# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_jesse01_sq
_database_code_depnum_ccdc_archive 'CCDC 1400565'
_audit_update_record             
;
2015-05-12 deposited with the CCDC.
2015-06-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        1,3,5-tris(4-carboxyphenyl)benzene
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H18 O6'
_chemical_formula_sum            'C27 H18 O6'
_chemical_formula_weight         438.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   31.1904(16)
_cell_length_b                   31.2132(14)
_cell_length_c                   51.976(3)
_cell_angle_alpha                72.710(4)
_cell_angle_beta                 77.555(3)
_cell_angle_gamma                60.912(3)
_cell_volume                     42068(4)
_cell_formula_units_Z            56
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4543
_cell_measurement_theta_min      3.81
_cell_measurement_theta_max      65.76

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.969
_exptl_crystal_F_000             12768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.617
_exptl_crystal_size_mid          0.151
_exptl_crystal_size_min          0.082
_exptl_absorpt_coefficient_mu    0.567
_shelx_estimated_absorpt_T_min   0.721
_shelx_estimated_absorpt_T_max   0.955
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.6712
_exptl_absorpt_correction_T_max  0.7446
_exptl_absorpt_process_details   'sadabs (Sheldrick, 2011)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'I-mu-S microsource X-ray tube'
_diffrn_radiation_monochromator  'laterally graded multilayer (Goebel) mirror'
_diffrn_measurement_device_type  'Bruker AXS Prospector CCD diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            148299
_diffrn_reflns_av_unetI/netI     0.1794
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_theta_min         1.627
_diffrn_reflns_theta_max         68.394
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measured_fraction_theta_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.480
_diffrn_reflns_point_group_measured_fraction_full 0.486
_reflns_number_total             148299
_reflns_number_gt                73443
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     0.000
_reflns_Friedel_fraction_full    0.000

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

_computing_data_collection       'Apex2 v2011.2-0 (Bruker, 2011)'
_computing_cell_refinement       'SAINT V7.68A (Bruker, 2011)'
_computing_data_reduction        'SAINT V7.68A (Bruker, 2011)'
_computing_structure_solution    'SHELXD (Bruker, 2011)'
_computing_structure_refinement  
;  
SHELXL-2014/7 (Sheldrick, 2014), 
SHELXLE Rev686 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0905P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_ls_extinction_coef       0.000036(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
No quotients, so Flack parameter determined by classical intensity fit
;
_refine_ls_abs_structure_Flack   -0.09(7)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         148299
_refine_ls_number_parameters     16805
_refine_ls_number_restraints     172
_refine_ls_R_factor_all          0.1237
_refine_ls_R_factor_gt           0.0694
_refine_ls_wR_factor_ref         0.1766
_refine_ls_wR_factor_gt          0.1612
_refine_ls_goodness_of_fit_ref   0.893
_refine_ls_restrained_S_all      0.893
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1_1 C 1.1214(2) 0.4974(2) 0.90254(12) 0.0374(15) Uani 1 1 d . . . . .
C2_1 C 1.1066(2) 0.46131(19) 0.91608(12) 0.0382(15) Uani 1 1 d . . . . .
H2_1 H 1.1134 0.4350 0.9078 0.046 Uiso 1 1 calc R U . . .
C3_1 C 1.0814(2) 0.46240(19) 0.94190(12) 0.0362(15) Uani 1 1 d . . . . .
C4_1 C 1.0705(2) 0.50081(19) 0.95367(12) 0.0360(14) Uani 1 1 d . . . . .
H4_1 H 1.0534 0.5017 0.9712 0.043 Uiso 1 1 calc R U . . .
C5_1 C 1.0843(2) 0.5386(2) 0.94017(12) 0.0358(14) Uani 1 1 d . . . . .
C6_1 C 1.1088(2) 0.5375(2) 0.91452(13) 0.0409(15) Uani 1 1 d . . . . .
H6_1 H 1.1172 0.5639 0.9050 0.049 Uiso 1 1 calc R U . . .
C7_1 C 1.1483(2) 0.49498(18) 0.87547(12) 0.0326(14) Uani 1 1 d . . . . .
C8_1 C 1.1453(2) 0.4684(2) 0.85862(13) 0.0421(16) Uani 1 1 d . . . . .
H8_1 H 1.1251 0.4518 0.8648 0.050 Uiso 1 1 calc R U . . .
C9_1 C 1.1701(2) 0.4660(2) 0.83425(13) 0.0418(16) Uani 1 1 d . . . . .
H9_1 H 1.1675 0.4477 0.8235 0.050 Uiso 1 1 calc R U . . .
C10_1 C 1.2004(2) 0.49068(18) 0.82430(12) 0.0323(14) Uani 1 1 d D . . . .
C11_1 C 1.2041(2) 0.5166(2) 0.84003(12) 0.0390(15) Uani 1 1 d . . . . .
H11_1 H 1.2244 0.5331 0.8336 0.047 Uiso 1 1 calc R U . . .
C12_1 C 1.1789(2) 0.51904(19) 0.86497(13) 0.0421(16) Uani 1 1 d . . . . .
H12_1 H 1.1820 0.5374 0.8755 0.050 Uiso 1 1 calc R U . . .
C13_1 C 1.2278(2) 0.48584(19) 0.79708(13) 0.0377(16) Uani 1 1 d . . . . .
C14_1 C 1.0660(2) 0.4221(2) 0.95658(13) 0.0377(15) Uani 1 1 d . . . . .
C15_1 C 1.0702(3) 0.4030(2) 0.98388(13) 0.0531(18) Uani 1 1 d . . . . .
H15_1 H 1.0836 0.4150 0.9933 0.064 Uiso 1 1 calc R U . . .
C16_1 C 1.0550(2) 0.3661(2) 0.99808(14) 0.0541(18) Uani 1 1 d . . . . .
H16_1 H 1.0574 0.3537 1.0170 0.065 Uiso 1 1 calc R U . . .
C17_1 C 1.0369(3) 0.3485(2) 0.98442(15) 0.0522(18) Uani 1 1 d D . . . .
C18_1 C 1.0314(2) 0.3679(2) 0.95663(14) 0.0528(18) Uani 1 1 d . . . . .
H18_1 H 1.0168 0.3567 0.9475 0.063 Uiso 1 1 calc R U . . .
C19_1 C 1.0476(2) 0.40429(19) 0.94236(14) 0.0458(16) Uani 1 1 d . . . . .
H19_1 H 1.0460 0.4163 0.9233 0.055 Uiso 1 1 calc R U . . .
C20_1 C 1.0180(3) 0.3117(2) 0.99830(15) 0.059(2) Uani 1 1 d . . . . .
C21_1 C 1.0698(2) 0.5820(2) 0.95259(13) 0.0410(16) Uani 1 1 d . . . . .
C22_1 C 1.0558(2) 0.63062(19) 0.93740(13) 0.0420(15) Uani 1 1 d . . . . .
H22_1 H 1.0557 0.6374 0.9183 0.050 Uiso 1 1 calc R U . . .
C23_1 C 1.0417(2) 0.6699(2) 0.95008(14) 0.0472(17) Uani 1 1 d . . . . .
H23_1 H 1.0319 0.7032 0.9394 0.057 Uiso 1 1 calc R U . . .
C24_1 C 1.0417(2) 0.6610(2) 0.97840(14) 0.0401(15) Uani 1 1 d D . . . .
C25_1 C 1.0557(2) 0.6135(2) 0.99272(14) 0.0474(17) Uani 1 1 d . . . . .
H25_1 H 1.0554 0.6073 1.0118 0.057 Uiso 1 1 calc R U . . .
C26_1 C 1.0706(2) 0.5727(2) 0.98122(13) 0.0486(17) Uani 1 1 d . . . . .
H26_1 H 1.0809 0.5396 0.9922 0.058 Uiso 1 1 calc R U . . .
C27_1 C 1.0267(2) 0.7024(2) 0.98990(15) 0.0489(17) Uani 1 1 d . . . . .
O1_1 O 1.22295(15) 0.46339(14) 0.78273(8) 0.0473(11) Uani 1 1 d . . . . .
O2_1 O 1.25435(15) 0.50933(15) 0.78958(8) 0.0461(11) Uani 1 1 d . . . . .
H2A_1 H 1.2708 0.5030 0.7749 0.069 Uiso 1 1 calc DR U . . .
O3_1 O 1.0265(2) 0.29096(19) 1.02433(11) 0.0857(17) Uani 1 1 d . . . . .
H3A_1 H 1.0161 0.2693 1.0303 0.129 Uiso 1 1 calc DR U . . .
O4_1 O 0.99484(17) 0.30096(16) 0.98604(9) 0.0633(13) Uani 1 1 d . . . . .
O5_1 O 1.00749(15) 0.74870(14) 0.97653(9) 0.0549(12) Uani 1 1 d . . . . .
O6_1 O 1.03168(19) 0.69159(16) 1.01553(11) 0.0715(15) Uani 1 1 d . . . . .
H6A_1 H 1.0233 0.7181 1.0205 0.107 Uiso 1 1 calc DR U . . .
C1_2 C 0.9823(2) 0.5718(2) 0.89928(13) 0.0412(16) Uani 1 1 d . . . . .
C2_2 C 0.9689(2) 0.53419(19) 0.91336(13) 0.0422(16) Uani 1 1 d . . . . .
H2_2 H 0.9764 0.5077 0.9051 0.051 Uiso 1 1 calc R U . . .
C3_2 C 0.9447(2) 0.5340(2) 0.93944(12) 0.0420(16) Uani 1 1 d . . . . .
C4_2 C 0.9341(2) 0.5735(2) 0.95175(13) 0.0436(16) Uani 1 1 d . . . . .
H4_2 H 0.9193 0.5731 0.9698 0.052 Uiso 1 1 calc R U . . .
C5_2 C 0.9453(2) 0.6126(2) 0.93765(12) 0.0341(14) Uani 1 1 d . . . . .
C6_2 C 0.9688(2) 0.61195(18) 0.91201(12) 0.0334(14) Uani 1 1 d . . . . .
H6_2 H 0.9763 0.6389 0.9025 0.040 Uiso 1 1 calc R U . . .
C7_2 C 1.0084(2) 0.5718(2) 0.87216(12) 0.0385(15) Uani 1 1 d . . . . .
C8_2 C 1.0068(2) 0.5429(2) 0.85546(12) 0.0393(15) Uani 1 1 d . . . . .
H8_2 H 0.9881 0.5247 0.8622 0.047 Uiso 1 1 calc R U . . .
C9_2 C 1.0309(2) 0.5409(2) 0.83067(12) 0.0415(15) Uani 1 1 d . . . . .
H9_2 H 1.0291 0.5217 0.8201 0.050 Uiso 1 1 calc R U . . .
C10_2 C 1.0589(2) 0.5681(2) 0.82075(13) 0.0421(16) Uani 1 1 d D . . . .
C11_2 C 1.0612(2) 0.5961(2) 0.83575(14) 0.0476(17) Uani 1 1 d . . . . .
H11_2 H 1.0801 0.6141 0.8290 0.057 Uiso 1 1 calc R U . . .
C12_2 C 1.0347(2) 0.5977(2) 0.86156(12) 0.0392(15) Uani 1 1 d . . . . .
H12_2 H 1.0355 0.6178 0.8718 0.047 Uiso 1 1 calc R U . . .
C13_2 C 1.0873(2) 0.5652(3) 0.79347(13) 0.0453(17) Uani 1 1 d . . . . .
C14_2 C 0.9324(2) 0.4921(2) 0.95459(13) 0.0474(17) Uani 1 1 d . . . . .
C15_2 C 0.9333(2) 0.4751(2) 0.98273(12) 0.0443(16) Uani 1 1 d . . . . .
H15_2 H 0.9434 0.4890 0.9928 0.053 Uiso 1 1 calc R U . . .
C16_2 C 0.9193(2) 0.4379(2) 0.99539(13) 0.0454(16) Uani 1 1 d . . . . .
H16_2 H 0.9220 0.4243 1.0143 0.054 Uiso 1 1 calc R U . . .
C17_2 C 0.9011(2) 0.4198(2) 0.98085(14) 0.0501(18) Uani 1 1 d D . . . .
C18_2 C 0.9008(2) 0.4359(2) 0.95391(13) 0.0463(17) Uani 1 1 d . . . . .
H18_2 H 0.8913 0.4211 0.9441 0.056 Uiso 1 1 calc R U . . .
C19_2 C 0.9142(2) 0.4741(2) 0.93999(14) 0.0492(17) Uani 1 1 d . . . . .
H19_2 H 0.9109 0.4875 0.9211 0.059 Uiso 1 1 calc R U . . .
C20_2 C 0.8863(3) 0.3798(2) 0.99498(15) 0.0540(18) Uani 1 1 d . . . . .
C21_2 C 0.9318(2) 0.6551(2) 0.95014(13) 0.0376(15) Uani 1 1 d . . . . .
C22_2 C 0.9190(2) 0.7025(2) 0.93581(13) 0.0430(16) Uani 1 1 d . . . . .
H22_2 H 0.9201 0.7087 0.9167 0.052 Uiso 1 1 calc R U . . .
C23_2 C 0.9043(2) 0.7429(2) 0.94716(13) 0.0428(16) Uani 1 1 d . . . . .
H23_2 H 0.8924 0.7763 0.9365 0.051 Uiso 1 1 calc R U . . .
C24_2 C 0.9077(2) 0.7328(2) 0.97468(15) 0.0451(17) Uani 1 1 d D . . . .
C25_2 C 0.9216(2) 0.6840(2) 0.99076(14) 0.0481(17) Uani 1 1 d . . . . .
H25_2 H 0.9234 0.6769 1.0097 0.058 Uiso 1 1 calc R U . . .
C26_2 C 0.9324(2) 0.6474(2) 0.97783(13) 0.0456(16) Uani 1 1 d . . . . .
H26_2 H 0.9410 0.6143 0.9885 0.055 Uiso 1 1 calc R U . . .
C27_2 C 0.8925(2) 0.7753(2) 0.98823(15) 0.0433(17) Uani 1 1 d . . . . .
O1_2 O 1.08489(17) 0.53718(17) 0.78101(8) 0.0560(12) Uani 1 1 d . . . . .
H1A_2 H 1.0998 0.5398 0.7655 0.084 Uiso 1 1 calc DR U . . .
O2_2 O 1.11234(16) 0.58899(16) 0.78523(8) 0.0518(12) Uani 1 1 d . . . . .
O3_2 O 0.89119(17) 0.36290(16) 1.02079(9) 0.0593(13) Uani 1 1 d . . . . .
H3A_2 H 0.8828 0.3397 1.0267 0.089 Uiso 1 1 calc DR U . . .
O4_2 O 0.86771(17) 0.36549(15) 0.98233(9) 0.0558(12) Uani 1 1 d . . . . .
O5_2 O 0.87635(16) 0.81968(14) 0.97451(9) 0.0546(12) Uani 1 1 d . . . . .
O6_2 O 0.89889(18) 0.76175(15) 1.01405(10) 0.0614(13) Uani 1 1 d . . . . .
H6A_2 H 0.8876 0.7875 1.0203 0.092 Uiso 1 1 calc DR U . . .
C1_3 C 0.8464(2) 0.6511(2) 0.89412(13) 0.0409(16) Uani 1 1 d . . . . .
C2_3 C 0.8349(2) 0.61267(18) 0.90812(12) 0.0329(14) Uani 1 1 d . . . . .
H2_3 H 0.8448 0.5853 0.9000 0.040 Uiso 1 1 calc R U . . .
C3_3 C 0.8099(2) 0.6120(2) 0.93319(12) 0.0368(15) Uani 1 1 d . . . . .
C4_3 C 0.7971(2) 0.6507(2) 0.94609(12) 0.0447(16) Uani 1 1 d . . . . .
H4_3 H 0.7811 0.6497 0.9639 0.054 Uiso 1 1 calc R U . . .
C5_3 C 0.8079(2) 0.6905(2) 0.93266(12) 0.0350(14) Uani 1 1 d . . . . .
C6_3 C 0.8313(2) 0.6909(2) 0.90705(13) 0.0418(16) Uani 1 1 d . . . . .
H6_3 H 0.8375 0.7187 0.8977 0.050 Uiso 1 1 calc R U . . .
C7_3 C 0.8729(2) 0.6519(2) 0.86691(13) 0.0419(16) Uani 1 1 d . . . . .
C8_3 C 0.8708(2) 0.6250(2) 0.84951(12) 0.0414(16) Uani 1 1 d . . . . .
H8_3 H 0.8508 0.6080 0.8552 0.050 Uiso 1 1 calc R U . . .
C9_3 C 0.8977(3) 0.6234(2) 0.82444(12) 0.0491(17) Uani 1 1 d . . . . .
H9_3 H 0.8976 0.6036 0.8137 0.059 Uiso 1 1 calc R U . . .
C10_3 C 0.9245(2) 0.6500(2) 0.81499(13) 0.0446(16) Uani 1 1 d D . . . .
C11_3 C 0.9244(2) 0.6777(2) 0.83216(14) 0.0450(16) Uani 1 1 d . . . . .
H11_3 H 0.9429 0.6963 0.8260 0.054 Uiso 1 1 calc R U . . .
C12_3 C 0.8997(2) 0.6792(2) 0.85652(13) 0.0443(16) Uani 1 1 d . . . . .
H12_3 H 0.9004 0.6992 0.8670 0.053 Uiso 1 1 calc R U . . .
C13_3 C 0.9525(3) 0.6479(2) 0.78943(13) 0.0463(17) Uani 1 1 d . . . . .
C14_3 C 0.7972(2) 0.56950(19) 0.94768(13) 0.0387(15) Uani 1 1 d . . . . .
C15_3 C 0.7990(2) 0.5502(2) 0.97515(12) 0.0410(16) Uani 1 1 d . . . . .
H15_3 H 0.8085 0.5641 0.9856 0.049 Uiso 1 1 calc R U . . .
C16_3 C 0.7875(2) 0.5114(2) 0.98784(12) 0.0440(16) Uani 1 1 d . . . . .
H16_3 H 0.7910 0.4973 1.0066 0.053 Uiso 1 1 calc R U . . .
C17_3 C 0.7711(2) 0.4929(2) 0.97341(14) 0.0517(18) Uani 1 1 d D . . . .
C18_3 C 0.7675(2) 0.5124(2) 0.94537(14) 0.0509(18) Uani 1 1 d . . . . .
H18_3 H 0.7563 0.4994 0.9353 0.061 Uiso 1 1 calc R U . . .
C19_3 C 0.7805(2) 0.5504(2) 0.93285(13) 0.0429(16) Uani 1 1 d . . . . .
H19_3 H 0.7782 0.5638 0.9139 0.051 Uiso 1 1 calc R U . . .
C20_3 C 0.7565(3) 0.4521(2) 0.98734(16) 0.0570(19) Uani 1 1 d . . . . .
C21_3 C 0.7938(2) 0.7326(2) 0.94626(13) 0.0385(15) Uani 1 1 d . . . . .
C22_3 C 0.7779(2) 0.78150(19) 0.93070(13) 0.0424(16) Uani 1 1 d . . . . .
H22_3 H 0.7755 0.7885 0.9118 0.051 Uiso 1 1 calc R U . . .
C23_3 C 0.7653(2) 0.8211(2) 0.94374(13) 0.0484(17) Uani 1 1 d . . . . .
H23_3 H 0.7543 0.8548 0.9335 0.058 Uiso 1 1 calc R U . . .
C24_3 C 0.7688(2) 0.8107(2) 0.97035(14) 0.0442(16) Uani 1 1 d D . . . .
C25_3 C 0.7856(2) 0.7611(2) 0.98627(13) 0.0454(16) Uani 1 1 d . . . . .
H25_3 H 0.7878 0.7542 1.0051 0.054 Uiso 1 1 calc R U . . .
C26_3 C 0.7991(2) 0.7221(2) 0.97319(13) 0.0459(17) Uani 1 1 d . . . . .
H26_3 H 0.8119 0.6882 0.9832 0.055 Uiso 1 1 calc R U . . .
C27_3 C 0.7548(2) 0.8533(2) 0.98363(14) 0.0462(17) Uani 1 1 d . . . . .
O1_3 O 0.95077(19) 0.62229(18) 0.77464(9) 0.0598(13) Uani 1 1 d . . . . .
H2B_3 H 0.9791 0.5993 0.7719 0.090 Uiso 0.51(7) 1 calc R U P A 2
O2_3 O 0.97976(17) 0.67115(16) 0.78143(9) 0.0533(12) Uani 1 1 d . . . . .
H2A_3 H 0.9943 0.6663 0.7662 0.080 Uiso 0.49(7) 1 calc DR U P A 1
O3_3 O 0.76213(17) 0.43475(17) 1.01228(9) 0.0586(12) Uani 1 1 d . . . . .
H3A_3 H 0.7536 0.4116 1.0180 0.088 Uiso 1 1 calc DR U . . .
O4_3 O 0.73723(17) 0.43850(15) 0.97384(8) 0.0554(12) Uani 1 1 d . . . . .
O5_3 O 0.73785(16) 0.89630(14) 0.97058(9) 0.0560(12) Uani 1 1 d . . . . .
O6_3 O 0.76298(18) 0.84002(15) 1.00896(9) 0.0603(13) Uani 1 1 d . . . . .
H6A_3 H 0.7563 0.8655 1.0144 0.090 Uiso 1 1 calc DR U . . .
C1_4 C 0.7056(2) 0.7302(2) 0.89304(12) 0.0412(16) Uani 1 1 d . . . . .
C2_4 C 0.6966(2) 0.6894(2) 0.90554(12) 0.0362(15) Uani 1 1 d . . . . .
H2_4 H 0.7058 0.6638 0.8962 0.043 Uiso 1 1 calc R U . . .
C3_4 C 0.6745(2) 0.6858(2) 0.93107(12) 0.0355(15) Uani 1 1 d . . . . .
C4_4 C 0.6605(2) 0.72346(19) 0.94435(12) 0.0388(15) Uani 1 1 d . . . . .
H4_4 H 0.6455 0.7206 0.9623 0.047 Uiso 1 1 calc R U . . .
C5_4 C 0.6679(2) 0.7649(2) 0.93185(13) 0.0403(15) Uani 1 1 d . . . . .
C6_4 C 0.6885(2) 0.7692(2) 0.90576(12) 0.0395(15) Uani 1 1 d . . . . .
H6_4 H 0.6910 0.7992 0.8964 0.047 Uiso 1 1 calc R U . . .
C7_4 C 0.7329(2) 0.73342(19) 0.86445(12) 0.0373(15) Uani 1 1 d . . . . .
C8_4 C 0.7342(2) 0.7056(2) 0.84804(12) 0.0422(16) Uani 1 1 d . . . . .
H8_4 H 0.7180 0.6848 0.8545 0.051 Uiso 1 1 calc R U . . .
C9_4 C 0.7583(2) 0.7067(2) 0.82241(14) 0.0449(16) Uani 1 1 d . . . . .
H9_4 H 0.7571 0.6885 0.8111 0.054 Uiso 1 1 calc R U . . .
C10_4 C 0.7846(2) 0.7353(2) 0.81326(12) 0.0423(16) Uani 1 1 d D . . . .
C11_4 C 0.7833(2) 0.7633(2) 0.83084(12) 0.0412(16) Uani 1 1 d . . . . .
H11_4 H 0.8009 0.7828 0.8253 0.049 Uiso 1 1 calc R U . . .
C12_4 C 0.7573(2) 0.7627(2) 0.85542(12) 0.0434(16) Uani 1 1 d . . . . .
H12_4 H 0.7558 0.7827 0.8665 0.052 Uiso 1 1 calc R U . . .
C13_4 C 0.8138(2) 0.7340(2) 0.78715(13) 0.0445(16) Uani 1 1 d . . . . .
C14_4 C 0.6626(2) 0.6425(2) 0.94428(12) 0.0444(17) Uani 1 1 d . . . . .
C15_4 C 0.6656(2) 0.6217(2) 0.97164(13) 0.0438(16) Uani 1 1 d . . . . .
H15_4 H 0.6756 0.6350 0.9822 0.053 Uiso 1 1 calc R U . . .
C16_4 C 0.6547(2) 0.5822(2) 0.98415(13) 0.0467(17) Uani 1 1 d . . . . .
H16_4 H 0.6583 0.5674 1.0029 0.056 Uiso 1 1 calc R U . . .
C17_4 C 0.6379(2) 0.5646(2) 0.96834(13) 0.0469(17) Uani 1 1 d D . . . .
C18_4 C 0.6318(2) 0.5858(2) 0.94129(13) 0.0498(18) Uani 1 1 d . . . . .
H18_4 H 0.6191 0.5744 0.9311 0.060 Uiso 1 1 calc R U . . .
C19_4 C 0.6448(2) 0.6249(2) 0.92913(13) 0.0476(17) Uani 1 1 d . . . . .
H19_4 H 0.6415 0.6396 0.9104 0.057 Uiso 1 1 calc R U . . .
C20_4 C 0.6242(3) 0.5231(2) 0.98222(14) 0.0522(19) Uani 1 1 d . . . . .
C21_4 C 0.6528(2) 0.8064(2) 0.94681(13) 0.0402(15) Uani 1 1 d . . . . .
C22_4 C 0.6334(3) 0.8567(2) 0.93194(13) 0.0529(18) Uani 1 1 d . . . . .
H22_4 H 0.6278 0.8651 0.9134 0.063 Uiso 1 1 calc R U . . .
C23_4 C 0.6226(3) 0.8937(2) 0.94557(16) 0.068(2) Uani 1 1 d . . . . .
H23_4 H 0.6103 0.9279 0.9359 0.081 Uiso 1 1 calc R U . . .
C24_4 C 0.6293(3) 0.8823(2) 0.97297(13) 0.0479(17) Uani 1 1 d D . . . .
C25_4 C 0.6471(2) 0.8333(2) 0.98603(13) 0.0437(16) Uani 1 1 d . . . . .
H25_4 H 0.6521 0.8243 1.0047 0.052 Uiso 1 1 calc R U . . .
C26_4 C 0.6580(2) 0.7960(2) 0.97311(12) 0.0394(15) Uani 1 1 d . . . . .
H26_4 H 0.6696 0.7621 0.9831 0.047 Uiso 1 1 calc R U . . .
C27_4 C 0.6185(3) 0.9219(2) 0.98616(16) 0.0569(19) Uani 1 1 d . . . . .
O1_4 O 0.81213(17) 0.70667(17) 0.77287(8) 0.0542(12) Uani 1 1 d . . . . .
H1A_4 H 0.8268 0.7111 0.7575 0.081 Uiso 1 1 calc DR U . . .
O2_4 O 0.83915(16) 0.75721(15) 0.77972(9) 0.0525(12) Uani 1 1 d . . . . .
O3_4 O 0.63358(18) 0.50102(16) 1.00596(9) 0.0590(13) Uani 1 1 d . . . . .
H3A_4 H 0.6208 0.4812 1.0117 0.089 Uiso 1 1 calc DR U . . .
O4_4 O 0.60112(18) 0.51241(17) 0.96947(10) 0.0670(14) Uani 1 1 d . . . . .
O5_4 O 0.5990(2) 0.96760(16) 0.97263(10) 0.0776(16) Uani 1 1 d . . . . .
O6_4 O 0.62731(18) 0.90895(15) 1.01114(10) 0.0606(13) Uani 1 1 d . . . . .
H6A_4 H 0.6228 0.9342 1.0161 0.091 Uiso 1 1 calc DR U . . .
C1_5 C 0.6074(2) 0.8021(2) 0.84321(12) 0.0363(15) Uani 1 1 d . . . . .
C2_5 C 0.6151(2) 0.7660(2) 0.83001(13) 0.0396(15) Uani 1 1 d . . . . .
H2_5 H 0.6021 0.7428 0.8382 0.047 Uiso 1 1 calc R U . . .
C3_5 C 0.6416(2) 0.7635(2) 0.80497(13) 0.0410(15) Uani 1 1 d . . . . .
C4_5 C 0.6574(2) 0.7991(2) 0.79215(14) 0.0473(17) Uani 1 1 d . . . . .
H4_5 H 0.6730 0.7991 0.7743 0.057 Uiso 1 1 calc R U . . .
C5_5 C 0.6509(2) 0.8358(2) 0.80522(13) 0.0427(16) Uani 1 1 d . . . . .
C6_5 C 0.6262(2) 0.8359(2) 0.83080(12) 0.0444(16) Uani 1 1 d . . . . .
H6_5 H 0.6221 0.8599 0.8401 0.053 Uiso 1 1 calc R U . . .
C7_5 C 0.5817(2) 0.8016(2) 0.87104(13) 0.0411(16) Uani 1 1 d . . . . .
C8_5 C 0.5795(2) 0.7594(2) 0.88743(14) 0.0493(17) Uani 1 1 d . . . . .
H8_5 H 0.5937 0.7299 0.8806 0.059 Uiso 1 1 calc R U . . .
C9_5 C 0.5577(2) 0.7577(2) 0.91329(14) 0.0474(17) Uani 1 1 d . . . . .
H9_5 H 0.5603 0.7268 0.9250 0.057 Uiso 1 1 calc R U . . .
C10_5 C 0.5315(3) 0.8027(2) 0.92207(13) 0.0487(18) Uani 1 1 d D . . . .
C11_5 C 0.5314(3) 0.8461(2) 0.90720(14) 0.0544(19) Uani 1 1 d . . . . .
H11_5 H 0.5154 0.8757 0.9142 0.065 Uiso 1 1 calc R U . . .
C12_5 C 0.5560(3) 0.8465(2) 0.88079(14) 0.0562(19) Uani 1 1 d . . . . .
H12_5 H 0.5553 0.8771 0.8696 0.067 Uiso 1 1 calc R U . . .
C13_5 C 0.5045(2) 0.8017(2) 0.95070(14) 0.0430(16) Uani 1 1 d . . . . .
C14_5 C 0.6531(2) 0.7210(2) 0.79167(13) 0.0427(16) Uani 1 1 d . . . . .
C15_5 C 0.6538(2) 0.7296(2) 0.76375(13) 0.0466(17) Uani 1 1 d . . . . .
H15_5 H 0.6474 0.7621 0.7527 0.056 Uiso 1 1 calc R U . . .
C16_5 C 0.6641(2) 0.6902(2) 0.75190(13) 0.0444(16) Uani 1 1 d . . . . .
H16_5 H 0.6620 0.6960 0.7331 0.053 Uiso 1 1 calc R U . . .
C17_5 C 0.6775(2) 0.6425(2) 0.76864(12) 0.0391(15) Uani 1 1 d D . . . .
C18_5 C 0.6775(3) 0.6336(2) 0.79589(13) 0.0531(19) Uani 1 1 d . . . . .
H18_5 H 0.6858 0.6007 0.8068 0.064 Uiso 1 1 calc R U . . .
C19_5 C 0.6653(2) 0.6731(2) 0.80767(13) 0.0428(16) Uani 1 1 d . . . . .
H19_5 H 0.6654 0.6673 0.8267 0.051 Uiso 1 1 calc R U . . .
C20_5 C 0.6895(3) 0.6012(2) 0.75477(15) 0.0522(18) Uani 1 1 d . . . . .
C21_5 C 0.6714(2) 0.8724(2) 0.79163(12) 0.0374(15) Uani 1 1 d . . . . .
C22_5 C 0.6881(2) 0.8893(2) 0.80664(13) 0.0462(16) Uani 1 1 d . . . . .
H22_5 H 0.6897 0.8753 0.8255 0.055 Uiso 1 1 calc R U . . .
C23_5 C 0.7028(2) 0.9273(2) 0.79464(12) 0.0425(15) Uani 1 1 d . . . . .
H23_5 H 0.7139 0.9393 0.8054 0.051 Uiso 1 1 calc R U . . .
C24_5 C 0.7010(2) 0.9472(2) 0.76699(12) 0.0412(16) Uani 1 1 d D . . . .
C25_5 C 0.6845(2) 0.9291(2) 0.75157(12) 0.0451(17) Uani 1 1 d . . . . .
H25_5 H 0.6837 0.9424 0.7326 0.054 Uiso 1 1 calc R U . . .
C26_5 C 0.6693(2) 0.8928(2) 0.76317(12) 0.0397(15) Uani 1 1 d . . . . .
H26_5 H 0.6576 0.8813 0.7525 0.048 Uiso 1 1 calc R U . . .
C27_5 C 0.7170(2) 0.9872(2) 0.75333(15) 0.0493(17) Uani 1 1 d . . . . .
O1_5 O 0.50979(18) 0.75831(16) 0.96459(9) 0.0630(14) Uani 1 1 d . . . . .
O2_5 O 0.48033(17) 0.84101(15) 0.95797(8) 0.0528(12) Uani 1 1 d . . . . .
H2A_5 H 0.4675 0.8355 0.9738 0.079 Uiso 1 1 calc DR U . . .
O3_5 O 0.68262(17) 0.61291(14) 0.73041(9) 0.0517(12) Uani 1 1 d . . . . .
H3A_5 H 0.6865 0.5877 0.7257 0.078 Uiso 1 1 calc DR U . . .
O4_5 O 0.7057(2) 0.55586(16) 0.76972(10) 0.0737(15) Uani 1 1 d . . . . .
O5_5 O 0.73522(18) 0.99968(17) 0.76836(9) 0.0633(13) Uani 1 1 d . . . . .
O6_5 O 0.71060(18) 1.00719(16) 0.72840(9) 0.0567(12) Uani 1 1 d . . . . .
H6A_5 H 0.7215 1.0285 0.7230 0.085 Uiso 1 1 calc DR U . . .
C1_6 C 0.4706(2) 0.8703(2) 0.83703(12) 0.0365(14) Uani 1 1 d . . . . .
C2_6 C 0.4805(2) 0.83351(19) 0.82333(11) 0.0329(14) Uani 1 1 d . . . . .
H2_6 H 0.4700 0.8083 0.8316 0.040 Uiso 1 1 calc R U . . .
C3_6 C 0.5055(2) 0.83383(18) 0.79789(12) 0.0339(14) Uani 1 1 d . . . . .
C4_6 C 0.5228(2) 0.86959(19) 0.78594(12) 0.0395(15) Uani 1 1 d . . . . .
H4_6 H 0.5417 0.8685 0.7690 0.047 Uiso 1 1 calc R U . . .
C5_6 C 0.5117(2) 0.9075(2) 0.79944(13) 0.0416(15) Uani 1 1 d . . . . .
C6_6 C 0.4871(2) 0.90659(19) 0.82570(11) 0.0336(14) Uani 1 1 d . . . . .
H6_6 H 0.4819 0.9303 0.8354 0.040 Uiso 1 1 calc R U . . .
C7_6 C 0.4447(2) 0.8681(2) 0.86465(12) 0.0363(15) Uani 1 1 d . . . . .
C8_6 C 0.4454(2) 0.8239(2) 0.88102(12) 0.0438(16) Uani 1 1 d . . . . .
H8_6 H 0.4628 0.7939 0.8745 0.053 Uiso 1 1 calc R U . . .
C9_6 C 0.4217(2) 0.8226(2) 0.90638(13) 0.0440(16) Uani 1 1 d . . . . .
H9_6 H 0.4235 0.7915 0.9173 0.053 Uiso 1 1 calc R U . . .
C10_6 C 0.3948(2) 0.8659(2) 0.91675(14) 0.0441(16) Uani 1 1 d D . . . .
C11_6 C 0.3943(2) 0.9097(2) 0.90107(13) 0.0468(17) Uani 1 1 d . . . . .
H11_6 H 0.3783 0.9389 0.9083 0.056 Uiso 1 1 calc R U . . .
C12_6 C 0.4166(2) 0.9129(2) 0.87489(12) 0.0444(16) Uani 1 1 d . . . . .
H12_6 H 0.4133 0.9445 0.8638 0.053 Uiso 1 1 calc R U . . .
C13_6 C 0.3676(2) 0.8646(2) 0.94403(13) 0.0415(16) Uani 1 1 d . . . . .
C14_6 C 0.5185(2) 0.7920(2) 0.78428(13) 0.0423(16) Uani 1 1 d . . . . .
C15_6 C 0.5183(2) 0.8022(2) 0.75601(12) 0.0375(14) Uani 1 1 d . . . . .
H15_6 H 0.5092 0.8354 0.7454 0.045 Uiso 1 1 calc R U . . .
C16_6 C 0.5319(2) 0.7626(2) 0.74393(13) 0.0408(15) Uani 1 1 d . . . . .
H16_6 H 0.5324 0.7689 0.7248 0.049 Uiso 1 1 calc R U . . .
C17_6 C 0.5443(2) 0.71507(19) 0.75921(13) 0.0349(14) Uani 1 1 d D . . . .
C18_6 C 0.5435(2) 0.7057(2) 0.78677(12) 0.0393(15) Uani 1 1 d . . . . .
H18_6 H 0.5518 0.6726 0.7974 0.047 Uiso 1 1 calc R U . . .
C19_6 C 0.5305(2) 0.7442(2) 0.79912(12) 0.0383(15) Uani 1 1 d . . . . .
H19_6 H 0.5300 0.7374 0.8182 0.046 Uiso 1 1 calc R U . . .
C20_6 C 0.5597(2) 0.6722(2) 0.74638(15) 0.0507(18) Uani 1 1 d . . . . .
C21_6 C 0.5300(2) 0.94516(19) 0.78677(12) 0.0359(14) Uani 1 1 d . . . . .
C22_6 C 0.5488(2) 0.96229(19) 0.80203(12) 0.0345(14) Uani 1 1 d . . . . .
H22_6 H 0.5505 0.9483 0.8209 0.041 Uiso 1 1 calc R U . . .
C23_6 C 0.5645(2) 0.9987(2) 0.79020(12) 0.0395(15) Uani 1 1 d . . . . .
H23_6 H 0.5765 1.0099 0.8009 0.047 Uiso 1 1 calc R U . . .
C24_6 C 0.5628(2) 1.0186(2) 0.76259(13) 0.0462(16) Uani 1 1 d D . . . .
C25_6 C 0.5441(2) 1.0022(2) 0.74643(12) 0.0411(15) Uani 1 1 d . . . . .
H25_6 H 0.5424 1.0162 0.7275 0.049 Uiso 1 1 calc R U . . .
C26_6 C 0.5287(2) 0.9660(2) 0.75883(11) 0.0389(15) Uani 1 1 d . . . . .
H26_6 H 0.5168 0.9547 0.7482 0.047 Uiso 1 1 calc R U . . .
C27_6 C 0.5795(3) 1.0564(2) 0.74927(14) 0.0535(18) Uani 1 1 d . . . . .
O1_6 O 0.37329(18) 0.82154(16) 0.95804(8) 0.0619(13) Uani 1 1 d . . . . .
O2_6 O 0.34133(18) 0.90466(16) 0.95161(9) 0.0589(13) Uani 1 1 d . . . . .
H2A_6 H 0.3283 0.8986 0.9673 0.088 Uiso 1 1 calc DR U . . .
O3_6 O 0.55801(18) 0.68487(15) 0.71962(10) 0.0633(13) Uani 1 1 d . . . . .
H3A_6 H 0.5665 0.6591 0.7139 0.095 Uiso 1 1 calc DR U . . .
O4_6 O 0.57280(17) 0.62922(14) 0.76017(9) 0.0576(13) Uani 1 1 d . . . . .
O5_6 O 0.59780(16) 1.07039(14) 0.76294(8) 0.0513(11) Uani 1 1 d . . . . .
O6_6 O 0.57489(18) 1.07481(16) 0.72342(9) 0.0585(13) Uani 1 1 d . . . . .
H6A_6 H 0.5869 1.0952 0.7178 0.088 Uiso 1 1 calc DR U . . .
C1_7 C 0.3324(2) 0.9391(2) 0.82916(12) 0.0373(15) Uani 1 1 d . . . . .
C2_7 C 0.3436(2) 0.9036(2) 0.81468(13) 0.0433(16) Uani 1 1 d . . . . .
H2_7 H 0.3344 0.8773 0.8225 0.052 Uiso 1 1 calc R U . . .
C3_7 C 0.3681(2) 0.90568(19) 0.78873(12) 0.0348(14) Uani 1 1 d . . . . .
C4_7 C 0.3831(2) 0.9426(2) 0.77774(13) 0.0422(16) Uani 1 1 d . . . . .
H4_7 H 0.4009 0.9432 0.7604 0.051 Uiso 1 1 calc R U . . .
C5_7 C 0.3727(2) 0.9794(2) 0.79164(13) 0.0422(15) Uani 1 1 d . . . . .
C6_7 C 0.3474(2) 0.97684(19) 0.81692(12) 0.0389(15) Uani 1 1 d . . . . .
H6_7 H 0.3399 1.0017 0.8264 0.047 Uiso 1 1 calc R U . . .
C7_7 C 0.3064(2) 0.9365(2) 0.85574(12) 0.0387(15) Uani 1 1 d . . . . .
C8_7 C 0.3100(2) 0.8896(2) 0.87277(13) 0.0433(16) Uani 1 1 d . . . . .
H8_7 H 0.3292 0.8596 0.8663 0.052 Uiso 1 1 calc R U . . .
C9_7 C 0.2860(2) 0.8873(2) 0.89852(13) 0.0469(17) Uani 1 1 d . . . . .
H9_7 H 0.2889 0.8558 0.9095 0.056 Uiso 1 1 calc R U . . .
C10_7 C 0.2577(2) 0.9305(2) 0.90833(13) 0.0464(17) Uani 1 1 d D . . . .
C11_7 C 0.2529(2) 0.9773(2) 0.89234(14) 0.0556(18) Uani 1 1 d . . . . .
H11_7 H 0.2333 1.0068 0.8992 0.067 Uiso 1 1 calc R U . . .
C12_7 C 0.2769(2) 0.9806(2) 0.86618(13) 0.0494(17) Uani 1 1 d . . . . .
H12_7 H 0.2735 1.0124 0.8554 0.059 Uiso 1 1 calc R U . . .
C13_7 C 0.2317(3) 0.9283(2) 0.93644(14) 0.0484(17) Uani 1 1 d . . . . .
C14_7 C 0.3817(2) 0.8651(2) 0.77399(13) 0.0437(16) Uani 1 1 d . . . . .
C15_7 C 0.3813(2) 0.8761(2) 0.74596(13) 0.0455(16) Uani 1 1 d . . . . .
H15_7 H 0.3711 0.9098 0.7357 0.055 Uiso 1 1 calc R U . . .
C16_7 C 0.3957(2) 0.8385(2) 0.73371(13) 0.0531(18) Uani 1 1 d . . . . .
H16_7 H 0.3946 0.8467 0.7147 0.064 Uiso 1 1 calc R U . . .
C17_7 C 0.4120(2) 0.7886(2) 0.74711(14) 0.0428(16) Uani 1 1 d D . . . .
C18_7 C 0.4118(2) 0.7781(2) 0.77541(14) 0.0483(17) Uani 1 1 d . . . . .
H18_7 H 0.4216 0.7444 0.7854 0.058 Uiso 1 1 calc R U . . .
C19_7 C 0.3976(2) 0.8157(2) 0.78914(14) 0.0483(17) Uani 1 1 d . . . . .
H19_7 H 0.3987 0.8080 0.8082 0.058 Uiso 1 1 calc R U . . .
C20_7 C 0.4296(2) 0.7466(2) 0.73440(16) 0.0515(18) Uani 1 1 d . . . . .
C21_7 C 0.3906(2) 1.0174(2) 0.77981(13) 0.0418(16) Uani 1 1 d . . . . .
C22_7 C 0.4070(2) 1.03510(19) 0.79449(12) 0.0396(15) Uani 1 1 d . . . . .
H22_7 H 0.4059 1.0232 0.8136 0.047 Uiso 1 1 calc R U . . .
C23_7 C 0.4254(2) 1.07005(19) 0.78274(13) 0.0423(15) Uani 1 1 d . . . . .
H23_7 H 0.4385 1.0799 0.7935 0.051 Uiso 1 1 calc R U . . .
C24_7 C 0.4241(2) 1.0898(2) 0.75551(13) 0.0453(16) Uani 1 1 d D . . . .
C25_7 C 0.4062(3) 1.0735(2) 0.73990(15) 0.0568(19) Uani 1 1 d . . . . .
H25_7 H 0.4053 1.0869 0.7209 0.068 Uiso 1 1 calc R U . . .
C26_7 C 0.3901(2) 1.0384(2) 0.75184(13) 0.0483(17) Uani 1 1 d . . . . .
H26_7 H 0.3781 1.0277 0.7409 0.058 Uiso 1 1 calc R U . . .
C27_7 C 0.4437(3) 1.1261(2) 0.74328(15) 0.063(2) Uani 1 1 d . . . . .
O1_7 O 0.24104(17) 0.88347(15) 0.95028(8) 0.0563(12) Uani 1 1 d . . . . .
O2_7 O 0.20377(17) 0.96745(16) 0.94387(9) 0.0594(13) Uani 1 1 d . . . . .
H2A_7 H 0.1880 0.9611 0.9585 0.089 Uiso 1 1 calc DR U . . .
O3_7 O 0.42987(19) 0.75888(16) 0.70787(10) 0.0732(15) Uani 1 1 d . . . . .
H3A_7 H 0.4468 0.7328 0.7017 0.110 Uiso 1 1 calc DR U . . .
O4_7 O 0.44624(17) 0.70191(15) 0.74807(9) 0.0567(12) Uani 1 1 d . . . . .
O5_7 O 0.46428(17) 1.13801(15) 0.75581(8) 0.0573(12) Uani 1 1 d . . . . .
O6_7 O 0.4403(2) 1.14366(18) 0.71650(10) 0.0785(16) Uani 1 1 d . . . . .
H6A_7 H 0.4515 1.1647 0.7108 0.118 Uiso 1 1 calc DR U . . .
C1_8 C 0.6411(2) 0.83092(19) 0.69317(11) 0.0326(14) Uani 1 1 d . . . . .
C2_8 C 0.6686(2) 0.77912(19) 0.69300(10) 0.0303(13) Uani 1 1 d . . . . .
H2_8 H 0.6519 0.7613 0.6917 0.036 Uiso 1 1 calc R U . . .
C3_8 C 0.7184(2) 0.7539(2) 0.69464(11) 0.0331(14) Uani 1 1 d . . . . .
C4_8 C 0.7442(2) 0.7791(2) 0.69668(11) 0.0383(15) Uani 1 1 d . . . . .
H4_8 H 0.7787 0.7616 0.6982 0.046 Uiso 1 1 calc R U . . .
C5_8 C 0.7177(2) 0.8308(2) 0.69642(11) 0.0357(14) Uani 1 1 d . . . . .
C6_8 C 0.6676(2) 0.8547(2) 0.69450(12) 0.0390(15) Uani 1 1 d . . . . .
H6_8 H 0.6504 0.8897 0.6941 0.047 Uiso 1 1 calc R U . . .
C7_8 C 0.5862(2) 0.85747(19) 0.69282(11) 0.0322(14) Uani 1 1 d . . . . .
C8_8 C 0.5634(2) 0.8408(2) 0.68077(11) 0.0368(15) Uani 1 1 d . . . . .
H8_8 H 0.5820 0.8114 0.6737 0.044 Uiso 1 1 calc R U . . .
C9_8 C 0.5127(2) 0.8678(2) 0.67913(11) 0.0350(14) Uani 1 1 d . . . . .
H9_8 H 0.4970 0.8565 0.6708 0.042 Uiso 1 1 calc R U . . .
C10_8 C 0.4846(2) 0.9106(2) 0.68916(11) 0.0324(14) Uani 1 1 d D . . . .
C11_8 C 0.5079(2) 0.9276(2) 0.70125(12) 0.0474(17) Uani 1 1 d . . . . .
H11_8 H 0.4895 0.9574 0.7079 0.057 Uiso 1 1 calc R U . . .
C12_8 C 0.5587(2) 0.89995(19) 0.70327(11) 0.0345(14) Uani 1 1 d . . . . .
H12_8 H 0.5746 0.9105 0.7120 0.041 Uiso 1 1 calc R U . . .
C13_8 C 0.4317(2) 0.9394(2) 0.68808(12) 0.0394(15) Uani 1 1 d . . . . .
C14_8 C 0.7471(2) 0.6999(2) 0.69412(12) 0.0381(15) Uani 1 1 d . . . . .
C15_8 C 0.7878(2) 0.6676(2) 0.70918(14) 0.0460(17) Uani 1 1 d . . . . .
H15_8 H 0.7971 0.6799 0.7205 0.055 Uiso 1 1 calc R U . . .
C16_8 C 0.8142(2) 0.6182(2) 0.70761(13) 0.0420(16) Uani 1 1 d . . . . .
H16_8 H 0.8426 0.5972 0.7174 0.050 Uiso 1 1 calc R U . . .
C17_8 C 0.8010(2) 0.5982(2) 0.69245(13) 0.0456(17) Uani 1 1 d D . . . .
C18_8 C 0.7598(2) 0.6300(2) 0.67739(14) 0.0497(18) Uani 1 1 d . . . . .
H18_8 H 0.7509 0.6169 0.6662 0.060 Uiso 1 1 calc R U . . .
C19_8 C 0.7323(2) 0.67945(19) 0.67854(12) 0.0348(14) Uani 1 1 d . . . . .
H19_8 H 0.7036 0.7000 0.6690 0.042 Uiso 1 1 calc R U . . .
C20_8 C 0.8323(2) 0.5461(2) 0.68931(15) 0.0466(17) Uani 1 1 d . . . . .
C21_8 C 0.7442(2) 0.8599(2) 0.69708(13) 0.0423(16) Uani 1 1 d . . . . .
C22_8 C 0.7304(2) 0.9090(2) 0.68057(12) 0.0444(16) Uani 1 1 d . . . . .
H22_8 H 0.7036 0.9246 0.6697 0.053 Uiso 1 1 calc R U . . .
C23_8 C 0.7567(2) 0.9336(2) 0.68064(12) 0.0396(15) Uani 1 1 d . . . . .
H23_8 H 0.7489 0.9659 0.6690 0.047 Uiso 1 1 calc R U . . .
C24_8 C 0.7935(2) 0.9129(2) 0.69699(13) 0.0464(17) Uani 1 1 d D . . . .
C25_8 C 0.8083(2) 0.8649(2) 0.71314(13) 0.0469(17) Uani 1 1 d . . . . .
H25_8 H 0.8352 0.8498 0.7239 0.056 Uiso 1 1 calc R U . . .
C26_8 C 0.7813(2) 0.8396(2) 0.71283(13) 0.0408(15) Uani 1 1 d . . . . .
H26_8 H 0.7898 0.8070 0.7242 0.049 Uiso 1 1 calc R U . . .
C27_8 C 0.8222(3) 0.9407(2) 0.69737(15) 0.0548(19) Uani 1 1 d . . . . .
O1_8 O 0.41162(14) 0.92341(13) 0.67522(8) 0.0423(10) Uani 1 1 d . . . . .
H1A_8 H 0.3809 0.9409 0.6762 0.063 Uiso 1 1 calc DR U . . .
O2_8 O 0.40600(14) 0.97670(14) 0.69855(8) 0.0441(10) Uani 1 1 d . . . . .
O3_8 O 0.86723(17) 0.51732(15) 0.70424(10) 0.0616(13) Uani 1 1 d . . . . .
O4_8 O 0.82052(14) 0.53120(14) 0.67253(10) 0.0560(13) Uani 1 1 d . . . . .
H4A_8 H 0.8323 0.4997 0.6768 0.084 Uiso 1 1 calc DR U . . .
O5_8 O 0.81039(16) 0.98361(15) 0.67925(9) 0.0509(11) Uani 1 1 d . . . . .
O6_8 O 0.8538(2) 0.92252(19) 0.71380(11) 0.0803(17) Uani 1 1 d . . . . .
H6A_8 H 0.8674 0.9412 0.7111 0.120 Uiso 1 1 calc DR U . . .
C1_9 C 0.7000(2) 0.8388(2) 0.62112(11) 0.0374(15) Uani 1 1 d . . . . .
C2_9 C 0.7255(2) 0.7871(2) 0.62209(11) 0.0351(14) Uani 1 1 d . . . . .
H2_9 H 0.7077 0.7697 0.6219 0.042 Uiso 1 1 calc R U . . .
C3_9 C 0.7783(2) 0.7596(2) 0.62330(11) 0.0388(15) Uani 1 1 d . . . . .
C4_9 C 0.8021(2) 0.7864(2) 0.62379(12) 0.0397(15) Uani 1 1 d . . . . .
H4_9 H 0.8369 0.7698 0.6241 0.048 Uiso 1 1 calc R U . . .
C5_9 C 0.7767(2) 0.8373(2) 0.62387(12) 0.0382(15) Uani 1 1 d . . . . .
C6_9 C 0.7275(2) 0.8624(2) 0.62216(12) 0.0395(15) Uani 1 1 d . . . . .
H6_9 H 0.7110 0.8974 0.6217 0.047 Uiso 1 1 calc R U . . .
C7_9 C 0.6470(2) 0.8661(2) 0.61989(12) 0.0347(14) Uani 1 1 d . . . . .
C8_9 C 0.6213(2) 0.8485(2) 0.60929(11) 0.0361(14) Uani 1 1 d . . . . .
H8_9 H 0.6391 0.8179 0.6034 0.043 Uiso 1 1 calc R U . . .
C9_9 C 0.5714(2) 0.8751(2) 0.60750(11) 0.0394(15) Uani 1 1 d . . . . .
H9_9 H 0.5552 0.8628 0.6003 0.047 Uiso 1 1 calc R U . . .
C10_9 C 0.5437(2) 0.9210(2) 0.61625(11) 0.0357(14) Uani 1 1 d D . . . .
C11_9 C 0.5689(2) 0.9383(2) 0.62715(11) 0.0365(14) Uani 1 1 d . . . . .
H11_9 H 0.5513 0.9687 0.6334 0.044 Uiso 1 1 calc R U . . .
C12_9 C 0.6184(2) 0.91112(19) 0.62859(12) 0.0396(15) Uani 1 1 d . . . . .
H12_9 H 0.6345 0.9234 0.6359 0.047 Uiso 1 1 calc R U . . .
C13_9 C 0.4905(3) 0.9492(3) 0.61554(12) 0.0431(16) Uani 1 1 d . . . . .
C14_9 C 0.8049(2) 0.7066(2) 0.62240(12) 0.0418(16) Uani 1 1 d . . . . .
C15_9 C 0.8451(2) 0.6733(2) 0.63702(12) 0.0378(15) Uani 1 1 d . . . . .
H15_9 H 0.8548 0.6859 0.6481 0.045 Uiso 1 1 calc R U . . .
C16_9 C 0.8720(2) 0.6232(2) 0.63655(13) 0.0491(17) Uani 1 1 d . . . . .
H16_9 H 0.8996 0.6021 0.6469 0.059 Uiso 1 1 calc R U . . .
C17_9 C 0.8580(3) 0.6039(2) 0.62061(13) 0.0464(17) Uani 1 1 d D . . . .
C18_9 C 0.8156(2) 0.6350(2) 0.60780(13) 0.0470(17) Uani 1 1 d . . . . .
H18_9 H 0.8038 0.6210 0.5987 0.056 Uiso 1 1 calc R U . . .
C19_9 C 0.7886(2) 0.6867(2) 0.60747(12) 0.0392(15) Uani 1 1 d . . . . .
H19_9 H 0.7604 0.7076 0.5976 0.047 Uiso 1 1 calc R U . . .
C20_9 C 0.8859(3) 0.5505(2) 0.61902(15) 0.0522(18) Uani 1 1 d . . . . .
C21_9 C 0.8056(2) 0.8642(2) 0.62413(12) 0.0355(14) Uani 1 1 d . . . . .
C22_9 C 0.7903(2) 0.9148(2) 0.60877(12) 0.0412(15) Uani 1 1 d . . . . .
H22_9 H 0.7634 0.9308 0.5979 0.049 Uiso 1 1 calc R U . . .
C23_9 C 0.8162(2) 0.9405(2) 0.61015(13) 0.0488(17) Uani 1 1 d . . . . .
H23_9 H 0.8064 0.9742 0.6001 0.059 Uiso 1 1 calc R U . . .
C24_9 C 0.8562(2) 0.9176(2) 0.62593(12) 0.0390(15) Uani 1 1 d D . . . .
C25_9 C 0.8687(2) 0.8696(2) 0.64094(13) 0.0454(17) Uani 1 1 d . . . . .
H25_9 H 0.8940 0.8545 0.6529 0.054 Uiso 1 1 calc R U . . .
C26_9 C 0.8457(2) 0.8430(2) 0.63916(12) 0.0455(17) Uani 1 1 d . . . . .
H26_9 H 0.8577 0.8087 0.6485 0.055 Uiso 1 1 calc R U . . .
C27_9 C 0.8808(3) 0.9468(2) 0.62501(13) 0.0435(16) Uani 1 1 d . . . . .
O1_9 O 0.47081(15) 0.93181(17) 0.60475(9) 0.0543(12) Uani 1 1 d . . . . .
H1A_9 H 0.4416 0.9401 0.6114 0.081 Uiso 1 1 calc DR U . . .
O2_9 O 0.46732(15) 0.98799(16) 0.62437(9) 0.0548(12) Uani 1 1 d . . . . .
O3_9 O 0.92332(18) 0.52373(15) 0.63282(10) 0.0612(13) Uani 1 1 d . . . . .
H3A_9 H 0.9378 0.4945 0.6301 0.092 Uiso 1 1 calc DR U . . .
O4_9 O 0.87185(16) 0.53425(14) 0.60522(10) 0.0570(13) Uani 1 1 d . . . . .
O5_9 O 0.86870(16) 0.98904(15) 0.61110(9) 0.0578(13) Uani 1 1 d . . . . .
O6_9 O 0.91450(17) 0.92623(15) 0.64208(10) 0.0577(13) Uani 1 1 d . . . . .
H6A_9 H 0.9256 0.9464 0.6413 0.087 Uiso 1 1 calc DR U . . .
C1_10 C 0.7617(2) 0.8435(2) 0.54923(11) 0.0373(15) Uani 1 1 d . . . . .
C2_10 C 0.7847(2) 0.7931(2) 0.55058(12) 0.0415(15) Uani 1 1 d . . . . .
H2_10 H 0.7658 0.7767 0.5505 0.050 Uiso 1 1 calc R U . . .
C3_10 C 0.8350(3) 0.7653(2) 0.55204(13) 0.0510(18) Uani 1 1 d . . . . .
C4_10 C 0.8618(2) 0.7895(2) 0.55257(11) 0.0396(15) Uani 1 1 d . . . . .
H4_10 H 0.8963 0.7708 0.5540 0.047 Uiso 1 1 calc R U . . .
C5_10 C 0.8393(3) 0.8403(2) 0.55103(12) 0.0422(16) Uani 1 1 d . . . . .
C6_10 C 0.7890(3) 0.8674(2) 0.54967(12) 0.0461(17) Uani 1 1 d . . . . .
H6_10 H 0.7731 0.9025 0.5490 0.055 Uiso 1 1 calc R U . . .
C7_10 C 0.7070(2) 0.8731(2) 0.54718(12) 0.0404(15) Uani 1 1 d . . . . .
C8_10 C 0.6815(2) 0.8564(2) 0.53742(12) 0.0453(16) Uani 1 1 d . . . . .
H8_10 H 0.6990 0.8262 0.5310 0.054 Uiso 1 1 calc R U . . .
C9_10 C 0.6311(2) 0.8823(2) 0.53670(13) 0.0505(18) Uani 1 1 d . . . . .
H9_10 H 0.6142 0.8684 0.5314 0.061 Uiso 1 1 calc R U . . .
C10_10 C 0.6052(2) 0.9283(2) 0.54364(12) 0.0413(15) Uani 1 1 d D . . . .
C11_10 C 0.6299(3) 0.9468(2) 0.55359(14) 0.0562(19) Uani 1 1 d . . . . .
H11_10 H 0.6122 0.9778 0.5592 0.067 Uiso 1 1 calc R U . . .
C12_10 C 0.6807(2) 0.9191(2) 0.55515(13) 0.0454(16) Uani 1 1 d . . . . .
H12_10 H 0.6977 0.9316 0.5617 0.054 Uiso 1 1 calc R U . . .
C13_10 C 0.5515(2) 0.9566(2) 0.54396(13) 0.0426(16) Uani 1 1 d . . . . .
C14_10 C 0.8618(2) 0.7100(2) 0.55154(13) 0.0441(16) Uani 1 1 d . . . . .
C15_10 C 0.9051(3) 0.6773(2) 0.56332(13) 0.0526(18) Uani 1 1 d . . . . .
H15_10 H 0.9192 0.6902 0.5717 0.063 Uiso 1 1 calc R U . . .
C16_10 C 0.9285(2) 0.6277(2) 0.56345(13) 0.0511(18) Uani 1 1 d . . . . .
H16_10 H 0.9579 0.6064 0.5723 0.061 Uiso 1 1 calc R U . . .
C17_10 C 0.9102(3) 0.6082(2) 0.55085(15) 0.059(2) Uani 1 1 d D . . . .
C18_10 C 0.8653(3) 0.6400(3) 0.53846(14) 0.062(2) Uani 1 1 d . . . . .
H18_10 H 0.8522 0.6270 0.5295 0.075 Uiso 1 1 calc R U . . .
C19_10 C 0.8412(3) 0.6898(2) 0.53959(13) 0.0513(18) Uani 1 1 d . . . . .
H19_10 H 0.8103 0.7110 0.5322 0.062 Uiso 1 1 calc R U . . .
C20_10 C 0.9370(3) 0.5537(3) 0.54932(18) 0.068(2) Uani 1 1 d . . . . .
C21_10 C 0.8669(3) 0.8677(2) 0.55184(14) 0.0519(18) Uani 1 1 d . . . . .
C22_10 C 0.8557(2) 0.9153(2) 0.53621(14) 0.057(2) Uani 1 1 d . . . . .
H22_10 H 0.8308 0.9304 0.5240 0.068 Uiso 1 1 calc R U . . .
C23_10 C 0.8794(3) 0.9412(2) 0.53780(15) 0.062(2) Uani 1 1 d . . . . .
H23_10 H 0.8710 0.9739 0.5265 0.074 Uiso 1 1 calc R U . . .
C24_10 C 0.9150(2) 0.9215(2) 0.55521(12) 0.0383(15) Uani 1 1 d D . . . .
C25_10 C 0.9294(2) 0.8729(2) 0.57153(15) 0.0576(19) Uani 1 1 d . . . . .
H25_10 H 0.9549 0.8582 0.5832 0.069 Uiso 1 1 calc R U . . .
C26_10 C 0.9040(2) 0.8468(2) 0.56965(14) 0.0521(18) Uani 1 1 d . . . . .
H26_10 H 0.9123 0.8140 0.5808 0.063 Uiso 1 1 calc R U . . .
C27_10 C 0.9396(3) 0.9506(2) 0.55624(14) 0.0498(17) Uani 1 1 d . . . . .
O1_10 O 0.53045(16) 0.93636(17) 0.53542(9) 0.0600(13) Uani 1 1 d . . . . .
H1A_10 H 0.4998 0.9545 0.5362 0.090 Uiso 1 1 calc DR U . . .
O2_10 O 0.52548(14) 0.99664(15) 0.55255(8) 0.0492(11) Uani 1 1 d . . . . .
O3_10 O 0.9746(2) 0.52545(16) 0.56367(11) 0.0691(15) Uani 1 1 d . . . . .
H3A_10 H 0.9870 0.4957 0.5619 0.104 Uiso 1 1 calc DR U . . .
O4_10 O 0.91999(19) 0.53770(17) 0.53673(11) 0.0817(17) Uani 1 1 d . . . . .
O5_10 O 0.93087(19) 0.99166(17) 0.54021(11) 0.0839(17) Uani 1 1 d . . . . .
O6_10 O 0.97241(16) 0.93054(15) 0.57442(9) 0.0552(12) Uani 1 1 d . . . . .
H6A_10 H 0.9820 0.9515 0.5744 0.083 Uiso 1 1 calc DR U . . .
C1_11 C 0.8429(2) 0.8680(2) 0.47590(12) 0.0434(16) Uani 1 1 d . . . . .
C2_11 C 0.8213(2) 0.8412(2) 0.47334(11) 0.0419(16) Uani 1 1 d . . . . .
H2_11 H 0.8409 0.8065 0.4732 0.050 Uiso 1 1 calc R U . . .
C3_11 C 0.7710(3) 0.8631(2) 0.47088(13) 0.0496(18) Uani 1 1 d . . . . .
C4_11 C 0.7398(3) 0.9138(2) 0.47185(13) 0.0535(18) Uani 1 1 d . . . . .
H4_11 H 0.7052 0.9283 0.4712 0.064 Uiso 1 1 calc R U . . .
C5_11 C 0.7630(3) 0.9422(2) 0.47391(13) 0.0508(18) Uani 1 1 d . . . . .
C6_11 C 0.8129(3) 0.9185(2) 0.47744(12) 0.0498(17) Uani 1 1 d . . . . .
H6_11 H 0.8271 0.9368 0.4810 0.060 Uiso 1 1 calc R U . . .
C7_11 C 0.8956(2) 0.8446(2) 0.47674(12) 0.0413(16) Uani 1 1 d . . . . .
C8_11 C 0.9236(2) 0.7920(2) 0.48513(13) 0.0512(18) Uani 1 1 d . . . . .
H8_11 H 0.9065 0.7720 0.4912 0.061 Uiso 1 1 calc R U . . .
C9_11 C 0.9730(2) 0.7685(2) 0.48497(13) 0.0505(17) Uani 1 1 d . . . . .
H9_11 H 0.9895 0.7329 0.4907 0.061 Uiso 1 1 calc R U . . .
C10_11 C 1.0007(2) 0.7957(2) 0.47650(12) 0.0392(15) Uani 1 1 d D . . . .
C11_11 C 0.9753(3) 0.8473(2) 0.46999(12) 0.0500(17) Uani 1 1 d . . . . .
H11_11 H 0.9925 0.8670 0.4655 0.060 Uiso 1 1 calc R U . . .
C12_11 C 0.9237(3) 0.8709(2) 0.47005(13) 0.0522(18) Uani 1 1 d . . . . .
H12_11 H 0.9070 0.9066 0.4653 0.063 Uiso 1 1 calc R U . . .
C13_11 C 1.0550(2) 0.7682(2) 0.47517(13) 0.0439(16) Uani 1 1 d . . . . .
C14_11 C 0.7473(2) 0.8323(2) 0.46708(13) 0.0459(16) Uani 1 1 d . . . . .
C15_11 C 0.7100(2) 0.8519(2) 0.45038(14) 0.0552(19) Uani 1 1 d . . . . .
H15_11 H 0.6976 0.8860 0.4407 0.066 Uiso 1 1 calc R U . . .
C16_11 C 0.6917(2) 0.8235(2) 0.44779(15) 0.0570(19) Uani 1 1 d . . . . .
H16_11 H 0.6671 0.8377 0.4356 0.068 Uiso 1 1 calc R U . . .
C17_11 C 0.7066(3) 0.7735(2) 0.46199(15) 0.0567(19) Uani 1 1 d D . . . .
C18_11 C 0.7439(2) 0.7532(2) 0.47886(14) 0.0514(17) Uani 1 1 d . . . . .
H18_11 H 0.7555 0.7190 0.4884 0.062 Uiso 1 1 calc R U . . .
C19_11 C 0.7653(2) 0.7821(2) 0.48220(14) 0.0521(18) Uani 1 1 d . . . . .
H19_11 H 0.7905 0.7684 0.4940 0.063 Uiso 1 1 calc R U . . .
C20_11 C 0.6843(3) 0.7431(3) 0.45926(16) 0.061(2) Uani 1 1 d . . . . .
C21_11 C 0.7324(3) 0.9969(2) 0.47412(13) 0.0526(18) Uani 1 1 d . . . . .
C22_11 C 0.7420(3) 1.0155(3) 0.49194(17) 0.095(3) Uani 1 1 d . . . . .
H22_11 H 0.7661 0.9940 0.5045 0.114 Uiso 1 1 calc R U . . .
C23_11 C 0.7151(4) 1.0673(3) 0.49097(19) 0.118(4) Uani 1 1 d . . . . .
H23_11 H 0.7224 1.0808 0.5027 0.142 Uiso 1 1 calc R U . . .
C24_11 C 0.6808(3) 1.0974(3) 0.47483(15) 0.0571(19) Uani 1 1 d D . . . .
C25_11 C 0.6695(2) 1.0781(2) 0.45721(14) 0.0516(17) Uani 1 1 d . . . . .
H25_11 H 0.6443 1.0998 0.4453 0.062 Uiso 1 1 calc R U . . .
C26_11 C 0.6950(2) 1.0286(2) 0.45747(14) 0.0526(17) Uani 1 1 d . . . . .
H26_11 H 0.6869 1.0154 0.4460 0.063 Uiso 1 1 calc R U . . .
C27_11 C 0.6521(3) 1.1527(3) 0.47443(17) 0.068(2) Uani 1 1 d . . . . .
O1_11 O 1.07683(15) 0.72178(15) 0.48220(10) 0.0604(13) Uani 1 1 d . . . . .
O2_11 O 1.07641(15) 0.79615(14) 0.46743(8) 0.0453(11) Uani 1 1 d . . . . .
H2A_11 H 1.1070 0.7781 0.4665 0.068 Uiso 1 1 calc DR U . . .
O3_11 O 0.6545(2) 0.76256(18) 0.44132(11) 0.0805(16) Uani 1 1 d . . . . .
H3A_11 H 0.6400 0.7450 0.4432 0.121 Uiso 1 1 calc DR U . . .
O4_11 O 0.69589(19) 0.69981(18) 0.47562(11) 0.0798(16) Uani 1 1 d . . . . .
O5_11 O 0.6618(2) 1.16980(19) 0.49031(12) 0.107(2) Uani 1 1 d . . . . .
O6_11 O 0.62078(19) 1.18209(17) 0.45623(11) 0.0768(15) Uani 1 1 d . . . . .
H6A_11 H 0.6076 1.2118 0.4581 0.115 Uiso 1 1 calc DR U . . .
C1_12 C 0.9129(2) 0.8624(2) 0.40509(12) 0.0412(16) Uani 1 1 d . . . . .
C2_12 C 0.8864(2) 0.8384(2) 0.40130(12) 0.0429(16) Uani 1 1 d . . . . .
H2_12 H 0.9045 0.8044 0.3997 0.052 Uiso 1 1 calc R U . . .
C3_12 C 0.8351(2) 0.8621(2) 0.39982(12) 0.0388(15) Uani 1 1 d . . . . .
C4_12 C 0.8092(2) 0.9118(2) 0.40113(11) 0.0385(15) Uani 1 1 d . . . . .
H4_12 H 0.7746 0.9287 0.3997 0.046 Uiso 1 1 calc R U . . .
C5_12 C 0.8326(2) 0.9387(2) 0.40453(12) 0.0439(16) Uani 1 1 d . . . . .
C6_12 C 0.8830(2) 0.9138(2) 0.40585(12) 0.0394(15) Uani 1 1 d . . . . .
H6_12 H 0.8987 0.9323 0.4074 0.047 Uiso 1 1 calc R U . . .
C7_12 C 0.9646(2) 0.8375(2) 0.40632(12) 0.0448(16) Uani 1 1 d . . . . .
C8_12 C 0.9902(3) 0.7853(2) 0.41442(12) 0.0486(17) Uani 1 1 d . . . . .
H8_12 H 0.9722 0.7663 0.4198 0.058 Uiso 1 1 calc R U . . .
C9_12 C 1.0410(3) 0.7600(2) 0.41496(13) 0.0505(17) Uani 1 1 d . . . . .
H9_12 H 1.0570 0.7244 0.4208 0.061 Uiso 1 1 calc R U . . .
C10_12 C 1.0686(2) 0.7867(2) 0.40702(12) 0.0437(16) Uani 1 1 d D . . . .
C11_12 C 1.0428(2) 0.8395(3) 0.39869(12) 0.0468(17) Uani 1 1 d . . . . .
H11_12 H 1.0607 0.8585 0.3929 0.056 Uiso 1 1 calc R U . . .
C12_12 C 0.9927(3) 0.8639(2) 0.39868(12) 0.0451(16) Uani 1 1 d . . . . .
H12_12 H 0.9765 0.8996 0.3934 0.054 Uiso 1 1 calc R U . . .
C13_12 C 1.1226(2) 0.7598(3) 0.40677(12) 0.0422(16) Uani 1 1 d . . . . .
C14_12 C 0.8107(2) 0.8337(2) 0.39710(13) 0.0428(16) Uani 1 1 d . . . . .
C15_12 C 0.7727(2) 0.8549(2) 0.38084(13) 0.0483(17) Uani 1 1 d . . . . .
H15_12 H 0.7619 0.8889 0.3711 0.058 Uiso 1 1 calc R U . . .
C16_12 C 0.7499(2) 0.8283(2) 0.37827(14) 0.0509(18) Uani 1 1 d . . . . .
H16_12 H 0.7233 0.8443 0.3672 0.061 Uiso 1 1 calc R U . . .
C17_12 C 0.7656(2) 0.7781(2) 0.39186(13) 0.0445(16) Uani 1 1 d D . . . .
C18_12 C 0.8027(3) 0.7573(2) 0.40845(13) 0.0547(18) Uani 1 1 d . . . . .
H18_12 H 0.8133 0.7234 0.4184 0.066 Uiso 1 1 calc R U . . .
C19_12 C 0.8249(2) 0.7842(2) 0.41103(14) 0.0523(18) Uani 1 1 d . . . . .
H19_12 H 0.8506 0.7686 0.4227 0.063 Uiso 1 1 calc R U . . .
C20_12 C 0.7404(3) 0.7501(2) 0.39083(16) 0.0563(19) Uani 1 1 d . . . . .
C21_12 C 0.8044(2) 0.9918(2) 0.40621(12) 0.0390(15) Uani 1 1 d . . . . .
C22_12 C 0.8183(2) 1.0124(2) 0.42090(12) 0.0483(17) Uani 1 1 d . . . . .
H22_12 H 0.8459 0.9913 0.4313 0.058 Uiso 1 1 calc R U . . .
C23_12 C 0.7927(3) 1.0637(2) 0.42088(13) 0.0502(17) Uani 1 1 d . . . . .
H23_12 H 0.8029 1.0773 0.4311 0.060 Uiso 1 1 calc R U . . .
C24_12 C 0.7520(2) 1.0948(2) 0.40563(13) 0.0430(16) Uani 1 1 d D . . . .
C25_12 C 0.7382(2) 1.0746(2) 0.39052(13) 0.0440(16) Uani 1 1 d . . . . .
H25_12 H 0.7106 1.0956 0.3801 0.053 Uiso 1 1 calc R U . . .
C26_12 C 0.7638(2) 1.0252(2) 0.39041(13) 0.0448(16) Uani 1 1 d . . . . .
H26_12 H 0.7544 1.0123 0.3794 0.054 Uiso 1 1 calc R U . . .
C27_12 C 0.7234(2) 1.1478(2) 0.40674(14) 0.0483(17) Uani 1 1 d . . . . .
O1_12 O 1.14239(17) 0.71304(17) 0.41412(9) 0.0575(12) Uani 1 1 d . . . . .
O2_12 O 1.14561(16) 0.78625(16) 0.39800(9) 0.0522(12) Uani 1 1 d . . . . .
H2A_12 H 1.1759 0.7673 0.3959 0.078 Uiso 1 1 calc DR U . . .
O3_12 O 0.70735(19) 0.77026(17) 0.37430(11) 0.0742(15) Uani 1 1 d . . . . .
H3A_12 H 0.6950 0.7509 0.3758 0.111 Uiso 1 1 calc DR U . . .
O4_12 O 0.75422(17) 0.70533(16) 0.40546(10) 0.0692(14) Uani 1 1 d . . . . .
O5_12 O 0.73362(16) 1.16570(15) 0.42279(9) 0.0601(13) Uani 1 1 d . . . . .
O6_12 O 0.68785(17) 1.17635(15) 0.39047(9) 0.0571(12) Uani 1 1 d . . . . .
H6A_12 H 0.6768 1.2066 0.3910 0.086 Uiso 1 1 calc DR U . . .
C1_13 C 0.9719(2) 0.8562(2) 0.33485(11) 0.0370(15) Uani 1 1 d . . . . .
C2_13 C 0.9454(2) 0.8335(2) 0.33187(12) 0.0391(15) Uani 1 1 d . . . . .
H2_13 H 0.9628 0.7989 0.3314 0.047 Uiso 1 1 calc R U . . .
C3_13 C 0.8941(2) 0.85821(19) 0.32942(11) 0.0328(14) Uani 1 1 d . . . . .
C4_13 C 0.8681(2) 0.90946(19) 0.33039(11) 0.0337(14) Uani 1 1 d . . . . .
H4_13 H 0.8336 0.9273 0.3286 0.040 Uiso 1 1 calc R U . . .
C5_13 C 0.8936(2) 0.9343(2) 0.33403(12) 0.0395(15) Uani 1 1 d . . . . .
C6_13 C 0.9442(2) 0.9075(2) 0.33640(12) 0.0406(15) Uani 1 1 d . . . . .
H6_13 H 0.9608 0.9242 0.3392 0.049 Uiso 1 1 calc R U . . .
C7_13 C 1.0252(2) 0.8294(2) 0.33657(12) 0.0387(15) Uani 1 1 d . . . . .
C8_13 C 1.0490(2) 0.7770(2) 0.34519(12) 0.0424(16) Uani 1 1 d . . . . .
H8_13 H 1.0302 0.7588 0.3504 0.051 Uiso 1 1 calc R U . . .
C9_13 C 1.0997(2) 0.7510(2) 0.34621(11) 0.0431(16) Uani 1 1 d . . . . .
H9_13 H 1.1153 0.7154 0.3522 0.052 Uiso 1 1 calc R U . . .
C10_13 C 1.1273(2) 0.7771(2) 0.33842(12) 0.0441(16) Uani 1 1 d D . . . .
C11_13 C 1.1043(3) 0.8292(3) 0.33097(12) 0.0451(17) Uani 1 1 d . . . . .
H11_13 H 1.1233 0.8470 0.3269 0.054 Uiso 1 1 calc R U . . .
C12_13 C 1.0544(2) 0.8554(2) 0.32936(12) 0.0430(16) Uani 1 1 d . . . . .
H12_13 H 1.0393 0.8910 0.3234 0.052 Uiso 1 1 calc R U . . .
C13_13 C 1.1831(3) 0.7486(3) 0.33819(13) 0.0516(18) Uani 1 1 d . . . . .
C14_13 C 0.8688(2) 0.8316(2) 0.32630(13) 0.0426(16) Uani 1 1 d . . . . .
C15_13 C 0.8294(2) 0.8553(2) 0.30959(13) 0.0450(16) Uani 1 1 d . . . . .
H15_13 H 0.8188 0.8894 0.3001 0.054 Uiso 1 1 calc R U . . .
C16_13 C 0.8071(2) 0.8292(2) 0.30729(12) 0.0418(15) Uani 1 1 d . . . . .
H16_13 H 0.7822 0.8446 0.2951 0.050 Uiso 1 1 calc R U . . .
C17_13 C 0.8194(2) 0.7804(2) 0.32223(14) 0.0490(17) Uani 1 1 d D . . . .
C18_13 C 0.8570(2) 0.7569(2) 0.33923(13) 0.0460(16) Uani 1 1 d . . . . .
H18_13 H 0.8657 0.7233 0.3492 0.055 Uiso 1 1 calc R U . . .
C19_13 C 0.8815(2) 0.7811(2) 0.34187(12) 0.0454(17) Uani 1 1 d . . . . .
H19_13 H 0.9068 0.7649 0.3538 0.055 Uiso 1 1 calc R U . . .
C20_13 C 0.7914(3) 0.7521(3) 0.32079(17) 0.063(2) Uani 1 1 d . . . . .
C21_13 C 0.8667(2) 0.9872(2) 0.33527(12) 0.0398(15) Uani 1 1 d . . . . .
C22_13 C 0.8807(2) 1.0084(2) 0.35012(11) 0.0389(15) Uani 1 1 d . . . . .
H22_13 H 0.9090 0.9879 0.3600 0.047 Uiso 1 1 calc R U . . .
C23_13 C 0.8542(3) 1.0586(2) 0.35061(13) 0.0483(17) Uani 1 1 d . . . . .
H23_13 H 0.8639 1.0718 0.3614 0.058 Uiso 1 1 calc R U . . .
C24_13 C 0.8143(2) 1.0899(2) 0.33609(13) 0.0463(17) Uani 1 1 d D . . . .
C25_13 C 0.7988(2) 1.07078(19) 0.32112(12) 0.0399(15) Uani 1 1 d . . . . .
H25_13 H 0.7703 1.0921 0.3114 0.048 Uiso 1 1 calc R U . . .
C26_13 C 0.8249(2) 1.0205(2) 0.32034(12) 0.0476(17) Uani 1 1 d . . . . .
H26_13 H 0.8148 1.0079 0.3095 0.057 Uiso 1 1 calc R U . . .
C27_13 C 0.7846(3) 1.1444(2) 0.33693(14) 0.0501(17) Uani 1 1 d . . . . .
O1_13 O 1.20208(16) 0.70055(17) 0.34537(9) 0.0563(12) Uani 1 1 d . . . . .
O2_13 O 1.20575(15) 0.77424(16) 0.33044(9) 0.0496(11) Uani 1 1 d . . . . .
H2A_13 H 1.2361 0.7553 0.3314 0.074 Uiso 1 1 calc DR U . . .
O3_13 O 0.75931(18) 0.77446(17) 0.30415(11) 0.0687(14) Uani 1 1 d . . . . .
H3A_13 H 0.7455 0.7567 0.3050 0.103 Uiso 1 1 calc DR U . . .
O4_13 O 0.80389(18) 0.70860(16) 0.33618(11) 0.0762(15) Uani 1 1 d . . . . .
O5_13 O 0.79832(17) 1.16015(15) 0.35241(9) 0.0560(12) Uani 1 1 d . . . . .
O6_13 O 0.74860(18) 1.17052(15) 0.32344(11) 0.0648(14) Uani 1 1 d . . . . .
H6A_13 H 0.7358 1.2004 0.3251 0.097 Uiso 1 1 calc DR U . . .
C1_14 C 1.0388(2) 0.8500(2) 0.26483(11) 0.0391(15) Uani 1 1 d . . . . .
C2_14 C 1.0112(2) 0.8278(2) 0.26203(12) 0.0421(16) Uani 1 1 d . . . . .
H2_14 H 1.0275 0.7932 0.2615 0.051 Uiso 1 1 calc R U . . .
C3_14 C 0.9600(2) 0.8546(2) 0.25998(13) 0.0451(16) Uani 1 1 d . . . . .
C4_14 C 0.9369(2) 0.9038(2) 0.26153(10) 0.0319(14) Uani 1 1 d . . . . .
H4_14 H 0.9023 0.9223 0.2604 0.038 Uiso 1 1 calc R U . . .
C5_14 C 0.9629(2) 0.9279(2) 0.26482(11) 0.0327(14) Uani 1 1 d . . . . .
