4) 0.087(5) Uani 1 1 d U . .
H26A H 0.0494 0.1378 0.5090 0.104 Uiso 1 1 calc R . .
C27 C 0.0896(6) 0.1555(8) 0.4871(4) 0.095(6) Uani 1 1 d U . .
H27A H 0.1087 0.1518 0.5009 0.114 Uiso 1 1 calc R . .
C28 C 0.0989(4) 0.1692(6) 0.4609(3) 0.066(4) Uani 1 1 d U . .
C29 C 0.0696(4) 0.1759(6) 0.4409(3) 0.057(4) Uani 1 1 d U . .
C30 C 0.1403(5) 0.1748(6) 0.4567(3) 0.069(4) Uani 1 1 d U . .
H30A H 0.1574 0.1674 0.4712 0.082 Uiso 1 1 calc R . .
C31 C 0.1959(4) 0.1864(6) 0.4357(3) 0.067(4) Uani 1 1 d U B .
H31A H 0.2066 0.1743 0.4528 0.081 Uiso 1 1 calc R . .
H31B H 0.2064 0.2169 0.4331 0.081 Uiso 1 1 calc R . .
C32 C 0.2058(5) 0.1536(8) 0.4117(4) 0.092(6) Uani 1 1 d DU . .
H32O H 0.1953 0.1237 0.4159 0.110 Uiso 1 1 calc R A 1
H32A H 0.1908 0.1647 0.3958 0.110 Uiso 1 1 calc R A 1
C33 C 0.2457(7) 0.1439(15) 0.4024(6) 0.076(12) Uani 0.47(4) 1 d PDU B 1
H33A H 0.2444 0.1185 0.3896 0.091 Uiso 0.47(4) 1 calc PR B 1
H33B H 0.2549 0.1708 0.3932 0.091 Uiso 0.47(4) 1 calc PR B 1
C34 C 0.2728(7) 0.1322(11) 0.4263(7) 0.1211(5) Uani 0.47(4) 1 d PDU B 1
H34A H 0.2624 0.1073 0.4365 0.145 Uiso 0.47(4) 1 calc PR B 1
H34B H 0.2760 0.1588 0.4381 0.145 Uiso 0.47(4) 1 calc PR B 1
C33' C 0.2489(12) 0.1351(17) 0.4224(8) 0.100(15) Uani 0.53(4) 1 d PU B 2
H33C H 0.2620 0.1587 0.4335 0.120 Uiso 0.53(4) 1 calc PR B 2
H33D H 0.2467 0.1079 0.4335 0.120 Uiso 0.53(4) 1 calc PR B 2
C34' C 0.2699(12) 0.1249(17) 0.4008(8) 0.099(14) Uani 0.53(4) 1 d PU B 2
H34C H 0.2697 0.1501 0.3880 0.119 Uiso 0.53(4) 1 calc PR B 2
H34D H 0.2608 0.0971 0.3916 0.119 Uiso 0.53(4) 1 calc PR B 2
C35 C 0.3122(5) 0.1177(8) 0.4166(4) 0.090(6) Uani 1 1 d DU . .
H35A H 0.3185 0.1474 0.4242 0.107 Uiso 1 1 d R B .
H35B H 0.3291 0.1134 0.4023 0.107 Uiso 1 1 d R . .
C36 C 0.3268(6) 0.0842(8) 0.4387(4) 0.098(6) Uani 1 1 d U B .
H36A H 0.3187 0.0942 0.4561 0.117 Uiso 1 1 calc R . .
H36B H 0.3165 0.0537 0.4350 0.117 Uiso 1 1 calc R . .
C37 C 0.3853(5) 0.0983(6) 0.4621(3) 0.067(4) Uani 1 1 d U . .
H37A H 0.3698 0.1065 0.4758 0.081 Uiso 1 1 calc R . .
C38 C 0.4272(4) 0.1039(6) 0.4677(3) 0.057(4) Uani 1 1 d U . .
C39 C 0.4386(6) 0.1110(8) 0.4948(4) 0.092(6) Uani 1 1 d U . .
H39A H 0.4216 0.1099 0.5083 0.111 Uiso 1 1 calc R . .
C40 C 0.4774(6) 0.1200(7) 0.5003(4) 0.085(5) Uani 1 1 d U . .
H40A H 0.4860 0.1237 0.5184 0.102 Uiso 1 1 calc R . .
C41 C 0.5016(5) 0.1237(7) 0.4832(4) 0.083(5) Uani 1 1 d U . .
H41A H 0.5264 0.1327 0.4887 0.099 Uiso 1 1 calc R . .
C42 C 0.4919(5) 0.1141(7) 0.4551(3) 0.071(4) Uani 1 1 d U . .
C43 C 0.4521(4) 0.1014(5) 0.4462(3) 0.053(3) Uani 1 1 d U . .
C44 C 0.5528(5) 0.1256(7) 0.4383(4) 0.084(5) Uani 1 1 d U . .
H44A H 0.5651 0.1233 0.4217 0.127 Uiso 1 1 calc R . .
H44B H 0.5653 0.1056 0.4516 0.127 Uiso 1 1 calc R . .
H44C H 0.5542 0.1568 0.4448 0.127 Uiso 1 1 calc R . .
C45 C -0.1067(5) 0.1421(8) 0.3283(4) 0.091(6) Uani 1 1 d U . .
H45A H -0.1210 0.1140 0.3266 0.137 Uiso 1 1 calc R . .
H45B H -0.1058 0.1561 0.3108 0.137 Uiso 1 1 calc R . .
H45C H -0.1186 0.1628 0.3402 0.137 Uiso 1 1 calc R . .
C46 C -0.0611(5) 0.0951(7) 0.3535(3) 0.070(4) Uani 1 1 d U . .
C47 C -0.0838(5) 0.0527(8) 0.3531(4) 0.082(5) Uani 1 1 d U . .
H47A H -0.1074 0.0529 0.3433 0.098 Uiso 1 1 calc R . .
C48 C -0.0731(6) 0.0147(9) 0.3655(4) 0.095(6) Uani 1 1 d U . .
H48A H -0.0885 -0.0114 0.3637 0.114 Uiso 1 1 calc R . .
C49 C -0.0385(5) 0.0131(8) 0.3816(4) 0.089(6) Uani 1 1 d U . .
H49A H -0.0310 -0.0137 0.3908 0.107 Uiso 1 1 calc R . .
C50 C -0.0146(5) 0.0545(7) 0.3836(3) 0.073(5) Uani 1 1 d U . .
C51 C -0.0242(5) 0.0966(7) 0.3676(3) 0.069(4) Uani 1 1 d U . .
C52 C 0.0188(5) 0.0472(6) 0.3993(3) 0.068(4) Uani 1 1 d U . .
H52A H 0.0200 0.0193 0.4085 0.082 Uiso 1 1 calc R . .
C53 C 0.0807(5) 0.0586(8) 0.4217(4) 0.087(5) Uani 1 1 d U . .
H53B H 0.0724 0.0332 0.4326 0.105 Uiso 1 1 calc R . .
H53A H 0.0881 0.0837 0.4339 0.105 Uiso 1 1 calc R . .
C54 C 0.1135(5) 0.0442(7) 0.4080(4) 0.084(5) Uani 1 1 d U . .
H54B H 0.1194 0.0684 0.3954 0.100 Uiso 1 1 calc R . .
H54A H 0.1062 0.0173 0.3972 0.100 Uiso 1 1 calc R . .
C55 C 0.1514(5) 0.0322(8) 0.4256(4) 0.096(6) Uani 1 1 d U . .
H55A H 0.1604 0.0591 0.4358 0.116 Uiso 1 1 calc R . .
H55B H 0.1466 0.0078 0.4383 0.116 Uiso 1 1 calc R . .
C56 C 0.1819(7) 0.0166(13) 0.4068(6) 0.162(11) Uani 1 1 d DU . .
H56B H 0.1813 0.0389 0.3922 0.194 Uiso 1 1 calc R . .
H56A H 0.1728 -0.0122 0.3988 0.194 Uiso 1 1 calc R . .
C57 C 0.2250(7) 0.0089(10) 0.4160(5) 0.153(11) Uani 1 1 d DU . .
H57A H 0.2384 -0.0004 0.4005 0.183 Uiso 1 1 calc R . .
H57B H 0.2359 0.0379 0.4226 0.183 Uiso 1 1 calc R . .
C58 C 0.2311(5) -0.0267(7) 0.4378(4) 0.088(5) Uani 1 1 d DU . .
H58A H 0.2138 -0.0210 0.4519 0.105 Uiso 1 1 calc R . .
H58B H 0.2256 -0.0570 0.4303 0.105 Uiso 1 1 calc R . .
C59 C 0.2786(4) -0.0083(6) 0.4723(3) 0.058(4) Uani 1 1 d DU . .
H59A H 0.2576 0.0010 0.4813 0.070 Uiso 1 1 calc R . .
C60 C 0.3164(4) -0.0003(6) 0.4871(3) 0.062(4) Uani 1 1 d DU . .
C61 C 0.3147(5) 0.0266(7) 0.5110(3) 0.083(5) Uani 1 1 d U . .
H61A H 0.2913 0.0373 0.5162 0.099 Uiso 1 1 calc R . .
C62 C 0.3484(5) 0.0367(7) 0.5267(3) 0.080(5) Uani 1 1 d U . .
H62A H 0.3475 0.0540 0.5424 0.096 Uiso 1 1 calc R . .
C63 C 0.3829(5) 0.0213(6) 0.5189(3) 0.067(4) Uani 1 1 d U . .
H63A H 0.4053 0.0305 0.5285 0.081 Uiso 1 1 calc R . .
C64 C 0.3845(4) -0.0078(6) 0.4969(3) 0.062(4) Uani 1 1 d U . .
C65 C 0.3512(4) -0.0203(6) 0.4791(3) 0.056(4) Uani 1 1 d U . .
C66 C 0.4512(4) -0.0151(7) 0.5019(3) 0.072(4) Uani 1 1 d U . .
H66A H 0.4516 0.0170 0.5067 0.108 Uiso 1 1 calc R . .
H66B H 0.4722 -0.0217 0.4911 0.108 Uiso 1 1 calc R . .
H66C H 0.4534 -0.0334 0.5181 0.108 Uiso 1 1 calc R . .
C67 C -0.0626(4) 0.1440(6) 0.1986(3) 0.072(4) Uani 1 1 d U . .
H67A H -0.0827 0.1230 0.1930 0.108 Uiso 1 1 calc R . .
H67B H -0.0500 0.1539 0.1830 0.108 Uiso 1 1 calc R . .
H67C H -0.0730 0.1702 0.2072 0.108 Uiso 1 1 calc R . .
C68 C -0.0511(4) 0.1003(5) 0.2389(3) 0.052(3) Uani 1 1 d U . .
C69 C -0.0878(4) 0.0919(7) 0.2408(3) 0.070(4) Uani 1 1 d U . .
H69A H -0.1061 0.1045 0.2285 0.084 Uiso 1 1 calc R . .
C70 C -0.0986(5) 0.0627(8) 0.2626(4) 0.089(5) Uani 1 1 d U . .
H70A H -0.1234 0.0515 0.2626 0.107 Uiso 1 1 calc R . .
C71 C -0.0716(4) 0.0515(6) 0.2838(3) 0.070(4) Uani 1 1 d U . .
H71A H -0.0794 0.0361 0.2989 0.084 Uiso 1 1 calc R . .
C72 C -0.0331(4) 0.0631(6) 0.2825(3) 0.062(4) Uani 1 1 d U . .
C73 C -0.0211(5) 0.0849(7) 0.2602(3) 0.071(4) Uani 1 1 d U . .
C74 C -0.0075(4) 0.0465(6) 0.3050(3) 0.065(4) Uani 1 1 d U . .
H74A H -0.0187 0.0277 0.3174 0.078 Uiso 1 1 calc R . .
C75 C 0.0485(4) 0.0292(6) 0.3316(3) 0.063(4) Uani 1 1 d U . .
H75A H 0.0310 0.0116 0.3418 0.076 Uiso 1 1 calc R . .
H75B H 0.0618 0.0509 0.3438 0.076 Uiso 1 1 calc R . .
C76 C 0.0769(4) -0.0027(5) 0.3199(2) 0.051(3) Uani 1 1 d U . .
H76A H 0.0918 0.0144 0.3075 0.061 Uiso 1 1 calc R . .
H76B H 0.0632 -0.0268 0.3096 0.061 Uiso 1 1 calc R . .
C77 C 0.1044(4) -0.0253(6) 0.3425(3) 0.064(4) Uani 1 1 d U . .
H77A H 0.1214 -0.0019 0.3506 0.077 Uiso 1 1 calc R . .
H77B H 0.0895 -0.0376 0.3566 0.077 Uiso 1 1 calc R . .
C78 C 0.1274(4) -0.0629(6) 0.3314(3) 0.067(4) Uani 1 1 d U . .
H78A H 0.1106 -0.0875 0.3248 0.081 Uiso 1 1 calc R . .
H78B H 0.1407 -0.0513 0.3163 0.081 Uiso 1 1 calc R . .
C79 C 0.1555(5) -0.0813(7) 0.3524(3) 0.073(4) Uani 1 1 d U . .
H79A H 0.1419 -0.0915 0.3677 0.088 Uiso 1 1 calc R . .
H79B H 0.1724 -0.0564 0.3587 0.088 Uiso 1 1 calc R . .
C80 C 0.1793(5) -0.1202(6) 0.3434(3) 0.068(4) Uani 1 1 d U . .
H80A H 0.1632 -0.1470 0.3399 0.081 Uiso 1 1 calc R . .
H80B H 0.1900 -0.1119 0.3266 0.081 Uiso 1 1 calc R . .
C81 C 0.2046(5) -0.1593(8) 0.3796(4) 0.087(5) Uani 1 1 d U . .
H81A H 0.1812 -0.1742 0.3770 0.104 Uiso 1 1 calc R . .
C82 C 0.2280(5) -0.1757(7) 0.4046(4) 0.090(6) Uani 1 1 d DU . .
C83 C 0.2157(7) -0.2153(8) 0.4203(5) 0.115(7) Uani 1 1 d DU . .
H83A H 0.1957 -0.2339 0.4135 0.138 Uiso 1 1 calc R . .
C84 C 0.2333(8) -0.2239(12) 0.4441(6) 0.145(10) Uani 1 1 d U . .
H84A H 0.2250 -0.2488 0.4539 0.174 Uiso 1 1 calc R . .
C85 C 0.2629(6) -0.1986(8) 0.4550(4) 0.095(6) Uani 1 1 d U . .
H85A H 0.2747 -0.2053 0.4720 0.114 Uiso 1 1 calc R . .
C86 C 0.2746(5) -0.1623(8) 0.4395(4) 0.090(6) Uani 1 1 d U . .
C87 C 0.2593(4) -0.1490(6) 0.4162(3) 0.063(4) Uani 1 1 d U . .
C88 C 0.3192(5) -0.1428(8) 0.4776(3) 0.086(5) Uani 1 1 d U . .
H88A H 0.2983 -0.1462 0.4890 0.129 Uiso 1 1 calc R . .
H88B H 0.3346 -0.1170 0.4837 0.129 Uiso 1 1 calc R . .
H88C H 0.3344 -0.1703 0.4785 0.129 Uiso 1 1 calc R . .
C89 C -0.0571(4) 0.1400(6) 0.1045(3) 0.066(4) Uani 1 1 d U . .
H89A H -0.0839 0.1355 0.1065 0.100 Uiso 1 1 calc R . .
H89B H -0.0497 0.1227 0.0892 0.100 Uiso 1 1 calc R . .
H89C H -0.0523 0.1721 0.1017 0.100 Uiso 1 1 calc R . .
C90 C -0.0463(4) 0.0864(6) 0.1401(3) 0.060(4) Uani 1 1 d U . .
C91 C -0.0798(5) 0.0604(7) 0.1316(3) 0.076(5) Uani 1 1 d U . .
H91A H -0.0936 0.0689 0.1157 0.091 Uiso 1 1 calc R . .
C92 C -0.0919(5) 0.0253(7) 0.1452(3) 0.070(4) Uani 1 1 d U . .
H92A H -0.1152 0.0116 0.1399 0.084 Uiso 1 1 calc R . .
C93 C -0.0701(5) 0.0087(7) 0.1674(4) 0.079(5) Uani 1 1 d U . .
H93A H -0.0783 -0.0172 0.1764 0.094 Uiso 1 1 calc R . .
C94 C -0.0348(4) 0.0305(6) 0.1769(3) 0.058(4) Uani 1 1 d U . .
C95 C -0.0242(4) 0.0697(6) 0.1634(3) 0.063(4) Uani 1 1 d U . .
C96 C -0.0143(4) 0.0104(6) 0.1995(3) 0.057(4) Uani 1 1 d U . .
H96A H -0.0219 -0.0191 0.2041 0.068 Uiso 1 1 calc R . .
C97 C 0.0309(4) -0.0024(5) 0.2360(3) 0.060(4) Uani 1 1 d DU . .
H97A H 0.0108 -0.0207 0.2432 0.072 Uiso 1 1 calc R . .
H97B H 0.0424 0.0163 0.2506 0.072 Uiso 1 1 calc R . .
C98 C 0.0605(5) -0.0341(7) 0.2261(3) 0.079(5) Uani 1 1 d DU . .
H98A H 0.0766 -0.0170 0.2145 0.095 Uiso 1 1 calc R . .
H98B H 0.0479 -0.0583 0.2153 0.095 Uiso 1 1 calc R . .
C99 C 0.0853(4) -0.0557(6) 0.2489(3) 0.070(4) Uani 1 1 d U . .
H99A H 0.0978 -0.0312 0.2595 0.084 Uiso 1 1 calc R . .
H99B H 0.0688 -0.0719 0.2606 0.084 Uiso 1 1 calc R . .
C100 C 0.1153(4) -0.0886(6) 0.2409(3) 0.066(4) Uani 1 1 d U . .
H10C H 0.1026 -0.1152 0.2324 0.079 Uiso 1 1 calc R . .
H10D H 0.1296 -0.0738 0.2272 0.079 Uiso 1 1 calc R . .
C101 C 0.1428(5) -0.1052(7) 0.2628(3) 0.074(5) Uani 1 1 d U . .
H10E H 0.1588 -0.0797 0.2693 0.089 Uiso 1 1 calc R . .
H10F H 0.1288 -0.1159 0.2778 0.089 Uiso 1 1 calc R . .
C102 C 0.1674(4) -0.1429(6) 0.2541(3) 0.064(4) Uani 1 1 d U . .
H10G H 0.1516 -0.1696 0.2498 0.076 Uiso 1 1 calc R . .
H10H H 0.1787 -0.1334 0.2377 0.076 Uiso 1 1 calc R . .
C103 C 0.1946(6) -0.1963(8) 0.2850(4) 0.090(6) Uani 1 1 d U . .
H10I H 0.1762 -0.2154 0.2765 0.108 Uiso 1 1 calc R . .
C104 C 0.2154(5) -0.2151(7) 0.3086(4) 0.079(5) Uani 1 1 d U . .
C105 C 0.2038(8) -0.2581(11) 0.3163(5) 0.136(9) Uani 1 1 d U . .
H10J H 0.1833 -0.2711 0.3060 0.164 Uiso 1 1 calc R . .
C106 C 0.2211(11) -0.2862(17) 0.3396(9) 0.25(2) Uani 1 1 d DU . .
H10K H 0.2125 -0.3154 0.3440 0.298 Uiso 1 1 calc R . .
C107 C 0.2527(6) -0.2628(10) 0.3544(5) 0.126(8) Uani 1 1 d DU . .
H10L H 0.2647 -0.2759 0.3699 0.151 Uiso 1 1 calc R . .
C108 C 0.2657(5) -0.2172(7) 0.3444(3) 0.083(5) Uani 1 1 d DU . .
C109 C 0.2467(6) -0.1908(8) 0.3232(4) 0.093(6) Uani 1 1 d U . .
C110 C 0.3175(5) -0.2119(7) 0.3808(3) 0.090(6) Uani 1 1 d DU . .
H11C H 0.3121 -0.2022 0.3987 0.135 Uiso 1 1 calc R . .
H11D H 0.3436 -0.2050 0.3779 0.135 Uiso 1 1 calc R . .
H11E H 0.3133 -0.2444 0.3790 0.135 Uiso 1 1 calc R . .
C111 C 0.0036(7) 0.2909(10) 0.0528(5) 0.117(8) Uani 1 1 d U . .
H11F H 0.0089 0.2858 0.0343 0.175 Uiso 1 1 calc R . .
H11G H 0.0139 0.3202 0.0587 0.175 Uiso 1 1 calc R . .
H11H H -0.0235 0.2908 0.0542 0.175 Uiso 1 1 calc R . .
C112 C 0.0183(4) 0.2129(7) 0.0590(3) 0.067(4) Uani 1 1 d U . .
C113 C 0.0067(5) 0.1991(8) 0.0319(4) 0.087(5) Uani 1 1 d U . .
H11I H -0.0022 0.2216 0.0196 0.105 Uiso 1 1 calc R . .
C114 C 0.0081(6) 0.1550(9) 0.0231(4) 0.100(6) Uani 1 1 d U . .
H11J H 0.0034 0.1479 0.0048 0.120 Uiso 1 1 calc R . .
C115 C 0.0158(6) 0.1241(8) 0.0402(4) 0.090(6) Uani 1 1 d U . .
H11K H 0.0136 0.0940 0.0339 0.108 Uiso 1 1 calc R . .
C116 C 0.0277(4) 0.1296(6) 0.0684(3) 0.060(4) Uani 1 1 d U . .
C117 C 0.0267(4) 0.1754(6) 0.0785(3) 0.059(4) Uani 1 1 d U . .
C118 C 0.0375(6) 0.0881(8) 0.0842(3) 0.092(6) Uani 1 1 d DU . .
H11L H 0.0390 0.0607 0.0746 0.111 Uiso 1 1 calc R . .
C119 C 0.0508(5) 0.0392(7) 0.1202(3) 0.072(4) Uani 1 1 d U . .
H11M H 0.0447 0.0187 0.1050 0.086 Uiso 1 1 calc R . .
H11N H 0.0345 0.0314 0.1345 0.086 Uiso 1 1 calc R . .
C120 C 0.0930(5) 0.0342(6) 0.1302(4) 0.091(6) Uani 1 1 d DU . .
H12C H 0.1004 0.0592 0.1425 0.109 Uiso 1 1 calc R . .
H12D H 0.1089 0.0355 0.1150 0.109 Uiso 1 1 calc R . .
C121 C 0.0983(5) -0.0135(6) 0.1452(4) 0.090(6) Uani 1 1 d DU . .
H12E H 0.0857 -0.0132 0.1620 0.108 Uiso 1 1 calc R . .
H12F H 0.0875 -0.0382 0.1339 0.108 Uiso 1 1 calc R . .
C122 C 0.1398(5) -0.0202(8) 0.1507(4) 0.089(6) Uani 1 1 d U . .
H12G H 0.1507 0.0078 0.1585 0.107 Uiso 1 1 calc R . .
H12H H 0.1510 -0.0253 0.1336 0.107 Uiso 1 1 calc R . .
C123 C 0.1505(7) -0.0595(9) 0.1693(5) 0.114(7) Uani 1 1 d U . .
H12I H 0.1390 -0.0548 0.1862 0.137 Uiso 1 1 calc R . .
H12J H 0.1780 -0.0595 0.1731 0.137 Uiso 1 1 calc R . .
C124 C 0.1378(6) -0.1084(8) 0.1574(4) 0.094(6) Uani 1 1 d U . .
H12K H 0.1104 -0.1117 0.1575 0.113 Uiso 1 1 calc R . .
H12L H 0.1447 -0.1110 0.1389 0.113 Uiso 1 1 calc R . .
C125 C 0.1374(5) -0.1769(7) 0.1849(3) 0.071(4) Uani 1 1 d U . .
H12M H 0.1115 -0.1738 0.1799 0.086 Uiso 1 1 calc R . .
C126 C 0.1467(5) -0.2148(7) 0.2025(3) 0.073(5) Uani 1 1 d U . .
C127 C 0.1164(5) -0.2447(6) 0.2101(3) 0.067(4) Uani 1 1 d U . .
H12N H 0.0919 -0.2391 0.2025 0.081 Uiso 1 1 calc R . .
C128 C 0.1212(6) -0.2791(8) 0.2267(4) 0.090(6) Uani 1 1 d U . .
H12O H 0.1003 -0.2971 0.2305 0.108 Uiso 1 1 calc R . .
C129 C 0.1579(5) -0.2896(8) 0.2394(4) 0.090(6) Uani 1 1 d U . .
H12P H 0.1613 -0.3126 0.2525 0.108 Uiso 1 1 calc R . .
C130 C 0.1874(4) -0.2646(6) 0.2315(3) 0.064(4) Uani 1 1 d U . .
C131 C 0.1835(5) -0.2270(7) 0.2136(3) 0.071(4) Uani 1 1 d U . .
C132 C 0.2339(6) -0.3108(9) 0.2591(4) 0.110(7) Uani 1 1 d U . .
H13D H 0.2166 -0.3112 0.2732 0.166 Uiso 1 1 calc R . .
H13E H 0.2596 -0.3075 0.2669 0.166 Uiso 1 1 calc R . .
H13F H 0.2317 -0.3391 0.2491 0.166 Uiso 1 1 calc R . .
C133 C 0.1731(4) 0.4542(6) 0.1162(3) 0.070(4) Uani 1 1 d U . .
H13G H 0.1493 0.4650 0.1077 0.105 Uiso 1 1 calc R . .
H13H H 0.1936 0.4636 0.1057 0.105 Uiso 1 1 calc R . .
H13I H 0.1767 0.4670 0.1341 0.105 Uiso 1 1 calc R . .
C134 C 0.1488(4) 0.3811(6) 0.0982(3) 0.061(4) Uani 1 1 d U . .
C135 C 0.1293(5) 0.4044(8) 0.0757(4) 0.087(5) Uani 1 1 d U . .
H13J H 0.1315 0.4361 0.0736 0.104 Uiso 1 1 calc R . .
C136 C 0.1084(5) 0.3800(7) 0.0582(3) 0.077(5) Uani 1 1 d U . .
H13K H 0.0956 0.3946 0.0436 0.092 Uiso 1 1 calc R . .
C137 C 0.1049(5) 0.3328(7) 0.0610(3) 0.070(4) Uani 1 1 d U . .
H13L H 0.0902 0.3157 0.0483 0.084 Uiso 1 1 calc R . .
C138 C 0.1226(4) 0.3127(6) 0.0822(3) 0.062(4) Uani 1 1 d U . .
C139 C 0.1448(3) 0.3362(5) 0.1025(2) 0.048(3) Uani 1 1 d U . .
C140 C 0.1189(4) 0.2627(5) 0.0827(2) 0.052(3) Uani 1 1 d U . .
H14C H 0.1074 0.2501 0.0669 0.063 Uiso 1 1 calc R . .
C141 C 0.1258(4) 0.1819(6) 0.0940(3) 0.058(4) Uani 1 1 d U . .
H14D H 0.1124 0.1658 0.1076 0.069 Uiso 1 1 calc R . .
H14E H 0.1119 0.1776 0.0766 0.069 Uiso 1 1 calc R . .
C142 C 0.1657(4) 0.1632(6) 0.0933(3) 0.057(4) Uani 1 1 d U . .
H14F H 0.1820 0.1762 0.1081 0.068 Uiso 1 1 calc R . .
H14G H 0.1762 0.1717 0.0764 0.068 Uiso 1 1 calc R . .
C143 C 0.1643(4) 0.1087(6) 0.0961(3) 0.063(4) Uani 1 1 d U . .
H14H H 0.1577 0.1008 0.1142 0.076 Uiso 1 1 calc R . .
H14I H 0.1445 0.0967 0.0833 0.076 Uiso 1 1 calc R . .
C144 C 0.2011(5) 0.0868(7) 0.0909(3) 0.076(5) Uani 1 1 d U . .
H14J H 0.2215 0.1003 0.1025 0.091 Uiso 1 1 calc R . .
H14K H 0.2066 0.0916 0.0722 0.091 Uiso 1 1 calc R . .
C145 C 0.1984(4) 0.0345(6) 0.0968(3) 0.065(4) Uani 1 1 d U . .
H14L H 0.1933 0.0303 0.1156 0.078 Uiso 1 1 calc R . .
H14M H 0.1770 0.0218 0.0857 0.078 Uiso 1 1 calc R . .
C146 C 0.2341(5) 0.0081(7) 0.0912(3) 0.074(5) Uani 1 1 d U . .
H14N H 0.2366 0.0069 0.0719 0.089 Uiso 1 1 calc R . .
H14O H 0.2563 0.0239 0.0995 0.089 Uiso 1 1 calc R . .
C147 C 0.2136(5) -0.0663(6) 0.0854(3) 0.071(4) Uani 1 1 d DU . .
H14P H 0.2034 -0.0531 0.0693 0.086 Uiso 1 1 calc R . .
C148 C 0.2065(4) -0.1158(6) 0.0894(3) 0.071(4) Uani 1 1 d DU . .
C149 C 0.1880(6) -0.1412(8) 0.0680(4) 0.090(6) Uani 1 1 d U . .
H14Q H 0.1810 -0.1269 0.0516 0.108 Uiso 1 1 calc R . .
C150 C 0.1804(6) -0.1876(8) 0.0716(4) 0.089(6) Uani 1 1 d U . .
H15B H 0.1690 -0.2044 0.0573 0.106 Uiso 1 1 calc R . .
C151 C 0.1890(6) -0.2082(8) 0.0949(4) 0.092(6) Uani 1 1 d U . .
H15C H 0.1835 -0.2394 0.0958 0.111 Uiso 1 1 calc R . .
C152 C 0.2059(4) -0.1873(7) 0.1186(3) 0.070(4) Uani 1 1 d U . .
C153 C 0.2149(4) -0.1368(6) 0.1146(3) 0.066(4) Uani 1 1 d U . .
C154 C 0.2042(5) -0.2514(7) 0.1463(4) 0.088(6) Uani 1 1 d U . .
H15D H 0.2034 -0.2674 0.1293 0.133 Uiso 1 1 calc R . .
H15E H 0.1795 -0.2521 0.1532 0.133 Uiso 1 1 calc R . .
H15F H 0.2224 -0.2662 0.1589 0.133 Uiso 1 1 calc R . .
C155 C 0.2784(5) 0.5462(6) 0.1559(3) 0.072(4) Uani 1 1 d U . .
H15G H 0.2637 0.5657 0.1434 0.108 Uiso 1 1 calc R . .
H15H H 0.3050 0.5492 0.1529 0.108 Uiso 1 1 calc R . .
H15I H 0.2743 0.5551 0.1741 0.108 Uiso 1 1 calc R . .
C156 C 0.2701(4) 0.4800(7) 0.1254(3) 0.067(4) Uani 1 1 d U . .
C157 C 0.2817(5) 0.5071(7) 0.1044(3) 0.074(5) Uani 1 1 d U . .
H15J H 0.2886 0.5377 0.1071 0.089 Uiso 1 1 calc R . .
C158 C 0.2825(4) 0.4877(6) 0.0802(3) 0.065(4) Uani 1 1 d U . .
H15K H 0.2892 0.5056 0.0658 0.078 Uiso 1 1 calc R . .
C159 C 0.2740(5) 0.4435(7) 0.0758(4) 0.080(5) Uani 1 1 d U . .
H15L H 0.2754 0.4315 0.0585 0.097 Uiso 1 1 calc R . .
C160 C 0.2628(4) 0.4139(6) 0.0972(3) 0.064(4) Uani 1 1 d U . .
C161 C 0.2614(4) 0.4346(5) 0.1223(3) 0.051(3) Uani 1 1 d U . .
C162 C 0.2544(4) 0.3663(6) 0.0905(3) 0.057(4) Uani 1 1 d U . .
H16A H 0.2600 0.3561 0.0735 0.069 Uiso 1 1 calc R . .
C163 C 0.2344(4) 0.2882(7) 0.0948(3) 0.069(4) Uani 1 1 d U . .
H16B H 0.2155 0.2714 0.1043 0.082 Uiso 1 1 calc R . .
H16C H 0.2260 0.2896 0.0758 0.082 Uiso 1 1 calc R . .
C164 C 0.2727(4) 0.2650(6) 0.0988(3) 0.062(4) Uani 1 1 d U . .
H16D H 0.2832 0.2695 0.1172 0.075 Uiso 1 1 calc R . .
H16E H 0.2902 0.2786 0.0867 0.075 Uiso 1 1 calc R . .
C165 C 0.2682(4) 0.2136(6) 0.0928(3) 0.065(4) Uani 1 1 d U . .
H16F H 0.2503 0.2002 0.1046 0.078 Uiso 1 1 calc R . .
H16G H 0.2583 0.2091 0.0742 0.078 Uiso 1 1 calc R . .
C166 C 0.3064(4) 0.1907(7) 0.0975(3) 0.071(4) Uani 1 1 d U . .
H16H H 0.3173 0.1988 0.1154 0.086 Uiso 1 1 calc R . .
H16I H 0.3232 0.2024 0.0845 0.086 Uiso 1 1 calc R . .
C167 C 0.3046(4) 0.1365(6) 0.0951(4) 0.071(4) Uani 1 1 d U . .
H16J H 0.2911 0.1239 0.1098 0.085 Uiso 1 1 calc R . .
H16K H 0.2911 0.1278 0.0781 0.085 Uiso 1 1 calc R . .
C168 C 0.3441(5) 0.1180(7) 0.0963(4) 0.078(5) Uani 1 1 d U . .
H16L H 0.3590 0.1311 0.1117 0.094 Uiso 1 1 calc R . .
H16M H 0.3561 0.1263 0.0800 0.094 Uiso 1 1 calc R . .
C169 C 0.3429(5) 0.0412(7) 0.0761(3) 0.076(5) Uani 1 1 d U . .
H16N H 0.3469 0.0568 0.0602 0.091 Uiso 1 1 calc R . .
C170 C 0.3370(6) -0.0081(8) 0.0739(4) 0.092(6) Uani 1 1 d U . .
C171 C 0.3433(6) -0.0248(9) 0.0460(4) 0.104(7) Uani 1 1 d U . .
H17B H 0.3527 -0.0042 0.0337 0.124 Uiso 1 1 calc R . .
C172 C 0.3357(8) -0.0706(10) 0.0374(5) 0.134(9) Uani 1 1 d DU . .
H17C H 0.3386 -0.0812 0.0200 0.161 Uiso 1 1 calc R . .
C173 C 0.3226(6) -0.0997(8) 0.0594(4) 0.095(6) Uani 1 1 d DU . .
H17E H 0.3204 -0.1312 0.0566 0.115 Uiso 1 1 calc R . .
C174 C 0.3138(6) -0.0825(8) 0.0829(4) 0.090(6) Uani 1 1 d U . .
C175 C 0.3244(5) -0.0360(8) 0.0927(4) 0.084(5) Uani 1 1 d U . .
C176 C 0.3005(6) -0.1574(7) 0.1018(4) 0.088(5) Uani 1 1 d U . .
H17F H 0.3256 -0.1684 0.0989 0.132 Uiso 1 1 calc R . .
H17G H 0.2833 -0.1656 0.0866 0.132 Uiso 1 1 calc R . .
H17H H 0.2920 -0.1709 0.1179 0.132 Uiso 1 1 calc R . .
C177 C 0.2763(6) 0.5907(9) 0.2732(4) 0.109(7) Uani 1 1 d U . .
H17I H 0.2950 0.5872 0.2882 0.164 Uiso 1 1 calc R . .
H17J H 0.2512 0.5879 0.2795 0.164 Uiso 1 1 calc R . .
H17K H 0.2790 0.6205 0.2652 0.164 Uiso 1 1 calc R . .
C178 C 0.3163(4) 0.5521(6) 0.2421(3) 0.066(4) Uani 1 1 d U . .
C179 C 0.3463(5) 0.5791(8) 0.2484(4) 0.085(5) Uani 1 1 d U . .
H17L H 0.3459 0.6020 0.2616 0.102 Uiso 1 1 calc R . .
C180 C 0.3785(6) 0.5705(9) 0.2339(4) 0.095(6) Uani 1 1 d U . .
H18B H 0.3994 0.5898 0.2373 0.113 Uiso 1 1 calc R . .
C181 C 0.3818(5) 0.5388(7) 0.2164(4) 0.079(5) Uani 1 1 d U . .
H18C H 0.4049 0.5344 0.2087 0.095 Uiso 1 1 calc R . .
C182 C 0.3492(5) 0.5091(7) 0.2084(4) 0.076(5) Uani 1 1 d U . .
C183 C 0.3155(4) 0.5186(6) 0.2216(3) 0.058(4) Uani 1 1 d U . .
C184 C 0.3559(5) 0.4735(8) 0.1914(4) 0.083(5) Uani 1 1 d U . .
H18D H 0.3812 0.4718 0.1872 0.100 Uiso 1 1 calc R . .
C185 C 0.3474(6) 0.4083(9) 0.1620(4) 0.097(6) Uani 1 1 d U . .
H18E H 0.3724 0.4170 0.1566 0.117 Uiso 1 1 calc R . .
H18F H 0.3301 0.4070 0.1458 0.117 Uiso 1 1 calc R . .
C186 C 0.3497(8) 0.3615(9) 0.1753(5) 0.121(8) Uani 1 1 d DU . .
H18G H 0.3269 0.3557 0.1847 0.145 Uiso 1 1 calc R . .
H18H H 0.3717 0.3598 0.1882 0.145 Uiso 1 1 calc R . .
C187 C 0.3532(9) 0.3262(10) 0.1526(6) 0.1647(4) Uani 1 1 d DU . .
H18I H 0.3293 0.3094 0.1500 0.198 Uiso 1 1 calc R . .
H18J H 0.3568 0.3426 0.1359 0.198 Uiso 1 1 calc R . .
C188 C 0.3846(8) 0.2924(10) 0.1572(6) 0.152(11) Uani 1 1 d DU . .
H18K H 0.3845 0.2816 0.1758 0.182 Uiso 1 1 calc R . .
H18L H 0.4085 0.3085 0.1556 0.182 Uiso 1 1 calc R . .
C189 C 0.3841(7) 0.2505(9) 0.1388(5) 0.122(8) Uani 1 1 d DU . .
H18M H 0.3640 0.2529 0.1244 0.146 Uiso 1 1 calc R . .
H18N H 0.3806 0.2224 0.1489 0.146 Uiso 1 1 calc R . .
C190 C 0.4238(6) 0.2520(8) 0.1275(4) 0.102(6) Uani 1 1 d U . .
H19B H 0.4248 0.2757 0.1138 0.123 Uiso 1 1 calc R . .
H19C H 0.4434 0.2582 0.1418 0.123 Uiso 1 1 calc R . .
C191 C 0.4280(5) 0.2000(8) 0.0896(4) 0.085(5) Uani 1 1 d U . .
H19D H 0.4238 0.2269 0.0797 0.103 Uiso 1 1 calc R . .
C192 C 0.4317(7) 0.1575(10) 0.0737(5) 0.111(7) Uani 1 1 d U . .
C193 C 0.4229(9) 0.1691(14) 0.0450(6) 0.161(12) Uani 1 1 d U . .
H19E H 0.4149 0.1981 0.0391 0.193 Uiso 1 1 calc R . .
C194 C 0.4282(10) 0.1300(15) 0.0269(7) 0.167(12) Uani 1 1 d U . .
H19G H 0.4295 0.1364 0.0086 0.201 Uiso 1 1 calc R . .
C195 C 0.4315(9) 0.0815(14) 0.0353(5) 0.163(12) Uani 1 1 d DU . .
H19H H 0.4299 0.0570 0.0232 0.195 Uiso 1 1 calc R . .
C196 C 0.4375(6) 0.0761(8) 0.0638(4) 0.096(6) Uani 1 1 d DU . .
C197 C 0.4363(5) 0.1146(7) 0.0833(4) 0.083(5) Uani 1 1 d DU . .
C198 C 0.4495(7) 0.0014(11) 0.0549(5) 0.132(9) Uani 1 1 d U . .
H19J H 0.4266 -0.0042 0.0435 0.197 Uiso 1 1 calc R . .
H19K H 0.4571 -0.0264 0.0643 0.197 Uiso 1 1 calc R . .
H19L H 0.4695 0.0112 0.0440 0.197 Uiso 1 1 calc R . .
C199 C 0.2082(6) 0.4915(9) 0.3854(4) 0.102(6) Uani 1 1 d U . .
H19M H 0.1957 0.5182 0.3776 0.153 Uiso 1 1 calc R . .
H19N H 0.2253 0.5006 0.4005 0.153 Uiso 1 1 calc R . .
H19O H 0.1895 0.4705 0.3914 0.153 Uiso 1 1 calc R . .
C200 C 0.2579(6) 0.4955(8) 0.3536(4) 0.090(6) Uani 1 1 d U . .
C201 C 0.2672(6) 0.5402(9) 0.3634(5) 0.112(7) Uani 1 1 d DU . .
H20A H 0.2530 0.5562 0.3754 0.134 Uiso 1 1 calc R . .
C202 C 0.3025(8) 0.5589(12) 0.3521(6) 0.147(10) Uani 1 1 d DU . .
H20C H 0.3157 0.5837 0.3602 0.176 Uiso 1 1 calc R . .
C203 C 0.3145(8) 0.5388(10) 0.3298(5) 0.124(8) Uani 1 1 d U . .
H20D H 0.3332 0.5541 0.3209 0.148 Uiso 1 1 calc R . .
C204 C 0.3014(5) 0.4968(7) 0.3188(4) 0.079(5) Uani 1 1 d U . .
C205 C 0.2719(5) 0.4726(7) 0.3336(3) 0.073(5) Uani 1 1 d U . .
C206 C 0.3204(5) 0.4771(7) 0.2960(4) 0.082(5) Uani 1 1 d U . .
H20E H 0.3426 0.4922 0.2918 0.098 Uiso 1 1 calc R . .
C207 C 0.3367(4) 0.4299(6) 0.2603(3) 0.056(4) Uani 1 1 d U . .
H20F H 0.3531 0.4556 0.2565 0.067 Uiso 1 1 calc R . .
H20G H 0.3220 0.4214 0.2438 0.067 Uiso 1 1 calc R . .
C208 C 0.3614(4) 0.3878(6) 0.2716(3) 0.062(4) Uani 1 1 d U . .
H20H H 0.3782 0.3971 0.2870 0.074 Uiso 1 1 calc R . .
H20I H 0.3450 0.3632 0.2771 0.074 Uiso 1 1 calc R . .
C209 C 0.3847(4) 0.3719(6) 0.2483(3) 0.066(4) Uani 1 1 d U . .
H20J H 0.3678 0.3581 0.2342 0.079 Uiso 1 1 calc R . .
H20K H 0.3969 0.3983 0.2406 0.079 Uiso 1 1 calc R . .
C210 C 0.4146(4) 0.3372(6) 0.2581(3) 0.062(4) Uani 1 1 d U . .
H21A H 0.4029 0.3137 0.2687 0.075 Uiso 1 1 calc R . .
H21B H 0.4341 0.3526 0.2698 0.075 Uiso 1 1 calc R . .
C211 C 0.4336(4) 0.3141(6) 0.2342(3) 0.060(4) Uani 1 1 d U . .
H21C H 0.4150 0.2956 0.2236 0.072 Uiso 1 1 calc R . .
H21D H 0.4432 0.3375 0.2225 0.072 Uiso 1 1 calc R . .
C212 C 0.4667(4) 0.2834(5) 0.2456(3) 0.054(3) Uani 1 1 d U . .
H21E H 0.4875 0.3022 0.2534 0.065 Uiso 1 1 calc R . .
H21F H 0.4582 0.2632 0.2595 0.065 Uiso 1 1 calc R . .
C213 C 0.5052(4) 0.2736(7) 0.2087(3) 0.070(4) Uani 1 1 d U . .
H21G H 0.5147 0.3015 0.2155 0.084 Uiso 1 1 calc R . .
C214 C 0.5210(4) 0.2580(6) 0.1855(3) 0.066(4) Uani 1 1 d U . .
C215 C 0.5546(5) 0.2798(8) 0.1767(4) 0.091(6) Uani 1 1 d DU . .
H21H H 0.5651 0.3046 0.1865 0.109 Uiso 1 1 calc R . .
C216 C 0.5718(6) 0.2652(8) 0.1540(4) 0.093(6) Uani 1 1 d DU . .
H21I H 0.5929 0.2816 0.1489 0.111 Uiso 1 1 calc R . .
C217 C 0.5594(6) 0.2271(8) 0.1381(4) 0.094(6) Uani 1 1 d U . .
H21J H 0.5720 0.2176 0.1232 0.113 Uiso 1 1 calc R . .
C218 C 0.5258(5) 0.2036(7) 0.1463(4) 0.078(5) Uani 1 1 d U . .
C219 C 0.5078(4) 0.2188(6) 0.1697(3) 0.067(4) Uani 1 1 d U . .
C220 C 0.5320(6) 0.1474(9) 0.1114(4) 0.111(7) Uani 1 1 d U . .
H22D H 0.5592 0.1507 0.1142 0.167 Uiso 1 1 calc R . .
H22E H 0.5231 0.1639 0.0954 0.167 Uiso 1 1 calc R . .
H22F H 0.5256 0.1154 0.1094 0.167 Uiso 1 1 calc R . .
C221 C 0.2075(11) 0.4095(15) 0.4796(4) 0.206(16) Uani 1 1 d DU . .
H22G H 0.2103 0.4412 0.4848 0.309 Uiso 1 1 calc R . .
H22H H 0.2271 0.3915 0.4891 0.309 Uiso 1 1 calc R . .
H22I H 0.1830 0.3985 0.4841 0.309 Uiso 1 1 calc R . .
C222 C 0.2514(11) 0.4289(14) 0.4481(6) 0.182(14) Uani 1 1 d DU . .
C223 C 0.2631(12) 0.4740(15) 0.4587(9) 0.2274(5) Uani 1 1 d DU . .
H22K H 0.2452 0.4936 0.4656 0.273 Uiso 1 1 calc R . .
C224 C 0.3026(12) 0.4883(18) 0.4584(8) 0.2351(5) Uani 1 1 d DU . .
H22L H 0.3181 0.4989 0.4731 0.282 Uiso 1 1 calc R . .
C225 C 0.3136(10) 0.4828(12) 0.4308(7) 0.1848(5) Uani 1 1 d DU . .
H22M H 0.3322 0.5018 0.4242 0.222 Uiso 1 1 calc R . .
C226 C 0.2952(7) 0.4471(9) 0.4134(5) 0.109(7) Uani 1 1 d DU . .
C227 C 0.2604(7) 0.4212(10) 0.4205(5) 0.116(8) Uani 1 1 d DU . .
C228 C 0.3177(6) 0.4337(8) 0.3929(4) 0.095(6) Uani 1 1 d U . .
H22N H 0.3427 0.4445 0.3938 0.115 Uiso 1 1 calc R . .
C229 C 0.3371(5) 0.4021(7) 0.3527(3) 0.072(4) Uani 1 1 d U . .
H22O H 0.3536 0.4290 0.3529 0.087 Uiso 1 1 calc R . .
H22P H 0.3252 0.3983 0.3345 0.087 Uiso 1 1 calc R . .
C230 C 0.3612(4) 0.3575(6) 0.3615(3) 0.062(4) Uani 1 1 d U . .
H23D H 0.3766 0.3639 0.3781 0.074 Uiso 1 1 calc R . .
H23E H 0.3439 0.3326 0.3651 0.074 Uiso 1 1 calc R . .
C231 C 0.3872(5) 0.3422(6) 0.3396(3) 0.070(4) Uani 1 1 d U . .
H23F H 0.3716 0.3355 0.3232 0.084 Uiso 1 1 calc R . .
H23G H 0.4040 0.3675 0.3358 0.084 Uiso 1 1 calc R . .
C232 C 0.4106(4) 0.3015(6) 0.3471(3) 0.058(4) Uani 1 1 d U . .
H23H H 0.3940 0.2782 0.3539 0.070 Uiso 1 1 calc R . .
H23I H 0.4288 0.3101 0.3619 0.070 Uiso 1 1 calc R . .
C233 C 0.4318(4) 0.2805(6) 0.3257(3) 0.061(4) Uani 1 1 d U . .
H23J H 0.4441 0.3044 0.3158 0.074 Uiso 1 1 calc R . .
H23K H 0.4141 0.2642 0.3131 0.074 Uiso 1 1 calc R . .
C234 C 0.4623(4) 0.2465(6) 0.3380(3) 0.067(4) Uani 1 1 d U . .
H23L H 0.4818 0.2634 0.3488 0.081 Uiso 1 1 calc R . .
H23M H 0.4505 0.2249 0.3498 0.081 Uiso 1 1 calc R . .
C235 C 0.5132(5) 0.2341(7) 0.3116(4) 0.082(5) Uani 1 1 d U . .
H23N H 0.5240 0.2572 0.3226 0.098 Uiso 1 1 calc R . .
C236 C 0.5369(5) 0.2179(6) 0.2911(3) 0.069(4) Uani 1 1 d U . .
C237 C 0.5754(5) 0.2319(7) 0.2924(4) 0.081(5) Uani 1 1 d U . .
H23O H 0.5856 0.2492 0.3070 0.097 Uiso 1 1 calc R . .
C238 C 0.5962(6) 0.2202(8) 0.2729(4) 0.094(6) Uani 1 1 d U . .
H23P H 0.6215 0.2300 0.2746 0.113 Uiso 1 1 calc R . .
C239 C 0.5856(5) 0.1952(7) 0.2502(3) 0.072(4) Uani 1 1 d U . .
H23Q H 0.6036 0.1864 0.2383 0.087 Uiso 1 1 calc R . .
C240 C 0.5467(5) 0.1827(6) 0.2452(3) 0.068(4) Uani 1 1 d U . .
C241 C 0.5233(5) 0.1933(7) 0.2672(3) 0.074(5) Uani 1 1 d U . .
C242 C 0.5542(4) 0.1462(6) 0.2052(3) 0.070(4) Uani 1 1 d U . .
H24A H 0.5703 0.1704 0.1994 0.105 Uiso 1 1 calc R . .
H24B H 0.5391 0.1341 0.1899 0.105 Uiso 1 1 calc R . .
H24C H 0.5696 0.1221 0.2135 0.105 Uiso 1 1 calc R . .
C243 C 0.0269(6) 0.2861(9) 0.4104(4) 0.102(6) Uani 1 1 d DU . .
H24D H 0.0074 0.3070 0.4154 0.153 Uiso 1 1 calc R . .
H24E H 0.0230 0.2567 0.4186 0.153 Uiso 1 1 calc R . .
H24F H 0.0255 0.2827 0.3911 0.153 Uiso 1 1 calc R . .
C244 C 0.0635(8) 0.3037(13) 0.4197(6) 0.1598(4) Uani 1 1 d DU . .
C245 C 0.0500(4) 0.2696(6) 0.3266(3) 0.054(3) Uani 1 1 d U . .
H24G H 0.0704 0.2886 0.3211 0.081 Uiso 1 1 calc R . .
H24H H 0.0299 0.2888 0.3323 0.081 Uiso 1 1 calc R . .
H24I H 0.0404 0.2509 0.3116 0.081 Uiso 1 1 calc R . .
C246 C 0.0637(4) 0.2406(6) 0.3484(3) 0.059(4) Uani 1 1 d U . .
C247 C 0.1024(4) 0.2373(6) 0.2504(3) 0.063(4) Uani 1 1 d U . .
H24J H 0.1003 0.2399 0.2310 0.095 Uiso 1 1 calc R . .
H24K H 0.1287 0.2388 0.2569 0.095 Uiso 1 1 calc R . .
H24L H 0.0887 0.2622 0.2581 0.095 Uiso 1 1 calc R . .
C248 C 0.0855(4) 0.1918(5) 0.2586(3) 0.046(3) Uani 1 1 d U . .
C249 C -0.0866(6) 0.2880(9) 0.3898(4) 0.100(6) Uani 1 1 d U . .
H24M H -0.0729 0.3162 0.3936 0.149 Uiso 1 1 calc R . .
H24N H -0.0922 0.2736 0.4065 0.149 Uiso 1 1 calc R . .
H24O H -0.1100 0.2947 0.3793 0.149 Uiso 1 1 calc R . .
C250 C -0.0634(6) 0.2572(9) 0.3746(4) 0.091(6) Uani 1 1 d U . .
C251 C 0.1492(4) 0.1393(6) 0.3288(3) 0.067(4) Uani 1 1 d U . .
H25B H 0.1723 0.1488 0.3389 0.100 Uiso 1 1 calc R . .
H25C H 0.1433 0.1604 0.3143 0.100 Uiso 1 1 calc R . .
H25D H 0.1526 0.1090 0.3216 0.100 Uiso 1 1 calc R . .
C252 C 0.1165(5) 0.1386(7) 0.3476(4) 0.072(4) Uani 1 1 d U . .
C253 C -0.0111(4) 0.2084(6) 0.2624(3) 0.065(4) Uani 1 1 d U . .
H25E H 0.0067 0.1877 0.2550 0.097 Uiso 1 1 calc R . .
H25F H -0.0030 0.2396 0.2600 0.097 Uiso 1 1 calc R . .
H25G H -0.0359 0.2040 0.2534 0.097 Uiso 1 1 calc R . .
C254 C -0.0127(4) 0.1989(6) 0.2915(3) 0.054(3) Uani 1 1 d U . .
C255 C 0.1525(4) 0.0481(6) 0.2462(3) 0.059(4) Uani 1 1 d U . .
H25H H 0.1680 0.0469 0.2630 0.088 Uiso 1 1 calc R . .
H25I H 0.1646 0.0675 0.2337 0.088 Uiso 1 1 calc R . .
H25J H 0.1496 0.0177 0.2389 0.088 Uiso 1 1 calc R . .
C256 C 0.1123(3) 0.0682(5) 0.2514(2) 0.041(3) Uani 1 1 d U . .
C257 C 0.0239(4) 0.2674(5) 0.1927(2) 0.049(3) Uani 1 1 d U . .
H25K H 0.0246 0.2677 0.2121 0.073 Uiso 1 1 calc R . .
H25L H 0.0029 0.2859 0.1855 0.073 Uiso 1 1 calc R . .
H25M H 0.0473 0.2798 0.1870 0.073 Uiso 1 1 calc R . .
C258 C 0.0190(4) 0.2192(6) 0.1827(3) 0.061(4) Uani 1 1 d U . .
C259 C 0.1383(4) 0.1573(6) 0.1951(3) 0.061(4) Uani 1 1 d DU . .
H25N H 0.1570 0.1796 0.1905 0.091 Uiso 1 1 calc R . .
H25O H 0.1496 0.1272 0.1956 0.091 Uiso 1 1 calc R . .
H25P H 0.1296 0.1645 0.2126 0.091 Uiso 1 1 calc R . .
C260 C 0.1066(3) 0.1583(5) 0.1753(2) 0.043(3) Uani 1 1 d DU . .
C261 C -0.1044(8) 0.2697(15) 0.1207(7) 0.197(15) Uani 1 1 d DU . .
H26B H -0.1133 0.3003 0.1167 0.295 Uiso 1 1 calc R . .
H26C H -0.1114 0.2609 0.1384 0.295 Uiso 1 1 calc R . .
H26D H -0.1158 0.2487 0.1075 0.295 Uiso 1 1 calc R . .
C262 C -0.0623(6) 0.2682(9) 0.1200(5) 0.104(7) Uani 1 1 d DU . .
C263 C 0.0821(5) 0.3686(7) 0.1439(3) 0.074(5) Uani 1 1 d U . .
H26E H 0.1030 0.3761 0.1332 0.111 Uiso 1 1 calc R . .
H26F H 0.0917 0.3614 0.1620 0.111 Uiso 1 1 calc R . .
H26G H 0.0651 0.3945 0.1442 0.111 Uiso 1 1 calc R . .
C264 C 0.0610(5) 0.3280(7) 0.1318(3) 0.074(5) Uani 1 1 d U . .
C265 C 0.2586(4) 0.2079(7) 0.1722(4) 0.075(5) Uani 1 1 d U . .
H26H H 0.2496 0.1770 0.1746 0.113 Uiso 1 1 calc R . .
H26I H 0.2679 0.2202 0.1894 0.113 Uiso 1 1 calc R . .
H26J H 0.2788 0.2075 0.1601 0.113 Uiso 1 1 calc R . .
C266 C 0.2269(4) 0.2368(6) 0.1606(3) 0.057(4) Uani 1 1 d U . .
C267 C 0.1323(4) 0.3390(6) 0.2169(3) 0.063(4) Uani 1 1 d U . .
H26K H 0.1092 0.3292 0.2244 0.095 Uiso 1 1 calc R . .
H26L H 0.1292 0.3699 0.2101 0.095 Uiso 1 1 calc R . .
H26M H 0.1529 0.3383 0.2308 0.095 Uiso 1 1 calc R . .
C268 C 0.1413(4) 0.3077(6) 0.1946(3) 0.052(3) Uani 1 1 d U . .
C269 C 0.2435(5) 0.3070(7) 0.2290(3) 0.073(4) Uani 1 1 d U . .
H26N H 0.2465 0.3067 0.2484 0.110 Uiso 1 1 calc R . .
H26O H 0.2606 0.2851 0.2219 0.110 Uiso 1 1 calc R . .
H26P H 0.2177 0.2990 0.2231 0.110 Uiso 1 1 calc R . .
C270 C 0.2528(5) 0.3568(7) 0.2183(4) 0.069(4) Uani 1 1 d U . .
C271 C 0.1454(4) 0.4674(6) 0.1994(3) 0.064(4) Uani 1 1 d U . .
H27B H 0.1228 0.4514 0.1927 0.096 Uiso 1 1 calc R . .
H27C H 0.1448 0.4983 0.1926 0.096 Uiso 1 1 calc R . .
H27D H 0.1467 0.4679 0.2188 0.096 Uiso 1 1 calc R . .
C272 C 0.1794(3) 0.4434(5) 0.1903(2) 0.043(3) Uani 1 1 d U . .
C273 C 0.1769(5) 0.4791(7) 0.3001(3) 0.076(5) Uani 1 1 d U . .
H27E H 0.1690 0.4475 0.2998 0.114 Uiso 1 1 calc R . .
H27F H 0.1552 0.4987 0.3019 0.114 Uiso 1 1 calc R . .
H27G H 0.1953 0.4841 0.3151 0.114 Uiso 1 1 calc R . .
C274 C 0.1948(5) 0.4904(7) 0.2739(3) 0.068(4) Uani 1 1 d U . .
C275 C 0.3006(5) 0.2635(6) 0.3167(3) 0.064(4) Uani 1 1 d U . .
H27H H 0.3031 0.2515 0.3348 0.096 Uiso 1 1 calc R . .
H27I H 0.3249 0.2625 0.3090 0.096 Uiso 1 1 calc R . .
H27J H 0.2825 0.2452 0.3059 0.096 Uiso 1 1 calc R . .
C276 C 0.2866(4) 0.3133(6) 0.3172(3) 0.065(4) Uani 1 1 d U . .
C277 C 0.1434(4) 0.3381(6) 0.2959(3) 0.065(4) Uani 1 1 d U . .
H27K H 0.1313 0.3369 0.2779 0.097 Uiso 1 1 calc R . .
H27L H 0.1291 0.3582 0.3068 0.097 Uiso 1 1 calc R . .
H27M H 0.1441 0.3078 0.3036 0.097 Uiso 1 1 calc R . .
C278 C 0.1847(5) 0.3568(6) 0.2950(3) 0.066(4) Uani 1 1 d U . .
C279 C 0.1057(5) 0.3886(8) 0.3630(4) 0.087(5) Uani 1 1 d U . .
H27N H 0.0873 0.3756 0.3742 0.130 Uiso 1 1 calc R . .
H27O H 0.1047 0.3728 0.3459 0.130 Uiso 1 1 calc R . .
H27P H 0.1001 0.4206 0.3600 0.130 Uiso 1 1 calc R . .
C280 C 0.1434(6) 0.3839(8) 0.3763(4) 0.094(6) Uani 1 1 d U . .
C281 C 0.1933(6) 0.2516(8) 0.3467(4) 0.099(6) Uani 1 1 d U . .
H28A H 0.1769 0.2254 0.3480 0.149 Uiso 1 1 calc R . .
H28B H 0.2178 0.2416 0.3417 0.149 Uiso 1 1 calc R . .
H28C H 0.1823 0.2724 0.3332 0.149 Uiso 1 1 calc R . .
C282 C 0.1977(4) 0.2760(5) 0.3739(3) 0.054(3) Uani 1 1 d U . .
C283 C 0.5122(4) 0.0704(6) 0.2697(3) 0.062(4) Uani 1 1 d U . .
H28D H 0.4942 0.0911 0.2607 0.093 Uiso 1 1 calc R . .
H28E H 0.5024 0.0395 0.2684 0.093 Uiso 1 1 calc R . .
H28F H 0.5360 0.0720 0.2614 0.093 Uiso 1 1 calc R . .
C284 C 0.5181(4) 0.0831(5) 0.2979(3) 0.050(3) Uani 1 1 d U . .
C285 C 0.6085(6) -0.0120(9) 0.3975(4) 0.105(7) Uani 1 1 d U . .
H28G H 0.5963 -0.0414 0.3989 0.158 Uiso 1 1 calc R . .
H28H H 0.6150 -0.0001 0.4153 0.158 Uiso 1 1 calc R . .
H28I H 0.6312 -0.0155 0.3880 0.158 Uiso 1 1 calc R . .
C286 C 0.5805(5) 0.0221(8) 0.3816(4) 0.084(5) Uani 1 1 d U . .
C287 C 0.4592(4) 0.0077(6) 0.3323(3) 0.065(4) Uani 1 1 d U . .
H28J H 0.4831 0.0175 0.3261 0.097 Uiso 1 1 calc R . .
H28K H 0.4394 0.0120 0.3182 0.097 Uiso 1 1 calc R . .
H28L H 0.4607 -0.0243 0.3372 0.097 Uiso 1 1 calc R . .
C288 C 0.4508(3) 0.0347(5) 0.3557(2) 0.044(3) Uani 1 1 d U . .
C289 C 0.3608(4) 0.1363(6) 0.3296(3) 0.066(4) Uani 1 1 d U . .
H28M H 0.3377 0.1366 0.3389 0.098 Uiso 1 1 calc R . .
H28N H 0.3614 0.1090 0.3187 0.098 Uiso 1 1 calc R . .
H28O H 0.3617 0.1630 0.3183 0.098 Uiso 1 1 calc R . .
C290 C 0.3946(4) 0.1364(6) 0.3500(3) 0.063(4) Uani 1 1 d U . .
C291 C 0.4944(4) -0.0025(6) 0.4195(3) 0.055(4) Uani 1 1 d U . .
C292 C 0.4637(4) -0.0286(6) 0.4297(3) 0.062(4) Uani 1 1 d U . .
C293 C 0.3207(4) 0.0280(6) 0.3534(3) 0.070(4) Uani 1 1 d U . .
H29A H 0.3402 0.0511 0.3555 0.105 Uiso 1 1 calc R . .
H29B H 0.2963 0.0426 0.3501 0.105 Uiso 1 1 calc R . .
H29C H 0.3254 0.0084 0.3384 0.105 Uiso 1 1 calc R . .
C294 C 0.3208(4) 0.0001(6) 0.3784(3) 0.057(4) Uani 1 1 d U . .
C295 C 0.4178(9) -0.2073(8) 0.4864(6) 0.152(11) Uani 1 1 d DU . .
H29D H 0.4406 -0.2096 0.4983 0.228 Uiso 1 1 calc R . .
H29E H 0.4179 -0.2308 0.4728 0.228 Uiso 1 1 calc R . .
H29F H 0.3959 -0.2113 0.4968 0.228 Uiso 1 1 calc R . .
C296 C 0.4161(4) -0.1607(6) 0.4731(3) 0.058(4) Uani 1 1 d DU . .
C297 C 0.4101(5) -0.1123(7) 0.3768(3) 0.076(5) Uani 1 1 d U . .
H29G H 0.4088 -0.1207 0.3580 0.114 Uiso 1 1 calc R . .
H29H H 0.4225 -0.1364 0.3874 0.114 Uiso 1 1 calc R . .
H29I H 0.4244 -0.0843 0.3793 0.114 Uiso 1 1 calc R . .
C298 C 0.3712(5) -0.1055(7) 0.3854(4) 0.074(5) Uani 1 1 d U . .
C299 C 0.3646(4) -0.0488(7) 0.2989(3) 0.076(5) Uani 1 1 d U . .
H29J H 0.3725 -0.0451 0.2809 0.114 Uiso 1 1 calc R . .
H29K H 0.3817 -0.0695 0.3088 0.114 Uiso 1 1 calc R . .
H29L H 0.3651 -0.0194 0.3078 0.114 Uiso 1 1 calc R . .
C300 C 0.3247(5) -0.0680(6) 0.2977(3) 0.065(4) Uani 1 1 d U . .
C301 C 0.2104(5) 0.0201(6) 0.3156(4) 0.083(5) Uani 1 1 d DU . .
H30B H 0.2021 0.0322 0.2981 0.125 Uiso 1 1 calc R . .
H30C H 0.2304 0.0392 0.3237 0.125 Uiso 1 1 calc R . .
H30D H 0.1894 0.0198 0.3269 0.125 Uiso 1 1 calc R . .
C302 C 0.2244(4) -0.0258(6) 0.3127(3) 0.064(4) Uani 1 1 d DU . .
C303 C 0.3393(6) -0.1809(9) 0.2933(4) 0.108(7) Uani 1 1 d U . .
H30E H 0.3310 -0.1518 0.3000 0.162 Uiso 1 1 calc R . .
H30F H 0.3653 -0.1785 0.2888 0.162 Uiso 1 1 calc R . .
H30G H 0.3373 -0.2040 0.3070 0.162 Uiso 1 1 calc R . .
C304 C 0.3136(7) -0.1944(10) 0.2675(5) 0.110(7) Uani 1 1 d U . .
C305 C 0.3052(8) -0.3584(9) 0.1903(5) 0.140(10) Uani 1 1 d DU . .
H30H H 0.3317 -0.3664 0.1935 0.210 Uiso 1 1 calc R . .
H30I H 0.2986 -0.3575 0.1711 0.210 Uiso 1 1 calc R . .
H30J H 0.2898 -0.3809 0.1985 0.210 Uiso 1 1 calc R . .
C306 C 0.2982(5) -0.3103(9) 0.2027(5) 0.127(8) Uani 1 1 d DU . .
C307 C 0.3492(5) -0.1812(7) 0.1838(4) 0.084(5) Uani 1 1 d U . .
H30K H 0.3685 -0.1656 0.1745 0.126 Uiso 1 1 calc R . .
H30L H 0.3467 -0.2123 0.1772 0.126 Uiso 1 1 calc R . .
H30M H 0.3562 -0.1815 0.2029 0.126 Uiso 1 1 calc R . .
C308 C 0.3133(4) -0.1575(6) 0.1788(3) 0.062(4) Uani 1 1 d U . .
C309 C 0.2590(5) -0.0203(6) 0.2249(3) 0.069(4) Uani 1 1 d U . .
H30N H 0.2639 0.0015 0.2110 0.104 Uiso 1 1 calc R . .
H30O H 0.2816 -0.0240 0.2368 0.104 Uiso 1 1 calc R . .
H30P H 0.2386 -0.0093 0.2351 0.104 Uiso 1 1 calc R . .
C310 C 0.2475(4) -0.0679(6) 0.2117(3) 0.058(4) Uani 1 1 d U . .
C311 C 0.3619(6) -0.0502(9) 0.2126(4) 0.107(7) Uani 1 1 d U . .
H31C H 0.3853 -0.0398 0.2219 0.160 Uiso 1 1 calc R . .
H31D H 0.3650 -0.0811 0.2064 0.160 Uiso 1 1 calc R . .
H31E H 0.3419 -0.0493 0.2248 0.160 Uiso 1 1 calc R . .
C312 C 0.3519(5) -0.0199(7) 0.1893(3) 0.068(4) Uani 1 1 d U . .
C313 C 0.2294(4) 0.0821(6) 0.1699(3) 0.070(4) Uani 1 1 d U . .
H31F H 0.2069 0.0645 0.1726 0.105 Uiso 1 1 calc R . .
H31G H 0.2231 0.1072 0.1578 0.105 Uiso 1 1 calc R . .
H31H H 0.2396 0.0941 0.1870 0.105 Uiso 1 1 calc R . .
C314 C 0.2587(4) 0.0518(6) 0.1581(3) 0.055(4) Uani 1 1 d U . .
C315 C 0.3981(6) -0.0766(8) 0.1342(4) 0.109(7) Uani 1 1 d DU . .
H31I H 0.3712 -0.0702 0.1323 0.164 Uiso 1 1 calc R . .
H31J H 0.4049 -0.0873 0.1523 0.164 Uiso 1 1 calc R . .
H31K H 0.4041 -0.0999 0.1215 0.164 Uiso 1 1 calc R . .
C316 C 0.4190(6) -0.0354(8) 0.1292(4) 0.091(6) Uani 1 1 d DU . .
C317 C 0.5857(7) 0.0216(12) 0.1167(6) 0.152(11) Uani 1 1 d DU . .
H31L H 0.5934 0.0312 0.0994 0.229 Uiso 1 1 calc R . .
H31M H 0.5939 -0.0095 0.1201 0.229 Uiso 1 1 calc R . .
H31N H 0.5970 0.0414 0.1305 0.229 Uiso 1 1 calc R . .
C318 C 0.5434(7) 0.0241(7) 0.1167(6) 0.126(9) Uani 1 1 d DU . .
C319 C 0.4696(5) 0.0204(6) 0.1920(3) 0.072(4) Uani 1 1 d U . .
H31O H 0.4730 0.0169 0.2113 0.108 Uiso 1 1 calc R . .
H31P H 0.4895 0.0042 0.1837 0.108 Uiso 1 1 calc R . .
H31Q H 0.4453 0.0081 0.1856 0.108 Uiso 1 1 calc R . .
C320 C 0.4714(4) 0.0698(6) 0.1850(4) 0.062(4) Uani 1 1 d U . .
C321 C 0.3512(5) 0.1249(7) 0.1956(3) 0.078(5) Uani 1 1 d U . .
H32B H 0.3316 0.1037 0.1893 0.117 Uiso 1 1 calc R . .
H32C H 0.3405 0.1550 0.1971 0.117 Uiso 1 1 calc R . .
H32D H 0.3622 0.1151 0.2129 0.117 Uiso 1 1 calc R . .
C322 C 0.3810(4) 0.1262(6) 0.1762(3) 0.057(4) Uani 1 1 d U . .
C323 C 0.3989(5) 0.0440(7) 0.2511(3) 0.074(5) Uani 1 1 d U . .
H32E H 0.3923 0.0257 0.2662 0.111 Uiso 1 1 calc R . .
H32F H 0.4174 0.0277 0.2414 0.111 Uiso 1 1 calc R . .
H32G H 0.3765 0.0496 0.2393 0.111 Uiso 1 1 calc R . .
C324 C 0.4155(4) 0.0891(5) 0.2611(3) 0.053(3) Uani 1 1 d U . .
C325 C 0.3463(4) 0.2308(7) 0.2501(3) 0.069(4) Uani 1 1 d U . .
H32H H 0.3344 0.2312 0.2670 0.104 Uiso 1 1 calc R . .
H32I H 0.3322 0.2110 0.2376 0.104 Uiso 1 1 calc R . .
H32J H 0.3466 0.2614 0.2429 0.104 Uiso 1 1 calc R . .
C326 C 0.3869(4) 0.2132(5) 0.2548(3) 0.054(3) Uani 1 1 d U . .
C327 C 0.2014(12) 0.6404(10) 0.1821(8) 0.218(18) Uani 1 1 d DU . .
H32K H 0.2101 0.6617 0.1961 0.328 Uiso 1 1 calc R . .
H32L H 0.1768 0.6499 0.1744 0.328 Uiso 1 1 calc R . .
H32M H 0.2192 0.6399 0.1683 0.328 Uiso 1 1 calc R . .
C328 C 0.1985(5) 0.5925(8) 0.1942(4) 0.087(5) Uani 1 1 d DU . .
O45 O 0.0590(6) 0.3431(9) 0.4343(4) 0.1682(4) Uani 1 1 d U . .
O46 O 0.0994(3) 0.2922(5) 0.4174(2) 0.076(3) Uani 1 1 d U . .
O47 O 0.0968(3) 0.2493(4) 0.36081(17) 0.054(2) Uani 1 1 d U . .
O48 O 0.0409(3) 0.2121(4) 0.35946(16) 0.052(2) Uani 1 1 d U . .
O49 O -0.0378(4) 0.2771(6) 0.3590(3) 0.107(4) Uani 1 1 d U . .
O50 O -0.0684(4) 0.2177(6) 0.3754(3) 0.093(4) Uani 1 1 d U . .
O51 O 0.0833(2) 0.1269(3) 0.33750(17) 0.050(2) Uani 1 1 d U . .
O52 O 0.1228(3) 0.1515(4) 0.3707(2) 0.071(3) Uani 1 1 d U . .
O53 O 0.0068(3) 0.1671(4) 0.30436(17) 0.055(2) Uani 1 1 d U . .
O54 O -0.0353(3) 0.2237(4) 0.30501(19) 0.063(3) Uani 1 1 d U . .
O55 O 0.0735(3) 0.1636(4) 0.24182(17) 0.055(2) Uani 1 1 d U . .
O56 O 0.0868(3) 0.1851(4) 0.2841(2) 0.067(3) Uani 1 1 d U . .
O57 O 0.0910(2) 0.0709(4) 0.23017(19) 0.053(2) Uani 1 1 d U . .
O58 O 0.1065(2) 0.0780(3) 0.27384(17) 0.047(2) Uani 1 1 d U . .
O59 O 0.0180(3) 0.1873(4) 0.19960(19) 0.057(2) Uani 1 1 d U . .
O60 O 0.0173(2) 0.2106(4) 0.15648(17) 0.054(2) Uani 1 1 d U . .
O61 O 0.1049(2) 0.1840(4) 0.15456(17) 0.052(2) Uani 1 1 d U . .
O62 O 0.0790(3) 0.1312(4) 0.1780(2) 0.061(3) Uani 1 1 d U . .
O63 O -0.0487(4) 0.2575(6) 0.0993(3) 0.110(5) Uani 1 1 d U . .
O64 O -0.0449(4) 0.2832(6) 0.1413(3) 0.106(4) Uani 1 1 d U . .
O65 O 0.0741(2) 0.2862(4) 0.13455(17) 0.051(2) Uani 1 1 d U . .
O66 O 0.0271(3) 0.3310(4) 0.1201(2) 0.071(3) Uani 1 1 d U . .
O67 O 0.1716(3) 0.3156(4) 0.18244(19) 0.058(2) Uani 1 1 d U . .
O68 O 0.1199(3) 0.2761(4) 0.18741(16) 0.051(2) Uani 1 1 d U . .
O69 O 0.2346(2) 0.2790(3) 0.15621(17) 0.050(2) Uani 1 1 d U . .
O70 O 0.1953(2) 0.2190(3) 0.15614(17) 0.048(2) Uani 1 1 d U . .
O71 O 0.2115(3) 0.4628(3) 0.19863(18) 0.054(2) Uani 1 1 d U . .
O72 O 0.1773(2) 0.4127(3) 0.17412(18) 0.049(2) Uani 1 1 d U . .
O73 O 0.2504(3) 0.3618(4) 0.1931(2) 0.059(2) Uani 1 1 d U . .
O74 O 0.2616(3) 0.3860(4) 0.2346(2) 0.062(3) Uani 1 1 d U . .
O75 O 0.1867(3) 0.5317(4) 0.2636(2) 0.076(3) Uani 1 1 d U . .
O76 O 0.2224(3) 0.4701(4) 0.2672(2) 0.069(3) Uani 1 1 d U . .
O77 O 0.1967(3) 0.3679(4) 0.2741(2) 0.064(3) Uani 1 1 d U . .
O78 O 0.2011(4) 0.3585(5) 0.3185(3) 0.091(4) Uani 1 1 d U . .
O79 O 0.2821(3) 0.3316(3) 0.29310(17) 0.052(2) Uani 1 1 d U . .
O80 O 0.2774(3) 0.3304(4) 0.3390(2) 0.063(3) Uani 1 1 d U . .
O81 O 0.1511(4) 0.3674(7) 0.4006(3) 0.125(5) Uani 1 1 d U . .
O82 O 0.1762(4) 0.3984(5) 0.3670(3) 0.097(4) Uani 1 1 d U . .
O83 O 0.2182(3) 0.3123(4) 0.3768(2) 0.067(3) Uani 1 1 d U . .
O84 O 0.1787(3) 0.2632(4) 0.3930(2) 0.071(3) Uani 1 1 d U . .
O85 O 0.4994(3) 0.1102(4) 0.30984(19) 0.058(2) Uani 1 1 d U . .
O86 O 0.5432(3) 0.0555(4) 0.3122(2) 0.066(3) Uani 1 1 d U . .
O87 O 0.5855(4) 0.0655(6) 0.3824(3) 0.093(4) Uani 1 1 d U . .
O88 O 0.5545(3) 0.0026(5) 0.3684(2) 0.086(4) Uani 1 1 d U . .
O89 O 0.4270(2) 0.1479(4) 0.34133(17) 0.054(2) Uani 1 1 d U . .
O90 O 0.3923(3) 0.1227(4) 0.37361(19) 0.063(3) Uani 1 1 d U . .
O91 O 0.4195(3) 0.0246(4) 0.36580(18) 0.059(3) Uani 1 1 d U . .
O92 O 0.4737(2) 0.0652(4) 0.36608(17) 0.052(2) Uani 1 1 d U . .
O93 O 0.4285(3) -0.0135(4) 0.42556(18) 0.058(2) Uani 1 1 d U . .
O94 O 0.4694(3) -0.0674(4) 0.4400(2) 0.070(3) Uani 1 1 d U . .
O95 O 0.2963(3) -0.0343(4) 0.38017(18) 0.056(2) Uani 1 1 d U . .
O96 O 0.3430(3) 0.0060(4) 0.39667(19) 0.058(2) Uani 1 1 d U . .
O97 O 0.3433(3) -0.1129(4) 0.3694(2) 0.073(3) Uani 1 1 d U . .
O98 O 0.3675(3) -0.0940(4) 0.40992(19) 0.059(2) Uani 1 1 d U . .
O99 O 0.3107(3) -0.0743(4) 0.3195(2) 0.063(3) Uani 1 1 d U . .
O100 O 0.3095(3) -0.0783(4) 0.2760(2) 0.066(3) Uani 1 1 d U . .
O101 O 0.2272(3) -0.0457(4) 0.2893(2) 0.064(3) Uani 1 1 d U . .
O102 O 0.2373(3) -0.0481(4) 0.3345(2) 0.065(3) Uani 1 1 d U . .
O103 O 0.2831(3) -0.1789(5) 0.2608(2) 0.076(3) Uani 1 1 d U . .
O104 O 0.3248(6) -0.2279(9) 0.2542(4) 0.157(7) Uani 1 1 d U . .
O105 O 0.2892(6) -0.2807(8) 0.1850(4) 0.170(8) Uani 1 1 d DU . .
O106 O 0.3008(6) -0.3001(9) 0.2284(4) 0.176(8) Uani 1 1 d DU . .
O107 O 0.2458(3) -0.0739(4) 0.18722(19) 0.056(2) Uani 1 1 d U . .
O108 O 0.2398(3) -0.1006(4) 0.2280(2) 0.064(3) Uani 1 1 d U . .
O109 O 0.2834(3) -0.1726(4) 0.1894(2) 0.076(3) Uani 1 1 d U . .
O110 O 0.3110(3) -0.1254(4) 0.1619(2) 0.071(3) Uani 1 1 d U . .
O111 O 0.3216(3) -0.0271(4) 0.1744(2) 0.072(3) Uani 1 1 d U . .
O112 O 0.3716(3) 0.0136(4) 0.1838(2) 0.071(3) Uani 1 1 d U . .
O113 O 0.4044(3) 0.0030(4) 0.1309(2) 0.073(3) Uani 1 1 d U . .
O114 O 0.4513(4) -0.0416(5) 0.1212(3) 0.090(4) Uani 1 1 d U . .
O115 O 0.2895(3) 0.0711(4) 0.1537(2) 0.064(3) Uani 1 1 d U . .
O116 O 0.2499(3) 0.0111(4) 0.1532(2) 0.066(3) Uani 1 1 d U . .
O117 O 0.3783(3) 0.1054(4) 0.1547(2) 0.060(3) Uani 1 1 d U . .
O118 O 0.4091(3) 0.1541(4) 0.18252(19) 0.057(2) Uani 1 1 d U . .
O119 O 0.5293(5) 0.0123(7) 0.1392(3) 0.127(5) Uani 1 1 d DU . .
O120 O 0.5236(5) 0.0321(7) 0.0971(4) 0.140(6) Uani 1 1 d DU . .
O121 O 0.4674(3) 0.0777(4) 0.1605(2) 0.068(3) Uani 1 1 d U . .
O122 O 0.4746(3) 0.0959(5) 0.2029(2) 0.072(3) Uani 1 1 d U . .
O123 O 0.4253(3) 0.1170(4) 0.24352(19) 0.060(3) Uani 1 1 d U . .
O124 O 0.4167(2) 0.0930(3) 0.28543(19) 0.052(2) Uani 1 1 d U . .
O125 O 0.4059(3) 0.2108(4) 0.2345(2) 0.061(3) Uani 1 1 d U . .
O126 O 0.3966(2) 0.2011(4) 0.27888(19) 0.060(3) Uani 1 1 d U . .
O127 O 0.4119(5) -0.1660(8) 0.4486(4) 0.143(6) Uani 1 1 d U . .
O128 O 0.4126(4) -0.1303(7) 0.4869(3) 0.111(5) Uani 1 1 d U . .
O129 O 0.2238(5) 0.5895(6) 0.2127(3) 0.122(5) Uani 1 1 d DU . .
O130 O 0.1881(7) 0.5638(9) 0.1763(5) 0.192(9) Uani 1 1 d DU . .


_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
Yb1 O69 2.306(9) . ?
Yb1 O26 2.308(9) . ?
Yb1 O30 2.315(9) . ?
Yb1 O67 2.323(10) . ?
Yb1 O72 2.392(9) . ?
Yb1 O73 2.434(10) . ?
Yb1 O25 2.555(9) . ?
Yb1 N15 2.601(12) . ?
Yb1 Cd1 3.6391(16) . ?
Yb1 Cd12 3.8189(14) . ?
Yb2 O80 2.258(12) . ?
Yb2 O42 2.326(12) . ?
Yb2 O82 2.337(13) . ?
Yb2 O78 2.373(13) . ?
Yb2 O38 2.376(11) . ?
Yb2 O83 2.376(10) . ?