C6_14 C 1.0131(2) 0.9003(2) 0.26682(11) 0.0420(16) Uani 1 1 d . . . . .
H6_14 H 1.0307 0.9160 0.2696 0.050 Uiso 1 1 calc R U . . .
C7_14 C 1.0932(2) 0.8218(2) 0.26646(12) 0.0398(15) Uani 1 1 d . . . . .
C8_14 C 1.1168(2) 0.7684(2) 0.27535(12) 0.0448(16) Uani 1 1 d . . . . .
H8_14 H 1.0979 0.7503 0.2809 0.054 Uiso 1 1 calc R U . . .
C9_14 C 1.1663(2) 0.7436(2) 0.27580(11) 0.0390(15) Uani 1 1 d . . . . .
H9_14 H 1.1818 0.7080 0.2815 0.047 Uiso 1 1 calc R U . . .
C10_14 C 1.1951(2) 0.7682(2) 0.26829(11) 0.0381(15) Uani 1 1 d D . . . .
C11_14 C 1.1709(3) 0.8223(2) 0.25935(12) 0.0441(16) Uani 1 1 d . . . . .
H11_14 H 1.1894 0.8408 0.2541 0.053 Uiso 1 1 calc R U . . .
C12_14 C 1.1218(2) 0.8462(2) 0.25860(11) 0.0419(16) Uani 1 1 d . . . . .
H12_14 H 1.1062 0.8817 0.2523 0.050 Uiso 1 1 calc R U . . .
C13_14 C 1.2499(2) 0.7411(2) 0.26771(12) 0.0412(16) Uani 1 1 d . . . . .
C14_14 C 0.9332(2) 0.8277(2) 0.25758(13) 0.0384(15) Uani 1 1 d . . . . .
C15_14 C 0.8953(2) 0.8509(2) 0.24001(14) 0.0545(19) Uani 1 1 d . . . . .
H15_14 H 0.8869 0.8842 0.2296 0.065 Uiso 1 1 calc R U . . .
C16_14 C 0.8709(3) 0.8268(2) 0.23774(15) 0.0587(19) Uani 1 1 d . . . . .
H16_14 H 0.8464 0.8423 0.2253 0.070 Uiso 1 1 calc R U . . .
C17_14 C 0.8821(2) 0.7779(2) 0.25421(16) 0.058(2) Uani 1 1 d D . . . .
C18_14 C 0.9188(2) 0.7546(2) 0.27184(14) 0.0517(18) Uani 1 1 d . . . . .
H18_14 H 0.9259 0.7221 0.2831 0.062 Uiso 1 1 calc R U . . .
C19_14 C 0.9454(2) 0.7798(2) 0.27288(13) 0.0483(17) Uani 1 1 d . . . . .
H19_14 H 0.9718 0.7636 0.2842 0.058 Uiso 1 1 calc R U . . .
C20_14 C 0.8537(3) 0.7522(2) 0.25183(18) 0.061(2) Uani 1 1 d . . . . .
C21_14 C 0.9350(3) 0.9826(2) 0.26619(13) 0.0457(17) Uani 1 1 d . . . . .
C22_14 C 0.9491(2) 1.0019(2) 0.28162(12) 0.0430(16) Uani 1 1 d . . . . .
H22_14 H 0.9772 0.9810 0.2916 0.052 Uiso 1 1 calc R U . . .
C23_14 C 0.9217(2) 1.0526(2) 0.28236(12) 0.0452(16) Uani 1 1 d . . . . .
H23_14 H 0.9314 1.0660 0.2929 0.054 Uiso 1 1 calc R U . . .
C24_14 C 0.8823(2) 1.0823(2) 0.26866(14) 0.0443(16) Uani 1 1 d D . . . .
C25_14 C 0.8682(3) 1.0649(2) 0.25214(14) 0.0521(18) Uani 1 1 d . . . . .
H25_14 H 0.8416 1.0869 0.2411 0.062 Uiso 1 1 calc R U . . .
C26_14 C 0.8949(2) 1.0130(2) 0.25225(13) 0.0476(17) Uani 1 1 d . . . . .
H26_14 H 0.8844 0.9993 0.2423 0.057 Uiso 1 1 calc R U . . .
C27_14 C 0.8527(2) 1.1364(2) 0.27042(15) 0.0492(17) Uani 1 1 d . . . . .
O1_14 O 1.26965(15) 0.69368(14) 0.27706(8) 0.0448(10) Uani 1 1 d . . . . .
O2_14 O 1.27347(15) 0.76496(15) 0.25852(9) 0.0520(11) Uani 1 1 d . . . . .
H2A_14 H 1.3032 0.7461 0.2614 0.078 Uiso 1 1 calc DR U . . .
O3_14 O 0.8226(2) 0.77094(19) 0.23484(12) 0.0926(19) Uani 1 1 d . . . . .
H3A_14 H 0.8130 0.7500 0.2350 0.139 Uiso 1 1 calc DR U . . .
O4_14 O 0.86437(17) 0.70901(16) 0.27032(11) 0.0695(14) Uani 1 1 d . . . . .
O5_14 O 0.86113(15) 1.15301(15) 0.28630(9) 0.0539(12) Uani 1 1 d . . . . .
O6_14 O 0.8182(2) 1.16512(17) 0.25327(11) 0.0812(17) Uani 1 1 d . . . . .
H6A_14 H 0.8071 1.1954 0.2537 0.122 Uiso 1 1 calc DR U . . .
C1_15 C 0.3505(2) 0.3878(2) 0.97454(11) 0.0369(15) Uani 1 1 d . . . . .
C2_15 C 0.3227(2) 0.4381(2) 0.97477(12) 0.0403(15) Uani 1 1 d . . . . .
H2_15 H 0.3387 0.4565 0.9762 0.048 Uiso 1 1 calc R U . . .
C3_15 C 0.2720(2) 0.4629(2) 0.97304(12) 0.0390(15) Uani 1 1 d . . . . .
C4_15 C 0.2478(2) 0.4358(2) 0.97148(11) 0.0333(14) Uani 1 1 d . . . . .
H4_15 H 0.2132 0.4518 0.9705 0.040 Uiso 1 1 calc R U . . .
C5_15 C 0.2763(2) 0.3841(2) 0.97136(11) 0.0364(15) Uani 1 1 d . . . . .
C6_15 C 0.3265(2) 0.3604(2) 0.97270(12) 0.0441(17) Uani 1 1 d . . . . .
H6_15 H 0.3449 0.3258 0.9724 0.053 Uiso 1 1 calc R U . . .
C7_15 C 0.4043(2) 0.3627(2) 0.97530(13) 0.0449(17) Uani 1 1 d . . . . .
C8_15 C 0.4324(2) 0.3897(2) 0.96597(11) 0.0380(14) Uani 1 1 d . . . . .
H8_15 H 0.4163 0.4251 0.9593 0.046 Uiso 1 1 calc R U . . .
C9_15 C 0.4837(2) 0.3647(2) 0.96644(11) 0.0390(15) Uani 1 1 d . . . . .
H9_15 H 0.5023 0.3831 0.9606 0.047 Uiso 1 1 calc R U . . .
C10_15 C 0.5077(2) 0.3118(2) 0.97561(12) 0.0378(15) Uani 1 1 d D . . . .
C11_15 C 0.4788(3) 0.2858(2) 0.98467(12) 0.0459(17) Uani 1 1 d . . . . .
H11_15 H 0.4944 0.2502 0.9907 0.055 Uiso 1 1 calc R U . . .
C12_15 C 0.4289(2) 0.3112(2) 0.98482(13) 0.0436(16) Uani 1 1 d . . . . .
H12_15 H 0.4103 0.2929 0.9917 0.052 Uiso 1 1 calc R U . . .
C13_15 C 0.5620(2) 0.2850(2) 0.97421(12) 0.0413(16) Uani 1 1 d . . . . .
C14_15 C 0.2428(2) 0.5181(2) 0.97291(12) 0.0384(15) Uani 1 1 d . . . . .
C15_15 C 0.2016(2) 0.5487(2) 0.95746(14) 0.0495(18) Uani 1 1 d . . . . .
H15_15 H 0.1912 0.5345 0.9477 0.059 Uiso 1 1 calc R U . . .
C16_15 C 0.1772(2) 0.5987(2) 0.95692(13) 0.0468(17) Uani 1 1 d . . . . .
H16_15 H 0.1499 0.6195 0.9463 0.056 Uiso 1 1 calc R U . . .
C17_15 C 0.1909(2) 0.6204(2) 0.97147(13) 0.0422(16) Uani 1 1 d D . . . .
C18_15 C 0.2307(2) 0.5908(2) 0.98631(13) 0.0446(16) Uani 1 1 d . . . . .
H18_15 H 0.2406 0.6050 0.9963 0.053 Uiso 1 1 calc R U . . .
C19_15 C 0.2568(2) 0.5392(2) 0.98673(12) 0.0410(15) Uani 1 1 d . . . . .
H19_15 H 0.2847 0.5187 0.9969 0.049 Uiso 1 1 calc R U . . .
C20_15 C 0.1633(2) 0.6739(2) 0.97118(15) 0.0480(17) Uani 1 1 d . . . . .
C21_15 C 0.2522(2) 0.3536(2) 0.96996(12) 0.0353(14) Uani 1 1 d . . . . .
C22_15 C 0.2680(2) 0.3043(2) 0.98446(13) 0.0458(16) Uani 1 1 d . . . . .
H22_15 H 0.2941 0.2902 0.9957 0.055 Uiso 1 1 calc R U . . .
C23_15 C 0.2471(3) 0.2751(2) 0.98309(13) 0.0570(19) Uani 1 1 d . . . . .
H23_15 H 0.2595 0.2409 0.9927 0.068 Uiso 1 1 calc R U . . .
C24_15 C 0.2078(2) 0.2963(2) 0.96741(13) 0.0458(16) Uani 1 1 d D . . . .
C25_15 C 0.1917(2) 0.3450(2) 0.95306(13) 0.0447(16) Uani 1 1 d . . . . .
H25_15 H 0.1649 0.3593 0.9422 0.054 Uiso 1 1 calc R U . . .
C26_15 C 0.2133(2) 0.3739(2) 0.95394(12) 0.0443(16) Uani 1 1 d . . . . .
H26_15 H 0.2017 0.4076 0.9436 0.053 Uiso 1 1 calc R U . . .
C27_15 C 0.1822(3) 0.2670(2) 0.96650(15) 0.0523(18) Uani 1 1 d . . . . .
O1_15 O 0.58559(15) 0.30979(15) 0.96603(8) 0.0520(11) Uani 1 1 d . . . . .
O2_15 O 0.58126(16) 0.23792(15) 0.98293(10) 0.0564(12) Uani 1 1 d . . . . .
H2A_15 H 0.6119 0.2265 0.9822 0.085 Uiso 1 1 calc DR U . . .
O3_15 O 0.12959(16) 0.70184(15) 0.95586(10) 0.0553(12) Uani 1 1 d . . . . .
H3A_15 H 0.1156 0.7310 0.9587 0.083 Uiso 1 1 calc DR U . . .
O4_15 O 0.17433(19) 0.69057(16) 0.98741(11) 0.0822(17) Uani 1 1 d . . . . .
O5_15 O 0.19459(18) 0.22400(17) 0.98066(10) 0.0724(15) Uani 1 1 d . . . . .
O6_15 O 0.14973(17) 0.28778(15) 0.94901(10) 0.0626(13) Uani 1 1 d . . . . .
H6A_15 H 0.1390 0.2677 0.9492 0.094 Uiso 1 1 calc DR U . . .
C1_16 C 0.4156(2) 0.3829(2) 0.90390(12) 0.0391(15) Uani 1 1 d . . . . .
C2_16 C 0.3900(2) 0.3567(2) 0.90265(11) 0.0386(15) Uani 1 1 d . . . . .
H2_16 H 0.4072 0.3217 0.9029 0.046 Uiso 1 1 calc R U . . .
C3_16 C 0.3383(2) 0.3831(2) 0.90101(12) 0.0369(15) Uani 1 1 d . . . . .
C4_16 C 0.3121(2) 0.4345(2) 0.90059(10) 0.0345(14) Uani 1 1 d . . . . .
H4_16 H 0.2777 0.4521 0.8988 0.041 Uiso 1 1 calc R U . . .
C5_16 C 0.3381(2) 0.4598(2) 0.90291(12) 0.0377(15) Uani 1 1 d . . . . .
C6_16 C 0.3875(2) 0.4346(2) 0.90399(11) 0.0381(15) Uani 1 1 d . . . . .
H6_16 H 0.4042 0.4526 0.9049 0.046 Uiso 1 1 calc R U . . .
C7_16 C 0.4694(2) 0.3557(2) 0.90461(12) 0.0380(15) Uani 1 1 d . . . . .
C8_16 C 0.4943(2) 0.3039(2) 0.91375(12) 0.0432(16) Uani 1 1 d . . . . .
H8_16 H 0.4761 0.2852 0.9200 0.052 Uiso 1 1 calc R U . . .
C9_16 C 0.5456(2) 0.2786(2) 0.91405(12) 0.0433(16) Uani 1 1 d . . . . .
H9_16 H 0.5617 0.2430 0.9202 0.052 Uiso 1 1 calc R U . . .
C10_16 C 0.5726(2) 0.3048(2) 0.90545(10) 0.0326(14) Uani 1 1 d D . . . .
C11_16 C 0.5493(2) 0.3566(2) 0.89727(12) 0.0439(16) Uani 1 1 d . . . . .
H11_16 H 0.5680 0.3748 0.8925 0.053 Uiso 1 1 calc R U . . .
C12_16 C 0.4993(3) 0.3818(2) 0.89603(12) 0.0481(17) Uani 1 1 d . . . . .
H12_16 H 0.4840 0.4173 0.8894 0.058 Uiso 1 1 calc R U . . .
C13_16 C 0.6270(3) 0.2785(3) 0.90447(13) 0.0473(17) Uani 1 1 d . . . . .
C14_16 C 0.3126(2) 0.3548(2) 0.89989(12) 0.0404(16) Uani 1 1 d . . . . .
C15_16 C 0.2731(2) 0.3760(2) 0.88395(12) 0.0378(15) Uani 1 1 d . . . . .
H15_16 H 0.2624 0.4097 0.8737 0.045 Uiso 1 1 calc R U . . .
C16_16 C 0.2489(2) 0.3491(2) 0.88274(13) 0.0460(16) Uani 1 1 d . . . . .
H16_16 H 0.2234 0.3637 0.8710 0.055 Uiso 1 1 calc R U . . .
C17_16 C 0.2623(2) 0.3015(2) 0.89859(13) 0.0431(16) Uani 1 1 d D . . . .
C18_16 C 0.3029(2) 0.2783(2) 0.91482(12) 0.0440(16) Uani 1 1 d . . . . .
H18_16 H 0.3129 0.2449 0.9253 0.053 Uiso 1 1 calc R U . . .
C19_16 C 0.3274(2) 0.30489(19) 0.91516(12) 0.0388(15) Uani 1 1 d . . . . .
H19_16 H 0.3546 0.2894 0.9258 0.047 Uiso 1 1 calc R U . . .
C20_16 C 0.2363(3) 0.2732(2) 0.89915(15) 0.0577(19) Uani 1 1 d . . . . .
C21_16 C 0.3106(2) 0.5140(2) 0.90258(13) 0.0453(16) Uani 1 1 d . . . . .
C22_16 C 0.3249(3) 0.5349(2) 0.91746(12) 0.0493(17) Uani 1 1 d . . . . .
H22_16 H 0.3525 0.5142 0.9279 0.059 Uiso 1 1 calc R U . . .
C23_16 C 0.2991(3) 0.5852(2) 0.91696(12) 0.0497(17) Uani 1 1 d . . . . .
H23_16 H 0.3093 0.5994 0.9269 0.060 Uiso 1 1 calc R U . . .
C24_16 C 0.2586(2) 0.6155(2) 0.90230(13) 0.0474(17) Uani 1 1 d D . . . .
C25_16 C 0.2435(2) 0.5960(2) 0.88778(13) 0.0494(17) Uani 1 1 d . . . . .
H25_16 H 0.2157 0.6169 0.8776 0.059 Uiso 1 1 calc R U . . .
C26_16 C 0.2692(2) 0.5456(2) 0.88827(12) 0.0437(16) Uani 1 1 d . . . . .
H26_16 H 0.2584 0.5318 0.8785 0.052 Uiso 1 1 calc R U . . .
C27_16 C 0.2307(3) 0.6704(2) 0.90207(14) 0.0483(17) Uani 1 1 d . . . . .
O1_16 O 0.64603(16) 0.23004(16) 0.91373(9) 0.0566(12) Uani 1 1 d . . . . .
H1A_16 H 0.6766 0.2182 0.9138 0.085 Uiso 1 1 calc DR U . . .
O2_16 O 0.65072(14) 0.30392(16) 0.89599(9) 0.0517(11) Uani 1 1 d . . . . .
O3_16 O 0.20050(18) 0.29555(17) 0.88341(10) 0.0684(14) Uani 1 1 d . . . . .
H3A_16 H 0.1870 0.2770 0.8854 0.103 Uiso 1 1 calc DR U . . .
O4_16 O 0.24765(15) 0.22945(14) 0.91394(9) 0.0533(12) Uani 1 1 d . . . . .
O5_16 O 0.24351(16) 0.68670(15) 0.91783(9) 0.0574(12) Uani 1 1 d . . . . .
O6_16 O 0.19547(18) 0.69719(15) 0.88745(10) 0.0637(14) Uani 1 1 d . . . . .
H6A_16 H 0.1834 0.7273 0.8885 0.096 Uiso 1 1 calc DR U . . .
C1_17 C 0.4760(2) 0.3710(2) 0.83459(11) 0.0354(14) Uani 1 1 d . . . . .
C2_17 C 0.4494(2) 0.3470(2) 0.83324(11) 0.0390(15) Uani 1 1 d . . . . .
H2_17 H 0.4662 0.3122 0.8332 0.047 Uiso 1 1 calc R U . . .
C3_17 C 0.3979(3) 0.3728(2) 0.83192(11) 0.0410(16) Uani 1 1 d . . . . .
C4_17 C 0.3739(2) 0.4236(2) 0.83126(12) 0.0449(16) Uani 1 1 d . . . . .
H4_17 H 0.3394 0.4413 0.8298 0.054 Uiso 1 1 calc R U . . .
C5_17 C 0.3985(2) 0.4498(2) 0.83268(12) 0.0386(15) Uani 1 1 d . . . . .
C6_17 C 0.4497(2) 0.4221(2) 0.83457(11) 0.0380(15) Uani 1 1 d . . . . .
H6_17 H 0.4672 0.4390 0.8359 0.046 Uiso 1 1 calc R U . . .
C7_17 C 0.5302(2) 0.3435(2) 0.83542(12) 0.0420(16) Uani 1 1 d . . . . .
C8_17 C 0.5536(2) 0.2901(2) 0.84647(12) 0.0435(16) Uani 1 1 d . . . . .
H8_17 H 0.5342 0.2726 0.8532 0.052 Uiso 1 1 calc R U . . .
C9_17 C 0.6044(2) 0.2639(2) 0.84730(12) 0.0449(16) Uani 1 1 d . . . . .
H9_17 H 0.6201 0.2286 0.8545 0.054 Uiso 1 1 calc R U . . .
C10_17 C 0.6318(2) 0.2909(2) 0.83722(12) 0.0445(16) Uani 1 1 d D . . . .
C11_17 C 0.6105(2) 0.3405(2) 0.82868(13) 0.0488(17) Uani 1 1 d . . . . .
H11_17 H 0.6300 0.3579 0.8234 0.059 Uiso 1 1 calc R U . . .
C12_17 C 0.5588(2) 0.3677(2) 0.82731(11) 0.0415(16) Uani 1 1 d . . . . .
H12_17 H 0.5439 0.4032 0.8207 0.050 Uiso 1 1 calc R U . . .
C13_17 C 0.6865(3) 0.2633(2) 0.83743(12) 0.0411(16) Uani 1 1 d . . . . .
C14_17 C 0.3719(2) 0.3451(2) 0.83083(13) 0.0418(16) Uani 1 1 d . . . . .
C15_17 C 0.3331(3) 0.3676(2) 0.81404(13) 0.0495(17) Uani 1 1 d . . . . .
H15_17 H 0.3251 0.4004 0.8029 0.059 Uiso 1 1 calc R U . . .
C16_17 C 0.3067(2) 0.3437(2) 0.81325(12) 0.0393(15) Uani 1 1 d . . . . .
H16_17 H 0.2813 0.3591 0.8014 0.047 Uiso 1 1 calc R U . . .
C17_17 C 0.3179(2) 0.2958(2) 0.83032(14) 0.0480(17) Uani 1 1 d D . . . .
C18_17 C 0.3550(3) 0.2740(2) 0.84677(13) 0.0503(18) Uani 1 1 d . . . . .
H18_17 H 0.3628 0.2414 0.8581 0.060 Uiso 1 1 calc R U . . .
C19_17 C 0.3812(2) 0.2988(2) 0.84715(12) 0.0420(15) Uani 1 1 d . . . . .
H19_17 H 0.4065 0.2832 0.8591 0.050 Uiso 1 1 calc R U . . .
C20_17 C 0.2873(3) 0.2706(3) 0.83001(15) 0.059(2) Uani 1 1 d . . . . .
C21_17 C 0.3733(2) 0.5024(2) 0.83306(12) 0.0433(16) Uani 1 1 d . . . . .
C22_17 C 0.3880(2) 0.5241(2) 0.84710(12) 0.0435(16) Uani 1 1 d . . . . .
H22_17 H 0.4153 0.5036 0.8577 0.052 Uiso 1 1 calc R U . . .
C23_17 C 0.3628(2) 0.5755(2) 0.84568(12) 0.0407(15) Uani 1 1 d . . . . .
H23_17 H 0.3748 0.5899 0.8544 0.049 Uiso 1 1 calc R U . . .
C24_17 C 0.3212(2) 0.6063(2) 0.83220(12) 0.0398(15) Uani 1 1 d D . . . .
C25_17 C 0.3044(2) 0.5864(2) 0.81823(12) 0.0420(16) Uani 1 1 d . . . . .
H25_17 H 0.2753 0.6074 0.8091 0.050 Uiso 1 1 calc R U . . .
C26_17 C 0.3298(2) 0.5368(2) 0.81778(12) 0.0448(16) Uani 1 1 d . . . . .
H26_17 H 0.3192 0.5239 0.8073 0.054 Uiso 1 1 calc R U . . .
C27_17 C 0.2939(3) 0.6602(2) 0.83221(15) 0.0537(18) Uani 1 1 d . . . . .
O1_17 O 0.70638(17) 0.21550(18) 0.84588(10) 0.0658(14) Uani 1 1 d . . . . .
H1A_17 H 0.7367 0.2034 0.8412 0.099 Uiso 1 1 calc DR U . . .
O2_17 O 0.71029(15) 0.28729(16) 0.82818(8) 0.0516(11) Uani 1 1 d . . . . .
O3_17 O 0.25517(19) 0.29075(16) 0.81336(11) 0.0673(14) Uani 1 1 d . . . . .
H3A_17 H 0.2422 0.2719 0.8149 0.101 Uiso 1 1 calc DR U . . .
O4_17 O 0.29665(18) 0.22803(16) 0.84779(10) 0.0713(14) Uani 1 1 d . . . . .
O5_17 O 0.30758(18) 0.67784(16) 0.84613(10) 0.0694(14) Uani 1 1 d . . . . .
O6_17 O 0.25688(18) 0.68670(15) 0.81874(10) 0.0593(13) Uani 1 1 d . . . . .
H6A_17 H 0.2451 0.7168 0.8197 0.089 Uiso 1 1 calc DR U . . .
C1_18 C 0.5422(2) 0.35042(19) 0.76629(10) 0.0289(13) Uani 1 1 d . . . . .
C2_18 C 0.5142(2) 0.32616(19) 0.76677(11) 0.0339(14) Uani 1 1 d . . . . .
H2_18 H 0.5300 0.2907 0.7688 0.041 Uiso 1 1 calc R U . . .
C3_18 C 0.4623(2) 0.3535(2) 0.76429(11) 0.0401(15) Uani 1 1 d . . . . .
C4_18 C 0.4396(2) 0.4042(2) 0.76316(11) 0.0339(14) Uani 1 1 d . . . . .
H4_18 H 0.4050 0.4226 0.7620 0.041 Uiso 1 1 calc R U . . .
C5_18 C 0.4657(2) 0.42964(19) 0.76369(10) 0.0291(13) Uani 1 1 d . . . . .
C6_18 C 0.5169(2) 0.40228(19) 0.76414(11) 0.0319(14) Uani 1 1 d . . . . .
H6_18 H 0.5353 0.4199 0.7629 0.038 Uiso 1 1 calc R U . . .
C7_18 C 0.5960(2) 0.3226(2) 0.76725(11) 0.0328(14) Uani 1 1 d . . . . .
C8_18 C 0.6177(2) 0.2715(2) 0.77802(12) 0.0405(15) Uani 1 1 d . . . . .
H8_18 H 0.5978 0.2546 0.7853 0.049 Uiso 1 1 calc R U . . .
C9_18 C 0.6701(2) 0.2439(2) 0.77820(11) 0.0415(16) Uani 1 1 d . . . . .
H9_18 H 0.6849 0.2085 0.7851 0.050 Uiso 1 1 calc R U . . .
C10_18 C 0.6992(2) 0.2683(2) 0.76847(11) 0.0358(14) Uani 1 1 d D . . . .
C11_18 C 0.6758(2) 0.3208(2) 0.75780(11) 0.0397(15) Uani 1 1 d . . . . .
H11_18 H 0.6950 0.3384 0.7510 0.048 Uiso 1 1 calc R U . . .
C12_18 C 0.6256(2) 0.3465(2) 0.75711(11) 0.0367(14) Uani 1 1 d . . . . .
H12_18 H 0.6108 0.3816 0.7495 0.044 Uiso 1 1 calc R U . . .
C13_18 C 0.7526(2) 0.2421(2) 0.76778(13) 0.0424(16) Uani 1 1 d . . . . .
C14_18 C 0.4357(2) 0.3258(2) 0.76472(13) 0.0407(15) Uani 1 1 d . . . . .
C15_18 C 0.4003(2) 0.3453(2) 0.74563(14) 0.0495(17) Uani 1 1 d . . . . .
H15_18 H 0.3946 0.3758 0.7326 0.059 Uiso 1 1 calc R U . . .
C16_18 C 0.3749(2) 0.3200(2) 0.74629(14) 0.0516(18) Uani 1 1 d . . . . .
H16_18 H 0.3511 0.3338 0.7336 0.062 Uiso 1 1 calc R U . . .
C17_18 C 0.3816(2) 0.2752(2) 0.76442(13) 0.0437(16) Uani 1 1 d D . . . .
C18_18 C 0.4167(2) 0.2551(2) 0.78297(13) 0.0495(17) Uani 1 1 d . . . . .
H18_18 H 0.4219 0.2246 0.7959 0.059 Uiso 1 1 calc R U . . .
C19_18 C 0.4446(2) 0.2800(2) 0.78251(12) 0.0409(15) Uani 1 1 d . . . . .
H19_18 H 0.4696 0.2652 0.7945 0.049 Uiso 1 1 calc R U . . .
C20_18 C 0.3542(3) 0.2486(3) 0.76546(17) 0.062(2) Uani 1 1 d . . . . .
C21_18 C 0.4398(2) 0.4846(2) 0.76302(11) 0.0348(14) Uani 1 1 d . . . . .
C22_18 C 0.4577(2) 0.5061(2) 0.77493(12) 0.0418(15) Uani 1 1 d . . . . .
H22_18 H 0.4878 0.4860 0.7833 0.050 Uiso 1 1 calc R U . . .
C23_18 C 0.4319(2) 0.5569(2) 0.77475(12) 0.0415(16) Uani 1 1 d . . . . .
H23_18 H 0.4443 0.5711 0.7833 0.050 Uiso 1 1 calc R U . . .
C24_18 C 0.3893(2) 0.5867(2) 0.76258(12) 0.0396(15) Uani 1 1 d D . . . .
C25_18 C 0.3699(2) 0.5664(2) 0.74996(13) 0.0489(17) Uani 1 1 d . . . . .
H25_18 H 0.3403 0.5868 0.7412 0.059 Uiso 1 1 calc R U . . .
C26_18 C 0.3966(2) 0.5144(2) 0.75102(13) 0.0467(17) Uani 1 1 d . . . . .
H26_18 H 0.3841 0.4995 0.7431 0.056 Uiso 1 1 calc R U . . .
C27_18 C 0.3600(2) 0.6420(2) 0.76162(15) 0.0488(17) Uani 1 1 d . . . . .
O1_18 O 0.77110(14) 0.19465(14) 0.77930(8) 0.0441(10) Uani 1 1 d . . . . .
H1A_18 H 0.8017 0.1830 0.7795 0.066 Uiso 1 1 calc DR U . . .
O2_18 O 0.77693(15) 0.26478(14) 0.75743(8) 0.0495(11) Uani 1 1 d . . . . .
O3_18 O 0.3257(2) 0.26511(18) 0.74650(11) 0.0770(16) Uani 1 1 d . . . . .
H3A_18 H 0.3132 0.2457 0.7484 0.115 Uiso 1 1 calc DR U . . .
O4_18 O 0.35857(16) 0.21070(16) 0.78381(10) 0.0630(13) Uani 1 1 d . . . . .
O5_18 O 0.37467(16) 0.65824(14) 0.77765(9) 0.0576(12) Uani 1 1 d . . . . .
O6_18 O 0.32301(18) 0.66827(16) 0.74868(10) 0.0650(14) Uani 1 1 d . . . . .
H6A_18 H 0.3089 0.6973 0.7516 0.097 Uiso 1 1 calc DR U . . .
C1_19 C -0.0015(2) 0.71773(19) 0.61485(13) 0.0403(16) Uani 1 1 d . . . . .
C2_19 C 0.0084(2) 0.6810(2) 0.60186(12) 0.0358(14) Uani 1 1 d . . . . .
H2_19 H -0.0008 0.6551 0.6111 0.043 Uiso 1 1 calc R U . . .
C3_19 C 0.0316(2) 0.67998(19) 0.57557(12) 0.0328(14) Uani 1 1 d . . . . .
C4_19 C 0.0448(2) 0.7181(2) 0.56257(13) 0.0420(16) Uani 1 1 d . . . . .
H4_19 H 0.0607 0.7179 0.5448 0.050 Uiso 1 1 calc R U . . .
C5_19 C 0.0358(2) 0.7564(2) 0.57447(13) 0.0434(16) Uani 1 1 d . . . . .
C6_19 C 0.0126(2) 0.7551(2) 0.60098(12) 0.0367(14) Uani 1 1 d . . . . .
H6_19 H 0.0063 0.7806 0.6097 0.044 Uiso 1 1 calc R U . . .
C7_19 C -0.0275(2) 0.71857(19) 0.64258(11) 0.0325(14) Uani 1 1 d . . . . .
C8_19 C -0.0585(2) 0.6963(2) 0.65149(12) 0.0388(15) Uani 1 1 d . . . . .
H8_19 H -0.0631 0.6806 0.6399 0.047 Uiso 1 1 calc R U . . .
C9_19 C -0.0828(2) 0.6965(2) 0.67710(13) 0.0462(17) Uani 1 1 d . . . . .
H9_19 H -0.1021 0.6788 0.6835 0.055 Uiso 1 1 calc R U . . .
C10_19 C -0.0791(2) 0.72252(19) 0.69352(12) 0.0385(15) Uani 1 1 d D . . . .
C11_19 C -0.0486(2) 0.7453(2) 0.68458(13) 0.0468(17) Uani 1 1 d . . . . .
H11_19 H -0.0447 0.7620 0.6959 0.056 Uiso 1 1 calc R U . . .
C12_19 C -0.0237(2) 0.74390(19) 0.65910(12) 0.0363(15) Uani 1 1 d . . . . .
H12_19 H -0.0036 0.7606 0.6528 0.044 Uiso 1 1 calc R U . . .
C13_19 C -0.1062(2) 0.7226(2) 0.72031(13) 0.0396(16) Uani 1 1 d . . . . .
C14_19 C 0.0432(2) 0.6391(2) 0.56190(13) 0.0381(15) Uani 1 1 d . . . . .
C15_19 C 0.0460(2) 0.6480(2) 0.53445(13) 0.0459(16) Uani 1 1 d . . . . .
H15_19 H 0.0412 0.6805 0.5240 0.055 Uiso 1 1 calc R U . . .
C16_19 C 0.0557(2) 0.6110(2) 0.52121(13) 0.0457(16) Uani 1 1 d . . . . .
H16_19 H 0.0550 0.6187 0.5022 0.055 Uiso 1 1 calc R U . . .
C17_19 C 0.0666(2) 0.5624(2) 0.53656(14) 0.0488(17) Uani 1 1 d D . . . .
C18_19 C 0.0654(2) 0.5533(2) 0.56371(12) 0.0416(16) Uani 1 1 d . . . . .
H18_19 H 0.0734 0.5200 0.5739 0.050 Uiso 1 1 calc R U . . .
C19_19 C 0.0529(2) 0.5901(2) 0.57740(13) 0.0478(17) Uani 1 1 d . . . . .
H19_19 H 0.0510 0.5828 0.5966 0.057 Uiso 1 1 calc R U . . .
C20_19 C 0.0776(2) 0.5234(2) 0.52234(15) 0.0463(17) Uani 1 1 d . . . . .
C21_19 C 0.0501(2) 0.7966(2) 0.56045(12) 0.0409(16) Uani 1 1 d . . . . .
C22_19 C 0.0731(2) 0.8114(2) 0.57351(13) 0.0408(15) Uani 1 1 d . . . . .
H22_19 H 0.0791 0.7959 0.5920 0.049 Uiso 1 1 calc R U . . .
C23_19 C 0.0877(2) 0.8489(2) 0.55996(13) 0.0506(17) Uani 1 1 d . . . . .
H23_19 H 0.1037 0.8589 0.5689 0.061 Uiso 1 1 calc R U . . .
C24_19 C 0.0782(3) 0.8708(2) 0.53312(14) 0.0525(18) Uani 1 1 d D . . . .
C25_19 C 0.0544(2) 0.8569(2) 0.51943(12) 0.0465(17) Uani 1 1 d . . . . .
H25_19 H 0.0482 0.8722 0.5010 0.056 Uiso 1 1 calc R U . . .
C26_19 C 0.0402(2) 0.8195(2) 0.53410(13) 0.0492(17) Uani 1 1 d . . . . .
H26_19 H 0.0233 0.8099 0.5255 0.059 Uiso 1 1 calc R U . . .
C27_19 C 0.0943(3) 0.9099(2) 0.51939(14) 0.0526(18) Uani 1 1 d . . . . .
O1_19 O -0.13483(16) 0.70339(16) 0.72722(8) 0.0503(12) Uani 1 1 d . . . . .
O2_19 O -0.10016(15) 0.74599(14) 0.73538(8) 0.0454(11) Uani 1 1 d . . . . .
H2A_19 H -0.1166 0.7436 0.7504 0.068 Uiso 1 1 calc DR U . . .
O3_19 O 0.0728(2) 0.53440(16) 0.49761(10) 0.0784(17) Uani 1 1 d . . . . .
H3A_19 H 0.0779 0.5088 0.4928 0.118 Uiso 1 1 calc DR U . . .
O4_19 O 0.09499(16) 0.47751(14) 0.53690(8) 0.0521(12) Uani 1 1 d . . . . .
O5_19 O 0.1205(2) 0.91835(18) 0.52987(10) 0.0743(15) Uani 1 1 d . . . . .
O6_19 O 0.0817(2) 0.93281(18) 0.49489(9) 0.0721(15) Uani 1 1 d . . . . .
H6A_19 H 0.0954 0.9515 0.4879 0.108 Uiso 1 1 calc DR U . . .
C1_20 C 0.1354(2) 0.6305(2) 0.61583(12) 0.0377(15) Uani 1 1 d . . . . .
C2_20 C 0.1475(2) 0.5922(2) 0.60239(12) 0.0389(15) Uani 1 1 d . . . . .
H2_20 H 0.1407 0.5646 0.6117 0.047 Uiso 1 1 calc R U . . .
C3_20 C 0.1682(2) 0.59360(19) 0.57673(12) 0.0336(14) Uani 1 1 d . . . . .
C4_20 C 0.1807(2) 0.6317(2) 0.56338(12) 0.0398(15) Uani 1 1 d . . . . .
H4_20 H 0.1972 0.6312 0.5458 0.048 Uiso 1 1 calc R U . . .
C5_20 C 0.1696(2) 0.6707(2) 0.57521(13) 0.0397(15) Uani 1 1 d . . . . .
C6_20 C 0.1481(2) 0.6688(2) 0.60142(13) 0.0392(15) Uani 1 1 d . . . . .
H6_20 H 0.1418 0.6945 0.6100 0.047 Uiso 1 1 calc R U . . .
C7_20 C 0.1094(2) 0.6313(2) 0.64401(12) 0.0386(15) Uani 1 1 d . . . . .
C8_20 C 0.0815(2) 0.6055(2) 0.65317(12) 0.0414(16) Uani 1 1 d . . . . .
H8_20 H 0.0784 0.5881 0.6420 0.050 Uiso 1 1 calc R U . . .
C9_20 C 0.0582(3) 0.6057(2) 0.67920(13) 0.0488(17) Uani 1 1 d . . . . .
H9_20 H 0.0402 0.5868 0.6861 0.059 Uiso 1 1 calc R U . . .
C10_20 C 0.0605(2) 0.6327(2) 0.69553(12) 0.0401(15) Uani 1 1 d D . . . .
C11_20 C 0.0877(2) 0.6580(2) 0.68586(13) 0.0438(16) Uani 1 1 d . . . . .
H11_20 H 0.0902 0.6763 0.6967 0.053 Uiso 1 1 calc R U . . .
C12_20 C 0.1126(2) 0.6572(2) 0.65973(13) 0.0447(16) Uani 1 1 d . . . . .
H12_20 H 0.1317 0.6750 0.6531 0.054 Uiso 1 1 calc R U . . .
C13_20 C 0.0319(2) 0.6348(2) 0.72168(13) 0.0456(17) Uani 1 1 d . . . . .
C14_20 C 0.1804(2) 0.5524(2) 0.56270(13) 0.0384(15) Uani 1 1 d . . . . .
C15_20 C 0.1792(2) 0.5623(2) 0.53549(12) 0.0381(15) Uani 1 1 d . . . . .
H15_20 H 0.1706 0.5956 0.5251 0.046 Uiso 1 1 calc R U . . .
C16_20 C 0.1902(2) 0.5244(2) 0.52262(14) 0.0462(17) Uani 1 1 d . . . . .
H16_20 H 0.1884 0.5318 0.5037 0.055 Uiso 1 1 calc R U . . .
C17_20 C 0.2040(2) 0.4753(2) 0.53799(12) 0.0436(16) Uani 1 1 d D . . . .
C18_20 C 0.2035(2) 0.4650(2) 0.56588(12) 0.0434(16) Uani 1 1 d . . . . .
H18_20 H 0.2107 0.4319 0.5761 0.052 Uiso 1 1 calc R U . . .
C19_20 C 0.1926(2) 0.5022(2) 0.57902(13) 0.0483(17) Uani 1 1 d . . . . .
H19_20 H 0.1931 0.4949 0.5981 0.058 Uiso 1 1 calc R U . . .
C20_20 C 0.2150(3) 0.4346(2) 0.52425(15) 0.058(2) Uani 1 1 d . . . . .
C21_20 C 0.1827(2) 0.7120(2) 0.56026(14) 0.0471(17) Uani 1 1 d . . . . .
C22_20 C 0.2038(2) 0.7298(2) 0.57351(13) 0.0449(16) Uani 1 1 d . . . . .
H22_20 H 0.2093 0.7154 0.5921 0.054 Uiso 1 1 calc R U . . .
C23_20 C 0.2165(2) 0.7670(2) 0.56028(13) 0.0462(16) Uani 1 1 d . . . . .
H23_20 H 0.2303 0.7788 0.5695 0.055 Uiso 1 1 calc R U . . .
C24_20 C 0.2090(2) 0.7881(2) 0.53269(14) 0.0493(17) Uani 1 1 d D . . . .
C25_20 C 0.1890(2) 0.7703(2) 0.51883(15) 0.0556(19) Uani 1 1 d . . . . .
H25_20 H 0.1855 0.7830 0.5000 0.067 Uiso 1 1 calc R U . . .
C26_20 C 0.1747(2) 0.7340(2) 0.53345(13) 0.0455(16) Uani 1 1 d . . . . .
H26_20 H 0.1587 0.7237 0.5247 0.055 Uiso 1 1 calc R U . . .
C27_20 C 0.2249(3) 0.8259(3) 0.51835(16) 0.064(2) Uani 1 1 d . . . . .
O1_20 O 0.00565(17) 0.61225(17) 0.72972(9) 0.0560(12) Uani 1 1 d . . . . .
H1A_20 H -0.0073 0.6158 0.7454 0.084 Uiso 0.49(7) 1 calc DR U P A 1
O2_20 O 0.03449(17) 0.66112(17) 0.73597(9) 0.0569(12) Uani 1 1 d . . . . .
H2A_20 H 0.0168 0.6598 0.7506 0.085 Uiso 0.51(7) 1 calc DR U P A 2
O3_20 O 0.21409(18) 0.44652(14) 0.49891(9) 0.0588(13) Uani 1 1 d . . . . .
H3A_20 H 0.2291 0.4204 0.4928 0.088 Uiso 1 1 calc DR U . . .
O4_20 O 0.22929(17) 0.38982(14) 0.53799(8) 0.0603(13) Uani 1 1 d . . . . .
O5_20 O 0.24763(19) 0.83792(19) 0.52943(10) 0.0767(15) Uani 1 1 d . . . . .
O6_20 O 0.21584(19) 0.84700(18) 0.49309(10) 0.0708(14) Uani 1 1 d . . . . .
H6A_20 H 0.2262 0.8687 0.4873 0.106 Uiso 1 1 calc DR U . . .
C1_21 C 0.2692(2) 0.5457(2) 0.62077(12) 0.0346(14) Uani 1 1 d . . . . .
C2_21 C 0.2810(2) 0.5077(2) 0.60765(12) 0.0397(15) Uani 1 1 d . . . . .
H2_21 H 0.2735 0.4807 0.6168 0.048 Uiso 1 1 calc R U . . .
C3_21 C 0.3032(2) 0.5089(2) 0.58205(12) 0.0389(15) Uani 1 1 d . . . . .
C4_21 C 0.3157(2) 0.5475(2) 0.56828(13) 0.0466(17) Uani 1 1 d . . . . .
H4_21 H 0.3325 0.5474 0.5507 0.056 Uiso 1 1 calc R U . . .
C5_21 C 0.3031(2) 0.5865(2) 0.58087(14) 0.0427(16) Uani 1 1 d . . . . .
C6_21 C 0.2795(2) 0.5851(2) 0.60684(13) 0.0386(15) Uani 1 1 d . . . . .
H6_21 H 0.2703 0.6119 0.6152 0.046 Uiso 1 1 calc R U . . .
C7_21 C 0.2435(2) 0.5451(2) 0.64896(12) 0.0393(15) Uani 1 1 d . . . . .
C8_21 C 0.2143(2) 0.5203(2) 0.65810(13) 0.0487(17) Uani 1 1 d . . . . .
H8_21 H 0.2106 0.5038 0.6466 0.058 Uiso 1 1 calc R U . . .
C9_21 C 0.1905(2) 0.5194(2) 0.68410(13) 0.0484(17) Uani 1 1 d . . . . .
H9_21 H 0.1731 0.4998 0.6910 0.058 Uiso 1 1 calc R U . . .
C10_21 C 0.1924(2) 0.5481(2) 0.70020(13) 0.0403(15) Uani 1 1 d D . . . .
C11_21 C 0.2199(2) 0.5736(2) 0.69088(13) 0.0493(17) Uani 1 1 d . . . . .
H11_21 H 0.2221 0.5919 0.7018 0.059 Uiso 1 1 calc R U . . .
C12_21 C 0.2452(2) 0.5725(2) 0.66476(13) 0.0462(17) Uani 1 1 d . . . . .
H12_21 H 0.2637 0.5909 0.6581 0.055 Uiso 1 1 calc R U . . .
C13_21 C 0.1645(2) 0.5511(2) 0.72677(15) 0.0499(18) Uani 1 1 d . . . . .
C14_21 C 0.3164(2) 0.4664(2) 0.56825(13) 0.0368(15) Uani 1 1 d . . . . .
C15_21 C 0.3150(2) 0.4772(2) 0.54057(13) 0.0419(15) Uani 1 1 d . . . . .
H15_21 H 0.3071 0.5104 0.5302 0.050 Uiso 1 1 calc R U . . .
C16_21 C 0.3252(2) 0.4391(2) 0.52787(13) 0.0460(16) Uani 1 1 d . . . . .
H16_21 H 0.3220 0.4468 0.5091 0.055 Uiso 1 1 calc R U . . .
C17_21 C 0.3404(2) 0.3892(2) 0.54315(14) 0.0456(16) Uani 1 1 d D . . . .
C18_21 C 0.3401(2) 0.3805(2) 0.57019(13) 0.0458(16) Uani 1 1 d . . . . .
H18_21 H 0.3476 0.3474 0.5807 0.055 Uiso 1 1 calc R U . . .
C19_21 C 0.3293(2) 0.4180(2) 0.58351(13) 0.0455(16) Uani 1 1 d . . . . .
H19_21 H 0.3308 0.4103 0.6025 0.055 Uiso 1 1 calc R U . . .
C20_21 C 0.3506(2) 0.3498(2) 0.52924(15) 0.0488(17) Uani 1 1 d . . . . .
C21_21 C 0.3171(2) 0.6271(2) 0.56666(13) 0.0400(15) Uani 1 1 d . . . . .
C22_21 C 0.3345(2) 0.6468(2) 0.58091(13) 0.0457(16) Uani 1 1 d . . . . .
H22_21 H 0.3385 0.6328 0.5997 0.055 Uiso 1 1 calc R U . . .
C23_21 C 0.3455(2) 0.6851(2) 0.56845(13) 0.0468(16) Uani 1 1 d . . . . .
H23_21 H 0.3566 0.6980 0.5786 0.056 Uiso 1 1 calc R U . . .
C24_21 C 0.3408(2) 0.7066(2) 0.54009(13) 0.0480(17) Uani 1 1 d D . . . .
C25_21 C 0.3246(2) 0.6863(2) 0.52554(12) 0.0441(16) Uani 1 1 d . . . . .
H25_21 H 0.3235 0.6982 0.5065 0.053 Uiso 1 1 calc R U . . .
C26_21 C 0.3106(2) 0.6496(2) 0.53866(13) 0.0431(16) Uani 1 1 d . . . . .
H26_21 H 0.2963 0.6389 0.5290 0.052 Uiso 1 1 calc R U . . .
C27_21 C 0.3569(3) 0.7453(2) 0.52678(15) 0.0550(18) Uani 1 1 d . . . . .
O1_21 O 0.13895(17) 0.52615(16) 0.73522(8) 0.0532(12) Uani 1 1 d . . . . .
O2_21 O 0.16702(18) 0.57665(17) 0.74021(9) 0.0563(12) Uani 1 1 d . . . . .
H2A_21 H 0.1472 0.5779 0.7541 0.085 Uiso 1 1 calc DR U . . .
O3_21 O 0.34692(18) 0.36293(15) 0.50375(10) 0.0595(13) Uani 1 1 d . . . . .
H3A_21 H 0.3591 0.3371 0.4975 0.089 Uiso 1 1 calc DR U . . .
O4_21 O 0.36649(18) 0.30470(15) 0.54289(9) 0.0639(13) Uani 1 1 d . . . . .
O5_21 O 0.37283(18) 0.76104(17) 0.54048(9) 0.0663(14) Uani 1 1 d . . . . .
O6_21 O 0.3503(2) 0.76334(19) 0.50165(9) 0.0738(15) Uani 1 1 d . . . . .
H6A_21 H 0.3562 0.7883 0.4962 0.111 Uiso 1 1 calc DR U . . .
C1_22 C 0.4068(2) 0.4652(2) 0.62376(13) 0.0421(16) Uani 1 1 d . . . . .
C2_22 C 0.4187(2) 0.4293(2) 0.60940(11) 0.0404(15) Uani 1 1 d . . . . .
H2_22 H 0.4114 0.4019 0.6179 0.049 Uiso 1 1 calc R U . . .
C3_22 C 0.4408(2) 0.4315(2) 0.58334(13) 0.0454(16) Uani 1 1 d . . . . .
C4_22 C 0.4536(2) 0.4705(2) 0.57148(12) 0.0398(15) Uani 1 1 d . . . . .
H4_22 H 0.4721 0.4704 0.5544 0.048 Uiso 1 1 calc R U . . .
C5_22 C 0.4403(2) 0.5088(2) 0.58379(12) 0.0430(16) Uani 1 1 d . . . . .
C6_22 C 0.4186(2) 0.5042(2) 0.61007(13) 0.0421(16) Uani 1 1 d . . . . .
H6_22 H 0.4112 0.5294 0.6193 0.050 Uiso 1 1 calc R U . . .
C7_22 C 0.3814(2) 0.4633(2) 0.65190(12) 0.0386(15) Uani 1 1 d . . . . .
C8_22 C 0.3538(2) 0.4367(2) 0.66128(12) 0.0413(15) Uani 1 1 d . . . . .
H8_22 H 0.3528 0.4177 0.6504 0.050 Uiso 1 1 calc R U . . .
C9_22 C 0.3278(3) 0.4381(2) 0.68662(13) 0.0490(17) Uani 1 1 d . . . . .
H9_22 H 0.3093 0.4196 0.6931 0.059 Uiso 1 1 calc R U . . .
C10_22 C 0.3288(2) 0.4671(2) 0.70275(13) 0.0475(17) Uani 1 1 d D . . . .
C11_22 C 0.3583(2) 0.4923(2) 0.69297(13) 0.0468(17) Uani 1 1 d . . . . .
H11_22 H 0.3599 0.5113 0.7037 0.056 Uiso 1 1 calc R U . . .
C12_22 C 0.3841(2) 0.4900(2) 0.66874(13) 0.0441(16) Uani 1 1 d . . . . .
H12_22 H 0.4045 0.5065 0.6628 0.053 Uiso 1 1 calc R U . . .
C13_22 C 0.3013(2) 0.4708(2) 0.72891(14) 0.0448(16) Uani 1 1 d . . . . .
C14_22 C 0.4549(2) 0.3892(2) 0.56972(13) 0.0483(17) Uani 1 1 d . . . . .
C15_22 C 0.4507(2) 0.4012(2) 0.54201(13) 0.0461(17) Uani 1 1 d . . . . .
H15_22 H 0.4408 0.4350 0.5320 0.055 Uiso 1 1 calc R U . . .
C16_22 C 0.4611(2) 0.3639(2) 0.52908(14) 0.0483(17) Uani 1 1 d . . . . .
H16_22 H 0.4591 0.3716 0.5101 0.058 Uiso 1 1 calc R U . . .
C17_22 C 0.4745(3) 0.3145(3) 0.54444(15) 0.0573(19) Uani 1 1 d D . . . .
C18_22 C 0.4770(3) 0.3025(3) 0.57162(16) 0.070(2) Uani 1 1 d . . . . .
H18_22 H 0.4862 0.2689 0.5817 0.084 Uiso 1 1 calc R U . . .
C19_22 C 0.4660(3) 0.3401(3) 0.58404(16) 0.074(2) Uani 1 1 d . . . . .
H19_22 H 0.4659 0.3324 0.6032 0.089 Uiso 1 1 calc R U . . .
C20_22 C 0.4874(3) 0.2733(2) 0.53018(16) 0.062(2) Uani 1 1 d . . . . .
C21_22 C 0.4522(2) 0.5507(2) 0.57123(12) 0.0376(15) Uani 1 1 d . . . . .
C22_22 C 0.4629(2) 0.5737(2) 0.58700(13) 0.0413(15) Uani 1 1 d . . . . .
H22_22 H 0.4629 0.5612 0.6060 0.050 Uiso 1 1 calc R U . . .
C23_22 C 0.4733(2) 0.6132(2) 0.57556(13) 0.0455(16) Uani 1 1 d . . . . .
H23_22 H 0.4816 0.6272 0.5865 0.055 Uiso 1 1 calc R U . . .
C24_22 C 0.4717(2) 0.6331(2) 0.54793(14) 0.0474(17) Uani 1 1 d D . . . .
C25_22 C 0.4592(2) 0.6132(2) 0.53168(14) 0.0529(18) Uani 1 1 d . . . . .
H25_22 H 0.4573 0.6273 0.5128 0.064 Uiso 1 1 calc R U . . .
C26_22 C 0.4496(2) 0.5718(2) 0.54362(13) 0.0487(17) Uani 1 1 d . . . . .
H26_22 H 0.4411 0.5580 0.5327 0.058 Uiso 1 1 calc R U . . .
C27_22 C 0.4826(3) 0.6760(3) 0.53472(15) 0.062(2) Uani 1 1 d . . . . .
O1_22 O 0.27535(16) 0.44581(16) 0.73683(8) 0.0504(11) Uani 1 1 d . . . . .
H1A_22 H 0.2628 0.4479 0.7527 0.076 Uiso 1 1 calc DR U . . .
O2_22 O 0.30379(16) 0.49546(17) 0.74333(9) 0.0526(12) Uani 1 1 d . . . . .
O3_22 O 0.47990(18) 0.28785(16) 0.50502(10) 0.0606(13) Uani 1 1 d . . . . .
H3A_22 H 0.4884 0.2627 0.4987 0.091 Uiso 1 1 calc DR U . . .
O4_22 O 0.5017(2) 0.23015(17) 0.54317(10) 0.0873(18) Uani 1 1 d . . . . .
O5_22 O 0.49938(19) 0.69175(18) 0.54798(9) 0.0693(14) Uani 1 1 d . . . . .
O6_22 O 0.47727(19) 0.69307(18) 0.50914(10) 0.0719(14) Uani 1 1 d . . . . .
H6A_22 H 0.4896 0.7132 0.5028 0.108 Uiso 1 1 calc DR U . . .
C1_23 C 0.4070(2) 0.5840(2) 0.47205(11) 0.0387(15) Uani 1 1 d . . . . .
C2_23 C 0.4354(2) 0.6078(2) 0.46943(11) 0.0385(15) Uani 1 1 d . . . . .
H2_23 H 0.4199 0.6431 0.4681 0.046 Uiso 1 1 calc R U . . .
C3_23 C 0.4870(2) 0.5810(2) 0.46868(12) 0.0452(16) Uani 1 1 d . . . . .
C4_23 C 0.5102(2) 0.5296(2) 0.47126(12) 0.0474(17) Uani 1 1 d . . . . .
H4_23 H 0.5450 0.5115 0.4714 0.057 Uiso 1 1 calc R U . . .
C5_23 C 0.4823(2) 0.5040(2) 0.47367(12) 0.0413(15) Uani 1 1 d . . . . .
C6_23 C 0.4320(2) 0.5316(2) 0.47333(11) 0.0396(15) Uani 1 1 d . . . . .
H6_23 H 0.4132 0.5147 0.4740 0.048 Uiso 1 1 calc R U . . .
C7_23 C 0.3529(2) 0.6118(2) 0.47279(12) 0.0388(15) Uani 1 1 d . . . . .
C8_23 C 0.3294(3) 0.6638(2) 0.46181(13) 0.0495(17) Uani 1 1 d . . . . .
H8_23 H 0.3486 0.6811 0.4534 0.059 Uiso 1 1 calc R U . . .
C9_23 C 0.2780(2) 0.6903(2) 0.46317(11) 0.0429(16) Uani 1 1 d . . . . .
H9_23 H 0.2625 0.7260 0.4575 0.052 Uiso 1 1 calc R U . . .
C10_23 C 0.2500(2) 0.6649(2) 0.47270(13) 0.0455(16) Uani 1 1 d D . . . .
C11_23 C 0.2722(2) 0.6142(2) 0.48274(12) 0.0448(16) Uani 1 1 d . . . . .
H11_23 H 0.2528 0.5967 0.4897 0.054 Uiso 1 1 calc R U . . .
C12_23 C 0.3228(2) 0.5883(2) 0.48284(12) 0.0414(15) Uani 1 1 d . . . . .
H12_23 H 0.3376 0.5530 0.4901 0.050 Uiso 1 1 calc R U . . .
C13_23 C 0.1958(2) 0.6938(2) 0.47320(12) 0.0388(15) Uani 1 1 d . . . . .
C14_23 C 0.5167(2) 0.6079(2) 0.46634(12) 0.0400(15) Uani 1 1 d . . . . .
C15_23 C 0.5602(2) 0.5826(2) 0.47937(13) 0.0487(17) Uani 1 1 d . . . . .
H15_23 H 0.5690 0.5496 0.4903 0.058 Uiso 1 1 calc R U . . .
C16_23 C 0.5915(3) 0.6056(3) 0.47658(16) 0.067(2) Uani 1 1 d . . . . .
H16_23 H 0.6214 0.5882 0.4851 0.081 Uiso 1 1 calc R U . . .
C17_23 C 0.5765(2) 0.6535(2) 0.46120(14) 0.0526(18) Uani 1 1 d D . . . .
C18_23 C 0.5337(2) 0.6801(2) 0.44834(13) 0.0488(17) Uani 1 1 d . . . . .
H18_23 H 0.5245 0.7134 0.4379 0.059 Uiso 1 1 calc R U . . .
C19_23 C 0.5042(2) 0.6566(2) 0.45112(13) 0.0501(17) Uani 1 1 d . . . . .
H19_23 H 0.4746 0.6745 0.4423 0.060 Uiso 1 1 calc R U . . .
C20_23 C 0.6096(3) 0.6782(3) 0.45814(18) 0.072(2) Uani 1 1 d . . . . .
C21_23 C 0.5074(2) 0.4493(2) 0.47379(13) 0.0472(17) Uani 1 1 d . . . . .
C22_23 C 0.4923(2) 0.4299(2) 0.45961(13) 0.0496(17) Uani 1 1 d . . . . .
H22_23 H 0.4640 0.4514 0.4498 0.060 Uiso 1 1 calc R U . . .
C23_23 C 0.5166(2) 0.3804(2) 0.45902(12) 0.0449(16) Uani 1 1 d . . . . .
H23_23 H 0.5061 0.3681 0.4481 0.054 Uiso 1 1 calc R U . . .
C24_23 C 0.5573(2) 0.3469(2) 0.47445(14) 0.0497(17) Uani 1 1 d D . . . .
C25_23 C 0.5719(3) 0.3655(2) 0.49074(14) 0.0569(19) Uani 1 1 d . . . . .
H25_23 H 0.5976 0.3436 0.5023 0.068 Uiso 1 1 calc R U . . .
C26_23 C 0.5472(2) 0.4175(2) 0.48933(13) 0.0465(16) Uani 1 1 d . . . . .
H26_23 H 0.5579 0.4313 0.4992 0.056 Uiso 1 1 calc R U . . .
C27_23 C 0.5832(3) 0.2932(2) 0.47387(15) 0.0560(19) Uani 1 1 d . . . . .
O1_23 O 0.17485(15) 0.74055(14) 0.46414(8) 0.0448(11) Uani 1 1 d . . . . .
O2_23 O 0.17111(16) 0.66768(15) 0.48251(8) 0.0509(11) Uani 1 1 d . . . . .
H2A_23 H 0.1409 0.6871 0.4816 0.076 Uiso 1 1 calc DR U . . .
O3_23 O 0.6439(2) 0.65645(19) 0.47430(13) 0.098(2) Uani 1 1 d . . . . .
H3A_23 H 0.6567 0.6754 0.4729 0.148 Uiso 1 1 calc DR U . . .
O4_23 O 0.59973(16) 0.71959(16) 0.44211(10) 0.0682(14) Uani 1 1 d . . . . .
O5_23 O 0.57367(18) 0.27764(15) 0.45770(10) 0.0653(14) Uani 1 1 d . . . . .
O6_23 O 0.6152(2) 0.26424(18) 0.49189(12) 0.0907(18) Uani 1 1 d . . . . .
H6A_23 H 0.6286 0.2345 0.4900 0.136 Uiso 1 1 calc DR U . . .
C1_24 C 0.4736(2) 0.5806(2) 0.40053(12) 0.0425(16) Uani 1 1 d . . . . .
C2_24 C 0.5023(2) 0.6044(2) 0.39916(12) 0.0443(16) Uani 1 1 d . . . . .
H2_24 H 0.4866 0.6396 0.3981 0.053 Uiso 1 1 calc R U . . .
C3_24 C 0.5546(2) 0.5770(2) 0.39933(11) 0.0363(14) Uani 1 1 d . . . . .
C4_24 C 0.5771(2) 0.5256(2) 0.40157(12) 0.0405(15) Uani 1 1 d . . . . .
H4_24 H 0.6118 0.5074 0.4021 0.049 Uiso 1 1 calc R U . . .
C5_24 C 0.5506(2) 0.4999(2) 0.40303(12) 0.0415(16) Uani 1 1 d . . . . .
C6_24 C 0.4995(2) 0.5282(2) 0.40175(11) 0.0408(15) Uani 1 1 d . . . . .
H6_24 H 0.4811 0.5113 0.4017 0.049 Uiso 1 1 calc R U . . .
C7_24 C 0.4201(2) 0.6086(2) 0.39991(13) 0.0419(16) Uani 1 1 d . . . . .
C8_24 C 0.3959(2) 0.6612(2) 0.39123(12) 0.0422(16) Uani 1 1 d . . . . .
H8_24 H 0.4149 0.6791 0.3849 0.051 Uiso 1 1 calc R U . . .
C9_24 C 0.3446(3) 0.6880(3) 0.39159(11) 0.0463(17) Uani 1 1 d . . . . .
H9_24 H 0.3293 0.7237 0.3861 0.056 Uiso 1 1 calc R U . . .
C10_24 C 0.3166(2) 0.6631(2) 0.39975(12) 0.0425(16) Uani 1 1 d D . . . .
C11_24 C 0.3406(3) 0.6091(2) 0.40939(13) 0.0484(17) Uani 1 1 d . . . . .
H11_24 H 0.3215 0.5913 0.4159 0.058 Uiso 1 1 calc R U . . .
C12_24 C 0.3896(3) 0.5840(2) 0.40928(12) 0.0467(17) Uani 1 1 d . . . . .
H12_24 H 0.4045 0.5485 0.4157 0.056 Uiso 1 1 calc R U . . .
C13_24 C 0.2629(3) 0.6899(3) 0.40101(14) 0.0546(19) Uani 1 1 d . . . . .
C14_24 C 0.5840(2) 0.6040(2) 0.39729(13) 0.0437(16) Uani 1 1 d . . . . .
C15_24 C 0.6261(2) 0.5808(2) 0.41146(14) 0.0523(18) Uani 1 1 d . . . . .
H15_24 H 0.6353 0.5481 0.4228 0.063 Uiso 1 1 calc R U . . .
C16_24 C 0.6542(3) 0.6049(2) 0.40908(15) 0.062(2) Uani 1 1 d . . . . .
H16_24 H 0.6834 0.5883 0.4182 0.075 Uiso 1 1 calc R U . . .
C17_24 C 0.6397(3) 0.6540(2) 0.39311(14) 0.0537(18) Uani 1 1 d D . . . .
C18_24 C 0.5974(2) 0.6775(2) 0.37952(14) 0.0505(18) Uani 1 1 d . . . . .
H18_24 H 0.5879 0.7107 0.3689 0.061 Uiso 1 1 calc R U . . .
C19_24 C 0.5687(2) 0.6542(2) 0.38090(12) 0.0433(16) Uani 1 1 d . . . . .
H19_24 H 0.5400 0.6708 0.3714 0.052 Uiso 1 1 calc R U . . .
C20_24 C 0.6703(3) 0.6798(3) 0.39045(17) 0.067(2) Uani 1 1 d . . . . .
C21_24 C 0.5753(2) 0.4449(2) 0.40498(13) 0.0434(16) Uani 1 1 d . . . . .
C22_24 C 0.5594(2) 0.4240(2) 0.39048(12) 0.0396(15) Uani 1 1 d . . . . .
H22_24 H 0.5317 0.4449 0.3801 0.048 Uiso 1 1 calc R U . . .
C23_24 C 0.5838(2) 0.3740(2) 0.39149(12) 0.0453(16) Uani 1 1 d . . . . .
H23_24 H 0.5734 0.3599 0.3816 0.054 Uiso 1 1 calc R U . . .
C24_24 C 0.6246(2) 0.3424(2) 0.40706(14) 0.0474(17) Uani 1 1 d D . . . .
C25_24 C 0.6396(2) 0.3630(2) 0.42156(13) 0.0485(17) Uani 1 1 d . . . . .
H25_24 H 0.6670 0.3421 0.4321 0.058 Uiso 1 1 calc R U . . .
C26_24 C 0.6142(2) 0.4148(2) 0.42053(13) 0.0444(16) Uani 1 1 d . . . . .
H26_24 H 0.6239 0.4290 0.4306 0.053 Uiso 1 1 calc R U . . .
C27_24 C 0.6506(3) 0.2869(2) 0.40713(15) 0.0508(18) Uani 1 1 d . . . . .
O1_24 O 0.24167(17) 0.73902(19) 0.39437(10) 0.0682(14) Uani 1 1 d . . . . .
O2_24 O 0.23783(17) 0.66515(18) 0.40947(10) 0.0689(14) Uani 1 1 d . . . . .
H2A_24 H 0.2077 0.6853 0.4105 0.103 Uiso 1 1 calc DR U . . .
O3_24 O 0.7058(2) 0.65818(19) 0.40403(13) 0.095(2) Uani 1 1 d . . . . .
H3A_24 H 0.7173 0.6781 0.4031 0.142 Uiso 1 1 calc DR U . . .
O4_24 O 0.65687(17) 0.72320(16) 0.37552(11) 0.0728(15) Uani 1 1 d . . . . .
O5_24 O 0.63798(16) 0.27121(14) 0.39303(9) 0.0560(12) Uani 1 1 d . . . . .
O6_24 O 0.68618(18) 0.26000(16) 0.42358(10) 0.0630(13) Uani 1 1 d . . . . .
H6A_24 H 0.6963 0.2292 0.4246 0.095 Uiso 1 1 calc DR U . . .
C1_25 C 0.5342(2) 0.5728(2) 0.33025(11) 0.0380(15) Uani 1 1 d . . . . .
C2_25 C 0.5629(3) 0.5978(2) 0.32834(11) 0.0415(16) Uani 1 1 d . . . . .
H2_25 H 0.5463 0.6331 0.3267 0.050 Uiso 1 1 calc R U . . .
C3_25 C 0.6113(2) 0.5749(2) 0.32872(12) 0.0387(15) Uani 1 1 d . . . . .
C4_25 C 0.6367(2) 0.5232(2) 0.33084(13) 0.0505(18) Uani 1 1 d . . . . .
H4_25 H 0.6715 0.5062 0.3309 0.061 Uiso 1 1 calc R U . . .
C5_25 C 0.6099(2) 0.4961(2) 0.33285(12) 0.0394(15) Uani 1 1 d . . . . .
C6_25 C 0.5599(2) 0.5222(2) 0.33222(12) 0.0396(15) Uani 1 1 d . . . . .
H6_25 H 0.5422 0.5041 0.3332 0.048 Uiso 1 1 calc R U . . .
C7_25 C 0.4796(2) 0.5999(2) 0.33091(12) 0.0378(15) Uani 1 1 d . . . . .
C8_25 C 0.4556(2) 0.6524(2) 0.32149(12) 0.0427(16) Uani 1 1 d . . . . .
H8_25 H 0.4740 0.6709 0.3146 0.051 Uiso 1 1 calc R U . . .
C9_25 C 0.4039(3) 0.6770(3) 0.32234(13) 0.0549(19) Uani 1 1 d . . . . .
H9_25 H 0.3873 0.7127 0.3168 0.066 Uiso 1 1 calc R U . . .
C10_25 C 0.3770(2) 0.6507(3) 0.33093(13) 0.0481(17) Uani 1 1 d D . . . .
C11_25 C 0.4014(2) 0.5985(2) 0.33961(12) 0.0455(16) Uani 1 1 d . . . . .
H11_25 H 0.3831 0.5797 0.3460 0.055 Uiso 1 1 calc R U . . .
C12_25 C 0.4518(2) 0.5743(2) 0.33891(12) 0.0435(16) Uani 1 1 d . . . . .
H12_25 H 0.4681 0.5386 0.3441 0.052 Uiso 1 1 calc R U . . .
C13_25 C 0.3231(3) 0.6774(3) 0.33195(14) 0.0512(18) Uani 1 1 d . . . . .
C14_25 C 0.6403(2) 0.6022(2) 0.32663(12) 0.0437(16) Uani 1 1 d . . . . .
C15_25 C 0.6812(2) 0.5800(2) 0.34187(12) 0.0438(16) Uani 1 1 d . . . . .
H15_25 H 0.6911 0.5470 0.3530 0.053 Uiso 1 1 calc R U . . .
C16_25 C 0.7069(3) 0.6064(2) 0.34057(14) 0.0552(19) Uani 1 1 d . . . . .
H16_25 H 0.7338 0.5925 0.3512 0.066 Uiso 1 1 calc R U . . .
C17_25 C 0.6920(2) 0.6555(2) 0.32268(14) 0.0504(18) Uani 1 1 d D . . . .
C18_25 C 0.6537(2) 0.6762(2) 0.30808(14) 0.0500(18) Uani 1 1 d . . . . .
H18_25 H 0.6447 0.7086 0.2964 0.060 Uiso 1 1 calc R U . . .
C19_25 C 0.6263(2) 0.6502(2) 0.30988(13) 0.0511(17) Uani 1 1 d . . . . .
H19_25 H 0.5985 0.6653 0.2998 0.061 Uiso 1 1 calc R U . . .
C20_25 C 0.7210(3) 0.6833(2) 0.32103(16) 0.062(2) Uani 1 1 d . . . . .
C21_25 C 0.6375(2) 0.4406(2) 0.33501(12) 0.0361(15) Uani 1 1 d . . . . .
C22_25 C 0.6223(2) 0.4185(2) 0.32090(12) 0.0376(15) Uani 1 1 d . . . . .
H22_25 H 0.5952 0.4390 0.3101 0.045 Uiso 1 1 calc R U . . .
C23_25 C 0.6468(2) 0.3671(2) 0.32275(13) 0.0467(17) Uani 1 1 d . . . . .
H23_25 H 0.6360 0.3526 0.3134 0.056 Uiso 1 1 calc R U . . .
C24_25 C 0.6871(2) 0.3363(2) 0.33810(14) 0.0504(18) Uani 1 1 d D . . . .
C25_25 C 0.7015(2) 0.3582(2) 0.35173(12) 0.0422(16) Uani 1 1 d . . . . .
H25_25 H 0.7285 0.3377 0.3626 0.051 Uiso 1 1 calc R U . . .
C26_25 C 0.6774(2) 0.4096(2) 0.34994(13) 0.0443(16) Uani 1 1 d . . . . .
H26_25 H 0.6887 0.4238 0.3592 0.053 Uiso 1 1 calc R U . . .
C27_25 C 0.7138(3) 0.2813(2) 0.33915(16) 0.0514(19) Uani 1 1 d . . . . .
O1_25 O 0.30157(16) 0.72654(17) 0.32463(9) 0.0565(12) Uani 1 1 d . . . . .
O2_25 O 0.29840(17) 0.65276(18) 0.34053(9) 0.0599(13) Uani 1 1 d . . . . .
H2A_25 H 0.2686 0.6726 0.3433 0.090 Uiso 1 1 calc DR U . . .
O3_25 O 0.75748(19) 0.66060(17) 0.33719(11) 0.0784(16) Uani 1 1 d . . . . .
H3A_25 H 0.7728 0.6778 0.3341 0.118 Uiso 1 1 calc DR U . . .
O4_25 O 0.71119(18) 0.72437(15) 0.30476(10) 0.0686(14) Uani 1 1 d . . . . .
O5_25 O 0.69923(17) 0.26522(15) 0.32516(10) 0.0625(13) Uani 1 1 d . . . . .
O6_25 O 0.74800(18) 0.25490(15) 0.35410(9) 0.0578(13) Uani 1 1 d . . . . .
H6A_25 H 0.7621 0.2253 0.3519 0.087 Uiso 1 1 calc DR U . . .
C1_26 C 0.6007(2) 0.5665(2) 0.26015(11) 0.0382(15) Uani 1 1 d . . . . .
C2_26 C 0.6264(2) 0.5938(2) 0.25820(13) 0.0490(18) Uani 1 1 d . . . . .
H2_26 H 0.6094 0.6293 0.2562 0.059 Uiso 1 1 calc R U . . .
C3_26 C 0.6796(3) 0.5668(2) 0.25936(13) 0.0486(17) Uani 1 1 d . . . . .
C4_26 C 0.7048(2) 0.5142(2) 0.26253(11) 0.0370(15) Uani 1 1 d . . . . .
H4_26 H 0.7392 0.4965 0.2645 0.044 Uiso 1 1 calc R U . . .
C5_26 C 0.6785(2) 0.4886(2) 0.26279(12) 0.0414(16) Uani 1 1 d . . . . .
C6_26 C 0.6257(2) 0.5160(2) 0.26131(12) 0.0452(17) Uani 1 1 d . . . . .
H6_26 H 0.6080 0.4985 0.2611 0.054 Uiso 1 1 calc R U . . .
C7_26 C 0.5462(2) 0.5936(2) 0.25895(13) 0.0391(15) Uani 1 1 d . . . . .
C8_26 C 0.5206(2) 0.6462(2) 0.25176(11) 0.0417(16) Uani 1 1 d . . . . .
H8_26 H 0.5383 0.6654 0.2461 0.050 Uiso 1 1 calc R U . . .
C9_26 C 0.4691(3) 0.6706(3) 0.25280(12) 0.0497(17) Uani 1 1 d . . . . .
H9_26 H 0.4519 0.7063 0.2489 0.060 Uiso 1 1 calc R U . . .
C10_26 C 0.4444(3) 0.6436(3) 0.25922(12) 0.0477(17) Uani 1 1 d D . . . .
C11_26 C 0.4674(2) 0.5919(3) 0.26701(13) 0.0472(17) Uani 1 1 d . . . . .
H11_26 H 0.4490 0.5733 0.2723 0.057 Uiso 1 1 calc R U . . .
C12_26 C 0.5181(3) 0.5680(2) 0.26690(12) 0.0481(17) Uani 1 1 d . . . . .
H12_26 H 0.5343 0.5323 0.2725 0.058 Uiso 1 1 calc R U . . .
C13_26 C 0.3889(3) 0.6718(3) 0.26102(14) 0.0537(18) Uani 1 1 d . . . . .
C14_26 C 0.7057(2) 0.5962(2) 0.25767(14) 0.0494(18) Uani 1 1 d . . . . .
C15_26 C 0.7473(2) 0.5752(2) 0.27272(14) 0.0559(19) Uani 1 1 d . . . . .
H15_26 H 0.7582 0.5421 0.2839 0.067 Uiso 1 1 calc R U . . .
C16_26 C 0.7717(3) 0.6031(2) 0.27101(15) 0.061(2) Uani 1 1 d . . . . .
H16_26 H 0.7990 0.5890 0.2814 0.073 Uiso 1 1 calc R U . . .
C17_26 C 0.7578(3) 0.6500(2) 0.25506(16) 0.059(2) Uani 1 1 d D . . . .
C18_26 C 0.7174(2) 0.6705(2) 0.24010(14) 0.0548(19) Uani 1 1 d . . . . .
H18_26 H 0.7070 0.7037 0.2293 0.066 Uiso 1 1 calc R U . . .
C19_26 C 0.6917(2) 0.6446(2) 0.24034(13) 0.0470(16) Uani 1 1 d . . . . .
H19_26 H 0.6654 0.6588 0.2292 0.056 Uiso 1 1 calc R U . . .
C20_26 C 0.7855(3) 0.6776(3) 0.25356(18) 0.066(2) Uani 1 1 d . . . . .
C21_26 C 0.7039(2) 0.4343(2) 0.26476(13) 0.0431(16) Uani 1 1 d . . . . .
C22_26 C 0.6893(3) 0.4138(2) 0.24940(13) 0.0532(18) Uani 1 1 d . . . . .
H22_26 H 0.6634 0.4348 0.2378 0.064 Uiso 1 1 calc R U . . .
C23_26 C 0.7146(3) 0.3608(2) 0.25176(15) 0.066(2) Uani 1 1 d . . . . .
H23_26 H 0.7064 0.3465 0.2409 0.079 Uiso 1 1 calc R U . . .
C24_26 C 0.7514(3) 0.3290(2) 0.26983(15) 0.0560(19) Uani 1 1 d D . . . .
C25_26 C 0.7648(3) 0.3494(2) 0.28505(13) 0.0532(18) Uani 1 1 d . . . . .
H25_26 H 0.7901 0.3285 0.2970 0.064 Uiso 1 1 calc R U . . .
C26_26 C 0.7396(2) 0.4029(2) 0.28231(14) 0.0525(18) Uani 1 1 d . . . . .
H26_26 H 0.7480 0.4172 0.2931 0.063 Uiso 1 1 calc R U . . .
C27_26 C 0.7755(3) 0.2753(2) 0.27180(16) 0.058(2) Uani 1 1 d . . . . .
O1_26 O 0.36714(18) 0.72052(18) 0.25390(9) 0.0683(14) Uani 1 1 d . . . . .
O2_26 O 0.36478(17) 0.64597(17) 0.26931(9) 0.0592(12) Uani 1 1 d . . . . .
H2A_26 H 0.3344 0.6655 0.2700 0.089 Uiso 1 1 calc DR U . . .
O3_26 O 0.8187(2) 0.65902(17) 0.26905(14) 0.095(2) Uani 1 1 d . . . . .
H3A_26 H 0.8270 0.6809 0.2690 0.142 Uiso 1 1 calc DR U . . .
O4_26 O 0.77102(19) 0.72218(18) 0.23750(11) 0.0797(16) Uani 1 1 d . . . . .
O5_26 O 0.7659(2) 0.25870(16) 0.25420(11) 0.0788(16) Uani 1 1 d . . . . .
O6_26 O 0.80633(17) 0.24734(15) 0.28935(10) 0.0596(13) Uani 1 1 d . . . . .
H6A_26 H 0.8197 0.2175 0.2877 0.089 Uiso 1 1 calc DR U . . .
C1_27 C 0.8324(2) 0.4052(2) 0.32848(13) 0.0407(16) Uani 1 1 d . . . . .
C2_27 C 0.8453(2) 0.4424(2) 0.31443(14) 0.0502(17) Uani 1 1 d . . . . .
H2_27 H 0.8373 0.4693 0.3225 0.060 Uiso 1 1 calc R U . . .
C3_27 C 0.8697(2) 0.4420(2) 0.28881(14) 0.0472(17) Uani 1 1 d . . . . .
C4_27 C 0.8812(3) 0.4027(2) 0.27736(14) 0.0546(19) Uani 1 1 d . . . . .
H4_27 H 0.8960 0.4032 0.2594 0.065 Uiso 1 1 calc R U . . .
C5_27 C 0.8715(2) 0.3623(2) 0.29156(14) 0.0443(16) Uani 1 1 d . . . . .
C6_27 C 0.8466(2) 0.3649(2) 0.31715(13) 0.0437(16) Uani 1 1 d . . . . .
H6_27 H 0.8390 0.3381 0.3271 0.052 Uiso 1 1 calc R U . . .
C7_27 C 0.8034(2) 0.4075(2) 0.35635(13) 0.0411(15) Uani 1 1 d . . . . .
C8_27 C 0.7742(2) 0.4525(2) 0.36305(13) 0.0476(17) Uani 1 1 d . . . . .
H8_27 H 0.7699 0.4825 0.3499 0.057 Uiso 1 1 calc R U . . .
C9_27 C 0.7502(3) 0.4557(2) 0.38912(14) 0.0526(18) Uani 1 1 d . . . . .
H9_27 H 0.7311 0.4874 0.3939 0.063 Uiso 1 1 calc R U . . .
C10_27 C 0.7549(3) 0.4105(2) 0.40826(14) 0.0534(18) Uani 1 1 d D . . . .
C11_27 C 0.7842(2) 0.3648(2) 0.40071(14) 0.0483(17) Uani 1 1 d . . . . .
H11_27 H 0.7874 0.3344 0.4132 0.058 Uiso 1 1 calc R U . . .
C12_27 C 0.8085(3) 0.3632(2) 0.37547(14) 0.0574(19) Uani 1 1 d . . . . .
H12_27 H 0.8291 0.3315 0.3708 0.069 Uiso 1 1 calc R U . . .
C13_27 C 0.7269(3) 0.4152(3) 0.43566(14) 0.0518(18) Uani 1 1 d . . . . .
C14_27 C 0.8844(2) 0.4823(2) 0.27433(14) 0.0449(16) Uani 1 1 d . . . . .
C15_27 C 0.8861(3) 0.4974(2) 0.24737(15) 0.061(2) Uani 1 1 d . . . . .
H15_27 H 0.8753 0.4835 0.2376 0.073 Uiso 1 1 calc R U . . .
C16_27 C 0.9033(3) 0.5335(2) 0.23254(16) 0.073(2) Uani 1 1 d . . . . .
H16_27 H 0.9059 0.5420 0.2133 0.087 Uiso 1 1 calc R U . . .
C17_27 C 0.9162(3) 0.5557(2) 0.24734(16) 0.0577(19) Uani 1 1 d D . . . .
C18_27 C 0.9123(2) 0.5412(2) 0.27520(16) 0.0566(19) Uani 1 1 d . . . . .
H18_27 H 0.9203 0.5567 0.2854 0.068 Uiso 1 1 calc R U . . .
C19_27 C 0.8976(2) 0.5057(2) 0.28840(14) 0.0488(17) Uani 1 1 d . . . . .
H19_27 H 0.8961 0.4963 0.3076 0.059 Uiso 1 1 calc R U . . .
C20_27 C 0.9345(3) 0.5920(2) 0.23370(18) 0.069(2) Uani 1 1 d . . . . .
C21_27 C 0.8863(2) 0.3206(2) 0.27873(14) 0.0446(16) Uani 1 1 d . . . . .
C22_27 C 0.9061(2) 0.2698(2) 0.29346(14) 0.0509(17) Uani 1 1 d . . . . .
H22_27 H 0.9097 0.2629 0.3122 0.061 Uiso 1 1 calc R U . . .
C23_27 C 0.9201(2) 0.2305(2) 0.28193(15) 0.0543(18) Uani 1 1 d . . . . .
H23_27 H 0.9320 0.1971 0.2927 0.065 Uiso 1 1 calc R U . . .
C24_27 C 0.9168(3) 0.2391(2) 0.25436(15) 0.062(2) Uani 1 1 d D . . . .
C25_27 C 0.8969(3) 0.2888(3) 0.24097(15) 0.063(2) Uani 1 1 d . . . . .