Yb2 N21 2.568(12) . ?
Yb2 O37 2.586(15) . ?
Yb2 C205 3.139(18) . ?
Yb2 Cd4 3.6835(19) . ?
Yb2 Cd3 3.8845(17) . ?
Yb3 O14 2.292(8) . ?
Yb3 O57 2.331(9) . ?
Yb3 O18 2.342(9) . ?
Yb3 O55 2.369(9) . ?
Yb3 O59 2.390(10) . ?
Yb3 O62 2.456(9) . ?
Yb3 N9 2.560(13) . ?
Yb3 O13 2.591(9) . ?
Yb3 Cd10 3.6808(14) . ?
Yb3 Cd9 3.8741(15) . ?
Yb4 O102 2.282(11) . ?
Yb4 O19 2.310(12) . ?
Yb4 O99 2.316(10) . ?
Yb4 O95 2.390(10) . ?
Yb4 O97 2.397(11) . ?
Yb4 O15 2.402(9) . ?
Yb4 O20 2.522(12) . ?
Yb4 N8 2.597(12) . ?
Yb4 C109 3.18(2) . ?
Yb4 Cd13 3.6895(16) . ?
Yb5 O125 2.320(10) . ?
Yb5 O43 2.320(9) . ?
Yb5 O39 2.321(9) . ?
Yb5 O123 2.323(11) . ?
Yb5 O122 2.416(13) . ?
Yb5 O118 2.430(9) . ?
Yb5 O44 2.552(9) . ?
Yb5 N20 2.570(14) . ?
Yb5 Cd19 3.6951(17) . ?
Yb5 Cd18 3.8852(16) . ?
Yb6 O116 2.298(11) . ?
Yb6 O27 2.316(9) . ?
Yb6 O31 2.326(11) . ?
Yb6 O111 2.344(10) . ?
Yb6 O110 2.410(12) . ?
Yb6 O107 2.444(9) . ?
Yb6 N14 2.539(13) . ?
Yb6 O32 2.628(11) . ?
Yb6 Cd22 3.6360(17) . ?
Yb6 Cd21 3.7879(16) . ?
Cd1 O34 2.239(10) . ?
Cd1 O30 2.286(10) . ?
Cd1 O73 2.292(10) . ?
Cd1 O71 2.293(9) . ?
Cd1 N17 2.337(14) . ?
Cd1 O29 2.579(9) . ?
Cd2 O129 2.165(18) . ?
Cd2 O34 2.248(9) . ?
Cd2 O71 2.286(10) . ?
Cd2 O75 2.341(11) . ?
Cd2 O33 2.407(12) . ?
Cd2 O76 2.410(11) . ?
Cd2 C274 2.725(16) . ?
Cd3 O77 2.236(10) . ?
Cd3 O38 2.272(11) . ?
Cd3 O79 2.278(9) . ?
Cd3 N19 2.350(13) . ?
Cd3 O74 2.392(11) . ?
Cd3 O76 2.400(11) . ?
Cd4 O2 2.201(14) . ?
Cd4 N1 2.293(19) . ?
Cd4 O42 2.346(13) . ?
Cd4 O83 2.346(11) . ?
Cd4 O81 2.357(17) . ?
Cd4 O41 2.44(3) . ?
Cd5 O45 2.18(2) . ?
Cd5 O2 2.248(15) . ?
Cd5 O46 2.438(12) . ?
Cd5 O131 2.453(16) . ?
Cd5 O1 2.517(17) . ?
Cd5 O81 2.617(16) . ?
Cd5 C244 2.75(3) . ?
Cd6 O47 2.186(8) . ?
Cd6 O6 2.193(9) . ?
Cd6 N3 2.282(12) . ?
Cd6 O84 2.290(11) . ?
Cd6 O46 2.308(12) . ?
Cd6 O52 2.580(13) . ?
Cd6 Cd7 3.4439(18) . ?
Cd7 O10 2.167(11) . ?
Cd7 O6 2.196(9) . ?
Cd7 O48 2.327(9) . ?
Cd7 N5 2.330(15) . ?
Cd7 O51 2.414(9) . ?
Cd7 O52 2.417(11) . ?
Cd7 C252 2.742(17) . ?
Cd8 O54 2.223(9) . ?
Cd8 O10 2.258(12) . ?
Cd8 O48 2.311(9) . ?
Cd8 O50 2.325(13) . ?
Cd8 O9 2.480(12) . ?
Cd8 O49 2.503(17) . ?
Cd8 O53 2.534(9) . ?
Cd8 C250 2.73(2) . ?
Cd9 O56 2.257(12) . ?
Cd9 O14 2.304(8) . ?
Cd9 O58 2.317(9) . ?
Cd9 N7 2.337(12) . ?
Cd9 O53 2.387(10) . ?
Cd9 O51 2.406(8) . ?
Cd10 N11 2.214(14) . ?
Cd10 O22 2.248(10) . ?
Cd10 O60 2.257(10) . ?
Cd10 O18 2.296(9) . ?
Cd10 O62 2.298(9) . ?
Cd10 O17 2.571(9) . ?
Cd11 O22 2.236(10) . ?
Cd11 O66 2.248(12) . ?
Cd11 O60 2.261(9) . ?
Cd11 O63 2.326(14) . ?
Cd11 O65 2.386(9) . ?
Cd11 O21 2.457(11) . ?
Cd11 O64 2.527(14) . ?
Cd11 C262 2.69(2) . ?
Cd11 C264 2.74(2) . ?
Cd12 O68 2.285(8) . ?
Cd12 O70 2.286(8) . ?
Cd12 N13 2.305(12) . ?
Cd12 O26 2.350(9) . ?
Cd12 O61 2.360(10) . ?
Cd12 O65 2.450(9) . ?
Cd13 O11 2.240(10) . ?
Cd13 O15 2.260(10) . ?
Cd13 O98 2.269(10) . ?
Cd13 N6 2.312(13) . ?
Cd13 O95 2.329(9) . ?
Cd13 O16 2.516(12) . ?
Cd14 O11 2.252(11) . ?
Cd14 O94 2.290(11) . ?
Cd14 O98 2.329(9) . ?
Cd14 O128 2.334(15) . ?
Cd14 O127 2.43(2) . ?
Cd14 O93 2.455(10) . ?
Cd14 O12 2.504(10) . ?
Cd14 C296 2.573(16) . ?
Cd14 C292 2.741(17) . ?
Cd15 O7 2.207(10) . ?
Cd15 O91 2.237(9) . ?
Cd15 O93 2.289(10) . ?
Cd15 N4 2.301(12) . ?
Cd15 O96 2.313(9) . ?
Cd16 O3 2.168(10) . ?
Cd16 O7 2.206(10) . ?
Cd16 N2 2.242(16) . ?
Cd16 O92 2.342(10) . ?
Cd16 O90 2.397(10) . ?
Cd16 O89 2.415(8) . ?
Cd17 O3 2.195(10) . ?
Cd17 O86 2.248(10) . ?
Cd17 O87 2.289(12) . ?
Cd17 O92 2.302(9) . ?
Cd17 O4 2.457(13) . ?
Cd17 O85 2.528(9) . ?
Cd17 O88 2.541(13) . ?
Cd17 C286 2.73(2) . ?
Cd18 O124 2.279(10) . ?
Cd18 O126 2.283(9) . ?
Cd18 O43 2.292(9) . ?
Cd18 N22 2.312(15) . ?
Cd18 O85 2.372(10) . ?
Cd18 O89 2.423(9) . ?
Cd19 O35 2.242(13) . ?
Cd19 O121 2.272(11) . ?
Cd19 N18 2.275(16) . ?
Cd19 O118 2.328(9) . ?
Cd19 O39 2.336(11) . ?
Cd19 O40 2.536(11) . ?
Cd20 O35 2.179(14) . ?
Cd20 O114 2.292(15) . ?
Cd20 O121 2.326(11) . ?
Cd20 O120 2.394(18) . ?
Cd20 O119 2.419(17) . ?
Cd20 O36 2.442(14) . ?
Cd20 O113 2.459(11) . ?
Cd20 C316 2.70(2) . ?
Cd20 C318 2.74(2) . ?
Cd21 N16 2.282(12) . ?
Cd21 O115 2.317(10) . ?
Cd21 O112 2.318(11) . ?
Cd21 O117 2.348(11) . ?
Cd21 O31 2.369(10) . ?
Cd21 O113 2.390(12) . ?
Cd22 O23 2.212(11) . ?
Cd22 N12 2.258(12) . ?
Cd22 O109 2.284(11) . ?
Cd22 O107 2.288(10) . ?
Cd22 O27 2.295(10) . ?
Cd22 O28 2.529(10) . ?
Cd23 O23 2.270(9) . ?
Cd23 O104 2.29(2) . ?
Cd23 O106 2.30(3) . ?
Cd23 O109 2.334(12) . ?
Cd23 O103 2.388(11) . ?
Cd23 O24 2.408(14) . ?
Cd23 O105 2.48(2) . ?
Cd23 C306 2.73(2) . ?
Cd23 C304 2.73(2) . ?
Cd24 O100 2.237(10) . ?
Cd24 O101 2.264(11) . ?
Cd24 N10 2.285(12) . ?
Cd24 O103 2.346(13) . ?
Cd24 O19 2.347(11) . ?
Cd24 O108 2.428(10) . ?
N1 C8 1.18(2) . ?
N1 C9 1.53(2) . ?
N2 C15 1.32(2) . ?
N2 C14 1.48(2) . ?
N3 C30 1.265(19) . ?
N3 C31 1.455(18) . ?
N4 C37 1.299(19) . ?
N4 C36 1.47(2) . ?
N5 C52 1.32(2) . ?
N5 C53 1.44(2) . ?
N6 C59 1.234(18) . ?
N6 C58 1.48(2) . ?
N7 C74 1.245(18) . ?
N7 C75 1.466(17) . ?
N8 C81 1.17(2) . ?
N8 C80 1.427(18) . ?
N9 C96 1.308(17) . ?
N9 C97 1.465(18) . ?
N10 C103 1.28(2) . ?
N10 C102 1.477(19) . ?
N11 C118 1.391(15) . ?
N11 C119 1.42(2) . ?
N12 C125 1.247(18) . ?
N12 C124 1.57(2) . ?
N13 C140 1.268(14) . ?
N13 C141 1.530(16) . ?
N14 C147 1.286(15) . ?
N14 C146 1.499(19) . ?
N15 C162 1.301(15) . ?
N15 C163 1.533(18) . ?
N16 C169 1.356(17) . ?
N16 C168 1.49(2) . ?
N17 C184 1.31(2) . ?
N17 C185 1.40(2) . ?
N18 C191 1.269(18) . ?
N18 C190 1.53(2) . ?
N19 C206 1.27(2) . ?
N19 C207 1.460(14) . ?
N20 C213 1.265(16) . ?
N20 C212 1.528(14) . ?
N21 C228 1.29(2) . ?
N21 C229 1.502(17) . ?
N22 C235 1.287(18) . ?
N22 C234 1.426(16) . ?
O1 C2 1.30(2) . ?
O1 C1 1.48(2) . ?
O2 C7 1.18(2) . ?
O3 C21 1.38(2) . ?
O4 C20 1.32(2) . ?
O4 C22 1.467(18) . ?
O5 C24 1.373(17) . ?
O5 C23 1.447(18) . ?
O6 C29 1.355(15) . ?
O7 C43 1.270(16) . ?
O8 C42 1.356(19) . ?
O8 C44 1.415(19) . ?
O9 C46 1.31(2) . ?
O9 C45 1.43(2) . ?
O10 C51 1.23(2) . ?
O11 C65 1.276(17) . ?
O12 C64 1.358(17) . ?
O12 C66 1.426(17) . ?
O13 C68 1.388(16) . ?
O13 C67 1.421(17) . ?
O14 C73 1.359(19) . ?
O15 C87 1.308(18) . ?
O16 C86 1.40(2) . ?
O16 C88 1.403(19) . ?
O17 C90 1.305(19) . ?
O17 C89 1.456(17) . ?
O18 C95 1.344(18) . ?
O19 C109 1.30(2) . ?
O20 C108 1.453(15) . ?
O20 C110 1.522(12) . ?
O21 C112 1.30(2) . ?
O21 C111 1.50(3) . ?
O22 C117 1.353(16) . ?
O23 C131 1.312(17) . ?
O24 C130 1.382(15) . ?
O24 C132 1.44(2) . ?
O25 C134 1.408(16) . ?
O25 C133 1.445(18) . ?
O26 C139 1.308(12) . ?
O27 C153 1.325(16) . ?
O28 C152 1.325(18) . ?
O28 C154 1.39(2) . ?
O29 C155 1.411(17) . ?
O29 C156 1.436(17) . ?
O30 C161 1.395(14) . ?
O31 C175 1.295(19) . ?
O32 C174 1.39(2) . ?
O32 C176 1.47(2) . ?
O33 C178 1.367(16) . ?
O33 C177 1.45(2) . ?
O34 C183 1.316(14) . ?
O35 C197 1.307(19) . ?
O36 C196 1.30(2) . ?
O36 C198 1.35(3) . ?
O37 C200 1.41(2) . ?
O37 C199 1.44(2) . ?
O38 C205 1.345(19) . ?
O39 C219 1.333(16) . ?
O40 C218 1.27(2) . ?
O40 C220 1.48(2) . ?
O41 C222 1.58(4) . ?
O41 C221 1.589(18) . ?
O42 C227 1.28(3) . ?
O43 C241 1.385(17) . ?
O44 C240 1.279(17) . ?
O44 C242 1.419(16) . ?
O131 H13A 0.8200 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.34(3) . ?
C2 C7 1.46(3) . ?
C3 C4 1.44(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.37(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.39(3) . ?
C5 H5A 0.9300 . ?
C6 C7 1.38(2) . ?
C6 C8 1.479(16) . ?
C8 H8A 0.9300 . ?
C9 C10 1.513(17) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.57(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.56(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.51(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.46(2) . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.47(3) . ?
C15 H15A 0.9300 . ?
C16 C21 1.36(3) . ?
C16 C17 1.52(3) . ?
C17 C18 1.38(3) . ?
C17 H17A 0.9300 . ?
C18 C19 1.388(17) . ?
C18 H18A 0.9300 . ?
C19 C20 1.42(2) . ?
C19 H19A 0.9300 . ?
C20 C21 1.41(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C29 1.41(2) . ?
C24 C25 1.44(2) . ?
C25 C26 1.33(2) . ?
C25 H25A 0.9300 . ?
C26 C27 1.29(3) . ?
C26 H26A 0.9300 . ?
C27 C28 1.42(2) . ?
C27 H27A 0.9300 . ?
C28 C29 1.391(19) . ?
C28 C30 1.49(2) . ?
C30 H30A 0.9300 . ?
C31 C32 1.58(3) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.534(19) . ?
C32 C33' 1.66(5) . ?
C32 H32O 0.9700 . ?
C32 H32A 0.9700 . ?
C33 C34 1.506(14) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.559(19) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C33' C34' 1.37(5) . ?
C33' H33C 0.9700 . ?
C33' H33D 0.9700 . ?
C34' C35 1.64(4) . ?
C34' H34C 0.9700 . ?
C34' H34D 0.9700 . ?
C35 C36 1.53(3) . ?
C35 H35A 0.9605 . ?
C35 H35B 0.9594 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.49(2) . ?
C37 H37A 0.9300 . ?
C38 C39 1.39(2) . ?
C38 C43 1.43(2) . ?
C39 C40 1.40(3) . ?
C39 H39A 0.9300 . ?
C40 C41 1.25(2) . ?
C40 H40A 0.9300 . ?
C41 C42 1.44(2) . ?
C41 H41A 0.9300 . ?
C42 C43 1.48(2) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C51 1.43(2) . ?
C46 C47 1.47(3) . ?
C47 C48 1.31(3) . ?
C47 H47A 0.9300 . ?
C48 C49 1.41(3) . ?
C48 H48A 0.9300 . ?
C49 C50 1.47(3) . ?
C49 H49A 0.9300 . ?
C50 C52 1.37(2) . ?
C50 C51 1.48(3) . ?
C52 H52A 0.9300 . ?
C53 C54 1.44(2) . ?
C53 H53B 0.9700 . ?
C53 H53A 0.9700 . ?
C54 C55 1.58(2) . ?
C54 H54B 0.9700 . ?
C54 H54A 0.9700 . ?
C55 C56 1.53(3) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.565(18) . ?
C56 H56B 0.9700 . ?
C56 H56A 0.9700 . ?
C57 C58 1.501(17) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.490(14) . ?
C59 H59A 0.9300 . ?
C60 C61 1.42(2) . ?
C60 C65 1.44(2) . ?
C61 C62 1.40(2) . ?
C61 H61A 0.9300 . ?
C62 C63 1.37(2) . ?
C62 H62A 0.9300 . ?
C63 C64 1.38(2) . ?
C63 H63A 0.9300 . ?
C64 C65 1.46(2) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 C69 1.32(2) . ?
C68 C73 1.50(2) . ?
C69 C70 1.45(3) . ?
C69 H69A 0.9300 . ?
C70 C71 1.40(2) . ?
C70 H70A 0.9300 . ?
C71 C72 1.40(2) . ?
C71 H71A 0.9300 . ?
C72 C73 1.37(2) . ?
C72 C74 1.46(2) . ?
C74 H74A 0.9300 . ?
C75 C76 1.51(2) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 C77 1.572(19) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C77 C78 1.49(2) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 C79 1.48(2) . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C79 C80 1.49(2) . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 C82 1.51(2) . ?
C81 H81A 0.9300 . ?
C82 C87 1.43(2) . ?
C82 C83 1.470(17) . ?
C83 C84 1.32(3) . ?
C83 H83A 0.9300 . ?
C84 C85 1.35(3) . ?
C84 H84A 0.9300 . ?
C85 C86 1.39(3) . ?
C85 H85A 0.9300 . ?
C86 C87 1.30(2) . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 C95 1.43(2) . ?
C90 C91 1.44(2) . ?
C91 C92 1.31(2) . ?
C91 H91A 0.9300 . ?
C92 C93 1.38(2) . ?
C92 H92A 0.9300 . ?
C93 C94 1.44(2) . ?
C93 H93A 0.9300 . ?
C94 C95 1.38(2) . ?
C94 C96 1.41(2) . ?
C96 H96A 0.9300 . ?
C97 C98 1.497(15) . ?
C97 H97A 0.9700 . ?
C97 H97B 0.9700 . ?
C98 C99 1.51(2) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C99 C100 1.50(2) . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C100 C101 1.48(2) . ?
C100 H10C 0.9700 . ?
C100 H10D 0.9700 . ?
C101 C102 1.48(2) . ?
C101 H10E 0.9700 . ?
C101 H10F 0.9700 . ?
C102 H10G 0.9700 . ?
C102 H10H 0.9700 . ?
C103 C104 1.44(2) . ?
C103 H10I 0.9300 . ?
C104 C105 1.38(3) . ?
C104 C109 1.45(3) . ?
C105 C106 1.51(5) . ?
C105 H10J 0.9300 . ?
C106 C107 1.457(19) . ?
C106 H10K 0.9300 . ?
C107 C108 1.50(3) . ?
C107 H10L 0.9300 . ?
C108 C109 1.43(3) . ?
C110 H11C 0.9600 . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C111 H11F 0.9600 . ?
C111 H11G 0.9600 . ?
C111 H11H 0.9600 . ?
C112 C113 1.43(2) . ?
C112 C117 1.47(2) . ?
C113 C114 1.35(3) . ?
C113 H11I 0.9300 . ?
C114 C115 1.25(3) . ?
C114 H11J 0.9300 . ?
C115 C116 1.44(2) . ?
C115 H11K 0.9300 . ?
C116 C117 1.42(2) . ?
C116 C118 1.46(3) . ?
C118 H11L 0.9300 . ?
C119 C120 1.54(2) . ?
C119 H11M 0.9700 . ?
C119 H11N 0.9700 . ?
C120 C121 1.578(15) . ?
C120 H12C 0.9700 . ?
C120 H12D 0.9700 . ?
C121 C122 1.47(2) . ?
C121 H12E 0.9700 . ?
C121 H12F 0.9700 . ?
C122 C123 1.50(3) . ?
C122 H12G 0.9700 . ?
C122 H12H 0.9700 . ?
C123 C124 1.59(3) . ?
C123 H12I 0.9700 . ?
C123 H12J 0.9700 . ?
C124 H12K 0.9700 . ?
C124 H12L 0.9700 . ?
C125 C126 1.43(3) . ?
C125 H12M 0.9300 . ?
C126 C131 1.42(2) . ?
C126 C127 1.44(2) . ?
C127 C128 1.30(3) . ?
C127 H12N 0.9300 . ?
C128 C129 1.43(3) . ?
C128 H12O 0.9300 . ?
C129 C130 1.35(3) . ?
C129 H12P 0.9300 . ?
C130 C131 1.41(2) . ?
C132 H13D 0.9600 . ?
C132 H13E 0.9600 . ?
C132 H13F 0.9600 . ?
C133 H13G 0.9600 . ?
C133 H13H 0.9600 . ?
C133 H13I 0.9600 . ?
C134 C139 1.33(2) . ?
C134 C135 1.44(2) . ?
C135 C136 1.30(3) . ?
C135 H13J 0.9300 . ?
C136 C137 1.38(3) . ?
C136 H13K 0.9300 . ?
C137 C138 1.32(2) . ?
C137 H13L 0.9300 . ?
C138 C139 1.41(2) . ?
C138 C140 1.46(2) . ?
C140 H14C 0.9300 . ?
C141 C142 1.506(19) . ?
C141 H14D 0.9700 . ?
C141 H14E 0.9700 . ?
C142 C143 1.59(2) . ?
C142 H14F 0.9700 . ?
C142 H14G 0.9700 . ?
C143 C144 1.48(2) . ?
C143 H14H 0.9700 . ?
C143 H14I 0.9700 . ?
C144 C145 1.55(2) . ?
C144 H14J 0.9700 . ?
C144 H14K 0.9700 . ?
C145 C146 1.51(2) . ?
C145 H14L 0.9700 . ?
C145 H14M 0.9700 . ?
C146 H14N 0.9700 . ?
C146 H14O 0.9700 . ?
C147 C148 1.474(16) . ?
C147 H14P 0.9300 . ?
C148 C153 1.40(2) . ?
C148 C149 1.41(2) . ?
C149 C150 1.39(3) . ?
C149 H14Q 0.9300 . ?
C150 C151 1.31(3) . ?
C150 H15B 0.9300 . ?
C151 C152 1.41(2) . ?
C151 H15C 0.9300 . ?
C152 C153 1.52(2) . ?
C154 H15D 0.9600 . ?
C154 H15E 0.9600 . ?
C154 H15F 0.9600 . ?
C155 H15G 0.9600 . ?
C155 H15H 0.9600 . ?
C155 H15I 0.9600 . ?
C156 C161 1.36(2) . ?
C156 C157 1.39(2) . ?
C157 C158 1.32(2) . ?
C157 H15J 0.9300 . ?
C158 C159 1.33(3) . ?
C158 H15K 0.9300 . ?
C159 C160 1.44(2) . ?
C159 H15L 0.9300 . ?
C160 C161 1.38(2) . ?
C160 C162 1.45(2) . ?
C162 H16A 0.9300 . ?
C163 C164 1.51(2) . ?
C163 H16B 0.9700 . ?
C163 H16C 0.9700 . ?
C164 C165 1.53(2) . ?
C164 H16D 0.9700 . ?
C164 H16E 0.9700 . ?
C165 C166 1.50(2) . ?
C165 H16F 0.9700 . ?
C165 H16G 0.9700 . ?
C166 C167 1.58(2) . ?
C166 H16H 0.9700 . ?
C166 H16I 0.9700 . ?
C167 C168 1.48(2) . ?
C167 H16J 0.9700 . ?
C167 H16K 0.9700 . ?
C168 H16L 0.9700 . ?
C168 H16M 0.9700 . ?
C169 C170 1.45(3) . ?
C169 H16N 0.9300 . ?
C170 C175 1.34(3) . ?
C170 C171 1.50(3) . ?
C171 C172 1.42(3) . ?
C171 H17B 0.9300 . ?
C172 C173 1.474(18) . ?
C172 H17C 0.9300 . ?
C173 C174 1.33(3) . ?
C173 H17E 0.9300 . ?
C174 C175 1.47(3) . ?
C176 H17F 0.9600 . ?
C176 H17G 0.9600 . ?
C176 H17H 0.9600 . ?
C177 H17I 0.9600 . ?
C177 H17J 0.9600 . ?
C177 H17K 0.9600 . ?
C178 C179 1.33(2) . ?
C178 C183 1.41(2) . ?
C179 C180 1.41(3) . ?
C179 H17L 0.9300 . ?
C180 C181 1.28(3) . ?
C180 H18B 0.9300 . ?
C181 C182 1.47(2) . ?
C181 H18C 0.9300 . ?
C182 C184 1.36(3) . ?
C182 C183 1.42(2) . ?
C184 H18D 0.9300 . ?
C185 C186 1.51(3) . ?
C185 H18E 0.9700 . ?
C185 H18F 0.9700 . ?
C186 C187 1.535(18) . ?
C186 H18G 0.9700 . ?
C186 H18H 0.9700 . ?
C187 C188 1.481(18) . ?
C187 H18I 0.9700 . ?
C187 H18J 0.9700 . ?
C188 C189 1.519(18) . ?
C188 H18K 0.9700 . ?
C188 H18L 0.9700 . ?
C189 C190 1.54(3) . ?
C189 H18M 0.9700 . ?
C189 H18N 0.9700 . ?
C190 H19B 0.9700 . ?
C190 H19C 0.9700 . ?
C191 C192 1.48(3) . ?
C191 H19D 0.9300 . ?
C192 C197 1.34(3) . ?
C192 C193 1.47(4) . ?
C193 C194 1.47(5) . ?
C193 H19E 0.9300 . ?
C194 C195 1.47(5) . ?
C194 H19G 0.9300 . ?
C195 C196 1.423(18) . ?
C195 H19H 0.9300 . ?
C196 C197 1.478(17) . ?
C198 H19J 0.9600 . ?
C198 H19K 0.9600 . ?
C198 H19L 0.9600 . ?
C199 H19M 0.9600 . ?
C199 H19N 0.9600 . ?
C199 H19O 0.9600 . ?
C200 C205 1.32(3) . ?
C200 C201 1.42(3) . ?
C201 C202 1.500(18) . ?
C201 H20A 0.9300 . ?
C202 C203 1.34(3) . ?
C202 H20C 0.9300 . ?
C203 C204 1.40(3) . ?
C203 H20D 0.9300 . ?
C204 C206 1.47(3) . ?
C204 C205 1.49(2) . ?
C206 H20E 0.9300 . ?
C207 C208 1.58(2) . ?
C207 H20F 0.9700 . ?
C207 H20G 0.9700 . ?
C208 C209 1.53(2) . ?
C208 H20H 0.9700 . ?
C208 H20I 0.9700 . ?
C209 C210 1.51(2) . ?
C209 H20J 0.9700 . ?
C209 H20K 0.9700 . ?
C210 C211 1.55(2) . ?
C210 H21A 0.9700 . ?
C210 H21B 0.9700 . ?
C211 C212 1.54(2) . ?
C211 H21C 0.9700 . ?
C211 H21D 0.9700 . ?
C212 H21E 0.9700 . ?
C212 H21F 0.9700 . ?
C213 C214 1.39(2) . ?
C213 H21G 0.9300 . ?
C214 C215 1.44(2) . ?
C214 C219 1.44(2) . ?
C215 C216 1.381(16) . ?
C215 H21H 0.9300 . ?
C216 C217 1.41(3) . ?
C216 H21I 0.9300 . ?
C217 C218 1.45(3) . ?
C217 H21J 0.9300 . ?
C218 C219 1.43(2) . ?
C220 H22D 0.9600 . ?
C220 H22E 0.9600 . ?
C220 H22F 0.9600 . ?
C221 H22G 0.9600 . ?
C221 H22H 0.9600 . ?
C221 H22I 0.9600 . ?
C222 C227 1.443(18) . ?
C222 C223 1.461(19) . ?
C223 C224 1.451(19) . ?
C223 H22K 0.9300 . ?
C224 C225 1.459(19) . ?
C224 H22L 0.9300 . ?
C225 C226 1.466(18) . ?
C225 H22M 0.9300 . ?
C226 C228 1.39(3) . ?
C226 C227 1.50(3) . ?
C228 H22N 0.9300 . ?
C229 C230 1.59(2) . ?
C229 H22O 0.9700 . ?
C229 H22P 0.9700 . ?
C230 C231 1.53(2) . ?
C230 H23D 0.9700 . ?
C230 H23E 0.9700 . ?
C231 C232 1.47(2) . ?
C231 H23F 0.9700 . ?
C231 H23G 0.9700 . ?
C232 C233 1.47(2) . ?
C232 H23H 0.9700 . ?
C232 H23I 0.9700 . ?
C233 C234 1.55(2) . ?
C233 H23J 0.9700 . ?
C233 H23K 0.9700 . ?
C234 H23L 0.9700 . ?
C234 H23M 0.9700 . ?
C235 C236 1.44(2) . ?
C235 H23N 0.9300 . ?
C236 C237 1.41(2) . ?
C236 C241 1.43(2) . ?
C237 C238 1.30(3) . ?
C237 H23O 0.9300 . ?
C238 C239 1.37(3) . ?
C238 H23P 0.9300 . ?
C239 C240 1.42(2) . ?
C239 H23Q 0.9300 . ?
C240 C241 1.44(2) . ?
C242 H24A 0.9600 . ?
C242 H24B 0.9600 . ?
C242 H24C 0.9600 . ?
C243 C244 1.431(14) . ?
C243 H24D 0.9600 . ?
C243 H24E 0.9600 . ?
C243 H24F 0.9600 . ?
C244 O46 1.32(3) . ?
C244 O45 1.37(4) . ?
C245 C246 1.43(2) . ?
C245 H24G 0.9600 . ?
C245 H24H 0.9600 . ?
C245 H24I 0.9600 . ?
C246 O47 1.299(17) . ?
C246 O48 1.303(17) . ?
C247 C248 1.52(2) . ?
C247 H24J 0.9600 . ?
C247 H24K 0.9600 . ?
C247 H24L 0.9600 . ?
C248 O55 1.220(16) . ?
C248 O56 1.272(15) . ?
C249 C250 1.45(3) . ?
C249 H24M 0.9600 . ?
C249 H24N 0.9600 . ?
C249 H24O 0.9600 . ?
C250 O50 1.16(3) . ?
C250 O49 1.36(3) . ?
C251 C252 1.53(2) . ?
C251 H25B 0.9600 . ?
C251 H25C 0.9600 . ?
C251 H25D 0.9600 . ?
C252 O52 1.209(19) . ?
C252 O51 1.279(19) . ?
C253 C254 1.47(2) . ?
C253 H25E 0.9600 . ?
C253 H25F 0.9600 . ?
C253 H25G 0.9600 . ?
C254 O53 1.293(17) . ?
C254 O54 1.294(17) . ?
C255 C256 1.567(19) . ?
C255 H25H 0.9600 . ?
C255 H25I 0.9600 . ?
C255 H25J 0.9600 . ?
C256 O58 1.179(14) . ?
C256 O57 1.249(14) . ?
C257 C258 1.49(2) . ?
C257 H25K 0.9600 . ?
C257 H25L 0.9600 . ?
C257 H25M 0.9600 . ?
C258 O59 1.252(19) . ?
C258 O60 1.320(17) . ?
C259 C260 1.433(13) . ?
C259 H25N 0.9600 . ?
C259 H25O 0.9600 . ?
C259 H25P 0.9600 . ?
C260 O62 1.264(14) . ?
C260 O61 1.265(14) . ?
C261 C262 1.484(18) . ?
C261 H26B 0.9600 . ?
C261 H26C 0.9600 . ?
C261 H26D 0.9600 . ?
C262 O63 1.20(2) . ?
C262 O64 1.26(3) . ?
C263 C264 1.49(3) . ?
C263 H26E 0.9600 . ?
C263 H26F 0.9600 . ?
C263 H26G 0.9600 . ?
C264 O66 1.289(19) . ?
C264 O65 1.30(2) . ?
C265 C266 1.48(2) . ?
C265 H26H 0.9600 . ?
C265 H26I 0.9600 . ?
C265 H26J 0.9600 . ?
C266 O70 1.231(17) . ?
C266 O69 1.277(18) . ?
C267 C268 1.49(2) . ?
C267 H26K 0.9600 . ?
C267 H26L 0.9600 . ?
C267 H26M 0.9600 . ?
C268 O68 1.223(17) . ?
C268 O67 1.282(16) . ?
C269 C270 1.58(2) . ?
C269 H26N 0.9600 . ?
C269 H26O 0.9600 . ?
C269 H26P 0.9600 . ?
C270 O74 1.20(2) . ?
C270 O73 1.252(18) . ?
C271 C272 1.479(19) . ?
C271 H27B 0.9600 . ?
C271 H27C 0.9600 . ?
C271 H27D 0.9600 . ?
C272 O72 1.201(16) . ?
C272 O71 1.299(15) . ?
C273 C274 1.52(2) . ?
C273 H27E 0.9600 . ?
C273 H27F 0.9600 . ?
C273 H27G 0.9600 . ?
C274 O76 1.201(19) . ?
C274 O75 1.33(2) . ?
C275 C276 1.53(2) . ?
C275 H27H 0.9600 . ?
C275 H27I 0.9600 . ?
C275 H27J 0.9600 . ?
C276 O80 1.250(18) . ?
C276 O79 1.307(18) . ?
C277 C278 1.55(2) . ?
C277 H27K 0.9600 . ?
C277 H27L 0.9600 . ?
C277 H27M 0.9600 . ?
C278 O77 1.190(18) . ?
C278 O78 1.264(18) . ?
C279 C280 1.44(3) . ?
C279 H27N 0.9600 . ?
C279 H27O 0.9600 . ?
C279 H27P 0.9600 . ?
C280 O81 1.31(2) . ?
C280 O82 1.34(2) . ?
C281 C282 1.52(3) . ?
C281 H28A 0.9600 . ?
C281 H28B 0.9600 . ?
C281 H28C 0.9600 . ?
C282 O84 1.253(17) . ?
C282 O83 1.279(17) . ?
C283 C284 1.44(2) . ?
C283 H28D 0.9600 . ?
C283 H28E 0.9600 . ?
C283 H28F 0.9600 . ?
C284 O85 1.209(16) . ?
C284 O86 1.352(17) . ?
C285 C286 1.57(3) . ?
C285 H28G 0.9600 . ?
C285 H28H 0.9600 . ?
C285 H28I 0.9600 . ?
C286 O88 1.23(2) . ?
C286 O87 1.27(2) . ?
C287 C288 1.45(2) . ?
C287 H28J 0.9600 . ?
C287 H28K 0.9600 . ?
C287 H28L 0.9600 . ?
C288 O91 1.275(15) . ?
C288 O92 1.282(16) . ?
C289 C290 1.50(2) . ?
C289 H28M 0.9600 . ?
C289 H28N 0.9600 . ?
C289 H28O 0.9600 . ?
C290 O90 1.246(18) . ?
C290 O89 1.290(18) . ?
C291 C292 1.44(2) . ?
C292 O94 1.247(19) . ?
C292 O93 1.314(17) . ?
C293 C294 1.48(2) . ?
C293 H29A 0.9600 . ?
C293 H29B 0.9600 . ?
C293 H29C 0.9600 . ?
C294 O96 1.166(16) . ?
C294 O95 1.324(18) . ?
C295 C296 1.506(18) . ?
C295 H29D 0.9600 . ?
C295 H29E 0.9600 . ?
C295 H29F 0.9600 . ?
C296 O128 1.13(2) . ?
C296 O127 1.22(2) . ?
C297 C298 1.48(2) . ?
C297 H29G 0.9600 . ?
C297 H29H 0.9600 . ?
C297 H29I 0.9600 . ?
C298 O97 1.235(19) . ?
C298 O98 1.276(18) . ?
C299 C300 1.51(2) . ?
C299 H29J 0.9600 . ?
C299 H29K 0.9600 . ?
C299 H29L 0.9600 . ?
C300 O100 1.202(17) . ?
C300 O99 1.233(18) . ?
C301 C302 1.433(16) . ?
C301 H30B 0.9600 . ?
C301 H30C 0.9600 . ?
C301 H30D 0.9600 . ?
C302 O101 1.304(18) . ?
C302 O102 1.313(18) . ?
C303 C304 1.56(3) . ?
C303 H30E 0.9600 . ?
C303 H30F 0.9600 . ?
C303 H30G 0.9600 . ?
C304 O103 1.19(3) . ?
C304 O104 1.25(3) . ?
C305 C306 1.554(18) . ?
C305 H30H 0.9600 . ?
C305 H30I 0.9600 . ?
C305 H30J 0.9600 . ?
C306 O105 1.253(17) . ?
C306 O106 1.304(17) . ?
C307 C308 1.44(2) . ?
C307 H30K 0.9600 . ?
C307 H30L 0.9600 . ?
C307 H30M 0.9600 . ?
C308 O110 1.25(2) . ?
C308 O109 1.286(19) . ?
C309 C310 1.57(2) . ?
C309 H30N 0.9600 . ?
C309 H30O 0.9600 . ?
C309 H30P 0.9600 . ?
C310 O107 1.221(16) . ?
C310 O108 1.291(18) . ?
C311 C312 1.47(3) . ?
C311 H31C 0.9600 . ?
C311 H31D 0.9600 . ?
C311 H31E 0.9600 . ?
C312 O112 1.23(2) . ?
C312 O111 1.270(19) . ?
C313 C314 1.51(2) . ?
C313 H31F 0.9600 . ?
C313 H31G 0.9600 . ?
C313 H31H 0.9600 . ?
C314 O116 1.241(18) . ?
C314 O115 1.250(17) . ?
C315 C316 1.435(17) . ?
C315 H31I 0.9600 . ?
C315 H31J 0.9600 . ?
C315 H31K 0.9600 . ?
C316 O113 1.23(2) . ?
C316 O114 1.25(2) . ?
C317 C318 1.489(18) . ?
C317 H31L 0.9600 . ?
C317 H31M 0.9600 . ?
C317 H31N 0.9600 . ?
C318 O120 1.17(3) . ?
C318 O119 1.30(3) . ?
C319 C320 1.48(2) . ?
C319 H31O 0.9600 . ?
C319 H31P 0.9600 . ?
C319 H31Q 0.9600 . ?
C320 O122 1.17(2) . ?
C320 O121 1.232(18) . ?
C321 C322 1.47(2) . ?
C321 H32B 0.9600 . ?
C321 H32C 0.9600 . ?
C321 H32D 0.9600 . ?
C322 O117 1.225(18) . ?
C322 O118 1.298(18) . ?
C323 C324 1.51(2) . ?
C323 H32E 0.9600 . ?
C323 H32F 0.9600 . ?
C323 H32G 0.9600 . ?
C324 O124 1.209(16) . ?
C324 O123 1.256(17) . ?
C325 C326 1.52(2) . ?
C325 H32H 0.9600 . ?
C325 H32I 0.9600 . ?
C325 H32J 0.9600 . ?
C326 O125 1.248(16) . ?
C326 O126 1.265(17) . ?
C327 C328 1.523(14) . ?
C327 H32K 0.9600 . ?
C327 H32L 0.9600 . ?
C327 H32M 0.9600 . ?
C328 O129 1.232(15) . ?
C328 O130 1.250(17) . ?

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
O69 Yb1 O26 85.4(2) . . ?
O69 Yb1 O30 116.8(2) . . ?
O26 Yb1 O30 132.9(3) . . ?
O69 Yb1 O67 76.1(3) . . ?
O26 Yb1 O67 76.7(2) . . ?
O30 Yb1 O67 145.9(2) . . ?
O69 Yb1 O72 145.9(3) . . ?
O26 Yb1 O72 104.3(2) . . ?
O30 Yb1 O72 80.6(2) . . ?
O67 Yb1 O72 74.6(3) . . ?
O69 Yb1 O73 80.0(3) . . ?
O26 Yb1 O73 155.6(2) . . ?
O30 Yb1 O73 71.5(2) . . ?
O67 Yb1 O73 80.9(3) . . ?
O72 Yb1 O73 78.5(3) . . ?
O69 Yb1 O25 141.7(2) . . ?
O26 Yb1 O25 63.7(3) . . ?
O30 Yb1 O25 75.9(3) . . ?
O67 Yb1 O25 114.7(2) . . ?
O72 Yb1 O25 68.4(2) . . ?
O73 Yb1 O25 136.5(2) . . ?
O69 Yb1 N15 75.0(3) . . ?
O26 Yb1 N15 75.0(3) . . ?
O30 Yb1 N15 72.3(4) . . ?
O67 Yb1 N15 140.6(3) . . ?
O72 Yb1 N15 139.0(3) . . ?
O73 Yb1 N15 119.1(3) . . ?
O25 Yb1 N15 75.4(3) . . ?
O69 Yb1 Cd1 111.2(2) . . ?
O26 Yb1 Cd1 163.2(2) . . ?
O30 Yb1 Cd1 37.5(2) . . ?
O67 Yb1 Cd1 109.2(2) . . ?
O72 Yb1 Cd1 63.7(2) . . ?
O73 Yb1 Cd1 38.2(2) . . ?
O25 Yb1 Cd1 99.9(2) . . ?
N15 Yb1 Cd1 105.8(3) . . ?
O69 Yb1 Cd12 64.3(2) . . ?
O26 Yb1 Cd12 35.3(2) . . ?
O30 Yb1 Cd12 167.4(2) . . ?
O67 Yb1 Cd12 46.2(2) . . ?
O72 Yb1 Cd12 105.3(2) . . ?
O73 Yb1 Cd12 120.3(2) . . ?
O25 Yb1 Cd12 95.8(2) . . ?
N15 Yb1 Cd12 96.7(3) . . ?
Cd1 Yb1 Cd12 155.14(3) . . ?
O80 Yb2 O42 113.9(3) . . ?
O80 Yb2 O82 144.6(5) . . ?
O42 Yb2 O82 82.3(3) . . ?
O80 Yb2 O78 78.0(4) . . ?
O42 Yb2 O78 150.9(3) . . ?
O82 Yb2 O78 74.8(5) . . ?
O80 Yb2 O38 84.9(3) . . ?
O42 Yb2 O38 129.2(4) . . ?
O82 Yb2 O38 109.7(4) . . ?
O78 Yb2 O38 76.4(3) . . ?
O80 Yb2 O83 78.8(4) . . ?
O42 Yb2 O83 72.5(3) . . ?
O82 Yb2 O83 76.7(5) . . ?
O78 Yb2 O83 84.8(4) . . ?
O38 Yb2 O83 157.3(3) . . ?
O80 Yb2 N21 74.9(3) . . ?
O42 Yb2 N21 67.4(4) . . ?
O82 Yb2 N21 139.4(4) . . ?
O78 Yb2 N21 141.1(3) . . ?
O38 Yb2 N21 73.9(4) . . ?
O83 Yb2 N21 116.1(3) . . ?
O80 Yb2 O37 143.0(3) . . ?
O42 Yb2 O37 77.7(5) . . ?
O82 Yb2 O37 68.8(4) . . ?
O78 Yb2 O37 109.5(3) . . ?
O38 Yb2 O37 63.2(4) . . ?
O83 Yb2 O37 136.8(3) . . ?
N21 Yb2 O37 78.5(4) . . ?
O80 Yb2 C205 99.0(4) . . ?
O42 Yb2 C205 106.1(3) . . ?
O82 Yb2 C205 106.5(5) . . ?
O78 Yb2 C205 97.6(5) . . ?
O38 Yb2 C205 23.4(3) . . ?
O83 Yb2 C205 176.4(4) . . ?
N21 Yb2 C205 60.4(3) . . ?
O37 Yb2 C205 44.9(3) . . ?
O80 Yb2 Cd4 109.0(3) . . ?
O42 Yb2 Cd4 38.1(3) . . ?
O82 Yb2 Cd4 63.7(3) . . ?
O78 Yb2 Cd4 113.7(3) . . ?
O38 Yb2 Cd4 163.9(3) . . ?
O83 Yb2 Cd4 38.4(3) . . ?
N21 Yb2 Cd4 101.3(3) . . ?
O37 Yb2 Cd4 101.0(3) . . ?
C205 Yb2 Cd4 141.3(3) . . ?
O80 Yb2 Cd3 64.3(3) . . ?
O42 Yb2 Cd3 159.2(3) . . ?
O82 Yb2 Cd3 111.3(3) . . ?
O78 Yb2 Cd3 49.8(3) . . ?
O38 Yb2 Cd3 32.5(3) . . ?
O83 Yb2 Cd3 124.9(3) . . ?
N21 Yb2 Cd3 92.9(3) . . ?
O37 Yb2 Cd3 92.3(3) . . ?
C205 Yb2 Cd3 55.8(3) . . ?
Cd4 Yb2 Cd3 162.17(4) . . ?
O14 Yb3 O57 86.5(2) . . ?
O14 Yb3 O18 128.6(3) . . ?
O57 Yb3 O18 119.7(3) . . ?
O14 Yb3 O55 76.6(2) . . ?
O57 Yb3 O55 74.1(3) . . ?
O18 Yb3 O55 149.0(2) . . ?
O14 Yb3 O59 106.7(3) . . ?
O57 Yb3 O59 140.5(3) . . ?
O18 Yb3 O59 81.2(3) . . ?
O55 Yb3 O59 73.3(3) . . ?
O14 Yb3 O62 161.8(2) . . ?
O57 Yb3 O62 81.5(3) . . ?
O18 Yb3 O62 69.6(2) . . ?
O55 Yb3 O62 86.9(3) . . ?
O59 Yb3 O62 75.1(3) . . ?
O14 Yb3 N9 73.8(4) . . ?
O57 Yb3 N9 76.2(2) . . ?
O18 Yb3 N9 71.6(3) . . ?
O55 Yb3 N9 138.9(2) . . ?
O59 Yb3 N9 142.9(2) . . ?
O62 Yb3 N9 116.1(3) . . ?
O14 Yb3 O13 63.4(3) . . ?
O57 Yb3 O13 144.9(2) . . ?
O18 Yb3 O13 73.0(3) . . ?
O55 Yb3 O13 112.8(2) . . ?
O59 Yb3 O13 70.1(2) . . ?
O62 Yb3 O13 131.8(2) . . ?
N9 Yb3 O13 78.1(3) . . ?
O14 Yb3 Cd10 158.5(2) . . ?
O57 Yb3 Cd10 114.3(2) . . ?
O18 Yb3 Cd10 37.1(2) . . ?
O55 Yb3 Cd10 112.9(2) . . ?
O59 Yb3 Cd10 61.0(2) . . ?
O62 Yb3 Cd10 37.7(2) . . ?
N9 Yb3 Cd10 104.9(3) . . ?
O13 Yb3 Cd10 95.20(18) . . ?
O14 Yb3 Cd9 32.6(2) . . ?
O57 Yb3 Cd9 66.0(2) . . ?
O18 Yb3 Cd9 160.9(2) . . ?
O55 Yb3 Cd9 48.2(2) . . ?
O59 Yb3 Cd9 105.9(2) . . ?
O62 Yb3 Cd9 129.2(2) . . ?
N9 Yb3 Cd9 93.6(2) . . ?
O13 Yb3 Cd9 92.40(18) . . ?
Cd10 Yb3 Cd9 161.03(3) . . ?
O102 Yb4 O19 84.9(3) . . ?
O102 Yb4 O99 76.2(4) . . ?
O19 Yb4 O99 76.5(3) . . ?
O102 Yb4 O95 79.3(4) . . ?
O19 Yb4 O95 160.7(3) . . ?
O99 Yb4 O95 88.9(4) . . ?
O102 Yb4 O97 141.1(4) . . ?
O19 Yb4 O97 113.1(3) . . ?
O99 Yb4 O97 75.2(4) . . ?
O95 Yb4 O97 74.3(4) . . ?
O102 Yb4 O15 116.4(3) . . ?
O19 Yb4 O15 128.1(4) . . ?
O99 Yb4 O15 151.3(2) . . ?
O95 Yb4 O15 69.7(3) . . ?
O97 Yb4 O15 80.5(3) . . ?
O102 Yb4 O20 145.0(3) . . ?
O19 Yb4 O20 63.3(4) . . ?
O99 Yb4 O20 107.8(3) . . ?
O95 Yb4 O20 134.5(2) . . ?
O97 Yb4 O20 70.0(3) . . ?
O15 Yb4 O20 77.2(4) . . ?
O102 Yb4 N8 75.9(3) . . ?
O19 Yb4 N8 71.2(4) . . ?
O99 Yb4 N8 138.7(3) . . ?
O95 Yb4 N8 115.0(3) . . ?
O97 Yb4 N8 141.5(3) . . ?
O15 Yb4 N8 69.7(3) . . ?
O20 Yb4 N8 79.9(4) . . ?
O102 Yb4 C109 99.2(4) . . ?
O19 Yb4 C109 20.7(4) . . ?
O99 Yb4 C109 94.4(4) . . ?
O95 Yb4 C109 176.0(4) . . ?
O97 Yb4 C109 108.8(4) . . ?
O15 Yb4 C109 107.9(4) . . ?
O20 Yb4 C109 46.4(4) . . ?
N8 Yb4 C109 61.0(5) . . ?
O102 Yb4 Cd13 110.9(3) . . ?
O19 Yb4 Cd13 161.3(3) . . ?
O99 Yb4 Cd13 116.1(2) . . ?
O95 Yb4 Cd13 38.0(2) . . ?
O97 Yb4 Cd13 61.0(3) . . ?
O15 Yb4 Cd13 36.4(2) . . ?
O20 Yb4 Cd13 98.6(2) . . ?
N8 Yb4 Cd13 102.1(3) . . ?
C109 Yb4 Cd13 141.0(4) . . ?
O125 Yb5 O43 85.5(2) . . ?
O125 Yb5 O39 117.9(3) . . ?
O43 Yb5 O39 129.1(3) . . ?
O125 Yb5 O123 75.3(4) . . ?
O43 Yb5 O123 77.6(2) . . ?
O39 Yb5 O123 148.6(3) . . ?
O125 Yb5 O122 141.3(4) . . ?
O43 Yb5 O122 108.2(3) . . ?
O39 Yb5 O122 81.9(3) . . ?
O123 Yb5 O122 72.8(4) . . ?
O125 Yb5 O118 80.4(3) . . ?
O43 Yb5 O118 160.1(2) . . ?
O39 Yb5 O118 70.4(2) . . ?
O123 Yb5 O118 85.2(3) . . ?
O122 Yb5 O118 75.6(4) . . ?
O125 Yb5 O44 143.1(2) . . ?
O43 Yb5 O44 63.6(3) . . ?
O39 Yb5 O44 73.8(3) . . ?
O123 Yb5 O44 114.0(2) . . ?
O122 Yb5 O44 71.8(2) . . ?
O118 Yb5 O44 134.1(2) . . ?
O125 Yb5 N20 75.6(3) . . ?
O43 Yb5 N20 73.8(4) . . ?
O39 Yb5 N20 70.2(4) . . ?
O123 Yb5 N20 140.4(3) . . ?
O122 Yb5 N20 142.5(3) . . ?
O118 Yb5 N20 115.5(3) . . ?
O44 Yb5 N20 76.6(4) . . ?
O125 Yb5 Cd19 113.0(2) . . ?
O43 Yb5 Cd19 160.7(2) . . ?
O39 Yb5 Cd19 37.6(3) . . ?
O123 Yb5 Cd19 111.7(2) . . ?
O122 Yb5 Cd19 61.4(3) . . ?
O118 Yb5 Cd19 38.1(2) . . ?
O44 Yb5 Cd19 97.0(2) . . ?
N20 Yb5 Cd19 104.1(3) . . ?
O125 Yb5 Cd18 65.8(2) . . ?
O43 Yb5 Cd18 32.4(2) . . ?
O39 Yb5 Cd18 160.9(3) . . ?
O123 Yb5 Cd18 49.4(2) . . ?
O122 Yb5 Cd18 106.9(3) . . ?
O118 Yb5 Cd18 127.8(2) . . ?
O44 Yb5 Cd18 92.6(2) . . ?
N20 Yb5 Cd18 93.9(3) . . ?
Cd19 Yb5 Cd18 161.10(3) . . ?
O116 Yb6 O27 114.7(3) . . ?
O116 Yb6 O31 87.4(3) . . ?
O27 Yb6 O31 133.5(3) . . ?
O116 Yb6 O111 76.7(4) . . ?
O27 Yb6 O111 146.6(3) . . ?
O31 Yb6 O111 75.6(3) . . ?
O116 Yb6 O110 146.9(4) . . ?
O27 Yb6 O110 79.9(3) . . ?
O31 Yb6 O110 103.9(3) . . ?
O111 Yb6 O110 76.3(4) . . ?
O116 Yb6 O107 78.4(4) . . ?
O27 Yb6 O107 72.0(2) . . ?
O31 Yb6 O107 154.4(2) . . ?
O111 Yb6 O107 80.5(4) . . ?
O110 Yb6 O107 78.7(4) . . ?
O116 Yb6 N14 75.1(3) . . ?
O27 Yb6 N14 72.3(4) . . ?
O31 Yb6 N14 75.4(4) . . ?
O111 Yb6 N14 140.0(3) . . ?
O110 Yb6 N14 137.6(3) . . ?
O107 Yb6 N14 120.1(3) . . ?
O116 Yb6 O32 140.4(3) . . ?
O27 Yb6 O32 77.9(3) . . ?
O31 Yb6 O32 61.4(4) . . ?
O111 Yb6 O32 114.3(3) . . ?
O110 Yb6 O32 69.5(3) . . ?
O107 Yb6 O32 139.3(3) . . ?
N14 Yb6 O32 73.7(4) . . ?
O116 Yb6 Cd22 108.8(3) . . ?
O27 Yb6 Cd22 37.7(2) . . ?
O31 Yb6 Cd22 163.7(3) . . ?
O111 Yb6 Cd22 109.5(3) . . ?
O110 Yb6 Cd22 63.7(3) . . ?
O107 Yb6 Cd22 38.2(2) . . ?
N14 Yb6 Cd22 106.1(3) . . ?
O32 Yb6 Cd22 103.0(3) . . ?
O116 Yb6 Cd21 65.9(3) . . ?
O27 Yb6 Cd21 169.3(2) . . ?
O31 Yb6 Cd21 36.6(2) . . ?
O111 Yb6 Cd21 43.9(3) . . ?
O110 Yb6 Cd21 105.4(3) . . ?
O107 Yb6 Cd21 117.9(2) . . ?
N14 Yb6 Cd21 98.1(3) . . ?
O32 Yb6 Cd21 95.0(3) . . ?
Cd22 Yb6 Cd21 153.00(4) . . ?
O34 Cd1 O30 149.6(3) . . ?
O34 Cd1 O73 134.0(3) . . ?
O30 Cd1 O73 74.6(2) . . ?
O34 Cd1 O71 76.3(2) . . ?
O30 Cd1 O71 96.3(2) . . ?
O73 Cd1 O71 90.5(3) . . ?
O34 Cd1 N17 83.9(4) . . ?
O30 Cd1 N17 94.5(4) . . ?
O73 Cd1 N17 112.3(4) . . ?
O71 Cd1 N17 156.6(4) . . ?
O34 Cd1 O29 84.3(3) . . ?
O30 Cd1 O29 65.5(3) . . ?
O73 Cd1 O29 139.2(2) . . ?
O71 Cd1 O29 85.8(2) . . ?
N17 Cd1 O29 79.9(4) . . ?
O34 Cd1 Yb1 156.1(2) . . ?
O30 Cd1 Yb1 38.0(2) . . ?
O73 Cd1 Yb1 41.1(2) . . ?
O71 Cd1 Yb1 80.3(2) . . ?
N17 Cd1 Yb1 119.9(4) . . ?
O29 Cd1 Yb1 98.5(2) . . ?
O129 Cd2 O34 104.2(4) . . ?
O129 Cd2 O71 115.4(5) . . ?
O34 Cd2 O71 76.3(3) . . ?
O129 Cd2 O75 96.7(5) . . ?
O34 Cd2 O75 147.4(3) . . ?
O71 Cd2 O75 116.7(4) . . ?
O129 Cd2 O33 79.5(4) . . ?
O34 Cd2 O33 65.8(4) . . ?
O71 Cd2 O33 141.8(4) . . ?
O75 Cd2 O33 94.4(3) . . ?
O129 Cd2 O76 147.9(5) . . ?
O34 Cd2 O76 97.1(3) . . ?
O71 Cd2 O76 92.6(4) . . ?
O75 Cd2 O76 54.7(4) . . ?
O33 Cd2 O76 87.9(3) . . ?
O129 Cd2 C274 125.5(6) . . ?
O34 Cd2 C274 122.9(4) . . ?
O71 Cd2 C274 101.9(5) . . ?
O75 Cd2 C274 29.1(5) . . ?
O33 Cd2 C274 95.2(3) . . ?
O76 Cd2 C274 26.1(4) . . ?
O77 Cd3 O38 108.4(3) . . ?
O77 Cd3 O79 92.3(4) . . ?
O38 Cd3 O79 97.7(3) . . ?
O77 Cd3 N19 168.5(3) . . ?
O38 Cd3 N19 78.2(4) . . ?
O79 Cd3 N19 96.2(3) . . ?
O77 Cd3 O74 85.9(4) . . ?
O38 Cd3 O74 162.7(3) . . ?
O79 Cd3 O74 91.1(3) . . ?
N19 Cd3 O74 86.2(3) . . ?
O77 Cd3 O76 84.8(4) . . ?
O38 Cd3 O76 85.2(3) . . ?
O79 Cd3 O76 176.4(4) . . ?
N19 Cd3 O76 86.4(3) . . ?
O74 Cd3 O76 86.6(4) . . ?
O77 Cd3 Yb2 85.1(3) . . ?
O38 Cd3 Yb2 34.1(3) . . ?
O79 Cd3 Yb2 73.8(2) . . ?
N19 Cd3 Yb2 104.7(3) . . ?
O74 Cd3 Yb2 162.1(3) . . ?
O76 Cd3 Yb2 107.9(3) . . ?
O2 Cd4 N1 80.0(6) . . ?
O2 Cd4 O42 147.9(6) . . ?
N1 Cd4 O42 96.3(5) . . ?
O2 Cd4 O83 139.1(5) . . ?
N1 Cd4 O83 106.6(4) . . ?
O42 Cd4 O83 72.7(3) . . ?
O2 Cd4 O81 85.7(4) . . ?
N1 Cd4 O81 165.7(4) . . ?
O42 Cd4 O81 96.0(4) . . ?
O83 Cd4 O81 84.1(5) . . ?
O2 Cd4 O41 80.7(7) . . ?
N1 Cd4 O41 93.5(7) . . ?
O42 Cd4 O41 67.7(6) . . ?
O83 Cd4 O41 137.2(5) . . ?
O81 Cd4 O41 84.4(6) . . ?
O2 Cd4 Yb2 162.7(4) . . ?
N1 Cd4 Yb2 117.3(4) . . ?
O42 Cd4 Yb2 37.8(3) . . ?
O83 Cd4 Yb2 39.0(3) . . ?
O81 Cd4 Yb2 77.0(4) . . ?
O41 Cd4 Yb2 98.1(5) . . ?
O45 Cd5 O2 135.0(7) . . ?
O45 Cd5 O46 58.1(7) . . ?
O2 Cd5 O46 81.9(5) . . ?
O45 Cd5 O131 97.9(7) . . ?
O2 Cd5 O131 124.7(7) . . ?
O46 Cd5 O131 153.2(5) . . ?
O45 Cd5 O1 82.0(6) . . ?
O2 Cd5 O1 66.1(5) . . ?
O46 Cd5 O1 72.8(4) . . ?
O131 Cd5 O1 118.9(7) . . ?
O45 Cd5 O81 104.7(7) . . ?
O2 Cd5 O81 78.8(4) . . ?
O46 Cd5 O81 72.6(5) . . ?
O131 Cd5 O81 106.1(6) . . ?
O1 Cd5 O81 133.3(4) . . ?
O45 Cd5 C244 29.5(9) . . ?
O2 Cd5 C244 108.1(8) . . ?
O46 Cd5 C244 28.6(8) . . ?
O131 Cd5 C244 126.8(8) . . ?
O1 Cd5 C244 74.5(8) . . ?
O81 Cd5 C244 89.2(8) . . ?
O47 Cd6 O6 100.9(2) . . ?
O47 Cd6 N3 168.8(3) . . ?
O6 Cd6 N3 80.0(4) . . ?
O47 Cd6 O84 91.7(4) . . ?
O6 Cd6 O84 167.3(3) . . ?
N3 Cd6 O84 87.9(3) . . ?
O47 Cd6 O46 85.8(4) . . ?
O6 Cd6 O46 90.7(3) . . ?
N3 Cd6 O46 105.4(3) . . ?
O84 Cd6 O46 89.1(4) . . ?
O47 Cd6 O52 77.9(4) . . ?
O6 Cd6 O52 77.4(3) . . ?
N3 Cd6 O52 91.5(3) . . ?
O84 Cd6 O52 106.6(4) . . ?
O46 Cd6 O52 157.5(4) . . ?
O47 Cd6 Cd7 75.2(3) . . ?
O6 Cd6 Cd7 38.3(2) . . ?
N3 Cd6 Cd7 99.8(3) . . ?
O84 Cd6 Cd7 149.8(3) . . ?
O46 Cd6 Cd7 116.3(3) . . ?
O52 Cd6 Cd7 44.5(2) . . ?
O10 Cd7 O6 125.0(4) . . ?
O10 Cd7 O48 79.3(3) . . ?
O6 Cd7 O48 83.8(3) . . ?
O10 Cd7 N5 82.7(4) . . ?
O6 Cd7 N5 98.4(4) . . ?
O48 Cd7 N5 159.3(3) . . ?
O10 Cd7 O51 96.8(3) . . ?
O6 Cd7 O51 132.3(2) . . ?
O48 Cd7 O51 82.5(3) . . ?
N5 Cd7 O51 109.8(4) . . ?
O10 Cd7 O52 150.4(3) . . ?
O6 Cd7 O52 81.0(3) . . ?
O48 Cd7 O52 91.0(4) . . ?
N5 Cd7 O52 109.7(3) . . ?
O51 Cd7 O52 53.9(3) . . ?
O10 Cd7 C252 124.5(4) . . ?
O6 Cd7 C252 106.1(4) . . ?
O48 Cd7 C252 86.7(4) . . ?
N5 Cd7 C252 112.1(4) . . ?
O51 Cd7 C252 27.8(4) . . ?
O52 Cd7 C252 26.1(4) . . ?
O10 Cd7 Cd6 144.8(3) . . ?
O6 Cd7 Cd6 38.3(2) . . ?
O48 Cd7 Cd6 69.3(2) . . ?
N5 Cd7 Cd6 124.1(3) . . ?
O51 Cd7 Cd6 94.4(2) . . ?
O52 Cd7 Cd6 48.4(3) . . ?
C252 Cd7 Cd6 70.2(4) . . ?
O54 Cd8 O10 138.6(3) . . ?
O54 Cd8 O48 108.3(3) . . ?
O10 Cd8 O48 77.8(3) . . ?
O54 Cd8 O50 111.5(4) . . ?
O10 Cd8 O50 99.7(4) . . ?
O48 Cd8 O50 118.2(4) . . ?
O54 Cd8 O9 92.4(3) . . ?
O10 Cd8 O9 66.7(4) . . ?
O48 Cd8 O9 143.0(3) . . ?
O50 Cd8 O9 79.3(4) . . ?
O54 Cd8 O49 81.7(5) . . ?
O10 Cd8 O49 139.6(3) . . ?
O48 Cd8 O49 88.0(4) . . ?
O50 Cd8 O49 54.5(5) . . ?
O9 Cd8 O49 126.0(3) . . ?
O54 Cd8 O53 55.0(4) . . ?
O10 Cd8 O53 86.9(3) . . ?
O48 Cd8 O53 82.0(3) . . ?
O50 Cd8 O53 159.6(4) . . ?
O9 Cd8 O53 85.8(3) . . ?
O49 Cd8 O53 128.7(4) . . ?
O54 Cd8 C250 99.0(5) . . ?
O10 Cd8 C250 119.3(5) . . ?
O48 Cd8 C250 105.1(5) . . ?
O50 Cd8 C250 24.9(6) . . ?
O9 Cd8 C250 101.3(5) . . ?
O49 Cd8 C250 29.6(6) . . ?
O53 Cd8 C250 153.6(5) . . ?
O56 Cd9 O14 110.3(2) . . ?
O56 Cd9 O58 89.9(4) . . ?
O14 Cd9 O58 93.3(2) . . ?
O56 Cd9 N7 166.8(3) . . ?
O14 Cd9 N7 80.6(4) . . ?
O58 Cd9 N7 96.8(3) . . ?
O56 Cd9 O53 83.7(4) . . ?
O14 Cd9 O53 83.5(3) . . ?
O58 Cd9 O53 171.3(3) . . ?
N7 Cd9 O53 90.6(3) . . ?
O56 Cd9 O51 85.0(3) . . ?
O14 Cd9 O51 160.2(2) . . ?
O58 Cd9 O51 99.5(3) . . ?
N7 Cd9 O51 82.8(3) . . ?
O53 Cd9 O51 85.8(3) . . ?
O56 Cd9 Yb3 86.0(3) . . ?
O14 Cd9 Yb3 32.5(2) . . ?
O58 Cd9 Yb3 71.6(2) . . ?
N7 Cd9 Yb3 106.8(3) . . ?
O53 Cd9 Yb3 102.0(2) . . ?
O51 Cd9 Yb3 167.3(2) . . ?
N11 Cd10 O22 84.3(4) . . ?
N11 Cd10 O60 158.0(3) . . ?
O22 Cd10 O60 75.2(3) . . ?
N11 Cd10 O18 93.9(4) . . ?
O22 Cd10 O18 152.3(3) . . ?
O60 Cd10 O18 100.6(3) . . ?
N11 Cd10 O62 107.7(3) . . ?
O22 Cd10 O62 133.7(2) . . ?
O60 Cd10 O62 92.4(4) . . ?
O18 Cd10 O62 73.2(2) . . ?
N11 Cd10 O17 83.5(4) . . ?
O22 Cd10 O17 86.8(3) . . ?
O60 Cd10 O17 87.6(3) . . ?
O18 Cd10 O17 65.6(3) . . ?
O62 Cd10 O17 138.0(2) . . ?
N11 Cd10 Yb3 118.4(4) . . ?
O22 Cd10 Yb3 157.2(3) . . ?
O60 Cd10 Yb3 82.7(2) . . ?
O18 Cd10 Yb3 37.9(2) . . ?
O62 Cd10 Yb3 40.9(2) . . ?
O17 Cd10 Yb3 97.8(2) . . ?
O22 Cd11 O66 143.3(3) . . ?
O22 Cd11 O60 75.3(3) . . ?
O66 Cd11 O60 122.8(4) . . ?
O22 Cd11 O63 101.5(4) . . ?
O66 Cd11 O63 100.2(5) . . ?
O60 Cd11 O63 111.1(5) . . ?
O22 Cd11 O65 97.9(2) . . ?
O66 Cd11 O65 56.1(4) . . ?
O60 Cd11 O65 87.2(3) . . ?
O63 Cd11 O65 156.1(5) . . ?
O22 Cd11 O21 66.9(4) . . ?
O66 Cd11 O21 90.4(3) . . ?
O60 Cd11 O21 142.2(3) . . ?
O63 Cd11 O21 76.0(4) . . ?
O65 Cd11 O21 99.3(3) . . ?
O22 Cd11 O64 134.9(4) . . ?
O66 Cd11 O64 81.7(5) . . ?
O60 Cd11 O64 80.2(4) . . ?
O63 Cd11 O64 53.8(5) . . ?
O65 Cd11 O64 118.2(4) . . ?
O21 Cd11 O64 126.3(3) . . ?
O22 Cd11 C262 117.6(6) . . ?
O66 Cd11 C262 94.3(6) . . ?
O60 Cd11 C262 93.8(6) . . ?
O63 Cd11 C262 26.5(5) . . ?
O65 Cd11 C262 143.5(6) . . ?
O21 Cd11 C262 101.9(5) . . ?
O64 Cd11 C262 27.7(6) . . ?
O22 Cd11 C264 123.6(4) . . ?
O66 Cd11 C264 27.8(5) . . ?
O60 Cd11 C264 104.8(4) . . ?
O63 Cd11 C264 128.0(6) . . ?
O65 Cd11 C264 28.4(4) . . ?
O21 Cd11 C264 97.6(3) . . ?
O64 Cd11 C264 98.9(5) . . ?
C262 Cd11 C264 118.6(7) . . ?
O68 Cd12 O70 102.8(3) . . ?
O68 Cd12 N13 156.5(3) . . ?
O70 Cd12 N13 99.4(3) . . ?
O68 Cd12 O26 107.6(3) . . ?
O70 Cd12 O26 95.8(2) . . ?
N13 Cd12 O26 77.7(4) . . ?
O68 Cd12 O61 85.6(3) . . ?
O70 Cd12 O61 91.5(3) . . ?
N13 Cd12 O61 86.0(4) . . ?
O26 Cd12 O61 162.9(2) . . ?
O68 Cd12 O65 78.1(3) . . ?
O70 Cd12 O65 177.5(4) . . ?
N13 Cd12 O65 79.4(3) . . ?
O26 Cd12 O65 86.0(2) . . ?
O61 Cd12 O65 86.2(3) . . ?
O68 Cd12 Yb1 85.8(3) . . ?
O70 Cd12 Yb1 74.7(2) . . ?
N13 Cd12 Yb1 107.8(3) . . ?
O26 Cd12 Yb1 34.6(2) . . ?
O61 Cd12 Yb1 161.7(2) . . ?
O65 Cd12 Yb1 107.7(2) . . ?
O11 Cd13 O15 149.6(4) . . ?
O11 Cd13 O98 78.2(3) . . ?
O15 Cd13 O98 98.0(3) . . ?
O11 Cd13 N6 81.4(4) . . ?
O15 Cd13 N6 99.7(4) . . ?
O98 Cd13 N6 159.6(3) . . ?
O11 Cd13 O95 136.5(3) . . ?
O15 Cd13 O95 73.3(2) . . ?
O98 Cd13 O95 91.8(3) . . ?
N6 Cd13 O95 102.9(3) . . ?
O11 Cd13 O16 82.1(4) . . ?
O15 Cd13 O16 67.6(3) . . ?
O98 Cd13 O16 87.8(3) . . ?
N6 Cd13 O16 89.7(4) . . ?
O95 Cd13 O16 140.4(3) . . ?
O11 Cd13 Yb4 159.1(3) . . ?
O15 Cd13 Yb4 39.0(2) . . ?
O98 Cd13 Yb4 81.4(2) . . ?
N6 Cd13 Yb4 118.8(3) . . ?
O95 Cd13 Yb4 39.2(3) . . ?
O16 Cd13 Yb4 102.0(3) . . ?
O11 Cd14 O94 140.4(3) . . ?
O11 Cd14 O98 76.7(3) . . ?
O94 Cd14 O98 113.2(4) . . ?
O11 Cd14 O128 97.6(4) . . ?
O94 Cd14 O128 104.6(5) . . ?
O98 Cd14 O128 126.1(5) . . ?
O11 Cd14 O127 122.0(5) . . ?
O94 Cd14 O127 97.5(5) . . ?
O98 Cd14 O127 83.6(5) . . ?
O128 Cd14 O127 53.9(6) . . ?
O11 Cd14 O93 89.5(3) . . ?
O94 Cd14 O93 55.4(4) . . ?
O98 Cd14 O93 84.9(3) . . ?
O128 Cd14 O93 149.0(5) . . ?
O127 Cd14 O93 142.5(5) . . ?
O11 Cd14 O12 65.7(3) . . ?
O94 Cd14 O12 87.2(3) . . ?
O98 Cd14 O12 138.4(3) . . ?
O128 Cd14 O12 77.8(5) . . ?
O127 Cd14 O12 131.2(4) . . ?
O93 Cd14 O12 77.8(3) . . ?
O11 Cd14 C296 113.3(4) . . ?
O94 Cd14 C296 100.4(4) . . ?
O98 Cd14 C296 107.7(4) . . ?
O128 Cd14 C296 26.0(5) . . ?
O127 Cd14 C296 28.0(5) . . ?
O93 Cd14 C296 155.7(4) . . ?
O12 Cd14 C296 103.2(4) . . ?
O11 Cd14 C292 115.7(3) . . ?
O94 Cd14 C292 26.8(4) . . ?
O98 Cd14 C292 101.7(4) . . ?
O128 Cd14 C292 127.2(5) . . ?
O127 Cd14 C292 121.5(6) . . ?
O93 Cd14 C292 28.6(4) . . ?
O12 Cd14 C292 80.2(3) . . ?
C296 Cd14 C292 127.1(5) . . ?
O7 Cd15 O91 103.1(3) . . ?
O7 Cd15 O93 91.2(3) . . ?
O91 Cd15 O93 88.4(4) . . ?
O7 Cd15 N4 79.7(4) . . ?
O91 Cd15 N4 168.1(3) . . ?
O93 Cd15 N4 103.2(3) . . ?
O7 Cd15 O96 166.3(3) . . ?
O91 Cd15 O96 90.4(4) . . ?
O93 Cd15 O96 91.0(4) . . ?
N4 Cd15 O96 86.7(3) . . ?
O3 Cd16 O7 124.9(4) . . ?
O3 Cd16 N2 84.6(5) . . ?
O7 Cd16 N2 94.4(5) . . ?
O3 Cd16 O92 76.6(3) . . ?
O7 Cd16 O92 86.3(3) . . ?
N2 Cd16 O92 157.3(4) . . ?
O3 Cd16 O90 149.5(3) . . ?
O7 Cd16 O90 80.4(2) . . ?
N2 Cd16 O90 112.4(4) . . ?
O92 Cd16 O90 90.1(3) . . ?
O3 Cd16 O89 96.0(3) . . ?
O7 Cd16 O89 133.0(2) . . ?
N2 Cd16 O89 113.3(4) . . ?
O92 Cd16 O89 81.6(3) . . ?
O90 Cd16 O89 54.5(3) . . ?
O3 Cd17 O86 140.7(3) . . ?
O3 Cd17 O87 98.2(4) . . ?
O86 Cd17 O87 109.1(4) . . ?
O3 Cd17 O92 76.9(3) . . ?
O86 Cd17 O92 111.3(3) . . ?
O87 Cd17 O92 119.0(4) . . ?
O3 Cd17 O4 67.3(4) . . ?
O86 Cd17 O4 91.7(3) . . ?
O87 Cd17 O4 76.7(4) . . ?
O92 Cd17 O4 143.0(3) . . ?
O3 Cd17 O85 89.6(3) . . ?
O86 Cd17 O85 54.7(4) . . ?
O87 Cd17 O85 156.0(4) . . ?
O92 Cd17 O85 84.9(3) . . ?
O4 Cd17 O85 85.6(3) . . ?
O3 Cd17 O88 136.4(3) . . ?
O86 Cd17 O88 82.9(4) . . ?
O87 Cd17 O88 54.3(5) . . ?
O92 Cd17 O88 87.9(4) . . ?
O4 Cd17 O88 124.7(3) . . ?
O85 Cd17 O88 130.0(4) . . ?
O3 Cd17 C286 119.6(4) . . ?
O86 Cd17 C286 96.3(5) . . ?
O87 Cd17 C286 27.7(5) . . ?
O92 Cd17 C286 104.3(5) . . ?
O4 Cd17 C286 101.5(5) . . ?
O85 Cd17 C286 150.6(5) . . ?
O88 Cd17 C286 26.6(5) . . ?
O124 Cd18 O126 90.1(4) . . ?
O124 Cd18 O43 110.1(3) . . ?
O126 Cd18 O43 93.7(2) . . ?
O124 Cd18 N22 167.1(3) . . ?
O126 Cd18 N22 96.0(3) . . ?
O43 Cd18 N22 80.9(4) . . ?
O124 Cd18 O85 83.7(3) . . ?
O126 Cd18 O85 172.5(4) . . ?
O43 Cd18 O85 84.4(2) . . ?
N22 Cd18 O85 90.9(3) . . ?
O124 Cd18 O89 85.4(3) . . ?
O126 Cd18 O89 98.0(3) . . ?
O43 Cd18 O89 160.6(2) . . ?
N22 Cd18 O89 82.5(3) . . ?
O85 Cd18 O89 85.9(3) . . ?
O124 Cd18 Yb5 84.8(2) . . ?
O126 Cd18 Yb5 72.7(2) . . ?
O43 Cd18 Yb5 32.8(2) . . ?
N22 Cd18 Yb5 107.8(3) . . ?
O85 Cd18 Yb5 102.3(2) . . ?
O89 Cd18 Yb5 166.5(2) . . ?
O35 Cd19 O121 74.8(3) . . ?
O35 Cd19 N18 83.8(5) . . ?
O121 Cd19 N18 157.9(4) . . ?
O35 Cd19 O118 136.4(3) . . ?
O121 Cd19 O118 90.2(4) . . ?
N18 Cd19 O118 109.5(4) . . ?
O35 Cd19 O39 149.7(4) . . ?
O121 Cd19 O39 98.5(3) . . ?
N18 Cd19 O39 97.2(5) . . ?
O118 Cd19 O39 71.9(2) . . ?
O35 Cd19 O40 84.5(4) . . ?
O121 Cd19 O40 88.1(3) . . ?
N18 Cd19 O40 84.4(5) . . ?
O118 Cd19 O40 136.6(3) . . ?
O39 Cd19 O40 65.5(4) . . ?
O35 Cd19 Yb5 155.0(3) . . ?
O121 Cd19 Yb5 80.3(3) . . ?
N18 Cd19 Yb5 121.2(4) . . ?
O118 Cd19 Yb5 40.1(2) . . ?
O39 Cd19 Yb5 37.3(2) . . ?
O40 Cd19 Yb5 97.2(3) . . ?
O35 Cd20 O114 144.2(3) . . ?
O35 Cd20 O121 74.9(3) . . ?
O114 Cd20 O121 119.7(4) . . ?
O35 Cd20 O120 100.0(5) . . ?
O114 Cd20 O120 99.9(6) . . ?
O121 Cd20 O120 118.3(6) . . ?
O35 Cd20 O119 129.3(5) . . ?
O114 Cd20 O119 86.3(6) . . ?
O121 Cd20 O119 82.5(5) . . ?
O120 Cd20 O119 53.2(6) . . ?
O35 Cd20 O36 69.6(5) . . ?
O114 Cd20 O36 86.6(4) . . ?
O121 Cd20 O36 143.5(4) . . ?
O120 Cd20 O36 76.6(5) . . ?
O119 Cd20 O36 127.0(4) . . ?
O35 Cd20 O113 96.7(3) . . ?
O114 Cd20 O113 54.4(4) . . ?
O121 Cd20 O113 89.1(4) . . ?
O120 Cd20 O113 150.8(6) . . ?
O119 Cd20 O113 128.0(6) . . ?
O36 Cd20 O113 87.2(4) . . ?
O35 Cd20 C316 122.3(5) . . ?
O114 Cd20 C316 27.4(5) . . ?
O121 Cd20 C316 103.9(5) . . ?
O120 Cd20 C316 126.8(7) . . ?
O119 Cd20 C316 106.9(7) . . ?
O36 Cd20 C316 88.5(4) . . ?
O113 Cd20 C316 27.1(5) . . ?
O35 Cd20 C318 113.5(5) . . ?
O114 Cd20 C318 96.8(5) . . ?
O121 Cd20 C318 99.9(6) . . ?
O120 Cd20 C318 25.3(6) . . ?
O119 Cd20 C318 28.2(6) . . ?
O36 Cd20 C318 101.4(6) . . ?
O113 Cd20 C318 149.7(6) . . ?
C316 Cd20 C318 123.2(7) . . ?
N16 Cd21 O115 95.8(3) . . ?
N16 Cd21 O112 159.0(3) . . ?
O115 Cd21 O112 100.5(4) . . ?
N16 Cd21 O117 85.7(3) . . ?
O115 Cd21 O117 89.1(4) . . ?
O112 Cd21 O117 81.6(4) . . ?
N16 Cd21 O31 78.6(4) . . ?
O115 Cd21 O31 95.2(3) . . ?
O112 Cd21 O31 112.6(3) . . ?
O117 Cd21 O31 164.0(3) . . ?
N16 Cd21 O113 85.8(3) . . ?
O115 Cd21 O113 178.1(4) . . ?
O112 Cd21 O113 77.7(4) . . ?
O117 Cd21 O113 89.9(4) . . ?
O31 Cd21 O113 86.1(3) . . ?
N16 Cd21 Yb6 109.4(3) . . ?
O115 Cd21 Yb6 74.4(3) . . ?
O112 Cd21 Yb6 87.8(3) . . ?
O117 Cd21 Yb6 158.4(2) . . ?
O31 Cd21 Yb6 35.8(3) . . ?
O113 Cd21 Yb6 106.1(3) . . ?
O23 Cd22 N12 83.7(4) . . ?
O23 Cd22 O109 77.3(3) . . ?
N12 Cd22 O109 159.5(4) . . ?
O23 Cd22 O107 132.6(3) . . ?
N12 Cd22 O107 111.6(4) . . ?
O109 Cd22 O107 87.2(4) . . ?
O23 Cd22 O27 150.6(4) . . ?
N12 Cd22 O27 94.5(4) . . ?
O109 Cd22 O27 98.4(3) . . ?
O107 Cd22 O27 75.3(2) . . ?
O23 Cd22 O28 85.0(4) . . ?
N12 Cd22 O28 82.4(4) . . ?
O109 Cd22 O28 88.4(3) . . ?
O107 Cd22 O28 139.6(2) . . ?
O27 Cd22 O28 65.7(3) . . ?
O23 Cd22 Yb6 157.1(2) . . ?
N12 Cd22 Yb6 119.2(4) . . ?
O109 Cd22 Yb6 80.2(3) . . ?
O107 Cd22 Yb6 41.4(2) . . ?
O27 Cd22 Yb6 38.2(2) . . ?
O28 Cd22 Yb6 98.4(2) . . ?
O23 Cd23 O104 151.2(5) . . ?
O23 Cd23 O106 131.5(6) . . ?
O104 Cd23 O106 68.0(8) . . ?
O23 Cd23 O109 75.1(3) . . ?
O104 Cd23 O109 109.8(7) . . ?
O106 Cd23 O109 130.2(6) . . ?
O23 Cd23 O103 98.7(3) . . ?
O104 Cd23 O103 52.9(6) . . ?
O106 Cd23 O103 114.2(6) . . ?
O109 Cd23 O103 97.3(4) . . ?
O23 Cd23 O24 66.8(4) . . ?
O104 Cd23 O24 106.3(6) . . ?
O106 Cd23 O24 76.0(6) . . ?
O109 Cd23 O24 141.5(3) . . ?