H25_27 H 0.8926 0.2957 0.2224 0.075 Uiso 1 1 calc R U . . .
C26_27 C 0.8830(3) 0.3279(2) 0.25127(14) 0.060(2) Uani 1 1 d . . . . .
H26_27 H 0.8708 0.3609 0.2401 0.072 Uiso 1 1 calc R U . . .
C27_27 C 0.9345(3) 0.1964(3) 0.24313(17) 0.062(2) Uani 1 1 d . . . . .
O1_27 O 0.70136(18) 0.45592(15) 0.44091(9) 0.0585(13) Uani 1 1 d . . . . .
O2_27 O 0.73637(19) 0.37078(15) 0.45256(9) 0.0649(14) Uani 1 1 d . . . . .
H2A_27 H 0.7222 0.3751 0.4679 0.097 Uiso 1 1 calc DR U . . .
O3_27 O 0.9394(2) 0.6028(2) 0.20798(12) 0.0898(17) Uani 1 1 d . . . . .
H3A_27 H 0.9494 0.6249 0.2026 0.135 Uiso 1 1 calc DR U . . .
O4_27 O 0.9475(2) 0.61029(17) 0.24830(10) 0.0739(15) Uani 1 1 d . . . . .
O5_27 O 0.95840(19) 0.15249(17) 0.25447(10) 0.0724(14) Uani 1 1 d . . . . .
O6_27 O 0.9215(2) 0.20958(19) 0.21694(12) 0.0968(18) Uani 1 1 d . . . . .
H6A_27 H 0.9295 0.1834 0.2117 0.145 Uiso 1 1 calc DR U . . .
C1_28 C 0.9682(2) 0.3564(2) 0.33727(12) 0.0373(15) Uani 1 1 d . . . . .
C2_28 C 0.9839(2) 0.3918(2) 0.32359(13) 0.0438(16) Uani 1 1 d . . . . .
H2_28 H 0.9776 0.4176 0.3321 0.053 Uiso 1 1 calc R U . . .
C3_28 C 1.0092(3) 0.3920(2) 0.29734(13) 0.0502(18) Uani 1 1 d . . . . .
C4_28 C 1.0202(2) 0.35192(19) 0.28615(13) 0.0422(16) Uani 1 1 d . . . . .
H4_28 H 1.0384 0.3497 0.2690 0.051 Uiso 1 1 calc R U . . .
C5_28 C 1.00495(19) 0.31498(19) 0.29951(12) 0.0311(13) Uani 1 1 d . . . . .
C6_28 C 0.9808(2) 0.3166(2) 0.32513(12) 0.0398(15) Uani 1 1 d . . . . .
H6_28 H 0.9726 0.2902 0.3348 0.048 Uiso 1 1 calc R U . . .
C7_28 C 0.9419(2) 0.3565(2) 0.36476(12) 0.0431(16) Uani 1 1 d . . . . .
C8_28 C 0.9113(2) 0.4031(2) 0.37238(13) 0.0498(18) Uani 1 1 d . . . . .
H8_28 H 0.9083 0.4336 0.3601 0.060 Uiso 1 1 calc R U . . .
C9_28 C 0.8853(2) 0.4044(2) 0.39804(13) 0.0481(17) Uani 1 1 d . . . . .
H9_28 H 0.8639 0.4355 0.4031 0.058 Uiso 1 1 calc R U . . .
C10_28 C 0.8915(2) 0.3586(2) 0.41610(14) 0.0487(17) Uani 1 1 d D . . . .
C11_28 C 0.9189(2) 0.3139(2) 0.40835(14) 0.0484(17) Uani 1 1 d . . . . .
H11_28 H 0.9204 0.2836 0.4203 0.058 Uiso 1 1 calc R U . . .
C12_28 C 0.9444(3) 0.3127(2) 0.38313(13) 0.0510(18) Uani 1 1 d . . . . .
H12_28 H 0.9642 0.2813 0.3782 0.061 Uiso 1 1 calc R U . . .
C13_28 C 0.8638(2) 0.3606(2) 0.44307(12) 0.0418(16) Uani 1 1 d . . . . .
C14_28 C 1.0254(2) 0.4312(2) 0.28404(13) 0.0442(16) Uani 1 1 d . . . . .
C15_28 C 1.0313(2) 0.4445(2) 0.25720(13) 0.0475(17) Uani 1 1 d . . . . .
H15_28 H 1.0260 0.4275 0.2467 0.057 Uiso 1 1 calc R U . . .
C16_28 C 1.0449(2) 0.4821(2) 0.24421(14) 0.0524(18) Uani 1 1 d . . . . .
H16_28 H 1.0464 0.4922 0.2250 0.063 Uiso 1 1 calc R U . . .
C17_28 C 1.0562(2) 0.5049(2) 0.25821(14) 0.0469(17) Uani 1 1 d D . . . .
C18_28 C 1.0536(2) 0.4888(2) 0.28725(13) 0.0503(18) Uani 1 1 d . . . . .
H18_28 H 1.0622 0.5031 0.2979 0.060 Uiso 1 1 calc R U . . .
C19_28 C 1.0387(2) 0.4529(2) 0.29901(14) 0.0486(17) Uani 1 1 d . . . . .
H19_28 H 1.0372 0.4419 0.3182 0.058 Uiso 1 1 calc R U . . .
C20_28 C 1.0732(3) 0.5433(2) 0.24553(17) 0.060(2) Uani 1 1 d . . . . .
C21_28 C 1.0175(2) 0.2730(2) 0.28705(14) 0.0418(16) Uani 1 1 d . . . . .
C22_28 C 1.0362(2) 0.2236(2) 0.30212(14) 0.0493(17) Uani 1 1 d . . . . .
H22_28 H 1.0402 0.2160 0.3208 0.059 Uiso 1 1 calc R U . . .
C23_28 C 1.0491(2) 0.1851(2) 0.28874(14) 0.0500(17) Uani 1 1 d . . . . .
H23_28 H 1.0612 0.1513 0.2989 0.060 Uiso 1 1 calc R U . . .
C24_28 C 1.0451(3) 0.1944(2) 0.26193(14) 0.0506(18) Uani 1 1 d D . . . .
C25_28 C 1.0275(2) 0.2424(2) 0.24790(14) 0.0507(17) Uani 1 1 d . . . . .
H25_28 H 1.0249 0.2490 0.2291 0.061 Uiso 1 1 calc R U . . .
C26_28 C 1.0133(2) 0.2825(2) 0.25912(14) 0.0493(17) Uani 1 1 d . . . . .
H26_28 H 1.0009 0.3159 0.2484 0.059 Uiso 1 1 calc R U . . .
C27_28 C 1.0619(3) 0.1520(2) 0.24956(16) 0.062(2) Uani 1 1 d . . . . .
O1_28 O 0.83459(17) 0.40242(15) 0.44907(9) 0.0572(12) Uani 1 1 d . . . . .
O2_28 O 0.87050(18) 0.31879(15) 0.45826(9) 0.0599(13) Uani 1 1 d . . . . .
H2A_28 H 0.8550 0.3229 0.4734 0.090 Uiso 1 1 calc DR U . . .
O3_28 O 1.07524(19) 0.55665(17) 0.21954(10) 0.0667(14) Uani 1 1 d . . . . .
H3A_28 H 1.0831 0.5803 0.2143 0.100 Uiso 1 1 calc DR U . . .
O4_28 O 1.08454(19) 0.56216(16) 0.25970(9) 0.0665(14) Uani 1 1 d . . . . .
O5_28 O 1.08083(18) 0.10769(16) 0.26315(9) 0.0625(13) Uani 1 1 d . . . . .
O6_28 O 1.05305(19) 0.16446(16) 0.22417(9) 0.0647(13) Uani 1 1 d . . . . .
H6A_28 H 1.0630 0.1383 0.2186 0.097 Uiso 1 1 calc DR U . . .
C1_29 C 1.1062(2) 0.2985(2) 0.34320(12) 0.0355(14) Uani 1 1 d . . . . .
C2_29 C 1.1158(2) 0.2625(2) 0.32932(13) 0.0379(15) Uani 1 1 d . . . . .
H2_29 H 1.1041 0.2382 0.3374 0.045 Uiso 1 1 calc R U . . .
C3_29 C 1.1416(2) 0.26101(19) 0.30442(12) 0.0363(15) Uani 1 1 d . . . . .
C4_29 C 1.1574(2) 0.2974(2) 0.29167(13) 0.0406(16) Uani 1 1 d . . . . .
H4_29 H 1.1740 0.2973 0.2741 0.049 Uiso 1 1 calc R U . . .
C5_29 C 1.1483(2) 0.3346(2) 0.30523(13) 0.0440(16) Uani 1 1 d . . . . .
C6_29 C 1.1241(2) 0.3325(2) 0.33152(13) 0.0439(16) Uani 1 1 d . . . . .
H6_29 H 1.1202 0.3555 0.3414 0.053 Uiso 1 1 calc R U . . .
C7_29 C 1.0807(2) 0.2976(2) 0.37085(12) 0.0384(15) Uani 1 1 d . . . . .
C8_29 C 1.0793(3) 0.2546(2) 0.38761(14) 0.0518(18) Uani 1 1 d . . . . .
H8_29 H 1.0940 0.2246 0.3812 0.062 Uiso 1 1 calc R U . . .
C9_29 C 1.0571(3) 0.2546(2) 0.41316(14) 0.0530(18) Uani 1 1 d . . . . .
H9_29 H 1.0610 0.2234 0.4250 0.064 Uiso 1 1 calc R U . . .
C10_29 C 1.0286(3) 0.2987(2) 0.42294(14) 0.0509(18) Uani 1 1 d D . . . .
C11_29 C 1.0267(3) 0.3432(2) 0.40594(13) 0.0517(18) Uani 1 1 d . . . . .
H11_29 H 1.0088 0.3735 0.4122 0.062 Uiso 1 1 calc R U . . .
C12_29 C 1.0507(2) 0.3445(2) 0.37960(13) 0.0489(17) Uani 1 1 d . . . . .
H12_29 H 1.0472 0.3755 0.3678 0.059 Uiso 1 1 calc R U . . .
C13_29 C 1.0027(3) 0.2992(2) 0.44879(14) 0.0478(17) Uani 1 1 d . . . . .
C14_29 C 1.1517(2) 0.2209(2) 0.29009(13) 0.0421(16) Uani 1 1 d . . . . .
C15_29 C 1.1495(2) 0.2302(2) 0.26292(12) 0.0448(16) Uani 1 1 d . . . . .
H15_29 H 1.1397 0.2635 0.2523 0.054 Uiso 1 1 calc R U . . .
C16_29 C 1.1615(2) 0.1909(2) 0.25067(13) 0.0476(17) Uani 1 1 d . . . . .
H16_29 H 1.1598 0.1974 0.2318 0.057 Uiso 1 1 calc R U . . .
C17_29 C 1.1759(2) 0.1425(2) 0.26653(13) 0.0472(17) Uani 1 1 d D . . . .
C18_29 C 1.1802(3) 0.1316(2) 0.29381(13) 0.0515(18) Uani 1 1 d . . . . .
H18_29 H 1.1923 0.0978 0.3041 0.062 Uiso 1 1 calc R U . . .
C19_29 C 1.1663(2) 0.1716(2) 0.30623(13) 0.0439(16) Uani 1 1 d . . . . .
H19_29 H 1.1666 0.1655 0.3252 0.053 Uiso 1 1 calc R U . . .
C20_29 C 1.1891(3) 0.1011(3) 0.25255(15) 0.057(2) Uani 1 1 d . . . . .
C21_29 C 1.1695(2) 0.3715(2) 0.29198(13) 0.0445(16) Uani 1 1 d . . . . .
C22_29 C 1.1844(2) 0.3892(2) 0.30725(14) 0.0514(18) Uani 1 1 d . . . . .
H22_29 H 1.1850 0.3755 0.3262 0.062 Uiso 1 1 calc R U . . .
C23_29 C 1.1990(3) 0.4276(2) 0.29570(14) 0.059(2) Uani 1 1 d . . . . .
H23_29 H 1.2096 0.4397 0.3066 0.071 Uiso 1 1 calc R U . . .
C24_29 C 1.1974(2) 0.4471(2) 0.26815(13) 0.0439(16) Uani 1 1 d D . . . .
C25_29 C 1.1817(3) 0.4297(2) 0.25202(13) 0.0509(18) Uani 1 1 d . . . . .
H25_29 H 1.1807 0.4435 0.2331 0.061 Uiso 1 1 calc R U . . .
C26_29 C 1.1674(2) 0.3915(2) 0.26425(12) 0.0409(15) Uani 1 1 d . . . . .
H26_29 H 1.1562 0.3794 0.2536 0.049 Uiso 1 1 calc R U . . .
C27_29 C 1.2100(3) 0.4892(2) 0.25533(15) 0.0540(19) Uani 1 1 d . . . . .
O1_29 O 1.00729(18) 0.25683(17) 0.46372(9) 0.0635(14) Uani 1 1 d . . . . .
H1A_29 H 0.9925 0.2608 0.4790 0.095 Uiso 1 1 calc DR U . . .
O2_29 O 0.97611(18) 0.33867(16) 0.45704(9) 0.0637(13) Uani 1 1 d . . . . .
O3_29 O 1.18053(17) 0.11358(15) 0.22851(9) 0.0539(12) Uani 1 1 d . . . . .
H3A_29 H 1.1881 0.0878 0.2230 0.081 Uiso 1 1 calc DR U . . .
O4_29 O 1.20776(19) 0.05672(16) 0.26665(9) 0.0674(14) Uani 1 1 d . . . . .
O5_29 O 1.2271(2) 0.50333(19) 0.26990(10) 0.0841(17) Uani 1 1 d . . . . .
O6_29 O 1.20620(19) 0.50771(16) 0.22964(9) 0.0644(14) Uani 1 1 d . . . . .
H6A_29 H 1.2143 0.5311 0.2247 0.097 Uiso 1 1 calc DR U . . .
C1_30 C 0.5650(2) 0.4317(2) 0.61423(13) 0.0436(16) Uani 1 1 d . . . . .
C2_30 C 0.55135(19) 0.3939(2) 0.62855(12) 0.0322(14) Uani 1 1 d . . . . .
H2_30 H 0.5579 0.3677 0.6203 0.039 Uiso 1 1 calc R U . . .
C3_30 C 0.52915(19) 0.3938(2) 0.65376(12) 0.0333(14) Uani 1 1 d . . . . .
C4_30 C 0.5184(2) 0.4330(2) 0.66631(13) 0.0428(16) Uani 1 1 d . . . . .
H4_30 H 0.5025 0.4335 0.6841 0.051 Uiso 1 1 calc R U . . .
C5_30 C 0.5314(2) 0.47000(19) 0.65225(13) 0.0413(16) Uani 1 1 d . . . . .
C6_30 C 0.5552(2) 0.4689(2) 0.62625(12) 0.0390(15) Uani 1 1 d . . . . .
H6_30 H 0.5646 0.4946 0.6168 0.047 Uiso 1 1 calc R U . . .
C7_30 C 0.5886(2) 0.4306(2) 0.58583(13) 0.0425(16) Uani 1 1 d . . . . .
C8_30 C 0.6167(2) 0.3841(2) 0.57750(14) 0.0445(16) Uani 1 1 d . . . . .
H8_30 H 0.6206 0.3536 0.5901 0.053 Uiso 1 1 calc R U . . .
C9_30 C 0.6379(3) 0.3825(2) 0.55197(14) 0.0561(19) Uani 1 1 d . . . . .
H9_30 H 0.6548 0.3516 0.5464 0.067 Uiso 1 1 calc R U . . .
C10_30 C 0.6348(2) 0.4267(2) 0.53409(13) 0.0418(16) Uani 1 1 d D . . . .
C11_30 C 0.6097(2) 0.4711(2) 0.54069(14) 0.0545(18) Uani 1 1 d . . . . .
H11_30 H 0.6076 0.5012 0.5282 0.065 Uiso 1 1 calc R U . . .
C12_30 C 0.5862(2) 0.4715(2) 0.56752(14) 0.0530(18) Uani 1 1 d . . . . .
H12_30 H 0.5676 0.5030 0.5725 0.064 Uiso 1 1 calc R U . . .
C13_30 C 0.6605(3) 0.4228(2) 0.50565(14) 0.0493(18) Uani 1 1 d . . . . .
C14_30 C 0.5178(2) 0.3507(2) 0.66894(12) 0.0381(15) Uani 1 1 d . . . . .
C15_30 C 0.5228(2) 0.32958(19) 0.69698(12) 0.0376(14) Uani 1 1 d . . . . .
H15_30 H 0.5319 0.3438 0.7074 0.045 Uiso 1 1 calc R U . . .
C16_30 C 0.5144(2) 0.2887(2) 0.70904(12) 0.0385(15) Uani 1 1 d . . . . .
H16_30 H 0.5195 0.2737 0.7276 0.046 Uiso 1 1 calc R U . . .
C17_30 C 0.4980(2) 0.2682(2) 0.69434(13) 0.0477(17) Uani 1 1 d D . . . .
C18_30 C 0.4922(2) 0.2896(2) 0.66634(13) 0.0510(17) Uani 1 1 d . . . . .
H18_30 H 0.4820 0.2764 0.6558 0.061 Uiso 1 1 calc R U . . .
C19_30 C 0.5016(2) 0.3294(2) 0.65523(14) 0.0478(17) Uani 1 1 d . . . . .
H19_30 H 0.4969 0.3442 0.6366 0.057 Uiso 1 1 calc R U . . .
C20_30 C 0.4875(2) 0.2261(2) 0.70804(15) 0.0524(18) Uani 1 1 d . . . . .
C21_30 C 0.5174(2) 0.51477(19) 0.66452(12) 0.0353(14) Uani 1 1 d . . . . .
C22_30 C 0.5101(2) 0.55990(19) 0.64945(13) 0.0421(15) Uani 1 1 d . . . . .
H22_30 H 0.5150 0.5642 0.6303 0.051 Uiso 1 1 calc R U . . .
C23_30 C 0.4956(2) 0.6014(2) 0.66025(14) 0.0558(18) Uani 1 1 d . . . . .
H23_30 H 0.4889 0.6336 0.6488 0.067 Uiso 1 1 calc R U . . .
C24_30 C 0.4911(2) 0.5939(2) 0.68932(14) 0.0498(17) Uani 1 1 d D . . . .
C25_30 C 0.5005(3) 0.5470(2) 0.70430(14) 0.0549(19) Uani 1 1 d . . . . .
H25_30 H 0.4989 0.5410 0.7234 0.066 Uiso 1 1 calc R U . . .
C26_30 C 0.5126(2) 0.5066(2) 0.69237(13) 0.0484(17) Uani 1 1 d . . . . .
H26_30 H 0.5172 0.4746 0.7034 0.058 Uiso 1 1 calc R U . . .
C27_30 C 0.4766(3) 0.6366(2) 0.70003(15) 0.0566(19) Uani 1 1 d . . . . .
O1_30 O 0.68578(19) 0.38209(17) 0.49947(9) 0.0668(14) Uani 1 1 d . . . . .
O2_30 O 0.65383(19) 0.46693(15) 0.48980(9) 0.0699(15) Uani 1 1 d . . . . .
H2A_30 H 0.6688 0.4629 0.4745 0.105 Uiso 1 1 calc DR U . . .
O3_30 O 0.49672(15) 0.20596(14) 0.73282(9) 0.0483(11) Uani 1 1 d . . . . .
H3A_30 H 0.4903 0.1814 0.7383 0.073 Uiso 1 1 calc DR U . . .
O4_30 O 0.4707(2) 0.21067(18) 0.69454(10) 0.0844(17) Uani 1 1 d . . . . .
O5_30 O 0.46377(18) 0.67991(15) 0.68628(9) 0.0685(14) Uani 1 1 d . . . . .
O6_30 O 0.47672(18) 0.62715(15) 0.72600(9) 0.0633(13) Uani 1 1 d . . . . .
H6A_30 H 0.4654 0.6543 0.7309 0.095 Uiso 1 1 calc DR U . . .
C1_31 C 0.7043(2) 0.36162(19) 0.62155(12) 0.0351(14) Uani 1 1 d . . . . .
C2_31 C 0.6909(2) 0.3234(2) 0.63564(12) 0.0385(15) Uani 1 1 d . . . . .
H2_31 H 0.6982 0.2971 0.6273 0.046 Uiso 1 1 calc R U . . .
C3_31 C 0.6672(2) 0.32313(19) 0.66132(12) 0.0361(15) Uani 1 1 d . . . . .
C4_31 C 0.6553(2) 0.3616(2) 0.67392(12) 0.0403(15) Uani 1 1 d . . . . .
H4_31 H 0.6395 0.3612 0.6917 0.048 Uiso 1 1 calc R U . . .
C5_31 C 0.6669(2) 0.40034(19) 0.66009(12) 0.0365(15) Uani 1 1 d . . . . .
C6_31 C 0.6904(2) 0.4006(2) 0.63421(12) 0.0408(15) Uani 1 1 d . . . . .
H6_31 H 0.6973 0.4280 0.6249 0.049 Uiso 1 1 calc R U . . .
C7_31 C 0.7263(2) 0.3632(2) 0.59378(12) 0.0357(14) Uani 1 1 d . . . . .
C8_31 C 0.7544(2) 0.3184(2) 0.58490(13) 0.0458(17) Uani 1 1 d . . . . .
H8_31 H 0.7582 0.2875 0.5970 0.055 Uiso 1 1 calc R U . . .
C9_31 C 0.7774(3) 0.3183(2) 0.55816(14) 0.0524(18) Uani 1 1 d . . . . .
H9_31 H 0.7965 0.2875 0.5525 0.063 Uiso 1 1 calc R U . . .
C10_31 C 0.7719(3) 0.3632(2) 0.54042(12) 0.0472(17) Uani 1 1 d D . . . .
C11_31 C 0.7442(2) 0.4091(2) 0.54823(13) 0.0471(17) Uani 1 1 d . . . . .
H11_31 H 0.7400 0.4401 0.5360 0.057 Uiso 1 1 calc R U . . .
C12_31 C 0.7225(2) 0.4074(2) 0.57553(13) 0.0515(18) Uani 1 1 d . . . . .
H12_31 H 0.7046 0.4380 0.5815 0.062 Uiso 1 1 calc R U . . .
C13_31 C 0.7966(3) 0.3627(3) 0.51254(14) 0.0476(17) Uani 1 1 d . . . . .
C14_31 C 0.6543(2) 0.28075(19) 0.67544(11) 0.0310(13) Uani 1 1 d . . . . .
C15_31 C 0.6581(2) 0.2608(2) 0.70322(12) 0.0428(16) Uani 1 1 d . . . . .
H15_31 H 0.6685 0.2747 0.7131 0.051 Uiso 1 1 calc R U . . .
C16_31 C 0.6470(2) 0.22079(19) 0.71701(11) 0.0363(14) Uani 1 1 d . . . . .
H16_31 H 0.6492 0.2078 0.7359 0.044 Uiso 1 1 calc R U . . .
C17_31 C 0.6324(2) 0.2009(2) 0.70126(12) 0.0425(16) Uani 1 1 d D . . . .
C18_31 C 0.6282(2) 0.2204(2) 0.67423(12) 0.0372(14) Uani 1 1 d . . . . .
H18_31 H 0.6177 0.2065 0.6644 0.045 Uiso 1 1 calc R U . . .
C19_31 C 0.6389(2) 0.25975(19) 0.66077(13) 0.0389(15) Uani 1 1 d . . . . .
H19_31 H 0.6360 0.2726 0.6419 0.047 Uiso 1 1 calc R U . . .
C20_31 C 0.6216(3) 0.1578(2) 0.71451(15) 0.0562(19) Uani 1 1 d . . . . .
C21_31 C 0.6528(2) 0.44281(19) 0.67310(12) 0.0367(14) Uani 1 1 d . . . . .
C22_31 C 0.6390(2) 0.4912(2) 0.65832(13) 0.0459(17) Uani 1 1 d . . . . .
H22_31 H 0.6407 0.4978 0.6392 0.055 Uiso 1 1 calc R U . . .
C23_31 C 0.6223(2) 0.5319(2) 0.67103(13) 0.0478(17) Uani 1 1 d . . . . .
H23_31 H 0.6113 0.5655 0.6607 0.057 Uiso 1 1 calc R U . . .
C24_31 C 0.6224(2) 0.5215(2) 0.69857(13) 0.0432(16) Uani 1 1 d D . . . .
C25_31 C 0.6379(2) 0.4739(2) 0.71331(13) 0.0446(16) Uani 1 1 d . . . . .
H25_31 H 0.6392 0.4670 0.7323 0.054 Uiso 1 1 calc R U . . .
C26_31 C 0.6521(2) 0.4346(2) 0.70074(12) 0.0407(15) Uani 1 1 d . . . . .
H26_31 H 0.6614 0.4014 0.7115 0.049 Uiso 1 1 calc R U . . .
C27_31 C 0.6053(2) 0.5641(2) 0.71213(14) 0.0452(17) Uani 1 1 d . . . . .
O1_31 O 0.82264(17) 0.32208(16) 0.50552(9) 0.0563(12) Uani 1 1 d . . . . .
O2_31 O 0.78714(19) 0.40618(16) 0.49685(9) 0.0672(14) Uani 1 1 d . . . . .
H2A_31 H 0.7998 0.4028 0.4811 0.101 Uiso 1 1 calc DR U . . .
O3_31 O 0.62613(15) 0.13946(14) 0.74048(8) 0.0474(11) Uani 1 1 d . . . . .
H3A_31 H 0.6162 0.1174 0.7459 0.071 Uiso 1 1 calc DR U . . .
O4_31 O 0.60303(18) 0.14380(15) 0.70107(9) 0.0598(13) Uani 1 1 d . . . . .
O5_31 O 0.59022(18) 0.60859(14) 0.69768(9) 0.0599(13) Uani 1 1 d . . . . .
O6_31 O 0.60628(18) 0.55258(15) 0.73773(9) 0.0592(13) Uani 1 1 d . . . . .
H6A_31 H 0.5967 0.5787 0.7433 0.089 Uiso 1 1 calc DR U . . .
C1_32 C 0.8407(2) 0.2941(2) 0.62794(12) 0.0412(16) Uani 1 1 d . . . . .
C2_32 C 0.8296(2) 0.2535(2) 0.64127(11) 0.0343(14) Uani 1 1 d . . . . .
H2_32 H 0.8369 0.2281 0.6322 0.041 Uiso 1 1 calc R U . . .
C3_32 C 0.8072(2) 0.2510(2) 0.66842(13) 0.0438(16) Uani 1 1 d . . . . .
C4_32 C 0.7943(2) 0.2905(2) 0.68036(12) 0.0374(15) Uani 1 1 d . . . . .
H4_32 H 0.7789 0.2892 0.6983 0.045 Uiso 1 1 calc R U . . .
C5_32 C 0.8028(2) 0.3319(2) 0.66730(13) 0.0402(15) Uani 1 1 d . . . . .
C6_32 C 0.8262(2) 0.3323(2) 0.64115(12) 0.0395(15) Uani 1 1 d . . . . .
H6_32 H 0.8326 0.3602 0.6319 0.047 Uiso 1 1 calc R U . . .
C7_32 C 0.8641(2) 0.2966(2) 0.60036(12) 0.0371(15) Uani 1 1 d . . . . .
C8_32 C 0.8942(2) 0.2519(2) 0.59056(12) 0.0422(16) Uani 1 1 d . . . . .
H8_32 H 0.8981 0.2206 0.6022 0.051 Uiso 1 1 calc R U . . .
C9_32 C 0.9174(2) 0.2524(2) 0.56561(14) 0.0512(18) Uani 1 1 d . . . . .
H9_32 H 0.9386 0.2216 0.5602 0.061 Uiso 1 1 calc R U . . .
C10_32 C 0.9106(2) 0.2981(2) 0.54743(13) 0.0417(16) Uani 1 1 d D . . . .
C11_32 C 0.8823(2) 0.3417(2) 0.55574(13) 0.0460(17) Uani 1 1 d . . . . .
H11_32 H 0.8780 0.3728 0.5436 0.055 Uiso 1 1 calc R U . . .
C12_32 C 0.8595(2) 0.3412(2) 0.58208(12) 0.0439(16) Uani 1 1 d . . . . .
H12_32 H 0.8404 0.3722 0.5876 0.053 Uiso 1 1 calc R U . . .
C13_32 C 0.9346(2) 0.2979(2) 0.51925(13) 0.0424(16) Uani 1 1 d . . . . .
C14_32 C 0.7956(2) 0.2096(2) 0.68162(11) 0.0334(14) Uani 1 1 d . . . . .
C15_32 C 0.8000(2) 0.1883(2) 0.70870(12) 0.0396(15) Uani 1 1 d . . . . .
H15_32 H 0.8118 0.2006 0.7189 0.048 Uiso 1 1 calc R U . . .
C16_32 C 0.7877(2) 0.1491(2) 0.72195(12) 0.0408(15) Uani 1 1 d . . . . .
H16_32 H 0.7924 0.1340 0.7406 0.049 Uiso 1 1 calc R U . . .
C17_32 C 0.7685(2) 0.1326(2) 0.70710(12) 0.0390(15) Uani 1 1 d D . . . .
C18_32 C 0.7620(2) 0.15386(19) 0.67974(12) 0.0390(15) Uani 1 1 d . . . . .
H18_32 H 0.7486 0.1423 0.6701 0.047 Uiso 1 1 calc R U . . .
C19_32 C 0.7752(2) 0.1922(2) 0.66649(13) 0.0454(17) Uani 1 1 d . . . . .
H19_32 H 0.7709 0.2069 0.6478 0.054 Uiso 1 1 calc R U . . .
C20_32 C 0.7543(3) 0.0910(2) 0.72042(15) 0.0526(18) Uani 1 1 d . . . . .
C21_32 C 0.7884(2) 0.3727(2) 0.68066(13) 0.0387(15) Uani 1 1 d . . . . .
C22_32 C 0.7712(2) 0.42269(19) 0.66550(13) 0.0416(16) Uani 1 1 d . . . . .
H22_32 H 0.7712 0.4302 0.6464 0.050 Uiso 1 1 calc R U . . .
C23_32 C 0.7539(2) 0.4616(2) 0.67951(13) 0.0493(18) Uani 1 1 d . . . . .
H23_32 H 0.7405 0.4956 0.6696 0.059 Uiso 1 1 calc R U . . .
C24_32 C 0.7559(2) 0.4517(2) 0.70636(14) 0.0468(17) Uani 1 1 d D . . . .
C25_32 C 0.7750(3) 0.4018(2) 0.72163(13) 0.0550(19) Uani 1 1 d . . . . .
H25_32 H 0.7773 0.3946 0.7405 0.066 Uiso 1 1 calc R U . . .
C26_32 C 0.7906(2) 0.3631(2) 0.70834(13) 0.0513(18) Uani 1 1 d . . . . .
H26_32 H 0.8030 0.3293 0.7185 0.062 Uiso 1 1 calc R U . . .
C27_32 C 0.7391(3) 0.4931(2) 0.72008(15) 0.0544(19) Uani 1 1 d . . . . .
O1_32 O 0.96304(17) 0.25703(15) 0.51272(9) 0.0562(13) Uani 1 1 d . . . . .
O2_32 O 0.92564(16) 0.34180(14) 0.50320(8) 0.0499(11) Uani 1 1 d . . . . .
H2A_32 H 0.9431 0.3379 0.4885 0.075 Uiso 1 1 calc DR U . . .
O3_32 O 0.76321(18) 0.07055(17) 0.74538(10) 0.0628(13) Uani 1 1 d . . . . .
H3A_32 H 0.7556 0.0468 0.7509 0.094 Uiso 1 1 calc DR U . . .
O4_32 O 0.73594(16) 0.07857(14) 0.70755(9) 0.0525(12) Uani 1 1 d . . . . .
O5_32 O 0.71766(16) 0.53833(14) 0.70661(8) 0.0492(11) Uani 1 1 d . . . . .
O6_32 O 0.74248(19) 0.48099(15) 0.74639(10) 0.0665(14) Uani 1 1 d . . . . .
H6A_32 H 0.7268 0.5071 0.7526 0.100 Uiso 1 1 calc DR U . . .
C1_33 C 0.0626(3) 0.8991(2) 0.11247(15) 0.0541(19) Uani 1 1 d . . . . .
C2_33 C 0.0515(2) 0.9343(2) 0.12712(14) 0.0478(17) Uani 1 1 d . . . . .
H2_33 H 0.0613 0.9602 0.1195 0.057 Uiso 1 1 calc R U . . .
C3_33 C 0.0265(2) 0.9326(2) 0.15281(15) 0.0479(17) Uani 1 1 d . . . . .
C4_33 C 0.0158(2) 0.8920(2) 0.16442(14) 0.0504(18) Uani 1 1 d . . . . .
H4_33 H 0.0000 0.8898 0.1822 0.060 Uiso 1 1 calc R U . . .
C5_33 C 0.0268(2) 0.8559(2) 0.15152(15) 0.0535(18) Uani 1 1 d . . . . .
C6_33 C 0.0525(2) 0.8593(2) 0.12552(15) 0.0577(19) Uani 1 1 d . . . . .
H6_33 H 0.0633 0.8327 0.1167 0.069 Uiso 1 1 calc R U . . .
C7_33 C 0.0893(2) 0.9028(2) 0.08513(14) 0.0485(18) Uani 1 1 d . . . . .
C8_33 C 0.0802(2) 0.9511(2) 0.06857(13) 0.0442(16) Uani 1 1 d . . . . .
H8_33 H 0.0573 0.9805 0.0750 0.053 Uiso 1 1 calc R U . . .
C9_33 C 0.1054(2) 0.9555(2) 0.04243(14) 0.0475(17) Uani 1 1 d . . . . .
H9_33 H 0.1001 0.9878 0.0316 0.057 Uiso 1 1 calc R U . . .
C10_33 C 0.1363(2) 0.9143(2) 0.03305(13) 0.0421(16) Uani 1 1 d D . . . .
C11_33 C 0.1440(3) 0.8634(2) 0.05062(16) 0.0576(19) Uani 1 1 d . . . . .
H11_33 H 0.1651 0.8338 0.0441 0.069 Uiso 1 1 calc R U . . .
C12_33 C 0.1209(3) 0.8603(2) 0.07542(13) 0.0493(17) Uani 1 1 d . . . . .
H12_33 H 0.1262 0.8281 0.0866 0.059 Uiso 1 1 calc R U . . .
C13_33 C 0.1645(3) 0.9169(3) 0.00713(16) 0.057(2) Uani 1 1 d . . . . .
C14_33 C 0.0141(2) 0.9715(2) 0.16744(13) 0.0440(16) Uani 1 1 d . . . . .
C15_33 C 0.0184(2) 0.9609(2) 0.19563(13) 0.0564(19) Uani 1 1 d . . . . .
H15_33 H 0.0295 0.9273 0.2060 0.068 Uiso 1 1 calc R U . . .
C16_33 C 0.0064(2) 0.9996(2) 0.20805(13) 0.0510(18) Uani 1 1 d . . . . .
H16_33 H 0.0100 0.9923 0.2268 0.061 Uiso 1 1 calc R U . . .
C17_33 C -0.0106(3) 1.0486(2) 0.19318(15) 0.0566(19) Uani 1 1 d D . . . .
C18_33 C -0.0159(3) 1.0603(2) 0.16608(15) 0.059(2) Uani 1 1 d . . . . .
H18_33 H -0.0280 1.0941 0.1559 0.071 Uiso 1 1 calc R U . . .
C19_33 C -0.0031(3) 1.0208(2) 0.15391(14) 0.0580(19) Uani 1 1 d . . . . .
H19_33 H -0.0064 1.0288 0.1351 0.070 Uiso 1 1 calc R U . . .
C20_33 C -0.0223(3) 1.0900(3) 0.20624(16) 0.059(2) Uani 1 1 d . . . . .
C21_33 C 0.0153(2) 0.8125(2) 0.16408(13) 0.0483(17) Uani 1 1 d . . . . .
C22_33 C 0.0114(3) 0.7855(2) 0.14927(15) 0.0602(19) Uani 1 1 d . . . . .
H22_33 H 0.0152 0.7953 0.1301 0.072 Uiso 1 1 calc R U . . .
C23_33 C 0.0020(3) 0.7439(2) 0.16101(15) 0.0608(19) Uani 1 1 d . . . . .
H23_33 H 0.0010 0.7251 0.1500 0.073 Uiso 1 1 calc R U . . .
C24_33 C -0.0055(3) 0.7310(2) 0.18803(14) 0.0519(18) Uani 1 1 d D . . . .
C25_33 C 0.0006(3) 0.7561(2) 0.20285(14) 0.062(2) Uani 1 1 d . . . . .
H25_33 H -0.0032 0.7459 0.2220 0.074 Uiso 1 1 calc R U . . .
C26_33 C 0.0119(3) 0.7953(2) 0.19230(14) 0.0562(19) Uani 1 1 d . . . . .
H26_33 H 0.0174 0.8105 0.2038 0.067 Uiso 1 1 calc R U . . .
C27_33 C -0.0178(3) 0.6898(3) 0.20024(18) 0.066(2) Uani 1 1 d . . . . .
O1_33 O 0.15509(17) 0.96316(16) -0.00776(9) 0.0610(13) Uani 1 1 d . . . . .
O2_33 O 0.19325(18) 0.87877(18) -0.00173(9) 0.0606(13) Uani 1 1 d . . . . .
H2A_33 H 0.2026 0.8874 -0.0180 0.091 Uiso 1 1 calc DR U . . .
O3_33 O -0.01059(18) 1.07756(16) 0.23074(10) 0.0653(13) Uani 1 1 d . . . . .
H3A_33 H -0.0208 1.1037 0.2365 0.098 Uiso 1 1 calc DR U . . .
O4_33 O -0.04687(19) 1.13510(17) 0.19389(10) 0.0751(15) Uani 1 1 d . . . . .
O5_33 O -0.0281(2) 0.66973(18) 0.18591(10) 0.0853(17) Uani 1 1 d . . . . .
O6_33 O -0.01954(18) 0.67536(16) 0.22716(10) 0.0683(14) Uani 1 1 d . . . . .
H6A_33 H -0.0289 0.6529 0.2324 0.102 Uiso 1 1 calc DR U . . .
C1_34 C 0.1988(2) 0.8516(2) 0.12035(12) 0.0400(15) Uani 1 1 d . . . . .
C2_34 C 0.1851(2) 0.8890(2) 0.13411(13) 0.0463(17) Uani 1 1 d . . . . .
H2_34 H 0.1915 0.9170 0.1254 0.056 Uiso 1 1 calc R U . . .
C3_34 C 0.1629(2) 0.8870(2) 0.15958(13) 0.0444(16) Uani 1 1 d . . . . .
C4_34 C 0.1506(3) 0.8486(2) 0.17245(14) 0.0537(19) Uani 1 1 d . . . . .
H4_34 H 0.1335 0.8486 0.1899 0.064 Uiso 1 1 calc R U . . .
C5_34 C 0.1630(2) 0.8096(2) 0.16005(13) 0.0376(15) Uani 1 1 d . . . . .
C6_34 C 0.1869(2) 0.8120(2) 0.13468(13) 0.0453(16) Uani 1 1 d . . . . .
H6_34 H 0.1960 0.7854 0.1261 0.054 Uiso 1 1 calc R U . . .
C7_34 C 0.2250(2) 0.8526(2) 0.09305(14) 0.0462(17) Uani 1 1 d . . . . .
C8_34 C 0.2206(2) 0.8971(2) 0.07560(13) 0.0480(17) Uani 1 1 d . . . . .
H8_34 H 0.2014 0.9273 0.0819 0.058 Uiso 1 1 calc R U . . .
C9_34 C 0.2425(2) 0.9004(2) 0.04934(14) 0.0465(17) Uani 1 1 d . . . . .
H9_34 H 0.2369 0.9321 0.0376 0.056 Uiso 1 1 calc R U . . .
C10_34 C 0.2728(2) 0.8563(2) 0.04085(13) 0.0452(16) Uani 1 1 d D . . . .
C11_34 C 0.2779(2) 0.8105(2) 0.05695(13) 0.0474(17) Uani 1 1 d . . . . .
H11_34 H 0.2972 0.7805 0.0505 0.057 Uiso 1 1 calc R U . . .
C12_34 C 0.2540(2) 0.8093(2) 0.08288(13) 0.0458(16) Uani 1 1 d . . . . .
H12_34 H 0.2576 0.7778 0.0941 0.055 Uiso 1 1 calc R U . . .
C13_34 C 0.2989(3) 0.8584(3) 0.01324(14) 0.0488(18) Uani 1 1 d . . . . .
C14_34 C 0.1487(2) 0.9297(2) 0.17276(13) 0.0419(16) Uani 1 1 d . . . . .
C15_34 C 0.1550(2) 0.9175(2) 0.20037(13) 0.0453(16) Uani 1 1 d . . . . .
H15_34 H 0.1691 0.8833 0.2100 0.054 Uiso 1 1 calc R U . . .
C16_34 C 0.1402(2) 0.9565(2) 0.21382(14) 0.0540(18) Uani 1 1 d . . . . .
H16_34 H 0.1432 0.9490 0.2326 0.065 Uiso 1 1 calc R U . . .
C17_34 C 0.1214(2) 1.0051(2) 0.19919(15) 0.0472(17) Uani 1 1 d D . . . .
C18_34 C 0.1160(2) 1.0172(2) 0.17212(15) 0.0536(18) Uani 1 1 d . . . . .
H18_34 H 0.1032 1.0514 0.1625 0.064 Uiso 1 1 calc R U . . .
C19_34 C 0.1295(2) 0.9786(2) 0.15840(13) 0.0463(17) Uani 1 1 d . . . . .
H19_34 H 0.1254 0.9866 0.1397 0.056 Uiso 1 1 calc R U . . .
C20_34 C 0.1060(3) 1.0466(2) 0.21303(15) 0.056(2) Uani 1 1 d . . . . .
C21_34 C 0.1522(2) 0.7668(2) 0.17391(14) 0.0441(16) Uani 1 1 d . . . . .
C22_34 C 0.1429(2) 0.74130(19) 0.15860(13) 0.0419(15) Uani 1 1 d . . . . .
H22_34 H 0.1457 0.7508 0.1394 0.050 Uiso 1 1 calc R U . . .
C23_34 C 0.1302(2) 0.7042(2) 0.17086(13) 0.0467(16) Uani 1 1 d . . . . .
H23_34 H 0.1224 0.6893 0.1602 0.056 Uiso 1 1 calc R U . . .
C24_34 C 0.1283(2) 0.6873(2) 0.19888(14) 0.0487(17) Uani 1 1 d D . . . .
C25_34 C 0.1377(2) 0.7108(2) 0.21509(14) 0.0541(18) Uani 1 1 d . . . . .
H25_34 H 0.1362 0.7003 0.2342 0.065 Uiso 1 1 calc R U . . .
C26_34 C 0.1496(2) 0.7506(2) 0.20128(14) 0.0495(17) Uani 1 1 d . . . . .
H26_34 H 0.1560 0.7669 0.2117 0.059 Uiso 1 1 calc R U . . .
C27_34 C 0.1153(3) 0.6453(3) 0.21179(17) 0.067(2) Uani 1 1 d . . . . .
O1_34 O 0.29190(18) 0.90208(16) -0.00152(9) 0.0618(13) Uani 1 1 d . . . . .
O2_34 O 0.32631(19) 0.81767(18) 0.00560(9) 0.0649(14) Uani 1 1 d . . . . .
H2A_34 H 0.3367 0.8241 -0.0107 0.097 Uiso 1 1 calc DR U . . .
O3_34 O 0.11064(19) 1.03547(16) 0.23831(10) 0.0670(14) Uani 1 1 d . . . . .
H3A_34 H 0.0988 1.0620 0.2439 0.101 Uiso 1 1 calc DR U . . .
O4_34 O 0.08564(17) 1.09212(15) 0.19934(9) 0.0613(13) Uani 1 1 d . . . . .
O5_34 O 0.10634(19) 0.62543(16) 0.19698(10) 0.0699(14) Uani 1 1 d . . . . .
O6_34 O 0.11357(19) 0.63159(16) 0.23809(9) 0.0646(14) Uani 1 1 d . . . . .
H6A_34 H 0.1094 0.6056 0.2433 0.097 Uiso 1 1 calc DR U . . .
C1_35 C 0.3379(2) 0.7929(2) 0.12709(12) 0.0419(16) Uani 1 1 d . . . . .
C2_35 C 0.3230(2) 0.8313(2) 0.14125(13) 0.0459(17) Uani 1 1 d . . . . .
H2_35 H 0.3295 0.8591 0.1323 0.055 Uiso 1 1 calc R U . . .
C3_35 C 0.2996(2) 0.8310(2) 0.16706(12) 0.0393(15) Uani 1 1 d . . . . .
C4_35 C 0.2900(2) 0.7906(2) 0.17962(13) 0.0417(16) Uani 1 1 d . . . . .
H4_35 H 0.2741 0.7888 0.1974 0.050 Uiso 1 1 calc R U . . .
C5_35 C 0.3035(2) 0.7514(2) 0.16630(12) 0.0415(16) Uani 1 1 d . . . . .
C6_35 C 0.3264(2) 0.75352(19) 0.14089(11) 0.0351(14) Uani 1 1 d . . . . .
H6_35 H 0.3349 0.7273 0.1322 0.042 Uiso 1 1 calc R U . . .
C7_35 C 0.3620(2) 0.7950(2) 0.09985(12) 0.0337(14) Uani 1 1 d . . . . .
C8_35 C 0.3567(2) 0.8404(2) 0.08182(12) 0.0383(15) Uani 1 1 d . . . . .
H8_35 H 0.3365 0.8711 0.0875 0.046 Uiso 1 1 calc R U . . .
C9_35 C 0.3800(2) 0.8419(2) 0.05613(13) 0.0450(17) Uani 1 1 d . . . . .
H9_35 H 0.3756 0.8734 0.0444 0.054 Uiso 1 1 calc R U . . .
C10_35 C 0.4095(2) 0.7983(2) 0.04725(13) 0.0403(15) Uani 1 1 d D . . . .
C11_35 C 0.4163(2) 0.7523(2) 0.06408(13) 0.0457(17) Uani 1 1 d . . . . .
H11_35 H 0.4363 0.7222 0.0579 0.055 Uiso 1 1 calc R U . . .
C12_35 C 0.3934(2) 0.7507(2) 0.09042(13) 0.0444(16) Uani 1 1 d . . . . .
H12_35 H 0.3992 0.7190 0.1023 0.053 Uiso 1 1 calc R U . . .
C13_35 C 0.4357(2) 0.7988(2) 0.01934(13) 0.0401(16) Uani 1 1 d . . . . .
C14_35 C 0.2846(2) 0.8724(2) 0.18008(13) 0.0413(16) Uani 1 1 d . . . . .
C15_35 C 0.2891(2) 0.8636(2) 0.20662(13) 0.0488(17) Uani 1 1 d . . . . .
H15_35 H 0.3037 0.8297 0.2166 0.059 Uiso 1 1 calc R U . . .
C16_35 C 0.2733(3) 0.9019(2) 0.22019(14) 0.061(2) Uani 1 1 d . . . . .
H16_35 H 0.2763 0.8945 0.2390 0.073 Uiso 1 1 calc R U . . .
C17_35 C 0.2528(2) 0.9520(2) 0.20488(14) 0.0483(17) Uani 1 1 d D . . . .
C18_35 C 0.2495(2) 0.9615(2) 0.17761(13) 0.0445(16) Uani 1 1 d . . . . .
H18_35 H 0.2359 0.9952 0.1673 0.053 Uiso 1 1 calc R U . . .
C19_35 C 0.2661(2) 0.9214(2) 0.16492(13) 0.0457(16) Uani 1 1 d . . . . .
H19_35 H 0.2645 0.9280 0.1460 0.055 Uiso 1 1 calc R U . . .
C20_35 C 0.2355(3) 0.9933(3) 0.21862(15) 0.056(2) Uani 1 1 d . . . . .
C21_35 C 0.2908(2) 0.7090(2) 0.18074(12) 0.0352(14) Uani 1 1 d . . . . .
C22_35 C 0.2754(2) 0.6896(2) 0.16608(13) 0.0493(17) Uani 1 1 d . . . . .
H22_35 H 0.2739 0.7022 0.1471 0.059 Uiso 1 1 calc R U . . .
C23_35 C 0.2621(2) 0.6510(2) 0.17949(14) 0.0495(18) Uani 1 1 d . . . . .
H23_35 H 0.2507 0.6380 0.1695 0.059 Uiso 1 1 calc R U . . .
C24_35 C 0.2654(2) 0.6318(2) 0.20697(13) 0.0435(16) Uani 1 1 d D . . . .
C25_35 C 0.2811(2) 0.6522(2) 0.22127(12) 0.0462(17) Uani 1 1 d . . . . .
H25_35 H 0.2826 0.6397 0.2403 0.055 Uiso 1 1 calc R U . . .
C26_35 C 0.2941(2) 0.6892(2) 0.20871(13) 0.0503(18) Uani 1 1 d . . . . .
H26_35 H 0.3055 0.7020 0.2188 0.060 Uiso 1 1 calc R U . . .
C27_35 C 0.2503(3) 0.5911(3) 0.22082(16) 0.059(2) Uani 1 1 d . . . . .
O1_35 O 0.42629(16) 0.84287(14) 0.00352(8) 0.0530(12) Uani 1 1 d . . . . .
O2_35 O 0.46287(17) 0.75915(15) 0.01254(8) 0.0521(12) Uani 1 1 d . . . . .
H2A_35 H 0.4744 0.7650 -0.0035 0.078 Uiso 1 1 calc DR U . . .
O3_35 O 0.2430(2) 0.98223(16) 0.24348(10) 0.0760(16) Uani 1 1 d . . . . .
H3A_35 H 0.2258 1.0077 0.2500 0.114 Uiso 1 1 calc DR U . . .
O4_35 O 0.21290(17) 1.03817(15) 0.20512(9) 0.0572(13) Uani 1 1 d . . . . .
O5_35 O 0.23280(17) 0.57747(15) 0.20669(9) 0.0580(12) Uani 1 1 d . . . . .
O6_35 O 0.2540(2) 0.57447(19) 0.24579(10) 0.0842(17) Uani 1 1 d . . . . .
H6A_35 H 0.2434 0.5529 0.2515 0.126 Uiso 1 1 calc DR U . . .
C1_36 C 0.5797(2) 0.6271(2) 0.18512(12) 0.0426(16) Uani 1 1 d . . . . .
C2_36 C 0.5534(2) 0.6783(2) 0.18409(12) 0.0403(16) Uani 1 1 d . . . . .
H2_36 H 0.5712 0.6964 0.1829 0.048 Uiso 1 1 calc R U . . .
C3_36 C 0.5025(2) 0.7045(2) 0.18468(12) 0.0394(15) Uani 1 1 d . . . . .
C4_36 C 0.4759(2) 0.6792(2) 0.18509(12) 0.0388(15) Uani 1 1 d . . . . .
H4_36 H 0.4414 0.6973 0.1838 0.047 Uiso 1 1 calc R U . . .
C5_36 C 0.4997(2) 0.6276(2) 0.18739(12) 0.0421(16) Uani 1 1 d . . . . .
C6_36 C 0.5508(2) 0.6025(2) 0.18702(11) 0.0379(15) Uani 1 1 d . . . . .
H6_36 H 0.5670 0.5673 0.1881 0.045 Uiso 1 1 calc R U . . .
C7_36 C 0.6328(2) 0.5982(2) 0.18646(11) 0.0321(14) Uani 1 1 d . . . . .
C8_36 C 0.6620(2) 0.6243(2) 0.17733(14) 0.0525(18) Uani 1 1 d . . . . .
H8_36 H 0.6468 0.6596 0.1699 0.063 Uiso 1 1 calc R U . . .
C9_36 C 0.7129(2) 0.5986(2) 0.17915(13) 0.0467(17) Uani 1 1 d . . . . .
H9_36 H 0.7316 0.6168 0.1744 0.056 Uiso 1 1 calc R U . . .
C10_36 C 0.7363(2) 0.5462(2) 0.18789(11) 0.0334(14) Uani 1 1 d D . . . .
C11_36 C 0.7074(3) 0.5210(2) 0.19576(14) 0.0564(19) Uani 1 1 d . . . . .
H11_36 H 0.7227 0.4853 0.2015 0.068 Uiso 1 1 calc R U . . .
C12_36 C 0.6562(3) 0.5475(2) 0.19538(14) 0.0552(19) Uani 1 1 d . . . . .
H12_36 H 0.6373 0.5294 0.2015 0.066 Uiso 1 1 calc R U . . .
C13_36 C 0.7912(2) 0.5185(2) 0.18785(13) 0.0412(16) Uani 1 1 d . . . . .
C14_36 C 0.4771(2) 0.7591(2) 0.18476(12) 0.0389(15) Uani 1 1 d . . . . .
C15_36 C 0.4358(2) 0.7918(2) 0.16914(13) 0.0452(16) Uani 1 1 d . . . . .
H15_36 H 0.4250 0.7790 0.1588 0.054 Uiso 1 1 calc R U . . .
C16_36 C 0.4121(2) 0.8421(2) 0.16928(13) 0.0445(16) Uani 1 1 d . . . . .
H16_36 H 0.3837 0.8639 0.1596 0.053 Uiso 1 1 calc R U . . .
C17_36 C 0.4293(2) 0.8614(2) 0.18355(14) 0.0464(17) Uani 1 1 d D . . . .
C18_36 C 0.4689(3) 0.8295(2) 0.19865(14) 0.0545(19) Uani 1 1 d . . . . .
H18_36 H 0.4802 0.8421 0.2089 0.065 Uiso 1 1 calc R U . . .
C19_36 C 0.4915(3) 0.7798(2) 0.19881(13) 0.0505(18) Uani 1 1 d . . . . .
H19_36 H 0.5190 0.7582 0.2093 0.061 Uiso 1 1 calc R U . . .
C20_36 C 0.4016(2) 0.9171(2) 0.18268(16) 0.0518(19) Uani 1 1 d . . . . .
C21_36 C 0.4716(2) 0.5992(2) 0.18895(13) 0.0455(16) Uani 1 1 d . . . . .
C22_36 C 0.4878(2) 0.5501(2) 0.20552(12) 0.0429(16) Uani 1 1 d . . . . .
H22_36 H 0.5162 0.5353 0.2151 0.051 Uiso 1 1 calc R U . . .
C23_36 C 0.4614(3) 0.5237(2) 0.20756(14) 0.0535(18) Uani 1 1 d . . . . .
H23_36 H 0.4713 0.4910 0.2189 0.064 Uiso 1 1 calc R U . . .
C24_36 C 0.4206(2) 0.5453(2) 0.19297(13) 0.0466(17) Uani 1 1 d D . . . .
C25_36 C 0.4056(2) 0.5936(2) 0.17703(14) 0.0474(17) Uani 1 1 d . . . . .
H25_36 H 0.3773 0.6084 0.1674 0.057 Uiso 1 1 calc R U . . .
C26_36 C 0.4303(2) 0.6204(2) 0.17482(13) 0.0440(16) Uani 1 1 d . . . . .
H26_36 H 0.4195 0.6535 0.1637 0.053 Uiso 1 1 calc R U . . .
C27_36 C 0.3929(3) 0.5168(3) 0.19482(15) 0.0541(19) Uani 1 1 d . . . . .
O1_36 O 0.81562(15) 0.54185(15) 0.17933(9) 0.0532(12) Uani 1 1 d . . . . .
O2_36 O 0.80887(16) 0.47111(16) 0.19744(10) 0.0675(14) Uani 1 1 d . . . . .
H2A_36 H 0.8392 0.4589 0.1987 0.101 Uiso 1 1 calc DR U . . .
O3_36 O 0.36871(18) 0.94449(15) 0.16728(10) 0.0575(13) Uani 1 1 d . . . . .
H3A_36 H 0.3565 0.9743 0.1689 0.086 Uiso 1 1 calc DR U . . .
O4_36 O 0.41623(17) 0.93242(15) 0.19808(10) 0.0688(15) Uani 1 1 d . . . . .
O5_36 O 0.4055(2) 0.4739(2) 0.21013(12) 0.0873(18) Uani 1 1 d . . . . .
O6_36 O 0.35794(17) 0.53763(16) 0.17885(11) 0.0606(13) Uani 1 1 d . . . . .
H6A_36 H 0.3441 0.5192 0.1816 0.091 Uiso 1 1 calc DR U . . .
C1_37 C 0.6376(2) 0.6280(2) 0.11442(11) 0.0360(15) Uani 1 1 d . . . . .
C2_37 C 0.6121(2) 0.6796(2) 0.11313(11) 0.0360(15) Uani 1 1 d . . . . .
H2_37 H 0.6299 0.6976 0.1122 0.043 Uiso 1 1 calc R U . . .
C3_37 C 0.5622(2) 0.70458(19) 0.11318(12) 0.0369(15) Uani 1 1 d . . . . .
C4_37 C 0.5342(2) 0.6797(2) 0.11421(11) 0.0365(15) Uani 1 1 d . . . . .
H4_37 H 0.4994 0.6972 0.1139 0.044 Uiso 1 1 calc R U . . .
C5_37 C 0.5613(2) 0.6261(2) 0.11578(11) 0.0365(15) Uani 1 1 d . . . . .
C6_37 C 0.6108(3) 0.6017(2) 0.11554(12) 0.0432(16) Uani 1 1 d . . . . .
H6_37 H 0.6277 0.5667 0.1161 0.052 Uiso 1 1 calc R U . . .
C7_37 C 0.6931(2) 0.5997(2) 0.11366(12) 0.0430(16) Uani 1 1 d . . . . .
C8_37 C 0.7211(2) 0.6266(2) 0.10449(12) 0.0444(16) Uani 1 1 d . . . . .
H8_37 H 0.7054 0.6620 0.0977 0.053 Uiso 1 1 calc R U . . .
C9_37 C 0.7709(2) 0.6012(2) 0.10548(14) 0.0550(19) Uani 1 1 d . . . . .
H9_37 H 0.7899 0.6193 0.0992 0.066 Uiso 1 1 calc R U . . .
C10_37 C 0.7948(2) 0.5491(2) 0.11555(11) 0.0316(14) Uani 1 1 d D . . . .
C11_37 C 0.7674(3) 0.5225(2) 0.12495(15) 0.060(2) Uani 1 1 d . . . . .
H11_37 H 0.7830 0.4873 0.1322 0.072 Uiso 1 1 calc R U . . .
C12_37 C 0.7170(2) 0.5483(2) 0.12353(13) 0.0476(17) Uani 1 1 d . . . . .
H12_37 H 0.6982 0.5301 0.1295 0.057 Uiso 1 1 calc R U . . .
C13_37 C 0.8494(2) 0.5211(2) 0.11522(13) 0.0439(16) Uani 1 1 d . . . . .
C14_37 C 0.5341(2) 0.7607(2) 0.11281(12) 0.0391(15) Uani 1 1 d . . . . .
C15_37 C 0.4925(2) 0.7923(2) 0.09904(12) 0.0409(16) Uani 1 1 d . . . . .
H15_37 H 0.4808 0.7791 0.0894 0.049 Uiso 1 1 calc R U . . .
C16_37 C 0.4681(2) 0.8420(2) 0.09905(12) 0.0422(16) Uani 1 1 d . . . . .
H16_37 H 0.4390 0.8628 0.0898 0.051 Uiso 1 1 calc R U . . .
C17_37 C 0.4843(3) 0.8630(2) 0.11206(13) 0.0457(17) Uani 1 1 d D . . . .
C18_37 C 0.5256(2) 0.8319(2) 0.12611(13) 0.0464(17) Uani 1 1 d . . . . .
H18_37 H 0.5366 0.8458 0.1357 0.056 Uiso 1 1 calc R U . . .
C19_37 C 0.5510(2) 0.7816(2) 0.12661(12) 0.0434(16) Uani 1 1 d . . . . .
H19_37 H 0.5798 0.7609 0.1361 0.052 Uiso 1 1 calc R U . . .
C20_37 C 0.4570(3) 0.9168(2) 0.11238(15) 0.0491(18) Uani 1 1 d . . . . .
C21_37 C 0.5323(2) 0.5987(2) 0.11761(12) 0.0373(15) Uani 1 1 d . . . . .
C22_37 C 0.5456(2) 0.5520(2) 0.13417(13) 0.0477(17) Uani 1 1 d . . . . .
H22_37 H 0.5733 0.5370 0.1444 0.057 Uiso 1 1 calc R U . . .
C23_37 C 0.5182(3) 0.5258(2) 0.13620(13) 0.0482(17) Uani 1 1 d . . . . .
H23_37 H 0.5280 0.4928 0.1473 0.058 Uiso 1 1 calc R U . . .
C24_37 C 0.4771(2) 0.5486(2) 0.12186(13) 0.0443(16) Uani 1 1 d D . . . .
C25_37 C 0.4617(2) 0.5970(2) 0.10606(12) 0.0432(16) Uani 1 1 d . . . . .
H25_37 H 0.4323 0.6132 0.0971 0.052 Uiso 1 1 calc R U . . .
C26_37 C 0.4904(2) 0.6211(2) 0.10364(13) 0.0437(16) Uani 1 1 d . . . . .
H26_37 H 0.4811 0.6537 0.0922 0.052 Uiso 1 1 calc R U . . .
C27_37 C 0.4474(3) 0.5210(2) 0.12496(14) 0.0457(17) Uani 1 1 d . . . . .
O1_37 O 0.87416(16) 0.54390(16) 0.10569(9) 0.0572(12) Uani 1 1 d . . . . .
O2_37 O 0.86769(16) 0.47367(16) 0.12588(10) 0.0636(13) Uani 1 1 d . . . . .
H2A_37 H 0.8985 0.4606 0.1231 0.095 Uiso 1 1 calc DR U . . .
O3_37 O 0.42075(19) 0.94396(16) 0.09853(10) 0.0587(13) Uani 1 1 d . . . . .
H3A_37 H 0.4079 0.9735 0.1006 0.088 Uiso 1 1 calc DR U . . .
O4_37 O 0.47123(17) 0.93305(15) 0.12741(9) 0.0563(12) Uani 1 1 d . . . . .
O5_37 O 0.45918(18) 0.47912(15) 0.14016(10) 0.0651(14) Uani 1 1 d . . . . .
O6_37 O 0.41114(18) 0.54355(16) 0.11031(10) 0.0619(13) Uani 1 1 d . . . . .
H6A_37 H 0.3975 0.5251 0.1125 0.093 Uiso 1 1 calc DR U . . .
C1_38 C 0.6945(3) 0.6286(2) 0.04135(11) 0.0381(16) Uani 1 1 d . . . . .
C2_38 C 0.6702(2) 0.6793(2) 0.04032(11) 0.0381(15) Uani 1 1 d . . . . .
H2_38 H 0.6885 0.6968 0.0394 0.046 Uiso 1 1 calc R U . . .
C3_38 C 0.6180(2) 0.7063(2) 0.04066(12) 0.0405(16) Uani 1 1 d . . . . .
C4_38 C 0.5935(2) 0.6806(2) 0.04179(12) 0.0387(15) Uani 1 1 d . . . . .
H4_38 H 0.5588 0.6985 0.0411 0.046 Uiso 1 1 calc R U . . .
C5_38 C 0.6161(2) 0.6288(2) 0.04399(11) 0.0339(14) Uani 1 1 d . . . . .
C6_38 C 0.6655(2) 0.6039(2) 0.04397(11) 0.0360(15) Uani 1 1 d . . . . .
H6_38 H 0.6814 0.5684 0.0458 0.043 Uiso 1 1 calc R U . . .
C7_38 C 0.7486(2) 0.6005(2) 0.04164(12) 0.0399(15) Uani 1 1 d . . . . .
C8_38 C 0.7785(3) 0.6242(2) 0.02983(13) 0.0504(17) Uani 1 1 d . . . . .
H8_38 H 0.7640 0.6590 0.0213 0.060 Uiso 1 1 calc R U . . .
C9_38 C 0.8293(3) 0.5974(2) 0.03048(13) 0.0490(17) Uani 1 1 d . . . . .
H9_38 H 0.8491 0.6143 0.0232 0.059 Uiso 1 1 calc R U . . .
C10_38 C 0.8506(2) 0.5477(2) 0.04132(12) 0.0437(16) Uani 1 1 d D . . . .
C11_38 C 0.8221(3) 0.5222(2) 0.05315(13) 0.0497(17) Uani 1 1 d . . . . .
H11_38 H 0.8372 0.4872 0.0612 0.060 Uiso 1 1 calc R U . . .
C12_38 C 0.7734(3) 0.5481(2) 0.05285(12) 0.0439(16) Uani 1 1 d . . . . .
H12_38 H 0.7542 0.5306 0.0606 0.053 Uiso 1 1 calc R U . . .
C13_38 C 0.9063(2) 0.5202(2) 0.04256(13) 0.0405(16) Uani 1 1 d . . . . .
C14_38 C 0.5925(2) 0.7609(2) 0.04029(12) 0.0385(15) Uani 1 1 d . . . . .
C15_38 C 0.5517(3) 0.7938(2) 0.02516(15) 0.058(2) Uani 1 1 d . . . . .
H15_38 H 0.5411 0.7810 0.0146 0.069 Uiso 1 1 calc R U . . .
C16_38 C 0.5267(3) 0.8442(2) 0.02533(14) 0.0535(18) Uani 1 1 d . . . . .
H16_38 H 0.4987 0.8656 0.0153 0.064 Uiso 1 1 calc R U . . .
C17_38 C 0.5420(3) 0.8637(2) 0.03987(15) 0.0531(19) Uani 1 1 d D . . . .
C18_38 C 0.5823(3) 0.8315(2) 0.05614(14) 0.0505(18) Uani 1 1 d . . . . .
H18_38 H 0.5912 0.8437 0.0678 0.061 Uiso 1 1 calc R U . . .
C19_38 C 0.6080(2) 0.7814(2) 0.05432(13) 0.0447(16) Uani 1 1 d . . . . .
H19_38 H 0.6375 0.7603 0.0631 0.054 Uiso 1 1 calc R U . . .
C20_38 C 0.5127(3) 0.9180(3) 0.04122(16) 0.060(2) Uani 1 1 d . . . . .
C21_38 C 0.5847(2) 0.6026(2) 0.04616(13) 0.0437(16) Uani 1 1 d . . . . .
C22_38 C 0.5992(2) 0.5543(2) 0.06236(12) 0.0406(16) Uani 1 1 d . . . . .
H22_38 H 0.6276 0.5389 0.0720 0.049 Uiso 1 1 calc R U . . .
C23_38 C 0.5732(2) 0.5293(2) 0.06436(14) 0.0534(18) Uani 1 1 d . . . . .
H23_38 H 0.5842 0.4957 0.0748 0.064 Uiso 1 1 calc R U . . .
C24_38 C 0.5292(2) 0.5524(2) 0.05105(14) 0.0455(16) Uani 1 1 d D . . . .
C25_38 C 0.5163(2) 0.5994(2) 0.03505(14) 0.0537(18) Uani 1 1 d . . . . .
H25_38 H 0.4880 0.6152 0.0252 0.064 Uiso 1 1 calc R U . . .
C26_38 C 0.5434(2) 0.6239(2) 0.03294(13) 0.0477(17) Uani 1 1 d . . . . .
H26_38 H 0.5331 0.6569 0.0219 0.057 Uiso 1 1 calc R U . . .
C27_38 C 0.5010(2) 0.5264(3) 0.05424(15) 0.0500(18) Uani 1 1 d . . . . .
O1_38 O 0.93101(15) 0.54204(15) 0.03194(9) 0.0545(12) Uani 1 1 d . . . . .
O2_38 O 0.92333(16) 0.47312(15) 0.05571(9) 0.0528(11) Uani 1 1 d . . . . .
H2A_38 H 0.9543 0.4593 0.0540 0.079 Uiso 1 1 calc DR U . . .
O3_38 O 0.4753(2) 0.94465(17) 0.02902(12) 0.0837(18) Uani 1 1 d . . . . .
H3A_38 H 0.4612 0.9733 0.0326 0.126 Uiso 1 1 calc DR U . . .
O4_38 O 0.52745(18) 0.93211(15) 0.05790(10) 0.0664(14) Uani 1 1 d . . . . .
O5_38 O 0.50777(16) 0.48611(16) 0.07167(10) 0.0620(13) Uani 1 1 d . . . . .
O6_38 O 0.4642(2) 0.54871(19) 0.03839(12) 0.0849(17) Uani 1 1 d . . . . .
H6A_38 H 0.4485 0.5318 0.0421 0.127 Uiso 1 1 calc DR U . . .
C1_39 C -0.0875(2) 0.10269(19) 0.97231(11) 0.0376(15) Uani 1 1 d . . . . .
C2_39 C -0.0629(2) 0.0509(2) 0.97273(11) 0.0354(14) Uani 1 1 d . . . . .
H2_39 H -0.0811 0.0341 0.9721 0.042 Uiso 1 1 calc R U . . .
C3_39 C -0.0120(2) 0.0242(2) 0.97400(12) 0.0413(16) Uani 1 1 d . . . . .
C4_39 C 0.0152(2) 0.0482(2) 0.97373(12) 0.0383(15) Uani 1 1 d . . . . .
H4_39 H 0.0498 0.0293 0.9748 0.046 Uiso 1 1 calc R U . . .
C5_39 C -0.0071(2) 0.0993(2) 0.97187(12) 0.0384(15) Uani 1 1 d . . . . .
C6_39 C -0.0591(2) 0.1255(2) 0.97241(11) 0.0378(15) Uani 1 1 d . . . . .
H6_39 H -0.0751 0.1602 0.9729 0.045 Uiso 1 1 calc R U . . .
C7_39 C -0.1415(2) 0.1314(2) 0.97202(11) 0.0346(14) Uani 1 1 d . . . . .
C8_39 C -0.1706(2) 0.1059(2) 0.98292(11) 0.0365(14) Uani 1 1 d . . . . .
H8_39 H -0.1559 0.0706 0.9902 0.044 Uiso 1 1 calc R U . . .
C9_39 C -0.2223(2) 0.1343(2) 0.98269(12) 0.0364(14) Uani 1 1 d . . . . .
H9_39 H -0.2426 0.1180 0.9904 0.044 Uiso 1 1 calc R U . . .
C10_39 C -0.2441(2) 0.1854(2) 0.97148(12) 0.0381(15) Uani 1 1 d D . . . .
C11_39 C -0.2159(2) 0.2107(2) 0.96129(11) 0.0388(15) Uani 1 1 d . . . . .
H11_39 H -0.2308 0.2460 0.9541 0.047 Uiso 1 1 calc R U . . .
C12_39 C -0.1655(2) 0.1832(2) 0.96188(12) 0.0403(15) Uani 1 1 d . . . . .
H12_39 H -0.1460 0.2005 0.9550 0.048 Uiso 1 1 calc R U . . .
C13_39 C -0.2991(2) 0.2131(2) 0.97215(12) 0.0387(15) Uani 1 1 d . . . . .
C14_39 C 0.0140(2) -0.0308(2) 0.97327(12) 0.0336(14) Uani 1 1 d . . . . .
C15_39 C 0.0518(2) -0.0635(2) 0.98887(13) 0.0486(17) Uani 1 1 d . . . . .
H15_39 H 0.0618 -0.0508 0.9997 0.058 Uiso 1 1 calc R U . . .
C16_39 C 0.0762(2) -0.1140(2) 0.98968(13) 0.0491(17) Uani 1 1 d . . . . .
H16_39 H 0.1015 -0.1360 1.0014 0.059 Uiso 1 1 calc R U . . .
C17_39 C 0.0629(2) -0.1324(2) 0.97279(13) 0.0422(16) Uani 1 1 d D . . . .
C18_39 C 0.0247(2) -0.1007(2) 0.95679(12) 0.0417(15) Uani 1 1 d . . . . .
H18_39 H 0.0156 -0.1133 0.9455 0.050 Uiso 1 1 calc R U . . .
C19_39 C -0.0008(2) -0.0493(2) 0.95723(13) 0.0444(16) Uani 1 1 d . . . . .
H19_39 H -0.0280 -0.0273 0.9467 0.053 Uiso 1 1 calc R U . . .
C20_39 C 0.0898(2) -0.1859(2) 0.97250(13) 0.0437(16) Uani 1 1 d . . . . .
C21_39 C 0.0219(2) 0.1256(2) 0.97235(13) 0.0394(15) Uani 1 1 d . . . . .
C22_39 C 0.0094(2) 0.1738(2) 0.95737(12) 0.0412(15) Uani 1 1 d . . . . .
H22_39 H -0.0194 0.1910 0.9478 0.049 Uiso 1 1 calc R U . . .
C23_39 C 0.0374(2) 0.1983(2) 0.95571(13) 0.0445(16) Uani 1 1 d . . . . .
H23_39 H 0.0294 0.2308 0.9443 0.053 Uiso 1 1 calc R U . . .
C24_39 C 0.0770(2) 0.1741(2) 0.97116(14) 0.0498(17) Uani 1 1 d D . . . .
C25_39 C 0.0901(2) 0.1251(2) 0.98723(14) 0.0569(19) Uani 1 1 d . . . . .
H25_39 H 0.1173 0.1084 0.9979 0.068 Uiso 1 1 calc R U . . .
C26_39 C 0.0619(2) 0.1020(2) 0.98688(13) 0.0512(17) Uani 1 1 d . . . . .
H26_39 H 0.0708 0.0685 0.9972 0.061 Uiso 1 1 calc R U . . .
C27_39 C 0.1085(2) 0.1982(2) 0.96908(15) 0.0537(19) Uani 1 1 d . . . . .
O1_39 O -0.32355(15) 0.18900(15) 0.98215(8) 0.0496(11) Uani 1 1 d . . . . .
O2_39 O -0.31736(14) 0.25955(13) 0.96192(8) 0.0432(10) Uani 1 1 d . . . . .
H2A_39 H -0.3481 0.2716 0.9628 0.065 Uiso 1 1 calc DR U . . .
O3_39 O 0.1220(2) -0.21506(17) 0.98933(11) 0.0752(15) Uani 1 1 d . . . . .
H3A_39 H 0.1337 -0.2448 0.9878 0.113 Uiso 1 1 calc DR U . . .
O4_39 O 0.07994(15) -0.20132(14) 0.95542(9) 0.0535(12) Uani 1 1 d . . . . .
O5_39 O 0.09903(16) 0.23940(15) 0.95299(10) 0.0642(13) Uani 1 1 d . . . . .
O6_39 O 0.14309(19) 0.17547(17) 0.98568(11) 0.0747(15) Uani 1 1 d . . . . .
H6A_39 H 0.1562 0.1940 0.9845 0.112 Uiso 1 1 calc DR U . . .
C1_40 C -0.0225(2) 0.0986(2) 0.90175(11) 0.0352(14) Uani 1 1 d . . . . .
C2_40 C 0.0037(2) 0.0468(2) 0.90133(11) 0.0329(14) Uani 1 1 d . . . . .
H2_40 H -0.0136 0.0296 0.9000 0.039 Uiso 1 1 calc R U . . .
C3_40 C 0.0545(2) 0.0209(2) 0.90283(12) 0.0391(15) Uani 1 1 d . . . . .
C4_40 C 0.0788(2) 0.0465(2) 0.90377(12) 0.0405(15) Uani 1 1 d . . . . .
H4_40 H 0.1134 0.0286 0.9052 0.049 Uiso 1 1 calc R U . . .
C5_40 C 0.0558(2) 0.0970(2) 0.90278(12) 0.0413(15) Uani 1 1 d . . . . .
C6_40 C 0.0054(2) 0.1221(2) 0.90210(11) 0.0405(15) Uani 1 1 d . . . . .
H6_40 H -0.0110 0.1570 0.9019 0.049 Uiso 1 1 calc R U . . .
C7_40 C -0.0760(2) 0.1253(2) 0.90036(12) 0.0394(15) Uani 1 1 d . . . . .
C8_40 C -0.1060(3) 0.1009(3) 0.90912(12) 0.0479(17) Uani 1 1 d . . . . .
H8_40 H -0.0912 0.0654 0.9154 0.057 Uiso 1 1 calc R U . . .
C9_40 C -0.1554(3) 0.1265(2) 0.90883(12) 0.0470(17) Uani 1 1 d . . . . .
H9_40 H -0.1744 0.1086 0.9151 0.056 Uiso 1 1 calc R U . . .
C10_40 C -0.1792(2) 0.1788(2) 0.89947(12) 0.0410(15) Uani 1 1 d D . . . .
C11_40 C -0.1514(3) 0.2032(2) 0.89094(13) 0.0497(17) Uani 1 1 d . . . . .
H11_40 H -0.1675 0.2389 0.8853 0.060 Uiso 1 1 calc R U . . .
C12_40 C -0.1002(2) 0.1786(2) 0.88999(11) 0.0387(15) Uani 1 1 d . . . . .
H12_40 H -0.0817 0.1969 0.8826 0.046 Uiso 1 1 calc R U . . .
C13_40 C -0.2340(3) 0.2062(3) 0.90042(13) 0.0503(17) Uani 1 1 d . . . . .
C14_40 C 0.0807(2) -0.0343(2) 0.90378(13) 0.0409(16) Uani 1 1 d . . . . .
C15_40 C 0.1218(2) -0.0661(2) 0.91875(12) 0.0449(16) Uani 1 1 d . . . . .
H15_40 H 0.1324 -0.0517 0.9283 0.054 Uiso 1 1 calc R U . . .
C16_40 C 0.1478(2) -0.1178(2) 0.92031(13) 0.0455(16) Uani 1 1 d . . . . .
H16_40 H 0.1745 -0.1386 0.9313 0.055 Uiso 1 1 calc R U . . .
C17_40 C 0.1330(2) -0.1379(2) 0.90490(13) 0.0420(16) Uani 1 1 d D . . . .
C18_40 C 0.0912(2) -0.1061(2) 0.88954(12) 0.0429(16) Uani 1 1 d . . . . .
H18_40 H 0.0801 -0.1201 0.8801 0.051 Uiso 1 1 calc R U . . .
C19_40 C 0.0668(2) -0.0551(2) 0.88843(12) 0.0376(15) Uani 1 1 d . . . . .
H19_40 H 0.0405 -0.0339 0.8772 0.045 Uiso 1 1 calc R U . . .
C20_40 C 0.1585(3) -0.1913(2) 0.90463(15) 0.0512(18) Uani 1 1 d . . . . .
C21_40 C 0.0837(2) 0.1240(2) 0.90305(14) 0.0470(17) Uani 1 1 d . . . . .
C22_40 C 0.0699(2) 0.1728(2) 0.88777(14) 0.0543(19) Uani 1 1 d . . . . .
H22_40 H 0.0425 0.1885 0.8773 0.065 Uiso 1 1 calc R U . . .
C23_40 C 0.0955(2) 0.1990(2) 0.88749(13) 0.0467(16) Uani 1 1 d . . . . .
H23_40 H 0.0854 0.2325 0.8771 0.056 Uiso 1 1 calc R U . . .
C24_40 C 0.1362(2) 0.1757(2) 0.90272(14) 0.0477(17) Uani 1 1 d D . . . .
C25_40 C 0.1510(2) 0.1269(2) 0.91798(13) 0.0501(17) Uani 1 1 d . . . . .
H25_40 H 0.1784 0.1111 0.9285 0.060 Uiso 1 1 calc R U . . .
C26_40 C 0.1250(2) 0.1010(2) 0.91771(13) 0.0489(17) Uani 1 1 d . . . . .
H26_40 H 0.1356 0.0672 0.9277 0.059 Uiso 1 1 calc R U . . .
C27_40 C 0.1639(3) 0.2026(2) 0.90283(15) 0.0551(19) Uani 1 1 d . . . . .
O1_40 O -0.25789(17) 0.18127(17) 0.90950(9) 0.0603(13) Uani 1 1 d . . . . .
O2_40 O -0.25338(16) 0.25437(17) 0.89262(10) 0.0625(13) Uani 1 1 d . . . . .
H2A_40 H -0.2842 0.2662 0.8937 0.094 Uiso 1 1 calc DR U . . .
O3_40 O 0.19426(18) -0.21838(15) 0.91955(10) 0.0661(14) Uani 1 1 d . . . . .
H3A_40 H 0.2059 -0.2486 0.9189 0.099 Uiso 1 1 calc DR U . . .
O4_40 O 0.14658(16) -0.20809(14) 0.89010(9) 0.0556(12) Uani 1 1 d . . . . .
O5_40 O 0.15164(16) 0.24654(15) 0.88687(9) 0.0619(13) Uani 1 1 d . . . . .
O6_40 O 0.20005(18) 0.17988(16) 0.91734(10) 0.0636(13) Uani 1 1 d . . . . .
H6A_40 H 0.2154 0.1970 0.9141 0.095 Uiso 1 1 calc DR U . . .
C1_41 C 0.0382(2) 0.0873(2) 0.82982(12) 0.0412(16) Uani 1 1 d . . . . .
C2_41 C 0.0656(2) 0.0360(2) 0.83067(12) 0.0441(16) Uani 1 1 d . . . . .
H2_41 H 0.0492 0.0174 0.8303 0.053 Uiso 1 1 calc R U . . .
C3_41 C 0.1166(2) 0.0112(2) 0.83210(12) 0.0366(15) Uani 1 1 d . . . . .
C4_41 C 0.1395(2) 0.0388(2) 0.83287(11) 0.0405(15) Uani 1 1 d . . . . .
H4_41 H 0.1741 0.0225 0.8340 0.049 Uiso 1 1 calc R U . . .
C5_41 C 0.1129(3) 0.0909(2) 0.83198(12) 0.0412(16) Uani 1 1 d . . . . .
C6_41 C 0.0630(2) 0.1142(2) 0.83042(11) 0.0367(14) Uani 1 1 d . . . . .
H6_41 H 0.0449 0.1492 0.8297 0.044 Uiso 1 1 calc R U . . .
C7_41 C -0.0169(2) 0.1131(2) 0.82956(12) 0.0419(16) Uani 1 1 d . . . . .
C8_41 C -0.0447(2) 0.0862(2) 0.83963(11) 0.0390(15) Uani 1 1 d . . . . .
H8_41 H -0.0279 0.0507 0.8460 0.047 Uiso 1 1 calc R U . . .
C9_41 C -0.0957(2) 0.1097(2) 0.84050(13) 0.0472(17) Uani 1 1 d . . . . .
H9_41 H -0.1140 0.0911 0.8480 0.057 Uiso 1 1 calc R U . . .
C10_41 C -0.1198(2) 0.1628(2) 0.82965(12) 0.0394(15) Uani 1 1 d D . . . .
C11_41 C -0.0939(2) 0.1898(3) 0.82010(12) 0.0466(16) Uani 1 1 d . . . . .
H11_41 H -0.1106 0.2253 0.8139 0.056 Uiso 1 1 calc R U . . .
C12_41 C -0.0409(2) 0.1644(2) 0.81946(11) 0.0435(16) Uani 1 1 d . . . . .