O103 Cd23 O24 93.9(4) . . ?
O23 Cd23 O105 100.1(5) . . ?
O104 Cd23 O105 108.6(7) . . ?
O106 Cd23 O105 55.6(6) . . ?
O109 Cd23 O105 81.8(6) . . ?
O103 Cd23 O105 160.2(5) . . ?
O24 Cd23 O105 99.1(5) . . ?
O23 Cd23 C306 116.0(4) . . ?
O104 Cd23 C306 90.2(7) . . ?
O106 Cd23 C306 28.4(5) . . ?
O109 Cd23 C306 107.1(6) . . ?
O103 Cd23 C306 141.4(5) . . ?
O24 Cd23 C306 85.4(4) . . ?
O105 Cd23 C306 27.3(4) . . ?
O23 Cd23 C304 124.5(6) . . ?
O104 Cd23 C304 27.2(7) . . ?
O106 Cd23 C304 92.3(8) . . ?
O109 Cd23 C304 103.8(7) . . ?
O103 Cd23 C304 25.8(6) . . ?
O24 Cd23 C304 102.2(5) . . ?
O105 Cd23 C304 135.2(7) . . ?
C306 Cd23 C304 117.0(7) . . ?
O100 Cd24 O101 89.1(4) . . ?
O100 Cd24 N10 172.8(4) . . ?
O101 Cd24 N10 98.1(4) . . ?
O100 Cd24 O103 86.5(4) . . ?
O101 Cd24 O103 174.9(4) . . ?
N10 Cd24 O103 86.3(4) . . ?
O100 Cd24 O19 102.0(3) . . ?
O101 Cd24 O19 96.9(3) . . ?
N10 Cd24 O19 78.1(4) . . ?
O103 Cd24 O19 86.5(3) . . ?
O100 Cd24 O108 91.7(4) . . ?
O101 Cd24 O108 95.9(4) . . ?
N10 Cd24 O108 86.7(3) . . ?
O103 Cd24 O108 81.7(4) . . ?
O19 Cd24 O108 161.4(3) . . ?
C8 N1 C9 117.2(18) . . ?
C8 N1 Cd4 127.0(13) . . ?
C9 N1 Cd4 114.8(13) . . ?
C15 N2 C14 111.8(15) . . ?
C15 N2 Cd16 129.6(13) . . ?
C14 N2 Cd16 118.2(11) . . ?
C30 N3 C31 115.6(13) . . ?
C30 N3 Cd6 126.5(10) . . ?
C31 N3 Cd6 117.3(9) . . ?
C37 N4 C36 113.8(14) . . ?
C37 N4 Cd15 126.1(10) . . ?
C36 N4 Cd15 119.8(11) . . ?
C52 N5 C53 120.4(16) . . ?
C52 N5 Cd7 122.3(11) . . ?
C53 N5 Cd7 117.2(12) . . ?
C59 N6 C58 120.5(14) . . ?
C59 N6 Cd13 127.0(10) . . ?
C58 N6 Cd13 112.3(11) . . ?
C74 N7 C75 119.3(13) . . ?
C74 N7 Cd9 122.1(10) . . ?
C75 N7 Cd9 117.2(9) . . ?
C81 N8 C80 119.9(15) . . ?
C81 N8 Yb4 121.8(12) . . ?
C80 N8 Yb4 117.5(10) . . ?
C96 N9 C97 115.6(13) . . ?
C96 N9 Yb3 125.8(10) . . ?
C97 N9 Yb3 118.2(8) . . ?
C103 N10 C102 115.3(14) . . ?
C103 N10 Cd24 126.1(12) . . ?
C102 N10 Cd24 117.0(10) . . ?
C118 N11 C119 110.0(15) . . ?
C118 N11 Cd10 126.1(13) . . ?
C119 N11 Cd10 122.4(10) . . ?
C125 N12 C124 117.4(11) . . ?
C125 N12 Cd22 124.9(9) . . ?
C124 N12 Cd22 117.7(8) . . ?
C140 N13 C141 119.5(9) . . ?
C140 N13 Cd12 122.0(9) . . ?
C141 N13 Cd12 117.3(7) . . ?
C147 N14 C146 110.4(10) . . ?
C147 N14 Yb6 129.9(9) . . ?
C146 N14 Yb6 118.9(7) . . ?
C162 N15 C163 114.7(9) . . ?
C162 N15 Yb1 128.7(8) . . ?
C163 N15 Yb1 115.9(6) . . ?
C169 N16 C168 118.4(11) . . ?
C169 N16 Cd21 124.4(9) . . ?
C168 N16 Cd21 117.1(7) . . ?
C184 N17 C185 124.6(13) . . ?
C184 N17 Cd1 119.7(9) . . ?
C185 N17 Cd1 115.6(9) . . ?
C191 N18 C190 119.3(13) . . ?
C191 N18 Cd19 125.2(12) . . ?
C190 N18 Cd19 115.3(8) . . ?
C206 N19 C207 117.8(10) . . ?
C206 N19 Cd3 126.0(8) . . ?
C207 N19 Cd3 116.0(8) . . ?
C213 N20 C212 115.6(10) . . ?
C213 N20 Yb5 126.8(9) . . ?
C212 N20 Yb5 116.5(7) . . ?
C228 N21 C229 113.8(12) . . ?
C228 N21 Yb2 127.1(10) . . ?
C229 N21 Yb2 117.3(6) . . ?
C235 N22 C234 117.4(11) . . ?
C235 N22 Cd18 122.5(9) . . ?
C234 N22 Cd18 120.0(8) . . ?
C2 O1 C1 116.9(16) . . ?
C2 O1 Cd5 106.8(14) . . ?
C1 O1 Cd5 121.9(13) . . ?
C7 O2 Cd4 136.1(14) . . ?
C7 O2 Cd5 119.8(13) . . ?
Cd4 O2 Cd5 103.3(7) . . ?
C21 O3 Cd16 128.7(10) . . ?
C21 O3 Cd17 123.6(10) . . ?
Cd16 O3 Cd17 107.7(4) . . ?
C20 O4 C22 119.7(13) . . ?
C20 O4 Cd17 115.0(10) . . ?
C22 O4 Cd17 120.4(11) . . ?
C24 O5 C23 116.7(11) . . ?
C29 O6 Cd6 128.0(8) . . ?
C29 O6 Cd7 124.2(9) . . ?
Cd6 O6 Cd7 103.4(4) . . ?
C43 O7 Cd16 131.0(10) . . ?
C43 O7 Cd15 123.2(9) . . ?
Cd16 O7 Cd15 104.3(4) . . ?
C42 O8 C44 117.7(13) . . ?
C46 O9 C45 120.9(14) . . ?
C46 O9 Cd8 115.5(10) . . ?
C45 O9 Cd8 119.4(12) . . ?
C51 O10 Cd7 134.5(11) . . ?
C51 O10 Cd8 120.8(11) . . ?
Cd7 O10 Cd8 104.7(5) . . ?
C65 O11 Cd13 132.8(9) . . ?
C65 O11 Cd14 123.4(9) . . ?
Cd13 O11 Cd14 103.8(4) . . ?
C64 O12 C66 115.0(12) . . ?
C64 O12 Cd14 118.1(9) . . ?
C66 O12 Cd14 126.1(9) . . ?
C68 O13 C67 115.6(11) . . ?
C68 O13 Yb3 116.0(7) . . ?
C67 O13 Yb3 128.4(9) . . ?
C73 O14 Yb3 125.4(8) . . ?
C73 O14 Cd9 119.7(8) . . ?
Yb3 O14 Cd9 114.9(4) . . ?
C87 O15 Cd13 118.8(8) . . ?
C87 O15 Yb4 133.5(10) . . ?
Cd13 O15 Yb4 104.6(3) . . ?
C86 O16 C88 120.2(14) . . ?
C86 O16 Cd13 110.7(11) . . ?
C88 O16 Cd13 126.5(11) . . ?
C90 O17 C89 117.7(12) . . ?
C90 O17 Cd10 111.6(8) . . ?
C89 O17 Cd10 125.8(8) . . ?
C95 O18 Cd10 120.9(9) . . ?
C95 O18 Yb3 132.5(9) . . ?
Cd10 O18 Yb3 105.0(4) . . ?
C109 O19 Yb4 120.6(11) . . ?
C109 O19 Cd24 123.8(12) . . ?
Yb4 O19 Cd24 115.5(5) . . ?
C108 O20 C110 112.5(13) . . ?
C108 O20 Yb4 116.1(9) . . ?
C110 O20 Yb4 130.3(10) . . ?
C112 O21 C111 113.0(14) . . ?
C112 O21 Cd11 115.4(10) . . ?
C111 O21 Cd11 118.4(11) . . ?
C117 O22 Cd11 119.2(9) . . ?
C117 O22 Cd10 128.5(10) . . ?
Cd11 O22 Cd10 105.3(4) . . ?
C131 O23 Cd22 131.0(8) . . ?
C131 O23 Cd23 123.3(8) . . ?
Cd22 O23 Cd23 105.6(4) . . ?
C130 O24 C132 120.5(12) . . ?
C130 O24 Cd23 117.9(8) . . ?
C132 O24 Cd23 121.0(9) . . ?
C134 O25 C133 117.0(9) . . ?
C134 O25 Yb1 114.2(7) . . ?
C133 O25 Yb1 128.7(6) . . ?
C139 O26 Yb1 125.1(7) . . ?
C139 O26 Cd12 123.4(6) . . ?
Yb1 O26 Cd12 110.1(3) . . ?
C153 O27 Cd22 124.9(8) . . ?
C153 O27 Yb6 130.2(7) . . ?
Cd22 O27 Yb6 104.1(3) . . ?
C152 O28 C154 117.3(11) . . ?
C152 O28 Cd22 112.4(8) . . ?
C154 O28 Cd22 124.3(8) . . ?
C155 O29 C156 118.6(10) . . ?
C155 O29 Cd1 125.7(7) . . ?
C156 O29 Cd1 109.9(7) . . ?
C161 O30 Cd1 122.1(6) . . ?
C161 O30 Yb1 133.0(6) . . ?
Cd1 O30 Yb1 104.5(4) . . ?
C175 O31 Yb6 127.7(10) . . ?
C175 O31 Cd21 124.2(9) . . ?
Yb6 O31 Cd21 107.5(4) . . ?
C174 O32 C176 116.3(12) . . ?
C174 O32 Yb6 117.6(9) . . ?
C176 O32 Yb6 125.7(8) . . ?
C178 O33 C177 119.2(12) . . ?
C178 O33 Cd2 117.6(8) . . ?
C177 O33 Cd2 120.1(9) . . ?
C183 O34 Cd1 131.5(7) . . ?
C183 O34 Cd2 121.2(7) . . ?
Cd1 O34 Cd2 105.2(3) . . ?
C197 O35 Cd20 123.6(9) . . ?
C197 O35 Cd19 128.3(9) . . ?
Cd20 O35 Cd19 108.1(5) . . ?
C196 O36 C198 117.0(15) . . ?
C196 O36 Cd20 111.6(9) . . ?
C198 O36 Cd20 125.7(12) . . ?
C200 O37 C199 117.4(13) . . ?
C200 O37 Yb2 111.4(9) . . ?
C199 O37 Yb2 128.4(10) . . ?
C205 O38 Cd3 134.3(7) . . ?
C205 O38 Yb2 112.1(7) . . ?
Cd3 O38 Yb2 113.4(5) . . ?
C219 O39 Yb5 136.7(7) . . ?
C219 O39 Cd19 117.2(7) . . ?
Yb5 O39 Cd19 105.0(4) . . ?
C218 O40 C220 120.9(13) . . ?
C218 O40 Cd19 112.5(8) . . ?
C220 O40 Cd19 123.2(9) . . ?
C222 O41 C221 95.3(17) . . ?
C222 O41 Cd4 112.6(12) . . ?
C221 O41 Cd4 127.1(16) . . ?
C227 O42 Yb2 133.9(12) . . ?
C227 O42 Cd4 116.7(11) . . ?
Yb2 O42 Cd4 104.1(5) . . ?
C241 O43 Cd18 122.4(7) . . ?
C241 O43 Yb5 122.4(7) . . ?
Cd18 O43 Yb5 114.8(4) . . ?
C240 O44 C242 115.1(9) . . ?
C240 O44 Yb5 117.0(7) . . ?
C242 O44 Yb5 127.5(6) . . ?
Cd5 O131 H13A 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 126(2) . . ?
O1 C2 C7 115.0(18) . . ?
C3 C2 C7 118(2) . . ?
C2 C3 C4 123(3) . . ?
C2 C3 H3A 118.3 . . ?
C4 C3 H3A 118.3 . . ?
C5 C4 C3 117(3) . . ?
C5 C4 H4A 121.5 . . ?
C3 C4 H4A 121.5 . . ?
C4 C5 C6 121(3) . . ?
C4 C5 H5A 119.7 . . ?
C6 C5 H5A 119.7 . . ?
C7 C6 C5 122.1(19) . . ?
C7 C6 C8 126.5(17) . . ?
C5 C6 C8 111.3(18) . . ?
O2 C7 C6 122.3(19) . . ?
O2 C7 C2 119.8(18) . . ?
C6 C7 C2 117.9(19) . . ?
N1 C8 C6 127.0(17) . . ?
N1 C8 H8A 116.5 . . ?
C6 C8 H8A 116.5 . . ?
C10 C9 N1 105.8(17) . . ?
C10 C9 H9A 110.6 . . ?
N1 C9 H9A 110.6 . . ?
C10 C9 H9B 110.6 . . ?
N1 C9 H9B 110.6 . . ?
H9A C9 H9B 108.7 . . ?
C9 C10 C11 115(2) . . ?
C9 C10 H10A 108.4 . . ?
C11 C10 H10A 108.4 . . ?
C9 C10 H10B 108.4 . . ?
C11 C10 H10B 108.4 . . ?
H10A C10 H10B 107.5 . . ?
C12 C11 C10 111.6(19) . . ?
C12 C11 H11A 109.3 . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C13 C12 C11 108.0(17) . . ?
C13 C12 H12A 110.1 . . ?
C11 C12 H12A 110.1 . . ?
C13 C12 H12B 110.1 . . ?
C11 C12 H12B 110.1 . . ?
H12A C12 H12B 108.4 . . ?
C14 C13 C12 116.4(16) . . ?
C14 C13 H13B 108.2 . . ?
C12 C13 H13B 108.2 . . ?
C14 C13 H13C 108.2 . . ?
C12 C13 H13C 108.2 . . ?
H13B C13 H13C 107.3 . . ?
C13 C14 N2 114.6(14) . . ?
C13 C14 H14A 108.6 . . ?
N2 C14 H14A 108.6 . . ?
C13 C14 H14B 108.6 . . ?
N2 C14 H14B 108.6 . . ?
H14A C14 H14B 107.6 . . ?
N2 C15 C16 120.6(18) . . ?
N2 C15 H15A 119.7 . . ?
C16 C15 H15A 119.7 . . ?
C21 C16 C15 132.3(19) . . ?
C21 C16 C17 116.2(19) . . ?
C15 C16 C17 112(2) . . ?
C18 C17 C16 122(2) . . ?
C18 C17 H17A 119.1 . . ?
C16 C17 H17A 119.1 . . ?
C17 C18 C19 119(2) . . ?
C17 C18 H18A 120.6 . . ?
C19 C18 H18A 120.6 . . ?
C18 C19 C20 121.0(18) . . ?
C18 C19 H19A 119.5 . . ?
C20 C19 H19A 119.5 . . ?
O4 C20 C21 116.7(16) . . ?
O4 C20 C19 122.8(15) . . ?
C21 C20 C19 120.0(16) . . ?
C16 C21 O3 123.3(16) . . ?
C16 C21 C20 122.0(18) . . ?
O3 C21 C20 114.7(16) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O5 C24 C29 114.4(12) . . ?
O5 C24 C25 127.2(13) . . ?
C29 C24 C25 118.4(13) . . ?
C26 C25 C24 118.2(16) . . ?
C26 C25 H25A 120.9 . . ?
C24 C25 H25A 120.9 . . ?
C27 C26 C25 125(2) . . ?
C27 C26 H26A 117.4 . . ?
C25 C26 H26A 117.4 . . ?
C26 C27 C28 119.8(19) . . ?
C26 C27 H27A 120.1 . . ?
C28 C27 H27A 120.1 . . ?
C29 C28 C27 119.0(15) . . ?
C29 C28 C30 124.2(13) . . ?
C27 C28 C30 116.8(14) . . ?
O6 C29 C28 123.0(13) . . ?
O6 C29 C24 117.3(11) . . ?
C28 C29 C24 119.2(13) . . ?
N3 C30 C28 126.9(13) . . ?
N3 C30 H30A 116.6 . . ?
C28 C30 H30A 116.6 . . ?
N3 C31 C32 106.9(13) . . ?
N3 C31 H31A 110.3 . . ?
C32 C31 H31A 110.3 . . ?
N3 C31 H31B 110.3 . . ?
C32 C31 H31B 110.3 . . ?
H31A C31 H31B 108.6 . . ?
C33 C32 C31 126(2) . . ?
C33 C32 C33' 37.1(17) . . ?
C31 C32 C33' 102(2) . . ?
C33 C32 H32O 105.8 . . ?
C31 C32 H32O 105.8 . . ?
C33' C32 H32O 89.8 . . ?
C33 C32 H32A 105.8 . . ?
C31 C32 H32A 105.8 . . ?
C33' C32 H32A 142.9 . . ?
H32O C32 H32A 106.2 . . ?
C34 C33 C32 110(2) . . ?
C34 C33 H33A 109.6 . . ?
C32 C33 H33A 109.6 . . ?
C34 C33 H33B 109.6 . . ?
C32 C33 H33B 109.6 . . ?
H33A C33 H33B 108.2 . . ?
C33 C34 C35 110(2) . . ?
C33 C34 H34A 109.6 . . ?
C35 C34 H34A 109.6 . . ?
C33 C34 H34B 109.6 . . ?
C35 C34 H34B 109.6 . . ?
H34A C34 H34B 108.2 . . ?
C34' C33' C32 110(3) . . ?
C34' C33' H33C 109.6 . . ?
C32 C33' H33C 109.6 . . ?
C34' C33' H33D 109.6 . . ?
C32 C33' H33D 109.6 . . ?
H33C C33' H33D 108.1 . . ?
C33' C34' C35 100(3) . . ?
C33' C34' H34C 111.8 . . ?
C35 C34' H34C 111.8 . . ?
C33' C34' H34D 111.8 . . ?
C35 C34' H34D 111.8 . . ?
H34C C34' H34D 109.5 . . ?
C36 C35 C34 102.1(18) . . ?
C36 C35 C34' 132(2) . . ?
C34 C35 C34' 47(2) . . ?
C36 C35 H35A 103.5 . . ?
C34 C35 H35A 79.4 . . ?
C34' C35 H35A 104.1 . . ?
C36 C35 H35B 104.6 . . ?
C34 C35 H35B 150.6 . . ?
C34' C35 H35B 104.7 . . ?
H35A C35 H35B 105.6 . . ?
N4 C36 C35 108.9(16) . . ?
N4 C36 H36A 109.9 . . ?
C35 C36 H36A 109.9 . . ?
N4 C36 H36B 109.9 . . ?
C35 C36 H36B 109.9 . . ?
H36A C36 H36B 108.3 . . ?
N4 C37 C38 125.0(14) . . ?
N4 C37 H37A 117.5 . . ?
C38 C37 H37A 117.5 . . ?
C39 C38 C43 125.2(15) . . ?
C39 C38 C37 114.1(15) . . ?
C43 C38 C37 120.7(11) . . ?
C38 C39 C40 115.3(18) . . ?
C38 C39 H39A 122.3 . . ?
C40 C39 H39A 122.3 . . ?
C41 C40 C39 125.9(19) . . ?
C41 C40 H40A 117.0 . . ?
C39 C40 H40A 117.0 . . ?
C40 C41 C42 121.1(19) . . ?
C40 C41 H41A 119.5 . . ?
C42 C41 H41A 119.5 . . ?
O8 C42 C41 130.6(16) . . ?
O8 C42 C43 110.1(12) . . ?
C41 C42 C43 119.2(16) . . ?
O7 C43 C38 129.0(12) . . ?
O7 C43 C42 117.7(13) . . ?
C38 C43 C42 112.7(12) . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O9 C45 H45A 109.5 . . ?
O9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O9 C46 C51 112.5(16) . . ?
O9 C46 C47 126.5(15) . . ?
C51 C46 C47 120.4(17) . . ?
C48 C47 C46 124.4(18) . . ?
C48 C47 H47A 117.8 . . ?
C46 C47 H47A 117.8 . . ?
C47 C48 C49 120(2) . . ?
C47 C48 H48A 119.9 . . ?
C49 C48 H48A 119.9 . . ?
C48 C49 C50 119(2) . . ?
C48 C49 H49A 120.6 . . ?
C50 C49 H49A 120.6 . . ?
C52 C50 C49 112.1(17) . . ?
C52 C50 C51 125.4(17) . . ?
C49 C50 C51 122.1(16) . . ?
O10 C51 C46 123.1(17) . . ?
O10 C51 C50 123.3(15) . . ?
C46 C51 C50 113.5(16) . . ?
N5 C52 C50 130.7(17) . . ?
N5 C52 H52A 114.6 . . ?
C50 C52 H52A 114.6 . . ?
N5 C53 C54 112.9(15) . . ?
N5 C53 H53B 109.0 . . ?
C54 C53 H53B 109.0 . . ?
N5 C53 H53A 109.0 . . ?
C54 C53 H53A 109.0 . . ?
H53B C53 H53A 107.8 . . ?
C53 C54 C55 118.3(16) . . ?
C53 C54 H54B 107.7 . . ?
C55 C54 H54B 107.7 . . ?
C53 C54 H54A 107.7 . . ?
C55 C54 H54A 107.7 . . ?
H54B C54 H54A 107.1 . . ?
C56 C55 C54 109.1(17) . . ?
C56 C55 H55A 109.9 . . ?
C54 C55 H55A 109.9 . . ?
C56 C55 H55B 109.9 . . ?
C54 C55 H55B 109.9 . . ?
H55A C55 H55B 108.3 . . ?
C55 C56 C57 125(2) . . ?
C55 C56 H56B 106.2 . . ?
C57 C56 H56B 106.2 . . ?
C55 C56 H56A 106.2 . . ?
C57 C56 H56A 106.2 . . ?
H56B C56 H56A 106.4 . . ?
C58 C57 C56 113(2) . . ?
C58 C57 H57A 108.9 . . ?
C56 C57 H57A 108.9 . . ?
C58 C57 H57B 108.9 . . ?
C56 C57 H57B 108.9 . . ?
H57A C57 H57B 107.8 . . ?
N6 C58 C57 110.5(17) . . ?
N6 C58 H58A 109.5 . . ?
C57 C58 H58A 109.5 . . ?
N6 C58 H58B 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 108.1 . . ?
N6 C59 C60 129.6(14) . . ?
N6 C59 H59A 115.2 . . ?
C60 C59 H59A 115.2 . . ?
C61 C60 C65 122.9(13) . . ?
C61 C60 C59 114.0(14) . . ?
C65 C60 C59 123.0(14) . . ?
C62 C61 C60 119.3(16) . . ?
C62 C61 H61A 120.4 . . ?
C60 C61 H61A 120.4 . . ?
C63 C62 C61 120.5(17) . . ?
C63 C62 H62A 119.8 . . ?
C61 C62 H62A 119.8 . . ?
C62 C63 C64 120.5(16) . . ?
C62 C63 H63A 119.7 . . ?
C64 C63 H63A 119.7 . . ?
O12 C64 C63 127.4(14) . . ?
O12 C64 C65 108.9(13) . . ?
C63 C64 C65 123.5(14) . . ?
O11 C65 C60 124.8(13) . . ?
O11 C65 C64 122.2(13) . . ?
C60 C65 C64 113.0(13) . . ?
O12 C66 H66A 109.5 . . ?
O12 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
O12 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O13 C67 H67A 109.5 . . ?
O13 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
O13 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C69 C68 O13 125.0(13) . . ?
C69 C68 C73 122.2(14) . . ?
O13 C68 C73 112.7(12) . . ?
C68 C69 C70 118.2(15) . . ?
C68 C69 H69A 120.9 . . ?
C70 C69 H69A 120.9 . . ?
C71 C70 C69 119.6(17) . . ?
C71 C70 H70A 120.2 . . ?
C69 C70 H70A 120.2 . . ?
C70 C71 C72 121.1(16) . . ?
C70 C71 H71A 119.4 . . ?
C72 C71 H71A 119.4 . . ?
C73 C72 C71 120.1(14) . . ?
C73 C72 C74 124.1(13) . . ?
C71 C72 C74 115.5(13) . . ?
O14 C73 C72 128.9(14) . . ?
O14 C73 C68 113.0(14) . . ?
C72 C73 C68 117.5(14) . . ?
N7 C74 C72 128.5(14) . . ?
N7 C74 H74A 115.7 . . ?
C72 C74 H74A 115.7 . . ?
N7 C75 C76 109.9(12) . . ?
N7 C75 H75A 109.7 . . ?
C76 C75 H75A 109.7 . . ?
N7 C75 H75B 109.7 . . ?
C76 C75 H75B 109.7 . . ?
H75A C75 H75B 108.2 . . ?
C75 C76 C77 111.8(11) . . ?
C75 C76 H76A 109.2 . . ?
C77 C76 H76A 109.2 . . ?
C75 C76 H76B 109.2 . . ?
C77 C76 H76B 109.2 . . ?
H76A C76 H76B 107.9 . . ?
C78 C77 C76 111.4(12) . . ?
C78 C77 H77A 109.4 . . ?
C76 C77 H77A 109.4 . . ?
C78 C77 H77B 109.4 . . ?
C76 C77 H77B 109.4 . . ?
H77A C77 H77B 108.0 . . ?
C79 C78 C77 110.9(13) . . ?
C79 C78 H78A 109.5 . . ?
C77 C78 H78A 109.5 . . ?
C79 C78 H78B 109.5 . . ?
C77 C78 H78B 109.5 . . ?
H78A C78 H78B 108.0 . . ?
C78 C79 C80 115.1(14) . . ?
C78 C79 H79A 108.5 . . ?
C80 C79 H79A 108.5 . . ?
C78 C79 H79B 108.5 . . ?
C80 C79 H79B 108.5 . . ?
H79A C79 H79B 107.5 . . ?
N8 C80 C79 112.8(14) . . ?
N8 C80 H80A 109.0 . . ?
C79 C80 H80A 109.0 . . ?
N8 C80 H80B 109.0 . . ?
C79 C80 H80B 109.0 . . ?
H80A C80 H80B 107.8 . . ?
N8 C81 C82 133.8(18) . . ?
N8 C81 H81A 113.1 . . ?
C82 C81 H81A 113.1 . . ?
C87 C82 C83 117.3(17) . . ?
C87 C82 C81 121.0(16) . . ?
C83 C82 C81 121.0(18) . . ?
C84 C83 C82 119(2) . . ?
C84 C83 H83A 120.5 . . ?
C82 C83 H83A 120.5 . . ?
C83 C84 C85 123(3) . . ?
C83 C84 H84A 118.3 . . ?
C85 C84 H84A 118.3 . . ?
C84 C85 C86 116(2) . . ?
C84 C85 H85A 121.9 . . ?
C86 C85 H85A 121.9 . . ?
C87 C86 C85 126.8(19) . . ?
C87 C86 O16 116.3(18) . . ?
C85 C86 O16 116.7(17) . . ?
C86 C87 O15 124.5(15) . . ?
C86 C87 C82 117.0(17) . . ?
O15 C87 C82 118.5(13) . . ?
O16 C88 H88A 109.5 . . ?
O16 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
O16 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O17 C89 H89A 109.5 . . ?
O17 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
O17 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
O17 C90 C95 118.2(14) . . ?
O17 C90 C91 125.4(14) . . ?
C95 C90 C91 116.4(16) . . ?
C92 C91 C90 123.2(16) . . ?
C92 C91 H91A 118.4 . . ?
C90 C91 H91A 118.4 . . ?
C91 C92 C93 120.0(16) . . ?
C91 C92 H92A 120.0 . . ?
C93 C92 H92A 120.0 . . ?
C92 C93 C94 121.4(17) . . ?
C92 C93 H93A 119.3 . . ?
C94 C93 H93A 119.3 . . ?
C95 C94 C96 125.5(13) . . ?
C95 C94 C93 117.5(14) . . ?
C96 C94 C93 117.0(15) . . ?
O18 C95 C94 122.2(13) . . ?
O18 C95 C90 116.5(15) . . ?
C94 C95 C90 121.3(14) . . ?
N9 C96 C94 128.3(15) . . ?
N9 C96 H96A 115.9 . . ?
C94 C96 H96A 115.9 . . ?
N9 C97 C98 112.8(12) . . ?
N9 C97 H97A 109.0 . . ?
C98 C97 H97A 109.0 . . ?
N9 C97 H97B 109.0 . . ?
C98 C97 H97B 109.0 . . ?
H97A C97 H97B 107.8 . . ?
C97 C98 C99 112.8(13) . . ?
C97 C98 H98A 109.0 . . ?
C99 C98 H98A 109.0 . . ?
C97 C98 H98B 109.0 . . ?
C99 C98 H98B 109.0 . . ?
H98A C98 H98B 107.8 . . ?
C100 C99 C98 116.3(14) . . ?
C100 C99 H99A 108.2 . . ?
C98 C99 H99A 108.2 . . ?
C100 C99 H99B 108.2 . . ?
C98 C99 H99B 108.2 . . ?
H99A C99 H99B 107.4 . . ?
C101 C100 C99 116.5(14) . . ?
C101 C100 H10C 108.2 . . ?
C99 C100 H10C 108.2 . . ?
C101 C100 H10D 108.2 . . ?
C99 C100 H10D 108.2 . . ?
H10C C100 H10D 107.3 . . ?
C102 C101 C100 113.0(14) . . ?
C102 C101 H10E 109.0 . . ?
C100 C101 H10E 109.0 . . ?
C102 C101 H10F 109.0 . . ?
C100 C101 H10F 109.0 . . ?
H10E C101 H10F 107.8 . . ?
N10 C102 C101 114.7(12) . . ?
N10 C102 H10G 108.6 . . ?
C101 C102 H10G 108.6 . . ?
N10 C102 H10H 108.6 . . ?
C101 C102 H10H 108.6 . . ?
H10G C102 H10H 107.6 . . ?
N10 C103 C104 128.0(18) . . ?
N10 C103 H10I 116.0 . . ?
C104 C103 H10I 116.0 . . ?
C105 C104 C103 115.3(19) . . ?
C105 C104 C109 122.0(19) . . ?
C103 C104 C109 122.8(18) . . ?
C104 C105 C106 127(3) . . ?
C104 C105 H10J 116.7 . . ?
C106 C105 H10J 116.7 . . ?
C107 C106 C105 113(4) . . ?
C107 C106 H10K 123.7 . . ?
C105 C106 H10K 123.7 . . ?
C106 C107 C108 119(3) . . ?
C106 C107 H10L 120.5 . . ?
C108 C107 H10L 120.5 . . ?
C109 C108 O20 107.5(16) . . ?
C109 C108 C107 125.6(16) . . ?
O20 C108 C107 124.0(15) . . ?
O19 C109 C108 120.3(17) . . ?
O19 C109 C104 125.8(17) . . ?
C108 C109 C104 113.8(18) . . ?
O19 C109 Yb4 38.7(9) . . ?
C108 C109 Yb4 87.1(12) . . ?
C104 C109 Yb4 149.1(15) . . ?
O20 C110 H11C 109.5 . . ?
O20 C110 H11D 109.5 . . ?
H11C C110 H11D 109.5 . . ?
O20 C110 H11E 109.5 . . ?
H11C C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
O21 C111 H11F 109.5 . . ?
O21 C111 H11G 109.5 . . ?
H11F C111 H11G 109.5 . . ?
O21 C111 H11H 109.5 . . ?
H11F C111 H11H 109.5 . . ?
H11G C111 H11H 109.5 . . ?
O21 C112 C113 131.6(17) . . ?
O21 C112 C117 112.4(13) . . ?
C113 C112 C117 116.0(18) . . ?
C114 C113 C112 124(2) . . ?
C114 C113 H11I 118.2 . . ?
C112 C113 H11I 118.2 . . ?
C115 C114 C113 118(2) . . ?
C115 C114 H11J 120.9 . . ?
C113 C114 H11J 120.9 . . ?
C114 C115 C116 128(2) . . ?
C114 C115 H11K 116.1 . . ?
C116 C115 H11K 116.1 . . ?
C117 C116 C115 115.4(16) . . ?
C117 C116 C118 126.5(14) . . ?
C115 C116 C118 118.0(17) . . ?
O22 C117 C116 124.5(15) . . ?
O22 C117 C112 117.4(15) . . ?
C116 C117 C112 118.1(13) . . ?
N11 C118 C116 126.4(18) . . ?
N11 C118 H11L 116.8 . . ?
C116 C118 H11L 116.8 . . ?
N11 C119 C120 107.3(14) . . ?
N11 C119 H11M 110.2 . . ?
C120 C119 H11M 110.2 . . ?
N11 C119 H11N 110.2 . . ?
C120 C119 H11N 110.2 . . ?
H11M C119 H11N 108.5 . . ?
C119 C120 C121 108.3(13) . . ?
C119 C120 H12C 110.0 . . ?
C121 C120 H12C 110.0 . . ?
C119 C120 H12D 110.0 . . ?
C121 C120 H12D 110.0 . . ?
H12C C120 H12D 108.4 . . ?
C122 C121 C120 106.6(14) . . ?
C122 C121 H12E 110.4 . . ?
C120 C121 H12E 110.4 . . ?
C122 C121 H12F 110.4 . . ?
C120 C121 H12F 110.4 . . ?
H12E C121 H12F 108.6 . . ?
C121 C122 C123 114.6(18) . . ?
C121 C122 H12G 108.6 . . ?
C123 C122 H12G 108.6 . . ?
C121 C122 H12H 108.6 . . ?
C123 C122 H12H 108.6 . . ?
H12G C122 H12H 107.6 . . ?
C122 C123 C124 113.7(19) . . ?
C122 C123 H12I 108.8 . . ?
C124 C123 H12I 108.8 . . ?
C122 C123 H12J 108.8 . . ?
C124 C123 H12J 108.8 . . ?
H12I C123 H12J 107.7 . . ?
N12 C124 C123 109.5(15) . . ?
N12 C124 H12K 109.8 . . ?
C123 C124 H12K 109.8 . . ?
N12 C124 H12L 109.8 . . ?
C123 C124 H12L 109.8 . . ?
H12K C124 H12L 108.2 . . ?
N12 C125 C126 130.9(15) . . ?
N12 C125 H12M 114.5 . . ?
C126 C125 H12M 114.5 . . ?
C131 C126 C125 126.5(17) . . ?
C131 C126 C127 114.6(17) . . ?
C125 C126 C127 118.9(16) . . ?
C128 C127 C126 124.4(17) . . ?
C128 C127 H12N 117.8 . . ?
C126 C127 H12N 117.8 . . ?
C127 C128 C129 121.1(19) . . ?
C127 C128 H12O 119.5 . . ?
C129 C128 H12O 119.5 . . ?
C130 C129 C128 116.5(19) . . ?
C130 C129 H12P 121.8 . . ?
C128 C129 H12P 121.8 . . ?
C129 C130 O24 122.5(16) . . ?
C129 C130 C131 124.1(16) . . ?
O24 C130 C131 113.3(13) . . ?
O23 C131 C130 118.3(14) . . ?
O23 C131 C126 122.7(16) . . ?
C130 C131 C126 119.1(16) . . ?
O24 C132 H13D 109.5 . . ?
O24 C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
O24 C132 H13F 109.5 . . ?
H13D C132 H13F 109.5 . . ?
H13E C132 H13F 109.5 . . ?
O25 C133 H13G 109.5 . . ?
O25 C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
O25 C133 H13I 109.5 . . ?
H13G C133 H13I 109.5 . . ?
H13H C133 H13I 109.5 . . ?
C139 C134 O25 115.4(12) . . ?
C139 C134 C135 122.3(16) . . ?
O25 C134 C135 122.3(16) . . ?
C136 C135 C134 118(2) . . ?
C136 C135 H13J 120.8 . . ?
C134 C135 H13J 120.8 . . ?
C135 C136 C137 121.5(17) . . ?
C135 C136 H13K 119.3 . . ?
C137 C136 H13K 119.3 . . ?
C138 C137 C136 118.6(17) . . ?
C138 C137 H13L 120.7 . . ?
C136 C137 H13L 120.7 . . ?
C137 C138 C139 124.1(18) . . ?
C137 C138 C140 114.8(15) . . ?
C139 C138 C140 121.0(13) . . ?
O26 C139 C134 119.2(13) . . ?
O26 C139 C138 125.9(14) . . ?
C134 C139 C138 115.0(13) . . ?
N13 C140 C138 131.7(12) . . ?
N13 C140 H14C 114.1 . . ?
C138 C140 H14C 114.1 . . ?
C142 C141 N13 108.4(11) . . ?
C142 C141 H14D 110.0 . . ?
N13 C141 H14D 110.0 . . ?
C142 C141 H14E 110.0 . . ?
N13 C141 H14E 110.0 . . ?
H14D C141 H14E 108.4 . . ?
C141 C142 C143 108.8(12) . . ?
C141 C142 H14F 109.9 . . ?
C143 C142 H14F 109.9 . . ?
C141 C142 H14G 109.9 . . ?
C143 C142 H14G 109.9 . . ?
H14F C142 H14G 108.3 . . ?
C144 C143 C142 112.4(13) . . ?
C144 C143 H14H 109.1 . . ?
C142 C143 H14H 109.1 . . ?
C144 C143 H14I 109.1 . . ?
C142 C143 H14I 109.1 . . ?
H14H C143 H14I 107.9 . . ?
C143 C144 C145 108.8(14) . . ?
C143 C144 H14J 109.9 . . ?
C145 C144 H14J 109.9 . . ?
C143 C144 H14K 109.9 . . ?
C145 C144 H14K 109.9 . . ?
H14J C144 H14K 108.3 . . ?
C146 C145 C144 113.6(14) . . ?
C146 C145 H14L 108.9 . . ?
C144 C145 H14L 108.9 . . ?
C146 C145 H14M 108.9 . . ?
C144 C145 H14M 108.9 . . ?
H14L C145 H14M 107.7 . . ?
N14 C146 C145 110.9(13) . . ?
N14 C146 H14N 109.5 . . ?
C145 C146 H14N 109.5 . . ?
N14 C146 H14O 109.5 . . ?
C145 C146 H14O 109.5 . . ?
H14N C146 H14O 108.0 . . ?
N14 C147 C148 125.3(14) . . ?
N14 C147 H14P 117.4 . . ?
C148 C147 H14P 117.4 . . ?
C153 C148 C149 119.8(17) . . ?
C153 C148 C147 121.3(15) . . ?
C149 C148 C147 118.6(16) . . ?
C150 C149 C148 119.5(19) . . ?
C150 C149 H14Q 120.2 . . ?
C148 C149 H14Q 120.2 . . ?
C151 C150 C149 121(2) . . ?
C151 C150 H15B 119.3 . . ?
C149 C150 H15B 119.3 . . ?
C150 C151 C152 126(2) . . ?
C150 C151 H15C 117.0 . . ?
C152 C151 H15C 117.0 . . ?
O28 C152 C151 129.0(18) . . ?
O28 C152 C153 118.3(13) . . ?
C151 C152 C153 112.7(17) . . ?
O27 C153 C148 128.5(16) . . ?
O27 C153 C152 111.1(13) . . ?
C148 C153 C152 120.3(14) . . ?
O28 C154 H15D 109.5 . . ?
O28 C154 H15E 109.5 . . ?
H15D C154 H15E 109.5 . . ?
O28 C154 H15F 109.5 . . ?
H15D C154 H15F 109.5 . . ?
H15E C154 H15F 109.5 . . ?
O29 C155 H15G 109.5 . . ?
O29 C155 H15H 109.5 . . ?
H15G C155 H15H 109.5 . . ?
O29 C155 H15I 109.5 . . ?
H15G C155 H15I 109.5 . . ?
H15H C155 H15I 109.5 . . ?
C161 C156 C157 122.5(17) . . ?
C161 C156 O29 117.7(13) . . ?
C157 C156 O29 119.8(16) . . ?
C158 C157 C156 117.6(19) . . ?
C158 C157 H15J 121.2 . . ?
C156 C157 H15J 121.2 . . ?
C157 C158 C159 122.6(17) . . ?
C157 C158 H15K 118.7 . . ?
C159 C158 H15K 118.7 . . ?
C158 C159 C160 121.7(17) . . ?
C158 C159 H15L 119.2 . . ?
C160 C159 H15L 119.2 . . ?
C161 C160 C159 115.4(17) . . ?
C161 C160 C162 127.0(14) . . ?
C159 C160 C162 117.6(15) . . ?
C156 C161 C160 120.1(14) . . ?
C156 C161 O30 116.2(12) . . ?
C160 C161 O30 123.7(14) . . ?
N15 C162 C160 124.9(13) . . ?
N15 C162 H16A 117.6 . . ?
C160 C162 H16A 117.6 . . ?
C164 C163 N15 106.5(12) . . ?
C164 C163 H16B 110.4 . . ?
N15 C163 H16B 110.4 . . ?
C164 C163 H16C 110.4 . . ?
N15 C163 H16C 110.4 . . ?
H16B C163 H16C 108.6 . . ?
C163 C164 C165 109.4(13) . . ?