H12_41 H -0.0226 0.1829 0.8121 0.052 Uiso 1 1 calc R U . . .
C13_41 C -0.1727(3) 0.1884(3) 0.83163(13) 0.0484(17) Uani 1 1 d . . . . .
C14_41 C 0.1446(2) -0.0439(2) 0.83351(12) 0.0417(16) Uani 1 1 d . . . . .
C15_41 C 0.1869(2) -0.0744(2) 0.84644(12) 0.0432(16) Uani 1 1 d . . . . .
H15_41 H 0.1992 -0.0601 0.8550 0.052 Uiso 1 1 calc R U . . .
C16_41 C 0.2123(2) -0.1254(2) 0.84733(13) 0.0483(17) Uani 1 1 d . . . . .
H16_41 H 0.2407 -0.1455 0.8572 0.058 Uiso 1 1 calc R U . . .
C17_41 C 0.1975(2) -0.1476(2) 0.83433(13) 0.0451(16) Uani 1 1 d D . . . .
C18_41 C 0.1550(3) -0.1166(2) 0.82003(14) 0.0565(19) Uani 1 1 d . . . . .
H18_41 H 0.1439 -0.1309 0.8107 0.068 Uiso 1 1 calc R U . . .
C19_41 C 0.1296(2) -0.0658(2) 0.81942(12) 0.0434(16) Uani 1 1 d . . . . .
H19_41 H 0.1015 -0.0454 0.8094 0.052 Uiso 1 1 calc R U . . .
C20_41 C 0.2233(3) -0.2004(2) 0.83416(14) 0.0483(17) Uani 1 1 d . . . . .
C21_41 C 0.1405(2) 0.1193(2) 0.83196(13) 0.0423(16) Uani 1 1 d . . . . .
C22_41 C 0.1270(2) 0.1669(2) 0.81526(14) 0.0512(18) Uani 1 1 d . . . . .
H22_41 H 0.1011 0.1809 0.8039 0.061 Uiso 1 1 calc R U . . .
C23_41 C 0.1510(2) 0.1932(2) 0.81525(14) 0.0539(18) Uani 1 1 d . . . . .
H23_41 H 0.1413 0.2258 0.8037 0.065 Uiso 1 1 calc R U . . .
C24_41 C 0.1898(3) 0.1742(2) 0.83160(15) 0.0569(19) Uani 1 1 d D . . . .
C25_41 C 0.2019(2) 0.1260(2) 0.84999(14) 0.0536(18) Uani 1 1 d . . . . .
H25_41 H 0.2261 0.1128 0.8624 0.064 Uiso 1 1 calc R U . . .
C26_41 C 0.1778(3) 0.0991(2) 0.84940(14) 0.0539(18) Uani 1 1 d . . . . .
H26_41 H 0.1865 0.0666 0.8609 0.065 Uiso 1 1 calc R U . . .
C27_41 C 0.2149(3) 0.2022(2) 0.83137(17) 0.0561(19) Uani 1 1 d . . . . .
O1_41 O -0.19716(17) 0.16259(18) 0.84206(9) 0.0642(13) Uani 1 1 d . . . . .
O2_41 O -0.19399(16) 0.23629(17) 0.82304(10) 0.0611(13) Uani 1 1 d . . . . .
H2A_41 H -0.2247 0.2470 0.8257 0.092 Uiso 1 1 calc DR U . . .
O3_41 O 0.26095(18) -0.22748(15) 0.84846(10) 0.0601(13) Uani 1 1 d . . . . .
H3A_41 H 0.2774 -0.2556 0.8444 0.090 Uiso 1 1 calc DR U . . .
O4_41 O 0.20902(16) -0.21879(15) 0.82156(9) 0.0589(13) Uani 1 1 d . . . . .
O5_41 O 0.20598(18) 0.24295(16) 0.81465(10) 0.0696(14) Uani 1 1 d . . . . .
O6_41 O 0.2468(2) 0.18237(17) 0.84909(10) 0.0710(14) Uani 1 1 d . . . . .
H6A_41 H 0.2616 0.1999 0.8466 0.107 Uiso 1 1 calc DR U . . .
C1_42 C 0.1023(2) 0.0690(2) 0.76034(11) 0.0319(14) Uani 1 1 d . . . . .
C2_42 C 0.1314(2) 0.01851(18) 0.75820(11) 0.0304(13) Uani 1 1 d . . . . .
H2_42 H 0.1153 0.0008 0.7559 0.036 Uiso 1 1 calc R U . . .
C3_42 C 0.1818(2) -0.0064(2) 0.75921(11) 0.0371(15) Uani 1 1 d . . . . .
C4_42 C 0.2052(2) 0.0194(2) 0.76283(12) 0.0366(15) Uani 1 1 d . . . . .
H4_42 H 0.2397 0.0020 0.7647 0.044 Uiso 1 1 calc R U . . .
C5_42 C 0.1800(2) 0.06959(19) 0.76382(11) 0.0360(15) Uani 1 1 d . . . . .
C6_42 C 0.1286(2) 0.0929(2) 0.76356(11) 0.0348(14) Uani 1 1 d . . . . .
H6_42 H 0.1106 0.1266 0.7657 0.042 Uiso 1 1 calc R U . . .
C7_42 C 0.0496(2) 0.0938(2) 0.76010(12) 0.0364(15) Uani 1 1 d . . . . .
C8_42 C 0.0208(2) 0.0683(2) 0.76866(11) 0.0381(15) Uani 1 1 d . . . . .
H8_42 H 0.0368 0.0327 0.7746 0.046 Uiso 1 1 calc R U . . .
C9_42 C -0.0295(2) 0.0924(2) 0.76891(12) 0.0396(15) Uani 1 1 d . . . . .
H9_42 H -0.0476 0.0735 0.7751 0.047 Uiso 1 1 calc R U . . .
C10_42 C -0.0541(2) 0.1438(2) 0.76032(12) 0.0423(16) Uani 1 1 d D . . . .
C11_42 C -0.0278(2) 0.1710(2) 0.75161(12) 0.0426(16) Uani 1 1 d . . . . .
H11_42 H -0.0446 0.2066 0.7458 0.051 Uiso 1 1 calc R U . . .
C12_42 C 0.0233(2) 0.14664(19) 0.75117(11) 0.0324(14) Uani 1 1 d . . . . .
H12_42 H 0.0410 0.1659 0.7447 0.039 Uiso 1 1 calc R U . . .
C13_42 C -0.1075(2) 0.1697(2) 0.76159(13) 0.0407(15) Uani 1 1 d . . . . .
C14_42 C 0.2098(2) -0.0606(2) 0.75912(12) 0.0367(14) Uani 1 1 d . . . . .
C15_42 C 0.2488(2) -0.0925(2) 0.77503(14) 0.0496(17) Uani 1 1 d . . . . .
H15_42 H 0.2584 -0.0794 0.7858 0.060 Uiso 1 1 calc R U . . .
C16_42 C 0.2740(2) -0.1439(2) 0.77527(14) 0.0502(18) Uani 1 1 d . . . . .
H16_42 H 0.3011 -0.1650 0.7860 0.060 Uiso 1 1 calc R U . . .
C17_42 C 0.2608(3) -0.1644(2) 0.76044(15) 0.0555(19) Uani 1 1 d D . . . .
C18_42 C 0.2219(2) -0.1319(2) 0.74406(15) 0.0569(19) Uani 1 1 d . . . . .
H18_42 H 0.2129 -0.1455 0.7332 0.068 Uiso 1 1 calc R U . . .
C19_42 C 0.1957(2) -0.0803(2) 0.74295(13) 0.0481(17) Uani 1 1 d . . . . .
H19_42 H 0.1694 -0.0591 0.7317 0.058 Uiso 1 1 calc R U . . .
C20_42 C 0.2861(3) -0.2188(2) 0.76224(16) 0.0537(19) Uani 1 1 d . . . . .
C21_42 C 0.2044(2) 0.0986(2) 0.76517(12) 0.0364(14) Uani 1 1 d . . . . .
C22_42 C 0.1912(2) 0.1475(2) 0.74871(13) 0.0434(16) Uani 1 1 d . . . . .
H22_42 H 0.1650 0.1624 0.7374 0.052 Uiso 1 1 calc R U . . .
C23_42 C 0.2163(2) 0.1737(2) 0.74896(13) 0.0453(16) Uani 1 1 d . . . . .
H23_42 H 0.2081 0.2063 0.7376 0.054 Uiso 1 1 calc R U . . .
C24_42 C 0.2537(2) 0.1516(2) 0.76613(14) 0.0469(17) Uani 1 1 d D . . . .
C25_42 C 0.2653(3) 0.1049(2) 0.78322(14) 0.0558(19) Uani 1 1 d . . . . .
H25_42 H 0.2892 0.0914 0.7958 0.067 Uiso 1 1 calc R U . . .
C26_42 C 0.2419(2) 0.0779(2) 0.78187(13) 0.0460(16) Uani 1 1 d . . . . .
H26_42 H 0.2517 0.0446 0.7926 0.055 Uiso 1 1 calc R U . . .
C27_42 C 0.2807(3) 0.1806(3) 0.76623(17) 0.060(2) Uani 1 1 d . . . . .
O1_42 O -0.13317(15) 0.14754(15) 0.77111(8) 0.0456(11) Uani 1 1 d . . . . .
O2_42 O -0.12849(16) 0.21924(16) 0.75311(9) 0.0552(12) Uani 1 1 d . . . . .
H2A_42 H -0.1590 0.2308 0.7570 0.083 Uiso 1 1 calc DR U . . .
O3_42 O 0.31937(17) -0.24706(16) 0.77726(10) 0.0600(13) Uani 1 1 d . . . . .
H3A_42 H 0.3301 -0.2768 0.7759 0.090 Uiso 1 1 calc DR U . . .
O4_42 O 0.2705(2) -0.23475(16) 0.74699(11) 0.0833(17) Uani 1 1 d . . . . .
O5_42 O 0.27296(19) 0.22024(18) 0.74836(11) 0.0753(15) Uani 1 1 d . . . . .
O6_42 O 0.30759(18) 0.16405(16) 0.78567(10) 0.0663(14) Uani 1 1 d . . . . .
H6A_42 H 0.3170 0.1852 0.7856 0.099 Uiso 1 1 calc DR U . . .
C1_43 C 0.0012(2) 0.1207(2) 0.68860(12) 0.0407(16) Uani 1 1 d . . . . .
C2_43 C 0.0529(2) 0.0951(2) 0.68847(12) 0.0378(15) Uani 1 1 d . . . . .
H2_43 H 0.0688 0.0598 0.6899 0.045 Uiso 1 1 calc R U . . .
C3_43 C 0.0814(2) 0.1183(2) 0.68638(11) 0.0359(15) Uani 1 1 d . . . . .
C4_43 C 0.0569(2) 0.1709(2) 0.68338(11) 0.0364(15) Uani 1 1 d . . . . .
H4_43 H 0.0760 0.1882 0.6813 0.044 Uiso 1 1 calc R U . . .
C5_43 C 0.0063(2) 0.1985(2) 0.68335(12) 0.0362(15) Uani 1 1 d . . . . .
C6_43 C -0.0224(2) 0.1739(2) 0.68550(12) 0.0392(15) Uani 1 1 d . . . . .
H6_43 H -0.0572 0.1925 0.6849 0.047 Uiso 1 1 calc R U . . .
C7_43 C -0.0283(2) 0.0947(2) 0.69082(13) 0.0413(16) Uani 1 1 d . . . . .
C8_43 C -0.0151(2) 0.0470(2) 0.70774(13) 0.0508(18) Uani 1 1 d . . . . .
H8_43 H 0.0122 0.0320 0.7183 0.061 Uiso 1 1 calc R U . . .
C9_43 C -0.0422(3) 0.0216(2) 0.70913(14) 0.0546(19) Uani 1 1 d . . . . .
H9_43 H -0.0337 -0.0105 0.7211 0.066 Uiso 1 1 calc R U . . .
C10_43 C -0.0813(3) 0.0419(2) 0.69335(13) 0.0471(17) Uani 1 1 d D . . . .
C11_43 C -0.0943(2) 0.0890(2) 0.67752(14) 0.0506(18) Uani 1 1 d . . . . .
H11_43 H -0.1218 0.1040 0.6671 0.061 Uiso 1 1 calc R U . . .
C12_43 C -0.0688(2) 0.1159(2) 0.67605(13) 0.0449(16) Uani 1 1 d . . . . .
H12_43 H -0.0791 0.1489 0.6649 0.054 Uiso 1 1 calc R U . . .
C13_43 C -0.1088(3) 0.0142(3) 0.69424(15) 0.0530(18) Uani 1 1 d . . . . .
C14_43 C 0.1346(2) 0.0906(2) 0.68673(11) 0.0324(14) Uani 1 1 d . . . . .
C15_43 C 0.1622(2) 0.1074(2) 0.69495(11) 0.0376(15) Uani 1 1 d . . . . .
H15_43 H 0.1454 0.1383 0.7007 0.045 Uiso 1 1 calc R U . . .
C16_43 C 0.2121(2) 0.0818(2) 0.69523(12) 0.0396(15) Uani 1 1 d . . . . .
H16_43 H 0.2291 0.0953 0.7008 0.047 Uiso 1 1 calc R U . . .
C17_43 C 0.2385(2) 0.0360(2) 0.68746(11) 0.0330(14) Uani 1 1 d D . . . .
C18_43 C 0.2126(2) 0.0175(2) 0.67946(10) 0.0361(14) Uani 1 1 d . . . . .
H18_43 H 0.2298 -0.0135 0.6739 0.043 Uiso 1 1 calc R U . . .
C19_43 C 0.1617(2) 0.0434(2) 0.67936(11) 0.0389(15) Uani 1 1 d . . . . .
H19_43 H 0.1447 0.0293 0.6743 0.047 Uiso 1 1 calc R U . . .
C20_43 C 0.2921(2) 0.0087(2) 0.68792(13) 0.0396(15) Uani 1 1 d . . . . .
C21_43 C -0.0188(2) 0.2532(2) 0.68297(13) 0.0376(15) Uani 1 1 d . . . . .
C22_43 C -0.0596(2) 0.2859(2) 0.66818(13) 0.0464(17) Uani 1 1 d . . . . .
H22_43 H -0.0711 0.2732 0.6581 0.056 Uiso 1 1 calc R U . . .
C23_43 C -0.0840(2) 0.3376(2) 0.66818(14) 0.0471(17) Uani 1 1 d . . . . .
H23_43 H -0.1126 0.3597 0.6587 0.057 Uiso 1 1 calc R U . . .
C24_43 C -0.0652(2) 0.3559(2) 0.68252(13) 0.0428(16) Uani 1 1 d D . . . .
C25_43 C -0.0245(2) 0.3234(2) 0.69695(14) 0.0513(18) Uani 1 1 d . . . . .
H25_43 H -0.0126 0.3355 0.7072 0.062 Uiso 1 1 calc R U . . .
C26_43 C -0.0010(2) 0.2726(2) 0.69636(13) 0.0489(17) Uani 1 1 d . . . . .
H26_43 H 0.0281 0.2507 0.7054 0.059 Uiso 1 1 calc R U . . .
C27_43 C -0.0917(2) 0.4096(2) 0.68289(15) 0.0466(17) Uani 1 1 d . . . . .
O1_43 O -0.0967(2) -0.02896(19) 0.71138(12) 0.0868(17) Uani 1 1 d . . . . .
O2_43 O -0.14194(18) 0.03240(16) 0.67928(11) 0.0633(14) Uani 1 1 d . . . . .
H2A_43 H -0.1516 0.0110 0.6804 0.095 Uiso 1 1 calc DR U . . .
O3_43 O 0.31280(15) 0.02796(15) 0.69704(9) 0.0551(12) Uani 1 1 d . . . . .
H3A_43 H 0.3426 0.0075 0.6987 0.083 Uiso 1 1 calc DR U . . .
O4_43 O 0.31641(15) -0.03055(15) 0.67957(8) 0.0500(11) Uani 1 1 d . . . . .
O5_43 O -0.12550(17) 0.43787(15) 0.66726(10) 0.0601(13) Uani 1 1 d . . . . .
O6_43 O -0.07824(18) 0.42471(15) 0.69853(11) 0.0713(15) Uani 1 1 d . . . . .
H6A_43 H -0.0977 0.4551 0.6983 0.107 Uiso 1 1 calc DR U . . .
C1_44 C 0.1409(2) 0.1258(2) 0.61443(11) 0.0355(14) Uani 1 1 d . . . . .
C2_44 C 0.1133(2) 0.0996(2) 0.61698(12) 0.0432(16) Uani 1 1 d . . . . .
H2_44 H 0.1299 0.0640 0.6194 0.052 Uiso 1 1 calc R U . . .
C3_44 C 0.0626(2) 0.1246(2) 0.61601(11) 0.0344(14) Uani 1 1 d . . . . .
C4_44 C 0.0377(2) 0.1771(2) 0.61405(11) 0.0380(15) Uani 1 1 d . . . . .
H4_44 H 0.0029 0.1946 0.6136 0.046 Uiso 1 1 calc R U . . .
C5_44 C 0.0646(2) 0.2036(2) 0.61272(12) 0.0377(15) Uani 1 1 d . . . . .
C6_44 C 0.1149(2) 0.1778(2) 0.61232(12) 0.0382(15) Uani 1 1 d . . . . .
H6_44 H 0.1329 0.1960 0.6105 0.046 Uiso 1 1 calc R U . . .
C7_44 C 0.1956(2) 0.0989(2) 0.61395(12) 0.0403(16) Uani 1 1 d . . . . .
C8_44 C 0.2220(2) 0.0518(2) 0.60668(11) 0.0368(14) Uani 1 1 d . . . . .
H8_44 H 0.2050 0.0377 0.6016 0.044 Uiso 1 1 calc R U . . .
C9_44 C 0.2719(2) 0.0267(2) 0.60701(10) 0.0355(14) Uani 1 1 d . . . . .
H9_44 H 0.2896 -0.0042 0.6014 0.043 Uiso 1 1 calc R U . . .
C10_44 C 0.2979(2) 0.0459(2) 0.61550(11) 0.0340(14) Uani 1 1 d D . . . .
C11_44 C 0.2708(2) 0.0907(2) 0.62421(11) 0.0355(14) Uani 1 1 d . . . . .
H11_44 H 0.2874 0.1037 0.6306 0.043 Uiso 1 1 calc R U . . .
C12_44 C 0.2210(2) 0.1163(2) 0.62373(11) 0.0377(15) Uani 1 1 d . . . . .
H12_44 H 0.2033 0.1464 0.6302 0.045 Uiso 1 1 calc R U . . .
C13_44 C 0.3507(2) 0.0193(2) 0.61485(13) 0.0426(16) Uani 1 1 d . . . . .
C14_44 C 0.0351(2) 0.0968(2) 0.61845(12) 0.0404(16) Uani 1 1 d . . . . .
C15_44 C -0.0071(2) 0.1184(2) 0.60363(13) 0.0470(17) Uani 1 1 d . . . . .
H15_44 H -0.0170 0.1510 0.5921 0.056 Uiso 1 1 calc R U . . .
C16_44 C -0.0334(2) 0.0927(2) 0.60588(13) 0.0468(17) Uani 1 1 d . . . . .
H16_44 H -0.0615 0.1078 0.5960 0.056 Uiso 1 1 calc R U . . .
C17_44 C -0.0195(2) 0.0453(2) 0.62237(13) 0.0413(16) Uani 1 1 d D . . . .
C18_44 C 0.0220(2) 0.0229(2) 0.63665(13) 0.0471(17) Uani 1 1 d . . . . .
H18_44 H 0.0321 -0.0103 0.6476 0.057 Uiso 1 1 calc R U . . .
C19_44 C 0.0490(2) 0.0486(2) 0.63511(12) 0.0406(15) Uani 1 1 d . . . . .
H19_44 H 0.0767 0.0335 0.6453 0.049 Uiso 1 1 calc R U . . .
C20_44 C -0.0480(3) 0.0171(2) 0.62437(14) 0.0468(17) Uani 1 1 d . . . . .
C21_44 C 0.0365(2) 0.2589(2) 0.61203(12) 0.0358(15) Uani 1 1 d . . . . .
C22_44 C 0.0535(2) 0.27925(19) 0.62595(12) 0.0403(15) Uani 1 1 d . . . . .
H22_44 H 0.0823 0.2579 0.6353 0.048 Uiso 1 1 calc R U . . .
C23_44 C 0.0298(2) 0.3284(2) 0.62625(13) 0.0472(17) Uani 1 1 d . . . . .
H23_44 H 0.0414 0.3417 0.6359 0.057 Uiso 1 1 calc R U . . .
C24_44 C -0.0128(2) 0.3602(2) 0.61193(13) 0.0444(16) Uani 1 1 d D . . . .
C25_44 C -0.0306(2) 0.3395(2) 0.59909(13) 0.0502(17) Uani 1 1 d . . . . .
H25_44 H -0.0605 0.3600 0.5906 0.060 Uiso 1 1 calc R U . . .
C26_44 C -0.0053(2) 0.2900(2) 0.59863(13) 0.0470(17) Uani 1 1 d . . . . .
H26_44 H -0.0167 0.2767 0.5889 0.056 Uiso 1 1 calc R U . . .
C27_44 C -0.0412(3) 0.4141(2) 0.61303(14) 0.0489(17) Uani 1 1 d . . . . .
O1_44 O 0.37504(15) -0.02009(16) 0.60623(8) 0.0513(11) Uani 1 1 d . . . . .
O2_44 O 0.37170(14) 0.03720(15) 0.62574(9) 0.0501(11) Uani 1 1 d . . . . .
H2A_44 H 0.4017 0.0170 0.6268 0.075 Uiso 1 1 calc DR U . . .
O3_44 O -0.08320(18) 0.03934(16) 0.60840(11) 0.0646(14) Uani 1 1 d . . . . .
H3A_44 H -0.0995 0.0231 0.6120 0.097 Uiso 1 1 calc DR U . . .
O4_44 O -0.03697(17) -0.02436(16) 0.63975(10) 0.0643(14) Uani 1 1 d . . . . .
O5_44 O -0.02580(17) 0.43099(14) 0.62750(9) 0.0577(13) Uani 1 1 d . . . . .
O6_44 O -0.07898(18) 0.44146(15) 0.59995(10) 0.0605(13) Uani 1 1 d . . . . .
H6A_44 H -0.0887 0.4718 0.5998 0.091 Uiso 1 1 calc DR U . . .
C1_45 C 0.1996(2) 0.1330(2) 0.54161(12) 0.0437(16) Uani 1 1 d . . . . .
C2_45 C 0.1722(2) 0.1063(2) 0.54305(11) 0.0397(15) Uani 1 1 d . . . . .
H2_45 H 0.1897 0.0713 0.5436 0.048 Uiso 1 1 calc R U . . .
C3_45 C 0.1231(2) 0.1289(2) 0.54362(12) 0.0395(15) Uani 1 1 d . . . . .
C4_45 C 0.0966(2) 0.1815(2) 0.54111(12) 0.0420(16) Uani 1 1 d . . . . .
H4_45 H 0.0619 0.1976 0.5407 0.050 Uiso 1 1 calc R U . . .
C5_45 C 0.1205(3) 0.2099(2) 0.53927(12) 0.0433(16) Uani 1 1 d . . . . .
C6_45 C 0.1710(3) 0.1856(2) 0.53888(12) 0.0472(17) Uani 1 1 d . . . . .
H6_45 H 0.1877 0.2052 0.5366 0.057 Uiso 1 1 calc R U . . .
C7_45 C 0.2529(2) 0.1075(2) 0.54175(12) 0.0413(16) Uani 1 1 d . . . . .
C8_45 C 0.2822(2) 0.0622(2) 0.53239(11) 0.0409(15) Uani 1 1 d . . . . .
H8_45 H 0.2667 0.0489 0.5254 0.049 Uiso 1 1 calc R U . . .
C9_45 C 0.3330(2) 0.0371(2) 0.53325(11) 0.0378(14) Uani 1 1 d . . . . .
H9_45 H 0.3515 0.0067 0.5272 0.045 Uiso 1 1 calc R U . . .
C10_45 C 0.3574(2) 0.0566(2) 0.54306(12) 0.0423(16) Uani 1 1 d D . . . .
C11_45 C 0.3288(2) 0.1014(2) 0.55146(12) 0.0450(16) Uani 1 1 d . . . . .
H11_45 H 0.3445 0.1155 0.5577 0.054 Uiso 1 1 calc R U . . .
C12_45 C 0.2776(2) 0.1265(2) 0.55102(11) 0.0399(15) Uani 1 1 d . . . . .
H12_45 H 0.2593 0.1569 0.5571 0.048 Uiso 1 1 calc R U . . .
C13_45 C 0.4096(3) 0.0291(2) 0.54277(13) 0.0428(16) Uani 1 1 d . . . . .
C14_45 C 0.0949(2) 0.1000(2) 0.54651(14) 0.0502(18) Uani 1 1 d . . . . .
C15_45 C 0.0541(2) 0.1210(2) 0.53134(14) 0.0529(18) Uani 1 1 d . . . . .
H15_45 H 0.0452 0.1528 0.5190 0.063 Uiso 1 1 calc R U . . .
C16_45 C 0.0269(3) 0.0953(2) 0.53441(15) 0.061(2) Uani 1 1 d . . . . .
H16_45 H -0.0017 0.1109 0.5248 0.074 Uiso 1 1 calc R U . . .
C17_45 C 0.0396(3) 0.0486(2) 0.55062(15) 0.0562(19) Uani 1 1 d D . . . .
C18_45 C 0.0825(2) 0.0261(2) 0.56483(14) 0.0530(18) Uani 1 1 d . . . . .
H18_45 H 0.0934 -0.0071 0.5758 0.064 Uiso 1 1 calc R U . . .
C19_45 C 0.1085(2) 0.0532(2) 0.56246(12) 0.0430(16) Uani 1 1 d . . . . .
H19_45 H 0.1365 0.0384 0.5723 0.052 Uiso 1 1 calc R U . . .
C20_45 C 0.0132(2) 0.0214(2) 0.55325(15) 0.0503(18) Uani 1 1 d . . . . .
C21_45 C 0.0916(2) 0.2645(2) 0.53953(12) 0.0423(16) Uani 1 1 d . . . . .
C22_45 C 0.1059(3) 0.2859(2) 0.55362(13) 0.0499(17) Uani 1 1 d . . . . .
H22_45 H 0.1358 0.2659 0.5620 0.060 Uiso 1 1 calc R U . . .
C23_45 C 0.0787(3) 0.3348(2) 0.55600(13) 0.0501(17) Uani 1 1 d . . . . .
H23_45 H 0.0879 0.3479 0.5671 0.060 Uiso 1 1 calc R U . . .
C24_45 C 0.0384(3) 0.3638(2) 0.54202(15) 0.0561(19) Uani 1 1 d D . . . .
C25_45 C 0.0232(3) 0.3450(2) 0.52629(15) 0.064(2) Uani 1 1 d . . . . .
H25_45 H -0.0054 0.3656 0.5167 0.077 Uiso 1 1 calc R U . . .
C26_45 C 0.0525(3) 0.2938(2) 0.52547(17) 0.070(2) Uani 1 1 d . . . . .
H26_45 H 0.0440 0.2800 0.5145 0.084 Uiso 1 1 calc R U . . .
C27_45 C 0.0076(3) 0.4173(3) 0.54419(16) 0.060(2) Uani 1 1 d . . . . .
O1_45 O 0.43493(16) -0.00895(17) 0.53384(9) 0.0557(12) Uani 1 1 d . . . . .
O2_45 O 0.42937(15) 0.04859(16) 0.55371(9) 0.0535(11) Uani 1 1 d . . . . .
H2A_45 H 0.4601 0.0310 0.5532 0.080 Uiso 1 1 calc DR U . . .
O3_45 O -0.0232(2) 0.0427(2) 0.53745(12) 0.0930(19) Uani 1 1 d . . . . .
H3A_45 H -0.0350 0.0229 0.5391 0.139 Uiso 1 1 calc DR U . . .
O4_45 O 0.02188(16) -0.02026(16) 0.56986(10) 0.0609(13) Uani 1 1 d . . . . .
O5_45 O 0.02107(19) 0.43357(16) 0.55885(11) 0.0766(16) Uani 1 1 d . . . . .
O6_45 O -0.0303(2) 0.44418(16) 0.53079(12) 0.0836(17) Uani 1 1 d . . . . .
H6A_45 H -0.0473 0.4714 0.5358 0.125 Uiso 1 1 calc DR U . . .
C1_46 C 0.6187(2) -0.0268(2) 0.40229(12) 0.0391(15) Uani 1 1 d . . . . .
C2_46 C 0.6035(2) -0.0641(2) 0.41465(13) 0.0445(16) Uani 1 1 d . . . . .
H2_46 H 0.6107 -0.0892 0.4054 0.053 Uiso 1 1 calc R U . . .
C3_46 C 0.5780(2) -0.0655(2) 0.44036(12) 0.0412(15) Uani 1 1 d . . . . .
C4_46 C 0.5688(2) -0.0274(2) 0.45375(14) 0.0472(17) Uani 1 1 d . . . . .
H4_46 H 0.5535 -0.0283 0.4717 0.057 Uiso 1 1 calc R U . . .
C5_46 C 0.5816(2) 0.0097(2) 0.44131(13) 0.0413(16) Uani 1 1 d . . . . .
C6_46 C 0.6066(2) 0.0107(2) 0.41561(14) 0.0481(18) Uani 1 1 d . . . . .
H6_46 H 0.6154 0.0371 0.4072 0.058 Uiso 1 1 calc R U . . .
C7_46 C 0.6475(2) -0.0270(2) 0.37456(13) 0.0416(16) Uani 1 1 d . . . . .
C8_46 C 0.6426(2) -0.0499(2) 0.35634(13) 0.0454(16) Uani 1 1 d . . . . .
H8_46 H 0.6212 -0.0652 0.3611 0.055 Uiso 1 1 calc R U . . .
C9_46 C 0.6693(2) -0.0497(2) 0.33165(13) 0.0477(17) Uani 1 1 d . . . . .
H9_46 H 0.6685 -0.0673 0.3198 0.057 Uiso 1 1 calc R U . . .
C10_46 C 0.6972(2) -0.0239(2) 0.32389(12) 0.0381(15) Uani 1 1 d D . . . .
C11_46 C 0.6986(2) 0.0001(2) 0.34145(14) 0.0445(17) Uani 1 1 d . . . . .
H11_46 H 0.7171 0.0187 0.3360 0.053 Uiso 1 1 calc R U . . .
C12_46 C 0.6745(2) -0.0018(2) 0.36645(12) 0.0393(15) Uani 1 1 d . . . . .
H12_46 H 0.6767 0.0149 0.3783 0.047 Uiso 1 1 calc R U . . .
C13_46 C 0.7265(2) -0.0216(2) 0.29518(14) 0.0463(17) Uani 1 1 d . . . . .
C14_46 C 0.5662(2) -0.1077(2) 0.45468(13) 0.0399(15) Uani 1 1 d . . . . .
C15_46 C 0.5700(3) -0.1265(3) 0.48240(13) 0.063(2) Uani 1 1 d . . . . .
H15_46 H 0.5805 -0.1122 0.4920 0.076 Uiso 1 1 calc R U . . .
C16_46 C 0.5585(3) -0.1661(2) 0.49649(14) 0.0597(19) Uani 1 1 d . . . . .
H16_46 H 0.5639 -0.1808 0.5151 0.072 Uiso 1 1 calc R U . . .
C17_46 C 0.5392(3) -0.1830(2) 0.48248(15) 0.0556(19) Uani 1 1 d D . . . .
C18_46 C 0.5353(3) -0.1646(2) 0.45429(14) 0.0559(19) Uani 1 1 d . . . . .
H18_46 H 0.5236 -0.1781 0.4449 0.067 Uiso 1 1 calc R U . . .
C19_46 C 0.5486(2) -0.1269(2) 0.44037(14) 0.0473(17) Uani 1 1 d . . . . .
H19_46 H 0.5459 -0.1142 0.4215 0.057 Uiso 1 1 calc R U . . .
C20_46 C 0.5243(3) -0.2225(3) 0.49660(15) 0.060(2) Uani 1 1 d . . . . .
C21_46 C 0.5683(2) 0.0514(2) 0.45499(14) 0.0498(17) Uani 1 1 d . . . . .
C22_46 C 0.5520(2) 0.1002(2) 0.44076(12) 0.0391(15) Uani 1 1 d . . . . .
H22_46 H 0.5507 0.1080 0.4217 0.047 Uiso 1 1 calc R U . . .
C23_46 C 0.5375(2) 0.1381(2) 0.45371(14) 0.0486(17) Uani 1 1 d . . . . .
H23_46 H 0.5251 0.1720 0.4437 0.058 Uiso 1 1 calc R U . . .
C24_46 C 0.5409(2) 0.1275(2) 0.48125(14) 0.0452(16) Uani 1 1 d D . . . .
C25_46 C 0.5575(2) 0.0783(2) 0.49601(15) 0.059(2) Uani 1 1 d . . . . .
H25_46 H 0.5603 0.0703 0.5149 0.071 Uiso 1 1 calc R U . . .
C26_46 C 0.5702(2) 0.0405(2) 0.48250(14) 0.0508(17) Uani 1 1 d . . . . .
H26_46 H 0.5804 0.0067 0.4925 0.061 Uiso 1 1 calc R U . . .
C27_46 C 0.5237(3) 0.1699(3) 0.49479(16) 0.0592(19) Uani 1 1 d . . . . .
O1_46 O 0.71930(16) -0.04392(15) 0.28057(9) 0.0516(11) Uani 1 1 d . . . . .
H1A_46 H 0.7339 -0.0401 0.2651 0.077 Uiso 1 1 calc DR U . . .
O2_46 O 0.74914(15) 0.00184(16) 0.28908(8) 0.0447(11) Uani 1 1 d . . . . .
O3_46 O 0.52958(19) -0.23954(17) 0.52206(11) 0.0770(15) Uani 1 1 d . . . . .
H3A_46 H 0.5315 -0.2685 0.5268 0.116 Uiso 1 1 calc DR U . . .
O4_46 O 0.50538(17) 0.21447(15) 0.48124(9) 0.0584(13) Uani 1 1 d . . . . .
O5_46 O 0.50442(19) -0.23779(18) 0.48504(10) 0.0740(15) Uani 1 1 d . . . . .
O6_46 O 0.5310(2) 0.15670(17) 0.52004(11) 0.0871(18) Uani 1 1 d . . . . .
H6A_46 H 0.5332 0.1794 0.5243 0.131 Uiso 1 1 calc DR U . . .
C1_47 C 0.4799(2) 0.0515(2) 0.39927(13) 0.0454(17) Uani 1 1 d . . . . .
C2_47 C 0.4677(2) 0.0131(2) 0.41187(12) 0.0403(15) Uani 1 1 d . . . . .
H2_47 H 0.4757 -0.0122 0.4026 0.048 Uiso 1 1 calc R U . . .
C3_47 C 0.4437(2) 0.0098(2) 0.43809(12) 0.0342(14) Uani 1 1 d . . . . .
C4_47 C 0.4313(2) 0.0481(2) 0.45096(14) 0.0476(17) Uani 1 1 d . . . . .
H4_47 H 0.4150 0.0468 0.4687 0.057 Uiso 1 1 calc R U . . .
C5_47 C 0.4421(2) 0.0880(2) 0.43873(12) 0.0375(15) Uani 1 1 d . . . . .
C6_47 C 0.4656(2) 0.0903(2) 0.41311(13) 0.0421(16) Uani 1 1 d . . . . .
H6_47 H 0.4723 0.1181 0.4045 0.050 Uiso 1 1 calc R U . . .
C7_47 C 0.5055(2) 0.0553(2) 0.37168(13) 0.0420(16) Uani 1 1 d . . . . .
C8_47 C 0.5045(2) 0.0288(2) 0.35387(13) 0.0449(16) Uani 1 1 d . . . . .
H8_47 H 0.4867 0.0096 0.3595 0.054 Uiso 1 1 calc R U . . .
C9_47 C 0.5295(2) 0.0310(2) 0.32845(12) 0.0417(15) Uani 1 1 d . . . . .
H9_47 H 0.5280 0.0142 0.3164 0.050 Uiso 1 1 calc R U . . .
C10_47 C 0.5572(3) 0.0580(2) 0.32041(13) 0.0493(17) Uani 1 1 d D . . . .
C11_47 C 0.5573(2) 0.0835(2) 0.33766(13) 0.0407(16) Uani 1 1 d . . . . .
H11_47 H 0.5746 0.1032 0.3318 0.049 Uiso 1 1 calc R U . . .
C12_47 C 0.5337(2) 0.0820(2) 0.36289(13) 0.0413(15) Uani 1 1 d . . . . .
H12_47 H 0.5362 0.0989 0.3746 0.050 Uiso 1 1 calc R U . . .
C13_47 C 0.5859(2) 0.0590(2) 0.29288(13) 0.0456(17) Uani 1 1 d . . . . .
C14_47 C 0.4317(2) -0.0318(2) 0.45072(13) 0.0415(15) Uani 1 1 d . . . . .
C15_47 C 0.4348(2) -0.0524(2) 0.47856(14) 0.0556(19) Uani 1 1 d . . . . .
H15_47 H 0.4449 -0.0384 0.4886 0.067 Uiso 1 1 calc R U . . .
C16_47 C 0.4239(3) -0.0924(2) 0.49236(15) 0.0592(19) Uani 1 1 d . . . . .
H16_47 H 0.4268 -0.1060 0.5112 0.071 Uiso 1 1 calc R U . . .
C17_47 C 0.4082(2) -0.1113(2) 0.47628(15) 0.0540(18) Uani 1 1 d D . . . .
C18_47 C 0.4052(2) -0.0911(2) 0.44869(13) 0.0468(16) Uani 1 1 d . . . . .
H18_47 H 0.3956 -0.1047 0.4381 0.056 Uiso 1 1 calc R U . . .
C19_47 C 0.4157(2) -0.0522(2) 0.43679(13) 0.0470(17) Uani 1 1 d . . . . .
H19_47 H 0.4120 -0.0382 0.4180 0.056 Uiso 1 1 calc R U . . .
C20_47 C 0.3953(3) -0.1533(3) 0.49121(16) 0.059(2) Uani 1 1 d . . . . .
C21_47 C 0.4291(2) 0.1280(2) 0.45351(13) 0.0395(15) Uani 1 1 d . . . . .
C22_47 C 0.4158(2) 0.1775(2) 0.43904(14) 0.0479(17) Uani 1 1 d . . . . .
H22_47 H 0.4153 0.1854 0.4200 0.057 Uiso 1 1 calc R U . . .
C23_47 C 0.4034(2) 0.2151(2) 0.45211(13) 0.0464(17) Uani 1 1 d . . . . .
H23_47 H 0.3954 0.2486 0.4422 0.056 Uiso 1 1 calc R U . . .
C24_47 C 0.4028(2) 0.2023(2) 0.48107(14) 0.0473(17) Uani 1 1 d D . . . .
C25_47 C 0.4166(2) 0.1531(2) 0.49531(13) 0.0484(17) Uani 1 1 d . . . . .
H25_47 H 0.4176 0.1446 0.5144 0.058 Uiso 1 1 calc R U . . .
C26_47 C 0.4292(2) 0.1162(2) 0.48137(13) 0.0469(16) Uani 1 1 d . . . . .
H26_47 H 0.4380 0.0825 0.4911 0.056 Uiso 1 1 calc R U . . .
C27_47 C 0.3893(2) 0.2431(2) 0.49491(14) 0.0457(16) Uani 1 1 d . . . . .
O1_47 O 0.58499(17) 0.03292(19) 0.27871(9) 0.0614(13) Uani 1 1 d . . . . .
H1A_47 H 0.6024 0.0353 0.2641 0.092 Uiso 1 1 calc DR U . . .
O2_47 O 0.61005(17) 0.08347(17) 0.28664(8) 0.0566(12) Uani 1 1 d . . . . .
O3_47 O 0.40094(19) -0.17060(18) 0.51610(10) 0.0673(14) Uani 1 1 d . . . . .
H3A_47 H 0.3876 -0.1897 0.5225 0.101 Uiso 1 1 calc DR U . . .
O4_47 O 0.37734(18) -0.16714(17) 0.47655(9) 0.0688(14) Uani 1 1 d . . . . .
O5_47 O 0.37364(17) 0.28799(15) 0.48179(9) 0.0569(13) Uani 1 1 d . . . . .
O6_47 O 0.39245(18) 0.23043(16) 0.52020(10) 0.0657(13) Uani 1 1 d . . . . .
H6A_47 H 0.3802 0.2563 0.5264 0.099 Uiso 1 1 calc DR U . . .
C1_48 C 0.3439(2) 0.1384(2) 0.39348(13) 0.0466(17) Uani 1 1 d . . . . .
C2_48 C 0.3329(2) 0.0982(2) 0.40612(13) 0.0440(16) Uani 1 1 d . . . . .
H2_48 H 0.3422 0.0727 0.3967 0.053 Uiso 1 1 calc R U . . .
C3_48 C 0.3088(2) 0.0939(2) 0.43202(12) 0.0415(15) Uani 1 1 d . . . . .
C4_48 C 0.2956(2) 0.1312(2) 0.44602(13) 0.0455(16) Uani 1 1 d . . . . .
H4_48 H 0.2790 0.1289 0.4636 0.055 Uiso 1 1 calc R U . . .
C5_48 C 0.3063(2) 0.1712(2) 0.43461(12) 0.0363(15) Uani 1 1 d . . . . .
C6_48 C 0.3287(2) 0.1751(2) 0.40864(12) 0.0421(16) Uani 1 1 d . . . . .
H6_48 H 0.3341 0.2038 0.4005 0.051 Uiso 1 1 calc R U . . .
C7_48 C 0.3691(2) 0.1423(2) 0.36679(13) 0.0437(16) Uani 1 1 d . . . . .
C8_48 C 0.3688(2) 0.1188(2) 0.34845(12) 0.0459(16) Uani 1 1 d . . . . .
H8_48 H 0.3490 0.1018 0.3528 0.055 Uiso 1 1 calc R U . . .
C9_48 C 0.3968(3) 0.1189(2) 0.32330(13) 0.0528(18) Uani 1 1 d . . . . .
H9_48 H 0.3971 0.1004 0.3117 0.063 Uiso 1 1 calc R U . . .
C10_48 C 0.4238(2) 0.1453(2) 0.31533(13) 0.0454(16) Uani 1 1 d D . . . .
C11_48 C 0.4244(3) 0.1696(3) 0.33429(14) 0.0579(19) Uani 1 1 d . . . . .
H11_48 H 0.4442 0.1865 0.3299 0.070 Uiso 1 1 calc R U . . .
C12_48 C 0.3977(2) 0.1692(2) 0.35815(13) 0.0448(16) Uani 1 1 d . . . . .
H12_48 H 0.3978 0.1875 0.3698 0.054 Uiso 1 1 calc R U . . .
C13_48 C 0.4512(3) 0.1457(3) 0.29034(14) 0.0523(18) Uani 1 1 d . . . . .
C14_48 C 0.2986(2) 0.0513(2) 0.44346(14) 0.0475(17) Uani 1 1 d . . . . .
C15_48 C 0.3075(2) 0.0259(2) 0.47131(14) 0.0541(18) Uani 1 1 d . . . . .
H15_48 H 0.3207 0.0365 0.4817 0.065 Uiso 1 1 calc R U . . .
C16_48 C 0.2964(2) -0.0147(2) 0.48271(14) 0.0529(18) Uani 1 1 d . . . . .
H16_48 H 0.3030 -0.0321 0.5009 0.063 Uiso 1 1 calc R U . . .
C17_48 C 0.2760(2) -0.0302(2) 0.46808(15) 0.0525(18) Uani 1 1 d D . . . .
C18_48 C 0.2664(2) -0.0045(2) 0.44201(14) 0.0548(18) Uani 1 1 d . . . . .
H18_48 H 0.2515 -0.0139 0.4320 0.066 Uiso 1 1 calc R U . . .
C19_48 C 0.2779(2) 0.0349(2) 0.42971(13) 0.0442(16) Uani 1 1 d . . . . .
H19_48 H 0.2715 0.0512 0.4114 0.053 Uiso 1 1 calc R U . . .
C20_48 C 0.2643(3) -0.0713(3) 0.48130(16) 0.0575(19) Uani 1 1 d . . . . .
C21_48 C 0.2910(2) 0.2116(2) 0.44949(13) 0.0419(15) Uani 1 1 d . . . . .
C22_48 C 0.2785(2) 0.2612(2) 0.43566(14) 0.0494(17) Uani 1 1 d . . . . .
H22_48 H 0.2781 0.2699 0.4166 0.059 Uiso 1 1 calc R U . . .
C23_48 C 0.2668(2) 0.2977(2) 0.44904(13) 0.0464(16) Uani 1 1 d . . . . .
H23_48 H 0.2589 0.3311 0.4390 0.056 Uiso 1 1 calc R U . . .
C24_48 C 0.2662(2) 0.2873(2) 0.47583(14) 0.0432(16) Uani 1 1 d D . . . .
C25_48 C 0.2798(2) 0.2369(2) 0.49077(13) 0.0477(17) Uani 1 1 d . . . . .
H25_48 H 0.2813 0.2285 0.5098 0.057 Uiso 1 1 calc R U . . .
C26_48 C 0.2909(2) 0.1999(2) 0.47698(12) 0.0431(16) Uani 1 1 d . . . . .
H26_48 H 0.2984 0.1665 0.4868 0.052 Uiso 1 1 calc R U . . .
C27_48 C 0.2528(3) 0.3276(2) 0.49031(15) 0.0564(19) Uani 1 1 d . . . . .
O1_48 O 0.45191(18) 0.12265(18) 0.27403(9) 0.0614(13) Uani 1 1 d . . . . .
O2_48 O 0.47900(18) 0.16973(18) 0.28364(9) 0.0645(13) Uani 1 1 d . . . . .
H2A_48 H 0.4948 0.1652 0.2686 0.097 Uiso 1 1 calc DR U . . .
O3_48 O 0.27585(19) -0.09451(18) 0.50506(10) 0.0706(14) Uani 1 1 d . . . . .
H3A_48 H 0.2667 -0.1172 0.5103 0.106 Uiso 1 1 calc DR U . . .
O4_48 O 0.24039(19) -0.08221(17) 0.46875(10) 0.0700(14) Uani 1 1 d . . . . .
O5_48 O 0.24088(17) 0.37168(15) 0.47650(9) 0.0573(13) Uani 1 1 d . . . . .
O6_48 O 0.25372(18) 0.31469(15) 0.51585(10) 0.0628(13) Uani 1 1 d . . . . .
H6A_48 H 0.2456 0.3400 0.5219 0.094 Uiso 1 1 calc DR U . . .
C1_49 C 0.2037(2) 0.2281(2) 0.39234(14) 0.0470(17) Uani 1 1 d . . . . .
C2_49 C 0.1949(2) 0.1863(2) 0.40593(13) 0.0401(16) Uani 1 1 d . . . . .
H2_49 H 0.2047 0.1603 0.3969 0.048 Uiso 1 1 calc R U . . .
C3_49 C 0.1732(2) 0.1821(2) 0.43126(12) 0.0375(15) Uani 1 1 d . . . . .
C4_49 C 0.1574(2) 0.2212(2) 0.44411(13) 0.0472(17) Uani 1 1 d . . . . .
H4_49 H 0.1413 0.2190 0.4618 0.057 Uiso 1 1 calc R U . . .
C5_49 C 0.1643(2) 0.2623(2) 0.43199(13) 0.0476(17) Uani 1 1 d . . . . .
C6_49 C 0.1864(2) 0.2658(2) 0.40525(12) 0.0416(16) Uani 1 1 d . . . . .
H6_49 H 0.1891 0.2956 0.3960 0.050 Uiso 1 1 calc R U . . .
C7_49 C 0.2314(2) 0.2293(2) 0.36469(13) 0.0452(16) Uani 1 1 d . . . . .
C8_49 C 0.2331(2) 0.2017(2) 0.34773(13) 0.0435(16) Uani 1 1 d . . . . .
H8_49 H 0.2165 0.1813 0.3536 0.052 Uiso 1 1 calc R U . . .
C9_49 C 0.2578(2) 0.2031(2) 0.32304(13) 0.0422(16) Uani 1 1 d . . . . .
H9_49 H 0.2576 0.1842 0.3118 0.051 Uiso 1 1 calc R U . . .
C10_49 C 0.2841(2) 0.2321(2) 0.31341(13) 0.0417(16) Uani 1 1 d D . . . .
C11_49 C 0.2829(2) 0.2590(2) 0.33109(12) 0.0435(16) Uani 1 1 d . . . . .
H11_49 H 0.3012 0.2777 0.3259 0.052 Uiso 1 1 calc R U . . .
C12_49 C 0.2557(2) 0.2591(2) 0.35597(13) 0.0485(17) Uani 1 1 d . . . . .
H12_49 H 0.2537 0.2794 0.3670 0.058 Uiso 1 1 calc R U . . .
C13_49 C 0.3141(2) 0.2310(2) 0.28769(13) 0.0416(16) Uani 1 1 d . . . . .
C14_49 C 0.1649(3) 0.1366(2) 0.44438(13) 0.0526(18) Uani 1 1 d . . . . .
C15_49 C 0.1719(2) 0.1143(2) 0.47238(12) 0.0476(17) Uani 1 1 d . . . . .
H15_49 H 0.1824 0.1278 0.4826 0.057 Uiso 1 1 calc R U . . .
C16_49 C 0.1631(2) 0.0720(2) 0.48479(13) 0.0490(17) Uani 1 1 d . . . . .
H16_49 H 0.1699 0.0551 0.5030 0.059 Uiso 1 1 calc R U . . .
C17_49 C 0.1442(3) 0.0556(2) 0.46958(13) 0.0503(18) Uani 1 1 d D . . . .
C18_49 C 0.1356(3) 0.0788(2) 0.44252(13) 0.0533(18) Uani 1 1 d . . . . .
H18_49 H 0.1225 0.0675 0.4326 0.064 Uiso 1 1 calc R U . . .
C19_49 C 0.1466(2) 0.1189(2) 0.43031(13) 0.0474(17) Uani 1 1 d . . . . .
H19_49 H 0.1414 0.1345 0.4118 0.057 Uiso 1 1 calc R U . . .
C20_49 C 0.1333(3) 0.0123(2) 0.48259(15) 0.057(2) Uani 1 1 d . . . . .
C21_49 C 0.1468(3) 0.3051(2) 0.44515(13) 0.0513(18) Uani 1 1 d . . . . .
C22_49 C 0.1266(3) 0.3552(2) 0.43106(15) 0.070(2) Uani 1 1 d . . . . .
H22_49 H 0.1187 0.3640 0.4130 0.084 Uiso 1 1 calc R U . . .
C23_49 C 0.1184(3) 0.3918(3) 0.44392(17) 0.088(3) Uani 1 1 d . . . . .
H23_49 H 0.1095 0.4253 0.4336 0.106 Uiso 1 1 calc R U . . .
C24_49 C 0.1227(3) 0.3812(2) 0.47118(14) 0.0566(19) Uani 1 1 d D . . . .
C25_49 C 0.1421(3) 0.3318(2) 0.48458(14) 0.059(2) Uani 1 1 d . . . . .
H25_49 H 0.1485 0.3237 0.5029 0.071 Uiso 1 1 calc R U . . .
C26_49 C 0.1527(2) 0.2944(2) 0.47301(13) 0.0513(18) Uani 1 1 d . . . . .
H26_49 H 0.1640 0.2608 0.4834 0.062 Uiso 1 1 calc R U . . .
C27_49 C 0.1110(3) 0.4219(3) 0.48416(16) 0.072(2) Uani 1 1 d . . . . .
O1_49 O 0.31238(17) 0.20449(17) 0.27343(8) 0.0562(12) Uani 1 1 d . . . . .
H1A_49 H 0.3318 0.2043 0.2594 0.084 Uiso 1 1 calc DR U . . .
O2_49 O 0.33862(16) 0.25428(16) 0.28036(8) 0.0513(12) Uani 1 1 d . . . . .
O3_49 O 0.14769(18) -0.01197(16) 0.50646(9) 0.0587(13) Uani 1 1 d . . . . .
H3A_49 H 0.1389 -0.0349 0.5122 0.088 Uiso 1 1 calc DR U . . .
O4_49 O 0.1088(2) 0.00227(17) 0.47058(10) 0.0719(15) Uani 1 1 d . . . . .
O5_49 O 0.0946(2) 0.46672(18) 0.47011(10) 0.098(2) Uani 1 1 d . . . . .
O6_49 O 0.1189(2) 0.41034(16) 0.50920(10) 0.0747(16) Uani 1 1 d . . . . .
H6A_49 H 0.1124 0.4364 0.5140 0.112 Uiso 1 1 calc DR U . . .
C1_50 C 0.1405(2) 0.33838(19) 0.19286(11) 0.0342(14) Uani 1 1 d . . . . .
C2_50 C 0.1653(2) 0.2879(2) 0.19215(11) 0.0348(14) Uani 1 1 d . . . . .
H2_50 H 0.1478 0.2713 0.1904 0.042 Uiso 1 1 calc R U . . .
C3_50 C 0.2162(2) 0.2615(2) 0.19401(11) 0.0362(15) Uani 1 1 d . . . . .
C4_50 C 0.2412(2) 0.2849(2) 0.19815(12) 0.0395(15) Uani 1 1 d . . . . .
H4_50 H 0.2753 0.2664 0.2009 0.047 Uiso 1 1 calc R U . . .
C5_50 C 0.2159(2) 0.3359(2) 0.19825(11) 0.0337(14) Uani 1 1 d . . . . .
C6_50 C 0.1664(2) 0.3614(2) 0.19659(12) 0.0405(15) Uani 1 1 d . . . . .
H6_50 H 0.1493 0.3956 0.1980 0.049 Uiso 1 1 calc R U . . .
C7_50 C 0.0844(2) 0.3670(2) 0.19150(12) 0.0361(15) Uani 1 1 d . . . . .
C8_50 C 0.0556(3) 0.3435(2) 0.19886(14) 0.0544(19) Uani 1 1 d . . . . .
H8_50 H 0.0706 0.3080 0.2054 0.065 Uiso 1 1 calc R U . . .
C9_50 C 0.0060(3) 0.3684(2) 0.19742(14) 0.059(2) Uani 1 1 d . . . . .
H9_50 H -0.0131 0.3505 0.2033 0.070 Uiso 1 1 calc R U . . .
C10_50 C -0.0166(2) 0.4202(2) 0.18734(11) 0.0356(14) Uani 1 1 d D . . . .
C11_50 C 0.0120(2) 0.4443(2) 0.17990(12) 0.0483(17) Uani 1 1 d . . . . .
H11_50 H -0.0034 0.4799 0.1739 0.058 Uiso 1 1 calc R U . . .
C12_50 C 0.0635(2) 0.4186(2) 0.18075(12) 0.0438(16) Uani 1 1 d . . . . .
H12_50 H 0.0831 0.4358 0.1742 0.053 Uiso 1 1 calc R U . . .
C13_50 C -0.0694(2) 0.4452(2) 0.18685(12) 0.0412(16) Uani 1 1 d . . . . .
C14_50 C 0.2439(2) 0.2067(2) 0.19343(12) 0.0362(15) Uani 1 1 d . . . . .
C15_50 C 0.2845(2) 0.1739(2) 0.20860(14) 0.0469(17) Uani 1 1 d . . . . .
H15_50 H 0.2933 0.1859 0.2204 0.056 Uiso 1 1 calc R U . . .
C16_50 C 0.3118(2) 0.1244(2) 0.20659(12) 0.0439(16) Uani 1 1 d . . . . .
H16_50 H 0.3404 0.1031 0.2161 0.053 Uiso 1 1 calc R U . . .
C17_50 C 0.2979(3) 0.1058(2) 0.19102(13) 0.0453(17) Uani 1 1 d D . . . .
C18_50 C 0.2563(2) 0.1379(2) 0.17566(12) 0.0446(16) Uani 1 1 d . . . . .
H18_50 H 0.2467 0.1253 0.1646 0.054 Uiso 1 1 calc R U . . .
C19_50 C 0.2301(2) 0.1879(2) 0.17718(12) 0.0391(15) Uani 1 1 d . . . . .
H19_50 H 0.2024 0.2097 0.1670 0.047 Uiso 1 1 calc R U . . .
C20_50 C 0.3279(2) 0.0534(2) 0.18780(14) 0.0413(16) Uani 1 1 d . . . . .
C21_50 C 0.2444(2) 0.3635(2) 0.19897(14) 0.0452(17) Uani 1 1 d . . . . .
C22_50 C 0.2319(2) 0.4111(2) 0.18319(11) 0.0326(14) Uani 1 1 d . . . . .
H22_50 H 0.2056 0.4265 0.1719 0.039 Uiso 1 1 calc R U . . .
C23_50 C 0.2577(2) 0.4370(2) 0.18366(12) 0.0380(15) Uani 1 1 d . . . . .
H23_50 H 0.2488 0.4701 0.1728 0.046 Uiso 1 1 calc R U . . .
C24_50 C 0.2959(3) 0.4147(2) 0.19978(14) 0.0490(17) Uani 1 1 d D . . . .
C25_50 C 0.3087(3) 0.3665(2) 0.21621(14) 0.0549(19) Uani 1 1 d . . . . .
H25_50 H 0.3352 0.3509 0.2274 0.066 Uiso 1 1 calc R U . . .
C26_50 C 0.2815(2) 0.3418(2) 0.21583(13) 0.0486(17) Uani 1 1 d . . . . .
H26_50 H 0.2888 0.3095 0.2274 0.058 Uiso 1 1 calc R U . . .
C27_50 C 0.3236(3) 0.4425(3) 0.19864(16) 0.057(2) Uani 1 1 d . . . . .
O1_50 O -0.09628(15) 0.42453(15) 0.19624(9) 0.0587(13) Uani 1 1 d . . . . .
O2_50 O -0.08847(15) 0.49468(15) 0.17419(9) 0.0556(12) Uani 1 1 d . . . . .
H2A_50 H -0.1190 0.5065 0.1739 0.083 Uiso 1 1 calc DR U . . .
O3_50 O 0.36325(19) 0.02611(16) 0.20255(11) 0.0705(15) Uani 1 1 d . . . . .
H3A_50 H 0.3755 -0.0038 0.2011 0.106 Uiso 1 1 calc DR U . . .
O4_50 O 0.31741(16) 0.03731(14) 0.17149(9) 0.0545(12) Uani 1 1 d . . . . .
O5_50 O 0.31378(18) 0.48341(16) 0.18253(10) 0.0637(14) Uani 1 1 d . . . . .
O6_50 O 0.3570(2) 0.42156(19) 0.21623(12) 0.0816(17) Uani 1 1 d . . . . .
H6A_50 H 0.3669 0.4422 0.2164 0.122 Uiso 1 1 calc DR U . . .
C1_51 C 0.1978(2) 0.3406(2) 0.12144(11) 0.0357(15) Uani 1 1 d . . . . .
C2_51 C 0.2239(2) 0.2897(2) 0.12068(11) 0.0334(14) Uani 1 1 d . . . . .
H2_51 H 0.2064 0.2729 0.1190 0.040 Uiso 1 1 calc R U . . .
C3_51 C 0.2750(2) 0.2626(2) 0.12233(11) 0.0387(15) Uani 1 1 d . . . . .
C4_51 C 0.2991(2) 0.2892(2) 0.12462(12) 0.0369(15) Uani 1 1 d . . . . .
H4_51 H 0.3338 0.2722 0.1256 0.044 Uiso 1 1 calc R U . . .
C5_51 C 0.2741(2) 0.3387(2) 0.12549(12) 0.0371(15) Uani 1 1 d . . . . .
C6_51 C 0.2233(2) 0.3644(2) 0.12449(12) 0.0398(15) Uani 1 1 d . . . . .
H6_51 H 0.2060 0.3986 0.1259 0.048 Uiso 1 1 calc R U . . .
C7_51 C 0.1444(2) 0.3685(2) 0.11958(12) 0.0369(15) Uani 1 1 d . . . . .
C8_51 C 0.1147(2) 0.3427(2) 0.12826(12) 0.0447(16) Uani 1 1 d . . . . .
H8_51 H 0.1297 0.3073 0.1353 0.054 Uiso 1 1 calc R U . . .
C9_51 C 0.0642(3) 0.3687(2) 0.12655(13) 0.0535(18) Uani 1 1 d . . . . .
H9_51 H 0.0449 0.3511 0.1325 0.064 Uiso 1 1 calc R U . . .
C10_51 C 0.0418(2) 0.4203(2) 0.11621(11) 0.0330(14) Uani 1 1 d D . . . .
C11_51 C 0.0706(2) 0.4463(2) 0.10727(12) 0.0444(16) Uani 1 1 d . . . . .
H11_51 H 0.0556 0.4815 0.0999 0.053 Uiso 1 1 calc R U . . .
C12_51 C 0.1207(2) 0.4201(2) 0.10932(13) 0.0445(16) Uani 1 1 d . . . . .
H12_51 H 0.1398 0.4380 0.1035 0.053 Uiso 1 1 calc R U . . .
C13_51 C -0.0112(2) 0.4486(2) 0.11490(12) 0.0390(16) Uani 1 1 d . . . . .
C14_51 C 0.3024(2) 0.2099(2) 0.12072(12) 0.0384(15) Uani 1 1 d . . . . .
C15_51 C 0.3438(2) 0.1772(2) 0.13524(13) 0.0431(16) Uani 1 1 d . . . . .
H15_51 H 0.3536 0.1899 0.1462 0.052 Uiso 1 1 calc R U . . .
C16_51 C 0.3711(2) 0.1268(2) 0.13430(13) 0.0450(16) Uani 1 1 d . . . . .
H16_51 H 0.3993 0.1055 0.1442 0.054 Uiso 1 1 calc R U . . .
C17_51 C 0.3560(2) 0.1081(2) 0.11832(13) 0.0439(17) Uani 1 1 d D . . . .
C18_51 C 0.3143(2) 0.1389(2) 0.10496(13) 0.0424(16) Uani 1 1 d . . . . .
H18_51 H 0.3032 0.1256 0.0950 0.051 Uiso 1 1 calc R U . . .
C19_51 C 0.2882(2) 0.1890(2) 0.10569(12) 0.0420(16) Uani 1 1 d . . . . .
H19_51 H 0.2599 0.2098 0.0958 0.050 Uiso 1 1 calc R U . . .
C20_51 C 0.3841(2) 0.0547(2) 0.11644(14) 0.0437(16) Uani 1 1 d . . . . .
C21_51 C 0.3010(2) 0.3671(2) 0.12782(12) 0.0373(15) Uani 1 1 d . . . . .
C22_51 C 0.2846(2) 0.4181(2) 0.11228(12) 0.0389(15) Uani 1 1 d . . . . .
H22_51 H 0.2576 0.4340 0.1015 0.047 Uiso 1 1 calc R U . . .
C23_51 C 0.3104(2) 0.4432(2) 0.11399(13) 0.0460(17) Uani 1 1 d . . . . .
H23_51 H 0.3005 0.4771 0.1042 0.055 Uiso 1 1 calc R U . . .
C24_51 C 0.3509(3) 0.4194(2) 0.12978(14) 0.0494(17) Uani 1 1 d D . . . .
C25_51 C 0.3655(2) 0.3715(2) 0.14378(13) 0.0445(16) Uani 1 1 d . . . . .
H25_51 H 0.3922 0.3559 0.1547 0.053 Uiso 1 1 calc R U . . .
C26_51 C 0.3414(2) 0.3447(2) 0.14226(12) 0.0401(15) Uani 1 1 d . . . . .
H26_51 H 0.3532 0.3103 0.1514 0.048 Uiso 1 1 calc R U . . .
C27_51 C 0.3785(3) 0.4484(2) 0.12894(15) 0.0545(19) Uani 1 1 d . . . . .
O1_51 O -0.03812(16) 0.42525(15) 0.12400(9) 0.0602(13) Uani 1 1 d . . . . .
O2_51 O -0.03073(15) 0.49461(15) 0.10562(10) 0.0599(13) Uani 1 1 d . . . . .
H2A_51 H -0.0614 0.5056 0.1064 0.090 Uiso 1 1 calc DR U . . .
O3_51 O 0.42121(19) 0.02716(15) 0.13152(10) 0.0623(13) Uani 1 1 d . . . . .
H3A_51 H 0.4341 -0.0028 0.1301 0.093 Uiso 1 1 calc DR U . . .
O4_51 O 0.37126(16) 0.03808(14) 0.10265(9) 0.0549(12) Uani 1 1 d . . . . .
O5_51 O 0.36278(16) 0.49306(15) 0.11634(9) 0.0571(12) Uani 1 1 d . . . . .
O6_51 O 0.41369(17) 0.42616(15) 0.14415(10) 0.0590(13) Uani 1 1 d . . . . .
H6A_51 H 0.4247 0.4460 0.1439 0.089 Uiso 1 1 calc DR U . . .
C1_52 C 0.2570(2) 0.3390(2) 0.04981(11) 0.0359(15) Uani 1 1 d . . . . .
C2_52 C 0.2832(2) 0.2897(2) 0.04870(12) 0.0369(15) Uani 1 1 d . . . . .
H2_52 H 0.2665 0.2724 0.0467 0.044 Uiso 1 1 calc R U . . .
C3_52 C 0.3330(3) 0.2643(2) 0.05048(12) 0.0443(17) Uani 1 1 d . . . . .
C4_52 C 0.3571(2) 0.2913(2) 0.05232(11) 0.0387(15) Uani 1 1 d . . . . .
H4_52 H 0.3918 0.2748 0.0534 0.046 Uiso 1 1 calc R U . . .
C5_52 C 0.3309(2) 0.3412(2) 0.05259(12) 0.0420(16) Uani 1 1 d . . . . .
C6_52 C 0.2806(2) 0.3655(2) 0.05141(12) 0.0391(16) Uani 1 1 d . . . . .
H6_52 H 0.2624 0.4002 0.0517 0.047 Uiso 1 1 calc R U . . .
C7_52 C 0.2014(2) 0.3662(2) 0.04798(12) 0.0393(15) Uani 1 1 d . . . . .
C8_52 C 0.1724(2) 0.3412(2) 0.05720(13) 0.0460(16) Uani 1 1 d . . . . .
H8_52 H 0.1874 0.3060 0.0645 0.055 Uiso 1 1 calc R U . . .
C9_52 C 0.1219(2) 0.3673(2) 0.05577(12) 0.0451(16) Uani 1 1 d . . . . .
H9_52 H 0.1021 0.3502 0.0624 0.054 Uiso 1 1 calc R U . . .
C10_52 C 0.1002(2) 0.4194(2) 0.04429(12) 0.0445(16) Uani 1 1 d D . . . .
C11_52 C 0.1274(2) 0.4434(2) 0.03527(12) 0.0451(16) Uani 1 1 d . . . . .
H11_52 H 0.1124 0.4785 0.0275 0.054 Uiso 1 1 calc R U . . .
C12_52 C 0.1774(2) 0.4177(2) 0.03716(12) 0.0436(16) Uani 1 1 d . . . . .
H12_52 H 0.1962 0.4358 0.0309 0.052 Uiso 1 1 calc R U . . .
C13_52 C 0.0467(3) 0.4467(2) 0.04393(13) 0.0503(18) Uani 1 1 d . . . . .
C14_52 C 0.3638(2) 0.2091(2) 0.04939(13) 0.0420(16) Uani 1 1 d . . . . .
C15_52 C 0.4059(2) 0.1783(2) 0.06229(13) 0.0463(17) Uani 1 1 d . . . . .
H15_52 H 0.4178 0.1915 0.0718 0.056 Uiso 1 1 calc R U . . .
C16_52 C 0.4320(2) 0.1268(2) 0.06144(13) 0.0473(17) Uani 1 1 d . . . . .
H16_52 H 0.4608 0.1055 0.0708 0.057 Uiso 1 1 calc R U . . .
C17_52 C 0.4162(3) 0.1079(2) 0.04759(14) 0.0541(19) Uani 1 1 d D . . . .
C18_52 C 0.3711(3) 0.1397(2) 0.03509(15) 0.063(2) Uani 1 1 d . . . . .
H18_52 H 0.3585 0.1260 0.0263 0.076 Uiso 1 1 calc R U . . .
C19_52 C 0.3466(3) 0.1878(2) 0.03564(12) 0.0504(17) Uani 1 1 d . . . . .
H19_52 H 0.3171 0.2085 0.0268 0.060 Uiso 1 1 calc R U . . .
C20_52 C 0.4442(3) 0.0524(2) 0.04672(15) 0.0528(18) Uani 1 1 d . . . . .
C21_52 C 0.3553(2) 0.3713(2) 0.05494(13) 0.0430(16) Uani 1 1 d . . . . .
C22_52 C 0.3385(2) 0.4214(2) 0.04118(13) 0.0477(17) Uani 1 1 d . . . . .
H22_52 H 0.3113 0.4369 0.0306 0.057 Uiso 1 1 calc R U . . .
C23_52 C 0.3614(2) 0.4491(2) 0.04285(13) 0.0478(17) Uani 1 1 d . . . . .
H23_52 H 0.3497 0.4832 0.0331 0.057 Uiso 1 1 calc R U . . .
C24_52 C 0.4002(2) 0.4284(2) 0.05813(12) 0.0406(15) Uani 1 1 d D . . . .
C25_52 C 0.4164(2) 0.3791(2) 0.07277(14) 0.0524(18) Uani 1 1 d . . . . .
H25_52 H 0.4426 0.3644 0.0840 0.063 Uiso 1 1 calc R U . . .
C26_52 C 0.3932(2) 0.3508(2) 0.07073(14) 0.0488(17) Uani 1 1 d . . . . .
H26_52 H 0.4044 0.3169 0.0806 0.059 Uiso 1 1 calc R U . . .
C27_52 C 0.4234(2) 0.4584(2) 0.05946(15) 0.0486(17) Uani 1 1 d . . . . .
O1_52 O 0.01888(15) 0.42376(15) 0.05496(8) 0.0529(11) Uani 1 1 d . . . . .
O2_52 O 0.02708(16) 0.49382(16) 0.03343(9) 0.0604(13) Uani 1 1 d . . . . .
H2A_52 H -0.0026 0.5039 0.0314 0.091 Uiso 1 1 calc DR U . . .
O3_52 O 0.47982(19) 0.02659(16) 0.06050(10) 0.0612(13) Uani 1 1 d . . . . .
H3A_52 H 0.4940 -0.0029 0.0581 0.092 Uiso 1 1 calc DR U . . .
O4_52 O 0.42793(19) 0.03775(15) 0.03247(10) 0.0710(15) Uani 1 1 d . . . . .
O5_52 O 0.41204(19) 0.50121(17) 0.04494(11) 0.0797(16) Uani 1 1 d . . . . .
O6_52 O 0.45675(18) 0.43715(15) 0.07652(10) 0.0624(13) Uani 1 1 d . . . . .
H6A_52 H 0.4713 0.4548 0.0743 0.094 Uiso 1 1 calc DR U . . .
C1_53 C 0.9031(2) -0.0040(2) 0.12171(12) 0.0348(15) Uani 1 1 d . . . . .
C2_53 C 0.9190(2) -0.0410(2) 0.10751(12) 0.0415(16) Uani 1 1 d . . . . .
H2_53 H 0.9146 -0.0703 0.1160 0.050 Uiso 1 1 calc R U . . .
C3_53 C 0.9412(2) -0.0366(2) 0.08108(13) 0.0448(16) Uani 1 1 d . . . . .
C4_53 C 0.9483(2) 0.0066(2) 0.06870(14) 0.0528(18) Uani 1 1 d . . . . .
H4_53 H 0.9626 0.0108 0.0506 0.063 Uiso 1 1 calc R U . . .
C5_53 C 0.9342(2) 0.0431(2) 0.08333(14) 0.0466(17) Uani 1 1 d . . . . .
C6_53 C 0.9103(2) 0.0380(2) 0.10882(13) 0.0418(16) Uani 1 1 d . . . . .
H6_53 H 0.8982 0.0645 0.1179 0.050 Uiso 1 1 calc R U . . .
C7_53 C 0.8778(2) -0.0088(2) 0.14910(13) 0.0387(15) Uani 1 1 d . . . . .
C8_53 C 0.8543(2) -0.0395(2) 0.15813(13) 0.0434(16) Uani 1 1 d . . . . .
H8_53 H 0.8563 -0.0588 0.1464 0.052 Uiso 1 1 calc R U . . .
C9_53 C 0.8287(3) -0.0435(2) 0.18280(14) 0.0508(18) Uani 1 1 d . . . . .
H9_53 H 0.8138 -0.0654 0.1882 0.061 Uiso 1 1 calc R U . . .
C10_53 C 0.8250(2) -0.0141(2) 0.20012(13) 0.0448(16) Uani 1 1 d D . . . .
C11_53 C 0.8477(2) 0.0167(2) 0.19214(13) 0.0469(17) Uani 1 1 d . . . . .
H11_53 H 0.8446 0.0370 0.2036 0.056 Uiso 1 1 calc R U . . .
C12_53 C 0.8751(2) 0.0179(2) 0.16721(13) 0.0476(17) Uani 1 1 d . . . . .
H12_53 H 0.8926 0.0375 0.1624 0.057 Uiso 1 1 calc R U . . .
C13_53 C 0.7958(2) -0.0162(2) 0.22734(13) 0.0439(16) Uani 1 1 d . . . . .
C14_53 C 0.9564(2) -0.0769(2) 0.06590(14) 0.0495(17) Uani 1 1 d . . . . .
C15_53 C 0.9513(2) -0.0640(2) 0.03834(14) 0.0543(18) Uani 1 1 d . . . . .
H15_53 H 0.9412 -0.0301 0.0286 0.065 Uiso 1 1 calc R U . . .
C16_53 C 0.9613(2) -0.1020(2) 0.02477(14) 0.0513(18) Uani 1 1 d . . . . .
H16_53 H 0.9572 -0.0936 0.0060 0.062 Uiso 1 1 calc R U . . .
C17_53 C 0.9765(2) -0.1495(2) 0.03887(15) 0.0504(18) Uani 1 1 d D . . . .
C18_53 C 0.9804(3) -0.1634(3) 0.06799(16) 0.070(2) Uani 1 1 d . . . . .
H18_53 H 0.9893 -0.1971 0.0779 0.084 Uiso 1 1 calc R U . . .
C19_53 C 0.9708(3) -0.1264(2) 0.08076(14) 0.059(2) Uani 1 1 d . . . . .
H19_53 H 0.9740 -0.1345 0.0996 0.071 Uiso 1 1 calc R U . . .
C20_53 C 0.9884(3) -0.1907(2) 0.02576(16) 0.058(2) Uani 1 1 d . . . . .
C21_53 C 0.9435(2) 0.0881(2) 0.07017(13) 0.0429(15) Uani 1 1 d . . . . .
C22_53 C 0.9554(2) 0.1099(2) 0.08650(13) 0.0543(18) Uani 1 1 d . . . . .
H22_53 H 0.9568 0.0962 0.1054 0.065 Uiso 1 1 calc R U . . .
C23_53 C 0.9648(2) 0.1503(2) 0.07518(15) 0.0610(19) Uani 1 1 d . . . . .
H23_53 H 0.9731 0.1642 0.0862 0.073 Uiso 1 1 calc R U . . .
C24_53 C 0.9621(2) 0.1712(2) 0.04742(14) 0.0494(17) Uani 1 1 d D . . . .
C25_53 C 0.9494(2) 0.1506(2) 0.03226(13) 0.0504(17) Uani 1 1 d . . . . .
H25_53 H 0.9461 0.1658 0.0136 0.060 Uiso 1 1 calc R U . . .
C26_53 C 0.9413(2) 0.1087(2) 0.04296(13) 0.0483(17) Uani 1 1 d . . . . .
H26_53 H 0.9342 0.0945 0.0316 0.058 Uiso 1 1 calc R U . . .
C27_53 C 0.9721(3) 0.2139(3) 0.03554(17) 0.068(2) Uani 1 1 d . . . . .
O1_53 O 0.77460(16) -0.04414(15) 0.23429(8) 0.0524(12) Uani 1 1 d . . . . .
O2_53 O 0.79470(17) 0.01143(18) 0.24145(9) 0.0587(13) Uani 1 1 d . . . . .
H2A_53 H 0.7759 0.0100 0.2556 0.088 Uiso 1 1 calc DR U . . .
O3_53 O 0.98288(18) -0.17901(15) 0.00113(10) 0.0620(13) Uani 1 1 d . . . . .
H3A_53 H 0.9876 -0.2044 -0.0038 0.093 Uiso 1 1 calc DR U . . .
O4_53 O 1.00279(19) -0.23628(16) 0.03990(10) 0.0725(15) Uani 1 1 d . . . . .
O5_53 O 0.9914(2) 0.22715(19) 0.04917(10) 0.0812(16) Uani 1 1 d . . . . .
O6_53 O 0.96358(19) 0.23494(17) 0.01120(10) 0.0660(14) Uani 1 1 d . . . . .
H6A_53 H 0.9733 0.2572 0.0059 0.099 Uiso 1 1 calc DR U . . .
C1_54 C 0.7644(2) 0.0694(2) 0.11923(12) 0.0359(14) Uani 1 1 d . . . . .
C2_54 C 0.7802(2) 0.0311(2) 0.10539(13) 0.0443(16) Uani 1 1 d . . . . .
H2_54 H 0.7754 0.0021 0.1141 0.053 Uiso 1 1 calc R U . . .
C3_54 C 0.8029(2) 0.0345(2) 0.07896(13) 0.0387(15) Uani 1 1 d . . . . .
C4_54 C 0.8118(2) 0.0759(2) 0.06612(14) 0.0478(17) Uani 1 1 d . . . . .
H4_54 H 0.8270 0.0786 0.0482 0.057 Uiso 1 1 calc R U . . .
C5_54 C 0.7976(2) 0.1149(2) 0.08045(12) 0.0382(15) Uani 1 1 d . . . . .
C6_54 C 0.7741(2) 0.1097(2) 0.10639(12) 0.0380(15) Uani 1 1 d . . . . .
H6_54 H 0.7641 0.1354 0.1158 0.046 Uiso 1 1 calc R U . . .
C7_54 C 0.7381(2) 0.0670(2) 0.14638(13) 0.0417(16) Uani 1 1 d . . . . .
C8_54 C 0.7130(2) 0.0370(2) 0.15540(12) 0.0432(16) Uani 1 1 d . . . . .
H8_54 H 0.7128 0.0188 0.1437 0.052 Uiso 1 1 calc R U . . .
C9_54 C 0.6890(2) 0.0337(2) 0.18092(12) 0.0386(15) Uani 1 1 d . . . . .
H9_54 H 0.6722 0.0135 0.1867 0.046 Uiso 1 1 calc R U . . .
C10_54 C 0.6892(2) 0.0599(2) 0.19826(13) 0.0445(16) Uani 1 1 d D . . . .
C11_54 C 0.7149(2) 0.0890(2) 0.18984(13) 0.0409(15) Uani 1 1 d . . . . .
H11_54 H 0.7166 0.1062 0.2016 0.049 Uiso 1 1 calc R U . . .
C12_54 C 0.7371(2) 0.09170(19) 0.16450(12) 0.0373(15) Uani 1 1 d . . . . .
H12_54 H 0.7534 0.1124 0.1588 0.045 Uiso 1 1 calc R U . . .
C13_54 C 0.6617(3) 0.0563(3) 0.22659(14) 0.0515(19) Uani 1 1 d . . . . .
C14_54 C 0.8161(2) -0.0046(2) 0.06444(13) 0.0404(15) Uani 1 1 d . . . . .
C15_54 C 0.8123(2) 0.0063(2) 0.03696(13) 0.0410(15) Uani 1 1 d . . . . .
H15_54 H 0.8008 0.0402 0.0270 0.049 Uiso 1 1 calc R U . . .
C16_54 C 0.8248(2) -0.0308(2) 0.02383(13) 0.0456(16) Uani 1 1 d . . . . .
H16_54 H 0.8216 -0.0219 0.0050 0.055 Uiso 1 1 calc R U . . .
C17_54 C 0.8417(2) -0.0804(2) 0.03723(13) 0.0432(16) Uani 1 1 d D . . . .
C18_54 C 0.8452(2) -0.0927(2) 0.06508(13) 0.0449(16) Uani 1 1 d . . . . .
H18_54 H 0.8563 -0.1267 0.0748 0.054 Uiso 1 1 calc R U . . .
C19_54 C 0.8326(2) -0.05529(19) 0.07890(13) 0.0392(15) Uani 1 1 d . . . . .
H19_54 H 0.8352 -0.0639 0.0978 0.047 Uiso 1 1 calc R U . . .
C20_54 C 0.8554(2) -0.1204(2) 0.02328(15) 0.0486(17) Uani 1 1 d . . . . .
C21_54 C 0.8091(2) 0.1576(2) 0.06705(12) 0.0394(15) Uani 1 1 d . . . . .
C22_54 C 0.8226(2) 0.1771(2) 0.08239(13) 0.0455(16) Uani 1 1 d . . . . .
H22_54 H 0.8240 0.1637 0.1013 0.055 Uiso 1 1 calc R U . . .
C23_54 C 0.8342(2) 0.2167(2) 0.07009(12) 0.0404(15) Uani 1 1 d . . . . .
H23_54 H 0.8439 0.2302 0.0806 0.048 Uiso 1 1 calc R U . . .
C24_54 C 0.8316(2) 0.2364(2) 0.04257(12) 0.0410(15) Uani 1 1 d D . . . .
C25_54 C 0.8161(2) 0.2180(2) 0.02742(13) 0.0433(16) Uani 1 1 d . . . . .
H25_54 H 0.8130 0.2325 0.0086 0.052 Uiso 1 1 calc R U . . .
C26_54 C 0.8052(2) 0.17905(19) 0.03947(12) 0.0387(15) Uani 1 1 d . . . . .
H26_54 H 0.7947 0.1662 0.0289 0.046 Uiso 1 1 calc R U . . .
C27_54 C 0.8441(3) 0.2789(3) 0.02981(15) 0.062(2) Uani 1 1 d . . . . .
O1_54 O 0.63779(17) 0.03190(16) 0.23219(8) 0.0529(12) Uani 1 1 d . . . . .
O2_54 O 0.66316(17) 0.08111(18) 0.24129(9) 0.0561(12) Uani 1 1 d . . . . .
H2A_54 H 0.6474 0.0767 0.2563 0.084 Uiso 1 1 calc DR U . . .
O3_54 O 0.84779(17) -0.10686(14) -0.00159(9) 0.0529(12) Uani 1 1 d . . . . .
H3A_54 H 0.8516 -0.1316 -0.0068 0.079 Uiso 1 1 calc DR U . . .
O4_54 O 0.87301(18) -0.16566(15) 0.03649(10) 0.0670(14) Uani 1 1 d . . . . .
O5_54 O 0.85953(16) 0.29490(15) 0.04347(8) 0.0544(12) Uani 1 1 d . . . . .
O6_54 O 0.83861(18) 0.29718(17) 0.00410(9) 0.0585(13) Uani 1 1 d . . . . .
H6A_54 H 0.8525 0.3159 -0.0021 0.088 Uiso 1 1 calc DR U . . .
C1_55 C 0.6312(2) 0.1479(2) 0.11444(13) 0.0383(15) Uani 1 1 d . . . . .
C2_55 C 0.6440(2) 0.1107(2) 0.10018(12) 0.0368(15) Uani 1 1 d . . . . .
H2_55 H 0.6377 0.0827 0.1090 0.044 Uiso 1 1 calc R U . . .
C3_55 C 0.6647(2) 0.1130(2) 0.07470(13) 0.0386(15) Uani 1 1 d . . . . .
C4_55 C 0.6755(2) 0.15304(19) 0.06162(12) 0.0364(15) Uani 1 1 d . . . . .
H4_55 H 0.6919 0.1536 0.0439 0.044 Uiso 1 1 calc R U . . .
C5_55 C 0.6629(2) 0.1920(2) 0.07386(12) 0.0406(16) Uani 1 1 d . . . . .
C6_55 C 0.6416(2) 0.1881(2) 0.10080(12) 0.0392(15) Uani 1 1 d . . . . .
H6_55 H 0.6342 0.2135 0.1099 0.047 Uiso 1 1 calc R U . . .
C7_55 C 0.6066(2) 0.1455(2) 0.14250(12) 0.0374(15) Uani 1 1 d . . . . .
C8_55 C 0.5798(2) 0.1176(2) 0.15176(13) 0.0439(16) Uani 1 1 d . . . . .
H8_55 H 0.5772 0.1009 0.1400 0.053 Uiso 1 1 calc R U . . .
C9_55 C 0.5573(3) 0.1141(2) 0.17753(13) 0.0519(18) Uani 1 1 d . . . . .
H9_55 H 0.5402 0.0942 0.1836 0.062 Uiso 1 1 calc R U . . .
C10_55 C 0.5592(3) 0.1406(2) 0.19569(14) 0.0496(17) Uani 1 1 d D . . . .
C11_55 C 0.5840(2) 0.1692(2) 0.18571(13) 0.0477(17) Uani 1 1 d . . . . .
H11_55 H 0.5845 0.1885 0.1967 0.057 Uiso 1 1 calc R U . . .
C12_55 C 0.6082(2) 0.1704(2) 0.16036(12) 0.0434(16) Uani 1 1 d . . . . .
H12_55 H 0.6266 0.1889 0.1547 0.052 Uiso 1 1 calc R U . . .
C13_55 C 0.5318(2) 0.1421(2) 0.22112(14) 0.0443(17) Uani 1 1 d . . . . .
C14_55 C 0.6790(2) 0.0723(2) 0.05984(12) 0.0370(15) Uani 1 1 d . . . . .
C15_55 C 0.6770(2) 0.08363(19) 0.03271(12) 0.0356(14) Uani 1 1 d . . . . .
H15_55 H 0.6678 0.1173 0.0228 0.043 Uiso 1 1 calc R U . . .
C16_55 C 0.6882(2) 0.0467(2) 0.01913(14) 0.0465(17) Uani 1 1 d . . . . .
H16_55 H 0.6854 0.0549 0.0002 0.056 Uiso 1 1 calc R U . . .
C17_55 C 0.7037(2) -0.0028(2) 0.03423(14) 0.0429(16) Uani 1 1 d D . . . .
C18_55 C 0.7069(2) -0.0153(2) 0.06174(13) 0.0421(16) Uani 1 1 d . . . . .
H18_55 H 0.7182 -0.0494 0.0714 0.050 Uiso 1 1 calc R U . . .
C19_55 C 0.6935(2) 0.0223(2) 0.07535(13) 0.0423(16) Uani 1 1 d . . . . .
H19_55 H 0.6941 0.0147 0.0944 0.051 Uiso 1 1 calc R U . . .
C20_55 C 0.7184(3) -0.0436(2) 0.01989(17) 0.059(2) Uani 1 1 d . . . . .
C21_55 C 0.6762(2) 0.2332(2) 0.06060(13) 0.0408(15) Uani 1 1 d . . . . .
C22_55 C 0.6932(2) 0.2519(2) 0.07516(13) 0.0438(16) Uani 1 1 d . . . . .
H22_55 H 0.6963 0.2383 0.0940 0.053 Uiso 1 1 calc R U . . .
C23_55 C 0.7055(2) 0.2904(2) 0.06205(12) 0.0410(15) Uani 1 1 d . . . . .
H23_55 H 0.7183 0.3023 0.0719 0.049 Uiso 1 1 calc R U . . .
C24_55 C 0.6994(2) 0.3124(2) 0.03440(13) 0.0421(16) Uani 1 1 d D . . . .
C25_55 C 0.6812(2) 0.2937(2) 0.02049(13) 0.0463(17) Uani 1 1 d . . . . .
H25_55 H 0.6776 0.3071 0.0017 0.056 Uiso 1 1 calc R U . . .
C26_55 C 0.6684(2) 0.2553(2) 0.03420(13) 0.0411(15) Uani 1 1 d . . . . .
H26_55 H 0.6538 0.2443 0.0248 0.049 Uiso 1 1 calc R U . . .
C27_55 C 0.7143(2) 0.3503(2) 0.02197(14) 0.0472(17) Uani 1 1 d . . . . .
O1_55 O 0.50729(18) 0.11473(18) 0.22834(9) 0.0611(13) Uani 1 1 d . . . . .
H1A_55 H 0.4943 0.1158 0.2442 0.092 Uiso 1 1 calc DR U . . .
O2_55 O 0.53145(17) 0.16581(17) 0.23719(9) 0.0572(12) Uani 1 1 d . . . . .
O3_55 O 0.71239(18) -0.03081(15) -0.00564(10) 0.0598(13) Uani 1 1 d . . . . .
H3A_55 H 0.7212 -0.0567 -0.0113 0.090 Uiso 1 1 calc DR U . . .
O4_55 O 0.73499(17) -0.08774(15) 0.03282(9) 0.0583(13) Uani 1 1 d . . . . .
O5_55 O 0.73312(18) 0.36621(17) 0.03421(9) 0.0671(14) Uani 1 1 d . . . . .
O6_55 O 0.70659(18) 0.37084(16) -0.00470(9) 0.0600(13) Uani 1 1 d . . . . .
H6A_55 H 0.7169 0.3926 -0.0105 0.090 Uiso 1 1 calc DR U . . .
C1_56 C 0.4938(2) 0.2232(2) 0.11445(12) 0.0380(15) Uani 1 1 d . . . . .
C2_56 C 0.5059(2) 0.18598(19) 0.10187(12) 0.0359(15) Uani 1 1 d . . . . .
H2_56 H 0.4984 0.1589 0.1112 0.043 Uiso 1 1 calc R U . . .
C3_56 C 0.5294(2) 0.1863(2) 0.07523(13) 0.0420(16) Uani 1 1 d . . . . .
C4_56 C 0.5401(2) 0.2262(2) 0.06225(13) 0.0403(16) Uani 1 1 d . . . . .
H4_56 H 0.5562 0.2270 0.0445 0.048 Uiso 1 1 calc R U . . .
C5_56 C 0.5280(2) 0.2650(2) 0.07450(14) 0.0410(16) Uani 1 1 d . . . . .
C6_56 C 0.5071(2) 0.26175(19) 0.10072(12) 0.0322(14) Uani 1 1 d . . . . .
H6_56 H 0.5014 0.2865 0.1099 0.039 Uiso 1 1 calc R U . . .
C7_56 C 0.4678(2) 0.22333(19) 0.14218(11) 0.0340(14) Uani 1 1 d . . . . .
C8_56 C 0.4395(2) 0.1975(2) 0.15109(12) 0.0377(15) Uani 1 1 d . . . . .
H8_56 H 0.4362 0.1809 0.1395 0.045 Uiso 1 1 calc R U . . .
C9_56 C 0.4157(2) 0.1962(2) 0.17764(12) 0.0407(16) Uani 1 1 d . . . . .
H9_56 H 0.3967 0.1783 0.1843 0.049 Uiso 1 1 calc R U . . .
C10_56 C 0.4206(2) 0.2224(2) 0.19417(12) 0.0373(15) Uani 1 1 d D . . . .
C11_56 C 0.4482(2) 0.2476(2) 0.18461(12) 0.0378(15) Uani 1 1 d . . . . .
H11_56 H 0.4514 0.2647 0.1959 0.045 Uiso 1 1 calc R U . . .
C12_56 C 0.4710(2) 0.24867(19) 0.15940(12) 0.0346(14) Uani 1 1 d . . . . .
H12_56 H 0.4897 0.2670 0.1532 0.041 Uiso 1 1 calc R U . . .
C13_56 C 0.3926(2) 0.2225(2) 0.22129(12) 0.0399(16) Uani 1 1 d . . . . .
C14_56 C 0.5417(2) 0.14580(19) 0.06167(12) 0.0347(14) Uani 1 1 d . . . . .
C15_56 C 0.5417(2) 0.1547(2) 0.03412(13) 0.0513(18) Uani 1 1 d . . . . .
H15_56 H 0.5333 0.1880 0.0237 0.062 Uiso 1 1 calc R U . . .
C16_56 C 0.5536(3) 0.1173(2) 0.02084(14) 0.0555(19) Uani 1 1 d . . . . .
H16_56 H 0.5517 0.1249 0.0019 0.067 Uiso 1 1 calc R U . . .
C17_56 C 0.5684(2) 0.0680(2) 0.03635(14) 0.0480(17) Uani 1 1 d D . . . .
C18_56 C 0.5687(2) 0.0583(2) 0.06326(12) 0.0364(15) Uani 1 1 d . . . . .
H18_56 H 0.5784 0.0248 0.0735 0.044 Uiso 1 1 calc R U . . .
C19_56 C 0.5553(2) 0.09634(19) 0.07643(13) 0.0383(15) Uani 1 1 d . . . . .
H19_56 H 0.5553 0.0887 0.0955 0.046 Uiso 1 1 calc R U . . .
C20_56 C 0.5816(3) 0.0274(2) 0.02162(16) 0.0521(19) Uani 1 1 d . . . . .
C21_56 C 0.5418(2) 0.3063(2) 0.06031(12) 0.0398(15) Uani 1 1 d . . . . .
C22_56 C 0.5614(2) 0.3245(2) 0.07390(13) 0.0430(16) Uani 1 1 d . . . . .
H22_56 H 0.5669 0.3101 0.0925 0.052 Uiso 1 1 calc R U . . .
C23_56 C 0.5726(2) 0.3626(2) 0.06060(13) 0.0408(16) Uani 1 1 d . . . . .
H23_56 H 0.5861 0.3743 0.0701 0.049 Uiso 1 1 calc R U . . .
C24_56 C 0.5654(3) 0.3842(2) 0.03500(14) 0.0514(18) Uani 1 1 d D . . . .
C25_56 C 0.5442(2) 0.3683(2) 0.02041(12) 0.0449(17) Uani 1 1 d . . . . .
H25_56 H 0.5393 0.3833 0.0018 0.054 Uiso 1 1 calc R U . . .
C26_56 C 0.5311(2) 0.3315(2) 0.03348(13) 0.0426(16) Uani 1 1 d . . . . .
H26_56 H 0.5144 0.3225 0.0244 0.051 Uiso 1 1 calc R U . . .
C27_56 C 0.5810(3) 0.4236(2) 0.02024(13) 0.0484(18) Uani 1 1 d . . . . .
O1_56 O 0.36558(16) 0.20057(16) 0.22772(8) 0.0492(11) Uani 1 1 d . . . . .
O2_56 O 0.39888(16) 0.24386(15) 0.23632(8) 0.0463(11) Uani 1 1 d . . . . .
H2A_56 H 0.3851 0.2383 0.2518 0.070 Uiso 1 1 calc DR U . . .
O3_56 O 0.5762(2) 0.03932(17) -0.00300(11) 0.0807(17) Uani 1 1 d . . . . .
H3A_56 H 0.5915 0.0135 -0.0094 0.121 Uiso 1 1 calc DR U . . .
O4_56 O 0.60139(16) -0.01748(15) 0.03511(9) 0.0537(12) Uani 1 1 d . . . . .
O5_56 O 0.60499(18) 0.43366(16) 0.03189(9) 0.0598(13) Uani 1 1 d . . . . .
O6_56 O 0.57015(18) 0.44658(17) -0.00451(9) 0.0646(14) Uani 1 1 d . . . . .
H6A_56 H 0.5822 0.4669 -0.0105 0.097 Uiso 1 1 calc DR U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1_1 C2_1 1.368(7) . ?
C1_1 C6_1 1.410(7) . ?
C1_1 C7_1 1.478(8) . ?
C2_1 C3_1 1.402(8) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.370(7) . ?
C3_1 C14_1 1.502(7) . ?
C4_1 C5_1 1.393(7) . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.388(8) . ?
C5_1 C21_1 1.502(8) . ?
C6_1 H6_1 0.9500 . ?
C7_1 C12_1 1.414(8) . ?
C7_1 C8_1 1.417(7) . ?
C8_1 C9_1 1.336(8) . ?
C8_1 H8_1 0.9500 . ?
C9_1 C10_1 1.419(8) . ?
C9_1 H9_1 0.9500 . ?
C10_1 C11_1 1.364(7) . ?
C10_1 C13_1 1.494(8) . ?
C11_1 C12_1 1.366(8) . ?
C11_1 H11_1 0.9500 . ?
C12_1 H12_1 0.9500 . ?
C13_1 O1_1 1.238(7) . ?
C13_1 O2_1 1.288(6) . ?
C14_1 C15_1 1.374(8) . ?
C14_1 C19_1 1.385(8) . ?
C15_1 C16_1 1.403(8) . ?
C15_1 H15_1 0.9500 . ?
C16_1 C17_1 1.354(9) . ?
C16_1 H16_1 0.9500 . ?
C17_1 C18_1 1.403(9) . ?
C17_1 C20_1 1.474(8) . ?
C18_1 C19_1 1.411(8) . ?
C18_1 H18_1 0.9500 . ?
C19_1 H19_1 0.9500 . ?
C20_1 O4_1 1.265(8) . ?
C20_1 O3_1 1.337(8) . ?
C21_1 C22_1 1.382(7) . ?
C21_1 C26_1 1.432(8) . ?
C22_1 C23_1 1.400(7) . ?
C22_1 H22_1 0.9500 . ?
C23_1 C24_1 1.415(8) . ?
C23_1 H23_1 0.9500 . ?
C24_1 C25_1 1.340(8) . ?
C24_1 C27_1 1.414(8) . ?
C25_1 C26_1 1.398(8) . ?
C25_1 H25_1 0.9500 . ?
C26_1 H26_1 0.9500 . ?
C27_1 O5_1 1.292(7) . ?
C27_1 O6_1 1.297(7) . ?
O2_1 H2A_1 0.8400 . ?
O3_1 H3A_1 0.8400 . ?
O6_1 H6A_1 0.8400 . ?
C1_2 C2_2 1.385(7) . ?
C1_2 C6_2 1.431(7) . ?
C1_2 C7_2 1.467(8) . ?
C2_2 C3_2 1.402(8) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.420(8) . ?
C3_2 C14_2 1.492(8) . ?
C4_2 C5_2 1.384(7) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.377(8) . ?
C5_2 C21_2 1.488(7) . ?
C6_2 H6_2 0.9500 . ?
C7_2 C12_2 1.347(8) . ?
C7_2 C8_2 1.446(8) . ?
C8_2 C9_2 1.346(8) . ?
C8_2 H8_2 0.9500 . ?
C9_2 C10_2 1.423(8) . ?
C9_2 H9_2 0.9500 . ?
C10_2 C11_2 1.364(8) . ?
C10_2 C13_2 1.503(9) . ?
C11_2 C12_2 1.417(8) . ?
C11_2 H11_2 0.9500 . ?
C12_2 H12_2 0.9500 . ?
C13_2 O2_2 1.254(7) . ?
C13_2 O1_2 1.271(7) . ?
C14_2 C15_2 1.401(8) . ?
C14_2 C19_2 1.402(8) . ?
C15_2 C16_2 1.374(7) . ?
C15_2 H15_2 0.9500 . ?
C16_2 C17_2 1.402(8) . ?
C16_2 H16_2 0.9500 . ?
C17_2 C18_2 1.340(8) . ?
C17_2 C20_2 1.477(9) . ?
C18_2 C19_2 1.401(8) . ?
C18_2 H18_2 0.9500 . ?
C19_2 H19_2 0.9500 . ?
C20_2 O4_2 1.248(7) . ?
C20_2 O3_2 1.300(7) . ?
C21_2 C22_2 1.342(8) . ?
C21_2 C26_2 1.390(8) . ?
C22_2 C23_2 1.382(7) . ?
C22_2 H22_2 0.9500 . ?
C23_2 C24_2 1.386(8) . ?
C23_2 H23_2 0.9500 . ?
C24_2 C25_2 1.401(8) . ?
C24_2 C27_2 1.511(8) . ?
C25_2 C26_2 1.363(8) . ?
C25_2 H25_2 0.9500 . ?
C26_2 H26_2 0.9500 . ?
C27_2 O5_2 1.252(7) . ?
C27_2 O6_2 1.310(7) . ?
O1_2 H1A_2 0.8400 . ?
O3_2 H3A_2 0.8400 . ?
O6_2 H6A_2 0.8400 . ?
C1_3 C2_3 1.373(7) . ?
C1_3 C6_3 1.415(7) . ?
C1_3 C7_3 1.477(9) . ?
C2_3 C3_3 1.367(8) . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.402(7) . ?
C3_3 C14_3 1.507(7) . ?
C4_3 C5_3 1.392(8) . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.373(8) . ?
C5_3 C21_3 1.508(7) . ?
C6_3 H6_3 0.9500 . ?
C7_3 C12_3 1.393(8) . ?
C7_3 C8_3 1.436(8) . ?
C8_3 C9_3 1.390(8) . ?
C8_3 H8_3 0.9500 . ?
C9_3 C10_3 1.372(8) . ?
C9_3 H9_3 0.9500 . ?
C10_3 C11_3 1.416(8) . ?
C10_3 C13_3 1.423(9) . ?
C11_3 C12_3 1.334(8) . ?
C11_3 H11_3 0.9500 . ?
C12_3 H12_3 0.9500 . ?
C13_3 O1_3 1.286(7) . ?
C13_3 O2_3 1.302(7) . ?
C14_3 C15_3 1.377(8) . ?
C14_3 C19_3 1.403(8) . ?
C15_3 C16_3 1.369(7) . ?
C15_3 H15_3 0.9500 . ?
C16_3 C17_3 1.366(8) . ?
C16_3 H16_3 0.9500 . ?
C17_3 C18_3 1.408(9) . ?
C17_3 C20_3 1.493(8) . ?
C18_3 C19_3 1.375(8) . ?
C18_3 H18_3 0.9500 . ?
C19_3 H19_3 0.9500 . ?
C20_3 O3_3 1.262(7) . ?
C20_3 O4_3 1.281(7) . ?
C21_3 C26_3 1.367(8) . ?
C21_3 C22_3 1.391(7) . ?
C22_3 C23_3 1.433(7) . ?
C22_3 H22_3 0.9500 . ?
C23_3 C24_3 1.340(8) . ?
C23_3 H23_3 0.9500 . ?
C24_3 C25_3 1.412(8) . ?
C24_3 C27_3 1.511(7) . ?
C25_3 C26_3 1.412(7) . ?
C25_3 H25_3 0.9500 . ?
C26_3 H26_3 0.9500 . ?
C27_3 O5_3 1.210(7) . ?
C27_3 O6_3 1.299(7) . ?
O1_3 H2B_3 0.8400 . ?
O2_3 H2A_3 0.8400 . ?
O3_3 H3A_3 0.8400 . ?
O6_3 H6A_3 0.8400 . ?
C1_4 C2_4 1.377(7) . ?
C1_4 C6_4 1.379(7) . ?
C1_4 C7_4 1.547(9) . ?
C2_4 C3_4 1.357(8) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.380(7) . ?
C3_4 C14_4 1.503(7) . ?
C4_4 C5_4 1.370(7) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.367(8) . ?
C5_4 C21_4 1.534(8) . ?
C6_4 H6_4 0.9500 . ?
C7_4 C8_4 1.370(8) . ?
C7_4 C12_4 1.378(8) . ?
C8_4 C9_4 1.381(8) . ?
C8_4 H8_4 0.9500 . ?
C9_4 C10_4 1.412(8) . ?
C9_4 H9_4 0.9500 . ?
C10_4 C11_4 1.423(8) . ?
C10_4 C13_4 1.461(9) . ?
C11_4 C12_4 1.359(8) . ?
C11_4 H11_4 0.9500 . ?
C12_4 H12_4 0.9500 . ?
C13_4 O2_4 1.248(7) . ?
C13_4 O1_4 1.311(7) . ?
C14_4 C15_4 1.379(8) . ?
C14_4 C19_4 1.406(8) . ?
C15_4 C16_4 1.375(7) . ?
C15_4 H15_4 0.9500 . ?
C16_4 C17_4 1.410(8) . ?
C16_4 H16_4 0.9500 . ?
C17_4 C18_4 1.375(8) . ?
C17_4 C20_4 1.493(8) . ?
C18_4 C19_4 1.399(7) . ?
C18_4 H18_4 0.9500 . ?
C19_4 H19_4 0.9500 . ?
C20_4 O3_4 1.240(7) . ?
C20_4 O4_4 1.281(7) . ?
C21_4 C26_4 1.335(8) . ?
C21_4 C22_4 1.408(8) . ?
C22_4 C23_4 1.400(8) . ?
C22_4 H22_4 0.9500 . ?
C23_4 C24_4 1.397(9) . ?
C23_4 H23_4 0.9500 . ?
C24_4 C25_4 1.352(8) . ?
C24_4 C27_4 1.453(8) . ?
C25_4 C26_4 1.380(7) . ?
C25_4 H25_4 0.9500 . ?
C26_4 H26_4 0.9500 . ?
C27_4 O5_4 1.282(8) . ?
C27_4 O6_4 1.288(8) . ?
O1_4 H1A_4 0.8400 . ?
O3_4 H3A_4 0.8400 . ?
O6_4 H6A_4 0.8400 . ?
C1_5 C6_5 1.383(8) . ?
C1_5 C2_5 1.385(7) . ?
C1_5 C7_5 1.496(8) . ?
C2_5 C3_5 1.384(8) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.368(8) . ?
C3_5 C14_5 1.532(8) . ?
C4_5 C5_5 1.410(8) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.386(8) . ?
C5_5 C21_5 1.500(8) . ?
C6_5 H6_5 0.9500 . ?
C7_5 C8_5 1.365(8) . ?
C7_5 C12_5 1.422(8) . ?
C8_5 C9_5 1.368(8) . ?
C8_5 H8_5 0.9500 . ?
C9_5 C10_5 1.395(8) . ?
C9_5 H9_5 0.9500 . ?
C10_5 C11_5 1.347(8) . ?
C10_5 C13_5 1.543(9) . ?
C11_5 C12_5 1.420(9) . ?
C11_5 H11_5 0.9500 . ?
C12_5 H12_5 0.9500 . ?
C13_5 O2_5 1.213(6) . ?
C13_5 O1_5 1.278(7) . ?
C14_5 C19_5 1.383(8) . ?
C14_5 C15_5 1.392(8) . ?
C15_5 C16_5 1.407(7) . ?
C15_5 H15_5 0.9500 . ?
C16_5 C17_5 1.390(8) . ?
C16_5 H16_5 0.9500 . ?
C17_5 C18_5 1.360(8) . ?
C17_5 C20_5 1.512(8) . ?
C18_5 C19_5 1.391(7) . ?
C18_5 H18_5 0.9500 . ?
C19_5 H19_5 0.9500 . ?
C20_5 O3_5 1.244(7) . ?
C20_5 O4_5 1.297(7) . ?
C21_5 C22_5 1.358(8) . ?
C21_5 C26_5 1.428(8) . ?
C22_5 C23_5 1.405(7) . ?
C22_5 H22_5 0.9500 . ?
C23_5 C24_5 1.387(8) . ?
C23_5 H23_5 0.9500 . ?
C24_5 C25_5 1.400(8) . ?
C24_5 C27_5 1.497(8) . ?
C25_5 C26_5 1.366(8) . ?
C25_5 H25_5 0.9500 . ?
C26_5 H26_5 0.9500 . ?
C27_5 O6_5 1.272(7) . ?
C27_5 O5_5 1.292(7) . ?
O2_5 H2A_5 0.8400 . ?
O3_5 H3A_5 0.8400 . ?
O6_5 H6A_5 0.8400 . ?
C1_6 C6_6 1.391(7) . ?
C1_6 C2_6 1.403(7) . ?
C1_6 C7_6 1.488(8) . ?
C2_6 C3_6 1.383(7) . ?
C2_6 H2_6 0.9500 . ?
C3_6 C4_6 1.397(7) . ?
C3_6 C14_6 1.510(7) . ?
C4_6 C5_6 1.416(7) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.414(8) . ?
C5_6 C21_6 1.473(7) . ?
C6_6 H6_6 0.9500 . ?
C7_6 C8_6 1.381(8) . ?
C7_6 C12_6 1.434(8) . ?
C8_6 C9_6 1.365(8) . ?
C8_6 H8_6 0.9500 . ?
C9_6 C10_6 1.398(8) . ?
C9_6 H9_6 0.9500 . ?
C10_6 C11_6 1.363(8) . ?
C10_6 C13_6 1.487(9) . ?
C11_6 C12_6 1.386(8) . ?
C11_6 H11_6 0.9500 . ?
C12_6 H12_6 0.9500 . ?
C13_6 O2_6 1.243(7) . ?
C13_6 O1_6 1.270(7) . ?
C14_6 C19_6 1.363(7) . ?
C14_6 C15_6 1.408(8) . ?
C15_6 C16_6 1.392(7) . ?
C15_6 H15_6 0.9500 . ?
C16_6 C17_6 1.363(7) . ?
C16_6 H16_6 0.9500 . ?
C17_6 C18_6 1.371(8) . ?
C17_6 C20_6 1.493(8) . ?
C18_6 C19_6 1.376(7) . ?
C18_6 H18_6 0.9500 . ?
C19_6 H19_6 0.9500 . ?
C20_6 O4_6 1.227(7) . ?
C20_6 O3_6 1.334(7) . ?
C21_6 C26_6 1.404(7) . ?
C21_6 C22_6 1.419(7) . ?
C22_6 C23_6 1.381(7) . ?
C22_6 H22_6 0.9500 . ?
C23_6 C24_6 1.385(8) . ?
C23_6 H23_6 0.9500 . ?
C24_6 C25_6 1.437(7) . ?
C24_6 C27_6 1.447(8) . ?
C25_6 C26_6 1.373(7) . ?
C25_6 H25_6 0.9500 . ?
C26_6 H26_6 0.9500 . ?
C27_6 O5_6 1.275(7) . ?
C27_6 O6_6 1.304(7) . ?
O2_6 H2A_6 0.8400 . ?
O3_6 H3A_6 0.8400 . ?
O6_6 H6A_6 0.8400 . ?
C1_7 C2_7 1.389(7) . ?
C1_7 C6_7 1.405(7) . ?
C1_7 C7_7 1.444(8) . ?
C2_7 C3_7 1.400(8) . ?
C2_7 H2_7 0.9500 . ?
C3_7 C4_7 1.375(7) . ?
C3_7 C14_7 1.511(7) . ?
C4_7 C5_7 1.405(7) . ?
C4_7 H4_7 0.9500 . ?
C5_7 C6_7 1.380(8) . ?
C5_7 C21_7 1.471(8) . ?
C6_7 H6_7 0.9500 . ?
C7_7 C12_7 1.427(7) . ?
C7_7 C8_7 1.431(7) . ?
C8_7 C9_7 1.386(8) . ?
C8_7 H8_7 0.9500 . ?
C9_7 C10_7 1.384(8) . ?
C9_7 H9_7 0.9500 . ?
C10_7 C11_7 1.402(8) . ?
C10_7 C13_7 1.510(9) . ?
C11_7 C12_7 1.406(8) . ?
C11_7 H11_7 0.9500 . ?
C12_7 H12_7 0.9500 . ?
C13_7 O2_7 1.225(7) . ?
C13_7 O1_7 1.287(7) . ?
C14_7 C19_7 1.395(8) . ?
C14_7 C15_7 1.395(8) . ?
C15_7 C16_7 1.339(8) . ?
C15_7 H15_7 0.9500 . ?
C16_7 C17_7 1.382(8) . ?
C16_7 H16_7 0.9500 . ?
C17_7 C18_7 1.408(8) . ?
C17_7 C20_7 1.454(8) . ?
C18_7 C19_7 1.392(8) . ?
C18_7 H18_7 0.9500 . ?
C19_7 H19_7 0.9500 . ?
C20_7 O4_7 1.260(7) . ?
C20_7 O3_7 1.316(8) . ?
C21_7 C22_7 1.357(8) . ?
C21_7 C26_7 1.406(8) . ?
C22_7 C23_7 1.398(7) . ?
C22_7 H22_7 0.9500 . ?
C23_7 C24_7 1.366(8) . ?
C23_7 H23_7 0.9500 . ?
C24_7 C25_7 1.395(8) . ?
C24_7 C27_7 1.461(8) . ?
C25_7 C26_7 1.352(8) . ?
C25_7 H25_7 0.9500 . ?
C26_7 H26_7 0.9500 . ?
C27_7 O5_7 1.238(8) . ?
C27_7 O6_7 1.342(8) . ?
O2_7 H2A_7 0.8400 . ?
O3_7 H3A_7 0.8400 . ?
O6_7 H6A_7 0.8400 . ?
C1_8 C6_8 1.377(7) . ?
C1_8 C2_8 1.417(7) . ?
C1_8 C7_8 1.498(8) . ?
C2_8 C3_8 1.367(7) . ?
C2_8 H2_8 0.9500 . ?
C3_8 C4_8 1.408(7) . ?
C3_8 C14_8 1.481(7) . ?
C4_8 C5_8 1.409(7) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.377(8) . ?
C5_8 C21_8 1.505(8) . ?
C6_8 H6_8 0.9500 . ?
C7_8 C12_8 1.382(7) . ?
C7_8 C8_8 1.385(7) . ?
C8_8 C9_8 1.391(7) . ?
C8_8 H8_8 0.9500 . ?
C9_8 C10_8 1.380(7) . ?
C9_8 H9_8 0.9500 . ?
C10_8 C11_8 1.405(8) . ?
C10_8 C13_8 1.447(8) . ?
C11_8 C12_8 1.399(8) . ?
C11_8 H11_8 0.9500 . ?
C12_8 H12_8 0.9500 . ?
C13_8 O2_8 1.254(6) . ?
C13_8 O1_8 1.333(6) . ?
C14_8 C15_8 1.398(8) . ?
C14_8 C19_8 1.424(7) . ?
C15_8 C16_8 1.368(7) . ?
C15_8 H15_8 0.9500 . ?
C16_8 C17_8 1.364(8) . ?
C16_8 H16_8 0.9500 . ?
C17_8 C18_8 1.408(8) . ?
C17_8 C20_8 1.475(8) . ?
C18_8 C19_8 1.366(7) . ?
C18_8 H18_8 0.9500 . ?
C19_8 H19_8 0.9500 . ?
C20_8 O3_8 1.262(7) . ?
C20_8 O4_8 1.287(7) . ?
C21_8 C26_8 1.342(8) . ?
C21_8 C22_8 1.417(8) . ?
C22_8 C23_8 1.370(8) . ?
C22_8 H22_8 0.9500 . ?
C23_8 C24_8 1.353(8) . ?
C23_8 H23_8 0.9500 . ?
C24_8 C25_8 1.380(8) . ?
C24_8 C27_8 1.525(9) . ?
C25_8 C26_8 1.412(8) . ?
C25_8 H25_8 0.9500 . ?
C26_8 H26_8 0.9500 . ?
C27_8 O6_8 1.246(8) . ?
C27_8 O5_8 1.318(7) . ?
O1_8 H1A_8 0.8400 . ?
O4_8 H4A_8 0.8400 . ?
O6_8 H6A_8 0.8400 . ?
C1_9 C6_9 1.390(7) . ?
C1_9 C2_9 1.400(7) . ?
C1_9 C7_9 1.452(8) . ?
C2_9 C3_9 1.445(8) . ?
C2_9 H2_9 0.9500 . ?
C3_9 C4_9 1.371(8) . ?
C3_9 C14_9 1.457(8) . ?
C4_9 C5_9 1.389(7) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C6_9 1.352(8) . ?
C5_9 C21_9 1.505(7) . ?
C6_9 H6_9 0.9500 . ?
C7_9 C12_9 1.401(7) . ?
C7_9 C8_9 1.429(7) . ?
C8_9 C9_9 1.372(7) . ?
C8_9 H8_9 0.9500 . ?
C9_9 C10_9 1.420(7) . ?
C9_9 H9_9 0.9500 . ?
C10_9 C11_9 1.421(8) . ?
C10_9 C13_9 1.454(8) . ?
C11_9 C12_9 1.358(7) . ?
C11_9 H11_9 0.9500 . ?
C12_9 H12_9 0.9500 . ?
C13_9 O2_9 1.238(7) . ?
C13_9 O1_9 1.282(7) . ?
C14_9 C15_9 1.378(8) . ?
C14_9 C19_9 1.417(7) . ?
C15_9 C16_9 1.375(7) . ?
C15_9 H15_9 0.9500 . ?
C16_9 C17_9 1.395(8) . ?
C16_9 H16_9 0.9500 . ?
C17_9 C18_9 1.374(8) . ?
C17_9 C20_9 1.478(8) . ?
C18_9 C19_9 1.409(7) . ?
C18_9 H18_9 0.9500 . ?
C19_9 H19_9 0.9500 . ?
C20_9 O4_9 1.236(7) . ?
C20_9 O3_9 1.278(7) . ?
C21_9 C26_9 1.388(8) . ?
C21_9 C22_9 1.429(7) . ?
C22_9 C23_9 1.410(8) . ?
C22_9 H22_9 0.9500 . ?
C23_9 C24_9 1.400(8) . ?
C23_9 H23_9 0.9500 . ?
C24_9 C25_9 1.369(8) . ?
C24_9 C27_9 1.438(8) . ?
C25_9 C26_9 1.366(7) . ?
C25_9 H25_9 0.9500 . ?
C26_9 H26_9 0.9500 . ?
C27_9 O5_9 1.212(7) . ?
C27_9 O6_9 1.308(7) . ?
O1_9 H1A_9 0.8400 . ?
O3_9 H3A_9 0.8400 . ?
O6_9 H6A_9 0.8400 . ?
C1_10 C2_10 1.361(8) . ?
C1_10 C6_10 1.388(8) . ?
C1_10 C7_10 1.503(8) . ?
C2_10 C3_10 1.382(9) . ?
C2_10 H2_10 0.9500 . ?
C3_10 C4_10 1.382(8) . ?
C3_10 C14_10 1.515(8) . ?
C4_10 C5_10 1.371(7) . ?
C4_10 H4_10 0.9500 . ?
C5_10 C6_10 1.379(8) . ?
C5_10 C21_10 1.491(8) . ?
C6_10 H6_10 0.9500 . ?
C7_10 C8_10 1.380(8) . ?
C7_10 C12_10 1.402(8) . ?
C8_10 C9_10 1.376(8) . ?
C8_10 H8_10 0.9500 . ?
C9_10 C10_10 1.378(8) . ?
C9_10 H9_10 0.9500 . ?
C10_10 C11_10 1.406(8) . ?
C10_10 C13_10 1.466(9) . ?
C11_10 C12_10 1.396(8) . ?
C11_10 H11_10 0.9500 . ?
C12_10 H12_10 0.9500 . ?
C13_10 O2_10 1.268(7) . ?
C13_10 O1_10 1.312(7) . ?
C14_10 C15_10 1.374(8) . ?
C14_10 C19_10 1.411(8) . ?
C15_10 C16_10 1.351(8) . ?
C15_10 H15_10 0.9500 . ?
C16_10 C17_10 1.365(9) . ?
C16_10 H16_10 0.9500 . ?
C17_10 C18_10 1.420(9) . ?
C17_10 C20_10 1.508(8) . ?
C18_10 C19_10 1.373(8) . ?
C18_10 H18_10 0.9500 . ?
C19_10 H19_10 0.9500 . ?
C20_10 O4_10 1.247(8) . ?
C20_10 O3_10 1.301(8) . ?
C21_10 C22_10 1.375(8) . ?
C21_10 C26_10 1.411(8) . ?
C22_10 C23_10 1.365(8) . ?
C22_10 H22_10 0.9500 . ?
C23_10 C24_10 1.365(8) . ?
C23_10 H23_10 0.9500 . ?
C24_10 C25_10 1.398(8) . ?
C24_10 C27_10 1.464(8) . ?
C25_10 C26_10 1.420(8) . ?
C25_10 H25_10 0.9500 . ?
C26_10 H26_10 0.9500 . ?
C27_10 O5_10 1.239(7) . ?
C27_10 O6_10 1.332(7) . ?
O1_10 H1A_10 0.8400 . ?
O3_10 H3A_10 0.8400 . ?
O6_10 H6A_10 0.8400 . ?
C1_11 C2_11 1.353(8) . ?
C1_11 C6_11 1.404(8) . ?
C1_11 C7_11 1.444(8) . ?
C2_11 C3_11 1.390(8) . ?
C2_11 H2_11 0.9500 . ?
C3_11 C4_11 1.410(8) . ?
C3_11 C14_11 1.541(9) . ?
C4_11 C5_11 1.428(9) . ?
C4_11 H4_11 0.9500 . ?
C5_11 C6_11 1.387(9) . ?
C5_11 C21_11 1.500(8) . ?
C6_11 H6_11 0.9500 . ?
C7_11 C12_11 1.400(8) . ?
C7_11 C8_11 1.413(8) . ?
C8_11 C9_11 1.347(8) . ?
C8_11 H8_11 0.9500 . ?
C9_11 C10_11 1.411(8) . ?
C9_11 H9_11 0.9500 . ?
C10_11 C11_11 1.373(8) . ?
C10_11 C13_11 1.477(8) . ?
C11_11 C12_11 1.406(9) . ?
C11_11 H11_11 0.9500 . ?
C12_11 H12_11 0.9500 . ?
C13_11 O1_11 1.238(6) . ?
C13_11 O2_11 1.269(7) . ?
C14_11 C15_11 1.382(8) . ?
C14_11 C19_11 1.410(8) . ?
C15_11 C16_11 1.312(8) . ?
C15_11 H15_11 0.9500 . ?
C16_11 C17_11 1.397(8) . ?
C16_11 H16_11 0.9500 . ?
C17_11 C18_11 1.384(9) . ?
C17_11 C20_11 1.474(9) . ?
C18_11 C19_11 1.421(8) . ?
C18_11 H18_11 0.9500 . ?
C19_11 H19_11 0.9500 . ?
C20_11 O3_11 1.260(8) . ?
C20_11 O4_11 1.287(8) . ?
C21_11 C22_11 1.375(9) . ?
C21_11 C26_11 1.377(8) . ?
C22_11 C23_11 1.404(10) . ?
C22_11 H22_11 0.9500 . ?
C23_11 C24_11 1.293(9) . ?
C23_11 H23_11 0.9500 . ?
C24_11 C25_11 1.412(9) . ?
C24_11 C27_11 1.504(9) . ?
C25_11 C26_11 1.349(8) . ?
C25_11 H25_11 0.9500 . ?
C26_11 H26_11 0.9500 . ?
C27_11 O5_11 1.260(8) . ?
C27_11 O6_11 1.304(8) . ?
O2_11 H2A_11 0.8400 . ?
O3_11 H3A_11 0.8400 . ?
O6_11 H6A_11 0.8400 . ?
C1_12 C7_12 1.415(8) . ?
C1_12 C6_12 1.417(8) . ?
C1_12 C2_12 1.432(8) . ?
C2_12 C3_12 1.408(8) . ?
C2_12 H2_12 0.9500 . ?
C3_12 C4_12 1.375(7) . ?
C3_12 C14_12 1.468(8) . ?
C4_12 C5_12 1.418(8) . ?
C4_12 H4_12 0.9500 . ?
C5_12 C6_12 1.381(8) . ?
C5_12 C21_12 1.470(8) . ?
C6_12 H6_12 0.9500 . ?
C7_12 C8_12 1.394(8) . ?
C7_12 C12_12 1.401(8) . ?
C8_12 C9_12 1.386(8) . ?
C8_12 H8_12 0.9500 . ?
C9_12 C10_12 1.395(8) . ?
C9_12 H9_12 0.9500 . ?
C10_12 C11_12 1.409(8) . ?
C10_12 C13_12 1.471(9) . ?
C11_12 C12_12 1.365(8) . ?
C11_12 H11_12 0.9500 . ?
C12_12 H12_12 0.9500 . ?
C13_12 O1_12 1.245(7) . ?
C13_12 O2_12 1.272(7) . ?
C14_12 C15_12 1.375(8) . ?
C14_12 C19_12 1.384(8) . ?
C15_12 C16_12 1.378(8) . ?
C15_12 H15_12 0.9500 . ?
C16_12 C17_12 1.393(8) . ?
C16_12 H16_12 0.9500 . ?
C17_12 C18_12 1.368(8) . ?
C17_12 C20_12 1.447(8) . ?
C18_12 C19_12 1.371(8) . ?
C18_12 H18_12 0.9500 . ?
C19_12 H19_12 0.9500 . ?
C20_12 O3_12 1.276(7) . ?
C20_12 O4_12 1.280(7) . ?
C21_12 C22_12 1.375(8) . ?
C21_12 C26_12 1.420(8) . ?
C22_12 C23_12 1.400(8) . ?
C22_12 H22_12 0.9500 . ?
C23_12 C24_12 1.401(8) . ?
C23_12 H23_12 0.9500 . ?
C24_12 C25_12 1.378(8) . ?
C24_12 C27_12 1.462(8) . ?
C25_12 C26_12 1.351(8) . ?
C25_12 H25_12 0.9500 . ?
C26_12 H26_12 0.9500 . ?
C27_12 O5_12 1.294(7) . ?
C27_12 O6_12 1.316(7) . ?
O2_12 H2A_12 0.8400 . ?
O3_12 H3A_12 0.8400 . ?
O6_12 H6A_12 0.8400 . ?
C1_13 C2_13 1.378(8) . ?
C1_13 C6_13 1.420(7) . ?
C1_13 C7_13 1.461(8) . ?
C2_13 C3_13 1.416(8) . ?
C2_13 H2_13 0.9500 . ?
C3_13 C4_13 1.410(7) . ?
C3_13 C14_13 1.452(8) . ?
C4_13 C5_13 1.422(7) . ?
C4_13 H4_13 0.9500 . ?
C5_13 C6_13 1.394(8) . ?
C5_13 C21_13 1.459(8) . ?
C6_13 H6_13 0.9500 . ?
C7_13 C8_13 1.398(8) . ?
C7_13 C12_13 1.423(8) . ?
C8_13 C9_13 1.385(8) . ?
C8_13 H8_13 0.9500 . ?
C9_13 C10_13 1.382(8) . ?
C9_13 H9_13 0.9500 . ?
C10_13 C11_13 1.387(8) . ?
C10_13 C13_13 1.518(9) . ?
C11_13 C12_13 1.368(8) . ?
C11_13 H11_13 0.9500 . ?
C12_13 H12_13 0.9500 . ?
C13_13 O2_13 1.241(8) . ?
C13_13 O1_13 1.280(8) . ?
C14_13 C15_13 1.415(8) . ?
C14_13 C19_13 1.438(8) . ?
C15_13 C16_13 1.344(8) . ?
C15_13 H15_13 0.9500 . ?
C16_13 C17_13 1.388(8) . ?
C16_13 H16_13 0.9500 . ?
C17_13 C18_13 1.383(8) . ?
C17_13 C20_13 1.540(8) . ?
C18_13 C19_13 1.360(8) . ?
C18_13 H18_13 0.9500 . ?
C19_13 H19_13 0.9500 . ?
C20_13 O3_13 1.254(8) . ?
C20_13 O4_13 1.268(8) . ?
C21_13 C22_13 1.400(8) . ?
C21_13 C26_13 1.420(8) . ?
C22_13 C23_13 1.376(8) . ?
C22_13 H22_13 0.9500 . ?
C23_13 C24_13 1.362(8) . ?
C23_13 H23_13 0.9500 . ?
C24_13 C25_13 1.384(8) . ?
C24_13 C27_13 1.501(8) . ?
C25_13 C26_13 1.381(7) . ?
C25_13 H25_13 0.9500 . ?
C26_13 H26_13 0.9500 . ?
C27_13 O6_13 1.236(7) . ?
C27_13 O5_13 1.286(7) . ?
O2_13 H2A_13 0.8400 . ?
O3_13 H3A_13 0.8400 . ?
O6_13 H6A_13 0.8400 . ?
C1_14 C2_14 1.391(8) . ?
C1_14 C6_14 1.399(8) . ?
C1_14 C7_14 1.492(8) . ?
C2_14 C3_14 1.408(8) . ?
C2_14 H2_14 0.9500 . ?
C3_14 C4_14 1.363(7) . ?
C3_14 C14_14 1.483(8) . ?
C4_14 C5_14 1.408(7) . ?
C4_14 H4_14 0.9500 . ?
C5_14 C6_14 1.381(8) . ?
C5_14 C21_14 1.510(7) . ?
C6_14 H6_14 0.9500 . ?
C7_14 C12_14 1.364(8) . ?
C7_14 C8_14 1.426(8) . ?
C8_14 C9_14 1.353(8) . ?
C8_14 H8_14 0.9500 . ?
C9_14 C10_14 1.376(8) . ?
C9_14 H9_14 0.9500 . ?
C10_14 C11_14 1.443(8) . ?
C10_14 C13_14 1.491(8) . ?
C11_14 C12_14 1.342(8) . ?
C11_14 H11_14 0.9500 . ?
C12_14 H12_14 0.9500 . ?
C13_14 O2_14 1.221(6) . ?
C13_14 O1_14 1.274(7) . ?
C14_14 C19_14 1.373(8) . ?
C14_14 C15_14 1.413(8) . ?
C15_14 C16_14 1.346(8) . ?
C15_14 H15_14 0.9500 . ?
C16_14 C17_14 1.420(9) . ?
C16_14 H16_14 0.9500 . ?
C17_14 C18_14 1.387(9) . ?
C17_14 C20_14 1.498(9) . ?
C18_14 C19_14 1.411(8) . ?
C18_14 H18_14 0.9500 . ?
C19_14 H19_14 0.9500 . ?
C20_14 O3_14 1.254(8) . ?
C20_14 O4_14 1.335(8) . ?
C21_14 C26_14 1.347(8) . ?
C21_14 C22_14 1.378(8) . ?
C22_14 C23_14 1.393(8) . ?
C22_14 H22_14 0.9500 . ?
C23_14 C24_14 1.324(8) . ?
C23_14 H23_14 0.9500 . ?
C24_14 C25_14 1.377(8) . ?
C24_14 C27_14 1.500(8) . ?
C25_14 C26_14 1.416(8) . ?
C25_14 H25_14 0.9500 . ?
C26_14 H26_14 0.9500 . ?
C27_14 O5_14 1.224(7) . ?
C27_14 O6_14 1.326(7) . ?
O2_14 H2A_14 0.8400 . ?
O3_14 H3A_14 0.8400 . ?
O6_14 H6A_14 0.8400 . ?
C1_15 C2_15 1.380(7) . ?
C1_15 C6_15 1.414(7) . ?
C1_15 C7_15 1.470(8) . ?
C2_15 C3_15 1.391(8) . ?
C2_15 H2_15 0.9500 . ?
C3_15 C4_15 1.408(7) . ?
C3_15 C14_15 1.504(7) . ?
C4_15 C5_15 1.415(7) . ?
C4_15 H4_15 0.9500 . ?
C5_15 C6_15 1.377(8) . ?
C5_15 C21_15 1.498(7) . ?
C6_15 H6_15 0.9500 . ?
C7_15 C12_15 1.380(8) . ?
C7_15 C8_15 1.417(8) . ?
C8_15 C9_15 1.401(8) . ?
C8_15 H8_15 0.9500 . ?
C9_15 C10_15 1.412(8) . ?
C9_15 H9_15 0.9500 . ?
C10_15 C11_15 1.412(8) . ?
C10_15 C13_15 1.476(8) . ?
C11_15 C12_15 1.360(8) . ?
C11_15 H11_15 0.9500 . ?
C12_15 H12_15 0.9500 . ?
C13_15 O1_15 1.244(7) . ?
C13_15 O2_15 1.260(6) . ?
C14_15 C19_15 1.354(8) . ?
C14_15 C15_15 1.417(8) . ?
C15_15 C16_15 1.357(7) . ?
C15_15 H15_15 0.9500 . ?
C16_15 C17_15 1.392(8) . ?
C16_15 H16_15 0.9500 . ?
C17_15 C18_15 1.366(8) . ?
C17_15 C20_15 1.458(8) . ?
C18_15 C19_15 1.402(7) . ?
C18_15 H18_15 0.9500 . ?
C19_15 H19_15 0.9500 . ?
C20_15 O3_15 1.248(7) . ?
C20_15 O4_15 1.287(7) . ?
C21_15 C22_15 1.381(7) . ?
C21_15 C26_15 1.393(7) . ?
C22_15 C23_15 1.379(8) . ?
C22_15 H22_15 0.9500 . ?
C23_15 C24_15 1.389(8) . ?
C23_15 H23_15 0.9500 . ?
C24_15 C25_15 1.365(8) . ?
C24_15 C27_15 1.494(8) . ?
C25_15 C26_15 1.377(7) . ?
C25_15 H25_15 0.9500 . ?
C26_15 H26_15 0.9500 . ?
C27_15 O5_15 1.233(7) . ?
C27_15 O6_15 1.297(7) . ?
O2_15 H2A_15 0.8400 . ?
O3_15 H3A_15 0.8400 . ?
O6_15 H6A_15 0.8400 . ?
C1_16 C6_16 1.415(8) . ?
C1_16 C2_16 1.416(7) . ?
C1_16 C7_16 1.468(8) . ?
C2_16 C3_16 1.417(8) . ?
C2_16 H2_16 0.9500 . ?
C3_16 C4_16 1.396(7) . ?
C3_16 C14_16 1.473(7) . ?
C4_16 C5_16 1.419(7) . ?
C4_16 H4_16 0.9500 . ?
C5_16 C6_16 1.352(8) . ?
C5_16 C21_16 1.477(8) . ?
C6_16 H6_16 0.9500 . ?
C7_16 C8_16 1.387(8) . ?
C7_16 C12_16 1.441(8) . ?
C8_16 C9_16 1.398(8) . ?
C8_16 H8_16 0.9500 . ?
C9_16 C10_16 1.367(8) . ?
C9_16 H9_16 0.9500 . ?
C10_16 C11_16 1.379(8) . ?
C10_16 C13_16 1.480(9) . ?
C11_16 C12_16 1.371(8) . ?
C11_16 H11_16 0.9500 . ?
C12_16 H12_16 0.9500 . ?
C13_16 O2_16 1.263(7) . ?
C13_16 O1_16 1.299(7) . ?
C14_16 C15_16 1.402(8) . ?
C14_16 C19_16 1.412(7) . ?
C15_16 C16_16 1.394(7) . ?
C15_16 H15_16 0.9500 . ?
C16_16 C17_16 1.371(8) . ?
C16_16 H16_16 0.9500 . ?
C17_16 C18_16 1.429(8) . ?
C17_16 C20_16 1.454(8) . ?
C18_16 C19_16 1.380(7) . ?
C18_16 H18_16 0.9500 . ?
C19_16 H19_16 0.9500 . ?
C20_16 O4_16 1.266(7) . ?
C20_16 O3_16 1.304(7) . ?
C21_16 C26_16 1.391(8) . ?
C21_16 C22_16 1.397(8) . ?
C22_16 C23_16 1.367(8) . ?
C22_16 H22_16 0.9500 . ?
C23_16 C24_16 1.376(8) . ?
C23_16 H23_16 0.9500 . ?
C24_16 C25_16 1.370(8) . ?
C24_16 C27_16 1.494(8) . ?
C25_16 C26_16 1.367(8) . ?
C25_16 H25_16 0.9500 . ?
C26_16 H26_16 0.9500 . ?
C27_16 O6_16 1.254(7) . ?
C27_16 O5_16 1.295(7) . ?
O1_16 H1A_16 0.8400 . ?
O3_16 H3A_16 0.8400 . ?
O6_16 H6A_16 0.8400 . ?
C1_17 C2_17 1.384(8) . ?
C1_17 C6_17 1.394(7) . ?
C1_17 C7_17 1.483(8) . ?
C2_17 C3_17 1.411(8) . ?
C2_17 H2_17 0.9500 . ?
C3_17 C4_17 1.378(8) . ?
C3_17 C14_17 1.463(8) . ?
C4_17 C5_17 1.390(8) . ?
C4_17 H4_17 0.9500 . ?
C5_17 C6_17 1.408(8) . ?
C5_17 C21_17 1.439(7) . ?
C6_17 H6_17 0.9500 . ?
C7_17 C12_17 1.359(8) . ?
C7_17 C8_17 1.439(8) . ?
C8_17 C9_17 1.388(8) . ?
C8_17 H8_17 0.9500 . ?
C9_17 C10_17 1.399(8) . ?
C9_17 H9_17 0.9500 . ?
C10_17 C11_17 1.325(8) . ?
C10_17 C13_17 1.495(9) . ?
C11_17 C12_17 1.419(8) . ?
C11_17 H11_17 0.9500 . ?
C12_17 H12_17 0.9500 . ?
C13_17 O2_17 1.230(7) . ?
C13_17 O1_17 1.277(7) . ?
C14_17 C19_17 1.364(8) . ?
C14_17 C15_17 1.406(8) . ?
C15_17 C16_17 1.368(8) . ?
C15_17 H15_17 0.9500 . ?
C16_17 C17_17 1.407(8) . ?
C16_17 H16_17 0.9500 . ?
C17_17 C18_17 1.359(8) . ?
C17_17 C20_17 1.509(8) . ?
C18_17 C19_17 1.381(8) . ?
C18_17 H18_17 0.9500 . ?
C19_17 H19_17 0.9500 . ?
C20_17 O3_17 1.259(8) . ?
C20_17 O4_17 1.309(8) . ?
C21_17 C22_17 1.394(8) . ?
C21_17 C26_17 1.471(8) . ?
C22_17 C23_17 1.389(8) . ?
C22_17 H22_17 0.9500 . ?
C23_17 C24_17 1.369(8) . ?
C23_17 H23_17 0.9500 . ?
C24_17 C25_17 1.391(8) . ?
C24_17 C27_17 1.472(8) . ?
C25_17 C26_17 1.361(7) . ?
C25_17 H25_17 0.9500 . ?
C26_17 H26_17 0.9500 . ?
C27_17 O6_17 1.257(7) . ?
C27_17 O5_17 1.268(7) . ?
O1_17 H1A_17 0.8400 . ?
O3_17 H3A_17 0.8400 . ?
O6_17 H6A_17 0.8400 . ?
C1_18 C6_18 1.394(7) . ?
C1_18 C2_18 1.399(7) . ?
C1_18 C7_18 1.471(8) . ?
C2_18 C3_18 1.431(8) . ?
C2_18 H2_18 0.9500 . ?
C3_18 C4_18 1.372(7) . ?
C3_18 C14_18 1.457(8) . ?
C4_18 C5_18 1.396(7) . ?
C4_18 H4_18 0.9500 . ?
C5_18 C6_18 1.398(7) . ?
C5_18 C21_18 1.491(7) . ?
C6_18 H6_18 0.9500 . ?
C7_18 C8_18 1.378(7) . ?
C7_18 C12_18 1.382(7) . ?
C8_18 C9_18 1.430(8) . ?
C8_18 H8_18 0.9500 . ?
C9_18 C10_18 1.381(7) . ?
C9_18 H9_18 0.9500 . ?
C10_18 C11_18 1.412(7) . ?
C10_18 C13_18 1.453(8) . ?
C11_18 C12_18 1.372(8) . ?
C11_18 H11_18 0.9500 . ?
C12_18 H12_18 0.9500 . ?
C13_18 O2_18 1.220(6) . ?
C13_18 O1_18 1.294(6) . ?
C14_18 C19_18 1.382(8) . ?
C14_18 C15_18 1.424(8) . ?
C15_18 C16_18 1.356(8) . ?
C15_18 H15_18 0.9500 . ?
C16_18 C17_18 1.379(8) . ?
C16_18 H16_18 0.9500 . ?
C17_18 C18_18 1.396(8) . ?
C17_18 C20_18 1.436(8) . ?
C18_18 C19_18 1.415(8) . ?
C18_18 H18_18 0.9500 . ?
C19_18 H19_18 0.9500 . ?
C20_18 O4_18 1.248(8) . ?
C20_18 O3_18 1.289(8) . ?
C21_18 C26_18 1.366(8) . ?
C21_18 C22_18 1.382(8) . ?
C22_18 C23_18 1.383(7) . ?
C22_18 H22_18 0.9500 . ?
C23_18 C24_18 1.358(8) . ?
C23_18 H23_18 0.9500 . ?
C24_18 C25_18 1.409(8) . ?
C24_18 C27_18 1.501(8) . ?
C25_18 C26_18 1.408(8) . ?
C25_18 H25_18 0.9500 . ?
C26_18 H26_18 0.9500 . ?
C27_18 O6_18 1.241(7) . ?
C27_18 O5_18 1.344(7) . ?
O1_18 H1A_18 0.8400 . ?
O3_18 H3A_18 0.8400 . ?
O6_18 H6A_18 0.8400 . ?
C1_19 C2_19 1.376(7) . ?
C1_19 C6_19 1.390(7) . ?
C1_19 C7_19 1.494(8) . ?
C2_19 C3_19 1.403(8) . ?
C2_19 H2_19 0.9500 . ?
C3_19 C4_19 1.385(7) . ?
C3_19 C14_19 1.499(7) . ?
C4_19 C5_19 1.391(7) . ?
C4_19 H4_19 0.9500 . ?
C5_19 C6_19 1.411(8) . ?
C5_19 C21_19 1.470(8) . ?
C6_19 H6_19 0.9500 . ?
C7_19 C8_19 1.379(7) . ?
C7_19 C12_19 1.384(7) . ?
C8_19 C9_19 1.383(8) . ?
C8_19 H8_19 0.9500 . ?
C9_19 C10_19 1.396(8) . ?
C9_19 H9_19 0.9500 . ?
C10_19 C11_19 1.377(8) . ?
C10_19 C13_19 1.465(8) . ?
C11_19 C12_19 1.385(8) . ?
C11_19 H11_19 0.9500 . ?
C12_19 H12_19 0.9500 . ?
C13_19 O1_19 1.242(7) . ?
C13_19 O2_19 1.311(6) . ?
C14_19 C15_19 1.361(8) . ?
C14_19 C19_19 1.413(8) . ?
C15_19 C16_19 1.393(8) . ?
C15_19 H15_19 0.9500 . ?
C16_19 C17_19 1.397(8) . ?
C16_19 H16_19 0.9500 . ?
C17_19 C18_19 1.350(8) . ?
C17_19 C20_19 1.472(8) . ?
C18_19 C19_19 1.382(8) . ?
C18_19 H18_19 0.9500 . ?
C19_19 H19_19 0.9500 . ?
C20_19 O3_19 1.251(7) . ?
C20_19 O4_19 1.301(7) . ?
C21_19 C26_19 1.367(8) . ?
C21_19 C22_19 1.381(8) . ?
C22_19 C23_19 1.400(8) . ?
C22_19 H22_19 0.9500 . ?
C23_19 C24_19 1.385(8) . ?
C23_19 H23_19 0.9500 . ?
C24_19 C25_19 1.400(8) . ?
C24_19 C27_19 1.477(8) . ?
C25_19 C26_19 1.405(7) . ?
C25_19 H25_19 0.9500 . ?
C26_19 H26_19 0.9500 . ?
C27_19 O5_19 1.234(8) . ?
C27_19 O6_19 1.300(7) . ?
O2_19 H2A_19 0.8400 . ?
O3_19 H3A_19 0.8400 . ?
O6_19 H6A_19 0.8400 . ?
C1_20 C6_20 1.395(8) . ?
C1_20 C2_20 1.417(7) . ?
C1_20 C7_20 1.515(8) . ?
C2_20 C3_20 1.349(8) . ?
C2_20 H2_20 0.9500 . ?
C3_20 C4_20 1.374(8) . ?
C3_20 C14_20 1.514(7) . ?
C4_20 C5_20 1.388(7) . ?
C4_20 H4_20 0.9500 . ?
C5_20 C6_20 1.380(8) . ?
C5_20 C21_20 1.489(8) . ?
C6_20 H6_20 0.9500 . ?
C7_20 C12_20 1.355(8) . ?
C7_20 C8_20 1.379(8) . ?
C8_20 C9_20 1.391(8) . ?
C8_20 H8_20 0.9500 . ?
C9_20 C10_20 1.396(8) . ?
C9_20 H9_20 0.9500 . ?
C10_20 C11_20 1.351(8) . ?
C10_20 C13_20 1.456(9) . ?
C11_20 C12_20 1.412(8) . ?
C11_20 H11_20 0.9500 . ?
C12_20 H12_20 0.9500 . ?
C13_20 O1_20 1.256(7) . ?
C13_20 O2_20 1.299(7) . ?
C14_20 C15_20 1.360(8) . ?
C14_20 C19_20 1.445(8) . ?
C15_20 C16_20 1.395(7) . ?
C15_20 H15_20 0.9500 . ?
C16_20 C17_20 1.396(8) . ?
C16_20 H16_20 0.9500 . ?
C17_20 C18_20 1.387(8) . ?
C17_20 C20_20 1.500(8) . ?
C18_20 C19_20 1.384(8) . ?
C18_20 H18_20 0.9500 . ?
C19_20 H19_20 0.9500 . ?
C20_20 O3_20 1.260(7) . ?
C20_20 O4_20 1.265(7) . ?
C21_20 C26_20 1.375(8) . ?
C21_20 C22_20 1.413(8) . ?
C22_20 C23_20 1.353(8) . ?
C22_20 H22_20 0.9500 . ?
C23_20 C24_20 1.407(8) . ?
C23_20 H23_20 0.9500 . ?
C24_20 C25_20 1.409(8) . ?
C24_20 C27_20 1.443(8) . ?
C25_20 C26_20 1.376(8) . ?
C25_20 H25_20 0.9500 . ?
C26_20 H26_20 0.9500 . ?
C27_20 O5_20 1.240(8) . ?
C27_20 O6_20 1.305(8) . ?
O1_20 H1A_20 0.8400 . ?
O2_20 H2A_20 0.8400 . ?
O3_20 H3A_20 0.8400 . ?
O6_20 H6A_20 0.8400 . ?
C1_21 C6_21 1.377(8) . ?
C1_21 C2_21 1.397(7) . ?
C1_21 C7_21 1.511(8) . ?
C2_21 C3_21 1.360(8) . ?
C2_21 H2_21 0.9500 . ?
C3_21 C4_21 1.395(8) . ?
C3_21 C14_21 1.532(7) . ?
C4_21 C5_21 1.399(8) . ?
C4_21 H4_21 0.9500 . ?
C5_21 C6_21 1.390(8) . ?
C5_21 C21_21 1.477(8) . ?
C6_21 H6_21 0.9500 . ?
C7_21 C12_21 1.375(8) . ?
C7_21 C8_21 1.391(8) . ?
C8_21 C9_21 1.394(8) . ?
C8_21 H8_21 0.9500 . ?
C9_21 C10_21 1.423(8) . ?
C9_21 H9_21 0.9500 . ?
C10_21 C11_21 1.363(8) . ?
C10_21 C13_21 1.466(9) . ?
C11_21 C12_21 1.417(8) . ?
C11_21 H11_21 0.9500 . ?
C12_21 H12_21 0.9500 . ?
C13_21 O2_21 1.244(7) . ?
C13_21 O1_21 1.298(8) . ?
C14_21 C15_21 1.382(8) . ?
C14_21 C19_21 1.383(8) . ?
C15_21 C16_21 1.400(8) . ?
C15_21 H15_21 0.9500 . ?
C16_21 C17_21 1.410(8) . ?
C16_21 H16_21 0.9500 . ?
C17_21 C18_21 1.348(8) . ?
C17_21 C20_21 1.480(8) . ?
C18_21 C19_21 1.400(7) . ?
C18_21 H18_21 0.9500 . ?
C19_21 H19_21 0.9500 . ?
C20_21 O4_21 1.269(7) . ?
C20_21 O3_21 1.278(7) . ?
C21_21 C22_21 1.413(8) . ?
C21_21 C26_21 1.426(8) . ?
C22_21 C23_21 1.343(8) . ?
C22_21 H22_21 0.9500 . ?
C23_21 C24_21 1.433(8) . ?
C23_21 H23_21 0.9500 . ?
C24_21 C25_21 1.410(8) . ?
C24_21 C27_21 1.461(8) . ?
C25_21 C26_21 1.366(8) . ?
C25_21 H25_21 0.9500 . ?
C26_21 H26_21 0.9500 . ?
C27_21 O5_21 1.262(8) . ?
C27_21 O6_21 1.277(8) . ?
O2_21 H2A_21 0.8400 . ?
O3_21 H3A_21 0.8400 . ?
O6_21 H6A_21 0.8400 . ?
C1_22 C2_22 1.387(7) . ?
C1_22 C6_22 1.390(8) . ?
C1_22 C7_22 1.505(8) . ?
C2_22 C3_22 1.379(8) . ?
C2_22 H2_22 0.9500 . ?
C3_22 C4_22 1.392(8) . ?
C3_22 C14_22 1.516(8) . ?
C4_22 C5_22 1.368(8) . ?
C4_22 H4_22 0.9500 . ?
C5_22 C6_22 1.388(8) . ?
C5_22 C21_22 1.462(8) . ?
C6_22 H6_22 0.9500 . ?
C7_22 C8_22 1.390(8) . ?
C7_22 C12_22 1.416(8) . ?
C8_22 C9_22 1.391(8) . ?
C8_22 H8_22 0.9500 . ?
C9_22 C10_22 1.418(8) . ?
C9_22 H9_22 0.9500 . ?
C10_22 C11_22 1.412(8) . ?
C10_22 C13_22 1.446(9) . ?
C11_22 C12_22 1.342(8) . ?
C11_22 H11_22 0.9500 . ?
C12_22 H12_22 0.9500 . ?
C13_22 O2_22 1.260(7) . ?
C13_22 O1_22 1.308(7) . ?
C14_22 C19_22 1.392(9) . ?
C14_22 C15_22 1.395(8) . ?
C15_22 C16_22 1.386(7) . ?
C15_22 H15_22 0.9500 . ?
C16_22 C17_22 1.405(9) . ?
C16_22 H16_22 0.9500 . ?
C17_22 C18_22 1.359(9) . ?
C17_22 C20_22 1.517(9) . ?
C18_22 C19_22 1.368(9) . ?
C18_22 H18_22 0.9500 . ?
C19_22 H19_22 0.9500 . ?
C20_22 O4_22 1.214(7) . ?
C20_22 O3_22 1.284(8) . ?
C21_22 C26_22 1.391(8) . ?
C21_22 C22_22 1.413(7) . ?
C22_22 C23_22 1.359(8) . ?
C22_22 H22_22 0.9500 . ?
C23_22 C24_22 1.386(8) . ?
C23_22 H23_22 0.9500 . ?
C24_22 C25_22 1.394(8) . ?
C24_22 C27_22 1.474(9) . ?
C25_22 C26_22 1.401(8) . ?
C25_22 H25_22 0.9500 . ?
C26_22 H26_22 0.9500 . ?
C27_22 O5_22 1.264(7) . ?
C27_22 O6_22 1.291(7) . ?
O1_22 H1A_22 0.8400 . ?
O3_22 H3A_22 0.8400 . ?
O6_22 H6A_22 0.8400 . ?
C1_23 C2_23 1.372(8) . ?
C1_23 C6_23 1.418(7) . ?
C1_23 C7_23 1.473(8) . ?
C2_23 C3_23 1.406(8) . ?
C2_23 H2_23 0.9500 . ?
C3_23 C4_23 1.378(8) . ?
C3_23 C14_23 1.488(8) . ?
C4_23 C5_23 1.406(8) . ?
C4_23 H4_23 0.9500 . ?
C5_23 C6_23 1.377(8) . ?
C5_23 C21_23 1.492(8) . ?
C6_23 H6_23 0.9500 . ?
C7_23 C12_23 1.386(8) . ?
C7_23 C8_23 1.403(8) . ?
C8_23 C9_23 1.397(8) . ?
C8_23 H8_23 0.9500 . ?
C9_23 C10_23 1.376(8) . ?
C9_23 H9_23 0.9500 . ?
C10_23 C11_23 1.363(8) . ?
C10_23 C13_23 1.477(8) . ?
C11_23 C12_23 1.381(8) . ?
C11_23 H11_23 0.9500 . ?
C12_23 H12_23 0.9500 . ?
C13_23 O1_23 1.254(6) . ?
C13_23 O2_23 1.308(6) . ?
C14_23 C19_23 1.391(8) . ?
C14_23 C15_23 1.400(8) . ?
C15_23 C16_23 1.430(8) . ?
C15_23 H15_23 0.9500 . ?
C16_23 C17_23 1.367(9) . ?
C16_23 H16_23 0.9500 . ?
C17_23 C18_23 1.378(8) . ?
C17_23 C20_23 1.520(9) . ?
C18_23 C19_23 1.392(8) . ?
C18_23 H18_23 0.9500 . ?
C19_23 H19_23 0.9500 . ?
C20_23 O4_23 1.243(8) . ?
C20_23 O3_23 1.285(8) . ?
C21_23 C22_23 1.352(8) . ?
C21_23 C26_23 1.392(8) . ?
C22_23 C23_23 1.359(8) . ?
C22_23 H22_23 0.9500 . ?
C23_23 C24_23 1.414(8) . ?
C23_23 H23_23 0.9500 . ?
C24_23 C25_23 1.406(9) . ?
C24_23 C27_23 1.470(8) . ?
C25_23 C26_23 1.404(8) . ?
C25_23 H25_23 0.9500 . ?
C26_23 H26_23 0.9500 . ?
C27_23 O5_23 1.235(8) . ?
C27_23 O6_23 1.308(8) . ?
O2_23 H2A_23 0.8400 . ?
O3_23 H3A_23 0.8400 . ?
O6_23 H6A_23 0.8400 . ?
C1_24 C2_24 1.391(8) . ?
C1_24 C6_24 1.418(8) . ?
C1_24 C7_24 1.464(8) . ?
C2_24 C3_24 1.427(8) . ?
C2_24 H2_24 0.9500 . ?
C3_24 C4_24 1.382(7) . ?
C3_24 C14_24 1.490(8) . ?
C4_24 C5_24 1.383(8) . ?
C4_24 H4_24 0.9500 . ?
C5_24 C6_24 1.404(8) . ?
C5_24 C21_24 1.482(8) . ?
C6_24 H6_24 0.9500 . ?
C7_24 C8_24 1.404(8) . ?
C7_24 C12_24 1.422(8) . ?
C8_24 C9_24 1.398(8) . ?
C8_24 H8_24 0.9500 . ?
C9_24 C10_24 1.362(8) . ?
C9_24 H9_24 0.9500 . ?
C10_24 C11_24 1.443(9) . ?
C10_24 C13_24 1.460(9) . ?
C11_24 C12_24 1.334(8) . ?
C11_24 H11_24 0.9500 . ?
C12_24 H12_24 0.9500 . ?
C13_24 O2_24 1.281(8) . ?
C13_24 O1_24 1.305(8) . ?
C14_24 C15_24 1.403(8) . ?
C14_24 C19_24 1.436(8) . ?
C15_24 C16_24 1.372(8) . ?
C15_24 H15_24 0.9500 . ?
C16_24 C17_24 1.407(8) . ?
C16_24 H16_24 0.9500 . ?
C17_24 C18_24 1.389(8) . ?
C17_24 C20_24 1.482(9) . ?
C18_24 C19_24 1.382(8) . ?
C18_24 H18_24 0.9500 . ?
C19_24 H19_24 0.9500 . ?
C20_24 O3_24 1.228(8) . ?
C20_24 O4_24 1.257(8) . ?
C21_24 C26_24 1.366(8) . ?
C21_24 C22_24 1.418(8) . ?
C22_24 C23_24 1.353(7) . ?
C22_24 H22_24 0.9500 . ?
C23_24 C24_24 1.413(8) . ?
C23_24 H23_24 0.9500 . ?
C24_24 C25_24 1.392(8) . ?
C24_24 C27_24 1.514(8) . ?
C25_24 C26_24 1.402(8) . ?
C25_24 H25_24 0.9500 . ?
C26_24 H26_24 0.9500 . ?
C27_24 O5_24 1.207(7) . ?
C27_24 O6_24 1.320(7) . ?
O2_24 H2A_24 0.8400 . ?
O3_24 H3A_24 0.8400 . ?
O6_24 H6A_24 0.8400 . ?
C1_25 C6_25 1.362(7) . ?
C1_25 C2_25 1.418(8) . ?
C1_25 C7_25 1.488(8) . ?
C2_25 C3_25 1.320(8) . ?
C2_25 H2_25 0.9500 . ?
C3_25 C4_25 1.390(8) . ?
C3_25 C14_25 1.487(8) . ?
C4_25 C5_25 1.420(8) . ?
C4_25 H4_25 0.9500 . ?
C5_25 C6_25 1.367(8) . ?
C5_25 C21_25 1.495(7) . ?
C6_25 H6_25 0.9500 . ?
C7_25 C12_25 1.372(8) . ?
C7_25 C8_25 1.404(8) . ?
C8_25 C9_25 1.406(9) . ?
C8_25 H8_25 0.9500 . ?
C9_25 C10_25 1.366(9) . ?
C9_25 H9_25 0.9500 . ?
C10_25 C11_25 1.395(8) . ?
C10_25 C13_25 1.467(9) . ?
C11_25 C12_25 1.372(8) . ?
C11_25 H11_25 0.9500 . ?
C12_25 H12_25 0.9500 . ?
C13_25 O2_25 1.268(8) . ?
C13_25 O1_25 1.308(8) . ?
C14_25 C19_25 1.395(8) . ?
C14_25 C15_25 1.410(8) . ?
C15_25 C16_25 1.383(8) . ?
C15_25 H15_25 0.9500 . ?
C16_25 C17_25 1.440(8) . ?
C16_25 H16_25 0.9500 . ?
C17_25 C18_25 1.331(8) . ?
C17_25 C20_25 1.505(8) . ?
C18_25 C19_25 1.411(8) . ?
C18_25 H18_25 0.9500 . ?
C19_25 H19_25 0.9500 . ?
C20_25 O4_25 1.239(8) . ?
C20_25 O3_25 1.333(8) . ?
C21_25 C26_25 1.373(8) . ?
C21_25 C22_25 1.418(7) . ?
C22_25 C23_25 1.382(7) . ?
C22_25 H22_25 0.9500 . ?
C23_25 C24_25 1.395(8) . ?
C23_25 H23_25 0.9500 . ?
C24_25 C25_25 1.377(8) . ?
C24_25 C27_25 1.488(8) . ?
C25_25 C26_25 1.385(7) . ?
C25_25 H25_25 0.9500 . ?
C26_25 H26_25 0.9500 . ?
C27_25 O6_25 1.242(8) . ?
C27_25 O5_25 1.253(7) . ?
O2_25 H2A_25 0.8400 . ?
O3_25 H3A_25 0.8400 . ?
O6_25 H6A_25 0.8400 . ?
C1_26 C6_26 1.366(8) . ?
C1_26 C2_26 1.397(8) . ?
C1_26 C7_26 1.491(8) . ?
C2_26 C3_26 1.457(9) . ?
C2_26 H2_26 0.9500 . ?
C3_26 C4_26 1.406(8) . ?
C3_26 C14_26 1.472(8) . ?
C4_26 C5_26 1.393(7) . ?
C4_26 H4_26 0.9500 . ?
C5_26 C6_26 1.446(8) . ?
C5_26 C21_26 1.461(8) . ?
C6_26 H6_26 0.9500 . ?
C7_26 C12_26 1.383(8) . ?
C7_26 C8_26 1.400(8) . ?
C8_26 C9_26 1.400(8) . ?
C8_26 H8_26 0.9500 . ?
C9_26 C10_26 1.331(8) . ?
C9_26 H9_26 0.9500 . ?
C10_26 C11_26 1.377(9) . ?
C10_26 C13_26 1.510(9) . ?
C11_26 C12_26 1.380(8) . ?
C11_26 H11_26 0.9500 . ?
C12_26 H12_26 0.9500 . ?
C13_26 O2_26 1.283(7) . ?
C13_26 O1_26 1.296(8) . ?
C14_26 C19_26 1.414(8) . ?
C14_26 C15_26 1.425(8) . ?
C15_26 C16_26 1.385(8) . ?
C15_26 H15_26 0.9500 . ?
C16_26 C17_26 1.353(9) . ?
C16_26 H16_26 0.9500 . ?
C17_26 C18_26 1.396(9) . ?
C17_26 C20_26 1.467(9) . ?
C18_26 C19_26 1.384(8) . ?
C18_26 H18_26 0.9500 . ?
C19_26 H19_26 0.9500 . ?
C20_26 O3_26 1.246(8) . ?
C20_26 O4_26 1.302(8) . ?
C21_26 C26_26 1.370(8) . ?
C21_26 C22_26 1.413(8) . ?
C22_26 C23_26 1.425(8) . ?
C22_26 H22_26 0.9500 . ?
C23_26 C24_26 1.410(9) . ?
C23_26 H23_26 0.9500 . ?
C24_26 C25_26 1.381(8) . ?
C24_26 C27_26 1.448(8) . ?
C25_26 C26_26 1.436(8) . ?
C25_26 H25_26 0.9500 . ?
C26_26 H26_26 0.9500 . ?
C27_26 O6_26 1.268(7) . ?
C27_26 O5_26 1.320(8) . ?
O2_26 H2A_26 0.8400 . ?
O3_26 H3A_26 0.8400 . ?
O6_26 H6A_26 0.8400 . ?
C1_27 C2_27 1.367(8) . ?
C1_27 C6_27 1.383(8) . ?
C1_27 C7_27 1.534(9) . ?
C2_27 C3_27 1.385(8) . ?
C2_27 H2_27 0.9500 . ?
C3_27 C4_27 1.379(8) . ?
C3_27 C14_27 1.484(8) . ?
C4_27 C5_27 1.397(8) . ?
C4_27 H4_27 0.9500 . ?
C5_27 C6_27 1.392(8) . ?
C5_27 C21_27 1.467(8) . ?
C6_27 H6_27 0.9500 . ?
C7_27 C8_27 1.354(8) . ?
C7_27 C12_27 1.402(8) . ?
C8_27 C9_27 1.407(8) . ?
C8_27 H8_27 0.9500 . ?
C9_27 C10_27 1.424(8) . ?
C9_27 H9_27 0.9500 . ?
C10_27 C11_27 1.390(8) . ?
C10_27 C13_27 1.510(9) . ?
C11_27 C12_27 1.368(8) . ?
C11_27 H11_27 0.9500 . ?
C12_27 H12_27 0.9500 . ?
C13_27 O1_27 1.204(7) . ?
C13_27 O2_27 1.332(7) . ?
C14_27 C15_27 1.337(8) . ?
C14_27 C19_27 1.405(8) . ?
C15_27 C16_27 1.430(8) . ?
C15_27 H15_27 0.9500 . ?
C16_27 C17_27 1.397(9) . ?
C16_27 H16_27 0.9500 . ?
C17_27 C18_27 1.380(9) . ?
C17_27 C20_27 1.445(9) . ?
C18_27 C19_27 1.348(8) . ?
C18_27 H18_27 0.9500 . ?
C19_27 H19_27 0.9500 . ?
C20_27 O3_27 1.272(8) . ?
C20_27 O4_27 1.297(9) . ?
C21_27 C26_27 1.395(8) . ?
C21_27 C22_27 1.418(8) . ?
C22_27 C23_27 1.364(8) . ?
C22_27 H22_27 0.9500 . ?
C23_27 C24_27 1.393(9) . ?
C23_27 H23_27 0.9500 . ?
C24_27 C25_27 1.372(9) . ?
C24_27 C27_27 1.427(9) . ?
C25_27 C26_27 1.318(8) . ?
C25_27 H25_27 0.9500 . ?
C26_27 H26_27 0.9500 . ?
C27_27 O5_27 1.223(8) . ?
C27_27 O6_27 1.389(9) . ?
O2_27 H2A_27 0.8400 . ?
O3_27 H3A_27 0.8400 . ?
O6_27 H6A_27 0.8400 . ?
C1_28 C2_28 1.370(7) . ?
C1_28 C6_28 1.407(7) . ?
C1_28 C7_28 1.486(8) . ?
C2_28 C3_28 1.421(8) . ?
C2_28 H2_28 0.9500 . ?
C3_28 C4_28 1.396(8) . ?
C3_28 C14_28 1.475(8) . ?
C4_28 C5_28 1.397(7) . ?
C4_28 H4_28 0.9500 . ?
C5_28 C6_28 1.383(8) . ?
C5_28 C21_28 1.478(7) . ?
C6_28 H6_28 0.9500 . ?
C7_28 C12_28 1.392(8) . ?
C7_28 C8_28 1.418(8) . ?
C8_28 C9_28 1.404(8) . ?
C8_28 H8_28 0.9500 . ?
C9_28 C10_28 1.405(8) . ?
C9_28 H9_28 0.9500 . ?
C10_28 C11_28 1.366(8) . ?
C10_28 C13_28 1.481(9) . ?
C11_28 C12_28 1.380(8) . ?
C11_28 H11_28 0.9500 . ?
C12_28 H12_28 0.9500 . ?
C13_28 O2_28 1.249(7) . ?
C13_28 O1_28 1.264(7) . ?
C14_28 C15_28 1.331(8) . ?
C14_28 C19_28 1.402(8) . ?
C15_28 C16_28 1.382(8) . ?
C15_28 H15_28 0.9500 . ?
C16_28 C17_28 1.347(8) . ?
C16_28 H16_28 0.9500 . ?
C17_28 C18_28 1.440(8) . ?
C17_28 C20_28 1.468(8) . ?
C18_28 C19_28 1.349(8) . ?
C18_28 H18_28 0.9500 . ?
C19_28 H19_28 0.9500 . ?
C20_28 O4_28 1.259(8) . ?
C20_28 O3_28 1.287(8) . ?
C21_28 C22_28 1.392(8) . ?
C21_28 C26_28 1.415(8) . ?
C22_28 C23_28 1.412(8) . ?
C22_28 H22_28 0.9500 . ?