C163 C164 H16D 109.8 . . ?
C165 C164 H16D 109.8 . . ?
C163 C164 H16E 109.8 . . ?
C165 C164 H16E 109.8 . . ?
H16D C164 H16E 108.2 . . ?
C166 C165 C164 108.9(13) . . ?
C166 C165 H16F 109.9 . . ?
C164 C165 H16F 109.9 . . ?
C166 C165 H16G 109.9 . . ?
C164 C165 H16G 109.9 . . ?
H16F C165 H16G 108.3 . . ?
C165 C166 C167 113.7(14) . . ?
C165 C166 H16H 108.8 . . ?
C167 C166 H16H 108.8 . . ?
C165 C166 H16I 108.8 . . ?
C167 C166 H16I 108.8 . . ?
H16H C166 H16I 107.7 . . ?
C168 C167 C166 109.2(14) . . ?
C168 C167 H16J 109.8 . . ?
C166 C167 H16J 109.8 . . ?
C168 C167 H16K 109.8 . . ?
C166 C167 H16K 109.8 . . ?
H16J C167 H16K 108.3 . . ?
C167 C168 N16 109.7(14) . . ?
C167 C168 H16L 109.7 . . ?
N16 C168 H16L 109.7 . . ?
C167 C168 H16M 109.7 . . ?
N16 C168 H16M 109.7 . . ?
H16L C168 H16M 108.2 . . ?
N16 C169 C170 127.0(16) . . ?
N16 C169 H16N 116.5 . . ?
C170 C169 H16N 116.5 . . ?
C175 C170 C169 126.7(19) . . ?
C175 C170 C171 122(2) . . ?
C169 C170 C171 111(2) . . ?
C172 C171 C170 123(2) . . ?
C172 C171 H17B 118.5 . . ?
C170 C171 H17B 118.5 . . ?
C171 C172 C173 112(2) . . ?
C171 C172 H17C 123.8 . . ?
C173 C172 H17C 123.8 . . ?
C174 C173 C172 122(2) . . ?
C174 C173 H17E 118.8 . . ?
C172 C173 H17E 118.8 . . ?
C173 C174 O32 126(2) . . ?
C173 C174 C175 124(2) . . ?
O32 C174 C175 107.5(15) . . ?
O31 C175 C170 125(2) . . ?
O31 C175 C174 119.3(18) . . ?
C170 C175 C174 114.4(18) . . ?
O32 C176 H17F 109.5 . . ?
O32 C176 H17G 109.5 . . ?
H17F C176 H17G 109.5 . . ?
O32 C176 H17H 109.5 . . ?
H17F C176 H17H 109.5 . . ?
H17G C176 H17H 109.5 . . ?
O33 C177 H17I 109.5 . . ?
O33 C177 H17J 109.5 . . ?
H17I C177 H17J 109.5 . . ?
O33 C177 H17K 109.5 . . ?
H17I C177 H17K 109.5 . . ?
H17J C177 H17K 109.5 . . ?
C179 C178 O33 125.1(17) . . ?
C179 C178 C183 123.4(17) . . ?
O33 C178 C183 111.4(13) . . ?
C178 C179 C180 115(2) . . ?
C178 C179 H17L 122.3 . . ?
C180 C179 H17L 122.3 . . ?
C181 C180 C179 126(2) . . ?
C181 C180 H18B 116.9 . . ?
C179 C180 H18B 116.9 . . ?
C180 C181 C182 120(2) . . ?
C180 C181 H18C 120.0 . . ?
C182 C181 H18C 120.0 . . ?
C184 C182 C183 128.2(17) . . ?
C184 C182 C181 116.4(18) . . ?
C183 C182 C181 115.1(18) . . ?
O34 C183 C178 118.2(13) . . ?
O34 C183 C182 121.8(15) . . ?
C178 C183 C182 119.7(14) . . ?
N17 C184 C182 134.2(17) . . ?
N17 C184 H18D 112.9 . . ?
C182 C184 H18D 112.9 . . ?
N17 C185 C186 110.4(15) . . ?
N17 C185 H18E 109.6 . . ?
C186 C185 H18E 109.6 . . ?
N17 C185 H18F 109.6 . . ?
C186 C185 H18F 109.6 . . ?
H18E C185 H18F 108.1 . . ?
C185 C186 C187 107(2) . . ?
C185 C186 H18G 110.4 . . ?
C187 C186 H18G 110.4 . . ?
C185 C186 H18H 110.4 . . ?
C187 C186 H18H 110.4 . . ?
H18G C186 H18H 108.6 . . ?
C188 C187 C186 115(2) . . ?
C188 C187 H18I 108.5 . . ?
C186 C187 H18I 108.5 . . ?
C188 C187 H18J 108.5 . . ?
C186 C187 H18J 108.5 . . ?
H18I C187 H18J 107.5 . . ?
C187 C188 C189 117(2) . . ?
C187 C188 H18K 107.9 . . ?
C189 C188 H18K 108.0 . . ?
C187 C188 H18L 108.0 . . ?
C189 C188 H18L 108.0 . . ?
H18K C188 H18L 107.2 . . ?
C188 C189 C190 103(2) . . ?
C188 C189 H18M 111.2 . . ?
C190 C189 H18M 111.2 . . ?
C188 C189 H18N 111.2 . . ?
C190 C189 H18N 111.2 . . ?
H18M C189 H18N 109.1 . . ?
N18 C190 C189 105.8(17) . . ?
N18 C190 H19B 110.6 . . ?
C189 C190 H19B 110.6 . . ?
N18 C190 H19C 110.6 . . ?
C189 C190 H19C 110.6 . . ?
H19B C190 H19C 108.7 . . ?
N18 C191 C192 128.0(19) . . ?
N18 C191 H19D 116.0 . . ?
C192 C191 H19D 116.0 . . ?
C197 C192 C193 124(3) . . ?
C197 C192 C191 127(2) . . ?
C193 C192 C191 108(3) . . ?
C194 C193 C192 113(3) . . ?
C194 C193 H19E 123.6 . . ?
C192 C193 H19E 123.6 . . ?
C193 C194 C195 125(3) . . ?
C193 C194 H19G 117.4 . . ?
C195 C194 H19G 117.4 . . ?
C196 C195 C194 113(3) . . ?
C196 C195 H19H 123.5 . . ?
C194 C195 H19H 123.5 . . ?
O36 C196 C195 118(2) . . ?
O36 C196 C197 118.8(16) . . ?
C195 C196 C197 124(2) . . ?
O35 C197 C192 125.9(17) . . ?
O35 C197 C196 114.3(17) . . ?
C192 C197 C196 119(2) . . ?
O36 C198 H19J 109.5 . . ?
O36 C198 H19K 109.5 . . ?
H19J C198 H19K 109.5 . . ?
O36 C198 H19L 109.5 . . ?
H19J C198 H19L 109.5 . . ?
H19K C198 H19L 109.5 . . ?
O37 C199 H19M 109.5 . . ?
O37 C199 H19N 109.5 . . ?
H19M C199 H19N 109.5 . . ?
O37 C199 H19O 109.5 . . ?
H19M C199 H19O 109.5 . . ?
H19N C199 H19O 109.5 . . ?
C205 C200 O37 110.5(18) . . ?
C205 C200 C201 129(2) . . ?
O37 C200 C201 120.3(17) . . ?
C200 C201 C202 112(2) . . ?
C200 C201 H20A 123.8 . . ?
C202 C201 H20A 123.8 . . ?
C203 C202 C201 118(3) . . ?
C203 C202 H20C 121.1 . . ?
C201 C202 H20C 121.1 . . ?
C202 C203 C204 126(3) . . ?
C202 C203 H20D 117.2 . . ?
C204 C203 H20D 117.2 . . ?
C203 C204 C206 118.8(19) . . ?
C203 C204 C205 116.3(19) . . ?
C206 C204 C205 124.5(17) . . ?
C200 C205 O38 125.3(16) . . ?
C200 C205 C204 116.2(19) . . ?
O38 C205 C204 117.8(15) . . ?
C200 C205 Yb2 88.3(13) . . ?
O38 C205 Yb2 44.5(6) . . ?
C204 C205 Yb2 150.5(13) . . ?
N19 C206 C204 129.9(15) . . ?
N19 C206 H20E 115.0 . . ?
C204 C206 H20E 115.0 . . ?
N19 C207 C208 107.1(10) . . ?
N19 C207 H20F 110.3 . . ?
C208 C207 H20F 110.3 . . ?
N19 C207 H20G 110.3 . . ?
C208 C207 H20G 110.3 . . ?
H20F C207 H20G 108.5 . . ?
C209 C208 C207 106.2(11) . . ?
C209 C208 H20H 110.5 . . ?
C207 C208 H20H 110.5 . . ?
C209 C208 H20I 110.5 . . ?
C207 C208 H20I 110.5 . . ?
H20H C208 H20I 108.7 . . ?
C210 C209 C208 110.9(12) . . ?
C210 C209 H20J 109.5 . . ?
C208 C209 H20J 109.5 . . ?
C210 C209 H20K 109.5 . . ?
C208 C209 H20K 109.5 . . ?
H20J C209 H20K 108.0 . . ?
C209 C210 C211 111.7(12) . . ?
C209 C210 H21A 109.3 . . ?
C211 C210 H21A 109.3 . . ?
C209 C210 H21B 109.3 . . ?
C211 C210 H21B 109.3 . . ?
H21A C210 H21B 107.9 . . ?
C212 C211 C210 109.0(11) . . ?
C212 C211 H21C 109.9 . . ?
C210 C211 H21C 109.9 . . ?
C212 C211 H21D 109.9 . . ?
C210 C211 H21D 109.9 . . ?
H21C C211 H21D 108.3 . . ?
N20 C212 C211 106.9(10) . . ?
N20 C212 H21E 110.3 . . ?
C211 C212 H21E 110.3 . . ?
N20 C212 H21F 110.3 . . ?
C211 C212 H21F 110.3 . . ?
H21E C212 H21F 108.6 . . ?
N20 C213 C214 128.9(17) . . ?
N20 C213 H21G 115.5 . . ?
C214 C213 H21G 115.5 . . ?
C213 C214 C215 119.5(17) . . ?
C213 C214 C219 125.5(15) . . ?
C215 C214 C219 114.9(15) . . ?
C216 C215 C214 122.0(19) . . ?
C216 C215 H21H 119.0 . . ?
C214 C215 H21H 119.0 . . ?
C215 C216 C217 124(2) . . ?
C215 C216 H21I 117.9 . . ?
C217 C216 H21I 117.9 . . ?
C216 C217 C218 116.0(19) . . ?
C216 C217 H21J 122.0 . . ?
C218 C217 H21J 122.0 . . ?
O40 C218 C219 117.7(15) . . ?
O40 C218 C217 122.0(17) . . ?
C219 C218 C217 119.9(18) . . ?
O39 C219 C218 117.6(16) . . ?
O39 C219 C214 119.2(14) . . ?
C218 C219 C214 123.0(15) . . ?
O40 C220 H22D 109.5 . . ?
O40 C220 H22E 109.5 . . ?
H22D C220 H22E 109.5 . . ?
O40 C220 H22F 109.5 . . ?
H22D C220 H22F 109.5 . . ?
H22E C220 H22F 109.5 . . ?
O41 C221 H22G 109.5 . . ?
O41 C221 H22H 109.5 . . ?
H22G C221 H22H 109.5 . . ?
O41 C221 H22I 109.5 . . ?
H22G C221 H22I 109.5 . . ?
H22H C221 H22I 109.5 . . ?
C227 C222 C223 114(3) . . ?
C227 C222 O41 101(2) . . ?
C223 C222 O41 129(3) . . ?
C224 C223 C222 120(4) . . ?
C224 C223 H22K 120.1 . . ?
C222 C223 H22K 120.1 . . ?
C223 C224 C225 107(4) . . ?
C223 C224 H22L 126.3 . . ?
C225 C224 H22L 126.3 . . ?
C224 C225 C226 119(3) . . ?
C224 C225 H22M 120.3 . . ?
C226 C225 H22M 120.3 . . ?
C228 C226 C225 112(2) . . ?
C228 C226 C227 123(2) . . ?
C225 C226 C227 124(2) . . ?
O42 C227 C222 129(3) . . ?
O42 C227 C226 116.6(18) . . ?
C222 C227 C226 112(2) . . ?
N21 C228 C226 126.3(19) . . ?
N21 C228 H22N 116.9 . . ?
C226 C228 H22N 116.9 . . ?
N21 C229 C230 106.9(12) . . ?
N21 C229 H22O 110.3 . . ?
C230 C229 H22O 110.3 . . ?
N21 C229 H22P 110.3 . . ?
C230 C229 H22P 110.3 . . ?
H22O C229 H22P 108.6 . . ?
C231 C230 C229 111.9(13) . . ?
C231 C230 H23D 109.2 . . ?
C229 C230 H23D 109.2 . . ?
C231 C230 H23E 109.2 . . ?
C229 C230 H23E 109.2 . . ?
H23D C230 H23E 107.9 . . ?
C232 C231 C230 113.9(14) . . ?
C232 C231 H23F 108.8 . . ?
C230 C231 H23F 108.8 . . ?
C232 C231 H23G 108.8 . . ?
C230 C231 H23G 108.8 . . ?
H23F C231 H23G 107.7 . . ?
C231 C232 C233 117.0(13) . . ?
C231 C232 H23H 108.1 . . ?
C233 C232 H23H 108.1 . . ?
C231 C232 H23I 108.1 . . ?
C233 C232 H23I 108.1 . . ?
H23H C232 H23I 107.3 . . ?
C232 C233 C234 110.7(12) . . ?
C232 C233 H23J 109.5 . . ?
C234 C233 H23J 109.5 . . ?
C232 C233 H23K 109.5 . . ?
C234 C233 H23K 109.5 . . ?
H23J C233 H23K 108.1 . . ?
N22 C234 C233 110.7(11) . . ?
N22 C234 H23L 109.5 . . ?
C233 C234 H23L 109.5 . . ?
N22 C234 H23M 109.5 . . ?
C233 C234 H23M 109.5 . . ?
H23L C234 H23M 108.1 . . ?
N22 C235 C236 130.6(16) . . ?
N22 C235 H23N 114.7 . . ?
C236 C235 H23N 114.7 . . ?
C237 C236 C241 116.4(16) . . ?
C237 C236 C235 118.3(16) . . ?
C241 C236 C235 124.7(15) . . ?
C238 C237 C236 118.6(19) . . ?
C238 C237 H23O 120.7 . . ?
C236 C237 H23O 120.7 . . ?
C237 C238 C239 128(2) . . ?
C237 C238 H23P 116.0 . . ?
C239 C238 H23P 116.0 . . ?
C238 C239 C240 118.7(17) . . ?
C238 C239 H23Q 120.6 . . ?
C240 C239 H23Q 120.6 . . ?
O44 C240 C239 129.5(14) . . ?
O44 C240 C241 116.5(13) . . ?
C239 C240 C241 114.0(15) . . ?
O43 C241 C236 122.3(15) . . ?
O43 C241 C240 113.8(14) . . ?
C236 C241 C240 123.7(16) . . ?
O44 C242 H24A 109.5 . . ?
O44 C242 H24B 109.5 . . ?
H24A C242 H24B 109.5 . . ?
O44 C242 H24C 109.5 . . ?
H24A C242 H24C 109.5 . . ?
H24B C242 H24C 109.5 . . ?
C244 C243 H24D 109.5 . . ?
C244 C243 H24E 109.5 . . ?
H24D C243 H24E 109.5 . . ?
C244 C243 H24F 109.5 . . ?
H24D C243 H24F 109.5 . . ?
H24E C243 H24F 109.5 . . ?
O46 C244 O45 114(2) . . ?
O46 C244 C243 137(3) . . ?
O45 C244 C243 109(3) . . ?
O46 C244 Cd5 62.4(11) . . ?
O45 C244 Cd5 51.7(12) . . ?
C243 C244 Cd5 161(3) . . ?
C246 C245 H24G 109.5 . . ?
C246 C245 H24H 109.5 . . ?
H24G C245 H24H 109.5 . . ?
C246 C245 H24I 109.5 . . ?
H24G C245 H24I 109.5 . . ?
H24H C245 H24I 109.5 . . ?
O47 C246 O48 118.8(12) . . ?
O47 C246 C245 119.2(14) . . ?
O48 C246 C245 120.5(13) . . ?
C248 C247 H24J 109.5 . . ?
C248 C247 H24K 109.5 . . ?
H24J C247 H24K 109.5 . . ?
C248 C247 H24L 109.5 . . ?
H24J C247 H24L 109.5 . . ?
H24K C247 H24L 109.5 . . ?
O55 C248 O56 124.0(13) . . ?
O55 C248 C247 121.6(12) . . ?
O56 C248 C247 114.3(12) . . ?
C250 C249 H24M 109.5 . . ?
C250 C249 H24N 109.5 . . ?
H24M C249 H24N 109.5 . . ?
C250 C249 H24O 109.5 . . ?
H24M C249 H24O 109.5 . . ?
H24N C249 H24O 109.5 . . ?
O50 C250 O49 123(2) . . ?
O50 C250 C249 120(2) . . ?
O49 C250 C249 117(2) . . ?
O50 C250 Cd8 57.4(12) . . ?
O49 C250 Cd8 65.7(11) . . ?
C249 C250 Cd8 177.3(19) . . ?
C252 C251 H25B 109.5 . . ?
C252 C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
C252 C251 H25D 109.5 . . ?
H25B C251 H25D 109.5 . . ?
H25C C251 H25D 109.5 . . ?
O52 C252 O51 123.4(15) . . ?
O52 C252 C251 118.4(15) . . ?
O51 C252 C251 118.1(14) . . ?
O52 C252 Cd7 61.7(9) . . ?
O51 C252 Cd7 61.7(8) . . ?
C251 C252 Cd7 176.9(13) . . ?
C254 C253 H25E 109.5 . . ?
C254 C253 H25F 109.5 . . ?
H25E C253 H25F 109.5 . . ?
C254 C253 H25G 109.5 . . ?
H25E C253 H25G 109.5 . . ?
H25F C253 H25G 109.5 . . ?
O53 C254 O54 117.8(12) . . ?
O53 C254 C253 124.0(14) . . ?
O54 C254 C253 118.2(13) . . ?
C256 C255 H25H 109.5 . . ?
C256 C255 H25I 109.5 . . ?
H25H C255 H25I 109.5 . . ?
C256 C255 H25J 109.5 . . ?
H25H C255 H25J 109.5 . . ?
H25I C255 H25J 109.5 . . ?
O58 C256 O57 130.1(12) . . ?
O58 C256 C255 117.6(10) . . ?
O57 C256 C255 112.3(11) . . ?
C258 C257 H25K 109.5 . . ?
C258 C257 H25L 109.5 . . ?
H25K C257 H25L 109.5 . . ?
C258 C257 H25M 109.5 . . ?
H25K C257 H25M 109.5 . . ?
H25L C257 H25M 109.5 . . ?
O59 C258 O60 121.0(15) . . ?
O59 C258 C257 118.8(14) . . ?
O60 C258 C257 120.1(14) . . ?
C260 C259 H25N 109.5 . . ?
C260 C259 H25O 109.5 . . ?
H25N C259 H25O 109.5 . . ?
C260 C259 H25P 109.5 . . ?
H25N C259 H25P 109.5 . . ?
H25O C259 H25P 109.5 . . ?
O62 C260 O61 117.4(10) . . ?
O62 C260 C259 118.6(12) . . ?
O61 C260 C259 124.0(11) . . ?
C262 C261 H26B 109.5 . . ?
C262 C261 H26C 109.5 . . ?
H26B C261 H26C 109.5 . . ?
C262 C261 H26D 109.5 . . ?
H26B C261 H26D 109.5 . . ?
H26C C261 H26D 109.5 . . ?
O63 C262 O64 127(2) . . ?
O63 C262 C261 119(2) . . ?
O64 C262 C261 113(2) . . ?
O63 C262 Cd11 59.6(12) . . ?
O64 C262 Cd11 68.9(12) . . ?
C261 C262 Cd11 174(2) . . ?
C264 C263 H26E 109.5 . . ?
C264 C263 H26F 109.5 . . ?
H26E C263 H26F 109.5 . . ?
C264 C263 H26G 109.5 . . ?
H26E C263 H26G 109.5 . . ?
H26F C263 H26G 109.5 . . ?
O66 C264 O65 114.6(17) . . ?
O66 C264 C263 122.8(18) . . ?
O65 C264 C263 122.2(16) . . ?
O66 C264 Cd11 54.5(9) . . ?
O65 C264 Cd11 60.6(9) . . ?
C263 C264 Cd11 167.7(12) . . ?
C266 C265 H26H 109.5 . . ?
C266 C265 H26I 109.5 . . ?
H26H C265 H26I 109.5 . . ?
C266 C265 H26J 109.5 . . ?
H26H C265 H26J 109.5 . . ?
H26I C265 H26J 109.5 . . ?
O70 C266 O69 125.1(13) . . ?
O70 C266 C265 118.3(15) . . ?
O69 C266 C265 116.6(13) . . ?
C268 C267 H26K 109.5 . . ?
C268 C267 H26L 109.5 . . ?
H26K C267 H26L 109.5 . . ?
C268 C267 H26M 109.5 . . ?
H26K C267 H26M 109.5 . . ?
H26L C267 H26M 109.5 . . ?
O68 C268 O67 121.0(13) . . ?
O68 C268 C267 121.2(13) . . ?
O67 C268 C267 117.8(14) . . ?
C270 C269 H26N 109.5 . . ?
C270 C269 H26O 109.5 . . ?
H26N C269 H26O 109.5 . . ?
C270 C269 H26P 109.5 . . ?
H26N C269 H26P 109.5 . . ?
H26O C269 H26P 109.5 . . ?
O74 C270 O73 125.7(18) . . ?
O74 C270 C269 118.3(15) . . ?
O73 C270 C269 116.0(15) . . ?
C272 C271 H27B 109.5 . . ?
C272 C271 H27C 109.5 . . ?
H27B C271 H27C 109.5 . . ?
C272 C271 H27D 109.5 . . ?
H27B C271 H27D 109.5 . . ?
H27C C271 H27D 109.5 . . ?
O72 C272 O71 123.0(12) . . ?
O72 C272 C271 122.8(12) . . ?
O71 C272 C271 113.6(13) . . ?
C274 C273 H27E 109.5 . . ?
C274 C273 H27F 109.5 . . ?
H27E C273 H27F 109.5 . . ?
C274 C273 H27G 109.5 . . ?
H27E C273 H27G 109.5 . . ?
H27F C273 H27G 109.5 . . ?
O76 C274 O75 119.4(15) . . ?
O76 C274 C273 121.6(15) . . ?
O75 C274 C273 115.8(16) . . ?
O76 C274 Cd2 62.1(9) . . ?
O75 C274 Cd2 59.2(8) . . ?
C273 C274 Cd2 173.8(14) . . ?
C276 C275 H27H 109.5 . . ?
C276 C275 H27I 109.5 . . ?
H27H C275 H27I 109.5 . . ?
C276 C275 H27J 109.5 . . ?
H27H C275 H27J 109.5 . . ?
H27I C275 H27J 109.5 . . ?
O80 C276 O79 127.4(17) . . ?
O80 C276 C275 119.6(14) . . ?
O79 C276 C275 112.6(14) . . ?
C278 C277 H27K 109.5 . . ?
C278 C277 H27L 109.5 . . ?
H27K C277 H27L 109.5 . . ?
C278 C277 H27M 109.5 . . ?
H27K C277 H27M 109.5 . . ?
H27L C277 H27M 109.5 . . ?
O77 C278 O78 128.4(17) . . ?
O77 C278 C277 120.9(13) . . ?
O78 C278 C277 110.6(15) . . ?
C280 C279 H27N 109.5 . . ?
C280 C279 H27O 109.5 . . ?
H27N C279 H27O 109.5 . . ?
C280 C279 H27P 109.5 . . ?
H27N C279 H27P 109.5 . . ?
H27O C279 H27P 109.5 . . ?
O81 C280 O82 107.8(18) . . ?
O81 C280 C279 125(2) . . ?
O82 C280 C279 127(2) . . ?
C282 C281 H28A 109.5 . . ?
C282 C281 H28B 109.5 . . ?
H28A C281 H28B 109.5 . . ?
C282 C281 H28C 109.5 . . ?
H28A C281 H28C 109.5 . . ?
H28B C281 H28C 109.5 . . ?
O84 C282 O83 119.2(14) . . ?
O84 C282 C281 120.2(15) . . ?
O83 C282 C281 120.3(14) . . ?
C284 C283 H28D 109.5 . . ?
C284 C283 H28E 109.5 . . ?
H28D C283 H28E 109.5 . . ?
C284 C283 H28F 109.5 . . ?
H28D C283 H28F 109.5 . . ?
H28E C283 H28F 109.5 . . ?
O85 C284 O86 119.0(12) . . ?
O85 C284 C283 126.5(13) . . ?
O86 C284 C283 113.5(13) . . ?
C286 C285 H28G 109.5 . . ?
C286 C285 H28H 109.5 . . ?
H28G C285 H28H 109.5 . . ?
C286 C285 H28I 109.5 . . ?
H28G C285 H28I 109.5 . . ?
H28H C285 H28I 109.5 . . ?
O88 C286 O87 124.8(19) . . ?
O88 C286 C285 113(2) . . ?
O87 C286 C285 122.0(18) . . ?
O88 C286 Cd17 68.2(11) . . ?
O87 C286 Cd17 56.6(10) . . ?
C285 C286 Cd17 178.3(16) . . ?
C288 C287 H28J 109.5 . . ?
C288 C287 H28K 109.5 . . ?
H28J C287 H28K 109.5 . . ?
C288 C287 H28L 109.5 . . ?
H28J C287 H28L 109.5 . . ?
H28K C287 H28L 109.5 . . ?
O91 C288 O92 122.4(12) . . ?
O91 C288 C287 115.0(13) . . ?
O92 C288 C287 122.5(12) . . ?
C290 C289 H28M 109.5 . . ?
C290 C289 H28N 109.5 . . ?
H28M C289 H28N 109.5 . . ?
C290 C289 H28O 109.5 . . ?
H28M C289 H28O 109.5 . . ?
H28N C289 H28O 109.5 . . ?
O90 C290 O89 120.8(13) . . ?
O90 C290 C289 122.0(14) . . ?
O89 C290 C289 116.9(13) . . ?
O94 C292 O93 119.3(15) . . ?
O94 C292 C291 121.1(14) . . ?
O93 C292 C291 119.2(14) . . ?
O94 C292 Cd14 56.0(8) . . ?
O93 C292 Cd14 63.5(8) . . ?
C291 C292 Cd14 176.8(12) . . ?
C294 C293 H29A 109.5 . . ?
C294 C293 H29B 109.5 . . ?
H29A C293 H29B 109.5 . . ?
C294 C293 H29C 109.5 . . ?
H29A C293 H29C 109.5 . . ?
H29B C293 H29C 109.5 . . ?
O96 C294 O95 117.6(13) . . ?
O96 C294 C293 121.9(15) . . ?
O95 C294 C293 120.4(13) . . ?
C296 C295 H29D 109.5 . . ?
C296 C295 H29E 109.5 . . ?
H29D C295 H29E 109.5 . . ?
C296 C295 H29F 109.5 . . ?
H29D C295 H29F 109.5 . . ?
H29E C295 H29F 109.5 . . ?
O128 C296 O127 134(2) . . ?
O128 C296 C295 116.2(19) . . ?
O127 C296 C295 109(2) . . ?
O128 C296 Cd14 65.1(11) . . ?
O127 C296 Cd14 69.3(12) . . ?
C295 C296 Cd14 175.4(15) . . ?
C298 C297 H29G 109.5 . . ?
C298 C297 H29H 109.5 . . ?
H29G C297 H29H 109.5 . . ?
C298 C297 H29I 109.5 . . ?
H29G C297 H29I 109.5 . . ?
H29H C297 H29I 109.5 . . ?
O97 C298 O98 121.8(15) . . ?
O97 C298 C297 120.0(15) . . ?
O98 C298 C297 118.1(15) . . ?
C300 C299 H29J 109.5 . . ?
C300 C299 H29K 109.5 . . ?
H29J C299 H29K 109.5 . . ?
C300 C299 H29L 109.5 . . ?
H29J C299 H29L 109.5 . . ?
H29K C299 H29L 109.5 . . ?
O100 C300 O99 124.4(16) . . ?
O100 C300 C299 118.8(16) . . ?
O99 C300 C299 116.7(13) . . ?
C302 C301 H30B 109.5 . . ?
C302 C301 H30C 109.5 . . ?
H30B C301 H30C 109.5 . . ?
C302 C301 H30D 109.5 . . ?
H30B C301 H30D 109.5 . . ?
H30C C301 H30D 109.5 . . ?
O101 C302 O102 118.0(14) . . ?
O101 C302 C301 123.4(14) . . ?
O102 C302 C301 118.5(14) . . ?
C304 C303 H30E 109.5 . . ?
C304 C303 H30F 109.5 . . ?
H30E C303 H30F 109.5 . . ?
C304 C303 H30G 109.5 . . ?
H30E C303 H30G 109.5 . . ?
H30F C303 H30G 109.5 . . ?
O103 C304 O104 117(2) . . ?
O103 C304 C303 126(2) . . ?
O104 C304 C303 116(2) . . ?
O103 C304 Cd23 60.8(12) . . ?
O104 C304 Cd23 56.5(13) . . ?
C303 C304 Cd23 172.7(19) . . ?
C306 C305 H30H 109.5 . . ?
C306 C305 H30I 109.5 . . ?
H30H C305 H30I 109.5 . . ?
C306 C305 H30J 109.5 . . ?
H30H C305 H30J 109.5 . . ?
H30I C305 H30J 109.5 . . ?
O105 C306 O106 122(3) . . ?
O105 C306 C305 112(2) . . ?
O106 C306 C305 126(2) . . ?
O105 C306 Cd23 65.3(15) . . ?
O106 C306 Cd23 57.2(15) . . ?
C305 C306 Cd23 171.2(13) . . ?
C308 C307 H30K 109.5 . . ?
C308 C307 H30L 109.5 . . ?
H30K C307 H30L 109.5 . . ?
C308 C307 H30M 109.5 . . ?
H30K C307 H30M 109.5 . . ?
H30L C307 H30M 109.5 . . ?
O110 C308 O109 120.7(14) . . ?
O110 C308 C307 119.0(16) . . ?
O109 C308 C307 119.9(17) . . ?
C310 C309 H30N 109.5 . . ?
C310 C309 H30O 109.5 . . ?
H30N C309 H30O 109.5 . . ?
C310 C309 H30P 109.5 . . ?
H30N C309 H30P 109.5 . . ?
H30O C309 H30P 109.5 . . ?
O107 C310 O108 121.3(15) . . ?
O107 C310 C309 122.3(14) . . ?
O108 C310 C309 116.4(13) . . ?
C312 C311 H31C 109.5 . . ?
C312 C311 H31D 109.5 . . ?
H31C C311 H31D 109.5 . . ?
C312 C311 H31E 109.5 . . ?
H31C C311 H31E 109.5 . . ?
H31D C311 H31E 109.5 . . ?
O112 C312 O111 117.4(16) . . ?
O112 C312 C311 122.5(17) . . ?
O111 C312 C311 120.0(18) . . ?
C314 C313 H31F 109.5 . . ?
C314 C313 H31G 109.5 . . ?
H31F C313 H31G 109.5 . . ?
C314 C313 H31H 109.5 . . ?
H31F C313 H31H 109.5 . . ?
H31G C313 H31H 109.5 . . ?
O116 C314 O115 127.1(14) . . ?
O116 C314 C313 117.6(13) . . ?
O115 C314 C313 115.3(14) . . ?
C316 C315 H31I 109.5 . . ?
C316 C315 H31J 109.5 . . ?
H31I C315 H31J 109.5 . . ?
C316 C315 H31K 109.5 . . ?
H31I C315 H31K 109.5 . . ?
H31J C315 H31K 109.5 . . ?
O113 C316 O114 123.0(19) . . ?
O113 C316 C315 122(2) . . ?
O114 C316 C315 115(2) . . ?
O113 C316 Cd20 65.6(11) . . ?
O114 C316 Cd20 57.9(11) . . ?
C315 C316 Cd20 172.4(17) . . ?
C318 C317 H31L 109.5 . . ?
C318 C317 H31M 109.5 . . ?
H31L C317 H31M 109.5 . . ?
C318 C317 H31N 109.5 . . ?
H31L C317 H31N 109.5 . . ?
H31M C317 H31N 109.5 . . ?
O120 C318 O119 121(2) . . ?
O120 C318 C317 123(3) . . ?
O119 C318 C317 115(2) . . ?
O120 C318 Cd20 60.6(14) . . ?
O119 C318 Cd20 62.0(12) . . ?
C317 C318 Cd20 174.3(17) . . ?
C320 C319 H31O 109.5 . . ?
C320 C319 H31P 109.5 . . ?
H31O C319 H31P 109.5 . . ?
C320 C319 H31Q 109.5 . . ?
H31O C319 H31Q 109.5 . . ?
H31P C319 H31Q 109.5 . . ?
O122 C320 O121 128.6(18) . . ?
O122 C320 C319 117.2(16) . . ?
O121 C320 C319 114.1(16) . . ?
C322 C321 H32B 109.5 . . ?
C322 C321 H32C 109.5 . . ?
H32B C321 H32C 109.5 . . ?
C322 C321 H32D 109.5 . . ?
H32B C321 H32D 109.5 . . ?
H32C C321 H32D 109.5 . . ?
O117 C322 O118 121.7(13) . . ?
O117 C322 C321 122.9(15) . . ?
O118 C322 C321 115.2(14) . . ?
C324 C323 H32E 109.5 . . ?
C324 C323 H32F 109.5 . . ?
H32E C323 H32F 109.5 . . ?
C324 C323 H32G 109.5 . . ?
H32E C323 H32G 109.5 . . ?
H32F C323 H32G 109.5 . . ?
O124 C324 O123 129.7(15) . . ?
O124 C324 C323 113.3(13) . . ?
O123 C324 C323 116.9(14) . . ?
C326 C325 H32H 109.5 . . ?
C326 C325 H32I 109.5 . . ?
H32H C325 H32I 109.5 . . ?
C326 C325 H32J 109.5 . . ?
H32H C325 H32J 109.5 . . ?
H32I C325 H32J 109.5 . . ?
O125 C326 O126 128.3(13) . . ?
O125 C326 C325 116.5(13) . . ?
O126 C326 C325 115.1(13) . . ?
C328 C327 H32K 109.5 . . ?
C328 C327 H32L 109.5 . . ?
H32K C327 H32L 109.5 . . ?
C328 C327 H32M 109.5 . . ?
H32K C327 H32M 109.5 . . ?
H32L C327 H32M 109.5 . . ?
O129 C328 O130 130(2) . . ?
O129 C328 C327 107(2) . . ?
O130 C328 C327 111(2) . . ?
C244 O45 Cd5 98.9(16) . . ?
C244 O46 Cd6 128.2(17) . . ?
C244 O46 Cd5 89.0(15) . . ?
Cd6 O46 Cd5 141.4(5) . . ?
C246 O47 Cd6 131.3(9) . . ?
C246 O48 Cd8 128.3(8) . . ?
C246 O48 Cd7 127.3(9) . . ?
Cd8 O48 Cd7 98.2(4) . . ?
C250 O49 Cd8 84.7(14) . . ?
C250 O50 Cd8 97.7(14) . . ?
C252 O51 Cd9 132.4(10) . . ?
C252 O51 Cd7 90.5(9) . . ?
Cd9 O51 Cd7 134.4(4) . . ?
C252 O52 Cd7 92.1(10) . . ?
C252 O52 Cd6 141.1(12) . . ?
Cd7 O52 Cd6 87.1(4) . . ?
C254 O53 Cd9 132.3(9) . . ?
C254 O53 Cd8 86.4(8) . . ?
Cd9 O53 Cd8 140.0(4) . . ?
C254 O54 Cd8 100.6(8) . . ?
C248 O55 Yb3 167.0(9) . . ?
C248 O56 Cd9 108.1(9) . . ?
C256 O57 Yb3 138.5(9) . . ?
C256 O58 Cd9 131.7(8) . . ?
C258 O59 Yb3 149.0(10) . . ?
C258 O60 Cd10 120.0(9) . . ?
C258 O60 Cd11 133.9(10) . . ?
Cd10 O60 Cd11 104.2(4) . . ?
C260 O61 Cd12 130.6(7) . . ?
C260 O62 Cd10 107.9(8) . . ?
C260 O62 Yb3 136.8(9) . . ?
Cd10 O62 Yb3 101.4(3) . . ?
C262 O63 Cd11 93.9(14) . . ?
C262 O64 Cd11 83.4(13) . . ?
C264 O65 Cd11 90.9(9) . . ?
C264 O65 Cd12 134.2(10) . . ?
Cd11 O65 Cd12 134.5(5) . . ?
C264 O66 Cd11 97.7(11) . . ?
C268 O67 Yb1 156.1(9) . . ?
C268 O68 Cd12 106.3(8) . . ?
C266 O69 Yb1 144.1(9) . . ?
C266 O70 Cd12 129.4(10) . . ?
C272 O71 Cd2 133.7(9) . . ?
C272 O71 Cd1 123.7(9) . . ?
Cd2 O71 Cd1 102.2(4) . . ?
C272 O72 Yb1 147.9(8) . . ?
C270 O73 Cd1 102.8(11) . . ?
C270 O73 Yb1 144.4(10) . . ?
Cd1 O73 Yb1 100.7(4) . . ?
C270 O74 Cd3 137.4(12) . . ?
C274 O75 Cd2 91.7(10) . . ?
C274 O76 Cd3 134.6(11) . . ?
C274 O76 Cd2 91.7(10) . . ?
Cd3 O76 Cd2 133.1(5) . . ?
C278 O77 Cd3 110.4(10) . . ?
C278 O78 Yb2 163.3(13) . . ?
C276 O79 Cd3 127.4(10) . . ?
C276 O80 Yb2 144.5(10) . . ?
C280 O81 Cd4 131.2(14) . . ?
C280 O81 Cd5 139.8(14) . . ?
Cd4 O81 Cd5 89.0(6) . . ?
C280 O82 Yb2 148.6(14) . . ?
C282 O83 Cd4 101.6(9) . . ?
C282 O83 Yb2 147.7(10) . . ?
Cd4 O83 Yb2 102.5(4) . . ?
C282 O84 Cd6 139.4(9) . . ?
C284 O85 Cd18 133.5(9) . . ?
C284 O85 Cd17 88.5(8) . . ?
Cd18 O85 Cd17 137.6(5) . . ?
C284 O86 Cd17 97.7(8) . . ?
C286 O87 Cd17 95.7(12) . . ?
C286 O88 Cd17 85.2(13) . . ?
C290 O89 Cd16 91.3(8) . . ?
C290 O89 Cd18 132.6(8) . . ?
Cd16 O89 Cd18 135.0(4) . . ?
C290 O90 Cd16 93.2(9) . . ?
C288 O91 Cd15 128.2(9) . . ?
C288 O92 Cd17 127.6(8) . . ?
C288 O92 Cd16 128.2(8) . . ?
Cd17 O92 Cd16 98.7(4) . . ?
C292 O93 Cd15 137.1(10) . . ?
C292 O93 Cd14 87.9(9) . . ?
Cd15 O93 Cd14 135.0(4) . . ?
C292 O94 Cd14 97.2(9) . . ?
C294 O95 Cd13 102.7(8) . . ?
C294 O95 Yb4 137.7(9) . . ?
Cd13 O95 Yb4 102.9(4) . . ?
C294 O96 Cd15 136.6(10) . . ?
C298 O97 Yb4 150.9(11) . . ?
C298 O98 Cd13 121.8(10) . . ?
C298 O98 Cd14 136.8(10) . . ?
Cd13 O98 Cd14 100.5(4) . . ?
C300 O99 Yb4 165.9(10) . . ?
C300 O100 Cd24 116.4(11) . . ?
C302 O101 Cd24 133.8(9) . . ?
C302 O102 Yb4 149.9(10) . . ?
C304 O103 Cd24 129.8(14) . . ?
C304 O103 Cd23 93.4(14) . . ?
Cd24 O103 Cd23 135.5(5) . . ?
C304 O104 Cd23 96.4(17) . . ?
C306 O105 Cd23 87.4(16) . . ?
C306 O106 Cd23 94.4(17) . . ?
C310 O107 Cd22 106.3(10) . . ?
C310 O107 Yb6 147.4(10) . . ?
Cd22 O107 Yb6 100.4(4) . . ?
C310 O108 Cd24 134.0(10) . . ?
C308 O109 Cd22 126.0(11) . . ?
C308 O109 Cd23 132.7(10) . . ?
Cd22 O109 Cd23 101.2(4) . . ?
C308 O110 Yb6 146.3(11) . . ?
C312 O111 Yb6 163.5(12) . . ?
C312 O112 Cd21 104.1(10) . . ?
C316 O113 Cd21 139.8(13) . . ?
C316 O113 Cd20 87.2(11) . . ?
Cd21 O113 Cd20 132.9(6) . . ?
C316 O114 Cd20 94.7(13) . . ?
C314 O115 Cd21 128.1(10) . . ?
C314 O116 Yb6 143.2(10) . . ?
C322 O117 Cd21 131.1(10) . . ?
C322 O118 Cd19 102.5(9) . . ?
C322 O118 Yb5 141.3(9) . . ?
Cd19 O118 Yb5 101.9(3) . . ?
C318 O119 Cd20 89.8(15) . . ?
C318 O120 Cd20 94.1(17) . . ?
C320 O121 Cd19 120.1(11) . . ?
C320 O121 Cd20 136.8(11) . . ?
Cd19 O121 Cd20 102.2(4) . . ?
C320 O122 Yb5 145.6(12) . . ?
C324 O123 Yb5 165.2(9) . . ?
C324 O124 Cd18 107.4(9) . . ?
C326 O125 Yb5 140.3(9) . . ?
C326 O126 Cd18 130.8(9) . . ?
C296 O127 Cd14 82.7(13) . . ?
C296 O128 Cd14 88.9(12) . . ?
C328 O129 Cd2 111.2(16) . . ?

_diffrn_measured_fraction_theta_max 0.966
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.966
_refine_diff_density_max         2.593
_refine_diff_density_min         -3.635
_refine_diff_density_rms         0.226
_database_code_depnum_ccdc_archive 'CCDC 1023237'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_complex-1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C84 H112 Br4 Nd4 N4 O52 Zn8), 4(C4 H10 O), C2 H7 O, 2(C2 H6 O), C4 H16 O6'
_chemical_formula_sum            'C194 H299 Br8 N8 Nd8 O117 Zn16'
_chemical_formula_weight         7454.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  -C2yc

loop_
_symmetry_equiv_pos_as_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                   27.503(6)
_cell_length_b                   16.362(3)
_cell_length_c                   33.940(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.17(3)
_cell_angle_gamma                90.00
_cell_volume                     15270(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    11551
_cell_measurement_theta_min      1.5618
_cell_measurement_theta_max      25.1048

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7390
_exptl_absorpt_coefficient_mu    3.690
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.632781
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(1)
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            42384
_diffrn_reflns_av_R_equivalents  0.0806
_diffrn_reflns_av_sigmaI/netI    0.0941
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         25.00
_reflns_number_total             13167
_reflns_number_gt                10026
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij 
 components approximate to isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1553P)²+109.5610P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13167
_refine_ls_number_parameters     816
_refine_ls_number_restraints     552
_refine_ls_R_factor_all          0.1019
_refine_ls_R_factor_gt           0.0762
_refine_ls_wR_factor_ref         0.2653
_refine_ls_wR_factor_gt          0.2172
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.005
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.18302(2) 0.54482(3) 0.073053(15) 0.03482(19) Uani 1 1 d U . .
Nd2 Nd 0.27919(2) 0.52664(3) 0.170030(15) 0.03443(19) Uani 1 1 d U . .
Zn1 Zn 0.05059(5) 0.52940(10) 0.08320(4) 0.0563(4) Uani 1 1 d U . .
Zn2 Zn 0.27590(5) 0.37754(9) 0.08826(4) 0.0509(4) Uani 1 1 d U . .
Zn3 Zn 0.24991(5) 0.72164(8) 0.11357(4) 0.0425(3) Uani 1 1 d U . .
Zn4 Zn 0.23002(5) 0.52923(8) 0.26923(3) 0.0410(3) Uani 1 1 d U . .
N1 N -0.0070(4) 0.5650(8) 0.0522(4) 0.070(3) Uani 1 1 d DU . .
N2 N 0.2505(3) 0.4795(5) 0.3213(2) 0.040(2) Uani 1 1 d U . .
Br1 Br 0.06121(7) 0.75030(13) -0.10632(5) 0.0942(6) Uani 1 1 d U . .
Br2 Br 0.47495(5) 0.36031(10) 0.31381(5) 0.0717(4) Uani 1 1 d U . .
O1 O 0.1700(3) 0.5883(4) -0.0028(2) 0.0393(16) Uani 1 1 d U . .
O2 O 0.0984(3) 0.5598(5) 0.0435(2) 0.0452(18) Uani 1 1 d U . .
O3 O 0.3704(3) 0.5128(5) 0.2035(2) 0.0436(18) Uani 1 1 d U . .
O4 O 0.2922(3) 0.5063(4) 0.24340(19) 0.0383(16) Uani 1 1 d U . .
O5 O 0.2331(2) 0.4523(4) 0.11594(19) 0.0379(16) Uani 1 1 d U . .
H5B H 0.2098 0.4174 0.1294 0.045 Uiso 1 1 calc R . .
O6 O 0.2265(3) 0.6131(4) 0.12902(19) 0.0387(16) Uani 1 1 d U . .
H6A H 0.2000 0.6263 0.1468 0.046 Uiso 1 1 calc R . .
O7 O 0.2038(3) 0.4618(5) 0.1927(2) 0.050(2) Uani 1 1 d U . .
O8 O 0.1704(3) 0.4751(5) 0.2514(2) 0.052(2) Uani 1 1 d U . .
O9 O 0.0512(4) 0.5893(8) 0.1335(3) 0.081(3) Uani 1 1 d U . .
O10 O 0.1300(3) 0.5835(5) 0.1295(2) 0.051(2) Uani 1 1 d U . .
O11 O 0.2874(3) 0.7185(5) 0.0653(2) 0.052(2) Uani 1 1 d U . .
O12 O 0.2600(3) 0.5962(4) 0.0478(2) 0.0402(16) Uani 1 1 d U . .
O13 O 0.3286(3) 0.4374(6) 0.0609(3) 0.061(2) Uani 1 1 d U . .
O14 O 0.3347(3) 0.5098(5) 0.1161(2) 0.054(2) Uani 1 1 d U . .
O15 O 0.2376(4) 0.3155(6) 0.0489(3) 0.068(3) Uani 1 1 d U . .
O16 O 0.2086(3) 0.4351(4) 0.0296(2) 0.052(2) Uani 1 1 d U . .
O17 O 0.1903(3) 0.7898(5) 0.1077(2) 0.053(2) Uani 1 1 d U . .
O18 O 0.1679(3) 0.6928(5) 0.0666(2) 0.0466(18) Uani 1 1 d U . .
O19 O 0.3235(3) 0.6563(5) 0.1672(3) 0.056(2) Uani 1 1 d U . .
O20 O 0.2933(3) 0.7771(5) 0.1519(2) 0.052(2) Uani 1 1 d U . .
O21 O 0.3137(3) 0.3045(5) 0.1228(3) 0.053(2) Uani 1 1 d U . .
O22 O 0.3064(3) 0.3836(5) 0.1753(2) 0.0482(19) Uani 1 1 d U . .
O23 O 0.2336(3) 0.6356(5) 0.2092(2) 0.057(2) Uani 1 1 d U . .
O24 O 0.2176(3) 0.6470(5) 0.2727(2) 0.052(2) Uani 1 1 d U . .
O25 O 0.1347(3) 0.4207(5) 0.0899(2) 0.055(2) Uani 1 1 d U . .
O26 O 0.0547(3) 0.4111(6) 0.0889(3) 0.074(3) Uani 1 1 d U . .
C1 C 0.2077(5) 0.5864(8) -0.0314(3) 0.053(3) Uani 1 1 d U . .
H1A H 0.1950 0.5642 -0.0557 0.080 Uiso 1 1 calc R . .
H1B H 0.2340 0.5527 -0.0218 0.080 Uiso 1 1 calc R . .
H1C H 0.2194 0.6408 -0.0358 0.080 Uiso 1 1 calc R . .
C2 C 0.1255(4) 0.6209(7) -0.0153(3) 0.041(2) Uani 1 1 d U . .
C3 C 0.1182(4) 0.6645(7) -0.0494(3) 0.047(3) Uani 1 1 d U . .
H3A H 0.1439 0.6770 -0.0657 0.057 Uiso 1 1 calc R . .
C4 C 0.0713(5) 0.6890(8) -0.0585(4) 0.054(3) Uani 1 1 d U . .
C5 C 0.0333(5) 0.6717(9) -0.0354(4) 0.061(3) Uani 1 1 d U . .
H5A H 0.0023 0.6900 -0.0425 0.074 Uiso 1 1 calc R . .
C6 C 0.0401(4) 0.6260(7) -0.0004(3) 0.049(3) Uani 1 1 d U . .
C7 C 0.0880(4) 0.6006(7) 0.0110(3) 0.044(3) Uani 1 1 d U . .
C8 C -0.0041(5) 0.6056(9) 0.0204(4) 0.066(4) Uani 1 1 d U . .
H8A H -0.0333 0.6242 0.0092 0.079 Uiso 1 1 calc R . .
C9 C -0.0589(6) 0.5452(10) 0.0671(4) 0.076(4) Uani 1 1 d DU . .
H9A H -0.0617 0.4869 0.0714 0.092 Uiso 1 1 calc R . .
H9B H -0.0828 0.5607 0.0471 0.092 Uiso 1 1 calc R . .
C10 C -0.0697(9) 0.591(2) 0.1062(7) 0.203(14) Uani 1 1 d DU . .
H10E H -0.0822 0.6459 0.1008 0.304 Uiso 1 1 calc R . .
H10F H -0.0407 0.5958 0.1227 0.304 Uiso 1 1 calc R . .
C11 C 0.4150(5) 0.5294(8) 0.1835(4) 0.059(3) Uani 1 1 d U . .
H11A H 0.4362 0.5610 0.2004 0.088 Uiso 1 1 calc R . .
H11B H 0.4080 0.5594 0.1598 0.088 Uiso 1 1 calc R . .
H11E H 0.4306 0.4787 0.1771 0.088 Uiso 1 1 calc R . .
C12 C 0.3748(4) 0.4753(6) 0.2396(3) 0.035(2) Uani 1 1 d U . .
C13 C 0.4170(4) 0.4408(7) 0.2544(3) 0.046(3) Uani 1 1 d U . .
H13A H 0.4450 0.4388 0.2395 0.055 Uiso 1 1 calc R . .
C14 C 0.4159(4) 0.4084(7) 0.2933(4) 0.050(3) Uani 1 1 d U . .
C15 C 0.3755(4) 0.4092(6) 0.3151(3) 0.043(2) Uani 1 1 d U . .
H15A H 0.3757 0.3856 0.3400 0.051 Uiso 1 1 calc R . .
C16 C 0.3335(4) 0.4452(7) 0.3000(3) 0.040(2) Uani 1 1 d U . .
C17 C 0.3312(4) 0.4763(6) 0.2610(3) 0.033(2) Uani 1 1 d U . .
C18 C 0.2916(4) 0.4469(7) 0.3274(3) 0.042(3) Uani 1 1 d U . .
H18A H 0.2963 0.4212 0.3517 0.051 Uiso 1 1 calc R . .
C19 C 0.2142(5) 0.4773(8) 0.3531(4) 0.058(3) Uani 1 1 d U . .
H19A H 0.2283 0.4514 0.3763 0.070 Uiso 1 1 calc R . .
H19B H 0.1861 0.4455 0.3445 0.070 Uiso 1 1 calc R . .
C20 C 0.1980(5) 0.5660(9) 0.3632(4) 0.066(4) Uani 1 1 d U . .
H20A H 0.2258 0.5944 0.3747 0.079 Uiso 1 1 calc R . .
H20B H 0.1894 0.5936 0.3388 0.079 Uiso 1 1 calc R . .
C21 C 0.1565(5) 0.5747(9) 0.3906(4) 0.072(4) Uani 1 1 d DU . .
H21A H 0.1496 0.6321 0.3948 0.086 Uiso 1 1 calc R . .
H21B H 0.1649 0.5501 0.4159 0.086 Uiso 1 1 calc R . .
C22 C 0.1121(6) 0.5323(12) 0.3725(6) 0.104(6) Uani 1 1 d DU . .
H22B H 0.1098 0.4755 0.3804 0.156 Uiso 1 1 calc R . .
H22C H 0.1110 0.5363 0.3440 0.156 Uiso 1 1 calc R . .
C23 C 0.1229(4) 0.4160(8) 0.2011(4) 0.054(3) Uani 1 1 d U . .
H23A H 0.1256 0.4024 0.1737 0.081 Uiso 1 1 calc R . .
H23B H 0.0964 0.4534 0.2043 0.081 Uiso 1 1 calc R . .
H23C H 0.1170 0.3672 0.2160 0.081 Uiso 1 1 calc R . .
C24 C 0.1686(4) 0.4544(7) 0.2155(3) 0.043(3) Uani 1 1 d U . .
C25 C 0.1009(7) 0.2860(10) 0.0916(5) 0.086(5) Uani 1 1 d U . .
H25A H 0.1347 0.2716 0.0919 0.129 Uiso 1 1 calc R . .
H25B H 0.0851 0.2627 0.0688 0.129 Uiso 1 1 calc R . .
H25C H 0.0861 0.2654 0.1150 0.129 Uiso 1 1 calc R . .
C26 C 0.0957(5) 0.3813(8) 0.0903(4) 0.053(3) Uani 1 1 d U . .
C27 C 0.0988(6) 0.6477(11) 0.1858(5) 0.088(5) Uani 1 1 d U . .
H27A H 0.1325 0.6550 0.1926 0.131 Uiso 1 1 calc R . .
H27B H 0.0832 0.6170 0.2061 0.131 Uiso 1 1 calc R . .
H27C H 0.0834 0.7001 0.1831 0.131 Uiso 1 1 calc R . .
C28 C 0.0943(5) 0.6015(8) 0.1469(3) 0.053(3) Uani 1 1 d U . .
C29 C 0.1763(6) 0.3132(9) -0.0023(4) 0.069(4) Uani 1 1 d U . .
H29A H 0.1823 0.2556 0.0001 0.104 Uiso 1 1 calc R . .
H29B H 0.1830 0.3306 -0.0287 0.104 Uiso 1 1 calc R . .
H29C H 0.1428 0.3243 0.0033 0.104 Uiso 1 1 calc R . .
C30 C 0.2098(5) 0.3605(9) 0.0274(4) 0.063(3) Uani 1 1 d U . .
C31 C 0.3549(6) 0.7715(10) 0.2011(5) 0.078(4) Uani 1 1 d U . .
H31A H 0.3745 0.7297 0.2134 0.117 Uiso 1 1 calc R . .
H31B H 0.3361 0.7987 0.2207 0.117 Uiso 1 1 calc R . .
H31C H 0.3755 0.8104 0.1885 0.117 Uiso 1 1 calc R . .
C32 C 0.3211(5) 0.7332(8) 0.1709(4) 0.056(3) Uani 1 1 d U . .
C33 C 0.3930(6) 0.5316(10) 0.0672(4) 0.077(4) Uani 1 1 d U . .
H33A H 0.4047 0.5712 0.0860 0.116 Uiso 1 1 calc R . .
H33B H 0.3847 0.5585 0.0429 0.116 Uiso 1 1 calc R . .
H33C H 0.4180 0.4918 0.0627 0.116 Uiso 1 1 calc R . .
C34 C 0.3492(5) 0.4901(8) 0.0828(4) 0.055(3) Uani 1 1 d U . .
C35 C 0.2165(6) 0.7694(8) 0.2333(4) 0.068(4) Uani 1 1 d U . .
H35A H 0.2090 0.7939 0.2582 0.102 Uiso 1 1 calc R . .
H35B H 0.1902 0.7788 0.2149 0.102 Uiso 1 1 calc R . .
H35C H 0.2457 0.7933 0.2235 0.102 Uiso 1 1 calc R . .
C36 C 0.2238(4) 0.6788(8) 0.2388(3) 0.050(3) Uani 1 1 d U . .
C37 C 0.3617(5) 0.2735(8) 0.1796(4) 0.062(3) Uani 1 1 d U . .
H37A H 0.3670 0.2958 0.2055 0.093 Uiso 1 1 calc R . .
H37B H 0.3917 0.2739 0.1656 0.093 Uiso 1 1 calc R . .
H37C H 0.3501 0.2184 0.1816 0.093 Uiso 1 1 calc R . .
C38 C 0.3244(4) 0.3247(7) 0.1574(3) 0.045(3) Uani 1 1 d U . .
C39 C 0.1106(5) 0.7954(9) 0.0790(4) 0.068(4) Uani 1 1 d U . .
H39A H 0.0913 0.7628 0.0611 0.101 Uiso 1 1 calc R . .
H39B H 0.1140 0.8495 0.0684 0.101 Uiso 1 1 calc R . .
H39C H 0.0950 0.7984 0.1040 0.101 Uiso 1 1 calc R . .
C40 C 0.1591(4) 0.7581(6) 0.0843(3) 0.042(2) Uani 1 1 d U . .
C41 C 0.3154(5) 0.6596(9) 0.0055(4) 0.060(3) Uani 1 1 d U . .
H41A H 0.3114 0.6097 -0.0091 0.090 Uiso 1 1 calc R . .
H41B H 0.3491 0.6663 0.0129 0.090 Uiso 1 1 calc R . .
H41C H 0.3050 0.7049 -0.0105 0.090 Uiso 1 1 calc R . .
C42 C 0.2852(4) 0.6561(7) 0.0421(3) 0.043(3) Uani 1 1 d U . .
O27 O 0.1243(4) 0.2054(7) 0.1836(4) 0.085(3) Uani 1 1 d U . .
O28 O 0.0000 0.513(6) 0.2500 0.29(4) Uani 0.50 2 d SPDU . .
H28B H 0.0000 0.5703 0.2500 0.348 Uiso 0.50 2 calc SPR . .
O29 O 0.6557(13) 0.573(2) 0.0203(11) 0.306(17) Uani 1 1 d U . .
H29D H 0.6679 0.5520 0.0009 0.459 Uiso 1 1 calc R . .
O30 O 0.558(2) 0.689(4) -0.0143(19) 0.31(3) Uani 0.50 1 d PDU . .
H30A H 0.5310 0.7103 -0.0114 0.367 Uiso 0.50 1 calc PR . .
O31 O 0.578(2) 0.535(3) 0.0894(18) 0.25(3) Uani 0.50 1 d PU . .
C43 C 0.0393(8) 0.1801(17) 0.1987(9) 0.164(11) Uani 1 1 d DU . .
H43A H 0.0183 0.1396 0.2097 0.246 Uiso 1 1 calc R . .
H43B H 0.0292 0.1912 0.1720 0.246 Uiso 1 1 calc R . .
H43C H 0.0376 0.2294 0.2140 0.246 Uiso 1 1 calc R . .
C44 C 0.0922(7) 0.1482(13) 0.1994(7) 0.111(6) Uani 1 1 d DU . .
H44A H 0.1021 0.1360 0.2263 0.133 Uiso 1 1 calc R . .
H44B H 0.0937 0.0979 0.1843 0.133 Uiso 1 1 calc R . .
C45 C 0.1726(6) 0.1796(11) 0.1805(6) 0.088(5) Uani 1 1 d U . .
H45A H 0.1735 0.1309 0.1642 0.106 Uiso 1 1 calc R . .
H45B H 0.1851 0.1651 0.2065 0.106 Uiso 1 1 calc R . .
C46 C 0.2038(6) 0.2415(11) 0.1636(5) 0.089(5) Uani 1 1 d U . .
H46A H 0.2363 0.2205 0.1618 0.134 Uiso 1 1 calc R . .
H46B H 0.2041 0.2892 0.1801 0.134 Uiso 1 1 calc R . .
H46C H 0.1917 0.2558 0.1378 0.134 Uiso 1 1 calc R . .
C47 C -0.012(4) 0.456(4) 0.215(2) 0.29(5) Uani 0.50 1 d PDU . .
H47A H -0.0464 0.4606 0.2080 0.431 Uiso 0.50 1 calc PR . .
H47B H -0.0047 0.4010 0.2215 0.431 Uiso 0.50 1 calc PR . .
H47C H 0.0063 0.4725 0.1923 0.431 Uiso 0.50 1 calc PR . .
C48 C 0.6927(11) 0.5955(19) 0.0475(9) 0.168(11) Uani 1 1 d U . .
H48A H 0.6937 0.6539 0.0498 0.252 Uiso 1 1 calc R . .
H48B H 0.7234 0.5759 0.0385 0.252 Uiso 1 1 calc R . .
H48C H 0.6861 0.5719 0.0728 0.252 Uiso 1 1 calc R . .
C49 C 0.5498(16) 0.674(3) -0.0885(13) 0.115(14) Uani 0.50 1 d PU . .
H49A H 0.5212 0.6460 -0.0804 0.173 Uiso 0.50 1 calc PR . .
H49B H 0.5700 0.6380 -0.1032 0.173 Uiso 0.50 1 calc PR . .
H49C H 0.5405 0.7200 -0.1049 0.173 Uiso 0.50 1 calc PR . .
C50 C 0.574(3) 0.701(5) -0.0575(19) 0.20(3) Uani 0.50 1 d PDU . .
H50A H 0.5775 0.7595 -0.0611 0.236 Uiso 0.50 1 calc PR . .
H50B H 0.6062 0.6778 -0.0590 0.236 Uiso 0.50 1 calc PR . .


_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
Nd1 O16 2.436(7) . ?
Nd1 O12 2.449(7) . ?
Nd1 O18 2.466(8) . ?
Nd1 O6 2.489(7) . ?
Nd1 O5 2.495(7) . ?
Nd1 O25 2.499(8) . ?
Nd1 O10 2.512(7) . ?
Nd1 O2 2.526(8) . ?
Nd1 O1 2.688(7) . ?
Nd2 O14 2.424(7) . ?
Nd2 O6 2.441(7) . ?
Nd2 O19 2.450(9) . ?
Nd2 O22 2.462(7) . ?
Nd2 O7 2.467(8) . ?
Nd2 O5 2.521(7) . ?
Nd2 O4 2.531(6) . ?
Nd2 O23 2.565(8) . ?
Nd2 O3 2.742(7) . ?
Zn1 O26 1.949(11) . ?
Zn1 O2 1.966(8) . ?
Zn1 O9 1.970(10) . ?
Zn1 N1 1.972(12) . ?
Zn2 O5 1.951(7) . ?
Zn2 O21 1.959(8) . ?
Zn2 O15 1.967(9) . ?
Zn2 O13 1.993(8) . ?
Zn3 O11 1.955(8) . ?
Zn3 O6 1.964(7) . ?
Zn3 O20 1.969(8) . ?
Zn3 O17 1.990(8) . ?
Zn4 O8 1.951(8) . ?
Zn4 O24 1.962(8) . ?
Zn4 O4 1.974(7) . ?
Zn4 N2 2.015(8) . ?
N1 C8 1.272(17) . ?
N1 C9 1.556(18) . ?
N2 C18 1.263(14) . ?
N2 C19 1.485(14) . ?
Br1 C4 1.923(11) . ?
Br2 C14 1.922(12) . ?
O1 C2 1.393(13) . ?
O1 C1 1.435(13) . ?
O2 C7 1.316(13) . ?
O3 C12 1.372(12) . ?
O3 C11 1.440(13) . ?
O4 C17 1.310(12) . ?
O5 H5B 0.9800 . ?
O6 H6A 0.9800 . ?
O7 C24 1.257(13) . ?
O8 C24 1.265(13) . ?
O9 C28 1.276(16) . ?
O10 C28 1.194(14) . ?
O11 C42 1.289(14) . ?
O12 C42 1.219(13) . ?
O13 C34 1.265(16) . ?
O14 C34 1.249(15) . ?
O15 C30 1.279(16) . ?
O16 C30 1.223(16) . ?
O17 C40 1.269(14) . ?
O18 C40 1.251(12) . ?
O19 C32 1.266(15) . ?
O20 C32 1.222(15) . ?
O21 C38 1.250(14) . ?
O22 C38 1.247(14) . ?
O23 C36 1.263(13) . ?
O24 C36 1.279(14) . ?
O25 C26 1.253(14) . ?
O26 C26 1.228(15) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.371(15) . ?
C2 C7 1.417(15) . ?
C3 C4 1.379(17) . ?
C3 H3A 0.9300 . ?
C4 C5 1.352(18) . ?
C5 C6 1.411(17) . ?
C5 H5A 0.9300 . ?
C6 C7 1.426(16) . ?
C6 C8 1.459(18) . ?
C8 H8A 0.9300 . ?
C9 C10 1.560(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C22 1.69(3) 2 ?
C10 H10E 0.9700 . ?
C10 H10F 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11E 0.9600 . ?
C12 C13 1.377(15) . ?
C12 C17 1.415(13) . ?
C13 C14 1.425(16) . ?
C13 H13A 0.9300 . ?
C14 C15 1.348(16) . ?
C15 C16 1.383(15) . ?
C15 H15A 0.9300 . ?
C16 C17 1.420(14) . ?
C16 C18 1.498(14) . ?
C18 H18A 0.9300 . ?
C19 C20 1.558(19) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.492(17) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.524(10) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C10 1.69(3) 2 ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 C24 1.479(16) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C25 C26 1.57(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C27 C28 1.524(19) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C29 C30 1.559(19) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C31 C32 1.507(19) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C33 C34 1.489(18) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C35 C36 1.508(17) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C37 C38 1.511(16) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C39 C40 1.475(17) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C41 C42 1.509(15) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
O27 C45 1.400(19) . ?
O27 C44 1.40(2) . ?
O28 C47 1.555(10) . ?
O28 C47 1.555(10) 2 ?
O28 H28B 0.9300 . ?
O29 C48 1.41(4) . ?
O29 H29D 0.8200 . ?
O30 C50 1.554(10) . ?
O30 H30A 0.8200 . ?
C43 C44 1.545(10) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.45(2) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 C50 1.31(7) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?

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
O16 Nd1 O12 77.2(3) . . ?
O16 Nd1 O18 136.0(3) . . ?
O12 Nd1 O18 77.1(3) . . ?
O16 Nd1 O6 130.8(3) . . ?
O12 Nd1 O6 73.0(2) . . ?
O18 Nd1 O6 72.8(2) . . ?
O16 Nd1 O5 75.2(2) . . ?
O12 Nd1 O5 86.6(2) . . ?
O18 Nd1 O5 137.5(2) . . ?
O6 Nd1 O5 64.9(2) . . ?
O16 Nd1 O25 72.6(3) . . ?
O12 Nd1 O25 145.7(3) . . ?
O18 Nd1 O25 136.8(3) . . ?
O6 Nd1 O25 116.1(2) . . ?
O5 Nd1 O25 70.4(2) . . ?
O16 Nd1 O10 145.8(3) . . ?
O12 Nd1 O10 134.4(3) . . ?
O18 Nd1 O10 73.8(3) . . ?
O6 Nd1 O10 65.3(2) . . ?
O5 Nd1 O10 91.7(2) . . ?
O25 Nd1 O10 73.2(3) . . ?
O16 Nd1 O2 96.1(3) . . ?
O12 Nd1 O2 128.6(2) . . ?
O18 Nd1 O2 73.6(3) . . ?
O6 Nd1 O2 133.1(2) . . ?
O5 Nd1 O2 141.6(2) . . ?
O25 Nd1 O2 71.3(3) . . ?
O10 Nd1 O2 74.6(3) . . ?
O16 Nd1 O1 69.4(2) . . ?
O12 Nd1 O1 70.9(2) . . ?
O18 Nd1 O1 68.7(2) . . ?
O6 Nd1 O1 131.7(2) . . ?
O5 Nd1 O1 141.3(2) . . ?
O25 Nd1 O1 111.9(2) . . ?
O10 Nd1 O1 126.6(2) . . ?
O2 Nd1 O1 59.4(2) . . ?
O14 Nd2 O6 90.6(3) . . ?
O14 Nd2 O19 75.3(3) . . ?
O6 Nd2 O19 76.4(3) . . ?
O14 Nd2 O22 75.6(3) . . ?
O6 Nd2 O22 140.2(3) . . ?
O19 Nd2 O22 132.5(3) . . ?
O14 Nd2 O7 137.2(3) . . ?
O6 Nd2 O7 86.2(3) . . ?
O19 Nd2 O7 143.8(3) . . ?
O22 Nd2 O7 79.9(3) . . ?
O14 Nd2 O5 73.1(3) . . ?
O6 Nd2 O5 65.2(2) . . ?
O19 Nd2 O5 129.2(3) . . ?
O22 Nd2 O5 75.0(2) . . ?
O7 Nd2 O5 66.8(2) . . ?
O14 Nd2 O4 130.6(3) . . ?
O6 Nd2 O4 135.0(2) . . ?
O19 Nd2 O4 95.3(3) . . ?
O22 Nd2 O4 76.5(2) . . ?
O7 Nd2 O4 74.9(3) . . ?
O5 Nd2 O4 135.4(2) . . ?
O14 Nd2 O23 142.4(3) . . ?
O6 Nd2 O23 66.5(2) . . ?
O19 Nd2 O23 70.6(3) . . ?
O22 Nd2 O23 140.7(3) . . ?
O7 Nd2 O23 73.4(3) . . ?
O5 Nd2 O23 118.0(3) . . ?
O4 Nd2 O23 69.1(2) . . ?
O14 Nd2 O3 73.7(3) . . ?
O6 Nd2 O3 144.3(2) . . ?
O19 Nd2 O3 68.6(3) . . ?
O22 Nd2 O3 67.5(3) . . ?
O7 Nd2 O3 127.1(2) . . ?
O5 Nd2 O3 134.7(2) . . ?
O4 Nd2 O3 58.1(2) . . ?
O23 Nd2 O3 107.2(3) . . ?
O26 Zn1 O2 106.3(4) . . ?
O26 Zn1 O9 114.2(5) . . ?
O2 Zn1 O9 118.3(4) . . ?
O26 Zn1 N1 113.0(5) . . ?
O2 Zn1 N1 95.9(4) . . ?
O9 Zn1 N1 107.9(5) . . ?
O5 Zn2 O21 114.4(3) . . ?
O5 Zn2 O15 109.3(4) . . ?
O21 Zn2 O15 111.3(4) . . ?
O5 Zn2 O13 111.5(3) . . ?
O21 Zn2 O13 101.3(4) . . ?
O15 Zn2 O13 108.7(4) . . ?
O11 Zn3 O6 112.5(3) . . ?
O11 Zn3 O20 104.1(4) . . ?
O6 Zn3 O20 116.0(3) . . ?
O11 Zn3 O17 112.2(4) . . ?
O6 Zn3 O17 105.0(3) . . ?
O20 Zn3 O17 107.1(3) . . ?
O8 Zn4 O24 108.5(4) . . ?
O8 Zn4 O4 120.4(3) . . ?
O24 Zn4 O4 111.6(3) . . ?
O8 Zn4 N2 107.9(4) . . ?
O24 Zn4 N2 113.0(3) . . ?
O4 Zn4 N2 94.8(3) . . ?
C8 N1 C9 117.2(12) . . ?
C8 N1 Zn1 122.9(10) . . ?
C9 N1 Zn1 119.8(9) . . ?
C18 N2 C19 118.9(9) . . ?
C18 N2 Zn4 123.2(7) . . ?
C19 N2 Zn4 117.8(7) . . ?
C2 O1 C1 116.5(8) . . ?
C2 O1 Nd1 119.3(6) . . ?
C1 O1 Nd1 123.9(6) . . ?
C7 O2 Zn1 124.3(7) . . ?
C7 O2 Nd1 124.4(7) . . ?
Zn1 O2 Nd1 109.1(3) . . ?
C12 O3 C11 116.4(9) . . ?
C12 O3 Nd2 118.0(6) . . ?
C11 O3 Nd2 124.8(7) . . ?
C17 O4 Zn4 125.2(6) . . ?
C17 O4 Nd2 126.5(6) . . ?
Zn4 O4 Nd2 107.8(3) . . ?
Zn2 O5 Nd1 115.5(3) . . ?
Zn2 O5 Nd2 110.8(3) . . ?
Nd1 O5 Nd2 113.3(3) . . ?
Zn2 O5 H5B 105.4 . . ?
Nd1 O5 H5B 105.4 . . ?
Nd2 O5 H5B 105.4 . . ?
Zn3 O6 Nd2 118.8(3) . . ?
Zn3 O6 Nd1 110.9(3) . . ?
Nd2 O6 Nd1 116.4(3) . . ?
Zn3 O6 H6A 102.6 . . ?
Nd2 O6 H6A 102.6 . . ?
Nd1 O6 H6A 102.6 . . ?
C24 O7 Nd2 153.6(8) . . ?
C24 O8 Zn4 115.9(7) . . ?
C28 O9 Zn1 112.1(8) . . ?
C28 O10 Nd1 159.3(8) . . ?
C42 O11 Zn3 120.9(7) . . ?
C42 O12 Nd1 146.2(7) . . ?
C34 O13 Zn2 112.6(8) . . ?
C34 O14 Nd2 158.7(9) . . ?
C30 O15 Zn2 113.3(8) . . ?
C30 O16 Nd1 141.2(8) . . ?
C40 O17 Zn3 112.2(7) . . ?
C40 O18 Nd1 146.0(7) . . ?
C32 O19 Nd2 146.0(8) . . ?
C32 O20 Zn3 116.2(8) . . ?
C38 O21 Zn2 120.9(7) . . ?
C38 O22 Nd2 145.4(7) . . ?
C36 O23 Nd2 156.4(8) . . ?
C36 O24 Zn4 108.5(7) . . ?
C26 O25 Nd1 151.7(8) . . ?
C26 O26 Zn1 116.6(9) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 124.5(10) . . ?
C3 C2 C7 123.9(11) . . ?
O1 C2 C7 111.5(9) . . ?
C2 C3 C4 117.4(10) . . ?
C2 C3 H3A 121.3 . . ?
C4 C3 H3A 121.3 . . ?
C5 C4 C3 122.7(11) . . ?
C5 C4 Br1 119.9(10) . . ?
C3 C4 Br1 117.4(9) . . ?
C4 C5 C6 120.5(12) . . ?
C4 C5 H5A 119.7 . . ?
C6 C5 H5A 119.7 . . ?
C5 C6 C7 119.4(11) . . ?
C5 C6 C8 115.4(12) . . ?
C7 C6 C8 125.2(11) . . ?
O2 C7 C2 119.8(10) . . ?
O2 C7 C6 124.1(10) . . ?
C2 C7 C6 116.1(10) . . ?
N1 C8 C6 126.7(13) . . ?
N1 C8 H8A 116.6 . . ?
C6 C8 H8A 116.6 . . ?
N1 C9 C10 111.5(11) . . ?
N1 C9 H9A 109.3 . . ?
C10 C9 H9A 109.3 . . ?
N1 C9 H9B 109.3 . . ?
C10 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
C9 C10 C22 103.4(18) . 2 ?
C9 C10 H10E 111.1 . . ?
C22 C10 H10E 111.1 2 . ?
C9 C10 H10F 111.1 . . ?
C22 C10 H10F 111.1 2 . ?
H10E C10 H10F 109.0 . . ?
O3 C11 H11A 109.5 . . ?
O3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O3 C11 H11E 109.5 . . ?
H11A C11 H11E 109.5 . . ?
H11B C11 H11E 109.5 . . ?
O3 C12 C13 124.5(9) . . ?
O3 C12 C17 113.1(9) . . ?
C13 C12 C17 122.4(9) . . ?
C12 C13 C14 117.2(10) . . ?
C12 C13 H13A 121.4 . . ?
C14 C13 H13A 121.4 . . ?
C15 C14 C13 122.5(11) . . ?
C15 C14 Br2 120.4(9) . . ?
C13 C14 Br2 117.1(9) . . ?
C14 C15 C16 119.5(10) . . ?
C14 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
C15 C16 C17 121.3(10) . . ?
C15 C16 C18 115.1(9) . . ?
C17 C16 C18 123.5(10) . . ?
O4 C17 C12 117.7(9) . . ?
O4 C17 C16 125.5(9) . . ?
C12 C17 C16 116.8(9) . . ?
N2 C18 C16 127.1(10) . . ?
N2 C18 H18A 116.4 . . ?
C16 C18 H18A 116.4 . . ?
N2 C19 C20 109.7(10) . . ?
N2 C19 H19A 109.7 . . ?
C20 C19 H19A 109.7 . . ?
N2 C19 H19B 109.7 . . ?
C20 C19 H19B 109.7 . . ?
H19A C19 H19B 108.2 . . ?
C21 C20 C19 116.8(12) . . ?
C21 C20 H20A 108.1 . . ?
C19 C20 H20A 108.1 . . ?
C21 C20 H20B 108.1 . . ?
C19 C20 H20B 108.1 . . ?
H20A C20 H20B 107.3 . . ?
C20 C21 C22 108.8(13) . . ?
C20 C21 H21A 109.9 . . ?
C22 C21 H21A 109.9 . . ?
C20 C21 H21B 109.9 . . ?
C22 C21 H21B 109.9 . . ?
H21A C21 H21B 108.3 . . ?
C21 C22 C10 97.0(16) . 2 ?
C21 C22 H22B 112.4 . . ?
C10 C22 H22B 112.4 2 . ?
C21 C22 H22C 112.4 . . ?
C10 C22 H22C 112.4 2 . ?
H22B C22 H22C 109.9 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O7 C24 O8 123.5(11) . . ?
O7 C24 C23 119.9(10) . . ?
O8 C24 C23 116.5(10) . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O26 C26 O25 125.6(12) . . ?
O26 C26 C25 118.6(12) . . ?
O25 C26 C25 115.7(13) . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O10 C28 O9 123.8(12) . . ?
O10 C28 C27 119.8(13) . . ?
O9 C28 C27 116.3(12) . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O16 C30 O15 123.9(13) . . ?
O16 C30 C29 121.2(13) . . ?
O15 C30 C29 114.9(12) . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O20 C32 O19 124.4(12) . . ?
O20 C32 C31 119.0(13) . . ?
O19 C32 C31 116.6(13) . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O14 C34 O13 123.9(12) . . ?
O14 C34 C33 118.7(13) . . ?
O13 C34 C33 117.4(12) . . ?
C36 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C36 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O23 C36 O24 121.7(11) . . ?
O23 C36 C35 118.9(11) . . ?
O24 C36 C35 119.3(10) . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O22 C38 O21 125.0(10) . . ?
O22 C38 C37 117.3(11) . . ?
O21 C38 C37 117.7(11) . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C40 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O18 C40 O17 121.0(11) . . ?
O18 C40 C39 118.6(11) . . ?
O17 C40 C39 120.3(10) . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O12 C42 O11 124.1(10) . . ?
O12 C42 C41 119.0(11) . . ?
O11 C42 C41 116.9(10) . . ?
C45 O27 C44 115.6(14) . . ?
C47 O28 C47 106(10) . 2 ?
C47 O28 H28B 126.9 . . ?
C47 O28 H28B 126.9 2 . ?
C48 O29 H29D 109.5 . . ?
C50 O30 H30A 109.5 . . ?
C44 C43 H43A 109.5 . . ?
C44 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C44 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O27 C44 C43 111.6(18) . . ?
O27 C44 H44A 109.3 . . ?
C43 C44 H44A 109.3 . . ?
O27 C44 H44B 109.3 . . ?
C43 C44 H44B 109.3 . . ?
H44A C44 H44B 108.0 . . ?
O27 C45 C46 112.8(15) . . ?
O27 C45 H45A 109.0 . . ?
C46 C45 H45A 109.0 . . ?
O27 C45 H45B 109.0 . . ?
C46 C45 H45B 109.0 . . ?
H45A C45 H45B 107.8 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O28 C47 H47A 109.5 . . ?
O28 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
O28 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O29 C48 H48A 109.5 . . ?
O29 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
O29 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 H49A 109.5 . . ?
C50 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C50 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C49 C50 O30 124(6) . . ?
C49 C50 H50A 106.2 . . ?
O30 C50 H50A 106.2 . . ?
C49 C50 H50B 106.2 . . ?
O30 C50 H50B 106.2 . . ?
H50A C50 H50B 106.4 . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         2.393
_refine_diff_density_min         -1.856
_refine_diff_density_rms         0.266
_database_code_depnum_ccdc_archive 'CCDC 983620'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_cluster-2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C84 H112 Br4 Yb4 N4 O52 Zn8), 4(C4 H10 O), C2 H7 O, 2(C2 H6 O), C4 H16 O6'
_chemical_formula_sum            'C194 H299 Br8 N8 O117 Yb8 Zn16'
_chemical_formula_weight         7684.93

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  -C2yc

loop_
_symmetry_equiv_pos_as_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                   27.466(6)
_cell_length_b                   16.258(3)
_cell_length_c                   33.847(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.29(3)
_cell_angle_gamma                90.00
_cell_volume                     15111(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    12226
_cell_measurement_theta_min      1.4536
_cell_measurement_theta_max      29.6210

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7550
_exptl_absorpt_coefficient_mu    4.830
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.459343
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(1)
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            21562
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_sigmaI/netI    0.1014
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         1.46
_diffrn_reflns_theta_max         25.00
_reflns_number_total             12847
_reflns_number_gt                8303
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij 
 components approximate to isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1485P)²+99.7154P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12847
_refine_ls_number_parameters     816
_refine_ls_number_restraints     552
_refine_ls_R_factor_all          0.1025
_refine_ls_R_factor_gt           0.0815
_refine_ls_wR_factor_ref         0.2616
_refine_ls_wR_factor_gt          0.2377
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.003
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.68308(2) 0.04530(4) 0.573323(17) 0.0398(2) Uani 1 1 d U . .
Yb2 Yb 0.77884(2) 0.02644(4) 0.670311(17) 0.0392(2) Uani 1 1 d U . .
Zn1 Zn 0.55063(6) 0.03023(12) 0.58323(5) 0.0475(5) Uani 1 1 d U . .
Zn2 Zn 0.77529(6) -0.12322(10) 0.58847(4) 0.0388(4) Uani 1 1 d U . .
Zn3 Zn 0.75042(6) 0.22229(9) 0.61402(4) 0.0308(4) Uani 1 1 d U . .
Zn4 Zn 0.72984(5) 0.02878(9) 0.76958(4) 0.0303(4) Uani 1 1 d U . .
N1 N 0.4943(5) 0.0673(10) 0.5507(4) 0.070(4) Uani 1 1 d DU . .