C23_28 C24_28 1.357(8) . ?
C23_28 H23_28 0.9500 . ?
C24_28 C25_28 1.343(8) . ?
C24_28 C27_28 1.456(8) . ?
C25_28 C26_28 1.373(8) . ?
C25_28 H25_28 0.9500 . ?
C26_28 H26_28 0.9500 . ?
C27_28 O5_28 1.252(7) . ?
C27_28 O6_28 1.311(8) . ?
O2_28 H2A_28 0.8400 . ?
O3_28 H3A_28 0.8400 . ?
O6_28 H6A_28 0.8400 . ?
C1_29 C6_29 1.362(8) . ?
C1_29 C2_29 1.389(7) . ?
C1_29 C7_29 1.484(8) . ?
C2_29 C3_29 1.369(8) . ?
C2_29 H2_29 0.9500 . ?
C3_29 C4_29 1.389(7) . ?
C3_29 C14_29 1.513(7) . ?
C4_29 C5_29 1.418(7) . ?
C4_29 H4_29 0.9500 . ?
C5_29 C6_29 1.411(8) . ?
C5_29 C21_29 1.520(8) . ?
C6_29 H6_29 0.9500 . ?
C7_29 C8_29 1.382(8) . ?
C7_29 C12_29 1.450(8) . ?
C8_29 C9_29 1.359(8) . ?
C8_29 H8_29 0.9500 . ?
C9_29 C10_29 1.405(8) . ?
C9_29 H9_29 0.9500 . ?
C10_29 C11_29 1.386(8) . ?
C10_29 C13_29 1.412(9) . ?
C11_29 C12_29 1.410(8) . ?
C11_29 H11_29 0.9500 . ?
C12_29 H12_29 0.9500 . ?
C13_29 O2_29 1.248(7) . ?
C13_29 O1_29 1.274(7) . ?
C14_29 C15_29 1.365(8) . ?
C14_29 C19_29 1.412(8) . ?
C15_29 C16_29 1.402(7) . ?
C15_29 H15_29 0.9500 . ?
C16_29 C17_29 1.388(8) . ?
C16_29 H16_29 0.9500 . ?
C17_29 C18_29 1.377(8) . ?
C17_29 C20_29 1.509(8) . ?
C18_29 C19_29 1.414(7) . ?
C18_29 H18_29 0.9500 . ?
C19_29 H19_29 0.9500 . ?
C20_29 O3_29 1.241(7) . ?
C20_29 O4_29 1.261(8) . ?
C21_29 C22_29 1.347(8) . ?
C21_29 C26_29 1.392(8) . ?
C22_29 C23_29 1.411(8) . ?
C22_29 H22_29 0.9500 . ?
C23_29 C24_29 1.381(8) . ?
C23_29 H23_29 0.9500 . ?
C24_29 C25_29 1.394(8) . ?
C24_29 C27_29 1.481(8) . ?
C25_29 C26_29 1.403(8) . ?
C25_29 H25_29 0.9500 . ?
C26_29 H26_29 0.9500 . ?
C27_29 O5_29 1.286(8) . ?
C27_29 O6_29 1.294(8) . ?
O1_29 H1A_29 0.8400 . ?
O3_29 H3A_29 0.8400 . ?
O6_29 H6A_29 0.8400 . ?
C1_30 C6_30 1.354(7) . ?
C1_30 C2_30 1.398(8) . ?
C1_30 C7_30 1.503(9) . ?
C2_30 C3_30 1.343(7) . ?
C2_30 H2_30 0.9500 . ?
C3_30 C4_30 1.421(7) . ?
C3_30 C14_30 1.507(7) . ?
C4_30 C5_30 1.363(8) . ?
C4_30 H4_30 0.9500 . ?
C5_30 C6_30 1.396(8) . ?
C5_30 C21_30 1.538(7) . ?
C6_30 H6_30 0.9500 . ?
C7_30 C12_30 1.325(8) . ?
C7_30 C8_30 1.427(8) . ?
C8_30 C9_30 1.353(8) . ?
C8_30 H8_30 0.9500 . ?
C9_30 C10_30 1.385(8) . ?
C9_30 H9_30 0.9500 . ?
C10_30 C11_30 1.328(8) . ?
C10_30 C13_30 1.531(9) . ?
C11_30 C12_30 1.430(9) . ?
C11_30 H11_30 0.9500 . ?
C12_30 H12_30 0.9500 . ?
C13_30 O1_30 1.225(7) . ?
C13_30 O2_30 1.319(7) . ?
C14_30 C19_30 1.402(8) . ?
C14_30 C15_30 1.417(8) . ?
C15_30 C16_30 1.366(7) . ?
C15_30 H15_30 0.9500 . ?
C16_30 C17_30 1.425(7) . ?
C16_30 H16_30 0.9500 . ?
C17_30 C18_30 1.419(8) . ?
C17_30 C20_30 1.450(8) . ?
C18_30 C19_30 1.348(8) . ?
C18_30 H18_30 0.9500 . ?
C19_30 H19_30 0.9500 . ?
C20_30 O4_30 1.267(7) . ?
C20_30 O3_30 1.280(7) . ?
C21_30 C22_30 1.326(7) . ?
C21_30 C26_30 1.381(8) . ?
C22_30 C23_30 1.397(7) . ?
C22_30 H22_30 0.9500 . ?
C23_30 C24_30 1.445(8) . ?
C23_30 H23_30 0.9500 . ?
C24_30 C25_30 1.355(8) . ?
C24_30 C27_30 1.428(8) . ?
C25_30 C26_30 1.421(8) . ?
C25_30 H25_30 0.9500 . ?
C26_30 H26_30 0.9500 . ?
C27_30 O5_30 1.234(7) . ?
C27_30 O6_30 1.293(7) . ?
O2_30 H2A_30 0.8400 . ?
O3_30 H3A_30 0.8400 . ?
O6_30 H6A_30 0.8400 . ?
C1_31 C6_31 1.393(7) . ?
C1_31 C2_31 1.403(7) . ?
C1_31 C7_31 1.456(8) . ?
C2_31 C3_31 1.379(8) . ?
C2_31 H2_31 0.9500 . ?
C3_31 C4_31 1.392(7) . ?
C3_31 C14_31 1.505(7) . ?
C4_31 C5_31 1.380(7) . ?
C4_31 H4_31 0.9500 . ?
C5_31 C6_31 1.387(8) . ?
C5_31 C21_31 1.499(7) . ?
C6_31 H6_31 0.9500 . ?
C7_31 C12_31 1.390(8) . ?
C7_31 C8_31 1.396(7) . ?
C8_31 C9_31 1.420(8) . ?
C8_31 H8_31 0.9500 . ?
C9_31 C10_31 1.383(8) . ?
C9_31 H9_31 0.9500 . ?
C10_31 C11_31 1.398(8) . ?
C10_31 C13_31 1.488(9) . ?
C11_31 C12_31 1.432(8) . ?
C11_31 H11_31 0.9500 . ?
C12_31 H12_31 0.9500 . ?
C13_31 O1_31 1.242(7) . ?
C13_31 O2_31 1.286(7) . ?
C14_31 C15_31 1.398(8) . ?
C14_31 C19_31 1.415(7) . ?
C15_31 C16_31 1.404(7) . ?
C15_31 H15_31 0.9500 . ?
C16_31 C17_31 1.415(8) . ?
C16_31 H16_31 0.9500 . ?
C17_31 C18_31 1.362(8) . ?
C17_31 C20_31 1.477(8) . ?
C18_31 C19_31 1.377(7) . ?
C18_31 H18_31 0.9500 . ?
C19_31 H19_31 0.9500 . ?
C20_31 O4_31 1.274(7) . ?
C20_31 O3_31 1.309(7) . ?
C21_31 C22_31 1.371(7) . ?
C21_31 C26_31 1.379(8) . ?
C22_31 C23_31 1.424(8) . ?
C22_31 H22_31 0.9500 . ?
C23_31 C24_31 1.370(8) . ?
C23_31 H23_31 0.9500 . ?
C24_31 C25_31 1.347(8) . ?
C24_31 C27_31 1.501(7) . ?
C25_31 C26_31 1.397(7) . ?
C25_31 H25_31 0.9500 . ?
C26_31 H26_31 0.9500 . ?
C27_31 O5_31 1.269(7) . ?
C27_31 O6_31 1.274(7) . ?
O2_31 H2A_31 0.8400 . ?
O3_31 H3A_31 0.8400 . ?
O6_31 H6A_31 0.8400 . ?
C1_32 C6_32 1.389(7) . ?
C1_32 C2_32 1.417(7) . ?
C1_32 C7_32 1.460(8) . ?
C2_32 C3_32 1.431(8) . ?
C2_32 H2_32 0.9500 . ?
C3_32 C4_32 1.389(7) . ?
C3_32 C14_32 1.446(8) . ?
C4_32 C5_32 1.391(7) . ?
C4_32 H4_32 0.9500 . ?
C5_32 C6_32 1.397(8) . ?
C5_32 C21_32 1.463(8) . ?
C6_32 H6_32 0.9500 . ?
C7_32 C12_32 1.394(7) . ?
C7_32 C8_32 1.424(7) . ?
C8_32 C9_32 1.341(8) . ?
C8_32 H8_32 0.9500 . ?
C9_32 C10_32 1.400(8) . ?
C9_32 H9_32 0.9500 . ?
C10_32 C11_32 1.355(8) . ?
C10_32 C13_32 1.494(9) . ?
C11_32 C12_32 1.400(8) . ?
C11_32 H11_32 0.9500 . ?
C12_32 H12_32 0.9500 . ?
C13_32 O1_32 1.249(7) . ?
C13_32 O2_32 1.303(7) . ?
C14_32 C15_32 1.372(7) . ?
C14_32 C19_32 1.459(8) . ?
C15_32 C16_32 1.399(7) . ?
C15_32 H15_32 0.9500 . ?
C16_32 C17_32 1.400(8) . ?
C16_32 H16_32 0.9500 . ?
C17_32 C18_32 1.391(8) . ?
C17_32 C20_32 1.500(8) . ?
C18_32 C19_32 1.394(7) . ?
C18_32 H18_32 0.9500 . ?
C19_32 H19_32 0.9500 . ?
C20_32 O4_32 1.209(7) . ?
C20_32 O3_32 1.288(8) . ?
C21_32 C26_32 1.390(8) . ?
C21_32 C22_32 1.408(7) . ?
C22_32 C23_32 1.419(7) . ?
C22_32 H22_32 0.9500 . ?
C23_32 C24_32 1.345(8) . ?
C23_32 H23_32 0.9500 . ?
C24_32 C25_32 1.405(8) . ?
C24_32 C27_32 1.479(8) . ?
C25_32 C26_32 1.398(8) . ?
C25_32 H25_32 0.9500 . ?
C26_32 H26_32 0.9500 . ?
C27_32 O5_32 1.275(7) . ?
C27_32 O6_32 1.319(7) . ?
O2_32 H2A_32 0.8400 . ?
O3_32 H3A_32 0.8400 . ?
O6_32 H6A_32 0.8400 . ?
C1_33 C6_33 1.376(8) . ?
C1_33 C2_33 1.384(8) . ?
C1_33 C7_33 1.488(9) . ?
C2_33 C3_33 1.394(9) . ?
C2_33 H2_33 0.9500 . ?
C3_33 C4_33 1.396(8) . ?
C3_33 C14_33 1.471(8) . ?
C4_33 C5_33 1.348(8) . ?
C4_33 H4_33 0.9500 . ?
C5_33 C6_33 1.418(9) . ?
C5_33 C21_33 1.493(8) . ?
C6_33 H6_33 0.9500 . ?
C7_33 C12_33 1.378(8) . ?
C7_33 C8_33 1.419(8) . ?
C8_33 C9_33 1.419(8) . ?
C8_33 H8_33 0.9500 . ?
C9_33 C10_33 1.335(8) . ?
C9_33 H9_33 0.9500 . ?
C10_33 C13_33 1.445(9) . ?
C10_33 C11_33 1.511(8) . ?
C11_33 C12_33 1.336(9) . ?
C11_33 H11_33 0.9500 . ?
C12_33 H12_33 0.9500 . ?
C13_33 O2_33 1.242(8) . ?
C13_33 O1_33 1.338(7) . ?
C14_33 C19_33 1.368(8) . ?
C14_33 C15_33 1.424(8) . ?
C15_33 C16_33 1.391(8) . ?
C15_33 H15_33 0.9500 . ?
C16_33 C17_33 1.379(8) . ?
C16_33 H16_33 0.9500 . ?
C17_33 C18_33 1.371(9) . ?
C17_33 C20_33 1.490(8) . ?
C18_33 C19_33 1.397(8) . ?
C18_33 H18_33 0.9500 . ?
C19_33 H19_33 0.9500 . ?
C20_33 O4_33 1.268(8) . ?
C20_33 O3_33 1.295(8) . ?
C21_33 C22_33 1.359(8) . ?
C21_33 C26_33 1.404(8) . ?
C22_33 C23_33 1.402(8) . ?
C22_33 H22_33 0.9500 . ?
C23_33 C24_33 1.343(8) . ?
C23_33 H23_33 0.9500 . ?
C24_33 C25_33 1.348(8) . ?
C24_33 C27_33 1.445(8) . ?
C25_33 C26_33 1.361(8) . ?
C25_33 H25_33 0.9500 . ?
C26_33 H26_33 0.9500 . ?
C27_33 O5_33 1.275(8) . ?
C27_33 O6_33 1.334(8) . ?
O2_33 H2A_33 0.8400 . ?
O3_33 H3A_33 0.8400 . ?
O6_33 H6A_33 0.8400 . ?
C1_34 C2_34 1.392(8) . ?
C1_34 C6_34 1.415(8) . ?
C1_34 C7_34 1.477(8) . ?
C2_34 C3_34 1.354(8) . ?
C2_34 H2_34 0.9500 . ?
C3_34 C4_34 1.374(8) . ?
C3_34 C14_34 1.511(8) . ?
C4_34 C5_34 1.396(8) . ?
C4_34 H4_34 0.9500 . ?
C5_34 C6_34 1.368(8) . ?
C5_34 C21_34 1.475(8) . ?
C6_34 H6_34 0.9500 . ?
C7_34 C8_34 1.374(8) . ?
C7_34 C12_34 1.397(8) . ?
C8_34 C9_34 1.387(8) . ?
C8_34 H8_34 0.9500 . ?
C9_34 C10_34 1.379(8) . ?
C9_34 H9_34 0.9500 . ?
C10_34 C11_34 1.375(8) . ?
C10_34 C13_34 1.489(9) . ?
C11_34 C12_34 1.392(8) . ?
C11_34 H11_34 0.9500 . ?
C12_34 H12_34 0.9500 . ?
C13_34 O2_34 1.266(7) . ?
C13_34 O1_34 1.287(7) . ?
C14_34 C19_34 1.368(8) . ?
C14_34 C15_34 1.403(8) . ?
C15_34 C16_34 1.415(8) . ?
C15_34 H15_34 0.9500 . ?
C16_34 C17_34 1.367(8) . ?
C16_34 H16_34 0.9500 . ?
C17_34 C18_34 1.369(9) . ?
C17_34 C20_34 1.492(8) . ?
C18_34 C19_34 1.424(8) . ?
C18_34 H18_34 0.9500 . ?
C19_34 H19_34 0.9500 . ?
C20_34 O3_34 1.276(7) . ?
C20_34 O4_34 1.282(8) . ?
C21_34 C26_34 1.360(8) . ?
C21_34 C22_34 1.434(8) . ?
C22_34 C23_34 1.342(7) . ?
C22_34 H22_34 0.9500 . ?
C23_34 C24_34 1.393(8) . ?
C23_34 H23_34 0.9500 . ?
C24_34 C25_34 1.422(8) . ?
C24_34 C27_34 1.485(8) . ?
C25_34 C26_34 1.412(8) . ?
C25_34 H25_34 0.9500 . ?
C26_34 H26_34 0.9500 . ?
C27_34 O5_34 1.265(8) . ?
C27_34 O6_34 1.303(8) . ?
O2_34 H2A_34 0.8400 . ?
O3_34 H3A_34 0.8400 . ?
O6_34 H6A_34 0.8400 . ?
C1_35 C6_35 1.395(7) . ?
C1_35 C2_35 1.425(8) . ?
C1_35 C7_35 1.451(8) . ?
C2_35 C3_35 1.381(8) . ?
C2_35 H2_35 0.9500 . ?
C3_35 C4_35 1.381(8) . ?
C3_35 C14_35 1.463(7) . ?
C4_35 C5_35 1.424(7) . ?
C4_35 H4_35 0.9500 . ?
C5_35 C6_35 1.359(8) . ?
C5_35 C21_35 1.505(8) . ?
C6_35 H6_35 0.9500 . ?
C7_35 C8_35 1.403(7) . ?
C7_35 C12_35 1.409(7) . ?
C8_35 C9_35 1.375(8) . ?
C8_35 H8_35 0.9500 . ?
C9_35 C10_35 1.375(8) . ?
C9_35 H9_35 0.9500 . ?
C10_35 C11_35 1.381(8) . ?
C10_35 C13_35 1.503(8) . ?
C11_35 C12_35 1.400(8) . ?
C11_35 H11_35 0.9500 . ?
C12_35 H12_35 0.9500 . ?
C13_35 O2_35 1.219(6) . ?
C13_35 O1_35 1.301(7) . ?
C14_35 C15_35 1.349(8) . ?
C14_35 C19_35 1.384(8) . ?
C15_35 C16_35 1.396(8) . ?
C15_35 H15_35 0.9500 . ?
C16_35 C17_35 1.413(8) . ?
C16_35 H16_35 0.9500 . ?
C17_35 C18_35 1.375(8) . ?
C17_35 C20_35 1.473(8) . ?
C18_35 C19_35 1.408(8) . ?
C18_35 H18_35 0.9500 . ?
C19_35 H19_35 0.9500 . ?
C20_35 O4_35 1.272(8) . ?
C20_35 O3_35 1.277(8) . ?
C21_35 C22_35 1.374(8) . ?
C21_35 C26_35 1.405(8) . ?
C22_35 C23_35 1.405(8) . ?
C22_35 H22_35 0.9500 . ?
C23_35 C24_35 1.380(8) . ?
C23_35 H23_35 0.9500 . ?
C24_35 C25_35 1.390(8) . ?
C24_35 C27_35 1.500(8) . ?
C25_35 C26_35 1.350(7) . ?
C25_35 H25_35 0.9500 . ?
C26_35 H26_35 0.9500 . ?
C27_35 O6_35 1.254(8) . ?
C27_35 O5_35 1.266(7) . ?
O2_35 H2A_35 0.8400 . ?
O3_35 H3A_35 0.8400 . ?
O6_35 H6A_35 0.8400 . ?
C1_36 C2_36 1.387(7) . ?
C1_36 C6_36 1.416(8) . ?
C1_36 C7_36 1.456(8) . ?
C2_36 C3_36 1.386(8) . ?
C2_36 H2_36 0.9500 . ?
C3_36 C4_36 1.390(8) . ?
C3_36 C14_36 1.491(7) . ?
C4_36 C5_36 1.386(7) . ?
C4_36 H4_36 0.9500 . ?
C5_36 C6_36 1.390(8) . ?
C5_36 C21_36 1.496(8) . ?
C6_36 H6_36 0.9500 . ?
C7_36 C12_36 1.358(8) . ?
C7_36 C8_36 1.424(8) . ?
C8_36 C9_36 1.397(8) . ?
C8_36 H8_36 0.9500 . ?
C9_36 C10_36 1.399(7) . ?
C9_36 H9_36 0.9500 . ?
C10_36 C11_36 1.392(8) . ?
C10_36 C13_36 1.497(8) . ?
C11_36 C12_36 1.399(9) . ?
C11_36 H11_36 0.9500 . ?
C12_36 H12_36 0.9500 . ?
C13_36 O1_36 1.227(7) . ?
C13_36 O2_36 1.276(7) . ?
C14_36 C19_36 1.362(8) . ?
C14_36 C15_36 1.428(8) . ?
C15_36 C16_36 1.372(7) . ?
C15_36 H15_36 0.9500 . ?
C16_36 C17_36 1.398(8) . ?
C16_36 H16_36 0.9500 . ?
C17_36 C18_36 1.375(8) . ?
C17_36 C20_36 1.509(8) . ?
C18_36 C19_36 1.354(8) . ?
C18_36 H18_36 0.9500 . ?
C19_36 H19_36 0.9500 . ?
C20_36 O3_36 1.233(7) . ?
C20_36 O4_36 1.294(7) . ?
C21_36 C26_36 1.388(8) . ?
C21_36 C22_36 1.413(8) . ?
C22_36 C23_36 1.392(8) . ?
C22_36 H22_36 0.9500 . ?
C23_36 C24_36 1.389(9) . ?
C23_36 H23_36 0.9500 . ?
C24_36 C25_36 1.385(8) . ?
C24_36 C27_36 1.485(9) . ?
C25_36 C26_36 1.355(8) . ?
C25_36 H25_36 0.9500 . ?
C26_36 H26_36 0.9500 . ?
C27_36 O5_36 1.255(8) . ?
C27_36 O6_36 1.297(8) . ?
O2_36 H2A_36 0.8400 . ?
O3_36 H3A_36 0.8400 . ?
O6_36 H6A_36 0.8400 . ?
C1_37 C2_37 1.395(7) . ?
C1_37 C6_37 1.411(8) . ?
C1_37 C7_37 1.511(8) . ?
C2_37 C3_37 1.360(8) . ?
C2_37 H2_37 0.9500 . ?
C3_37 C4_37 1.408(8) . ?
C3_37 C14_37 1.528(7) . ?
C4_37 C5_37 1.448(7) . ?
C4_37 H4_37 0.9500 . ?
C5_37 C6_37 1.349(8) . ?
C5_37 C21_37 1.489(7) . ?
C6_37 H6_37 0.9500 . ?
C7_37 C12_37 1.380(8) . ?
C7_37 C8_37 1.412(8) . ?
C8_37 C9_37 1.364(8) . ?
C8_37 H8_37 0.9500 . ?
C9_37 C10_37 1.400(8) . ?
C9_37 H9_37 0.9500 . ?
C10_37 C11_37 1.387(8) . ?
C10_37 C13_37 1.489(8) . ?
C11_37 C12_37 1.383(8) . ?
C11_37 H11_37 0.9500 . ?
C12_37 H12_37 0.9500 . ?
C13_37 O1_37 1.228(7) . ?
C13_37 O2_37 1.284(7) . ?
C14_37 C15_37 1.380(8) . ?
C14_37 C19_37 1.412(8) . ?
C15_37 C16_37 1.355(7) . ?
C15_37 H15_37 0.9500 . ?
C16_37 C17_37 1.370(8) . ?
C16_37 H16_37 0.9500 . ?
C17_37 C18_37 1.378(8) . ?
C17_37 C20_37 1.473(8) . ?
C18_37 C19_37 1.368(8) . ?
C18_37 H18_37 0.9500 . ?
C19_37 H19_37 0.9500 . ?
C20_37 O3_37 1.253(7) . ?
C20_37 O4_37 1.292(7) . ?
C21_37 C22_37 1.364(8) . ?
C21_37 C26_37 1.396(8) . ?
C22_37 C23_37 1.412(8) . ?
C22_37 H22_37 0.9500 . ?
C23_37 C24_37 1.384(8) . ?
C23_37 H23_37 0.9500 . ?
C24_37 C25_37 1.382(8) . ?
C24_37 C27_37 1.502(8) . ?
C25_37 C26_37 1.390(8) . ?
C25_37 H25_37 0.9500 . ?
C26_37 H26_37 0.9500 . ?
C27_37 O5_37 1.229(7) . ?
C27_37 O6_37 1.279(7) . ?
O2_37 H2A_37 0.8400 . ?
O3_37 H3A_37 0.8400 . ?
O6_37 H6A_37 0.8400 . ?
C1_38 C2_38 1.371(7) . ?
C1_38 C6_38 1.415(7) . ?
C1_38 C7_38 1.475(9) . ?
C2_38 C3_38 1.422(8) . ?
C2_38 H2_38 0.9500 . ?
C3_38 C4_38 1.337(8) . ?
C3_38 C14_38 1.485(7) . ?
C4_38 C5_38 1.392(7) . ?
C4_38 H4_38 0.9500 . ?
C5_38 C6_38 1.346(8) . ?
C5_38 C21_38 1.522(8) . ?
C6_38 H6_38 0.9500 . ?
C7_38 C8_38 1.397(8) . ?
C7_38 C12_38 1.417(8) . ?
C8_38 C9_38 1.389(8) . ?
C8_38 H8_38 0.9500 . ?
C9_38 C10_38 1.343(8) . ?
C9_38 H9_38 0.9500 . ?
C10_38 C11_38 1.402(8) . ?
C10_38 C13_38 1.525(9) . ?
C11_38 C12_38 1.331(8) . ?
C11_38 H11_38 0.9500 . ?
C12_38 H12_38 0.9500 . ?
C13_38 O1_38 1.211(7) . ?
C13_38 O2_38 1.306(7) . ?
C14_38 C19_38 1.379(8) . ?
C14_38 C15_38 1.405(9) . ?
C15_38 C16_38 1.377(8) . ?
C15_38 H15_38 0.9500 . ?
C16_38 C17_38 1.370(8) . ?
C16_38 H16_38 0.9500 . ?
C17_38 C18_38 1.424(9) . ?
C17_38 C20_38 1.500(8) . ?
C18_38 C19_38 1.390(7) . ?
C18_38 H18_38 0.9500 . ?
C19_38 H19_38 0.9500 . ?
C20_38 O3_38 1.233(8) . ?
C20_38 O4_38 1.325(8) . ?
C21_38 C26_38 1.361(8) . ?
C21_38 C22_38 1.392(8) . ?
C22_38 C23_38 1.345(8) . ?
C22_38 H22_38 0.9500 . ?
C23_38 C24_38 1.425(8) . ?
C23_38 H23_38 0.9500 . ?
C24_38 C25_38 1.359(8) . ?
C24_38 C27_38 1.418(8) . ?
C25_38 C26_38 1.360(8) . ?
C25_38 H25_38 0.9500 . ?
C26_38 H26_38 0.9500 . ?
C27_38 O5_38 1.263(8) . ?
C27_38 O6_38 1.331(8) . ?
O2_38 H2A_38 0.8400 . ?
O3_38 H3A_38 0.8400 . ?
O6_38 H6A_38 0.8400 . ?
C1_39 C6_39 1.382(7) . ?
C1_39 C2_39 1.409(7) . ?
C1_39 C7_39 1.475(8) . ?
C2_39 C3_39 1.395(8) . ?
C2_39 H2_39 0.9500 . ?
C3_39 C4_39 1.374(7) . ?
C3_39 C14_39 1.510(8) . ?
C4_39 C5_39 1.377(7) . ?
C4_39 H4_39 0.9500 . ?
C5_39 C6_39 1.416(8) . ?
C5_39 C21_39 1.496(7) . ?
C6_39 H6_39 0.9500 . ?
C7_39 C12_39 1.391(7) . ?
C7_39 C8_39 1.412(7) . ?
C8_39 C9_39 1.415(7) . ?
C8_39 H8_39 0.9500 . ?
C9_39 C10_39 1.381(7) . ?
C9_39 H9_39 0.9500 . ?
C10_39 C11_39 1.380(7) . ?
C10_39 C13_39 1.498(8) . ?
C11_39 C12_39 1.381(8) . ?
C11_39 H11_39 0.9500 . ?
C12_39 H12_39 0.9500 . ?
C13_39 O1_39 1.254(7) . ?
C13_39 O2_39 1.257(6) . ?
C14_39 C15_39 1.357(8) . ?
C14_39 C19_39 1.398(8) . ?
C15_39 C16_39 1.367(8) . ?
C15_39 H15_39 0.9500 . ?
C16_39 C17_39 1.400(8) . ?
C16_39 H16_39 0.9500 . ?
C17_39 C18_39 1.371(8) . ?
C17_39 C20_39 1.462(8) . ?
C18_39 C19_39 1.405(7) . ?
C18_39 H18_39 0.9500 . ?
C19_39 H19_39 0.9500 . ?
C20_39 O3_39 1.273(7) . ?
C20_39 O4_39 1.277(7) . ?
C21_39 C26_39 1.359(8) . ?
C21_39 C22_39 1.374(8) . ?
C22_39 C23_39 1.391(7) . ?
C22_39 H22_39 0.9500 . ?
C23_39 C24_39 1.380(8) . ?
C23_39 H23_39 0.9500 . ?
C24_39 C25_39 1.410(8) . ?
C24_39 C27_39 1.470(8) . ?
C25_39 C26_39 1.389(8) . ?
C25_39 H25_39 0.9500 . ?
C26_39 H26_39 0.9500 . ?
C27_39 O5_39 1.241(7) . ?
C27_39 O6_39 1.306(7) . ?
O2_39 H2A_39 0.8400 . ?
O3_39 H3A_39 0.8400 . ?
O6_39 H6A_39 0.8400 . ?
C1_40 C6_40 1.390(8) . ?
C1_40 C2_40 1.418(7) . ?
C1_40 C7_40 1.465(8) . ?
C2_40 C3_40 1.393(8) . ?
C2_40 H2_40 0.9500 . ?
C3_40 C4_40 1.359(8) . ?
C3_40 C14_40 1.495(7) . ?
C4_40 C5_40 1.366(7) . ?
C4_40 H4_40 0.9500 . ?
C5_40 C6_40 1.377(8) . ?
C5_40 C21_40 1.484(8) . ?
C6_40 H6_40 0.9500 . ?
C7_40 C8_40 1.405(8) . ?
C7_40 C12_40 1.431(8) . ?
C8_40 C9_40 1.347(8) . ?
C8_40 H8_40 0.9500 . ?
C9_40 C10_40 1.399(8) . ?
C9_40 H9_40 0.9500 . ?
C10_40 C11_40 1.344(8) . ?
C10_40 C13_40 1.490(9) . ?
C11_40 C12_40 1.393(8) . ?
C11_40 H11_40 0.9500 . ?
C12_40 H12_40 0.9500 . ?
C13_40 O1_40 1.255(7) . ?
C13_40 O2_40 1.285(7) . ?
C14_40 C15_40 1.402(8) . ?
C14_40 C19_40 1.406(8) . ?
C15_40 C16_40 1.396(8) . ?
C15_40 H15_40 0.9500 . ?
C16_40 C17_40 1.411(8) . ?
C16_40 H16_40 0.9500 . ?
C17_40 C18_40 1.430(8) . ?
C17_40 C20_40 1.460(8) . ?
C18_40 C19_40 1.379(7) . ?
C18_40 H18_40 0.9500 . ?
C19_40 H19_40 0.9500 . ?
C20_40 O4_40 1.235(7) . ?
C20_40 O3_40 1.276(7) . ?
C21_40 C22_40 1.387(8) . ?
C21_40 C26_40 1.396(8) . ?
C22_40 C23_40 1.387(8) . ?
C22_40 H22_40 0.9500 . ?
C23_40 C24_40 1.402(8) . ?
C23_40 H23_40 0.9500 . ?
C24_40 C25_40 1.386(8) . ?
C24_40 C27_40 1.468(8) . ?
C25_40 C26_40 1.398(8) . ?
C25_40 H25_40 0.9500 . ?
C26_40 H26_40 0.9500 . ?
C27_40 O6_40 1.271(7) . ?
C27_40 O5_40 1.291(7) . ?
O2_40 H2A_40 0.8400 . ?
O3_40 H3A_40 0.8400 . ?
O6_40 H6A_40 0.8400 . ?
C1_41 C2_41 1.393(8) . ?
C1_41 C6_41 1.400(8) . ?
C1_41 C7_41 1.502(9) . ?
C2_41 C3_41 1.397(8) . ?
C2_41 H2_41 0.9500 . ?
C3_41 C4_41 1.374(8) . ?
C3_41 C14_41 1.488(8) . ?
C4_41 C5_41 1.413(8) . ?
C4_41 H4_41 0.9500 . ?
C5_41 C6_41 1.369(8) . ?
C5_41 C21_41 1.505(8) . ?
C6_41 H6_41 0.9500 . ?
C7_41 C12_41 1.378(8) . ?
C7_41 C8_41 1.409(8) . ?
C8_41 C9_41 1.389(8) . ?
C8_41 H8_41 0.9500 . ?
C9_41 C10_41 1.432(8) . ?
C9_41 H9_41 0.9500 . ?
C10_41 C11_41 1.359(8) . ?
C10_41 C13_41 1.439(9) . ?
C11_41 C12_41 1.442(8) . ?
C11_41 H11_41 0.9500 . ?
C12_41 H12_41 0.9500 . ?
C13_41 O2_41 1.280(7) . ?
C13_41 O1_41 1.298(8) . ?
C14_41 C15_41 1.371(8) . ?
C14_41 C19_41 1.409(8) . ?
C15_41 C16_41 1.382(7) . ?
C15_41 H15_41 0.9500 . ?
C16_41 C17_41 1.370(8) . ?
C16_41 H16_41 0.9500 . ?
C17_41 C18_41 1.412(9) . ?
C17_41 C20_41 1.442(8) . ?
C18_41 C19_41 1.379(8) . ?
C18_41 H18_41 0.9500 . ?
C19_41 H19_41 0.9500 . ?
C20_41 O4_41 1.247(7) . ?
C20_41 O3_41 1.297(7) . ?
C21_41 C22_41 1.385(8) . ?
C21_41 C26_41 1.405(8) . ?
C22_41 C23_41 1.353(8) . ?
C22_41 H22_41 0.9500 . ?
C23_41 C24_41 1.408(9) . ?
C23_41 H23_41 0.9500 . ?
C24_41 C27_41 1.427(8) . ?
C24_41 C25_41 1.438(8) . ?
C25_41 C26_41 1.380(8) . ?
C25_41 H25_41 0.9500 . ?
C26_41 H26_41 0.9500 . ?
C27_41 O5_41 1.246(8) . ?
C27_41 O6_41 1.297(8) . ?
O2_41 H2A_41 0.8400 . ?
O3_41 H3A_41 0.8400 . ?
O6_41 H6A_41 0.8400 . ?
C1_42 C6_42 1.409(7) . ?
C1_42 C2_42 1.411(7) . ?
C1_42 C7_42 1.440(8) . ?
C2_42 C3_42 1.381(8) . ?
C2_42 H2_42 0.9500 . ?
C3_42 C4_42 1.395(7) . ?
C3_42 C14_42 1.479(7) . ?
C4_42 C5_42 1.380(7) . ?
C4_42 H4_42 0.9500 . ?
C5_42 C6_42 1.402(8) . ?
C5_42 C21_42 1.460(8) . ?
C6_42 H6_42 0.9500 . ?
C7_42 C8_42 1.394(7) . ?
C7_42 C12_42 1.416(7) . ?
C8_42 C9_42 1.372(8) . ?
C8_42 H8_42 0.9500 . ?
C9_42 C10_42 1.374(8) . ?
C9_42 H9_42 0.9500 . ?
C10_42 C11_42 1.371(8) . ?
C10_42 C13_42 1.451(8) . ?
C11_42 C12_42 1.392(8) . ?
C11_42 H11_42 0.9500 . ?
C12_42 H12_42 0.9500 . ?
C13_42 O1_42 1.239(7) . ?
C13_42 O2_42 1.321(7) . ?
C14_42 C15_42 1.385(8) . ?
C14_42 C19_42 1.417(8) . ?
C15_42 C16_42 1.399(8) . ?
C15_42 H15_42 0.9500 . ?
C16_42 C17_42 1.366(8) . ?
C16_42 H16_42 0.9500 . ?
C17_42 C18_42 1.400(9) . ?
C17_42 C20_42 1.464(8) . ?
C18_42 C19_42 1.396(8) . ?
C18_42 H18_42 0.9500 . ?
C19_42 H19_42 0.9500 . ?
C20_42 O3_42 1.231(7) . ?
C20_42 O4_42 1.323(8) . ?
C21_42 C26_42 1.382(8) . ?
C21_42 C22_42 1.412(7) . ?
C22_42 C23_42 1.387(8) . ?
C22_42 H22_42 0.9500 . ?
C23_42 C24_42 1.389(8) . ?
C23_42 H23_42 0.9500 . ?
C24_42 C25_42 1.381(8) . ?
C24_42 C27_42 1.510(8) . ?
C25_42 C26_42 1.378(8) . ?
C25_42 H25_42 0.9500 . ?
C26_42 H26_42 0.9500 . ?
C27_42 O5_42 1.254(8) . ?
C27_42 O6_42 1.274(8) . ?
O2_42 H2A_42 0.8400 . ?
O3_42 H3A_42 0.8400 . ?
O6_42 H6A_42 0.8400 . ?
C1_43 C2_43 1.408(8) . ?
C1_43 C6_43 1.424(7) . ?
C1_43 C7_43 1.465(7) . ?
C2_43 C3_43 1.368(8) . ?
C2_43 H2_43 0.9500 . ?
C3_43 C4_43 1.407(7) . ?
C3_43 C14_43 1.452(8) . ?
C4_43 C5_43 1.384(8) . ?
C4_43 H4_43 0.9500 . ?
C5_43 C6_43 1.407(7) . ?
C5_43 C21_43 1.490(7) . ?
C6_43 H6_43 0.9500 . ?
C7_43 C12_43 1.388(8) . ?
C7_43 C8_43 1.392(8) . ?
C8_43 C9_43 1.394(8) . ?
C8_43 H8_43 0.9500 . ?
C9_43 C10_43 1.391(9) . ?
C9_43 H9_43 0.9500 . ?
C10_43 C11_43 1.358(8) . ?
C10_43 C13_43 1.470(9) . ?
C11_43 C12_43 1.391(8) . ?
C11_43 H11_43 0.9500 . ?
C12_43 H12_43 0.9500 . ?
C13_43 O2_43 1.229(8) . ?
C13_43 O1_43 1.300(8) . ?
C14_43 C15_43 1.390(7) . ?
C14_43 C19_43 1.419(7) . ?
C15_43 C16_43 1.362(8) . ?
C15_43 H15_43 0.9500 . ?
C16_43 C17_43 1.393(7) . ?
C16_43 H16_43 0.9500 . ?
C17_43 C18_43 1.378(7) . ?
C17_43 C20_43 1.463(8) . ?
C18_43 C19_43 1.387(8) . ?
C18_43 H18_43 0.9500 . ?
C19_43 H19_43 0.9500 . ?
C20_43 O4_43 1.239(6) . ?
C20_43 O3_43 1.297(7) . ?
C21_43 C26_43 1.378(8) . ?
C21_43 C22_43 1.395(8) . ?
C22_43 C23_43 1.411(7) . ?
C22_43 H22_43 0.9500 . ?
C23_43 C24_43 1.412(8) . ?
C23_43 H23_43 0.9500 . ?
C24_43 C25_43 1.382(8) . ?
C24_43 C27_43 1.469(7) . ?
C25_43 C26_43 1.393(7) . ?
C25_43 H25_43 0.9500 . ?
C26_43 H26_43 0.9500 . ?
C27_43 O5_43 1.259(7) . ?
C27_43 O6_43 1.276(7) . ?
O2_43 H2A_43 0.8400 . ?
O3_43 H3A_43 0.8400 . ?
O6_43 H6A_43 0.8400 . ?
C1_44 C6_44 1.397(7) . ?
C1_44 C2_44 1.415(8) . ?
C1_44 C7_44 1.490(8) . ?
C2_44 C3_44 1.388(8) . ?
C2_44 H2_44 0.9500 . ?
C3_44 C4_44 1.412(7) . ?
C3_44 C14_44 1.457(7) . ?
C4_44 C5_44 1.418(8) . ?
C4_44 H4_44 0.9500 . ?
C5_44 C6_44 1.370(8) . ?
C5_44 C21_44 1.501(7) . ?
C6_44 H6_44 0.9500 . ?
C7_44 C12_44 1.389(8) . ?
C7_44 C8_44 1.415(8) . ?
C8_44 C9_44 1.362(7) . ?
C8_44 H8_44 0.9500 . ?
C9_44 C10_44 1.411(7) . ?
C9_44 H9_44 0.9500 . ?
C10_44 C11_44 1.392(7) . ?
C10_44 C13_44 1.438(8) . ?
C11_44 C12_44 1.361(7) . ?
C11_44 H11_44 0.9500 . ?
C12_44 H12_44 0.9500 . ?
C13_44 O1_44 1.250(7) . ?
C13_44 O2_44 1.329(7) . ?
C14_44 C19_44 1.396(8) . ?
C14_44 C15_44 1.429(8) . ?
C15_44 C16_44 1.368(8) . ?
C15_44 H15_44 0.9500 . ?
C16_44 C17_44 1.378(8) . ?
C16_44 H16_44 0.9500 . ?
C17_44 C18_44 1.393(8) . ?
C17_44 C20_44 1.496(8) . ?
C18_44 C19_44 1.397(8) . ?
C18_44 H18_44 0.9500 . ?
C19_44 H19_44 0.9500 . ?
C20_44 O4_44 1.227(7) . ?
C20_44 O3_44 1.299(7) . ?
C21_44 C26_44 1.375(8) . ?
C21_44 C22_44 1.405(8) . ?
C22_44 C23_44 1.345(7) . ?
C22_44 H22_44 0.9500 . ?
C23_44 C24_44 1.417(8) . ?
C23_44 H23_44 0.9500 . ?
C24_44 C25_44 1.391(8) . ?
C24_44 C27_44 1.484(8) . ?
C25_44 C26_44 1.354(8) . ?
C25_44 H25_44 0.9500 . ?
C26_44 H26_44 0.9500 . ?
C27_44 O6_44 1.266(7) . ?
C27_44 O5_44 1.309(7) . ?
O2_44 H2A_44 0.8400 . ?
O3_44 H3A_44 0.8400 . ?
O6_44 H6A_44 0.8400 . ?
C1_45 C6_45 1.414(8) . ?
C1_45 C2_45 1.433(8) . ?
C1_45 C7_45 1.456(9) . ?
C2_45 C3_45 1.339(8) . ?
C2_45 H2_45 0.9500 . ?
C3_45 C4_45 1.413(8) . ?
C3_45 C14_45 1.497(8) . ?
C4_45 C5_45 1.382(8) . ?
C4_45 H4_45 0.9500 . ?
C5_45 C6_45 1.374(8) . ?
C5_45 C21_45 1.494(8) . ?
C6_45 H6_45 0.9500 . ?
C7_45 C12_45 1.394(8) . ?
C7_45 C8_45 1.426(8) . ?
C8_45 C9_45 1.387(7) . ?
C8_45 H8_45 0.9500 . ?
C9_45 C10_45 1.418(7) . ?
C9_45 H9_45 0.9500 . ?
C10_45 C11_45 1.388(8) . ?
C10_45 C13_45 1.422(9) . ?
C11_45 C12_45 1.398(8) . ?
C11_45 H11_45 0.9500 . ?
C12_45 H12_45 0.9500 . ?
C13_45 O1_45 1.228(7) . ?
C13_45 O2_45 1.340(7) . ?
C14_45 C19_45 1.352(8) . ?
C14_45 C15_45 1.409(9) . ?
C15_45 C16_45 1.383(8) . ?
C15_45 H15_45 0.9500 . ?
C16_45 C17_45 1.359(9) . ?
C16_45 H16_45 0.9500 . ?
C17_45 C20_45 1.408(8) . ?
C17_45 C18_45 1.426(9) . ?
C18_45 C19_45 1.398(8) . ?
C18_45 H18_45 0.9500 . ?
C19_45 H19_45 0.9500 . ?
C20_45 O4_45 1.265(7) . ?
C20_45 O3_45 1.321(8) . ?
C21_45 C26_45 1.326(9) . ?
C21_45 C22_45 1.380(8) . ?
C22_45 C23_45 1.368(8) . ?
C22_45 H22_45 0.9500 . ?
C23_45 C24_45 1.351(9) . ?
C23_45 H23_45 0.9500 . ?
C24_45 C25_45 1.403(9) . ?
C24_45 C27_45 1.491(9) . ?
C25_45 C26_45 1.412(9) . ?
C25_45 H25_45 0.9500 . ?
C26_45 H26_45 0.9500 . ?
C27_45 O5_45 1.262(8) . ?
C27_45 O6_45 1.277(8) . ?
O2_45 H2A_45 0.8400 . ?
O3_45 H3A_45 0.8400 . ?
O6_45 H6A_45 0.8400 . ?
C1_46 C6_46 1.389(8) . ?
C1_46 C2_46 1.396(8) . ?
C1_46 C7_46 1.525(8) . ?
C2_46 C3_46 1.401(8) . ?
C2_46 H2_46 0.9500 . ?
C3_46 C4_46 1.434(8) . ?
C3_46 C14_46 1.482(8) . ?
C4_46 C5_46 1.344(8) . ?
C4_46 H4_46 0.9500 . ?
C5_46 C6_46 1.394(8) . ?
C5_46 C21_46 1.506(8) . ?
C6_46 H6_46 0.9500 . ?
C7_46 C12_46 1.342(8) . ?
C7_46 C8_46 1.414(8) . ?
C8_46 C9_46 1.371(8) . ?
C8_46 H8_46 0.9500 . ?
C9_46 C10_46 1.382(8) . ?
C9_46 H9_46 0.9500 . ?
C10_46 C11_46 1.360(8) . ?
C10_46 C13_46 1.575(9) . ?
C11_46 C12_46 1.354(8) . ?
C11_46 H11_46 0.9500 . ?
C12_46 H12_46 0.9500 . ?
C13_46 O2_46 1.182(7) . ?
C13_46 O1_46 1.287(7) . ?
C14_46 C15_46 1.392(8) . ?
C14_46 C19_46 1.405(8) . ?
C15_46 C16_46 1.404(8) . ?
C15_46 H15_46 0.9500 . ?
C16_46 C17_46 1.378(9) . ?
C16_46 H16_46 0.9500 . ?
C17_46 C18_46 1.414(9) . ?
C17_46 C20_46 1.465(9) . ?
C18_46 C19_46 1.386(8) . ?
C18_46 H18_46 0.9500 . ?
C19_46 H19_46 0.9500 . ?
C20_46 O5_46 1.261(8) . ?
C20_46 O3_46 1.285(8) . ?
C21_46 C22_46 1.367(8) . ?
C21_46 C26_46 1.376(8) . ?
C22_46 C23_46 1.370(8) . ?
C22_46 H22_46 0.9500 . ?
C23_46 C24_46 1.385(8) . ?
C23_46 H23_46 0.9500 . ?
C24_46 C25_46 1.383(8) . ?
C24_46 C27_46 1.495(8) . ?
C25_46 C26_46 1.401(8) . ?
C25_46 H25_46 0.9500 . ?
C26_46 H26_46 0.9500 . ?
C27_46 O4_46 1.256(8) . ?
C27_46 O6_46 1.289(8) . ?
O1_46 H1A_46 0.8400 . ?
O3_46 H3A_46 0.8400 . ?
O6_46 H6A_46 0.8400 . ?
C1_47 C2_47 1.371(8) . ?
C1_47 C6_47 1.427(8) . ?
C1_47 C7_47 1.484(8) . ?
C2_47 C3_47 1.407(8) . ?
C2_47 H2_47 0.9500 . ?
C3_47 C4_47 1.393(8) . ?
C3_47 C14_47 1.456(8) . ?
C4_47 C5_47 1.381(8) . ?
C4_47 H4_47 0.9500 . ?
C5_47 C6_47 1.374(8) . ?
C5_47 C21_47 1.504(7) . ?
C6_47 H6_47 0.9500 . ?
C7_47 C12_47 1.413(8) . ?
C7_47 C8_47 1.425(8) . ?
C8_47 C9_47 1.383(8) . ?
C8_47 H8_47 0.9500 . ?
C9_47 C10_47 1.406(8) . ?
C9_47 H9_47 0.9500 . ?
C10_47 C11_47 1.365(8) . ?
C10_47 C13_47 1.515(9) . ?
C11_47 C12_47 1.358(8) . ?
C11_47 H11_47 0.9500 . ?
C12_47 H12_47 0.9500 . ?
C13_47 O2_47 1.252(7) . ?
C13_47 O1_47 1.261(7) . ?
C14_47 C19_47 1.385(8) . ?
C14_47 C15_47 1.401(8) . ?
C15_47 C16_47 1.401(8) . ?
C15_47 H15_47 0.9500 . ?
C16_47 C17_47 1.430(9) . ?
C16_47 H16_47 0.9500 . ?
C17_47 C18_47 1.388(8) . ?
C17_47 C20_47 1.499(9) . ?
C18_47 C19_47 1.346(8) . ?
C18_47 H18_47 0.9500 . ?
C19_47 H19_47 0.9500 . ?
C20_47 O3_47 1.259(8) . ?
C20_47 O4_47 1.303(8) . ?
C21_47 C26_47 1.385(8) . ?
C21_47 C22_47 1.393(8) . ?
C22_47 C23_47 1.381(7) . ?
C22_47 H22_47 0.9500 . ?
C23_47 C24_47 1.437(8) . ?
C23_47 H23_47 0.9500 . ?
C24_47 C25_47 1.382(8) . ?
C24_47 C27_47 1.487(8) . ?
C25_47 C26_47 1.393(8) . ?
C25_47 H25_47 0.9500 . ?
C26_47 H26_47 0.9500 . ?
C27_47 O5_47 1.255(7) . ?
C27_47 O6_47 1.266(7) . ?
O1_47 H1A_47 0.8400 . ?
O3_47 H3A_47 0.8400 . ?
O6_47 H6A_47 0.8400 . ?
C1_48 C2_48 1.398(8) . ?
C1_48 C6_48 1.418(8) . ?
C1_48 C7_48 1.443(9) . ?
C2_48 C3_48 1.396(8) . ?
C2_48 H2_48 0.9500 . ?
C3_48 C4_48 1.399(8) . ?
C3_48 C14_48 1.446(8) . ?
C4_48 C5_48 1.380(8) . ?
C4_48 H4_48 0.9500 . ?
C5_48 C6_48 1.379(8) . ?
C5_48 C21_48 1.502(8) . ?
C6_48 H6_48 0.9500 . ?
C7_48 C8_48 1.367(8) . ?
C7_48 C12_48 1.426(9) . ?
C8_48 C9_48 1.407(8) . ?
C8_48 H8_48 0.9500 . ?
C9_48 C10_48 1.369(9) . ?
C9_48 H9_48 0.9500 . ?
C10_48 C13_48 1.394(9) . ?
C10_48 C11_48 1.418(9) . ?
C11_48 C12_48 1.337(8) . ?
C11_48 H11_48 0.9500 . ?
C12_48 H12_48 0.9500 . ?
C13_48 O1_48 1.256(7) . ?
C13_48 O2_48 1.334(8) . ?
C14_48 C19_48 1.387(8) . ?
C14_48 C15_48 1.441(9) . ?
C15_48 C16_48 1.404(8) . ?
C15_48 H15_48 0.9500 . ?
C16_48 C17_48 1.394(9) . ?
C16_48 H16_48 0.9500 . ?
C17_48 C18_48 1.366(9) . ?
C17_48 C20_48 1.440(9) . ?
C18_48 C19_48 1.381(8) . ?
C18_48 H18_48 0.9500 . ?
C19_48 H19_48 0.9500 . ?
C20_48 O3_48 1.259(8) . ?
C20_48 O4_48 1.299(8) . ?
C21_48 C26_48 1.365(8) . ?
C21_48 C22_48 1.392(8) . ?
C22_48 C23_48 1.368(8) . ?
C22_48 H22_48 0.9500 . ?
C23_48 C24_48 1.330(8) . ?
C23_48 H23_48 0.9500 . ?
C24_48 C25_48 1.422(8) . ?
C24_48 C27_48 1.500(8) . ?
C25_48 C26_48 1.401(7) . ?
C25_48 H25_48 0.9500 . ?
C26_48 H26_48 0.9500 . ?
C27_48 O5_48 1.255(7) . ?
C27_48 O6_48 1.270(7) . ?
O2_48 H2A_48 0.8400 . ?
O3_48 H3A_48 0.8400 . ?
O6_48 H6A_48 0.8400 . ?
C1_49 C6_49 1.350(8) . ?
C1_49 C2_49 1.409(8) . ?
C1_49 C7_49 1.509(9) . ?
C2_49 C3_49 1.345(8) . ?
C2_49 H2_49 0.9500 . ?
C3_49 C4_49 1.393(8) . ?
C3_49 C14_49 1.500(8) . ?
C4_49 C5_49 1.347(8) . ?
C4_49 H4_49 0.9500 . ?
C5_49 C6_49 1.410(8) . ?
C5_49 C21_49 1.492(8) . ?
C6_49 H6_49 0.9500 . ?
C7_49 C8_49 1.382(8) . ?
C7_49 C12_49 1.391(8) . ?
C8_49 C9_49 1.348(8) . ?
C8_49 H8_49 0.9500 . ?
C9_49 C10_49 1.420(8) . ?
C9_49 H9_49 0.9500 . ?
C10_49 C11_49 1.401(8) . ?
C10_49 C13_49 1.455(9) . ?
C11_49 C12_49 1.384(8) . ?
C11_49 H11_49 0.9500 . ?
C12_49 H12_49 0.9500 . ?
C13_49 O2_49 1.230(7) . ?
C13_49 O1_49 1.288(7) . ?
C14_49 C19_49 1.375(8) . ?
C14_49 C15_49 1.427(8) . ?
C15_49 C16_49 1.416(8) . ?
C15_49 H15_49 0.9500 . ?
C16_49 C17_49 1.404(8) . ?
C16_49 H16_49 0.9500 . ?
C17_49 C18_49 1.394(8) . ?
C17_49 C20_49 1.484(8) . ?
C18_49 C19_49 1.393(8) . ?
C18_49 H18_49 0.9500 . ?
C19_49 H19_49 0.9500 . ?
C20_49 O4_49 1.276(8) . ?
C20_49 O3_49 1.291(8) . ?
C21_49 C22_49 1.391(9) . ?
C21_49 C26_49 1.417(8) . ?
C22_49 C23_49 1.384(9) . ?
C22_49 H22_49 0.9500 . ?
C23_49 C24_49 1.377(9) . ?
C23_49 H23_49 0.9500 . ?
C24_49 C25_49 1.364(9) . ?
C24_49 C27_49 1.468(9) . ?
C25_49 C26_49 1.339(8) . ?
C25_49 H25_49 0.9500 . ?
C26_49 H26_49 0.9500 . ?
C27_49 O5_49 1.269(8) . ?
C27_49 O6_49 1.287(8) . ?
O1_49 H1A_49 0.8400 . ?
O3_49 H3A_49 0.8400 . ?
O6_49 H6A_49 0.8400 . ?
C1_50 C2_50 1.385(7) . ?
C1_50 C6_50 1.387(7) . ?
C1_50 C7_50 1.535(8) . ?
C2_50 C3_50 1.398(8) . ?
C2_50 H2_50 0.9500 . ?
C3_50 C4_50 1.381(8) . ?
C3_50 C14_50 1.503(7) . ?
C4_50 C5_50 1.393(7) . ?
C4_50 H4_50 0.9500 . ?
C5_50 C6_50 1.359(8) . ?
C5_50 C21_50 1.520(8) . ?
C6_50 H6_50 0.9500 . ?
C7_50 C8_50 1.349(8) . ?
C7_50 C12_50 1.389(7) . ?
C8_50 C9_50 1.361(8) . ?
C8_50 H8_50 0.9500 . ?
C9_50 C10_50 1.390(8) . ?
C9_50 H9_50 0.9500 . ?
C10_50 C11_50 1.357(8) . ?
C10_50 C13_50 1.441(8) . ?
C11_50 C12_50 1.409(8) . ?
C11_50 H11_50 0.9500 . ?
C12_50 H12_50 0.9500 . ?
C13_50 O1_50 1.232(7) . ?
C13_50 O2_50 1.358(7) . ?
C14_50 C19_50 1.392(8) . ?
C14_50 C15_50 1.401(8) . ?
C15_50 C16_50 1.379(8) . ?
C15_50 H15_50 0.9500 . ?
C16_50 C17_50 1.361(8) . ?
C16_50 H16_50 0.9500 . ?
C17_50 C18_50 1.425(8) . ?
C17_50 C20_50 1.478(8) . ?
C18_50 C19_50 1.382(7) . ?
C18_50 H18_50 0.9500 . ?
C19_50 H19_50 0.9500 . ?
C20_50 O3_50 1.261(7) . ?
C20_50 O4_50 1.270(7) . ?
C21_50 C22_50 1.373(8) . ?
C21_50 C26_50 1.373(8) . ?
C22_50 C23_50 1.399(7) . ?
C22_50 H22_50 0.9500 . ?
C23_50 C24_50 1.372(8) . ?
C23_50 H23_50 0.9500 . ?
C24_50 C25_50 1.396(8) . ?
C24_50 C27_50 1.476(8) . ?
C25_50 C26_50 1.406(8) . ?
C25_50 H25_50 0.9500 . ?
C26_50 H26_50 0.9500 . ?
C27_50 O5_50 1.232(8) . ?
C27_50 O6_50 1.321(8) . ?
O2_50 H2A_50 0.8400 . ?
O3_50 H3A_50 0.8400 . ?
O6_50 H6A_50 0.8400 . ?
C1_51 C6_51 1.383(7) . ?
C1_51 C2_51 1.399(7) . ?
C1_51 C7_51 1.467(8) . ?
C2_51 C3_51 1.405(8) . ?
C2_51 H2_51 0.9500 . ?
C3_51 C4_51 1.406(7) . ?
C3_51 C14_51 1.457(8) . ?
C4_51 C5_51 1.360(7) . ?
C4_51 H4_51 0.9500 . ?
C5_51 C6_51 1.391(8) . ?
C5_51 C21_51 1.528(7) . ?
C6_51 H6_51 0.9500 . ?
C7_51 C12_51 1.388(8) . ?
C7_51 C8_51 1.428(8) . ?
C8_51 C9_51 1.386(8) . ?
C8_51 H8_51 0.9500 . ?
C9_51 C10_51 1.387(8) . ?
C9_51 H9_51 0.9500 . ?
C10_51 C11_51 1.409(8) . ?
C10_51 C13_51 1.453(8) . ?
C11_51 C12_51 1.379(8) . ?
C11_51 H11_51 0.9500 . ?
C12_51 H12_51 0.9500 . ?
C13_51 O2_51 1.238(7) . ?
C13_51 O1_51 1.294(7) . ?
C14_51 C15_51 1.400(8) . ?
C14_51 C19_51 1.403(8) . ?
C15_51 C16_51 1.387(7) . ?
C15_51 H15_51 0.9500 . ?
C16_51 C17_51 1.407(8) . ?
C16_51 H16_51 0.9500 . ?
C17_51 C18_51 1.370(8) . ?
C17_51 C20_51 1.483(8) . ?
C18_51 C19_51 1.374(7) . ?
C18_51 H18_51 0.9500 . ?
C19_51 H19_51 0.9500 . ?
C20_51 O4_51 1.220(7) . ?
C20_51 O3_51 1.310(7) . ?
C21_51 C26_51 1.369(8) . ?
C21_51 C22_51 1.440(8) . ?
C22_51 C23_51 1.396(7) . ?
C22_51 H22_51 0.9500 . ?
C23_51 C24_51 1.411(8) . ?
C23_51 H23_51 0.9500 . ?
C24_51 C25_51 1.344(8) . ?
C24_51 C27_51 1.510(9) . ?
C25_51 C26_51 1.397(7) . ?
C25_51 H25_51 0.9500 . ?
C26_51 H26_51 0.9500 . ?
C27_51 O5_51 1.243(7) . ?
C27_51 O6_51 1.271(8) . ?
O2_51 H2A_51 0.8400 . ?
O3_51 H3A_51 0.8400 . ?
O6_51 H6A_51 0.8400 . ?
C1_52 C2_52 1.362(7) . ?
C1_52 C6_52 1.374(7) . ?
C1_52 C7_52 1.528(8) . ?
C2_52 C3_52 1.369(8) . ?
C2_52 H2_52 0.9500 . ?
C3_52 C4_52 1.407(8) . ?
C3_52 C14_52 1.523(8) . ?
C4_52 C5_52 1.365(8) . ?
C4_52 H4_52 0.9500 . ?
C5_52 C6_52 1.378(8) . ?
C5_52 C21_52 1.509(8) . ?
C6_52 H6_52 0.9500 . ?
C7_52 C8_52 1.390(8) . ?
C7_52 C12_52 1.390(8) . ?
C8_52 C9_52 1.384(8) . ?
C8_52 H8_52 0.9500 . ?
C9_52 C10_52 1.409(8) . ?
C9_52 H9_52 0.9500 . ?
C10_52 C11_52 1.319(8) . ?
C10_52 C13_52 1.461(9) . ?
C11_52 C12_52 1.374(8) . ?
C11_52 H11_52 0.9500 . ?
C12_52 H12_52 0.9500 . ?
C13_52 O2_52 1.274(7) . ?
C13_52 O1_52 1.319(7) . ?
C14_52 C15_52 1.367(8) . ?
C14_52 C19_52 1.427(8) . ?
C15_52 C16_52 1.415(7) . ?
C15_52 H15_52 0.9500 . ?
C16_52 C17_52 1.338(8) . ?
C16_52 H16_52 0.9500 . ?
C17_52 C18_52 1.430(9) . ?
C17_52 C20_52 1.526(8) . ?
C18_52 C19_52 1.318(8) . ?
C18_52 H18_52 0.9500 . ?
C19_52 H19_52 0.9500 . ?
C20_52 O3_52 1.236(8) . ?
C20_52 O4_52 1.265(8) . ?
C21_52 C26_52 1.362(8) . ?
C21_52 C22_52 1.391(8) . ?
C22_52 C23_52 1.389(8) . ?
C22_52 H22_52 0.9500 . ?
C23_52 C24_52 1.365(8) . ?
C23_52 H23_52 0.9500 . ?
C24_52 C25_52 1.385(8) . ?
C24_52 C27_52 1.458(8) . ?
C25_52 C26_52 1.422(8) . ?
C25_52 H25_52 0.9500 . ?
C26_52 H26_52 0.9500 . ?
C27_52 O5_52 1.238(7) . ?
C27_52 O6_52 1.298(7) . ?
O2_52 H2A_52 0.8400 . ?
O3_52 H3A_52 0.8400 . ?
O6_52 H6A_52 0.8400 . ?
C1_53 C6_53 1.384(7) . ?
C1_53 C2_53 1.387(8) . ?
C1_53 C7_53 1.475(8) . ?
C2_53 C3_53 1.399(8) . ?
C2_53 H2_53 0.9500 . ?
C3_53 C4_53 1.414(8) . ?
C3_53 C14_53 1.510(8) . ?
C4_53 C5_53 1.396(8) . ?
C4_53 H4_53 0.9500 . ?
C5_53 C6_53 1.379(8) . ?
C5_53 C21_53 1.505(8) . ?
C6_53 H6_53 0.9500 . ?
C7_53 C8_53 1.393(8) . ?
C7_53 C12_53 1.398(8) . ?
C8_53 C9_53 1.363(8) . ?
C8_53 H8_53 0.9500 . ?
C9_53 C10_53 1.416(8) . ?
C9_53 H9_53 0.9500 . ?
C10_53 C11_53 1.378(8) . ?
C10_53 C13_53 1.511(9) . ?
C11_53 C12_53 1.392(8) . ?
C11_53 H11_53 0.9500 . ?
C12_53 H12_53 0.9500 . ?
C13_53 O1_53 1.264(7) . ?
C13_53 O2_53 1.272(7) . ?
C14_53 C15_53 1.390(8) . ?
C14_53 C19_53 1.398(8) . ?
C15_53 C16_53 1.430(8) . ?
C15_53 H15_53 0.9500 . ?
C16_53 C17_53 1.334(8) . ?
C16_53 H16_53 0.9500 . ?
C17_53 C18_53 1.460(9) . ?
C17_53 C20_53 1.483(8) . ?
C18_53 C19_53 1.378(8) . ?
C18_53 H18_53 0.9500 . ?
C19_53 H19_53 0.9500 . ?
C20_53 O3_53 1.248(7) . ?
C20_53 O4_53 1.291(7) . ?
C21_53 C26_53 1.370(8) . ?
C21_53 C22_53 1.431(8) . ?
C22_53 C23_53 1.364(8) . ?
C22_53 H22_53 0.9500 . ?
C23_53 C24_53 1.398(9) . ?
C23_53 H23_53 0.9500 . ?
C24_53 C25_53 1.368(8) . ?
C24_53 C27_53 1.444(9) . ?
C25_53 C26_53 1.382(8) . ?
C25_53 H25_53 0.9500 . ?
C26_53 H26_53 0.9500 . ?
C27_53 O6_53 1.258(8) . ?
C27_53 O5_53 1.280(8) . ?
O2_53 H2A_53 0.8400 . ?
O3_53 H3A_53 0.8400 . ?
O6_53 H6A_53 0.8400 . ?
C1_54 C6_54 1.377(8) . ?
C1_54 C2_54 1.408(8) . ?
C1_54 C7_54 1.473(8) . ?
C2_54 C3_54 1.402(8) . ?
C2_54 H2_54 0.9500 . ?
C3_54 C4_54 1.395(8) . ?
C3_54 C14_54 1.469(8) . ?
C4_54 C5_54 1.451(8) . ?
C4_54 H4_54 0.9500 . ?
C5_54 C6_54 1.393(8) . ?
C5_54 C21_54 1.482(8) . ?
C6_54 H6_54 0.9500 . ?
C7_54 C12_54 1.371(8) . ?
C7_54 C8_54 1.414(8) . ?
C8_54 C9_54 1.378(8) . ?
C8_54 H8_54 0.9500 . ?
C9_54 C10_54 1.387(8) . ?
C9_54 H9_54 0.9500 . ?
C10_54 C11_54 1.408(8) . ?
C10_54 C13_54 1.539(9) . ?
C11_54 C12_54 1.349(8) . ?
C11_54 H11_54 0.9500 . ?
C12_54 H12_54 0.9500 . ?
C13_54 O1_54 1.242(8) . ?
C13_54 O2_54 1.261(7) . ?
C14_54 C15_54 1.384(8) . ?
C14_54 C19_54 1.414(7) . ?
C15_54 C16_54 1.368(8) . ?
C15_54 H15_54 0.9500 . ?
C16_54 C17_54 1.374(8) . ?
C16_54 H16_54 0.9500 . ?
C17_54 C18_54 1.397(8) . ?
C17_54 C20_54 1.466(8) . ?
C18_54 C19_54 1.401(7) . ?
C18_54 H18_54 0.9500 . ?
C19_54 H19_54 0.9500 . ?
C20_54 O4_54 1.266(7) . ?
C20_54 O3_54 1.272(7) . ?
C21_54 C22_54 1.364(8) . ?
C21_54 C26_54 1.394(8) . ?
C22_54 C23_54 1.391(8) . ?
C22_54 H22_54 0.9500 . ?
C23_54 C24_54 1.381(8) . ?
C23_54 H23_54 0.9500 . ?
C24_54 C25_54 1.375(8) . ?
C24_54 C27_54 1.490(8) . ?
C25_54 C26_54 1.358(7) . ?
C25_54 H25_54 0.9500 . ?
C26_54 H26_54 0.9500 . ?
C27_54 O5_54 1.255(7) . ?
C27_54 O6_54 1.300(8) . ?
O2_54 H2A_54 0.8400 . ?
O3_54 H3A_54 0.8400 . ?
O6_54 H6A_54 0.8400 . ?
C1_55 C6_55 1.394(7) . ?
C1_55 C2_55 1.412(7) . ?
C1_55 C7_55 1.494(8) . ?
C2_55 C3_55 1.340(8) . ?
C2_55 H2_55 0.9500 . ?
C3_55 C4_55 1.394(7) . ?
C3_55 C14_55 1.514(7) . ?
C4_55 C5_55 1.387(7) . ?
C4_55 H4_55 0.9500 . ?
C5_55 C6_55 1.412(8) . ?
C5_55 C21_55 1.474(7) . ?
C6_55 H6_55 0.9500 . ?
C7_55 C12_55 1.399(8) . ?
C7_55 C8_55 1.406(8) . ?
C8_55 C9_55 1.371(8) . ?
C8_55 H8_55 0.9500 . ?
C9_55 C10_55 1.456(9) . ?
C9_55 H9_55 0.9500 . ?
C10_55 C11_55 1.373(9) . ?
C10_55 C13_55 1.411(9) . ?
C11_55 C12_55 1.369(8) . ?
C11_55 H11_55 0.9500 . ?
C12_55 H12_55 0.9500 . ?
C13_55 O2_55 1.266(7) . ?
C13_55 O1_55 1.332(7) . ?
C14_55 C15_55 1.355(7) . ?
C14_55 C19_55 1.419(8) . ?
C15_55 C16_55 1.390(7) . ?
C15_55 H15_55 0.9500 . ?
C16_55 C17_55 1.400(8) . ?
C16_55 H16_55 0.9500 . ?
C17_55 C18_55 1.378(8) . ?
C17_55 C20_55 1.493(8) . ?
C18_55 C19_55 1.394(7) . ?
C18_55 H18_55 0.9500 . ?
C19_55 H19_55 0.9500 . ?
C20_55 O4_55 1.235(7) . ?
C20_55 O3_55 1.294(8) . ?
C21_55 C26_55 1.355(8) . ?
C21_55 C22_55 1.389(8) . ?
C22_55 C23_55 1.380(7) . ?
C22_55 H22_55 0.9500 . ?
C23_55 C24_55 1.406(8) . ?
C23_55 H23_55 0.9500 . ?
C24_55 C25_55 1.390(8) . ?
C24_55 C27_55 1.409(8) . ?
C25_55 C26_55 1.395(8) . ?
C25_55 H25_55 0.9500 . ?
C26_55 H26_55 0.9500 . ?
C27_55 O5_55 1.276(7) . ?
C27_55 O6_55 1.362(7) . ?
O1_55 H1A_55 0.8400 . ?
O3_55 H3A_55 0.8400 . ?
O6_55 H6A_55 0.8400 . ?
C1_56 C2_56 1.355(7) . ?
C1_56 C6_56 1.407(7) . ?
C1_56 C7_56 1.494(8) . ?
C2_56 C3_56 1.420(8) . ?
C2_56 H2_56 0.9500 . ?
C3_56 C4_56 1.388(7) . ?
C3_56 C14_56 1.477(7) . ?
C4_56 C5_56 1.387(7) . ?
C4_56 H4_56 0.9500 . ?
C5_56 C6_56 1.375(8) . ?
C5_56 C21_56 1.493(8) . ?
C6_56 H6_56 0.9500 . ?
C7_56 C8_56 1.392(7) . ?
C7_56 C12_56 1.405(7) . ?
C8_56 C9_56 1.419(8) . ?
C8_56 H8_56 0.9500 . ?
C9_56 C10_56 1.421(7) . ?
C9_56 H9_56 0.9500 . ?
C10_56 C11_56 1.360(8) . ?
C10_56 C13_56 1.490(8) . ?
C11_56 C12_56 1.349(8) . ?
C11_56 H11_56 0.9500 . ?
C12_56 H12_56 0.9500 . ?
C13_56 O1_56 1.262(7) . ?
C13_56 O2_56 1.264(6) . ?
C14_56 C15_56 1.375(8) . ?
C14_56 C19_56 1.397(7) . ?
C15_56 C16_56 1.388(8) . ?
C15_56 H15_56 0.9500 . ?
C16_56 C17_56 1.403(8) . ?
C16_56 H16_56 0.9500 . ?
C17_56 C18_56 1.342(8) . ?
C17_56 C20_56 1.514(8) . ?
C18_56 C19_56 1.388(7) . ?
C18_56 H18_56 0.9500 . ?
C19_56 H19_56 0.9500 . ?
C20_56 O3_56 1.246(8) . ?
C20_56 O4_56 1.264(7) . ?
C21_56 C22_56 1.402(8) . ?
C21_56 C26_56 1.403(8) . ?
C22_56 C23_56 1.350(7) . ?
C22_56 H22_56 0.9500 . ?
C23_56 C24_56 1.313(8) . ?
C23_56 H23_56 0.9500 . ?
C24_56 C25_56 1.421(8) . ?
C24_56 C27_56 1.482(8) . ?
C25_56 C26_56 1.348(7) . ?
C25_56 H25_56 0.9500 . ?
C26_56 H26_56 0.9500 . ?
C27_56 O5_56 1.250(7) . ?
C27_56 O6_56 1.299(7) . ?
O2_56 H2A_56 0.8400 . ?
O3_56 H3A_56 0.8400 . ?
O6_56 H6A_56 0.8400 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2_1 C1_1 C6_1 118.6(6) . . ?
C2_1 C1_1 C7_1 120.2(5) . . ?
C6_1 C1_1 C7_1 121.2(5) . . ?
C1_1 C2_1 C3_1 121.3(5) . . ?
C1_1 C2_1 H2_1 119.3 . . ?
C3_1 C2_1 H2_1 119.3 . . ?
C4_1 C3_1 C2_1 119.6(5) . . ?
C4_1 C3_1 C14_1 119.9(5) . . ?
C2_1 C3_1 C14_1 120.5(5) . . ?
C3_1 C4_1 C5_1 120.4(6) . . ?
C3_1 C4_1 H4_1 119.8 . . ?
C5_1 C4_1 H4_1 119.8 . . ?
C6_1 C5_1 C4_1 119.6(5) . . ?
C6_1 C5_1 C21_1 120.2(5) . . ?
C4_1 C5_1 C21_1 120.0(5) . . ?
C5_1 C6_1 C1_1 120.3(5) . . ?
C5_1 C6_1 H6_1 119.8 . . ?
C1_1 C6_1 H6_1 119.8 . . ?
C12_1 C7_1 C8_1 116.2(6) . . ?
C12_1 C7_1 C1_1 121.6(5) . . ?
C8_1 C7_1 C1_1 122.2(5) . . ?
C9_1 C8_1 C7_1 121.9(6) . . ?
C9_1 C8_1 H8_1 119.0 . . ?
C7_1 C8_1 H8_1 119.0 . . ?
C8_1 C9_1 C10_1 120.5(5) . . ?
C8_1 C9_1 H9_1 119.8 . . ?
C10_1 C9_1 H9_1 119.8 . . ?
C11_1 C10_1 C9_1 119.1(6) . . ?
C11_1 C10_1 C13_1 123.2(5) . . ?
C9_1 C10_1 C13_1 117.8(5) . . ?
C10_1 C11_1 C12_1 120.6(5) . . ?
C10_1 C11_1 H11_1 119.7 . . ?
C12_1 C11_1 H11_1 119.7 . . ?
C11_1 C12_1 C7_1 121.7(5) . . ?
C11_1 C12_1 H12_1 119.1 . . ?
C7_1 C12_1 H12_1 119.1 . . ?
O1_1 C13_1 O2_1 123.8(6) . . ?
O1_1 C13_1 C10_1 122.4(5) . . ?
O2_1 C13_1 C10_1 113.8(5) . . ?
C15_1 C14_1 C19_1 120.4(6) . . ?
C15_1 C14_1 C3_1 120.2(5) . . ?
C19_1 C14_1 C3_1 119.5(6) . . ?
C14_1 C15_1 C16_1 121.1(6) . . ?
C14_1 C15_1 H15_1 119.5 . . ?
C16_1 C15_1 H15_1 119.5 . . ?
C17_1 C16_1 C15_1 119.1(7) . . ?
C17_1 C16_1 H16_1 120.4 . . ?
C15_1 C16_1 H16_1 120.4 . . ?
C16_1 C17_1 C18_1 121.1(6) . . ?
C16_1 C17_1 C20_1 121.9(7) . . ?
C18_1 C17_1 C20_1 116.9(6) . . ?
C17_1 C18_1 C19_1 119.5(6) . . ?
C17_1 C18_1 H18_1 120.2 . . ?
C19_1 C18_1 H18_1 120.2 . . ?
C14_1 C19_1 C18_1 118.8(6) . . ?
C14_1 C19_1 H19_1 120.6 . . ?
C18_1 C19_1 H19_1 120.6 . . ?
O4_1 C20_1 O3_1 122.7(6) . . ?
O4_1 C20_1 C17_1 121.2(7) . . ?
O3_1 C20_1 C17_1 116.1(6) . . ?
C22_1 C21_1 C26_1 118.7(5) . . ?
C22_1 C21_1 C5_1 122.4(6) . . ?
C26_1 C21_1 C5_1 118.9(5) . . ?
C21_1 C22_1 C23_1 120.0(6) . . ?
C21_1 C22_1 H22_1 120.0 . . ?
C23_1 C22_1 H22_1 120.0 . . ?
C22_1 C23_1 C24_1 121.4(5) . . ?
C22_1 C23_1 H23_1 119.3 . . ?
C24_1 C23_1 H23_1 119.3 . . ?
C25_1 C24_1 C27_1 124.0(6) . . ?
C25_1 C24_1 C23_1 117.5(5) . . ?
C27_1 C24_1 C23_1 118.4(6) . . ?
C24_1 C25_1 C26_1 123.7(6) . . ?
C24_1 C25_1 H25_1 118.1 . . ?
C26_1 C25_1 H25_1 118.1 . . ?
C25_1 C26_1 C21_1 118.5(6) . . ?
C25_1 C26_1 H26_1 120.7 . . ?
C21_1 C26_1 H26_1 120.7 . . ?
O5_1 C27_1 O6_1 120.6(6) . . ?
O5_1 C27_1 C24_1 123.6(7) . . ?
O6_1 C27_1 C24_1 115.8(6) . . ?
C13_1 O2_1 H2A_1 109.5 . . ?
C20_1 O3_1 H3A_1 109.5 . . ?
C27_1 O6_1 H6A_1 109.5 . . ?
C2_2 C1_2 C6_2 117.3(6) . . ?
C2_2 C1_2 C7_2 122.4(5) . . ?
C6_2 C1_2 C7_2 120.3(5) . . ?
C1_2 C2_2 C3_2 122.0(5) . . ?
C1_2 C2_2 H2_2 119.0 . . ?
C3_2 C2_2 H2_2 119.0 . . ?
C2_2 C3_2 C4_2 118.6(5) . . ?
C2_2 C3_2 C14_2 121.0(5) . . ?
C4_2 C3_2 C14_2 120.3(5) . . ?
C5_2 C4_2 C3_2 120.4(6) . . ?
C5_2 C4_2 H4_2 119.8 . . ?
C3_2 C4_2 H4_2 119.8 . . ?
C6_2 C5_2 C4_2 119.8(5) . . ?
C6_2 C5_2 C21_2 120.1(5) . . ?
C4_2 C5_2 C21_2 120.1(5) . . ?
C5_2 C6_2 C1_2 121.8(5) . . ?
C5_2 C6_2 H6_2 119.1 . . ?
C1_2 C6_2 H6_2 119.1 . . ?
C12_2 C7_2 C8_2 116.7(6) . . ?
C12_2 C7_2 C1_2 123.1(5) . . ?
C8_2 C7_2 C1_2 120.2(5) . . ?
C9_2 C8_2 C7_2 122.6(6) . . ?
C9_2 C8_2 H8_2 118.7 . . ?
C7_2 C8_2 H8_2 118.7 . . ?
C8_2 C9_2 C10_2 118.2(5) . . ?
C8_2 C9_2 H9_2 120.9 . . ?
C10_2 C9_2 H9_2 120.9 . . ?
C11_2 C10_2 C9_2 121.1(6) . . ?
C11_2 C10_2 C13_2 119.5(6) . . ?
C9_2 C10_2 C13_2 119.3(6) . . ?
C10_2 C11_2 C12_2 118.6(6) . . ?
C10_2 C11_2 H11_2 120.7 . . ?
C12_2 C11_2 H11_2 120.7 . . ?
C7_2 C12_2 C11_2 122.7(6) . . ?
C7_2 C12_2 H12_2 118.6 . . ?
C11_2 C12_2 H12_2 118.6 . . ?
O2_2 C13_2 O1_2 125.4(6) . . ?
O2_2 C13_2 C10_2 118.4(6) . . ?
O1_2 C13_2 C10_2 116.2(6) . . ?
C15_2 C14_2 C19_2 120.5(6) . . ?
C15_2 C14_2 C3_2 122.0(5) . . ?
C19_2 C14_2 C3_2 117.1(6) . . ?
C16_2 C15_2 C14_2 118.6(6) . . ?
C16_2 C15_2 H15_2 120.7 . . ?
C14_2 C15_2 H15_2 120.7 . . ?
C15_2 C16_2 C17_2 120.9(6) . . ?
C15_2 C16_2 H16_2 119.6 . . ?
C17_2 C16_2 H16_2 119.6 . . ?
C18_2 C17_2 C16_2 120.0(6) . . ?
C18_2 C17_2 C20_2 120.1(6) . . ?
C16_2 C17_2 C20_2 119.7(6) . . ?
C17_2 C18_2 C19_2 121.4(6) . . ?
C17_2 C18_2 H18_2 119.3 . . ?
C19_2 C18_2 H18_2 119.3 . . ?
C18_2 C19_2 C14_2 118.3(6) . . ?
C18_2 C19_2 H19_2 120.9 . . ?
C14_2 C19_2 H19_2 120.9 . . ?
O4_2 C20_2 O3_2 123.0(6) . . ?
O4_2 C20_2 C17_2 119.7(7) . . ?
O3_2 C20_2 C17_2 117.1(6) . . ?
C22_2 C21_2 C26_2 116.0(5) . . ?
C22_2 C21_2 C5_2 123.1(6) . . ?
C26_2 C21_2 C5_2 120.9(5) . . ?
C21_2 C22_2 C23_2 124.0(6) . . ?
C21_2 C22_2 H22_2 118.0 . . ?
C23_2 C22_2 H22_2 118.0 . . ?
C22_2 C23_2 C24_2 117.5(6) . . ?
C22_2 C23_2 H23_2 121.2 . . ?
C24_2 C23_2 H23_2 121.2 . . ?
C23_2 C24_2 C25_2 121.1(6) . . ?
C23_2 C24_2 C27_2 120.0(6) . . ?
C25_2 C24_2 C27_2 118.7(6) . . ?
C26_2 C25_2 C24_2 116.5(6) . . ?
C26_2 C25_2 H25_2 121.7 . . ?
C24_2 C25_2 H25_2 121.7 . . ?
C25_2 C26_2 C21_2 124.6(6) . . ?
C25_2 C26_2 H26_2 117.7 . . ?
C21_2 C26_2 H26_2 117.7 . . ?
O5_2 C27_2 O6_2 125.0(5) . . ?
O5_2 C27_2 C24_2 119.6(6) . . ?
O6_2 C27_2 C24_2 115.4(6) . . ?
C13_2 O1_2 H1A_2 109.5 . . ?
C20_2 O3_2 H3A_2 109.5 . . ?
C27_2 O6_2 H6A_2 109.5 . . ?
C2_3 C1_3 C6_3 116.6(6) . . ?
C2_3 C1_3 C7_3 122.6(5) . . ?
C6_3 C1_3 C7_3 120.8(5) . . ?
C3_3 C2_3 C1_3 122.9(5) . . ?
C3_3 C2_3 H2_3 118.5 . . ?
C1_3 C2_3 H2_3 118.5 . . ?
C2_3 C3_3 C4_3 119.5(5) . . ?
C2_3 C3_3 C14_3 121.3(5) . . ?
C4_3 C3_3 C14_3 119.2(5) . . ?
C5_3 C4_3 C3_3 119.5(6) . . ?
C5_3 C4_3 H4_3 120.2 . . ?
C3_3 C4_3 H4_3 120.2 . . ?
C6_3 C5_3 C4_3 119.2(5) . . ?
C6_3 C5_3 C21_3 120.9(5) . . ?
C4_3 C5_3 C21_3 119.9(5) . . ?
C5_3 C6_3 C1_3 122.2(6) . . ?
C5_3 C6_3 H6_3 118.9 . . ?
C1_3 C6_3 H6_3 118.9 . . ?
C12_3 C7_3 C8_3 116.8(6) . . ?
C12_3 C7_3 C1_3 122.9(5) . . ?
C8_3 C7_3 C1_3 120.3(6) . . ?
C9_3 C8_3 C7_3 120.6(6) . . ?
C9_3 C8_3 H8_3 119.7 . . ?
C7_3 C8_3 H8_3 119.7 . . ?
C10_3 C9_3 C8_3 121.0(6) . . ?
C10_3 C9_3 H9_3 119.5 . . ?
C8_3 C9_3 H9_3 119.5 . . ?
C9_3 C10_3 C11_3 117.1(6) . . ?
C9_3 C10_3 C13_3 120.9(6) . . ?
C11_3 C10_3 C13_3 122.0(6) . . ?
C12_3 C11_3 C10_3 123.3(6) . . ?
C12_3 C11_3 H11_3 118.4 . . ?
C10_3 C11_3 H11_3 118.4 . . ?
C11_3 C12_3 C7_3 121.1(6) . . ?
C11_3 C12_3 H12_3 119.5 . . ?
C7_3 C12_3 H12_3 119.5 . . ?
O1_3 C13_3 O2_3 120.8(6) . . ?
O1_3 C13_3 C10_3 119.1(6) . . ?
O2_3 C13_3 C10_3 120.0(6) . . ?
C15_3 C14_3 C19_3 118.4(5) . . ?
C15_3 C14_3 C3_3 122.7(5) . . ?
C19_3 C14_3 C3_3 118.8(5) . . ?
C16_3 C15_3 C14_3 121.6(5) . . ?
C16_3 C15_3 H15_3 119.2 . . ?
C14_3 C15_3 H15_3 119.2 . . ?
C17_3 C16_3 C15_3 119.8(6) . . ?
C17_3 C16_3 H16_3 120.1 . . ?
C15_3 C16_3 H16_3 120.1 . . ?
C16_3 C17_3 C18_3 120.5(6) . . ?
C16_3 C17_3 C20_3 120.1(6) . . ?
C18_3 C17_3 C20_3 119.5(6) . . ?
C19_3 C18_3 C17_3 118.9(6) . . ?
C19_3 C18_3 H18_3 120.6 . . ?
C17_3 C18_3 H18_3 120.6 . . ?
C18_3 C19_3 C14_3 120.7(6) . . ?
C18_3 C19_3 H19_3 119.6 . . ?
C14_3 C19_3 H19_3 119.6 . . ?
O3_3 C20_3 O4_3 124.1(6) . . ?
O3_3 C20_3 C17_3 116.9(6) . . ?
O4_3 C20_3 C17_3 118.9(7) . . ?
C26_3 C21_3 C22_3 120.9(5) . . ?
C26_3 C21_3 C5_3 120.1(5) . . ?
C22_3 C21_3 C5_3 119.0(5) . . ?
C21_3 C22_3 C23_3 118.6(6) . . ?
C21_3 C22_3 H22_3 120.7 . . ?
C23_3 C22_3 H22_3 120.7 . . ?
C24_3 C23_3 C22_3 120.1(5) . . ?
C24_3 C23_3 H23_3 120.0 . . ?
C22_3 C23_3 H23_3 120.0 . . ?
C23_3 C24_3 C25_3 121.9(5) . . ?
C23_3 C24_3 C27_3 119.0(5) . . ?
C25_3 C24_3 C27_3 119.1(6) . . ?
C24_3 C25_3 C26_3 117.8(6) . . ?
C24_3 C25_3 H25_3 121.1 . . ?
C26_3 C25_3 H25_3 121.1 . . ?
C21_3 C26_3 C25_3 120.7(6) . . ?
C21_3 C26_3 H26_3 119.6 . . ?
C25_3 C26_3 H26_3 119.6 . . ?
O5_3 C27_3 O6_3 124.5(5) . . ?
O5_3 C27_3 C24_3 119.9(6) . . ?
O6_3 C27_3 C24_3 115.6(5) . . ?
C13_3 O1_3 H2B_3 109.5 . . ?
C13_3 O2_3 H2A_3 109.5 . . ?
C20_3 O3_3 H3A_3 109.5 . . ?
C27_3 O6_3 H6A_3 109.5 . . ?
C2_4 C1_4 C6_4 119.6(6) . . ?
C2_4 C1_4 C7_4 120.6(5) . . ?
C6_4 C1_4 C7_4 119.8(5) . . ?
C3_4 C2_4 C1_4 120.2(5) . . ?
C3_4 C2_4 H2_4 119.9 . . ?
C1_4 C2_4 H2_4 119.9 . . ?
C2_4 C3_4 C4_4 119.7(5) . . ?
C2_4 C3_4 C14_4 120.3(5) . . ?
C4_4 C3_4 C14_4 119.9(5) . . ?
C5_4 C4_4 C3_4 120.6(6) . . ?
C5_4 C4_4 H4_4 119.7 . . ?
C3_4 C4_4 H4_4 119.7 . . ?
C6_4 C5_4 C4_4 119.3(5) . . ?
C6_4 C5_4 C21_4 120.2(5) . . ?
C4_4 C5_4 C21_4 120.4(6) . . ?
C5_4 C6_4 C1_4 120.1(5) . . ?
C5_4 C6_4 H6_4 119.9 . . ?
C1_4 C6_4 H6_4 119.9 . . ?
C8_4 C7_4 C12_4 119.2(6) . . ?
C8_4 C7_4 C1_4 119.6(5) . . ?
C12_4 C7_4 C1_4 121.3(5) . . ?
C7_4 C8_4 C9_4 122.0(6) . . ?
C7_4 C8_4 H8_4 119.0 . . ?
C9_4 C8_4 H8_4 119.0 . . ?
C8_4 C9_4 C10_4 119.3(6) . . ?
C8_4 C9_4 H9_4 120.4 . . ?
C10_4 C9_4 H9_4 120.4 . . ?
C9_4 C10_4 C11_4 117.5(6) . . ?
C9_4 C10_4 C13_4 120.5(5) . . ?
C11_4 C10_4 C13_4 121.9(6) . . ?
C12_4 C11_4 C10_4 120.9(5) . . ?
C12_4 C11_4 H11_4 119.5 . . ?
C10_4 C11_4 H11_4 119.5 . . ?
C11_4 C12_4 C7_4 121.0(6) . . ?
C11_4 C12_4 H12_4 119.5 . . ?
C7_4 C12_4 H12_4 119.5 . . ?
O2_4 C13_4 O1_4 123.5(6) . . ?
O2_4 C13_4 C10_4 120.5(6) . . ?
O1_4 C13_4 C10_4 116.0(5) . . ?
C15_4 C14_4 C19_4 118.7(5) . . ?
C15_4 C14_4 C3_4 121.1(5) . . ?
C19_4 C14_4 C3_4 120.0(5) . . ?
C16_4 C15_4 C14_4 122.1(6) . . ?
C16_4 C15_4 H15_4 119.0 . . ?
C14_4 C15_4 H15_4 119.0 . . ?
C15_4 C16_4 C17_4 117.9(6) . . ?
C15_4 C16_4 H16_4 121.0 . . ?
C17_4 C16_4 H16_4 121.0 . . ?
C18_4 C17_4 C16_4 122.2(6) . . ?
C18_4 C17_4 C20_4 120.0(6) . . ?
C16_4 C17_4 C20_4 117.8(6) . . ?
C17_4 C18_4 C19_4 118.1(6) . . ?
C17_4 C18_4 H18_4 120.9 . . ?
C19_4 C18_4 H18_4 120.9 . . ?
C18_4 C19_4 C14_4 120.9(6) . . ?
C18_4 C19_4 H19_4 119.6 . . ?
C14_4 C19_4 H19_4 119.6 . . ?
O3_4 C20_4 O4_4 121.2(6) . . ?
O3_4 C20_4 C17_4 120.0(6) . . ?
O4_4 C20_4 C17_4 118.7(6) . . ?
C26_4 C21_4 C22_4 120.0(5) . . ?
C26_4 C21_4 C5_4 121.8(5) . . ?
C22_4 C21_4 C5_4 118.2(6) . . ?
C23_4 C22_4 C21_4 117.2(6) . . ?
C23_4 C22_4 H22_4 121.4 . . ?
C21_4 C22_4 H22_4 121.4 . . ?
C24_4 C23_4 C22_4 122.2(6) . . ?
C24_4 C23_4 H23_4 118.9 . . ?
C22_4 C23_4 H23_4 118.9 . . ?
C25_4 C24_4 C23_4 117.1(6) . . ?
C25_4 C24_4 C27_4 122.6(6) . . ?
C23_4 C24_4 C27_4 120.3(6) . . ?
C24_4 C25_4 C26_4 121.9(6) . . ?
C24_4 C25_4 H25_4 119.0 . . ?
C26_4 C25_4 H25_4 119.0 . . ?
C21_4 C26_4 C25_4 121.4(5) . . ?
C21_4 C26_4 H26_4 119.3 . . ?
C25_4 C26_4 H26_4 119.3 . . ?
O5_4 C27_4 O6_4 124.0(6) . . ?
O5_4 C27_4 C24_4 118.2(7) . . ?
O6_4 C27_4 C24_4 117.7(6) . . ?
C13_4 O1_4 H1A_4 109.5 . . ?
C20_4 O3_4 H3A_4 109.5 . . ?
C27_4 O6_4 H6A_4 109.5 . . ?
C6_5 C1_5 C2_5 118.8(6) . . ?
C6_5 C1_5 C7_5 121.6(5) . . ?
C2_5 C1_5 C7_5 119.4(5) . . ?
C3_5 C2_5 C1_5 120.7(5) . . ?
C3_5 C2_5 H2_5 119.7 . . ?
C1_5 C2_5 H2_5 119.7 . . ?
C4_5 C3_5 C2_5 119.9(5) . . ?
C4_5 C3_5 C14_5 120.1(6) . . ?
C2_5 C3_5 C14_5 119.9(5) . . ?
C3_5 C4_5 C5_5 120.6(6) . . ?
C3_5 C4_5 H4_5 119.7 . . ?
C5_5 C4_5 H4_5 119.7 . . ?
C6_5 C5_5 C4_5 118.0(5) . . ?
C6_5 C5_5 C21_5 122.0(5) . . ?
C4_5 C5_5 C21_5 119.9(6) . . ?
C1_5 C6_5 C5_5 121.7(5) . . ?
C1_5 C6_5 H6_5 119.2 . . ?
C5_5 C6_5 H6_5 119.2 . . ?
C8_5 C7_5 C12_5 117.4(6) . . ?
C8_5 C7_5 C1_5 122.0(5) . . ?
C12_5 C7_5 C1_5 120.5(5) . . ?
C7_5 C8_5 C9_5 122.9(6) . . ?
C7_5 C8_5 H8_5 118.6 . . ?
C9_5 C8_5 H8_5 118.6 . . ?
C8_5 C9_5 C10_5 118.3(6) . . ?
C8_5 C9_5 H9_5 120.9 . . ?
C10_5 C9_5 H9_5 120.9 . . ?
C11_5 C10_5 C9_5 122.5(6) . . ?
C11_5 C10_5 C13_5 118.7(5) . . ?
C9_5 C10_5 C13_5 118.7(5) . . ?
C10_5 C11_5 C12_5 118.0(6) . . ?
C10_5 C11_5 H11_5 121.0 . . ?
C12_5 C11_5 H11_5 121.0 . . ?
C11_5 C12_5 C7_5 120.5(6) . . ?
C11_5 C12_5 H12_5 119.8 . . ?
C7_5 C12_5 H12_5 119.8 . . ?
O2_5 C13_5 O1_5 126.0(7) . . ?
O2_5 C13_5 C10_5 118.6(5) . . ?
O1_5 C13_5 C10_5 115.4(5) . . ?
C19_5 C14_5 C15_5 120.3(5) . . ?
C19_5 C14_5 C3_5 118.9(6) . . ?
C15_5 C14_5 C3_5 120.6(5) . . ?
C14_5 C15_5 C16_5 119.9(6) . . ?
C14_5 C15_5 H15_5 120.1 . . ?
C16_5 C15_5 H15_5 120.1 . . ?
C17_5 C16_5 C15_5 117.7(6) . . ?
C17_5 C16_5 H16_5 121.1 . . ?
C15_5 C16_5 H16_5 121.1 . . ?
C18_5 C17_5 C16_5 122.5(5) . . ?
C18_5 C17_5 C20_5 121.8(5) . . ?
C16_5 C17_5 C20_5 115.6(6) . . ?
C17_5 C18_5 C19_5 119.5(6) . . ?
C17_5 C18_5 H18_5 120.3 . . ?
C19_5 C18_5 H18_5 120.3 . . ?
C14_5 C19_5 C18_5 119.9(6) . . ?
C14_5 C19_5 H19_5 120.1 . . ?
C18_5 C19_5 H19_5 120.1 . . ?
O3_5 C20_5 O4_5 125.2(6) . . ?
O3_5 C20_5 C17_5 118.6(5) . . ?
O4_5 C20_5 C17_5 116.2(6) . . ?
C22_5 C21_5 C26_5 120.0(5) . . ?
C22_5 C21_5 C5_5 120.1(5) . . ?
C26_5 C21_5 C5_5 119.7(5) . . ?
C21_5 C22_5 C23_5 120.9(6) . . ?
C21_5 C22_5 H22_5 119.5 . . ?
C23_5 C22_5 H22_5 119.5 . . ?
C24_5 C23_5 C22_5 119.4(6) . . ?
C24_5 C23_5 H23_5 120.3 . . ?
C22_5 C23_5 H23_5 120.3 . . ?
C23_5 C24_5 C25_5 119.4(5) . . ?
C23_5 C24_5 C27_5 121.1(6) . . ?
C25_5 C24_5 C27_5 119.5(6) . . ?
C26_5 C25_5 C24_5 121.5(6) . . ?
C26_5 C25_5 H25_5 119.2 . . ?
C24_5 C25_5 H25_5 119.2 . . ?
C25_5 C26_5 C21_5 118.7(5) . . ?
C25_5 C26_5 H26_5 120.6 . . ?
C21_5 C26_5 H26_5 120.6 . . ?
O6_5 C27_5 O5_5 125.2(6) . . ?
O6_5 C27_5 C24_5 118.4(6) . . ?
O5_5 C27_5 C24_5 116.4(6) . . ?
C13_5 O2_5 H2A_5 109.5 . . ?
C20_5 O3_5 H3A_5 109.5 . . ?
C27_5 O6_5 H6A_5 109.5 . . ?
C6_6 C1_6 C2_6 120.7(5) . . ?
C6_6 C1_6 C7_6 120.3(5) . . ?
C2_6 C1_6 C7_6 118.9(5) . . ?
C3_6 C2_6 C1_6 120.3(5) . . ?
C3_6 C2_6 H2_6 119.9 . . ?
C1_6 C2_6 H2_6 119.9 . . ?
C2_6 C3_6 C4_6 120.5(5) . . ?
C2_6 C3_6 C14_6 119.3(5) . . ?
C4_6 C3_6 C14_6 119.9(5) . . ?
C3_6 C4_6 C5_6 119.2(5) . . ?
C3_6 C4_6 H4_6 120.4 . . ?
C5_6 C4_6 H4_6 120.4 . . ?
C6_6 C5_6 C4_6 120.2(5) . . ?
C6_6 C5_6 C21_6 120.6(5) . . ?
C4_6 C5_6 C21_6 119.0(5) . . ?
C1_6 C6_6 C5_6 118.9(5) . . ?
C1_6 C6_6 H6_6 120.6 . . ?
C5_6 C6_6 H6_6 120.6 . . ?
C8_6 C7_6 C12_6 117.6(5) . . ?
C8_6 C7_6 C1_6 122.1(5) . . ?
C12_6 C7_6 C1_6 120.3(5) . . ?
C9_6 C8_6 C7_6 121.2(6) . . ?
C9_6 C8_6 H8_6 119.4 . . ?
C7_6 C8_6 H8_6 119.4 . . ?
C8_6 C9_6 C10_6 121.8(6) . . ?
C8_6 C9_6 H9_6 119.1 . . ?
C10_6 C9_6 H9_6 119.1 . . ?
C11_6 C10_6 C9_6 117.8(6) . . ?
C11_6 C10_6 C13_6 120.6(6) . . ?
C9_6 C10_6 C13_6 121.6(6) . . ?
C10_6 C11_6 C12_6 122.1(6) . . ?
C10_6 C11_6 H11_6 118.9 . . ?
C12_6 C11_6 H11_6 118.9 . . ?
C11_6 C12_6 C7_6 119.3(5) . . ?
C11_6 C12_6 H12_6 120.3 . . ?
C7_6 C12_6 H12_6 120.3 . . ?
O2_6 C13_6 O1_6 124.6(6) . . ?
O2_6 C13_6 C10_6 119.3(5) . . ?
O1_6 C13_6 C10_6 116.1(6) . . ?
C19_6 C14_6 C15_6 119.4(5) . . ?
C19_6 C14_6 C3_6 120.6(6) . . ?
C15_6 C14_6 C3_6 120.0(5) . . ?
C16_6 C15_6 C14_6 118.8(5) . . ?
C16_6 C15_6 H15_6 120.6 . . ?
C14_6 C15_6 H15_6 120.6 . . ?
C17_6 C16_6 C15_6 120.6(6) . . ?
C17_6 C16_6 H16_6 119.7 . . ?
C15_6 C16_6 H16_6 119.7 . . ?
C16_6 C17_6 C18_6 120.2(5) . . ?
C16_6 C17_6 C20_6 121.0(6) . . ?
C18_6 C17_6 C20_6 118.9(5) . . ?
C17_6 C18_6 C19_6 120.2(5) . . ?
C17_6 C18_6 H18_6 119.9 . . ?
C19_6 C18_6 H18_6 119.9 . . ?
C14_6 C19_6 C18_6 120.8(6) . . ?
C14_6 C19_6 H19_6 119.6 . . ?
C18_6 C19_6 H19_6 119.6 . . ?
O4_6 C20_6 O3_6 124.5(6) . . ?
O4_6 C20_6 C17_6 120.5(6) . . ?
O3_6 C20_6 C17_6 114.9(5) . . ?
C26_6 C21_6 C22_6 117.5(5) . . ?
C26_6 C21_6 C5_6 120.4(5) . . ?
C22_6 C21_6 C5_6 122.0(5) . . ?
C23_6 C22_6 C21_6 121.9(5) . . ?
C23_6 C22_6 H22_6 119.1 . . ?
C21_6 C22_6 H22_6 119.1 . . ?
C22_6 C23_6 C24_6 119.4(5) . . ?
C22_6 C23_6 H23_6 120.3 . . ?
C24_6 C23_6 H23_6 120.3 . . ?
C23_6 C24_6 C25_6 120.4(5) . . ?
C23_6 C24_6 C27_6 121.3(6) . . ?
C25_6 C24_6 C27_6 118.3(6) . . ?
C26_6 C25_6 C24_6 118.7(6) . . ?
C26_6 C25_6 H25_6 120.6 . . ?
C24_6 C25_6 H25_6 120.6 . . ?
C25_6 C26_6 C21_6 122.1(5) . . ?
C25_6 C26_6 H26_6 119.0 . . ?
C21_6 C26_6 H26_6 119.0 . . ?
O5_6 C27_6 O6_6 122.6(6) . . ?
O5_6 C27_6 C24_6 119.6(6) . . ?
O6_6 C27_6 C24_6 117.8(6) . . ?
C13_6 O2_6 H2A_6 109.5 . . ?
C20_6 O3_6 H3A_6 109.5 . . ?
C27_6 O6_6 H6A_6 109.5 . . ?
C2_7 C1_7 C6_7 117.3(6) . . ?
C2_7 C1_7 C7_7 120.2(5) . . ?
C6_7 C1_7 C7_7 122.5(5) . . ?
C1_7 C2_7 C3_7 121.3(5) . . ?
C1_7 C2_7 H2_7 119.3 . . ?
C3_7 C2_7 H2_7 119.3 . . ?
C4_7 C3_7 C2_7 119.4(5) . . ?
C4_7 C3_7 C14_7 120.3(5) . . ?
C2_7 C3_7 C14_7 120.1(5) . . ?
C3_7 C4_7 C5_7 121.2(6) . . ?
C3_7 C4_7 H4_7 119.4 . . ?
C5_7 C4_7 H4_7 119.4 . . ?
C6_7 C5_7 C4_7 117.9(5) . . ?
C6_7 C5_7 C21_7 122.0(5) . . ?
C4_7 C5_7 C21_7 120.1(6) . . ?
C5_7 C6_7 C1_7 122.8(5) . . ?
C5_7 C6_7 H6_7 118.6 . . ?
C1_7 C6_7 H6_7 118.6 . . ?
C12_7 C7_7 C8_7 117.5(6) . . ?
C12_7 C7_7 C1_7 120.9(5) . . ?
C8_7 C7_7 C1_7 121.6(5) . . ?
C9_7 C8_7 C7_7 121.2(6) . . ?
C9_7 C8_7 H8_7 119.4 . . ?
C7_7 C8_7 H8_7 119.4 . . ?
C10_7 C9_7 C8_7 120.5(6) . . ?
C10_7 C9_7 H9_7 119.8 . . ?
C8_7 C9_7 H9_7 119.8 . . ?
C9_7 C10_7 C11_7 120.4(6) . . ?
C9_7 C10_7 C13_7 121.0(6) . . ?
C11_7 C10_7 C13_7 118.6(6) . . ?
C10_7 C11_7 C12_7 120.2(6) . . ?
C10_7 C11_7 H11_7 119.9 . . ?
C12_7 C11_7 H11_7 119.9 . . ?
C11_7 C12_7 C7_7 120.2(6) . . ?
C11_7 C12_7 H12_7 119.9 . . ?
C7_7 C12_7 H12_7 119.9 . . ?
O2_7 C13_7 O1_7 126.2(7) . . ?
O2_7 C13_7 C10_7 119.7(6) . . ?
O1_7 C13_7 C10_7 114.1(6) . . ?
C19_7 C14_7 C15_7 120.9(5) . . ?
C19_7 C14_7 C3_7 117.7(6) . . ?
C15_7 C14_7 C3_7 121.2(5) . . ?
C16_7 C15_7 C14_7 119.0(6) . . ?
C16_7 C15_7 H15_7 120.5 . . ?
C14_7 C15_7 H15_7 120.5 . . ?
C15_7 C16_7 C17_7 123.9(6) . . ?
C15_7 C16_7 H16_7 118.0 . . ?
C17_7 C16_7 H16_7 118.0 . . ?
C16_7 C17_7 C18_7 116.4(6) . . ?
C16_7 C17_7 C20_7 125.5(6) . . ?
C18_7 C17_7 C20_7 118.1(6) . . ?
C19_7 C18_7 C17_7 122.0(6) . . ?
C19_7 C18_7 H18_7 119.0 . . ?
C17_7 C18_7 H18_7 119.0 . . ?
C18_7 C19_7 C14_7 117.7(6) . . ?
C18_7 C19_7 H19_7 121.2 . . ?
C14_7 C19_7 H19_7 121.2 . . ?
O4_7 C20_7 O3_7 123.6(6) . . ?
O4_7 C20_7 C17_7 121.2(7) . . ?
O3_7 C20_7 C17_7 115.0(6) . . ?
C22_7 C21_7 C26_7 116.3(6) . . ?
C22_7 C21_7 C5_7 123.8(6) . . ?
C26_7 C21_7 C5_7 119.9(5) . . ?
C21_7 C22_7 C23_7 122.9(6) . . ?
C21_7 C22_7 H22_7 118.6 . . ?
C23_7 C22_7 H22_7 118.6 . . ?
C24_7 C23_7 C22_7 119.0(6) . . ?
C24_7 C23_7 H23_7 120.5 . . ?
C22_7 C23_7 H23_7 120.5 . . ?
C23_7 C24_7 C25_7 119.6(6) . . ?
C23_7 C24_7 C27_7 118.8(6) . . ?
C25_7 C24_7 C27_7 121.5(6) . . ?
C26_7 C25_7 C24_7 119.8(7) . . ?
C26_7 C25_7 H25_7 120.1 . . ?
C24_7 C25_7 H25_7 120.1 . . ?
C25_7 C26_7 C21_7 122.4(6) . . ?
C25_7 C26_7 H26_7 118.8 . . ?
C21_7 C26_7 H26_7 118.8 . . ?
O5_7 C27_7 O6_7 121.6(6) . . ?
O5_7 C27_7 C24_7 123.9(7) . . ?
O6_7 C27_7 C24_7 114.3(6) . . ?
C13_7 O2_7 H2A_7 109.5 . . ?
C20_7 O3_7 H3A_7 109.5 . . ?
C27_7 O6_7 H6A_7 109.5 . . ?
C6_8 C1_8 C2_8 116.1(5) . . ?
C6_8 C1_8 C7_8 122.3(5) . . ?
C2_8 C1_8 C7_8 121.6(5) . . ?
C3_8 C2_8 C1_8 122.2(5) . . ?
C3_8 C2_8 H2_8 118.9 . . ?
C1_8 C2_8 H2_8 118.9 . . ?
C2_8 C3_8 C4_8 120.3(5) . . ?
C2_8 C3_8 C14_8 122.0(5) . . ?
C4_8 C3_8 C14_8 117.7(5) . . ?
C3_8 C4_8 C5_8 118.5(6) . . ?
C3_8 C4_8 H4_8 120.7 . . ?
C5_8 C4_8 H4_8 120.7 . . ?
C6_8 C5_8 C4_8 119.1(5) . . ?
C6_8 C5_8 C21_8 120.6(5) . . ?
C4_8 C5_8 C21_8 120.3(5) . . ?
C1_8 C6_8 C5_8 123.9(5) . . ?
C1_8 C6_8 H6_8 118.1 . . ?
C5_8 C6_8 H6_8 118.1 . . ?
C12_8 C7_8 C8_8 120.2(5) . . ?
C12_8 C7_8 C1_8 120.0(5) . . ?
C8_8 C7_8 C1_8 119.7(5) . . ?
C7_8 C8_8 C9_8 118.8(5) . . ?
C7_8 C8_8 H8_8 120.6 . . ?
C9_8 C8_8 H8_8 120.6 . . ?
C10_8 C9_8 C8_8 122.1(5) . . ?
C10_8 C9_8 H9_8 118.9 . . ?
C8_8 C9_8 H9_8 118.9 . . ?
C9_8 C10_8 C11_8 118.9(5) . . ?
C9_8 C10_8 C13_8 123.7(5) . . ?
C11_8 C10_8 C13_8 117.4(5) . . ?
C12_8 C11_8 C10_8 119.0(5) . . ?
C12_8 C11_8 H11_8 120.5 . . ?
C10_8 C11_8 H11_8 120.5 . . ?
C7_8 C12_8 C11_8 121.0(5) . . ?
C7_8 C12_8 H12_8 119.5 . . ?
C11_8 C12_8 H12_8 119.5 . . ?
O2_8 C13_8 O1_8 121.4(6) . . ?
O2_8 C13_8 C10_8 123.3(5) . . ?
O1_8 C13_8 C10_8 115.3(5) . . ?
C15_8 C14_8 C19_8 118.5(5) . . ?
C15_8 C14_8 C3_8 121.9(5) . . ?
C19_8 C14_8 C3_8 119.6(5) . . ?
C16_8 C15_8 C14_8 120.2(6) . . ?
C16_8 C15_8 H15_8 119.9 . . ?
C14_8 C15_8 H15_8 119.9 . . ?
C17_8 C16_8 C15_8 121.9(6) . . ?
C17_8 C16_8 H16_8 119.0 . . ?
C15_8 C16_8 H16_8 119.0 . . ?
C16_8 C17_8 C18_8 118.6(5) . . ?
C16_8 C17_8 C20_8 120.8(6) . . ?
C18_8 C17_8 C20_8 120.2(6) . . ?
C19_8 C18_8 C17_8 121.2(6) . . ?
C19_8 C18_8 H18_8 119.4 . . ?
C17_8 C18_8 H18_8 119.4 . . ?
C18_8 C19_8 C14_8 119.4(6) . . ?
C18_8 C19_8 H19_8 120.3 . . ?
C14_8 C19_8 H19_8 120.3 . . ?
O3_8 C20_8 O4_8 123.1(5) . . ?
O3_8 C20_8 C17_8 119.1(6) . . ?
O4_8 C20_8 C17_8 117.7(6) . . ?
C26_8 C21_8 C22_8 119.4(6) . . ?
C26_8 C21_8 C5_8 120.8(5) . . ?
C22_8 C21_8 C5_8 119.9(6) . . ?
C23_8 C22_8 C21_8 118.5(6) . . ?
C23_8 C22_8 H22_8 120.7 . . ?
C21_8 C22_8 H22_8 120.7 . . ?
C24_8 C23_8 C22_8 121.2(6) . . ?
C24_8 C23_8 H23_8 119.4 . . ?
C22_8 C23_8 H23_8 119.4 . . ?
C23_8 C24_8 C25_8 121.8(6) . . ?
C23_8 C24_8 C27_8 121.2(6) . . ?
C25_8 C24_8 C27_8 117.0(6) . . ?
C24_8 C25_8 C26_8 116.7(6) . . ?
C24_8 C25_8 H25_8 121.7 . . ?
C26_8 C25_8 H25_8 121.7 . . ?
C21_8 C26_8 C25_8 122.3(6) . . ?
C21_8 C26_8 H26_8 118.8 . . ?
C25_8 C26_8 H26_8 118.8 . . ?
O6_8 C27_8 O5_8 125.4(6) . . ?
O6_8 C27_8 C24_8 120.4(6) . . ?
O5_8 C27_8 C24_8 114.2(6) . . ?
C13_8 O1_8 H1A_8 109.5 . . ?
C20_8 O4_8 H4A_8 109.5 . . ?
C27_8 O6_8 H6A_8 109.5 . . ?
C6_9 C1_9 C2_9 117.0(6) . . ?
C6_9 C1_9 C7_9 121.8(5) . . ?
C2_9 C1_9 C7_9 121.1(5) . . ?
C1_9 C2_9 C3_9 121.7(5) . . ?
C1_9 C2_9 H2_9 119.1 . . ?
C3_9 C2_9 H2_9 119.1 . . ?
C4_9 C3_9 C2_9 116.7(5) . . ?
C4_9 C3_9 C14_9 121.9(6) . . ?
C2_9 C3_9 C14_9 121.3(5) . . ?
C3_9 C4_9 C5_9 121.7(6) . . ?
C3_9 C4_9 H4_9 119.1 . . ?
C5_9 C4_9 H4_9 119.1 . . ?
C6_9 C5_9 C4_9 120.2(5) . . ?
C6_9 C5_9 C21_9 121.2(5) . . ?
C4_9 C5_9 C21_9 118.5(6) . . ?
C5_9 C6_9 C1_9 122.5(5) . . ?
C5_9 C6_9 H6_9 118.8 . . ?
C1_9 C6_9 H6_9 118.8 . . ?
C12_9 C7_9 C8_9 116.5(5) . . ?
C12_9 C7_9 C1_9 122.1(5) . . ?
C8_9 C7_9 C1_9 121.4(5) . . ?
C9_9 C8_9 C7_9 121.1(5) . . ?
C9_9 C8_9 H8_9 119.4 . . ?
C7_9 C8_9 H8_9 119.4 . . ?
C8_9 C9_9 C10_9 120.8(5) . . ?
C8_9 C9_9 H9_9 119.6 . . ?
C10_9 C9_9 H9_9 119.6 . . ?
C9_9 C10_9 C11_9 118.3(5) . . ?
C9_9 C10_9 C13_9 122.2(6) . . ?
C11_9 C10_9 C13_9 119.4(5) . . ?
C12_9 C11_9 C10_9 119.4(5) . . ?
C12_9 C11_9 H11_9 120.3 . . ?
C10_9 C11_9 H11_9 120.3 . . ?
C11_9 C12_9 C7_9 123.9(5) . . ?
C11_9 C12_9 H12_9 118.1 . . ?
C7_9 C12_9 H12_9 118.1 . . ?
O2_9 C13_9 O1_9 124.1(6) . . ?
O2_9 C13_9 C10_9 120.5(6) . . ?
O1_9 C13_9 C10_9 115.4(6) . . ?
C15_9 C14_9 C19_9 117.4(5) . . ?
C15_9 C14_9 C3_9 121.8(5) . . ?
C19_9 C14_9 C3_9 120.7(6) . . ?
C16_9 C15_9 C14_9 124.1(5) . . ?
C16_9 C15_9 H15_9 117.9 . . ?
C14_9 C15_9 H15_9 117.9 . . ?
C15_9 C16_9 C17_9 118.9(6) . . ?
C15_9 C16_9 H16_9 120.5 . . ?
C17_9 C16_9 H16_9 120.5 . . ?
C18_9 C17_9 C16_9 118.1(5) . . ?
C18_9 C17_9 C20_9 120.4(6) . . ?
C16_9 C17_9 C20_9 121.4(6) . . ?
C17_9 C18_9 C19_9 123.2(6) . . ?
C17_9 C18_9 H18_9 118.4 . . ?
C19_9 C18_9 H18_9 118.4 . . ?
C18_9 C19_9 C14_9 117.8(6) . . ?
C18_9 C19_9 H19_9 121.1 . . ?
C14_9 C19_9 H19_9 121.1 . . ?
O4_9 C20_9 O3_9 124.4(6) . . ?
O4_9 C20_9 C17_9 119.7(7) . . ?
O3_9 C20_9 C17_9 115.9(6) . . ?
C26_9 C21_9 C22_9 117.7(5) . . ?
C26_9 C21_9 C5_9 123.5(5) . . ?
C22_9 C21_9 C5_9 118.8(5) . . ?
C23_9 C22_9 C21_9 118.3(6) . . ?
C23_9 C22_9 H22_9 120.8 . . ?
C21_9 C22_9 H22_9 120.8 . . ?
C24_9 C23_9 C22_9 121.8(5) . . ?
C24_9 C23_9 H23_9 119.1 . . ?
C22_9 C23_9 H23_9 119.1 . . ?
C25_9 C24_9 C23_9 118.1(6) . . ?
C25_9 C24_9 C27_9 125.0(6) . . ?
C23_9 C24_9 C27_9 116.8(6) . . ?
C26_9 C25_9 C24_9 121.4(6) . . ?
C26_9 C25_9 H25_9 119.3 . . ?
C24_9 C25_9 H25_9 119.3 . . ?
C25_9 C26_9 C21_9 122.4(5) . . ?
C25_9 C26_9 H26_9 118.8 . . ?
C21_9 C26_9 H26_9 118.8 . . ?
O5_9 C27_9 O6_9 122.2(6) . . ?
O5_9 C27_9 C24_9 122.6(7) . . ?
O6_9 C27_9 C24_9 114.9(6) . . ?
C13_9 O1_9 H1A_9 109.5 . . ?
C20_9 O3_9 H3A_9 109.5 . . ?
C27_9 O6_9 H6A_9 109.5 . . ?
C2_10 C1_10 C6_10 119.6(6) . . ?
C2_10 C1_10 C7_10 120.4(5) . . ?
C6_10 C1_10 C7_10 120.0(5) . . ?
C1_10 C2_10 C3_10 121.2(6) . . ?
C1_10 C2_10 H2_10 119.4 . . ?
C3_10 C2_10 H2_10 119.4 . . ?
C4_10 C3_10 C2_10 118.7(6) . . ?
C4_10 C3_10 C14_10 119.3(6) . . ?
C2_10 C3_10 C14_10 121.9(6) . . ?
C5_10 C4_10 C3_10 120.9(6) . . ?
C5_10 C4_10 H4_10 119.6 . . ?
C3_10 C4_10 H4_10 119.6 . . ?
C4_10 C5_10 C6_10 119.7(6) . . ?
C4_10 C5_10 C21_10 122.3(6) . . ?
C6_10 C5_10 C21_10 117.9(5) . . ?
C5_10 C6_10 C1_10 120.0(5) . . ?
C5_10 C6_10 H6_10 120.0 . . ?
C1_10 C6_10 H6_10 120.0 . . ?
C8_10 C7_10 C12_10 118.3(6) . . ?
C8_10 C7_10 C1_10 121.5(5) . . ?
C12_10 C7_10 C1_10 120.2(5) . . ?
C9_10 C8_10 C7_10 121.6(6) . . ?
C9_10 C8_10 H8_10 119.2 . . ?
C7_10 C8_10 H8_10 119.2 . . ?
C8_10 C9_10 C10_10 120.4(6) . . ?
C8_10 C9_10 H9_10 119.8 . . ?
C10_10 C9_10 H9_10 119.8 . . ?
C9_10 C10_10 C11_10 119.6(6) . . ?
C9_10 C10_10 C13_10 122.4(6) . . ?
C11_10 C10_10 C13_10 117.7(6) . . ?
C12_10 C11_10 C10_10 119.2(6) . . ?
C12_10 C11_10 H11_10 120.4 . . ?
C10_10 C11_10 H11_10 120.4 . . ?
C11_10 C12_10 C7_10 120.8(5) . . ?
C11_10 C12_10 H12_10 119.6 . . ?
C7_10 C12_10 H12_10 119.6 . . ?
O2_10 C13_10 O1_10 120.3(6) . . ?
O2_10 C13_10 C10_10 124.8(5) . . ?
O1_10 C13_10 C10_10 114.8(6) . . ?
C15_10 C14_10 C19_10 117.4(6) . . ?
C15_10 C14_10 C3_10 122.5(6) . . ?
C19_10 C14_10 C3_10 120.0(6) . . ?
C16_10 C15_10 C14_10 122.7(6) . . ?
C16_10 C15_10 H15_10 118.6 . . ?
C14_10 C15_10 H15_10 118.6 . . ?
C15_10 C16_10 C17_10 120.3(7) . . ?
C15_10 C16_10 H16_10 119.8 . . ?
C17_10 C16_10 H16_10 119.8 . . ?
C16_10 C17_10 C18_10 119.7(6) . . ?
C16_10 C17_10 C20_10 121.5(7) . . ?
C18_10 C17_10 C20_10 118.8(6) . . ?
C19_10 C18_10 C17_10 118.8(6) . . ?
C19_10 C18_10 H18_10 120.6 . . ?
C17_10 C18_10 H18_10 120.6 . . ?
C18_10 C19_10 C14_10 120.9(7) . . ?
C18_10 C19_10 H19_10 119.5 . . ?
C14_10 C19_10 H19_10 119.5 . . ?
O4_10 C20_10 O3_10 124.5(6) . . ?
O4_10 C20_10 C17_10 119.6(7) . . ?
O3_10 C20_10 C17_10 115.6(6) . . ?
C22_10 C21_10 C26_10 117.2(6) . . ?
C22_10 C21_10 C5_10 121.4(6) . . ?
C26_10 C21_10 C5_10 121.4(5) . . ?
C23_10 C22_10 C21_10 121.5(6) . . ?
C23_10 C22_10 H22_10 119.3 . . ?
C21_10 C22_10 H22_10 119.3 . . ?
C22_10 C23_10 C24_10 121.7(6) . . ?
C22_10 C23_10 H23_10 119.2 . . ?
C24_10 C23_10 H23_10 119.2 . . ?
C23_10 C24_10 C25_10 120.8(6) . . ?
C23_10 C24_10 C27_10 119.9(6) . . ?
C25_10 C24_10 C27_10 119.3(6) . . ?
C24_10 C25_10 C26_10 116.5(6) . . ?
C24_10 C25_10 H25_10 121.8 . . ?
C26_10 C25_10 H25_10 121.8 . . ?
C21_10 C26_10 C25_10 122.3(6) . . ?
C21_10 C26_10 H26_10 118.8 . . ?
C25_10 C26_10 H26_10 118.8 . . ?
O5_10 C27_10 O6_10 121.9(6) . . ?
O5_10 C27_10 C24_10 120.6(6) . . ?
O6_10 C27_10 C24_10 117.5(6) . . ?
C13_10 O1_10 H1A_10 109.5 . . ?
C20_10 O3_10 H3A_10 109.5 . . ?
C27_10 O6_10 H6A_10 109.5 . . ?
C2_11 C1_11 C6_11 118.4(6) . . ?
C2_11 C1_11 C7_11 119.7(6) . . ?
C6_11 C1_11 C7_11 121.9(6) . . ?
C1_11 C2_11 C3_11 121.5(6) . . ?
C1_11 C2_11 H2_11 119.2 . . ?
C3_11 C2_11 H2_11 119.2 . . ?
C2_11 C3_11 C4_11 121.8(6) . . ?
C2_11 C3_11 C14_11 120.8(5) . . ?
C4_11 C3_11 C14_11 117.4(6) . . ?
C3_11 C4_11 C5_11 116.3(6) . . ?
C3_11 C4_11 H4_11 121.9 . . ?
C5_11 C4_11 H4_11 121.9 . . ?
C6_11 C5_11 C4_11 120.0(6) . . ?
C6_11 C5_11 C21_11 120.5(6) . . ?
C4_11 C5_11 C21_11 119.4(6) . . ?
C5_11 C6_11 C1_11 121.6(6) . . ?
C5_11 C6_11 H6_11 119.2 . . ?
C1_11 C6_11 H6_11 119.2 . . ?
C12_11 C7_11 C8_11 113.7(6) . . ?
C12_11 C7_11 C1_11 124.5(5) . . ?
C8_11 C7_11 C1_11 121.8(6) . . ?
C9_11 C8_11 C7_11 123.7(6) . . ?
C9_11 C8_11 H8_11 118.1 . . ?
C7_11 C8_11 H8_11 118.1 . . ?
C8_11 C9_11 C10_11 121.3(6) . . ?
C8_11 C9_11 H9_11 119.4 . . ?
C10_11 C9_11 H9_11 119.4 . . ?
C11_11 C10_11 C9_11 117.6(6) . . ?
C11_11 C10_11 C13_11 122.9(6) . . ?
C9_11 C10_11 C13_11 119.5(5) . . ?
C10_11 C11_11 C12_11 119.9(6) . . ?
C10_11 C11_11 H11_11 120.1 . . ?
C12_11 C11_11 H11_11 120.1 . . ?
C7_11 C12_11 C11_11 123.6(6) . . ?
C7_11 C12_11 H12_11 118.2 . . ?
C11_11 C12_11 H12_11 118.2 . . ?
O1_11 C13_11 O2_11 123.9(6) . . ?
O1_11 C13_11 C10_11 121.5(6) . . ?
O2_11 C13_11 C10_11 114.6(5) . . ?
C15_11 C14_11 C19_11 120.7(6) . . ?
C15_11 C14_11 C3_11 123.2(5) . . ?
C19_11 C14_11 C3_11 116.0(6) . . ?
C16_11 C15_11 C14_11 120.3(6) . . ?
C16_11 C15_11 H15_11 119.9 . . ?
C14_11 C15_11 H15_11 119.9 . . ?
C15_11 C16_11 C17_11 123.6(7) . . ?
C15_11 C16_11 H16_11 118.2 . . ?
C17_11 C16_11 H16_11 118.2 . . ?
C18_11 C17_11 C16_11 117.0(6) . . ?
C18_11 C17_11 C20_11 120.7(6) . . ?
C16_11 C17_11 C20_11 122.3(7) . . ?
C17_11 C18_11 C19_11 121.6(6) . . ?
C17_11 C18_11 H18_11 119.2 . . ?
C19_11 C18_11 H18_11 119.2 . . ?
C14_11 C19_11 C18_11 116.7(6) . . ?
C14_11 C19_11 H19_11 121.6 . . ?
C18_11 C19_11 H19_11 121.6 . . ?
O3_11 C20_11 O4_11 125.8(7) . . ?
O3_11 C20_11 C17_11 116.6(7) . . ?
O4_11 C20_11 C17_11 117.6(7) . . ?
C22_11 C21_11 C26_11 119.4(6) . . ?
C22_11 C21_11 C5_11 118.2(7) . . ?
C26_11 C21_11 C5_11 122.3(6) . . ?
C21_11 C22_11 C23_11 117.9(7) . . ?
C21_11 C22_11 H22_11 121.1 . . ?
C23_11 C22_11 H22_11 121.1 . . ?
C24_11 C23_11 C22_11 122.8(8) . . ?
C24_11 C23_11 H23_11 118.6 . . ?
C22_11 C23_11 H23_11 118.6 . . ?
C23_11 C24_11 C25_11 119.5(7) . . ?
C23_11 C24_11 C27_11 121.7(7) . . ?
C25_11 C24_11 C27_11 118.8(7) . . ?
C26_11 C25_11 C24_11 119.2(7) . . ?
C26_11 C25_11 H25_11 120.4 . . ?
C24_11 C25_11 H25_11 120.4 . . ?
C25_11 C26_11 C21_11 121.0(6) . . ?
C25_11 C26_11 H26_11 119.5 . . ?
C21_11 C26_11 H26_11 119.5 . . ?
O5_11 C27_11 O6_11 121.7(7) . . ?
O5_11 C27_11 C24_11 118.8(7) . . ?
O6_11 C27_11 C24_11 119.2(7) . . ?
C13_11 O2_11 H2A_11 109.5 . . ?
C20_11 O3_11 H3A_11 109.5 . . ?
C27_11 O6_11 H6A_11 109.5 . . ?
C7_12 C1_12 C6_12 123.9(6) . . ?
C7_12 C1_12 C2_12 122.5(5) . . ?
C6_12 C1_12 C2_12 113.5(6) . . ?
C3_12 C2_12 C1_12 124.0(5) . . ?
C3_12 C2_12 H2_12 118.0 . . ?
C1_12 C2_12 H2_12 118.0 . . ?
C4_12 C3_12 C2_12 117.9(5) . . ?
C4_12 C3_12 C14_12 121.9(6) . . ?
C2_12 C3_12 C14_12 120.2(5) . . ?
C3_12 C4_12 C5_12 121.8(6) . . ?
C3_12 C4_12 H4_12 119.1 . . ?
C5_12 C4_12 H4_12 119.1 . . ?
C6_12 C5_12 C4_12 118.0(5) . . ?
C6_12 C5_12 C21_12 120.8(5) . . ?
C4_12 C5_12 C21_12 121.2(6) . . ?
C5_12 C6_12 C1_12 124.6(5) . . ?
C5_12 C6_12 H6_12 117.7 . . ?
C1_12 C6_12 H6_12 117.7 . . ?
C8_12 C7_12 C12_12 116.8(6) . . ?
C8_12 C7_12 C1_12 121.5(6) . . ?
C12_12 C7_12 C1_12 121.7(6) . . ?
C9_12 C8_12 C7_12 122.4(6) . . ?
C9_12 C8_12 H8_12 118.8 . . ?
C7_12 C8_12 H8_12 118.8 . . ?
C8_12 C9_12 C10_12 120.2(6) . . ?
C8_12 C9_12 H9_12 119.9 . . ?
C10_12 C9_12 H9_12 119.9 . . ?
C9_12 C10_12 C11_12 117.4(6) . . ?
C9_12 C10_12 C13_12 120.2(6) . . ?
C11_12 C10_12 C13_12 122.3(6) . . ?
C12_12 C11_12 C10_12 121.7(6) . . ?
C12_12 C11_12 H11_12 119.1 . . ?
C10_12 C11_12 H11_12 119.1 . . ?
C11_12 C12_12 C7_12 121.4(6) . . ?
C11_12 C12_12 H12_12 119.3 . . ?
C7_12 C12_12 H12_12 119.3 . . ?
O1_12 C13_12 O2_12 124.9(6) . . ?
O1_12 C13_12 C10_12 118.1(6) . . ?
O2_12 C13_12 C10_12 117.0(6) . . ?
C15_12 C14_12 C19_12 117.0(6) . . ?
C15_12 C14_12 C3_12 121.9(5) . . ?
C19_12 C14_12 C3_12 121.1(6) . . ?
C14_12 C15_12 C16_12 121.9(6) . . ?
C14_12 C15_12 H15_12 119.1 . . ?
C16_12 C15_12 H15_12 119.1 . . ?
C15_12 C16_12 C17_12 120.4(6) . . ?
C15_12 C16_12 H16_12 119.8 . . ?
C17_12 C16_12 H16_12 119.8 . . ?
C18_12 C17_12 C16_12 117.7(6) . . ?
C18_12 C17_12 C20_12 120.5(6) . . ?
C16_12 C17_12 C20_12 121.6(6) . . ?
C17_12 C18_12 C19_12 121.4(6) . . ?
C17_12 C18_12 H18_12 119.3 . . ?
C19_12 C18_12 H18_12 119.3 . . ?
C18_12 C19_12 C14_12 121.6(7) . . ?
C18_12 C19_12 H19_12 119.2 . . ?
C14_12 C19_12 H19_12 119.2 . . ?
O3_12 C20_12 O4_12 123.2(6) . . ?
O3_12 C20_12 C17_12 118.2(6) . . ?
O4_12 C20_12 C17_12 118.5(7) . . ?
C22_12 C21_12 C26_12 117.0(5) . . ?
C22_12 C21_12 C5_12 122.3(6) . . ?
C26_12 C21_12 C5_12 120.5(5) . . ?
C21_12 C22_12 C23_12 121.4(6) . . ?
C21_12 C22_12 H22_12 119.3 . . ?
C23_12 C22_12 H22_12 119.3 . . ?
C22_12 C23_12 C24_12 119.4(6) . . ?
C22_12 C23_12 H23_12 120.3 . . ?
C24_12 C23_12 H23_12 120.3 . . ?
C25_12 C24_12 C23_12 119.6(5) . . ?
C25_12 C24_12 C27_12 120.7(6) . . ?
C23_12 C24_12 C27_12 119.7(5) . . ?
C26_12 C25_12 C24_12 120.2(6) . . ?
C26_12 C25_12 H25_12 119.9 . . ?
C24_12 C25_12 H25_12 119.9 . . ?
C25_12 C26_12 C21_12 122.4(6) . . ?
C25_12 C26_12 H26_12 118.8 . . ?
C21_12 C26_12 H26_12 118.8 . . ?
O5_12 C27_12 O6_12 121.9(5) . . ?
O5_12 C27_12 C24_12 120.7(6) . . ?
O6_12 C27_12 C24_12 117.3(5) . . ?
C13_12 O2_12 H2A_12 109.5 . . ?
C20_12 O3_12 H3A_12 109.5 . . ?
C27_12 O6_12 H6A_12 109.5 . . ?
C2_13 C1_13 C6_13 115.8(6) . . ?
C2_13 C1_13 C7_13 122.5(5) . . ?
C6_13 C1_13 C7_13 121.7(5) . . ?
C1_13 C2_13 C3_13 124.6(5) . . ?
C1_13 C2_13 H2_13 117.7 . . ?
C3_13 C2_13 H2_13 117.7 . . ?
C4_13 C3_13 C2_13 117.8(5) . . ?
C4_13 C3_13 C14_13 120.9(5) . . ?
C2_13 C3_13 C14_13 121.3(5) . . ?
C3_13 C4_13 C5_13 119.7(5) . . ?
C3_13 C4_13 H4_13 120.1 . . ?
C5_13 C4_13 H4_13 120.1 . . ?
C6_13 C5_13 C4_13 119.3(5) . . ?
C6_13 C5_13 C21_13 121.0(5) . . ?
C4_13 C5_13 C21_13 119.7(6) . . ?
C5_13 C6_13 C1_13 122.7(5) . . ?
C5_13 C6_13 H6_13 118.6 . . ?
C1_13 C6_13 H6_13 118.6 . . ?
C8_13 C7_13 C12_13 118.0(6) . . ?
C8_13 C7_13 C1_13 120.6(5) . . ?
C12_13 C7_13 C1_13 121.4(5) . . ?
C9_13 C8_13 C7_13 121.1(6) . . ?
C9_13 C8_13 H8_13 119.4 . . ?
C7_13 C8_13 H8_13 119.4 . . ?
C10_13 C9_13 C8_13 119.7(6) . . ?
C10_13 C9_13 H9_13 120.1 . . ?
C8_13 C9_13 H9_13 120.1 . . ?
C9_13 C10_13 C11_13 120.1(6) . . ?
C9_13 C10_13 C13_13 119.9(6) . . ?
C11_13 C10_13 C13_13 120.0(6) . . ?
C12_13 C11_13 C10_13 120.9(6) . . ?
C12_13 C11_13 H11_13 119.6 . . ?
C10_13 C11_13 H11_13 119.6 . . ?
C11_13 C12_13 C7_13 120.1(6) . . ?
C11_13 C12_13 H12_13 120.0 . . ?
C7_13 C12_13 H12_13 120.0 . . ?
O2_13 C13_13 O1_13 126.4(7) . . ?
O2_13 C13_13 C10_13 116.6(6) . . ?
O1_13 C13_13 C10_13 117.0(6) . . ?
C15_13 C14_13 C19_13 118.6(5) . . ?
C15_13 C14_13 C3_13 121.6(5) . . ?
C19_13 C14_13 C3_13 119.6(6) . . ?
C16_13 C15_13 C14_13 119.6(6) . . ?
C16_13 C15_13 H15_13 120.2 . . ?
C14_13 C15_13 H15_13 120.2 . . ?
C15_13 C16_13 C17_13 121.8(6) . . ?
C15_13 C16_13 H16_13 119.1 . . ?
C17_13 C16_13 H16_13 119.1 . . ?
C18_13 C17_13 C16_13 119.7(6) . . ?
C18_13 C17_13 C20_13 119.0(6) . . ?
C16_13 C17_13 C20_13 121.3(6) . . ?
C19_13 C18_13 C17_13 121.0(6) . . ?
C19_13 C18_13 H18_13 119.5 . . ?
C17_13 C18_13 H18_13 119.5 . . ?
C18_13 C19_13 C14_13 119.2(6) . . ?
C18_13 C19_13 H19_13 120.4 . . ?
C14_13 C19_13 H19_13 120.4 . . ?
O3_13 C20_13 O4_13 127.5(6) . . ?
O3_13 C20_13 C17_13 116.0(6) . . ?
O4_13 C20_13 C17_13 116.5(7) . . ?
C22_13 C21_13 C26_13 116.3(5) . . ?
C22_13 C21_13 C5_13 123.1(6) . . ?
C26_13 C21_13 C5_13 120.6(5) . . ?
C23_13 C22_13 C21_13 121.0(6) . . ?
C23_13 C22_13 H22_13 119.5 . . ?
C21_13 C22_13 H22_13 119.5 . . ?
C24_13 C23_13 C22_13 121.7(6) . . ?
C24_13 C23_13 H23_13 119.2 . . ?
C22_13 C23_13 H23_13 119.2 . . ?
C23_13 C24_13 C25_13 119.7(6) . . ?
C23_13 C24_13 C27_13 121.9(5) . . ?
C25_13 C24_13 C27_13 118.3(6) . . ?
C26_13 C25_13 C24_13 119.5(6) . . ?
C26_13 C25_13 H25_13 120.2 . . ?
C24_13 C25_13 H25_13 120.2 . . ?
C25_13 C26_13 C21_13 121.8(5) . . ?
C25_13 C26_13 H26_13 119.1 . . ?
C21_13 C26_13 H26_13 119.1 . . ?
O6_13 C27_13 O5_13 124.9(6) . . ?
O6_13 C27_13 C24_13 118.4(6) . . ?
O5_13 C27_13 C24_13 116.6(6) . . ?
C13_13 O2_13 H2A_13 109.5 . . ?
C20_13 O3_13 H3A_13 109.5 . . ?
C27_13 O6_13 H6A_13 109.5 . . ?
C2_14 C1_14 C6_14 116.9(6) . . ?
C2_14 C1_14 C7_14 122.5(5) . . ?
C6_14 C1_14 C7_14 120.5(5) . . ?
C1_14 C2_14 C3_14 122.6(5) . . ?
C1_14 C2_14 H2_14 118.7 . . ?
C3_14 C2_14 H2_14 118.7 . . ?
C4_14 C3_14 C2_14 118.0(5) . . ?
C4_14 C3_14 C14_14 122.9(6) . . ?
C2_14 C3_14 C14_14 119.1(5) . . ?
C3_14 C4_14 C5_14 121.8(6) . . ?
C3_14 C4_14 H4_14 119.1 . . ?
C5_14 C4_14 H4_14 119.1 . . ?
C6_14 C5_14 C4_14 118.5(5) . . ?
C6_14 C5_14 C21_14 122.5(5) . . ?
C4_14 C5_14 C21_14 119.0(5) . . ?
C5_14 C6_14 C1_14 122.1(5) . . ?
C5_14 C6_14 H6_14 118.9 . . ?
C1_14 C6_14 H6_14 118.9 . . ?
C12_14 C7_14 C8_14 118.3(6) . . ?
C12_14 C7_14 C1_14 121.0(5) . . ?
C8_14 C7_14 C1_14 120.6(5) . . ?
C9_14 C8_14 C7_14 119.4(6) . . ?
C9_14 C8_14 H8_14 120.3 . . ?
C7_14 C8_14 H8_14 120.3 . . ?
C8_14 C9_14 C10_14 122.3(6) . . ?
C8_14 C9_14 H9_14 118.8 . . ?
C10_14 C9_14 H9_14 118.8 . . ?
C9_14 C10_14 C11_14 117.8(6) . . ?
C9_14 C10_14 C13_14 122.6(5) . . ?
C11_14 C10_14 C13_14 119.5(5) . . ?
C12_14 C11_14 C10_14 119.0(6) . . ?
C12_14 C11_14 H11_14 120.5 . . ?
C10_14 C11_14 H11_14 120.5 . . ?
C11_14 C12_14 C7_14 123.1(6) . . ?
C11_14 C12_14 H12_14 118.5 . . ?
C7_14 C12_14 H12_14 118.5 . . ?
O2_14 C13_14 O1_14 123.4(6) . . ?
O2_14 C13_14 C10_14 119.2(5) . . ?
O1_14 C13_14 C10_14 117.4(5) . . ?
C19_14 C14_14 C15_14 119.8(6) . . ?
C19_14 C14_14 C3_14 119.2(6) . . ?
C15_14 C14_14 C3_14 121.0(5) . . ?
C16_14 C15_14 C14_14 121.3(6) . . ?
C16_14 C15_14 H15_14 119.3 . . ?
C14_14 C15_14 H15_14 119.3 . . ?
C15_14 C16_14 C17_14 119.1(7) . . ?
C15_14 C16_14 H16_14 120.5 . . ?
C17_14 C16_14 H16_14 120.5 . . ?
C18_14 C17_14 C16_14 120.6(6) . . ?
C18_14 C17_14 C20_14 121.1(6) . . ?
C16_14 C17_14 C20_14 118.2(7) . . ?
C17_14 C18_14 C19_14 119.1(6) . . ?
C17_14 C18_14 H18_14 120.5 . . ?
C19_14 C18_14 H18_14 120.5 . . ?
C14_14 C19_14 C18_14 120.0(6) . . ?
C14_14 C19_14 H19_14 120.0 . . ?
C18_14 C19_14 H19_14 120.0 . . ?
O3_14 C20_14 O4_14 125.5(6) . . ?
O3_14 C20_14 C17_14 122.5(6) . . ?
O4_14 C20_14 C17_14 111.9(7) . . ?
C26_14 C21_14 C22_14 119.4(6) . . ?
C26_14 C21_14 C5_14 119.0(5) . . ?
C22_14 C21_14 C5_14 121.6(6) . . ?
C21_14 C22_14 C23_14 119.1(6) . . ?
C21_14 C22_14 H22_14 120.4 . . ?
C23_14 C22_14 H22_14 120.4 . . ?
C24_14 C23_14 C22_14 121.4(6) . . ?
C24_14 C23_14 H23_14 119.3 . . ?
C22_14 C23_14 H23_14 119.3 . . ?
C23_14 C24_14 C25_14 121.2(6) . . ?
C23_14 C24_14 C27_14 120.1(6) . . ?
C25_14 C24_14 C27_14 118.7(6) . . ?
C24_14 C25_14 C26_14 117.3(6) . . ?
C24_14 C25_14 H25_14 121.4 . . ?
C26_14 C25_14 H25_14 121.4 . . ?
C21_14 C26_14 C25_14 121.5(6) . . ?
C21_14 C26_14 H26_14 119.3 . . ?
C25_14 C26_14 H26_14 119.3 . . ?
O5_14 C27_14 O6_14 122.5(6) . . ?
O5_14 C27_14 C24_14 121.5(6) . . ?
O6_14 C27_14 C24_14 116.0(6) . . ?
C13_14 O2_14 H2A_14 109.5 . . ?
C20_14 O3_14 H3A_14 109.5 . . ?
C27_14 O6_14 H6A_14 109.5 . . ?
C2_15 C1_15 C6_15 118.7(6) . . ?
C2_15 C1_15 C7_15 121.5(5) . . ?
C6_15 C1_15 C7_15 119.8(5) . . ?
C1_15 C2_15 C3_15 122.3(5) . . ?
C1_15 C2_15 H2_15 118.8 . . ?
C3_15 C2_15 H2_15 118.8 . . ?
C2_15 C3_15 C4_15 119.3(5) . . ?
C2_15 C3_15 C14_15 121.0(5) . . ?
C4_15 C3_15 C14_15 119.7(5) . . ?
C3_15 C4_15 C5_15 118.4(5) . . ?
C3_15 C4_15 H4_15 120.8 . . ?
C5_15 C4_15 H4_15 120.8 . . ?
C6_15 C5_15 C4_15 121.4(5) . . ?
C6_15 C5_15 C21_15 118.1(5) . . ?
C4_15 C5_15 C21_15 120.4(5) . . ?
C5_15 C6_15 C1_15 119.9(5) . . ?
C5_15 C6_15 H6_15 120.1 . . ?
C1_15 C6_15 H6_15 120.1 . . ?
C12_15 C7_15 C8_15 118.1(6) . . ?
C12_15 C7_15 C1_15 120.0(5) . . ?
C8_15 C7_15 C1_15 121.9(5) . . ?
C9_15 C8_15 C7_15 120.7(5) . . ?
C9_15 C8_15 H8_15 119.7 . . ?
C7_15 C8_15 H8_15 119.7 . . ?
C8_15 C9_15 C10_15 119.5(5) . . ?
C8_15 C9_15 H9_15 120.3 . . ?
C10_15 C9_15 H9_15 120.3 . . ?
C11_15 C10_15 C9_15 118.7(6) . . ?
C11_15 C10_15 C13_15 121.7(5) . . ?
C9_15 C10_15 C13_15 119.6(5) . . ?
C12_15 C11_15 C10_15 120.6(6) . . ?
C12_15 C11_15 H11_15 119.7 . . ?
C10_15 C11_15 H11_15 119.7 . . ?
C11_15 C12_15 C7_15 122.4(6) . . ?
C11_15 C12_15 H12_15 118.8 . . ?
C7_15 C12_15 H12_15 118.8 . . ?
O1_15 C13_15 O2_15 124.1(6) . . ?
O1_15 C13_15 C10_15 119.0(5) . . ?
O2_15 C13_15 C10_15 116.8(6) . . ?
C19_15 C14_15 C15_15 119.4(5) . . ?
C19_15 C14_15 C3_15 120.4(5) . . ?
C15_15 C14_15 C3_15 120.1(5) . . ?
C16_15 C15_15 C14_15 118.7(6) . . ?
C16_15 C15_15 H15_15 120.7 . . ?
C14_15 C15_15 H15_15 120.7 . . ?
C15_15 C16_15 C17_15 122.0(6) . . ?
C15_15 C16_15 H16_15 119.0 . . ?
C17_15 C16_15 H16_15 119.0 . . ?
C18_15 C17_15 C16_15 119.1(5) . . ?
C18_15 C17_15 C20_15 119.7(5) . . ?
C16_15 C17_15 C20_15 121.1(6) . . ?
C17_15 C18_15 C19_15 119.5(5) . . ?
C17_15 C18_15 H18_15 120.2 . . ?
C19_15 C18_15 H18_15 120.2 . . ?
C14_15 C19_15 C18_15 121.2(6) . . ?
C14_15 C19_15 H19_15 119.4 . . ?
C18_15 C19_15 H19_15 119.4 . . ?
O3_15 C20_15 O4_15 122.1(6) . . ?
O3_15 C20_15 C17_15 119.8(6) . . ?
O4_15 C20_15 C17_15 118.1(6) . . ?
C22_15 C21_15 C26_15 118.1(5) . . ?
C22_15 C21_15 C5_15 120.9(5) . . ?
C26_15 C21_15 C5_15 121.0(5) . . ?
C23_15 C22_15 C21_15 122.0(6) . . ?
C23_15 C22_15 H22_15 119.0 . . ?
C21_15 C22_15 H22_15 119.0 . . ?
C22_15 C23_15 C24_15 119.0(6) . . ?
C22_15 C23_15 H23_15 120.5 . . ?
C24_15 C23_15 H23_15 120.5 . . ?
C25_15 C24_15 C23_15 119.5(5) . . ?
C25_15 C24_15 C27_15 119.6(6) . . ?
C23_15 C24_15 C27_15 120.8(6) . . ?
C24_15 C25_15 C26_15 121.5(6) . . ?
C24_15 C25_15 H25_15 119.3 . . ?
C26_15 C25_15 H25_15 119.3 . . ?
C25_15 C26_15 C21_15 119.9(6) . . ?
C25_15 C26_15 H26_15 120.1 . . ?
C21_15 C26_15 H26_15 120.1 . . ?
O5_15 C27_15 O6_15 123.4(6) . . ?
O5_15 C27_15 C24_15 120.1(6) . . ?
O6_15 C27_15 C24_15 116.4(6) . . ?
C13_15 O2_15 H2A_15 109.5 . . ?
C20_15 O3_15 H3A_15 109.5 . . ?
C27_15 O6_15 H6A_15 109.5 . . ?
C6_16 C1_16 C2_16 117.3(6) . . ?
C6_16 C1_16 C7_16 123.7(5) . . ?
C2_16 C1_16 C7_16 119.0(5) . . ?
C1_16 C2_16 C3_16 119.3(5) . . ?
C1_16 C2_16 H2_16 120.4 . . ?
C3_16 C2_16 H2_16 120.4 . . ?
C4_16 C3_16 C2_16 121.6(5) . . ?
C4_16 C3_16 C14_16 120.4(5) . . ?
C2_16 C3_16 C14_16 118.0(5) . . ?
C3_16 C4_16 C5_16 118.5(6) . . ?
C3_16 C4_16 H4_16 120.8 . . ?
C5_16 C4_16 H4_16 120.8 . . ?
C6_16 C5_16 C4_16 119.7(5) . . ?
C6_16 C5_16 C21_16 121.4(5) . . ?
C4_16 C5_16 C21_16 118.8(5) . . ?
C5_16 C6_16 C1_16 123.6(5) . . ?
C5_16 C6_16 H6_16 118.2 . . ?
C1_16 C6_16 H6_16 118.2 . . ?
C8_16 C7_16 C12_16 116.0(6) . . ?
C8_16 C7_16 C1_16 122.6(5) . . ?
C12_16 C7_16 C1_16 121.4(5) . . ?
C7_16 C8_16 C9_16 121.8(6) . . ?
C7_16 C8_16 H8_16 119.1 . . ?
C9_16 C8_16 H8_16 119.1 . . ?
C10_16 C9_16 C8_16 120.2(6) . . ?
C10_16 C9_16 H9_16 119.9 . . ?
C8_16 C9_16 H9_16 119.9 . . ?
C9_16 C10_16 C11_16 120.2(6) . . ?
C9_16 C10_16 C13_16 121.0(6) . . ?
C11_16 C10_16 C13_16 118.8(6) . . ?
C12_16 C11_16 C10_16 120.2(6) . . ?
C12_16 C11_16 H11_16 119.9 . . ?
C10_16 C11_16 H11_16 119.9 . . ?
C11_16 C12_16 C7_16 121.4(6) . . ?
C11_16 C12_16 H12_16 119.3 . . ?
C7_16 C12_16 H12_16 119.3 . . ?
O2_16 C13_16 O1_16 125.7(6) . . ?
O2_16 C13_16 C10_16 119.2(6) . . ?
O1_16 C13_16 C10_16 115.1(6) . . ?
C15_16 C14_16 C19_16 118.0(5) . . ?
C15_16 C14_16 C3_16 121.8(5) . . ?
C19_16 C14_16 C3_16 120.2(6) . . ?
C16_16 C15_16 C14_16 121.8(5) . . ?
C16_16 C15_16 H15_16 119.1 . . ?
C14_16 C15_16 H15_16 119.1 . . ?
C17_16 C16_16 C15_16 119.4(6) . . ?
C17_16 C16_16 H16_16 120.3 . . ?
C15_16 C16_16 H16_16 120.3 . . ?
C16_16 C17_16 C18_16 120.3(5) . . ?
C16_16 C17_16 C20_16 121.3(6) . . ?
C18_16 C17_16 C20_16 118.4(5) . . ?
C19_16 C18_16 C17_16 119.5(5) . . ?
C19_16 C18_16 H18_16 120.3 . . ?
C17_16 C18_16 H18_16 120.3 . . ?
C18_16 C19_16 C14_16 120.8(6) . . ?
C18_16 C19_16 H19_16 119.6 . . ?
C14_16 C19_16 H19_16 119.6 . . ?
O4_16 C20_16 O3_16 121.9(6) . . ?
O4_16 C20_16 C17_16 122.3(7) . . ?
O3_16 C20_16 C17_16 115.8(6) . . ?
C26_16 C21_16 C22_16 117.9(6) . . ?
C26_16 C21_16 C5_16 121.7(5) . . ?
C22_16 C21_16 C5_16 120.4(6) . . ?
C23_16 C22_16 C21_16 119.7(6) . . ?
C23_16 C22_16 H22_16 120.1 . . ?
C21_16 C22_16 H22_16 120.1 . . ?
C22_16 C23_16 C24_16 120.9(6) . . ?
C22_16 C23_16 H23_16 119.6 . . ?
C24_16 C23_16 H23_16 119.6 . . ?
C25_16 C24_16 C23_16 120.6(6) . . ?
C25_16 C24_16 C27_16 119.2(6) . . ?
C23_16 C24_16 C27_16 120.2(6) . . ?
C26_16 C25_16 C24_16 118.7(6) . . ?
C26_16 C25_16 H25_16 120.6 . . ?
C24_16 C25_16 H25_16 120.6 . . ?
C25_16 C26_16 C21_16 122.2(6) . . ?
C25_16 C26_16 H26_16 118.9 . . ?
C21_16 C26_16 H26_16 118.9 . . ?
O6_16 C27_16 O5_16 124.4(6) . . ?
O6_16 C27_16 C24_16 118.2(6) . . ?
O5_16 C27_16 C24_16 117.4(6) . . ?
C13_16 O1_16 H1A_16 109.5 . . ?
C20_16 O3_16 H3A_16 109.5 . . ?
C27_16 O6_16 H6A_16 109.5 . . ?
C2_17 C1_17 C6_17 117.1(6) . . ?
C2_17 C1_17 C7_17 121.1(5) . . ?
C6_17 C1_17 C7_17 121.8(5) . . ?
C1_17 C2_17 C3_17 121.8(5) . . ?
C1_17 C2_17 H2_17 119.1 . . ?
C3_17 C2_17 H2_17 119.1 . . ?
C4_17 C3_17 C2_17 118.6(6) . . ?
C4_17 C3_17 C14_17 122.3(6) . . ?
C2_17 C3_17 C14_17 119.1(5) . . ?
C3_17 C4_17 C5_17 122.3(6) . . ?
C3_17 C4_17 H4_17 118.9 . . ?
C5_17 C4_17 H4_17 118.9 . . ?
C4_17 C5_17 C6_17 116.9(5) . . ?
C4_17 C5_17 C21_17 122.3(6) . . ?
C6_17 C5_17 C21_17 120.7(5) . . ?
C1_17 C6_17 C5_17 123.2(5) . . ?
C1_17 C6_17 H6_17 118.4 . . ?
C5_17 C6_17 H6_17 118.4 . . ?
C12_17 C7_17 C8_17 118.3(6) . . ?
C12_17 C7_17 C1_17 121.7(5) . . ?
C8_17 C7_17 C1_17 119.9(6) . . ?
C9_17 C8_17 C7_17 120.4(6) . . ?
C9_17 C8_17 H8_17 119.8 . . ?
C7_17 C8_17 H8_17 119.8 . . ?
C8_17 C9_17 C10_17 118.2(6) . . ?
C8_17 C9_17 H9_17 120.9 . . ?
C10_17 C9_17 H9_17 120.9 . . ?
C11_17 C10_17 C9_17 122.1(7) . . ?
C11_17 C10_17 C13_17 118.7(6) . . ?
C9_17 C10_17 C13_17 119.1(6) . . ?
C10_17 C11_17 C12_17 120.3(6) . . ?
C10_17 C11_17 H11_17 119.9 . . ?
C12_17 C11_17 H11_17 119.9 . . ?
C7_17 C12_17 C11_17 120.5(6) . . ?
C7_17 C12_17 H12_17 119.8 . . ?
C11_17 C12_17 H12_17 119.8 . . ?
O2_17 C13_17 O1_17 123.4(6) . . ?
O2_17 C13_17 C10_17 118.5(6) . . ?
O1_17 C13_17 C10_17 117.9(6) . . ?
C19_17 C14_17 C15_17 117.5(6) . . ?
C19_17 C14_17 C3_17 122.3(6) . . ?
C15_17 C14_17 C3_17 120.0(5) . . ?
C16_17 C15_17 C14_17 121.8(6) . . ?
C16_17 C15_17 H15_17 119.1 . . ?
C14_17 C15_17 H15_17 119.1 . . ?
C15_17 C16_17 C17_17 118.8(6) . . ?
C15_17 C16_17 H16_17 120.6 . . ?
C17_17 C16_17 H16_17 120.6 . . ?
C18_17 C17_17 C16_17 119.8(6) . . ?
C18_17 C17_17 C20_17 121.9(6) . . ?
C16_17 C17_17 C20_17 118.3(6) . . ?
C17_17 C18_17 C19_17 120.4(6) . . ?
C17_17 C18_17 H18_17 119.8 . . ?
C19_17 C18_17 H18_17 119.8 . . ?
C14_17 C19_17 C18_17 121.7(6) . . ?
C14_17 C19_17 H19_17 119.1 . . ?
C18_17 C19_17 H19_17 119.1 . . ?
O3_17 C20_17 O4_17 124.4(6) . . ?
O3_17 C20_17 C17_17 119.9(6) . . ?
O4_17 C20_17 C17_17 115.7(7) . . ?
C22_17 C21_17 C5_17 123.6(6) . . ?
C22_17 C21_17 C26_17 116.0(5) . . ?
C5_17 C21_17 C26_17 120.3(5) . . ?
C23_17 C22_17 C21_17 120.3(6) . . ?
C23_17 C22_17 H22_17 119.9 . . ?
C21_17 C22_17 H22_17 119.9 . . ?
C24_17 C23_17 C22_17 122.3(5) . . ?
C24_17 C23_17 H23_17 118.9 . . ?
C22_17 C23_17 H23_17 118.9 . . ?
C23_17 C24_17 C25_17 119.8(5) . . ?
C23_17 C24_17 C27_17 121.1(6) . . ?
C25_17 C24_17 C27_17 119.1(6) . . ?
C26_17 C25_17 C24_17 119.6(6) . . ?
C26_17 C25_17 H25_17 120.2 . . ?
C24_17 C25_17 H25_17 120.2 . . ?
C25_17 C26_17 C21_17 121.9(5) . . ?
C25_17 C26_17 H26_17 119.1 . . ?
C21_17 C26_17 H26_17 119.1 . . ?
O6_17 C27_17 O5_17 122.7(6) . . ?
O6_17 C27_17 C24_17 118.0(6) . . ?
O5_17 C27_17 C24_17 119.3(7) . . ?
C13_17 O1_17 H1A_17 109.5 . . ?
C20_17 O3_17 H3A_17 109.5 . . ?
C27_17 O6_17 H6A_17 109.5 . . ?
C6_18 C1_18 C2_18 116.9(5) . . ?
C6_18 C1_18 C7_18 121.7(5) . . ?
C2_18 C1_18 C7_18 121.4(5) . . ?
C1_18 C2_18 C3_18 121.5(5) . . ?
C1_18 C2_18 H2_18 119.2 . . ?
C3_18 C2_18 H2_18 119.2 . . ?
C4_18 C3_18 C2_18 118.4(5) . . ?
C4_18 C3_18 C14_18 123.1(6) . . ?
C2_18 C3_18 C14_18 118.5(5) . . ?
C3_18 C4_18 C5_18 121.9(5) . . ?
C3_18 C4_18 H4_18 119.0 . . ?
C5_18 C4_18 H4_18 119.0 . . ?
C4_18 C5_18 C6_18 117.9(5) . . ?
C4_18 C5_18 C21_18 120.7(5) . . ?
C6_18 C5_18 C21_18 121.4(5) . . ?
C1_18 C6_18 C5_18 123.1(5) . . ?
C1_18 C6_18 H6_18 118.5 . . ?
C5_18 C6_18 H6_18 118.5 . . ?
C8_18 C7_18 C12_18 118.9(6) . . ?
C8_18 C7_18 C1_18 119.6(5) . . ?
C12_18 C7_18 C1_18 121.4(5) . . ?
C7_18 C8_18 C9_18 120.0(5) . . ?
C7_18 C8_18 H8_18 120.0 . . ?
C9_18 C8_18 H8_18 120.0 . . ?
C10_18 C9_18 C8_18 120.5(5) . . ?
C10_18 C9_18 H9_18 119.8 . . ?
C8_18 C9_18 H9_18 119.8 . . ?
C9_18 C10_18 C11_18 118.1(6) . . ?
C9_18 C10_18 C13_18 122.9(5) . . ?
C11_18 C10_18 C13_18 119.0(5) . . ?
C12_18 C11_18 C10_18 120.7(5) . . ?
C12_18 C11_18 H11_18 119.7 . . ?
C10_18 C11_18 H11_18 119.7 . . ?
C11_18 C12_18 C7_18 121.8(5) . . ?
C11_18 C12_18 H12_18 119.1 . . ?
C7_18 C12_18 H12_18 119.1 . . ?
O2_18 C13_18 O1_18 124.1(6) . . ?
O2_18 C13_18 C10_18 120.6(5) . . ?
O1_18 C13_18 C10_18 115.3(5) . . ?
C19_18 C14_18 C15_18 118.4(5) . . ?
C19_18 C14_18 C3_18 122.3(6) . . ?
C15_18 C14_18 C3_18 119.3(5) . . ?
C16_18 C15_18 C14_18 119.4(6) . . ?
C16_18 C15_18 H15_18 120.3 . . ?
C14_18 C15_18 H15_18 120.3 . . ?
C15_18 C16_18 C17_18 123.6(6) . . ?
C15_18 C16_18 H16_18 118.2 . . ?
C17_18 C16_18 H16_18 118.2 . . ?
C16_18 C17_18 C18_18 117.8(6) . . ?
C16_18 C17_18 C20_18 123.8(6) . . ?
C18_18 C17_18 C20_18 118.4(6) . . ?
C17_18 C18_18 C19_18 120.1(6) . . ?
C17_18 C18_18 H18_18 119.9 . . ?
C19_18 C18_18 H18_18 119.9 . . ?
C14_18 C19_18 C18_18 120.6(6) . . ?
C14_18 C19_18 H19_18 119.7 . . ?
C18_18 C19_18 H19_18 119.7 . . ?
O4_18 C20_18 O3_18 121.6(6) . . ?
O4_18 C20_18 C17_18 121.2(7) . . ?
O3_18 C20_18 C17_18 117.3(7) . . ?
C26_18 C21_18 C22_18 118.7(5) . . ?
C26_18 C21_18 C5_18 119.7(5) . . ?
C22_18 C21_18 C5_18 121.5(5) . . ?
C21_18 C22_18 C23_18 120.1(6) . . ?
C21_18 C22_18 H22_18 119.9 . . ?
C23_18 C22_18 H22_18 119.9 . . ?
C24_18 C23_18 C22_18 121.2(6) . . ?
C24_18 C23_18 H23_18 119.4 . . ?
C22_18 C23_18 H23_18 119.4 . . ?
C23_18 C24_18 C25_18 120.6(5) . . ?
C23_18 C24_18 C27_18 123.5(5) . . ?
C25_18 C24_18 C27_18 115.8(6) . . ?
C26_18 C25_18 C24_18 116.6(6) . . ?
C26_18 C25_18 H25_18 121.7 . . ?
C24_18 C25_18 H25_18 121.7 . . ?
C21_18 C26_18 C25_18 122.7(6) . . ?
C21_18 C26_18 H26_18 118.6 . . ?
C25_18 C26_18 H26_18 118.6 . . ?
O6_18 C27_18 O5_18 124.5(5) . . ?
O6_18 C27_18 C24_18 121.1(6) . . ?
O5_18 C27_18 C24_18 114.1(6) . . ?
C13_18 O1_18 H1A_18 109.5 . . ?
C20_18 O3_18 H3A_18 109.5 . . ?
C27_18 O6_18 H6A_18 109.5 . . ?
C2_19 C1_19 C6_19 117.5(6) . . ?
C2_19 C1_19 C7_19 121.7(5) . . ?
C6_19 C1_19 C7_19 120.8(5) . . ?
C1_19 C2_19 C3_19 122.9(5) . . ?
C1_19 C2_19 H2_19 118.5 . . ?
C3_19 C2_19 H2_19 118.5 . . ?
C4_19 C3_19 C2_19 117.4(5) . . ?
C4_19 C3_19 C14_19 120.2(5) . . ?
C2_19 C3_19 C14_19 122.4(5) . . ?
C3_19 C4_19 C5_19 122.7(6) . . ?
C3_19 C4_19 H4_19 118.6 . . ?
C5_19 C4_19 H4_19 118.6 . . ?
C4_19 C5_19 C6_19 117.0(5) . . ?
C4_19 C5_19 C21_19 122.2(6) . . ?
C6_19 C5_19 C21_19 120.8(5) . . ?
C1_19 C6_19 C5_19 122.4(5) . . ?
C1_19 C6_19 H6_19 118.8 . . ?
C5_19 C6_19 H6_19 118.8 . . ?
C8_19 C7_19 C12_19 118.6(6) . . ?
C8_19 C7_19 C1_19 119.7(5) . . ?
C12_19 C7_19 C1_19 121.6(5) . . ?
C7_19 C8_19 C9_19 120.7(5) . . ?