N2 N 0.7511(4) -0.0199(6) 0.8219(3) 0.031(2) Uani 1 1 d U . .
Br1 Br 0.56207(7) 0.24822(13) 0.39260(5) 0.0726(6) Uani 1 1 d U . .
Br2 Br 0.97452(5) -0.14146(10) 0.81359(5) 0.0505(4) Uani 1 1 d U . .
O1 O 0.6707(3) 0.0866(5) 0.4977(2) 0.0290(19) Uani 1 1 d U . .
O2 O 0.5983(3) 0.0599(6) 0.5436(2) 0.036(2) Uani 1 1 d U . .
O3 O 0.8702(3) 0.0112(5) 0.7032(2) 0.0307(19) Uani 1 1 d U . .
O4 O 0.7919(3) 0.0070(5) 0.7435(2) 0.0257(17) Uani 1 1 d U . .
O5 O 0.7327(3) -0.0485(5) 0.6160(2) 0.0260(18) Uani 1 1 d U . .
H5B H 0.7092 -0.0835 0.6295 0.039 Uiso 1 1 calc R . .
O6 O 0.7273(3) 0.1147(5) 0.6289(2) 0.0228(17) Uani 1 1 d U . .
H6A H 0.7008 0.1283 0.6467 0.034 Uiso 1 1 calc R . .
O7 O 0.7029(3) -0.0398(6) 0.6927(3) 0.038(2) Uani 1 1 d U . .
O8 O 0.6702(3) -0.0246(6) 0.7520(3) 0.038(2) Uani 1 1 d U . .
O9 O 0.5514(4) 0.0897(8) 0.6340(3) 0.070(3) Uani 1 1 d U . .
O10 O 0.6304(3) 0.0836(6) 0.6294(3) 0.041(2) Uani 1 1 d U . .
O11 O 0.7872(3) 0.2210(6) 0.5656(2) 0.036(2) Uani 1 1 d U . .
O12 O 0.7600(3) 0.0947(5) 0.5483(2) 0.0263(18) Uani 1 1 d U . .
O13 O 0.8285(4) -0.0603(6) 0.5612(3) 0.050(3) Uani 1 1 d U . .
O14 O 0.8342(3) 0.0105(6) 0.6162(2) 0.036(2) Uani 1 1 d U . .
O15 O 0.7369(4) -0.1846(7) 0.5491(3) 0.055(3) Uani 1 1 d U . .
O16 O 0.7075(4) -0.0649(5) 0.5300(3) 0.040(2) Uani 1 1 d U . .
O17 O 0.6906(3) 0.2919(5) 0.6087(2) 0.036(2) Uani 1 1 d U . .
O18 O 0.6682(3) 0.1932(5) 0.5663(2) 0.033(2) Uani 1 1 d U . .
O19 O 0.8247(3) 0.1562(6) 0.6682(3) 0.042(2) Uani 1 1 d U . .
O20 O 0.7931(4) 0.2777(6) 0.6520(3) 0.043(2) Uani 1 1 d U . .
O21 O 0.8137(3) -0.1975(6) 0.6228(3) 0.044(2) Uani 1 1 d U . .
O22 O 0.8039(3) -0.1172(5) 0.6749(2) 0.033(2) Uani 1 1 d U . .
O23 O 0.7338(3) 0.1326(5) 0.7094(2) 0.038(2) Uani 1 1 d U . .
O24 O 0.7173(3) 0.1477(5) 0.7728(2) 0.038(2) Uani 1 1 d U . .
O25 O 0.6347(3) -0.0794(6) 0.5902(3) 0.041(2) Uani 1 1 d U . .
O26 O 0.5541(4) -0.0882(7) 0.5893(3) 0.063(3) Uani 1 1 d U . .
C1 C 0.7070(5) 0.0828(9) 0.4683(4) 0.038(3) Uani 1 1 d U . .
H1A H 0.6930 0.0604 0.4444 0.058 Uiso 1 1 calc R . .
H1B H 0.7333 0.0483 0.4774 0.058 Uiso 1 1 calc R . .
H1C H 0.7191 0.1371 0.4633 0.058 Uiso 1 1 calc R . .
C2 C 0.6264(5) 0.1195(8) 0.4846(4) 0.034(3) Uani 1 1 d U . .
C3 C 0.6192(5) 0.1640(9) 0.4507(4) 0.040(3) Uani 1 1 d U . .
H3A H 0.6451 0.1783 0.4349 0.048 Uiso 1 1 calc R . .
C4 C 0.5720(6) 0.1873(10) 0.4405(4) 0.048(4) Uani 1 1 d U . .
C5 C 0.5334(5) 0.1712(9) 0.4637(4) 0.046(4) Uani 1 1 d U . .
H5A H 0.5023 0.1882 0.4558 0.056 Uiso 1 1 calc R . .
C6 C 0.5404(5) 0.1290(9) 0.4993(4) 0.042(3) Uani 1 1 d U . .
C7 C 0.5870(5) 0.1010(8) 0.5117(4) 0.036(3) Uani 1 1 d U . .
C8 C 0.4963(6) 0.1089(11) 0.5213(6) 0.066(5) Uani 1 1 d U . .
H8A H 0.4671 0.1303 0.5114 0.079 Uiso 1 1 calc R . .
C9 C 0.4411(7) 0.0496(12) 0.5689(5) 0.075(5) Uani 1 1 d DU . .
H9A H 0.4164 0.0690 0.5503 0.090 Uiso 1 1 calc R . .
H9B H 0.4371 -0.0094 0.5716 0.090 Uiso 1 1 calc R . .
C10 C 0.4320(10) 0.090(2) 0.6100(7) 0.186(15) Uani 1 1 d DU . .
H10A H 0.4557 0.0700 0.6288 0.279 Uiso 1 1 d R . .
H10B H 0.4350 0.1489 0.6078 0.279 Uiso 1 1 d R . .
C11 C 0.9133(5) 0.0293(9) 0.6828(4) 0.045(4) Uani 1 1 d U . .
H11A H 0.9348 0.0611 0.6996 0.067 Uiso 1 1 calc R . .
H11B H 0.9053 0.0602 0.6594 0.067 Uiso 1 1 calc R . .
H11E H 0.9291 -0.0210 0.6756 0.067 Uiso 1 1 calc R . .
C12 C 0.8748(4) -0.0248(7) 0.7396(3) 0.026(3) Uani 1 1 d U . .
C13 C 0.9172(5) -0.0604(8) 0.7544(4) 0.033(3) Uani 1 1 d U . .
H13A H 0.9452 -0.0629 0.7395 0.039 Uiso 1 1 calc R . .
C14 C 0.9158(5) -0.0923(8) 0.7924(4) 0.037(3) Uani 1 1 d U . .
C15 C 0.8750(5) -0.0910(8) 0.8151(4) 0.033(3) Uani 1 1 d U . .
H15A H 0.8756 -0.1146 0.8401 0.039 Uiso 1 1 calc R . .
C16 C 0.8326(4) -0.0539(7) 0.8003(3) 0.026(3) Uani 1 1 d U . .
C17 C 0.8304(4) -0.0243(7) 0.7612(3) 0.027(3) Uani 1 1 d U . .
C18 C 0.7919(5) -0.0505(7) 0.8277(4) 0.032(3) Uani 1 1 d U . .
H18A H 0.7974 -0.0742 0.8524 0.038 Uiso 1 1 calc R . .
C19 C 0.7141(5) -0.0218(8) 0.8539(4) 0.038(3) Uani 1 1 d U . .
H19A H 0.6862 -0.0542 0.8454 0.046 Uiso 1 1 calc R . .
H19B H 0.7282 -0.0468 0.8775 0.046 Uiso 1 1 calc R . .
C20 C 0.6986(6) 0.0640(10) 0.8626(5) 0.052(4) Uani 1 1 d U . .
H20A H 0.6905 0.0910 0.8377 0.062 Uiso 1 1 calc R . .
H20B H 0.7262 0.0930 0.8744 0.062 Uiso 1 1 calc R . .
C21 C 0.6547(6) 0.0733(12) 0.8903(5) 0.064(5) Uani 1 1 d U . .
H21A H 0.6444 0.1303 0.8910 0.077 Uiso 1 1 calc R . .
H21B H 0.6642 0.0569 0.9169 0.077 Uiso 1 1 calc R . .
C22 C 0.6107(10) 0.0168(18) 0.8745(9) 0.124(9) Uani 1 1 d U . .
H22B H 0.6084 -0.0353 0.8882 0.185 Uiso 1 1 calc R . .
H22C H 0.6105 0.0087 0.8461 0.185 Uiso 1 1 calc R . .
C23 C 0.6204(5) -0.0813(10) 0.7012(4) 0.051(4) Uani 1 1 d U . .
H23A H 0.6225 -0.0953 0.6738 0.077 Uiso 1 1 calc R . .
H23B H 0.5951 -0.0414 0.7046 0.077 Uiso 1 1 calc R . .
H23C H 0.6132 -0.1298 0.7162 0.077 Uiso 1 1 calc R . .
C24 C 0.6682(5) -0.0459(8) 0.7156(4) 0.033(3) Uani 1 1 d U . .
C25 C 0.6002(7) -0.2148(10) 0.5913(6) 0.071(5) Uani 1 1 d U . .
H25A H 0.6330 -0.2323 0.5866 0.106 Uiso 1 1 calc R . .
H25B H 0.5788 -0.2369 0.5711 0.106 Uiso 1 1 calc R . .
H25C H 0.5904 -0.2343 0.6167 0.106 Uiso 1 1 calc R . .
C26 C 0.5978(6) -0.1204(10) 0.5904(5) 0.054(4) Uani 1 1 d U . .
C27 C 0.5981(6) 0.1497(12) 0.6858(5) 0.070(5) Uani 1 1 d U . .
H27A H 0.6318 0.1573 0.6930 0.105 Uiso 1 1 calc R . .
H27B H 0.5825 0.1184 0.7060 0.105 Uiso 1 1 calc R . .
H27C H 0.5825 0.2023 0.6832 0.105 Uiso 1 1 calc R . .
C28 C 0.5941(6) 0.1035(11) 0.6465(5) 0.055(4) Uani 1 1 d U . .
C29 C 0.6785(6) -0.1808(10) 0.4965(5) 0.058(4) Uani 1 1 d U . .
H29A H 0.6828 -0.2394 0.4973 0.088 Uiso 1 1 calc R . .
H29B H 0.6878 -0.1603 0.4712 0.088 Uiso 1 1 calc R . .
H29C H 0.6449 -0.1677 0.5007 0.088 Uiso 1 1 calc R . .
C30 C 0.7097(6) -0.1414(10) 0.5285(5) 0.052(4) Uani 1 1 d U . .
C31 C 0.8557(6) 0.2716(10) 0.7010(5) 0.056(4) Uani 1 1 d U . .
H31A H 0.8759 0.2310 0.7138 0.084 Uiso 1 1 calc R . .
H31B H 0.8369 0.2998 0.7204 0.084 Uiso 1 1 calc R . .
H31C H 0.8758 0.3104 0.6876 0.084 Uiso 1 1 calc R . .
C32 C 0.8226(5) 0.2312(9) 0.6722(4) 0.043(3) Uani 1 1 d U . .
C33 C 0.8891(7) 0.0342(11) 0.5663(5) 0.065(5) Uani 1 1 d U . .
H33A H 0.9011 0.0742 0.5850 0.097 Uiso 1 1 calc R . .
H33B H 0.8800 0.0613 0.5420 0.097 Uiso 1 1 calc R . .
H33C H 0.9141 -0.0055 0.5614 0.097 Uiso 1 1 calc R . .
C34 C 0.8473(5) -0.0066(9) 0.5820(4) 0.040(3) Uani 1 1 d U . .
C35 C 0.7170(6) 0.2700(9) 0.7333(4) 0.052(4) Uani 1 1 d U . .
H35A H 0.7095 0.2942 0.7583 0.078 Uiso 1 1 calc R . .
H35B H 0.6911 0.2811 0.7146 0.078 Uiso 1 1 calc R . .
H35C H 0.7468 0.2930 0.7240 0.078 Uiso 1 1 calc R . .
C36 C 0.7230(5) 0.1762(9) 0.7383(4) 0.037(3) Uani 1 1 d U . .
C37 C 0.8625(5) -0.2277(8) 0.6793(4) 0.041(3) Uani 1 1 d U . .
H37A H 0.8683 -0.2062 0.7054 0.061 Uiso 1 1 calc R . .
H37B H 0.8924 -0.2275 0.6651 0.061 Uiso 1 1 calc R . .
H37C H 0.8505 -0.2830 0.6810 0.061 Uiso 1 1 calc R . .
C38 C 0.8252(5) -0.1748(8) 0.6577(4) 0.034(3) Uani 1 1 d U . .
C39 C 0.6103(5) 0.2957(10) 0.5801(4) 0.049(4) Uani 1 1 d U . .
H39A H 0.5906 0.2632 0.5622 0.074 Uiso 1 1 calc R . .
H39B H 0.6136 0.3502 0.5696 0.074 Uiso 1 1 calc R . .
H39C H 0.5950 0.2982 0.6052 0.074 Uiso 1 1 calc R . .
C40 C 0.6599(5) 0.2569(8) 0.5850(4) 0.034(3) Uani 1 1 d U . .
C41 C 0.8175(5) 0.1619(9) 0.5066(4) 0.042(3) Uani 1 1 d U . .
H41A H 0.8142 0.1125 0.4912 0.063 Uiso 1 1 calc R . .
H41B H 0.8508 0.1684 0.5152 0.063 Uiso 1 1 calc R . .
H41C H 0.8078 0.2083 0.4907 0.063 Uiso 1 1 calc R . .
C42 C 0.7849(5) 0.1563(9) 0.5427(4) 0.035(3) Uani 1 1 d U . .
O27 O 0.6228(4) -0.2925(7) 0.6855(4) 0.072(3) Uani 1 1 d U . .
O28 O 0.5000 -0.079(3) 0.7500 0.098(13) Uani 0.50 2 d SPU . .
H28A H 0.4831 -0.0805 0.7709 0.118 Uiso 0.25 1 d PR . .
O31 O 0.9539(17) -0.040(3) 0.3941(14) 0.152(16) Uani 0.50 1 d PU . .
C43 C 0.5385(7) -0.3177(15) 0.7000(8) 0.110(8) Uani 1 1 d DU . .
H43A H 0.5167 -0.3575 0.7108 0.165 Uiso 1 1 calc R . .
H43B H 0.5295 -0.3073 0.6729 0.165 Uiso 1 1 calc R . .
H43C H 0.5367 -0.2675 0.7148 0.165 Uiso 1 1 calc R . .
C44 C 0.5907(6) -0.3510(13) 0.7024(7) 0.082(6) Uani 1 1 d DU . .
H44A H 0.6002 -0.3610 0.7298 0.098 Uiso 1 1 calc R . .
H44B H 0.5926 -0.4027 0.6882 0.098 Uiso 1 1 calc R . .
C45 C 0.6734(6) -0.3232(12) 0.6835(6) 0.071(5) Uani 1 1 d U . .
H45A H 0.6741 -0.3732 0.6678 0.086 Uiso 1 1 calc R . .
H45B H 0.6858 -0.3358 0.7098 0.086 Uiso 1 1 calc R . .
C46 C 0.7049(7) -0.2584(11) 0.6649(5) 0.067(5) Uani 1 1 d U . .
H46A H 0.7371 -0.2799 0.6615 0.101 Uiso 1 1 calc R . .
H46B H 0.7065 -0.2109 0.6817 0.101 Uiso 1 1 calc R . .
H46C H 0.6911 -0.2432 0.6396 0.101 Uiso 1 1 calc R . .
C48 C 0.486(3) -0.061(4) 0.716(2) 0.18(3) Uani 0.50 1 d PU . .
H48A H 0.4970 -0.0063 0.7099 0.272 Uiso 0.50 1 calc PR . .
H48B H 0.4509 -0.0618 0.7151 0.272 Uiso 0.50 1 calc PR . .
H48C H 0.4985 -0.0994 0.6979 0.272 Uiso 0.50 1 calc PR . .
O29 O 0.8122(10) -0.0766(18) 0.4557(9) 0.209(11) Uani 1 1 d DU . .
H29F H 0.8169 -0.0494 0.4357 0.313 Uiso 1 1 calc R . .
C47 C 0.8511(16) -0.061(3) 0.4844(14) 0.28(3) Uani 1 1 d DU . .
H47A H 0.8729 -0.0205 0.4742 0.420 Uiso 1 1 calc R . .
H47B H 0.8687 -0.1112 0.4895 0.420 Uiso 1 1 calc R . .
H47C H 0.8375 -0.0413 0.5085 0.420 Uiso 1 1 calc R . .
O30 O 0.9489(13) -0.174(2) 0.5871(11) 0.122(12) Uani 0.50 1 d PDU . .
H30A H 0.9266 -0.1804 0.6025 0.183 Uiso 0.50 1 calc PR . .
C49 C 0.963(3) -0.165(5) 0.514(2) 0.21(3) Uani 0.50 1 d PDU . .
H49A H 0.9484 -0.1794 0.4890 0.309 Uiso 0.50 1 calc PR . .
H49B H 0.9960 -0.1864 0.5152 0.309 Uiso 0.50 1 calc PR . .
H49C H 0.9646 -0.1060 0.5163 0.309 Uiso 0.50 1 calc PR . .
C50 C 0.933(3) -0.201(6) 0.5480(14) 0.28(5) Uani 0.50 1 d PDU . .
H50A H 0.8995 -0.1866 0.5437 0.339 Uiso 0.50 1 calc PR . .
H50B H 0.9357 -0.2608 0.5470 0.339 Uiso 0.50 1 calc PR . .


_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
Yb1 O16 2.420(8) . ?
Yb1 O12 2.431(8) . ?
Yb1 O18 2.450(8) . ?
Yb1 O5 2.486(7) . ?
Yb1 O6 2.487(7) . ?
Yb1 O10 2.492(9) . ?
Yb1 O25 2.498(9) . ?
Yb1 O2 2.526(9) . ?
Yb1 O1 2.661(8) . ?
Yb1 Zn1 3.6689(19) . ?
Yb1 Zn3 3.6721(17) . ?
Yb1 Zn2 3.7585(17) . ?
Yb2 O14 2.420(8) . ?
Yb2 O6 2.437(7) . ?
Yb2 O22 2.440(8) . ?
Yb2 O19 2.458(9) . ?
Yb2 O7 2.480(9) . ?
Yb2 O4 2.515(8) . ?
Yb2 O23 2.516(8) . ?
Yb2 O5 2.522(8) . ?
Yb2 O3 2.734(8) . ?
Yb2 Zn4 3.6476(17) . ?
Yb2 Zn2 3.6867(17) . ?
Zn1 O26 1.939(12) . ?
Zn1 O2 1.956(9) . ?
Zn1 O9 1.970(12) . ?
Zn1 N1 1.973(15) . ?
Zn2 O5 1.941(8) . ?
Zn2 O15 1.954(10) . ?
Zn2 O21 1.965(9) . ?
Zn2 O13 2.024(10) . ?
Zn3 O6 1.932(8) . ?
Zn3 O20 1.941(9) . ?
Zn3 O11 1.945(9) . ?
Zn3 O17 1.999(9) . ?
Zn4 O8 1.936(9) . ?
Zn4 O24 1.968(9) . ?
Zn4 O4 1.970(8) . ?
Zn4 N2 2.014(10) . ?
N1 C8 1.21(2) . ?
N1 C9 1.62(2) . ?
N2 C18 1.237(16) . ?
N2 C19 1.501(15) . ?
Br1 C4 1.916(13) . ?
Br2 C14 1.924(13) . ?
O1 C2 1.393(14) . ?
O1 C1 1.425(14) . ?
O2 C7 1.302(15) . ?
O3 C12 1.368(14) . ?
O3 C11 1.414(15) . ?
O4 C17 1.306(14) . ?
O5 H5B 0.9800 . ?
O6 H6A 0.9800 . ?
O7 C24 1.246(15) . ?
O8 C24 1.279(16) . ?
O9 C28 1.260(18) . ?
O10 C28 1.208(18) . ?
O11 C42 1.306(15) . ?
O12 C42 1.231(15) . ?
O13 C34 1.227(17) . ?
O14 C34 1.254(16) . ?
O15 C30 1.231(18) . ?
O16 C30 1.246(18) . ?
O17 C40 1.285(15) . ?
O18 C40 1.237(15) . ?
O19 C32 1.229(16) . ?
O20 C32 1.294(16) . ?
O21 C38 1.271(15) . ?
O22 C38 1.254(15) . ?
O23 C36 1.252(15) . ?
O24 C36 1.269(15) . ?
O25 C26 1.215(18) . ?
O26 C26 1.309(19) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.365(17) . ?
C2 C7 1.466(18) . ?
C3 C4 1.385(19) . ?
C3 H3A 0.9300 . ?
C4 C5 1.36(2) . ?
C5 C6 1.397(19) . ?
C5 H5A 0.9300 . ?
C6 C7 1.415(18) . ?
C6 C8 1.47(2) . ?
C8 H8A 0.9300 . ?
C9 C10 1.564(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C22 1.76(4) 2_656 ?
C10 H10A 0.9600 . ?
C10 H10B 0.9599 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11E 0.9600 . ?
C12 C13 1.384(17) . ?
C12 C17 1.437(16) . ?
C13 C14 1.390(18) . ?
C13 H13A 0.9300 . ?
C14 C15 1.372(18) . ?
C15 C16 1.393(17) . ?
C15 H15A 0.9300 . ?
C16 C17 1.407(16) . ?
C16 C18 1.471(16) . ?
C18 H18A 0.9300 . ?
C19 C20 1.49(2) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.55(2) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.60(3) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C10 1.76(4) 2_656 ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 C24 1.505(19) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C25 C26 1.54(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C27 C28 1.53(2) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C29 C30 1.51(2) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C31 C32 1.471(19) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C33 C34 1.44(2) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C35 C36 1.54(2) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C37 C38 1.513(18) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C39 C40 1.506(19) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C41 C42 1.535(16) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
O27 C44 1.43(2) . ?
O27 C45 1.48(2) . ?
O28 C48 1.23(7) . ?
O28 C48 1.23(7) 2_656 ?
O28 H28A 0.8535 . ?
C43 C44 1.533(10) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.51(2) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
O29 C47 1.450(10) . ?
O29 H29F 0.8200 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
O30 C50 1.451(10) . ?
O30 H30A 0.8200 . ?
C49 C50 1.552(10) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?

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
O16 Yb1 O12 77.2(3) . . ?
O16 Yb1 O18 135.7(3) . . ?
O12 Yb1 O18 77.7(3) . . ?
O16 Yb1 O5 75.1(3) . . ?
O12 Yb1 O5 86.3(3) . . ?
O18 Yb1 O5 138.3(3) . . ?
O16 Yb1 O6 131.1(3) . . ?
O12 Yb1 O6 72.6(2) . . ?
O18 Yb1 O6 72.9(3) . . ?
O5 Yb1 O6 65.6(3) . . ?
O16 Yb1 O10 145.1(3) . . ?
O12 Yb1 O10 135.0(3) . . ?
O18 Yb1 O10 74.3(3) . . ?
O5 Yb1 O10 91.7(3) . . ?
O6 Yb1 O10 65.9(3) . . ?
O16 Yb1 O25 72.2(3) . . ?
O12 Yb1 O25 145.0(3) . . ?
O18 Yb1 O25 136.9(3) . . ?
O5 Yb1 O25 69.9(3) . . ?
O6 Yb1 O25 116.6(3) . . ?
O10 Yb1 O25 73.0(3) . . ?
O16 Yb1 O2 95.4(3) . . ?
O12 Yb1 O2 129.1(3) . . ?
O18 Yb1 O2 73.7(3) . . ?
O5 Yb1 O2 141.0(3) . . ?
O6 Yb1 O2 133.5(3) . . ?
O10 Yb1 O2 74.6(3) . . ?
O25 Yb1 O2 71.2(3) . . ?
O16 Yb1 O1 68.6(3) . . ?
O12 Yb1 O1 71.0(2) . . ?
O18 Yb1 O1 69.0(3) . . ?
O5 Yb1 O1 140.4(3) . . ?
O6 Yb1 O1 131.5(2) . . ?
O10 Yb1 O1 127.3(3) . . ?
O25 Yb1 O1 111.6(3) . . ?
O2 Yb1 O1 59.8(3) . . ?
O16 Yb1 Zn1 107.2(2) . . ?
O12 Yb1 Zn1 157.72(18) . . ?
O18 Yb1 Zn1 84.9(2) . . ?
O5 Yb1 Zn1 115.95(19) . . ?
O6 Yb1 Zn1 115.41(17) . . ?
O10 Yb1 Zn1 49.7(2) . . ?
O25 Yb1 Zn1 52.5(2) . . ?
O2 Yb1 Zn1 30.2(2) . . ?
O1 Yb1 Zn1 89.96(17) . . ?
O16 Yb1 Zn3 131.5(2) . . ?
O12 Yb1 Zn3 55.79(19) . . ?
O18 Yb1 Zn3 49.38(19) . . ?
O5 Yb1 Zn3 89.85(18) . . ?
O6 Yb1 Zn3 29.25(17) . . ?
O10 Yb1 Zn3 79.3(2) . . ?
O25 Yb1 Zn3 144.7(2) . . ?
O2 Yb1 Zn3 121.9(2) . . ?
O1 Yb1 Zn3 102.44(18) . . ?
Zn1 Yb1 Zn3 120.68(4) . . ?
O16 Yb1 Zn2 49.3(2) . . ?
O12 Yb1 Zn2 72.54(19) . . ?
O18 Yb1 Zn2 147.1(2) . . ?
O5 Yb1 Zn2 27.74(18) . . ?
O6 Yb1 Zn2 84.93(18) . . ?
O10 Yb1 Zn2 118.7(2) . . ?
O25 Yb1 Zn2 74.8(2) . . ?
O2 Yb1 Zn2 137.3(2) . . ?
O1 Yb1 Zn2 112.73(18) . . ?
Zn1 Yb1 Zn2 127.25(4) . . ?
Zn3 Yb1 Zn2 100.83(4) . . ?
O14 Yb2 O6 89.8(3) . . ?
O14 Yb2 O22 76.3(3) . . ?
O6 Yb2 O22 139.5(3) . . ?
O14 Yb2 O19 74.9(3) . . ?
O6 Yb2 O19 76.7(3) . . ?
O22 Yb2 O19 132.8(3) . . ?
O14 Yb2 O7 137.0(3) . . ?
O6 Yb2 O7 87.1(3) . . ?
O22 Yb2 O7 78.6(3) . . ?
O19 Yb2 O7 144.7(3) . . ?
O14 Yb2 O4 130.8(3) . . ?
O6 Yb2 O4 135.1(2) . . ?
O22 Yb2 O4 77.5(3) . . ?
O19 Yb2 O4 94.3(3) . . ?
O7 Yb2 O4 75.3(3) . . ?
O14 Yb2 O23 142.7(3) . . ?
O6 Yb2 O23 67.1(3) . . ?
O22 Yb2 O23 139.9(3) . . ?
O19 Yb2 O23 71.7(3) . . ?
O7 Yb2 O23 73.2(3) . . ?
O4 Yb2 O23 68.3(3) . . ?
O14 Yb2 O5 73.2(3) . . ?
O6 Yb2 O5 65.8(3) . . ?
O22 Yb2 O5 73.8(3) . . ?
O19 Yb2 O5 130.0(3) . . ?
O7 Yb2 O5 66.5(3) . . ?
O4 Yb2 O5 135.7(3) . . ?
O23 Yb2 O5 117.9(3) . . ?
O14 Yb2 O3 73.2(3) . . ?
O6 Yb2 O3 143.5(3) . . ?
O22 Yb2 O3 68.4(3) . . ?
O19 Yb2 O3 67.9(3) . . ?
O7 Yb2 O3 127.3(3) . . ?
O4 Yb2 O3 58.6(2) . . ?
O23 Yb2 O3 107.9(3) . . ?
O5 Yb2 O3 134.0(3) . . ?
O14 Yb2 Zn4 161.6(2) . . ?
O6 Yb2 Zn4 107.55(17) . . ?
O22 Yb2 Zn4 93.50(19) . . ?
O19 Yb2 Zn4 102.6(2) . . ?
O7 Yb2 Zn4 52.6(2) . . ?
O4 Yb2 Zn4 30.87(18) . . ?
O23 Yb2 Zn4 46.6(2) . . ?
O5 Yb2 Zn4 119.10(18) . . ?
O3 Yb2 Zn4 88.90(17) . . ?
O14 Yb2 Zn2 50.8(2) . . ?
O6 Yb2 Zn2 87.23(17) . . ?
O22 Yb2 Zn2 54.43(19) . . ?
O19 Yb2 Zn2 123.3(2) . . ?
O7 Yb2 Zn2 86.3(2) . . ?
O4 Yb2 Zn2 131.13(18) . . ?
O23 Yb2 Zn2 147.4(2) . . ?
O5 Yb2 Zn2 29.49(18) . . ?
O3 Yb2 Zn2 104.72(18) . . ?
Zn4 Yb2 Zn2 134.03(4) . . ?
O14 Yb2 Yb1 79.0(2) . . ?
O6 Yb2 Yb1 32.47(17) . . ?
O22 Yb2 Yb1 107.0(2) . . ?
O19 Yb2 Yb1 103.2(2) . . ?
O7 Yb2 Yb1 75.7(2) . . ?
O4 Yb2 Yb1 149.10(18) . . ?
O23 Yb2 Yb1 93.1(2) . . ?
O5 Yb2 Yb1 33.33(17) . . ?
O3 Yb2 Yb1 152.09(17) . . ?
Zn4 Yb2 Yb1 119.01(3) . . ?
Zn2 Yb2 Yb1 56.75(3) . . ?
O26 Zn1 O2 106.6(4) . . ?
O26 Zn1 O9 113.3(5) . . ?
O2 Zn1 O9 118.9(5) . . ?
O26 Zn1 N1 113.5(6) . . ?
O2 Zn1 N1 94.1(5) . . ?
O9 Zn1 N1 109.2(6) . . ?
O26 Zn1 Yb1 91.7(3) . . ?
O2 Zn1 Yb1 40.6(3) . . ?
O9 Zn1 Yb1 93.2(3) . . ?
N1 Zn1 Yb1 134.1(4) . . ?
O5 Zn2 O15 109.0(4) . . ?
O5 Zn2 O21 115.0(4) . . ?
O15 Zn2 O21 111.3(4) . . ?
O5 Zn2 O13 110.6(4) . . ?
O15 Zn2 O13 109.4(5) . . ?
O21 Zn2 O13 101.3(4) . . ?
O5 Zn2 Yb2 39.8(2) . . ?
O15 Zn2 Yb2 148.6(3) . . ?
O21 Zn2 Yb2 87.5(3) . . ?
O13 Zn2 Yb2 90.1(3) . . ?
O5 Zn2 Yb1 36.6(2) . . ?
O15 Zn2 Yb1 85.9(3) . . ?
O21 Zn2 Yb1 151.6(3) . . ?
O13 Zn2 Yb1 93.5(3) . . ?
Yb2 Zn2 Yb1 68.14(3) . . ?
O6 Zn3 O20 116.4(3) . . ?
O6 Zn3 O11 113.0(4) . . ?
O20 Zn3 O11 104.2(4) . . ?
O6 Zn3 O17 105.2(3) . . ?
O20 Zn3 O17 106.3(4) . . ?
O11 Zn3 O17 111.8(4) . . ?
O6 Zn3 Yb1 39.0(2) . . ?
O20 Zn3 Yb1 154.6(3) . . ?
O11 Zn3 Yb1 86.7(3) . . ?
O17 Zn3 Yb1 90.2(3) . . ?
O8 Zn4 O24 108.0(4) . . ?
O8 Zn4 O4 121.1(4) . . ?
O24 Zn4 O4 110.9(4) . . ?
O8 Zn4 N2 108.7(4) . . ?
O24 Zn4 N2 112.6(4) . . ?
O4 Zn4 N2 95.0(4) . . ?
O8 Zn4 Yb2 92.2(3) . . ?
O24 Zn4 Yb2 97.5(2) . . ?
O4 Zn4 Yb2 40.9(2) . . ?
N2 Zn4 Yb2 134.4(3) . . ?
C8 N1 C9 118.2(15) . . ?
C8 N1 Zn1 125.6(13) . . ?
C9 N1 Zn1 115.7(10) . . ?
C18 N2 C19 120.1(11) . . ?
C18 N2 Zn4 122.8(9) . . ?
C19 N2 Zn4 117.0(8) . . ?
C2 O1 C1 114.4(10) . . ?
C2 O1 Yb1 119.7(7) . . ?
C1 O1 Yb1 125.8(7) . . ?
C7 O2 Zn1 123.0(8) . . ?
C7 O2 Yb1 125.4(8) . . ?
Zn1 O2 Yb1 109.2(4) . . ?
C12 O3 C11 117.9(10) . . ?
C12 O3 Yb2 118.0(7) . . ?
C11 O3 Yb2 123.6(8) . . ?
C17 O4 Zn4 124.3(7) . . ?
C17 O4 Yb2 126.7(7) . . ?
Zn4 O4 Yb2 108.2(3) . . ?
Zn2 O5 Yb1 115.6(3) . . ?
Zn2 O5 Yb2 110.7(3) . . ?
Yb1 O5 Yb2 112.8(3) . . ?
Zn2 O5 H5B 105.6 . . ?
Yb1 O5 H5B 105.6 . . ?
Yb2 O5 H5B 105.6 . . ?
Zn3 O6 Yb2 119.5(3) . . ?
Zn3 O6 Yb1 111.8(3) . . ?
Yb2 O6 Yb1 115.8(3) . . ?
Zn3 O6 H6A 102.1 . . ?
Yb2 O6 H6A 102.1 . . ?
Yb1 O6 H6A 102.1 . . ?
C24 O7 Yb2 152.2(9) . . ?
C24 O8 Zn4 115.8(8) . . ?
C28 O9 Zn1 111.9(11) . . ?
C28 O10 Yb1 158.7(10) . . ?
C42 O11 Zn3 119.2(8) . . ?
C42 O12 Yb1 144.3(9) . . ?
C34 O13 Zn2 113.5(9) . . ?
C34 O14 Yb2 157.3(9) . . ?
C30 O15 Zn2 114.0(10) . . ?
C30 O16 Yb1 141.1(10) . . ?
C40 O17 Zn3 109.5(8) . . ?
C40 O18 Yb1 143.6(8) . . ?
C32 O19 Yb2 145.5(9) . . ?
C32 O20 Zn3 116.2(9) . . ?
C38 O21 Zn2 119.3(9) . . ?
C38 O22 Yb2 145.0(8) . . ?
C36 O23 Yb2 158.2(8) . . ?
C36 O24 Zn4 106.3(8) . . ?
C26 O25 Yb1 153.6(10) . . ?
C26 O26 Zn1 116.3(10) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 125.5(12) . . ?
C3 C2 C7 122.6(12) . . ?
O1 C2 C7 111.9(11) . . ?
C2 C3 C4 118.1(13) . . ?
C2 C3 H3A 121.0 . . ?
C4 C3 H3A 121.0 . . ?
C5 C4 C3 122.8(13) . . ?
C5 C4 Br1 119.3(11) . . ?
C3 C4 Br1 117.8(11) . . ?
C4 C5 C6 119.9(13) . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C5 C6 C7 121.2(14) . . ?
C5 C6 C8 116.6(13) . . ?
C7 C6 C8 121.9(13) . . ?
O2 C7 C6 127.5(12) . . ?
O2 C7 C2 117.3(11) . . ?
C6 C7 C2 115.2(12) . . ?
N1 C8 C6 126.6(16) . . ?
N1 C8 H8A 116.7 . . ?
C6 C8 H8A 116.7 . . ?
C10 C9 N1 115.2(13) . . ?
C10 C9 H9A 108.5 . . ?
N1 C9 H9A 108.5 . . ?
C10 C9 H9B 108.5 . . ?
N1 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
C9 C10 C22 96(2) . 2_656 ?
C9 C10 H10A 109.0 . . ?
C22 C10 H10A 90.8 2_656 . ?
C9 C10 H10B 109.7 . . ?
C22 C10 H10B 139.0 2_656 . ?
H10A C10 H10B 109.5 . . ?
O3 C11 H11A 109.5 . . ?
O3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O3 C11 H11E 109.5 . . ?
H11A C11 H11E 109.5 . . ?
H11B C11 H11E 109.5 . . ?
O3 C12 C13 124.3(11) . . ?
O3 C12 C17 113.3(9) . . ?
C13 C12 C17 122.4(11) . . ?
C12 C13 C14 116.8(12) . . ?
C12 C13 H13A 121.6 . . ?
C14 C13 H13A 121.6 . . ?
C15 C14 C13 123.5(12) . . ?
C15 C14 Br2 119.1(10) . . ?
C13 C14 Br2 117.4(10) . . ?
C14 C15 C16 119.4(12) . . ?
C14 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
C15 C16 C17 120.3(11) . . ?
C15 C16 C18 115.5(11) . . ?
C17 C16 C18 124.2(11) . . ?
O4 C17 C16 125.7(11) . . ?
O4 C17 C12 117.0(10) . . ?
C16 C17 C12 117.2(11) . . ?
N2 C18 C16 127.9(12) . . ?
N2 C18 H18A 116.1 . . ?
C16 C18 H18A 116.1 . . ?
C20 C19 N2 109.0(11) . . ?
C20 C19 H19A 109.9 . . ?
N2 C19 H19A 109.9 . . ?
C20 C19 H19B 109.9 . . ?
N2 C19 H19B 109.9 . . ?
H19A C19 H19B 108.3 . . ?
C19 C20 C21 116.1(14) . . ?
C19 C20 H20A 108.3 . . ?
C21 C20 H20A 108.3 . . ?
C19 C20 H20B 108.3 . . ?
C21 C20 H20B 108.3 . . ?
H20A C20 H20B 107.4 . . ?
C20 C21 C22 109.5(17) . . ?
C20 C21 H21A 109.8 . . ?
C22 C21 H21A 109.8 . . ?
C20 C21 H21B 109.8 . . ?
C22 C21 H21B 109.8 . . ?
H21A C21 H21B 108.2 . . ?
C21 C22 C10 91(2) . 2_656 ?
C21 C22 H22B 113.5 . . ?
C10 C22 H22B 113.5 2_656 . ?
C21 C22 H22C 113.5 . . ?
C10 C22 H22C 113.5 2_656 . ?
H22B C22 H22C 110.8 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O7 C24 O8 124.1(12) . . ?
O7 C24 C23 120.2(12) . . ?
O8 C24 C23 115.7(12) . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O25 C26 O26 123.1(15) . . ?
O25 C26 C25 120.8(16) . . ?
O26 C26 C25 116.1(15) . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O10 C28 O9 124.2(16) . . ?
O10 C28 C27 120.3(15) . . ?
O9 C28 C27 115.5(15) . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O15 C30 O16 125.2(15) . . ?
O15 C30 C29 119.6(15) . . ?
O16 C30 C29 115.1(14) . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O19 C32 O20 123.4(13) . . ?
O19 C32 C31 119.2(14) . . ?
O20 C32 C31 117.4(13) . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O13 C34 O14 124.1(13) . . ?
O13 C34 C33 116.5(14) . . ?
O14 C34 C33 119.2(15) . . ?
C36 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C36 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O23 C36 O24 123.4(13) . . ?
O23 C36 C35 120.0(12) . . ?
O24 C36 C35 116.5(12) . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O22 C38 O21 122.7(12) . . ?
O22 C38 C37 121.2(12) . . ?
O21 C38 C37 115.8(12) . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C40 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O18 C40 O17 124.2(12) . . ?
O18 C40 C39 118.1(12) . . ?
O17 C40 C39 117.7(12) . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O12 C42 O11 125.9(12) . . ?
O12 C42 C41 120.3(12) . . ?
O11 C42 C41 113.8(11) . . ?
C44 O27 C45 112.6(13) . . ?
C48 O28 C48 152(9) . 2_656 ?
C48 O28 H28A 127.4 . . ?
C48 O28 H28A 53.9 2_656 . ?
C44 C43 H43A 109.5 . . ?
C44 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C44 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O27 C44 C43 109.2(17) . . ?
O27 C44 H44A 109.8 . . ?
C43 C44 H44A 109.8 . . ?
O27 C44 H44B 109.8 . . ?
C43 C44 H44B 109.8 . . ?
H44A C44 H44B 108.3 . . ?
O27 C45 C46 109.4(15) . . ?
O27 C45 H45A 109.8 . . ?
C46 C45 H45A 109.8 . . ?
O27 C45 H45B 109.8 . . ?
C46 C45 H45B 109.8 . . ?
H45A C45 H45B 108.2 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O28 C48 H48A 109.5 . . ?
O28 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
O28 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 O29 H29F 109.5 . . ?
O29 C47 H47A 109.5 . . ?
O29 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
O29 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C50 O30 H30A 109.5 . . ?
C50 C49 H49A 109.5 . . ?
C50 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C50 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
O30 C50 C49 114(6) . . ?
O30 C50 H50A 108.7 . . ?
C49 C50 H50A 108.7 . . ?
O30 C50 H50B 108.7 . . ?
C49 C50 H50B 108.7 . . ?
H50A C50 H50B 107.6 . . ?

_diffrn_measured_fraction_theta_max 0.966
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.966
_refine_diff_density_max         2.602
_refine_diff_density_min         -2.129
_refine_diff_density_rms         0.274
_database_code_depnum_ccdc_archive 'CCDC 1011985'