C7_19 C8_19 H8_19 119.7 . . ?
C9_19 C8_19 H8_19 119.7 . . ?
C8_19 C9_19 C10_19 120.2(6) . . ?
C8_19 C9_19 H9_19 119.9 . . ?
C10_19 C9_19 H9_19 119.9 . . ?
C11_19 C10_19 C9_19 119.2(6) . . ?
C11_19 C10_19 C13_19 122.2(5) . . ?
C9_19 C10_19 C13_19 118.5(5) . . ?
C10_19 C11_19 C12_19 119.9(6) . . ?
C10_19 C11_19 H11_19 120.1 . . ?
C12_19 C11_19 H11_19 120.1 . . ?
C7_19 C12_19 C11_19 121.3(5) . . ?
C7_19 C12_19 H12_19 119.4 . . ?
C11_19 C12_19 H12_19 119.4 . . ?
O1_19 C13_19 O2_19 123.3(6) . . ?
O1_19 C13_19 C10_19 120.3(5) . . ?
O2_19 C13_19 C10_19 116.3(5) . . ?
C15_19 C14_19 C19_19 119.1(5) . . ?
C15_19 C14_19 C3_19 120.7(5) . . ?
C19_19 C14_19 C3_19 120.2(6) . . ?
C14_19 C15_19 C16_19 121.9(6) . . ?
C14_19 C15_19 H15_19 119.0 . . ?
C16_19 C15_19 H15_19 119.0 . . ?
C15_19 C16_19 C17_19 118.6(6) . . ?
C15_19 C16_19 H16_19 120.7 . . ?
C17_19 C16_19 H16_19 120.7 . . ?
C18_19 C17_19 C16_19 119.1(6) . . ?
C18_19 C17_19 C20_19 122.7(6) . . ?
C16_19 C17_19 C20_19 118.2(6) . . ?
C17_19 C18_19 C19_19 123.3(6) . . ?
C17_19 C18_19 H18_19 118.4 . . ?
C19_19 C18_19 H18_19 118.4 . . ?
C18_19 C19_19 C14_19 117.8(6) . . ?
C18_19 C19_19 H19_19 121.1 . . ?
C14_19 C19_19 H19_19 121.1 . . ?
O3_19 C20_19 O4_19 123.7(5) . . ?
O3_19 C20_19 C17_19 120.8(6) . . ?
O4_19 C20_19 C17_19 115.4(6) . . ?
C26_19 C21_19 C22_19 119.9(5) . . ?
C26_19 C21_19 C5_19 119.0(5) . . ?
C22_19 C21_19 C5_19 121.0(6) . . ?
C21_19 C22_19 C23_19 121.0(6) . . ?
C21_19 C22_19 H22_19 119.5 . . ?
C23_19 C22_19 H22_19 119.5 . . ?
C24_19 C23_19 C22_19 117.9(6) . . ?
C24_19 C23_19 H23_19 121.0 . . ?
C22_19 C23_19 H23_19 121.0 . . ?
C23_19 C24_19 C25_19 122.3(6) . . ?
C23_19 C24_19 C27_19 116.5(6) . . ?
C25_19 C24_19 C27_19 121.1(6) . . ?
C24_19 C25_19 C26_19 117.3(6) . . ?
C24_19 C25_19 H25_19 121.4 . . ?
C26_19 C25_19 H25_19 121.4 . . ?
C21_19 C26_19 C25_19 121.5(6) . . ?
C21_19 C26_19 H26_19 119.3 . . ?
C25_19 C26_19 H26_19 119.3 . . ?
O5_19 C27_19 O6_19 121.9(6) . . ?
O5_19 C27_19 C24_19 122.2(7) . . ?
O6_19 C27_19 C24_19 115.7(6) . . ?
C13_19 O2_19 H2A_19 109.5 . . ?
C20_19 O3_19 H3A_19 109.5 . . ?
C27_19 O6_19 H6A_19 109.5 . . ?
C6_20 C1_20 C2_20 116.2(6) . . ?
C6_20 C1_20 C7_20 121.0(5) . . ?
C2_20 C1_20 C7_20 122.9(5) . . ?
C3_20 C2_20 C1_20 122.1(6) . . ?
C3_20 C2_20 H2_20 119.0 . . ?
C1_20 C2_20 H2_20 119.0 . . ?
C2_20 C3_20 C4_20 119.8(5) . . ?
C2_20 C3_20 C14_20 121.1(5) . . ?
C4_20 C3_20 C14_20 118.9(5) . . ?
C3_20 C4_20 C5_20 121.1(6) . . ?
C3_20 C4_20 H4_20 119.4 . . ?
C5_20 C4_20 H4_20 119.4 . . ?
C6_20 C5_20 C4_20 118.1(6) . . ?
C6_20 C5_20 C21_20 121.4(5) . . ?
C4_20 C5_20 C21_20 120.4(6) . . ?
C5_20 C6_20 C1_20 122.5(5) . . ?
C5_20 C6_20 H6_20 118.7 . . ?
C1_20 C6_20 H6_20 118.7 . . ?
C12_20 C7_20 C8_20 120.6(6) . . ?
C12_20 C7_20 C1_20 121.2(6) . . ?
C8_20 C7_20 C1_20 118.2(5) . . ?
C7_20 C8_20 C9_20 118.1(6) . . ?
C7_20 C8_20 H8_20 121.0 . . ?
C9_20 C8_20 H8_20 121.0 . . ?
C8_20 C9_20 C10_20 122.1(6) . . ?
C8_20 C9_20 H9_20 119.0 . . ?
C10_20 C9_20 H9_20 119.0 . . ?
C11_20 C10_20 C9_20 118.4(6) . . ?
C11_20 C10_20 C13_20 122.3(6) . . ?
C9_20 C10_20 C13_20 119.3(6) . . ?
C10_20 C11_20 C12_20 120.2(6) . . ?
C10_20 C11_20 H11_20 119.9 . . ?
C12_20 C11_20 H11_20 119.9 . . ?
C7_20 C12_20 C11_20 120.7(6) . . ?
C7_20 C12_20 H12_20 119.7 . . ?
C11_20 C12_20 H12_20 119.7 . . ?
O1_20 C13_20 O2_20 122.0(6) . . ?
O1_20 C13_20 C10_20 120.8(6) . . ?
O2_20 C13_20 C10_20 117.2(6) . . ?
C15_20 C14_20 C19_20 120.6(5) . . ?
C15_20 C14_20 C3_20 121.0(5) . . ?
C19_20 C14_20 C3_20 118.4(5) . . ?
C14_20 C15_20 C16_20 120.9(6) . . ?
C14_20 C15_20 H15_20 119.5 . . ?
C16_20 C15_20 H15_20 119.5 . . ?
C15_20 C16_20 C17_20 119.1(6) . . ?
C15_20 C16_20 H16_20 120.5 . . ?
C17_20 C16_20 H16_20 120.5 . . ?
C18_20 C17_20 C16_20 120.5(5) . . ?
C18_20 C17_20 C20_20 120.2(5) . . ?
C16_20 C17_20 C20_20 119.1(6) . . ?
C19_20 C18_20 C17_20 121.2(6) . . ?
C19_20 C18_20 H18_20 119.4 . . ?
C17_20 C18_20 H18_20 119.4 . . ?
C18_20 C19_20 C14_20 117.6(6) . . ?
C18_20 C19_20 H19_20 121.2 . . ?
C14_20 C19_20 H19_20 121.2 . . ?
O3_20 C20_20 O4_20 123.4(6) . . ?
O3_20 C20_20 C17_20 117.2(5) . . ?
O4_20 C20_20 C17_20 119.0(6) . . ?
C26_20 C21_20 C22_20 118.1(6) . . ?
C26_20 C21_20 C5_20 121.5(6) . . ?
C22_20 C21_20 C5_20 120.3(6) . . ?
C23_20 C22_20 C21_20 121.4(6) . . ?
C23_20 C22_20 H22_20 119.3 . . ?
C21_20 C22_20 H22_20 119.3 . . ?
C22_20 C23_20 C24_20 119.4(6) . . ?
C22_20 C23_20 H23_20 120.3 . . ?
C24_20 C23_20 H23_20 120.3 . . ?
C23_20 C24_20 C25_20 120.5(6) . . ?
C23_20 C24_20 C27_20 119.1(6) . . ?
C25_20 C24_20 C27_20 120.3(7) . . ?
C26_20 C25_20 C24_20 117.9(7) . . ?
C26_20 C25_20 H25_20 121.0 . . ?
C24_20 C25_20 H25_20 121.0 . . ?
C21_20 C26_20 C25_20 122.6(6) . . ?
C21_20 C26_20 H26_20 118.7 . . ?
C25_20 C26_20 H26_20 118.7 . . ?
O5_20 C27_20 O6_20 119.8(6) . . ?
O5_20 C27_20 C24_20 121.3(7) . . ?
O6_20 C27_20 C24_20 118.9(6) . . ?
C13_20 O1_20 H1A_20 109.5 . . ?
C13_20 O2_20 H2A_20 109.5 . . ?
C20_20 O3_20 H3A_20 109.5 . . ?
C27_20 O6_20 H6A_20 109.5 . . ?
C6_21 C1_21 C2_21 118.1(6) . . ?
C6_21 C1_21 C7_21 120.6(5) . . ?
C2_21 C1_21 C7_21 121.2(5) . . ?
C3_21 C2_21 C1_21 121.2(6) . . ?
C3_21 C2_21 H2_21 119.4 . . ?
C1_21 C2_21 H2_21 119.4 . . ?
C2_21 C3_21 C4_21 120.9(5) . . ?
C2_21 C3_21 C14_21 120.1(5) . . ?
C4_21 C3_21 C14_21 119.0(5) . . ?
C3_21 C4_21 C5_21 118.7(6) . . ?
C3_21 C4_21 H4_21 120.7 . . ?
C5_21 C4_21 H4_21 120.7 . . ?
C6_21 C5_21 C4_21 119.4(6) . . ?
C6_21 C5_21 C21_21 121.6(5) . . ?
C4_21 C5_21 C21_21 119.0(6) . . ?
C1_21 C6_21 C5_21 121.7(5) . . ?
C1_21 C6_21 H6_21 119.2 . . ?
C5_21 C6_21 H6_21 119.2 . . ?
C12_21 C7_21 C8_21 119.7(6) . . ?
C12_21 C7_21 C1_21 120.5(6) . . ?
C8_21 C7_21 C1_21 119.6(5) . . ?
C7_21 C8_21 C9_21 120.2(6) . . ?
C7_21 C8_21 H8_21 119.9 . . ?
C9_21 C8_21 H8_21 119.9 . . ?
C8_21 C9_21 C10_21 119.4(6) . . ?
C8_21 C9_21 H9_21 120.3 . . ?
C10_21 C9_21 H9_21 120.3 . . ?
C11_21 C10_21 C9_21 120.0(6) . . ?
C11_21 C10_21 C13_21 119.3(6) . . ?
C9_21 C10_21 C13_21 120.6(6) . . ?
C10_21 C11_21 C12_21 119.6(6) . . ?
C10_21 C11_21 H11_21 120.2 . . ?
C12_21 C11_21 H11_21 120.2 . . ?
C7_21 C12_21 C11_21 120.9(6) . . ?
C7_21 C12_21 H12_21 119.6 . . ?
C11_21 C12_21 H12_21 119.6 . . ?
O2_21 C13_21 O1_21 123.3(7) . . ?
O2_21 C13_21 C10_21 118.7(7) . . ?
O1_21 C13_21 C10_21 118.0(6) . . ?
C15_21 C14_21 C19_21 120.7(5) . . ?
C15_21 C14_21 C3_21 119.3(5) . . ?
C19_21 C14_21 C3_21 120.0(6) . . ?
C14_21 C15_21 C16_21 119.8(6) . . ?
C14_21 C15_21 H15_21 120.1 . . ?
C16_21 C15_21 H15_21 120.1 . . ?
C15_21 C16_21 C17_21 119.6(6) . . ?
C15_21 C16_21 H16_21 120.2 . . ?
C17_21 C16_21 H16_21 120.2 . . ?
C18_21 C17_21 C16_21 118.6(5) . . ?
C18_21 C17_21 C20_21 122.6(6) . . ?
C16_21 C17_21 C20_21 118.4(6) . . ?
C17_21 C18_21 C19_21 122.8(6) . . ?
C17_21 C18_21 H18_21 118.6 . . ?
C19_21 C18_21 H18_21 118.6 . . ?
C14_21 C19_21 C18_21 118.2(6) . . ?
C14_21 C19_21 H19_21 120.9 . . ?
C18_21 C19_21 H19_21 120.9 . . ?
O4_21 C20_21 O3_21 124.3(6) . . ?
O4_21 C20_21 C17_21 117.9(6) . . ?
O3_21 C20_21 C17_21 117.5(6) . . ?
C22_21 C21_21 C26_21 117.9(6) . . ?
C22_21 C21_21 C5_21 120.6(6) . . ?
C26_21 C21_21 C5_21 121.3(5) . . ?
C23_21 C22_21 C21_21 121.2(6) . . ?
C23_21 C22_21 H22_21 119.4 . . ?
C21_21 C22_21 H22_21 119.4 . . ?
C22_21 C23_21 C24_21 121.1(6) . . ?
C22_21 C23_21 H23_21 119.5 . . ?
C24_21 C23_21 H23_21 119.5 . . ?
C25_21 C24_21 C23_21 118.1(6) . . ?
C25_21 C24_21 C27_21 122.1(6) . . ?
C23_21 C24_21 C27_21 119.5(6) . . ?
C26_21 C25_21 C24_21 120.4(6) . . ?
C26_21 C25_21 H25_21 119.8 . . ?
C24_21 C25_21 H25_21 119.8 . . ?
C25_21 C26_21 C21_21 120.9(5) . . ?
C25_21 C26_21 H26_21 119.5 . . ?
C21_21 C26_21 H26_21 119.5 . . ?
O5_21 C27_21 O6_21 124.4(6) . . ?
O5_21 C27_21 C24_21 119.9(7) . . ?
O6_21 C27_21 C24_21 115.5(6) . . ?
C13_21 O2_21 H2A_21 109.5 . . ?
C20_21 O3_21 H3A_21 109.5 . . ?
C27_21 O6_21 H6A_21 109.5 . . ?
C2_22 C1_22 C6_22 115.4(6) . . ?
C2_22 C1_22 C7_22 122.7(5) . . ?
C6_22 C1_22 C7_22 121.9(5) . . ?
C3_22 C2_22 C1_22 123.1(6) . . ?
C3_22 C2_22 H2_22 118.5 . . ?
C1_22 C2_22 H2_22 118.5 . . ?
C2_22 C3_22 C4_22 118.1(5) . . ?
C2_22 C3_22 C14_22 119.4(6) . . ?
C4_22 C3_22 C14_22 122.2(6) . . ?
C5_22 C4_22 C3_22 121.8(6) . . ?
C5_22 C4_22 H4_22 119.1 . . ?
C3_22 C4_22 H4_22 119.1 . . ?
C4_22 C5_22 C6_22 117.0(6) . . ?
C4_22 C5_22 C21_22 122.5(5) . . ?
C6_22 C5_22 C21_22 120.3(5) . . ?
C5_22 C6_22 C1_22 124.3(5) . . ?
C5_22 C6_22 H6_22 117.9 . . ?
C1_22 C6_22 H6_22 117.9 . . ?
C8_22 C7_22 C12_22 119.5(6) . . ?
C8_22 C7_22 C1_22 120.6(5) . . ?
C12_22 C7_22 C1_22 119.9(6) . . ?
C7_22 C8_22 C9_22 120.0(5) . . ?
C7_22 C8_22 H8_22 120.0 . . ?
C9_22 C8_22 H8_22 120.0 . . ?
C8_22 C9_22 C10_22 120.0(6) . . ?
C8_22 C9_22 H9_22 120.0 . . ?
C10_22 C9_22 H9_22 120.0 . . ?
C11_22 C10_22 C9_22 118.5(6) . . ?
C11_22 C10_22 C13_22 119.3(5) . . ?
C9_22 C10_22 C13_22 122.2(6) . . ?
C12_22 C11_22 C10_22 121.1(6) . . ?
C12_22 C11_22 H11_22 119.5 . . ?
C10_22 C11_22 H11_22 119.5 . . ?
C11_22 C12_22 C7_22 120.8(6) . . ?
C11_22 C12_22 H12_22 119.6 . . ?
C7_22 C12_22 H12_22 119.6 . . ?
O2_22 C13_22 O1_22 122.7(6) . . ?
O2_22 C13_22 C10_22 121.3(6) . . ?
O1_22 C13_22 C10_22 115.9(5) . . ?
C19_22 C14_22 C15_22 118.4(6) . . ?
C19_22 C14_22 C3_22 122.9(6) . . ?
C15_22 C14_22 C3_22 118.2(6) . . ?
C16_22 C15_22 C14_22 119.9(6) . . ?
C16_22 C15_22 H15_22 120.1 . . ?
C14_22 C15_22 H15_22 120.1 . . ?
C15_22 C16_22 C17_22 118.9(6) . . ?
C15_22 C16_22 H16_22 120.5 . . ?
C17_22 C16_22 H16_22 120.5 . . ?
C18_22 C17_22 C16_22 121.9(6) . . ?
C18_22 C17_22 C20_22 119.1(6) . . ?
C16_22 C17_22 C20_22 119.0(6) . . ?
C17_22 C18_22 C19_22 118.2(7) . . ?
C17_22 C18_22 H18_22 120.9 . . ?
C19_22 C18_22 H18_22 120.9 . . ?
C18_22 C19_22 C14_22 122.5(7) . . ?
C18_22 C19_22 H19_22 118.8 . . ?
C14_22 C19_22 H19_22 118.8 . . ?
O4_22 C20_22 O3_22 124.9(6) . . ?
O4_22 C20_22 C17_22 119.1(7) . . ?
O3_22 C20_22 C17_22 115.9(6) . . ?
C26_22 C21_22 C22_22 117.8(6) . . ?
C26_22 C21_22 C5_22 120.9(5) . . ?
C22_22 C21_22 C5_22 121.1(6) . . ?
C23_22 C22_22 C21_22 121.5(6) . . ?
C23_22 C22_22 H22_22 119.2 . . ?
C21_22 C22_22 H22_22 119.2 . . ?
C22_22 C23_22 C24_22 120.1(6) . . ?
C22_22 C23_22 H23_22 119.9 . . ?
C24_22 C23_22 H23_22 119.9 . . ?
C23_22 C24_22 C25_22 120.5(6) . . ?
C23_22 C24_22 C27_22 121.9(6) . . ?
C25_22 C24_22 C27_22 117.7(6) . . ?
C24_22 C25_22 C26_22 118.9(6) . . ?
C24_22 C25_22 H25_22 120.5 . . ?
C26_22 C25_22 H25_22 120.5 . . ?
C21_22 C26_22 C25_22 121.0(6) . . ?
C21_22 C26_22 H26_22 119.5 . . ?
C25_22 C26_22 H26_22 119.5 . . ?
O5_22 C27_22 O6_22 123.7(6) . . ?
O5_22 C27_22 C24_22 120.0(7) . . ?
O6_22 C27_22 C24_22 116.2(6) . . ?
C13_22 O1_22 H1A_22 109.5 . . ?
C20_22 O3_22 H3A_22 109.5 . . ?
C27_22 O6_22 H6A_22 109.5 . . ?
C2_23 C1_23 C6_23 117.0(6) . . ?
C2_23 C1_23 C7_23 121.8(5) . . ?
C6_23 C1_23 C7_23 121.2(5) . . ?
C1_23 C2_23 C3_23 121.4(6) . . ?
C1_23 C2_23 H2_23 119.3 . . ?
C3_23 C2_23 H2_23 119.3 . . ?
C4_23 C3_23 C2_23 120.3(6) . . ?
C4_23 C3_23 C14_23 119.8(6) . . ?
C2_23 C3_23 C14_23 119.9(5) . . ?
C3_23 C4_23 C5_23 120.0(6) . . ?
C3_23 C4_23 H4_23 120.0 . . ?
C5_23 C4_23 H4_23 120.0 . . ?
C6_23 C5_23 C4_23 118.4(5) . . ?
C6_23 C5_23 C21_23 121.1(5) . . ?
C4_23 C5_23 C21_23 120.3(6) . . ?
C5_23 C6_23 C1_23 122.8(6) . . ?
C5_23 C6_23 H6_23 118.6 . . ?
C1_23 C6_23 H6_23 118.6 . . ?
C12_23 C7_23 C8_23 116.6(6) . . ?
C12_23 C7_23 C1_23 122.7(5) . . ?
C8_23 C7_23 C1_23 120.6(5) . . ?
C9_23 C8_23 C7_23 120.6(6) . . ?
C9_23 C8_23 H8_23 119.7 . . ?
C7_23 C8_23 H8_23 119.7 . . ?
C10_23 C9_23 C8_23 120.1(6) . . ?
C10_23 C9_23 H9_23 119.9 . . ?
C8_23 C9_23 H9_23 119.9 . . ?
C11_23 C10_23 C9_23 119.9(6) . . ?
C11_23 C10_23 C13_23 121.0(6) . . ?
C9_23 C10_23 C13_23 119.0(5) . . ?
C10_23 C11_23 C12_23 119.9(6) . . ?
C10_23 C11_23 H11_23 120.0 . . ?
C12_23 C11_23 H11_23 120.0 . . ?
C11_23 C12_23 C7_23 122.5(5) . . ?
C11_23 C12_23 H12_23 118.7 . . ?
C7_23 C12_23 H12_23 118.7 . . ?
O1_23 C13_23 O2_23 121.9(6) . . ?
O1_23 C13_23 C10_23 121.8(5) . . ?
O2_23 C13_23 C10_23 116.3(5) . . ?
C19_23 C14_23 C15_23 117.7(6) . . ?
C19_23 C14_23 C3_23 123.4(6) . . ?
C15_23 C14_23 C3_23 118.9(5) . . ?
C14_23 C15_23 C16_23 121.3(6) . . ?
C14_23 C15_23 H15_23 119.3 . . ?
C16_23 C15_23 H15_23 119.3 . . ?
C17_23 C16_23 C15_23 117.2(7) . . ?
C17_23 C16_23 H16_23 121.4 . . ?
C15_23 C16_23 H16_23 121.4 . . ?
C16_23 C17_23 C18_23 123.5(6) . . ?
C16_23 C17_23 C20_23 117.5(7) . . ?
C18_23 C17_23 C20_23 119.0(6) . . ?
C17_23 C18_23 C19_23 118.1(6) . . ?
C17_23 C18_23 H18_23 120.9 . . ?
C19_23 C18_23 H18_23 120.9 . . ?
C14_23 C19_23 C18_23 122.2(6) . . ?
C14_23 C19_23 H19_23 118.9 . . ?
C18_23 C19_23 H19_23 118.9 . . ?
O4_23 C20_23 O3_23 123.9(7) . . ?
O4_23 C20_23 C17_23 119.0(8) . . ?
O3_23 C20_23 C17_23 116.9(6) . . ?
C22_23 C21_23 C26_23 119.4(6) . . ?
C22_23 C21_23 C5_23 122.1(6) . . ?
C26_23 C21_23 C5_23 118.5(6) . . ?
C21_23 C22_23 C23_23 121.5(6) . . ?
C21_23 C22_23 H22_23 119.2 . . ?
C23_23 C22_23 H22_23 119.2 . . ?
C22_23 C23_23 C24_23 120.6(6) . . ?
C22_23 C23_23 H23_23 119.7 . . ?
C24_23 C23_23 H23_23 119.7 . . ?
C25_23 C24_23 C23_23 119.0(6) . . ?
C25_23 C24_23 C27_23 120.6(6) . . ?
C23_23 C24_23 C27_23 120.3(6) . . ?
C26_23 C25_23 C24_23 117.8(6) . . ?
C26_23 C25_23 H25_23 121.1 . . ?
C24_23 C25_23 H25_23 121.1 . . ?
C21_23 C26_23 C25_23 121.4(6) . . ?
C21_23 C26_23 H26_23 119.3 . . ?
C25_23 C26_23 H26_23 119.3 . . ?
O5_23 C27_23 O6_23 123.8(6) . . ?
O5_23 C27_23 C24_23 120.8(7) . . ?
O6_23 C27_23 C24_23 115.4(6) . . ?
C13_23 O2_23 H2A_23 109.5 . . ?
C20_23 O3_23 H3A_23 109.5 . . ?
C27_23 O6_23 H6A_23 109.5 . . ?
C2_24 C1_24 C6_24 116.2(6) . . ?
C2_24 C1_24 C7_24 121.8(5) . . ?
C6_24 C1_24 C7_24 122.0(5) . . ?
C1_24 C2_24 C3_24 121.5(5) . . ?
C1_24 C2_24 H2_24 119.2 . . ?
C3_24 C2_24 H2_24 119.2 . . ?
C4_24 C3_24 C2_24 119.1(5) . . ?
C4_24 C3_24 C14_24 121.0(5) . . ?
C2_24 C3_24 C14_24 119.8(5) . . ?
C3_24 C4_24 C5_24 122.1(6) . . ?
C3_24 C4_24 H4_24 119.0 . . ?
C5_24 C4_24 H4_24 119.0 . . ?
C4_24 C5_24 C6_24 117.3(5) . . ?
C4_24 C5_24 C21_24 121.5(6) . . ?
C6_24 C5_24 C21_24 121.1(5) . . ?
C5_24 C6_24 C1_24 123.7(5) . . ?
C5_24 C6_24 H6_24 118.2 . . ?
C1_24 C6_24 H6_24 118.2 . . ?
C8_24 C7_24 C12_24 116.4(6) . . ?
C8_24 C7_24 C1_24 122.0(5) . . ?
C12_24 C7_24 C1_24 121.6(5) . . ?
C9_24 C8_24 C7_24 122.0(6) . . ?
C9_24 C8_24 H8_24 119.0 . . ?
C7_24 C8_24 H8_24 119.0 . . ?
C10_24 C9_24 C8_24 120.1(6) . . ?
C10_24 C9_24 H9_24 120.0 . . ?
C8_24 C9_24 H9_24 120.0 . . ?
C9_24 C10_24 C11_24 118.8(6) . . ?
C9_24 C10_24 C13_24 121.5(6) . . ?
C11_24 C10_24 C13_24 119.5(6) . . ?
C12_24 C11_24 C10_24 120.4(6) . . ?
C12_24 C11_24 H11_24 119.8 . . ?
C10_24 C11_24 H11_24 119.8 . . ?
C11_24 C12_24 C7_24 122.2(6) . . ?
C11_24 C12_24 H12_24 118.9 . . ?
C7_24 C12_24 H12_24 118.9 . . ?
O2_24 C13_24 O1_24 121.7(7) . . ?
O2_24 C13_24 C10_24 119.6(7) . . ?
O1_24 C13_24 C10_24 118.7(6) . . ?
C15_24 C14_24 C19_24 120.2(5) . . ?
C15_24 C14_24 C3_24 120.3(5) . . ?
C19_24 C14_24 C3_24 119.6(6) . . ?
C16_24 C15_24 C14_24 120.6(6) . . ?
C16_24 C15_24 H15_24 119.7 . . ?
C14_24 C15_24 H15_24 119.7 . . ?
C15_24 C16_24 C17_24 119.9(6) . . ?
C15_24 C16_24 H16_24 120.1 . . ?
C17_24 C16_24 H16_24 120.1 . . ?
C18_24 C17_24 C16_24 119.5(6) . . ?
C18_24 C17_24 C20_24 120.8(6) . . ?
C16_24 C17_24 C20_24 119.7(7) . . ?
C19_24 C18_24 C17_24 122.5(6) . . ?
C19_24 C18_24 H18_24 118.7 . . ?
C17_24 C18_24 H18_24 118.7 . . ?
C18_24 C19_24 C14_24 117.3(6) . . ?
C18_24 C19_24 H19_24 121.4 . . ?
C14_24 C19_24 H19_24 121.4 . . ?
O3_24 C20_24 O4_24 124.2(7) . . ?
O3_24 C20_24 C17_24 117.8(7) . . ?
O4_24 C20_24 C17_24 118.0(8) . . ?
C26_24 C21_24 C22_24 120.7(5) . . ?
C26_24 C21_24 C5_24 119.0(5) . . ?
C22_24 C21_24 C5_24 120.3(6) . . ?
C23_24 C22_24 C21_24 119.5(6) . . ?
C23_24 C22_24 H22_24 120.2 . . ?
C21_24 C22_24 H22_24 120.2 . . ?
C22_24 C23_24 C24_24 120.7(5) . . ?
C22_24 C23_24 H23_24 119.7 . . ?
C24_24 C23_24 H23_24 119.7 . . ?
C25_24 C24_24 C23_24 119.5(6) . . ?
C25_24 C24_24 C27_24 122.4(6) . . ?
C23_24 C24_24 C27_24 118.1(5) . . ?
C24_24 C25_24 C26_24 119.7(6) . . ?
C24_24 C25_24 H25_24 120.2 . . ?
C26_24 C25_24 H25_24 120.2 . . ?
C21_24 C26_24 C25_24 119.9(6) . . ?
C21_24 C26_24 H26_24 120.1 . . ?
C25_24 C26_24 H26_24 120.1 . . ?
O5_24 C27_24 O6_24 126.4(6) . . ?
O5_24 C27_24 C24_24 119.9(6) . . ?
O6_24 C27_24 C24_24 113.6(6) . . ?
C13_24 O2_24 H2A_24 109.5 . . ?
C20_24 O3_24 H3A_24 109.5 . . ?
C27_24 O6_24 H6A_24 109.5 . . ?
C6_25 C1_25 C2_25 115.6(6) . . ?
C6_25 C1_25 C7_25 122.3(5) . . ?
C2_25 C1_25 C7_25 122.1(5) . . ?
C3_25 C2_25 C1_25 124.1(6) . . ?
C3_25 C2_25 H2_25 118.0 . . ?
C1_25 C2_25 H2_25 118.0 . . ?
C2_25 C3_25 C4_25 119.3(6) . . ?
C2_25 C3_25 C14_25 122.7(5) . . ?
C4_25 C3_25 C14_25 117.9(6) . . ?
C3_25 C4_25 C5_25 119.1(6) . . ?
C3_25 C4_25 H4_25 120.4 . . ?
C5_25 C4_25 H4_25 120.4 . . ?
C6_25 C5_25 C4_25 118.5(5) . . ?
C6_25 C5_25 C21_25 122.6(5) . . ?
C4_25 C5_25 C21_25 118.9(5) . . ?
C1_25 C6_25 C5_25 123.4(6) . . ?
C1_25 C6_25 H6_25 118.3 . . ?
C5_25 C6_25 H6_25 118.3 . . ?
C12_25 C7_25 C8_25 118.5(6) . . ?
C12_25 C7_25 C1_25 121.2(5) . . ?
C8_25 C7_25 C1_25 120.1(6) . . ?
C7_25 C8_25 C9_25 118.9(6) . . ?
C7_25 C8_25 H8_25 120.5 . . ?
C9_25 C8_25 H8_25 120.5 . . ?
C10_25 C9_25 C8_25 121.2(6) . . ?
C10_25 C9_25 H9_25 119.4 . . ?
C8_25 C9_25 H9_25 119.4 . . ?
C9_25 C10_25 C11_25 119.3(6) . . ?
C9_25 C10_25 C13_25 120.2(6) . . ?
C11_25 C10_25 C13_25 120.5(6) . . ?
C12_25 C11_25 C10_25 119.6(6) . . ?
C12_25 C11_25 H11_25 120.2 . . ?
C10_25 C11_25 H11_25 120.2 . . ?
C11_25 C12_25 C7_25 122.2(6) . . ?
C11_25 C12_25 H12_25 118.9 . . ?
C7_25 C12_25 H12_25 118.9 . . ?
O2_25 C13_25 O1_25 121.5(6) . . ?
O2_25 C13_25 C10_25 119.8(6) . . ?
O1_25 C13_25 C10_25 118.7(6) . . ?
C19_25 C14_25 C15_25 120.2(6) . . ?
C19_25 C14_25 C3_25 119.6(6) . . ?
C15_25 C14_25 C3_25 120.1(5) . . ?
C16_25 C15_25 C14_25 119.7(6) . . ?
C16_25 C15_25 H15_25 120.1 . . ?
C14_25 C15_25 H15_25 120.1 . . ?
C15_25 C16_25 C17_25 118.5(6) . . ?
C15_25 C16_25 H16_25 120.7 . . ?
C17_25 C16_25 H16_25 120.7 . . ?
C18_25 C17_25 C16_25 121.6(6) . . ?
C18_25 C17_25 C20_25 120.4(6) . . ?
C16_25 C17_25 C20_25 117.9(6) . . ?
C17_25 C18_25 C19_25 120.3(6) . . ?
C17_25 C18_25 H18_25 119.8 . . ?
C19_25 C18_25 H18_25 119.8 . . ?
C14_25 C19_25 C18_25 119.5(6) . . ?
C14_25 C19_25 H19_25 120.2 . . ?
C18_25 C19_25 H19_25 120.3 . . ?
O4_25 C20_25 O3_25 123.7(6) . . ?
O4_25 C20_25 C17_25 120.0(7) . . ?
O3_25 C20_25 C17_25 116.2(6) . . ?
C26_25 C21_25 C22_25 118.0(5) . . ?
C26_25 C21_25 C5_25 123.1(5) . . ?
C22_25 C21_25 C5_25 118.9(5) . . ?
C23_25 C22_25 C21_25 120.2(6) . . ?
C23_25 C22_25 H22_25 119.9 . . ?
C21_25 C22_25 H22_25 119.9 . . ?
C22_25 C23_25 C24_25 121.0(6) . . ?
C22_25 C23_25 H23_25 119.5 . . ?
C24_25 C23_25 H23_25 119.5 . . ?
C25_25 C24_25 C23_25 118.2(5) . . ?
C25_25 C24_25 C27_25 121.8(6) . . ?
C23_25 C24_25 C27_25 120.0(6) . . ?
C24_25 C25_25 C26_25 121.3(6) . . ?
C24_25 C25_25 H25_25 119.3 . . ?
C26_25 C25_25 H25_25 119.3 . . ?
C21_25 C26_25 C25_25 121.3(6) . . ?
C21_25 C26_25 H26_25 119.4 . . ?
C25_25 C26_25 H26_25 119.4 . . ?
O6_25 C27_25 O5_25 125.1(6) . . ?
O6_25 C27_25 C24_25 117.8(6) . . ?
O5_25 C27_25 C24_25 117.1(7) . . ?
C13_25 O2_25 H2A_25 109.5 . . ?
C20_25 O3_25 H3A_25 109.5 . . ?
C27_25 O6_25 H6A_25 109.5 . . ?
C6_26 C1_26 C2_26 120.1(6) . . ?
C6_26 C1_26 C7_26 120.3(5) . . ?
C2_26 C1_26 C7_26 119.4(5) . . ?
C1_26 C2_26 C3_26 118.7(5) . . ?
C1_26 C2_26 H2_26 120.6 . . ?
C3_26 C2_26 H2_26 120.6 . . ?
C4_26 C3_26 C2_26 120.9(5) . . ?
C4_26 C3_26 C14_26 121.4(6) . . ?
C2_26 C3_26 C14_26 117.7(5) . . ?
C5_26 C4_26 C3_26 118.8(6) . . ?
C5_26 C4_26 H4_26 120.6 . . ?
C3_26 C4_26 H4_26 120.6 . . ?
C4_26 C5_26 C6_26 119.5(5) . . ?
C4_26 C5_26 C21_26 120.3(6) . . ?
C6_26 C5_26 C21_26 120.2(5) . . ?
C1_26 C6_26 C5_26 121.6(5) . . ?
C1_26 C6_26 H6_26 119.2 . . ?
C5_26 C6_26 H6_26 119.2 . . ?
C12_26 C7_26 C8_26 116.6(6) . . ?
C12_26 C7_26 C1_26 121.3(5) . . ?
C8_26 C7_26 C1_26 122.0(5) . . ?
C9_26 C8_26 C7_26 120.7(6) . . ?
C9_26 C8_26 H8_26 119.7 . . ?
C7_26 C8_26 H8_26 119.7 . . ?
C10_26 C9_26 C8_26 119.7(7) . . ?
C10_26 C9_26 H9_26 120.2 . . ?
C8_26 C9_26 H9_26 120.2 . . ?
C9_26 C10_26 C11_26 122.2(7) . . ?
C9_26 C10_26 C13_26 117.5(6) . . ?
C11_26 C10_26 C13_26 119.9(6) . . ?
C10_26 C11_26 C12_26 117.8(6) . . ?
C10_26 C11_26 H11_26 121.1 . . ?
C12_26 C11_26 H11_26 121.1 . . ?
C11_26 C12_26 C7_26 122.9(6) . . ?
C11_26 C12_26 H12_26 118.6 . . ?
C7_26 C12_26 H12_26 118.6 . . ?
O2_26 C13_26 O1_26 122.2(7) . . ?
O2_26 C13_26 C10_26 117.8(6) . . ?
O1_26 C13_26 C10_26 120.0(6) . . ?
C19_26 C14_26 C15_26 118.8(5) . . ?
C19_26 C14_26 C3_26 121.2(6) . . ?
C15_26 C14_26 C3_26 119.9(6) . . ?
C16_26 C15_26 C14_26 119.6(6) . . ?
C16_26 C15_26 H15_26 120.2 . . ?
C14_26 C15_26 H15_26 120.2 . . ?
C17_26 C16_26 C15_26 122.1(7) . . ?
C17_26 C16_26 H16_26 118.9 . . ?
C15_26 C16_26 H16_26 118.9 . . ?
C16_26 C17_26 C18_26 118.3(6) . . ?
C16_26 C17_26 C20_26 120.0(7) . . ?
C18_26 C17_26 C20_26 121.7(6) . . ?
C19_26 C18_26 C17_26 122.9(6) . . ?
C19_26 C18_26 H18_26 118.5 . . ?
C17_26 C18_26 H18_26 118.5 . . ?
C18_26 C19_26 C14_26 118.1(6) . . ?
C18_26 C19_26 H19_26 121.0 . . ?
C14_26 C19_26 H19_26 121.0 . . ?
O3_26 C20_26 O4_26 124.0(6) . . ?
O3_26 C20_26 C17_26 118.5(7) . . ?
O4_26 C20_26 C17_26 117.3(7) . . ?
C26_26 C21_26 C22_26 119.7(5) . . ?
C26_26 C21_26 C5_26 121.0(5) . . ?
C22_26 C21_26 C5_26 119.1(6) . . ?
C21_26 C22_26 C23_26 118.1(6) . . ?
C21_26 C22_26 H22_26 121.0 . . ?
C23_26 C22_26 H22_26 121.0 . . ?
C24_26 C23_26 C22_26 121.4(6) . . ?
C24_26 C23_26 H23_26 119.3 . . ?
C22_26 C23_26 H23_26 119.3 . . ?
C25_26 C24_26 C23_26 120.0(6) . . ?
C25_26 C24_26 C27_26 120.6(7) . . ?
C23_26 C24_26 C27_26 119.4(6) . . ?
C24_26 C25_26 C26_26 118.2(6) . . ?
C24_26 C25_26 H25_26 120.9 . . ?
C26_26 C25_26 H25_26 120.9 . . ?
C21_26 C26_26 C25_26 122.5(6) . . ?
C21_26 C26_26 H26_26 118.7 . . ?
C25_26 C26_26 H26_26 118.7 . . ?
O6_26 C27_26 O5_26 124.1(6) . . ?
O6_26 C27_26 C24_26 118.1(6) . . ?
O5_26 C27_26 C24_26 117.8(7) . . ?
C13_26 O2_26 H2A_26 109.5 . . ?
C20_26 O3_26 H3A_26 109.5 . . ?
C27_26 O6_26 H6A_26 109.5 . . ?
C2_27 C1_27 C6_27 118.5(6) . . ?
C2_27 C1_27 C7_27 121.1(5) . . ?
C6_27 C1_27 C7_27 120.5(5) . . ?
C1_27 C2_27 C3_27 122.0(6) . . ?
C1_27 C2_27 H2_27 119.0 . . ?
C3_27 C2_27 H2_27 119.0 . . ?
C4_27 C3_27 C2_27 118.4(6) . . ?
C4_27 C3_27 C14_27 120.8(6) . . ?
C2_27 C3_27 C14_27 120.7(5) . . ?
C3_27 C4_27 C5_27 121.7(6) . . ?
C3_27 C4_27 H4_27 119.1 . . ?
C5_27 C4_27 H4_27 119.1 . . ?
C6_27 C5_27 C4_27 117.2(5) . . ?
C6_27 C5_27 C21_27 123.5(5) . . ?
C4_27 C5_27 C21_27 119.3(6) . . ?
C1_27 C6_27 C5_27 122.1(6) . . ?
C1_27 C6_27 H6_27 119.0 . . ?
C5_27 C6_27 H6_27 119.0 . . ?
C8_27 C7_27 C12_27 119.4(6) . . ?
C8_27 C7_27 C1_27 120.0(5) . . ?
C12_27 C7_27 C1_27 120.5(5) . . ?
C7_27 C8_27 C9_27 121.4(6) . . ?
C7_27 C8_27 H8_27 119.3 . . ?
C9_27 C8_27 H8_27 119.3 . . ?
C8_27 C9_27 C10_27 118.7(6) . . ?
C8_27 C9_27 H9_27 120.7 . . ?
C10_27 C9_27 H9_27 120.7 . . ?
C11_27 C10_27 C9_27 118.8(6) . . ?
C11_27 C10_27 C13_27 123.7(6) . . ?
C9_27 C10_27 C13_27 117.5(6) . . ?
C12_27 C11_27 C10_27 120.7(6) . . ?
C12_27 C11_27 H11_27 119.6 . . ?
C10_27 C11_27 H11_27 119.6 . . ?
C11_27 C12_27 C7_27 120.9(6) . . ?
C11_27 C12_27 H12_27 119.5 . . ?
C7_27 C12_27 H12_27 119.5 . . ?
O1_27 C13_27 O2_27 126.5(7) . . ?
O1_27 C13_27 C10_27 120.8(6) . . ?
O2_27 C13_27 C10_27 112.6(6) . . ?
C15_27 C14_27 C19_27 117.3(6) . . ?
C15_27 C14_27 C3_27 121.4(6) . . ?
C19_27 C14_27 C3_27 121.3(6) . . ?
C14_27 C15_27 C16_27 123.1(7) . . ?
C14_27 C15_27 H15_27 118.5 . . ?
C16_27 C15_27 H15_27 118.5 . . ?
C17_27 C16_27 C15_27 117.6(7) . . ?
C17_27 C16_27 H16_27 121.2 . . ?
C15_27 C16_27 H16_27 121.2 . . ?
C18_27 C17_27 C16_27 118.6(6) . . ?
C18_27 C17_27 C20_27 120.8(7) . . ?
C16_27 C17_27 C20_27 120.6(7) . . ?
C19_27 C18_27 C17_27 122.0(6) . . ?
C19_27 C18_27 H18_27 119.0 . . ?
C17_27 C18_27 H18_27 119.0 . . ?
C18_27 C19_27 C14_27 121.3(7) . . ?
C18_27 C19_27 H19_27 119.4 . . ?
C14_27 C19_27 H19_27 119.4 . . ?
O3_27 C20_27 O4_27 122.7(7) . . ?
O3_27 C20_27 C17_27 118.9(7) . . ?
O4_27 C20_27 C17_27 118.3(8) . . ?
C26_27 C21_27 C22_27 115.5(6) . . ?
C26_27 C21_27 C5_27 122.7(6) . . ?
C22_27 C21_27 C5_27 121.8(6) . . ?
C23_27 C22_27 C21_27 122.7(6) . . ?
C23_27 C22_27 H22_27 118.6 . . ?
C21_27 C22_27 H22_27 118.6 . . ?
C22_27 C23_27 C24_27 120.1(6) . . ?
C22_27 C23_27 H23_27 119.9 . . ?
C24_27 C23_27 H23_27 119.9 . . ?
C25_27 C24_27 C23_27 115.2(6) . . ?
C25_27 C24_27 C27_27 127.2(7) . . ?
C23_27 C24_27 C27_27 117.6(6) . . ?
C26_27 C25_27 C24_27 126.7(7) . . ?
C26_27 C25_27 H25_27 116.7 . . ?
C24_27 C25_27 H25_27 116.7 . . ?
C25_27 C26_27 C21_27 119.7(6) . . ?
C25_27 C26_27 H26_27 120.2 . . ?
C21_27 C26_27 H26_27 120.2 . . ?
O5_27 C27_27 O6_27 121.7(7) . . ?
O5_27 C27_27 C24_27 126.0(8) . . ?
O6_27 C27_27 C24_27 112.3(6) . . ?
C13_27 O2_27 H2A_27 109.5 . . ?
C20_27 O3_27 H3A_27 109.5 . . ?
C27_27 O6_27 H6A_27 109.5 . . ?
C2_28 C1_28 C6_28 117.4(6) . . ?
C2_28 C1_28 C7_28 123.0(5) . . ?
C6_28 C1_28 C7_28 119.5(5) . . ?
C1_28 C2_28 C3_28 123.5(5) . . ?
C1_28 C2_28 H2_28 118.3 . . ?
C3_28 C2_28 H2_28 118.3 . . ?
C4_28 C3_28 C2_28 116.5(5) . . ?
C4_28 C3_28 C14_28 123.2(6) . . ?
C2_28 C3_28 C14_28 120.2(5) . . ?
C3_28 C4_28 C5_28 121.7(6) . . ?
C3_28 C4_28 H4_28 119.2 . . ?
C5_28 C4_28 H4_28 119.2 . . ?
C6_28 C5_28 C4_28 119.0(5) . . ?
C6_28 C5_28 C21_28 120.8(5) . . ?
C4_28 C5_28 C21_28 120.1(5) . . ?
C5_28 C6_28 C1_28 121.7(5) . . ?
C5_28 C6_28 H6_28 119.1 . . ?
C1_28 C6_28 H6_28 119.1 . . ?
C12_28 C7_28 C8_28 118.1(6) . . ?
C12_28 C7_28 C1_28 122.7(5) . . ?
C8_28 C7_28 C1_28 119.1(5) . . ?
C9_28 C8_28 C7_28 120.4(6) . . ?
C9_28 C8_28 H8_28 119.8 . . ?
C7_28 C8_28 H8_28 119.8 . . ?
C8_28 C9_28 C10_28 118.5(6) . . ?
C8_28 C9_28 H9_28 120.8 . . ?
C10_28 C9_28 H9_28 120.8 . . ?
C11_28 C10_28 C9_28 121.2(6) . . ?
C11_28 C10_28 C13_28 120.7(6) . . ?
C9_28 C10_28 C13_28 117.8(6) . . ?
C10_28 C11_28 C12_28 119.9(6) . . ?
C10_28 C11_28 H11_28 120.0 . . ?
C12_28 C11_28 H11_28 120.0 . . ?
C11_28 C12_28 C7_28 121.6(6) . . ?
C11_28 C12_28 H12_28 119.2 . . ?
C7_28 C12_28 H12_28 119.2 . . ?
O2_28 C13_28 O1_28 124.5(6) . . ?
O2_28 C13_28 C10_28 115.2(5) . . ?
O1_28 C13_28 C10_28 120.3(5) . . ?
C15_28 C14_28 C19_28 117.5(6) . . ?
C15_28 C14_28 C3_28 120.8(6) . . ?
C19_28 C14_28 C3_28 121.5(6) . . ?
C14_28 C15_28 C16_28 122.0(6) . . ?
C14_28 C15_28 H15_28 119.0 . . ?
C16_28 C15_28 H15_28 119.0 . . ?
C17_28 C16_28 C15_28 121.3(7) . . ?
C17_28 C16_28 H16_28 119.4 . . ?
C15_28 C16_28 H16_28 119.4 . . ?
C16_28 C17_28 C18_28 118.0(6) . . ?
C16_28 C17_28 C20_28 123.8(7) . . ?
C18_28 C17_28 C20_28 118.1(6) . . ?
C19_28 C18_28 C17_28 118.4(6) . . ?
C19_28 C18_28 H18_28 120.8 . . ?
C17_28 C18_28 H18_28 120.8 . . ?
C18_28 C19_28 C14_28 122.5(6) . . ?
C18_28 C19_28 H19_28 118.8 . . ?
C14_28 C19_28 H19_28 118.8 . . ?
O4_28 C20_28 O3_28 122.7(6) . . ?
O4_28 C20_28 C17_28 120.8(7) . . ?
O3_28 C20_28 C17_28 116.4(6) . . ?
C22_28 C21_28 C26_28 119.1(5) . . ?
C22_28 C21_28 C5_28 120.8(6) . . ?
C26_28 C21_28 C5_28 120.0(5) . . ?
C21_28 C22_28 C23_28 117.9(6) . . ?
C21_28 C22_28 H22_28 121.0 . . ?
C23_28 C22_28 H22_28 121.0 . . ?
C24_28 C23_28 C22_28 122.8(6) . . ?
C24_28 C23_28 H23_28 118.6 . . ?
C22_28 C23_28 H23_28 118.6 . . ?
C25_28 C24_28 C23_28 117.8(6) . . ?
C25_28 C24_28 C27_28 123.3(7) . . ?
C23_28 C24_28 C27_28 118.9(6) . . ?
C24_28 C25_28 C26_28 123.9(7) . . ?
C24_28 C25_28 H25_28 118.1 . . ?
C26_28 C25_28 H25_28 118.1 . . ?
C25_28 C26_28 C21_28 118.5(6) . . ?
C25_28 C26_28 H26_28 120.7 . . ?
C21_28 C26_28 H26_28 120.7 . . ?
O5_28 C27_28 O6_28 124.1(6) . . ?
O5_28 C27_28 C24_28 121.0(7) . . ?
O6_28 C27_28 C24_28 114.8(6) . . ?
C13_28 O2_28 H2A_28 109.5 . . ?
C20_28 O3_28 H3A_28 109.5 . . ?
C27_28 O6_28 H6A_28 109.5 . . ?
C6_29 C1_29 C2_29 117.9(6) . . ?
C6_29 C1_29 C7_29 120.5(5) . . ?
C2_29 C1_29 C7_29 121.4(5) . . ?
C3_29 C2_29 C1_29 122.4(5) . . ?
C3_29 C2_29 H2_29 118.8 . . ?
C1_29 C2_29 H2_29 118.8 . . ?
C2_29 C3_29 C4_29 120.0(5) . . ?
C2_29 C3_29 C14_29 120.7(5) . . ?
C4_29 C3_29 C14_29 119.2(5) . . ?
C3_29 C4_29 C5_29 119.2(6) . . ?
C3_29 C4_29 H4_29 120.4 . . ?
C5_29 C4_29 H4_29 120.4 . . ?
C6_29 C5_29 C4_29 118.0(5) . . ?
C6_29 C5_29 C21_29 123.2(5) . . ?
C4_29 C5_29 C21_29 118.5(6) . . ?
C1_29 C6_29 C5_29 122.3(5) . . ?
C1_29 C6_29 H6_29 118.9 . . ?
C5_29 C6_29 H6_29 118.9 . . ?
C8_29 C7_29 C12_29 117.6(6) . . ?
C8_29 C7_29 C1_29 122.4(5) . . ?
C12_29 C7_29 C1_29 119.5(5) . . ?
C9_29 C8_29 C7_29 120.9(6) . . ?
C9_29 C8_29 H8_29 119.5 . . ?
C7_29 C8_29 H8_29 119.5 . . ?
C8_29 C9_29 C10_29 123.0(6) . . ?
C8_29 C9_29 H9_29 118.5 . . ?
C10_29 C9_29 H9_29 118.5 . . ?
C11_29 C10_29 C9_29 117.1(6) . . ?
C11_29 C10_29 C13_29 120.0(6) . . ?
C9_29 C10_29 C13_29 122.9(6) . . ?
C10_29 C11_29 C12_29 121.5(6) . . ?
C10_29 C11_29 H11_29 119.2 . . ?
C12_29 C11_29 H11_29 119.2 . . ?
C11_29 C12_29 C7_29 119.0(6) . . ?
C11_29 C12_29 H12_29 120.5 . . ?
C7_29 C12_29 H12_29 120.5 . . ?
O2_29 C13_29 O1_29 120.5(6) . . ?
O2_29 C13_29 C10_29 122.7(6) . . ?
O1_29 C13_29 C10_29 116.8(6) . . ?
C15_29 C14_29 C19_29 120.6(5) . . ?
C15_29 C14_29 C3_29 123.1(5) . . ?
C19_29 C14_29 C3_29 116.2(5) . . ?
C14_29 C15_29 C16_29 120.3(5) . . ?
C14_29 C15_29 H15_29 119.9 . . ?
C16_29 C15_29 H15_29 119.9 . . ?
C17_29 C16_29 C15_29 119.1(6) . . ?
C17_29 C16_29 H16_29 120.4 . . ?
C15_29 C16_29 H16_29 120.4 . . ?
C18_29 C17_29 C16_29 122.0(6) . . ?
C18_29 C17_29 C20_29 120.4(6) . . ?
C16_29 C17_29 C20_29 117.5(6) . . ?
C17_29 C18_29 C19_29 118.6(6) . . ?
C17_29 C18_29 H18_29 120.7 . . ?
C19_29 C18_29 H18_29 120.7 . . ?
C14_29 C19_29 C18_29 119.3(6) . . ?
C14_29 C19_29 H19_29 120.4 . . ?
C18_29 C19_29 H19_29 120.4 . . ?
O3_29 C20_29 O4_29 126.0(6) . . ?
O3_29 C20_29 C17_29 117.6(6) . . ?
O4_29 C20_29 C17_29 116.4(6) . . ?
C22_29 C21_29 C26_29 120.6(6) . . ?
C22_29 C21_29 C5_29 120.3(6) . . ?
C26_29 C21_29 C5_29 118.6(5) . . ?
C21_29 C22_29 C23_29 121.4(6) . . ?
C21_29 C22_29 H22_29 119.3 . . ?
C23_29 C22_29 H22_29 119.3 . . ?
C24_29 C23_29 C22_29 118.2(6) . . ?
C24_29 C23_29 H23_29 120.9 . . ?
C22_29 C23_29 H23_29 120.9 . . ?
C23_29 C24_29 C25_29 121.4(6) . . ?
C23_29 C24_29 C27_29 120.1(6) . . ?
C25_29 C24_29 C27_29 118.5(6) . . ?
C24_29 C25_29 C26_29 118.8(6) . . ?
C24_29 C25_29 H25_29 120.6 . . ?
C26_29 C25_29 H25_29 120.6 . . ?
C21_29 C26_29 C25_29 119.7(6) . . ?
C21_29 C26_29 H26_29 120.1 . . ?
C25_29 C26_29 H26_29 120.1 . . ?
O5_29 C27_29 O6_29 123.3(6) . . ?
O5_29 C27_29 C24_29 118.4(7) . . ?
O6_29 C27_29 C24_29 118.2(6) . . ?
C13_29 O1_29 H1A_29 109.5 . . ?
C20_29 O3_29 H3A_29 109.5 . . ?
C27_29 O6_29 H6A_29 109.5 . . ?
C6_30 C1_30 C2_30 118.6(6) . . ?
C6_30 C1_30 C7_30 122.2(5) . . ?
C2_30 C1_30 C7_30 119.1(5) . . ?
C3_30 C2_30 C1_30 121.5(5) . . ?
C3_30 C2_30 H2_30 119.3 . . ?
C1_30 C2_30 H2_30 119.3 . . ?
C2_30 C3_30 C4_30 120.0(5) . . ?
C2_30 C3_30 C14_30 119.5(5) . . ?
C4_30 C3_30 C14_30 120.5(5) . . ?
C5_30 C4_30 C3_30 118.4(6) . . ?
C5_30 C4_30 H4_30 120.8 . . ?
C3_30 C4_30 H4_30 120.8 . . ?
C4_30 C5_30 C6_30 120.5(5) . . ?
C4_30 C5_30 C21_30 119.8(6) . . ?
C6_30 C5_30 C21_30 119.7(5) . . ?
C1_30 C6_30 C5_30 121.0(5) . . ?
C1_30 C6_30 H6_30 119.5 . . ?
C5_30 C6_30 H6_30 119.5 . . ?
C12_30 C7_30 C8_30 116.2(6) . . ?
C12_30 C7_30 C1_30 123.1(6) . . ?
C8_30 C7_30 C1_30 120.7(5) . . ?
C9_30 C8_30 C7_30 121.3(6) . . ?
C9_30 C8_30 H8_30 119.4 . . ?
C7_30 C8_30 H8_30 119.4 . . ?
C8_30 C9_30 C10_30 119.2(6) . . ?
C8_30 C9_30 H9_30 120.4 . . ?
C10_30 C9_30 H9_30 120.4 . . ?
C11_30 C10_30 C9_30 122.4(6) . . ?
C11_30 C10_30 C13_30 120.3(6) . . ?
C9_30 C10_30 C13_30 117.2(6) . . ?
C10_30 C11_30 C12_30 116.7(6) . . ?
C10_30 C11_30 H11_30 121.6 . . ?
C12_30 C11_30 H11_30 121.6 . . ?
C7_30 C12_30 C11_30 124.0(6) . . ?
C7_30 C12_30 H12_30 118.0 . . ?
C11_30 C12_30 H12_30 118.0 . . ?
O1_30 C13_30 O2_30 125.5(7) . . ?
O1_30 C13_30 C10_30 121.6(6) . . ?
O2_30 C13_30 C10_30 112.8(6) . . ?
C19_30 C14_30 C15_30 116.9(5) . . ?
C19_30 C14_30 C3_30 119.9(6) . . ?
C15_30 C14_30 C3_30 123.3(5) . . ?
C16_30 C15_30 C14_30 119.9(5) . . ?
C16_30 C15_30 H15_30 120.1 . . ?
C14_30 C15_30 H15_30 120.1 . . ?
C15_30 C16_30 C17_30 121.4(6) . . ?
C15_30 C16_30 H16_30 119.3 . . ?
C17_30 C16_30 H16_30 119.3 . . ?
C18_30 C17_30 C16_30 119.1(5) . . ?
C18_30 C17_30 C20_30 121.0(5) . . ?
C16_30 C17_30 C20_30 119.9(6) . . ?
C19_30 C18_30 C17_30 117.4(6) . . ?
C19_30 C18_30 H18_30 121.3 . . ?
C17_30 C18_30 H18_30 121.3 . . ?
C18_30 C19_30 C14_30 125.3(6) . . ?
C18_30 C19_30 H19_30 117.3 . . ?
C14_30 C19_30 H19_30 117.3 . . ?
O4_30 C20_30 O3_30 123.7(6) . . ?
O4_30 C20_30 C17_30 117.8(6) . . ?
O3_30 C20_30 C17_30 118.5(6) . . ?
C22_30 C21_30 C26_30 119.9(5) . . ?
C22_30 C21_30 C5_30 122.6(5) . . ?
C26_30 C21_30 C5_30 117.5(5) . . ?
C21_30 C22_30 C23_30 123.3(6) . . ?
C21_30 C22_30 H22_30 118.4 . . ?
C23_30 C22_30 H22_30 118.4 . . ?
C22_30 C23_30 C24_30 118.0(5) . . ?
C22_30 C23_30 H23_30 121.0 . . ?
C24_30 C23_30 H23_30 121.0 . . ?
C25_30 C24_30 C27_30 125.1(6) . . ?
C25_30 C24_30 C23_30 117.6(6) . . ?
C27_30 C24_30 C23_30 117.3(6) . . ?
C24_30 C25_30 C26_30 122.2(6) . . ?
C24_30 C25_30 H25_30 118.9 . . ?
C26_30 C25_30 H25_30 118.9 . . ?
C21_30 C26_30 C25_30 118.8(5) . . ?
C21_30 C26_30 H26_30 120.6 . . ?
C25_30 C26_30 H26_30 120.6 . . ?
O5_30 C27_30 O6_30 120.8(6) . . ?
O5_30 C27_30 C24_30 124.3(7) . . ?
O6_30 C27_30 C24_30 114.9(6) . . ?
C13_30 O2_30 H2A_30 109.5 . . ?
C20_30 O3_30 H3A_30 109.5 . . ?
C27_30 O6_30 H6A_30 109.5 . . ?
C6_31 C1_31 C2_31 116.8(5) . . ?
C6_31 C1_31 C7_31 121.9(5) . . ?
C2_31 C1_31 C7_31 120.9(5) . . ?
C3_31 C2_31 C1_31 121.6(5) . . ?
C3_31 C2_31 H2_31 119.2 . . ?
C1_31 C2_31 H2_31 119.2 . . ?
C2_31 C3_31 C4_31 120.5(5) . . ?
C2_31 C3_31 C14_31 119.0(5) . . ?
C4_31 C3_31 C14_31 120.6(5) . . ?
C5_31 C4_31 C3_31 118.8(6) . . ?
C5_31 C4_31 H4_31 120.6 . . ?
C3_31 C4_31 H4_31 120.6 . . ?
C4_31 C5_31 C6_31 120.5(5) . . ?
C4_31 C5_31 C21_31 119.4(5) . . ?
C6_31 C5_31 C21_31 120.1(5) . . ?
C5_31 C6_31 C1_31 121.7(5) . . ?
C5_31 C6_31 H6_31 119.1 . . ?
C1_31 C6_31 H6_31 119.1 . . ?
C12_31 C7_31 C8_31 117.3(6) . . ?
C12_31 C7_31 C1_31 123.0(5) . . ?
C8_31 C7_31 C1_31 119.7(5) . . ?
C7_31 C8_31 C9_31 121.3(5) . . ?
C7_31 C8_31 H8_31 119.3 . . ?
C9_31 C8_31 H8_31 119.3 . . ?
C10_31 C9_31 C8_31 119.7(6) . . ?
C10_31 C9_31 H9_31 120.1 . . ?
C8_31 C9_31 H9_31 120.1 . . ?
C9_31 C10_31 C11_31 121.4(6) . . ?
C9_31 C10_31 C13_31 119.3(6) . . ?
C11_31 C10_31 C13_31 119.3(6) . . ?
C10_31 C11_31 C12_31 117.0(6) . . ?
C10_31 C11_31 H11_31 121.5 . . ?
C12_31 C11_31 H11_31 121.5 . . ?
C7_31 C12_31 C11_31 123.3(6) . . ?
C7_31 C12_31 H12_31 118.4 . . ?
C11_31 C12_31 H12_31 118.4 . . ?
O1_31 C13_31 O2_31 124.5(6) . . ?
O1_31 C13_31 C10_31 120.2(6) . . ?
O2_31 C13_31 C10_31 115.3(6) . . ?
C15_31 C14_31 C19_31 118.7(5) . . ?
C15_31 C14_31 C3_31 120.6(5) . . ?
C19_31 C14_31 C3_31 120.7(5) . . ?
C14_31 C15_31 C16_31 122.3(5) . . ?
C14_31 C15_31 H15_31 118.9 . . ?
C16_31 C15_31 H15_31 118.9 . . ?
C15_31 C16_31 C17_31 116.6(5) . . ?
C15_31 C16_31 H16_31 121.7 . . ?
C17_31 C16_31 H16_31 121.7 . . ?
C18_31 C17_31 C16_31 121.5(5) . . ?
C18_31 C17_31 C20_31 119.4(5) . . ?
C16_31 C17_31 C20_31 119.0(6) . . ?
C17_31 C18_31 C19_31 121.8(5) . . ?
C17_31 C18_31 H18_31 119.1 . . ?
C19_31 C18_31 H18_31 119.1 . . ?
C18_31 C19_31 C14_31 119.1(6) . . ?
C18_31 C19_31 H19_31 120.4 . . ?
C14_31 C19_31 H19_31 120.4 . . ?
O4_31 C20_31 O3_31 122.2(6) . . ?
O4_31 C20_31 C17_31 118.8(6) . . ?
O3_31 C20_31 C17_31 118.5(5) . . ?
C22_31 C21_31 C26_31 117.4(5) . . ?
C22_31 C21_31 C5_31 121.9(6) . . ?
C26_31 C21_31 C5_31 120.8(5) . . ?
C21_31 C22_31 C23_31 121.5(6) . . ?
C21_31 C22_31 H22_31 119.3 . . ?
C23_31 C22_31 H22_31 119.3 . . ?
C24_31 C23_31 C22_31 118.5(5) . . ?
C24_31 C23_31 H23_31 120.7 . . ?
C22_31 C23_31 H23_31 120.7 . . ?
C25_31 C24_31 C23_31 120.8(5) . . ?
C25_31 C24_31 C27_31 120.3(6) . . ?
C23_31 C24_31 C27_31 118.9(5) . . ?
C24_31 C25_31 C26_31 120.1(6) . . ?
C24_31 C25_31 H25_31 120.0 . . ?
C26_31 C25_31 H25_31 120.0 . . ?
C21_31 C26_31 C25_31 121.6(5) . . ?
C21_31 C26_31 H26_31 119.2 . . ?
C25_31 C26_31 H26_31 119.2 . . ?
O5_31 C27_31 O6_31 124.7(5) . . ?
O5_31 C27_31 C24_31 118.6(6) . . ?
O6_31 C27_31 C24_31 116.7(5) . . ?
C13_31 O2_31 H2A_31 109.5 . . ?
C20_31 O3_31 H3A_31 109.5 . . ?
C27_31 O6_31 H6A_31 109.5 . . ?
C6_32 C1_32 C2_32 118.3(5) . . ?
C6_32 C1_32 C7_32 121.5(5) . . ?
C2_32 C1_32 C7_32 120.0(5) . . ?
C1_32 C2_32 C3_32 119.7(5) . . ?
C1_32 C2_32 H2_32 120.2 . . ?
C3_32 C2_32 H2_32 120.2 . . ?
C4_32 C3_32 C2_32 118.4(5) . . ?
C4_32 C3_32 C14_32 122.5(6) . . ?
C2_32 C3_32 C14_32 118.9(5) . . ?
C3_32 C4_32 C5_32 123.0(6) . . ?
C3_32 C4_32 H4_32 118.5 . . ?
C5_32 C4_32 H4_32 118.5 . . ?
C4_32 C5_32 C6_32 117.2(5) . . ?
C4_32 C5_32 C21_32 121.1(6) . . ?
C6_32 C5_32 C21_32 121.8(5) . . ?
C1_32 C6_32 C5_32 123.3(5) . . ?
C1_32 C6_32 H6_32 118.4 . . ?
C5_32 C6_32 H6_32 118.4 . . ?
C12_32 C7_32 C8_32 115.5(6) . . ?
C12_32 C7_32 C1_32 123.9(5) . . ?
C8_32 C7_32 C1_32 120.7(5) . . ?
C9_32 C8_32 C7_32 122.6(6) . . ?
C9_32 C8_32 H8_32 118.7 . . ?
C7_32 C8_32 H8_32 118.7 . . ?
C8_32 C9_32 C10_32 120.5(6) . . ?
C8_32 C9_32 H9_32 119.8 . . ?
C10_32 C9_32 H9_32 119.8 . . ?
C11_32 C10_32 C9_32 119.3(6) . . ?
C11_32 C10_32 C13_32 121.1(5) . . ?
C9_32 C10_32 C13_32 119.6(5) . . ?
C10_32 C11_32 C12_32 120.4(6) . . ?
C10_32 C11_32 H11_32 119.8 . . ?
C12_32 C11_32 H11_32 119.8 . . ?
C7_32 C12_32 C11_32 121.7(5) . . ?
C7_32 C12_32 H12_32 119.2 . . ?
C11_32 C12_32 H12_32 119.2 . . ?
O1_32 C13_32 O2_32 124.0(6) . . ?
O1_32 C13_32 C10_32 119.6(5) . . ?
O2_32 C13_32 C10_32 116.3(5) . . ?
C15_32 C14_32 C3_32 121.7(5) . . ?
C15_32 C14_32 C19_32 118.3(5) . . ?
C3_32 C14_32 C19_32 119.8(5) . . ?
C14_32 C15_32 C16_32 122.5(5) . . ?
C14_32 C15_32 H15_32 118.7 . . ?
C16_32 C15_32 H15_32 118.7 . . ?
C15_32 C16_32 C17_32 118.4(5) . . ?
C15_32 C16_32 H16_32 120.8 . . ?
C17_32 C16_32 H16_32 120.8 . . ?
C18_32 C17_32 C16_32 121.5(5) . . ?
C18_32 C17_32 C20_32 118.1(6) . . ?
C16_32 C17_32 C20_32 120.5(6) . . ?
C17_32 C18_32 C19_32 120.0(5) . . ?
C17_32 C18_32 H18_32 120.0 . . ?
C19_32 C18_32 H18_32 120.0 . . ?
C18_32 C19_32 C14_32 119.3(6) . . ?
C18_32 C19_32 H19_32 120.3 . . ?
C14_32 C19_32 H19_32 120.3 . . ?
O4_32 C20_32 O3_32 124.3(6) . . ?
O4_32 C20_32 C17_32 119.6(7) . . ?
O3_32 C20_32 C17_32 116.1(6) . . ?
C26_32 C21_32 C22_32 118.9(5) . . ?
C26_32 C21_32 C5_32 121.1(5) . . ?
C22_32 C21_32 C5_32 120.0(6) . . ?
C21_32 C22_32 C23_32 118.3(6) . . ?
C21_32 C22_32 H22_32 120.9 . . ?
C23_32 C22_32 H22_32 120.9 . . ?
C24_32 C23_32 C22_32 121.9(6) . . ?
C24_32 C23_32 H23_32 119.0 . . ?
C22_32 C23_32 H23_32 119.0 . . ?
C23_32 C24_32 C25_32 120.5(6) . . ?
C23_32 C24_32 C27_32 120.3(6) . . ?
C25_32 C24_32 C27_32 119.1(6) . . ?
C26_32 C25_32 C24_32 118.3(6) . . ?
C26_32 C25_32 H25_32 120.8 . . ?
C24_32 C25_32 H25_32 120.8 . . ?
C21_32 C26_32 C25_32 121.9(6) . . ?
C21_32 C26_32 H26_32 119.1 . . ?
C25_32 C26_32 H26_32 119.1 . . ?
O5_32 C27_32 O6_32 123.5(5) . . ?
O5_32 C27_32 C24_32 118.6(6) . . ?
O6_32 C27_32 C24_32 117.5(6) . . ?
C13_32 O2_32 H2A_32 109.5 . . ?
C20_32 O3_32 H3A_32 109.5 . . ?
C27_32 O6_32 H6A_32 109.5 . . ?
C6_33 C1_33 C2_33 116.8(7) . . ?
C6_33 C1_33 C7_33 123.3(6) . . ?
C2_33 C1_33 C7_33 119.5(6) . . ?
C1_33 C2_33 C3_33 121.9(6) . . ?
C1_33 C2_33 H2_33 119.1 . . ?
C3_33 C2_33 H2_33 119.1 . . ?
C2_33 C3_33 C4_33 117.9(6) . . ?
C2_33 C3_33 C14_33 120.3(6) . . ?
C4_33 C3_33 C14_33 121.7(6) . . ?
C5_33 C4_33 C3_33 123.0(7) . . ?
C5_33 C4_33 H4_33 118.5 . . ?
C3_33 C4_33 H4_33 118.5 . . ?
C4_33 C5_33 C6_33 116.6(6) . . ?
C4_33 C5_33 C21_33 122.7(7) . . ?
C6_33 C5_33 C21_33 120.6(6) . . ?
C1_33 C6_33 C5_33 123.3(6) . . ?
C1_33 C6_33 H6_33 118.3 . . ?
C5_33 C6_33 H6_33 118.3 . . ?
C12_33 C7_33 C8_33 120.1(7) . . ?
C12_33 C7_33 C1_33 120.9(6) . . ?
C8_33 C7_33 C1_33 118.9(6) . . ?
C7_33 C8_33 C9_33 119.8(6) . . ?
C7_33 C8_33 H8_33 120.1 . . ?
C9_33 C8_33 H8_33 120.1 . . ?
C10_33 C9_33 C8_33 120.2(6) . . ?
C10_33 C9_33 H9_33 119.9 . . ?
C8_33 C9_33 H9_33 119.9 . . ?
C9_33 C10_33 C13_33 122.0(6) . . ?
C9_33 C10_33 C11_33 119.0(6) . . ?
C13_33 C10_33 C11_33 119.0(6) . . ?
C12_33 C11_33 C10_33 119.6(6) . . ?
C12_33 C11_33 H11_33 120.2 . . ?
C10_33 C11_33 H11_33 120.2 . . ?
C11_33 C12_33 C7_33 121.2(6) . . ?
C11_33 C12_33 H12_33 119.4 . . ?
C7_33 C12_33 H12_33 119.4 . . ?
O2_33 C13_33 O1_33 121.6(7) . . ?
O2_33 C13_33 C10_33 122.2(6) . . ?
O1_33 C13_33 C10_33 116.0(6) . . ?
C19_33 C14_33 C15_33 116.6(6) . . ?
C19_33 C14_33 C3_33 119.9(6) . . ?
C15_33 C14_33 C3_33 123.5(6) . . ?
C16_33 C15_33 C14_33 120.3(6) . . ?
C16_33 C15_33 H15_33 119.8 . . ?
C14_33 C15_33 H15_33 119.8 . . ?
C17_33 C16_33 C15_33 120.1(6) . . ?
C17_33 C16_33 H16_33 120.0 . . ?
C15_33 C16_33 H16_33 120.0 . . ?
C18_33 C17_33 C16_33 121.3(6) . . ?
C18_33 C17_33 C20_33 118.4(6) . . ?
C16_33 C17_33 C20_33 120.2(7) . . ?
C17_33 C18_33 C19_33 117.8(6) . . ?
C17_33 C18_33 H18_33 121.1 . . ?
C19_33 C18_33 H18_33 121.1 . . ?
C14_33 C19_33 C18_33 124.0(7) . . ?
C14_33 C19_33 H19_33 118.0 . . ?
C18_33 C19_33 H19_33 118.0 . . ?
O4_33 C20_33 O3_33 123.3(6) . . ?
O4_33 C20_33 C17_33 118.8(7) . . ?
O3_33 C20_33 C17_33 117.6(6) . . ?
C22_33 C21_33 C26_33 116.5(6) . . ?
C22_33 C21_33 C5_33 122.7(6) . . ?
C26_33 C21_33 C5_33 120.6(6) . . ?
C21_33 C22_33 C23_33 122.9(7) . . ?
C21_33 C22_33 H22_33 118.6 . . ?
C23_33 C22_33 H22_33 118.6 . . ?
C24_33 C23_33 C22_33 119.4(6) . . ?
C24_33 C23_33 H23_33 120.3 . . ?
C22_33 C23_33 H23_33 120.3 . . ?
C23_33 C24_33 C25_33 117.8(6) . . ?
C23_33 C24_33 C27_33 119.8(6) . . ?
C25_33 C24_33 C27_33 122.4(7) . . ?
C24_33 C25_33 C26_33 124.6(7) . . ?
C24_33 C25_33 H25_33 117.7 . . ?
C26_33 C25_33 H25_33 117.7 . . ?
C25_33 C26_33 C21_33 118.5(6) . . ?
C25_33 C26_33 H26_33 120.8 . . ?
C21_33 C26_33 H26_33 120.8 . . ?
O5_33 C27_33 O6_33 122.1(6) . . ?
O5_33 C27_33 C24_33 121.2(7) . . ?
O6_33 C27_33 C24_33 116.6(6) . . ?
C13_33 O2_33 H2A_33 109.5 . . ?
C20_33 O3_33 H3A_33 109.5 . . ?
C27_33 O6_33 H6A_33 109.5 . . ?
C2_34 C1_34 C6_34 115.1(6) . . ?
C2_34 C1_34 C7_34 122.4(5) . . ?
C6_34 C1_34 C7_34 122.5(5) . . ?
C3_34 C2_34 C1_34 122.2(6) . . ?
C3_34 C2_34 H2_34 118.9 . . ?
C1_34 C2_34 H2_34 118.9 . . ?
C2_34 C3_34 C4_34 120.8(6) . . ?
C2_34 C3_34 C14_34 118.4(5) . . ?
C4_34 C3_34 C14_34 120.7(6) . . ?
C3_34 C4_34 C5_34 120.5(6) . . ?
C3_34 C4_34 H4_34 119.7 . . ?
C5_34 C4_34 H4_34 119.7 . . ?
C6_34 C5_34 C4_34 117.1(6) . . ?
C6_34 C5_34 C21_34 121.3(5) . . ?
C4_34 C5_34 C21_34 121.6(6) . . ?
C5_34 C6_34 C1_34 124.2(5) . . ?
C5_34 C6_34 H6_34 117.9 . . ?
C1_34 C6_34 H6_34 117.9 . . ?
C8_34 C7_34 C12_34 115.8(6) . . ?
C8_34 C7_34 C1_34 121.3(6) . . ?
C12_34 C7_34 C1_34 122.9(5) . . ?
C7_34 C8_34 C9_34 123.7(6) . . ?
C7_34 C8_34 H8_34 118.1 . . ?
C9_34 C8_34 H8_34 118.1 . . ?
C10_34 C9_34 C8_34 118.0(6) . . ?
C10_34 C9_34 H9_34 121.0 . . ?
C8_34 C9_34 H9_34 121.0 . . ?
C11_34 C10_34 C9_34 121.3(6) . . ?
C11_34 C10_34 C13_34 119.3(6) . . ?
C9_34 C10_34 C13_34 119.3(6) . . ?
C10_34 C11_34 C12_34 118.3(6) . . ?
C10_34 C11_34 H11_34 120.9 . . ?
C12_34 C11_34 H11_34 120.9 . . ?
C11_34 C12_34 C7_34 122.7(6) . . ?
C11_34 C12_34 H12_34 118.6 . . ?
C7_34 C12_34 H12_34 118.6 . . ?
O2_34 C13_34 O1_34 123.8(6) . . ?
O2_34 C13_34 C10_34 118.8(6) . . ?
O1_34 C13_34 C10_34 117.4(6) . . ?
C19_34 C14_34 C15_34 121.2(6) . . ?
C19_34 C14_34 C3_34 121.2(6) . . ?
C15_34 C14_34 C3_34 117.6(5) . . ?
C14_34 C15_34 C16_34 119.5(6) . . ?
C14_34 C15_34 H15_34 120.2 . . ?
C16_34 C15_34 H15_34 120.2 . . ?
C17_34 C16_34 C15_34 118.6(7) . . ?
C17_34 C16_34 H16_34 120.7 . . ?
C15_34 C16_34 H16_34 120.7 . . ?
C16_34 C17_34 C18_34 122.1(6) . . ?
C16_34 C17_34 C20_34 119.3(7) . . ?
C18_34 C17_34 C20_34 118.6(6) . . ?
C17_34 C18_34 C19_34 120.0(6) . . ?
C17_34 C18_34 H18_34 120.0 . . ?
C19_34 C18_34 H18_34 120.0 . . ?
C14_34 C19_34 C18_34 118.5(6) . . ?
C14_34 C19_34 H19_34 120.7 . . ?
C18_34 C19_34 H19_34 120.7 . . ?
O3_34 C20_34 O4_34 122.9(6) . . ?
O3_34 C20_34 C17_34 118.7(6) . . ?
O4_34 C20_34 C17_34 118.2(6) . . ?
C26_34 C21_34 C22_34 117.2(5) . . ?
C26_34 C21_34 C5_34 122.5(5) . . ?
C22_34 C21_34 C5_34 120.3(6) . . ?
C23_34 C22_34 C21_34 121.3(6) . . ?
C23_34 C22_34 H22_34 119.4 . . ?
C21_34 C22_34 H22_34 119.4 . . ?
C22_34 C23_34 C24_34 121.1(6) . . ?
C22_34 C23_34 H23_34 119.4 . . ?
C24_34 C23_34 H23_34 119.4 . . ?
C23_34 C24_34 C25_34 120.0(6) . . ?
C23_34 C24_34 C27_34 119.8(6) . . ?
C25_34 C24_34 C27_34 120.2(6) . . ?
C26_34 C25_34 C24_34 116.7(6) . . ?
C26_34 C25_34 H25_34 121.7 . . ?
C24_34 C25_34 H25_34 121.7 . . ?
C21_34 C26_34 C25_34 123.6(6) . . ?
C21_34 C26_34 H26_34 118.2 . . ?
C25_34 C26_34 H26_34 118.2 . . ?
O5_34 C27_34 O6_34 124.1(6) . . ?
O5_34 C27_34 C24_34 119.0(7) . . ?
O6_34 C27_34 C24_34 116.8(6) . . ?
C13_34 O2_34 H2A_34 109.5 . . ?
C20_34 O3_34 H3A_34 109.5 . . ?
C27_34 O6_34 H6A_34 109.5 . . ?
C6_35 C1_35 C2_35 115.3(5) . . ?
C6_35 C1_35 C7_35 121.8(5) . . ?
C2_35 C1_35 C7_35 122.8(5) . . ?
C3_35 C2_35 C1_35 124.7(5) . . ?
C3_35 C2_35 H2_35 117.6 . . ?
C1_35 C2_35 H2_35 117.6 . . ?
C2_35 C3_35 C4_35 116.8(5) . . ?
C2_35 C3_35 C14_35 121.4(5) . . ?
C4_35 C3_35 C14_35 121.8(5) . . ?
C3_35 C4_35 C5_35 121.0(6) . . ?
C3_35 C4_35 H4_35 119.5 . . ?
C5_35 C4_35 H4_35 119.5 . . ?
C6_35 C5_35 C4_35 119.8(5) . . ?
C6_35 C5_35 C21_35 121.6(5) . . ?
C4_35 C5_35 C21_35 118.5(5) . . ?
C5_35 C6_35 C1_35 122.4(5) . . ?
C5_35 C6_35 H6_35 118.8 . . ?
C1_35 C6_35 H6_35 118.8 . . ?
C8_35 C7_35 C12_35 116.4(6) . . ?
C8_35 C7_35 C1_35 122.4(5) . . ?
C12_35 C7_35 C1_35 121.2(5) . . ?
C9_35 C8_35 C7_35 121.9(5) . . ?
C9_35 C8_35 H8_35 119.0 . . ?
C7_35 C8_35 H8_35 119.0 . . ?
C10_35 C9_35 C8_35 120.5(6) . . ?
C10_35 C9_35 H9_35 119.8 . . ?
C8_35 C9_35 H9_35 119.8 . . ?
C9_35 C10_35 C11_35 120.3(6) . . ?
C9_35 C10_35 C13_35 121.6(5) . . ?
C11_35 C10_35 C13_35 118.1(5) . . ?
C10_35 C11_35 C12_35 119.2(6) . . ?
C10_35 C11_35 H11_35 120.4 . . ?
C12_35 C11_35 H11_35 120.4 . . ?
C11_35 C12_35 C7_35 121.7(5) . . ?
C11_35 C12_35 H12_35 119.1 . . ?
C7_35 C12_35 H12_35 119.1 . . ?
O2_35 C13_35 O1_35 124.0(6) . . ?
O2_35 C13_35 C10_35 119.6(5) . . ?
O1_35 C13_35 C10_35 116.4(5) . . ?
C15_35 C14_35 C19_35 119.2(6) . . ?
C15_35 C14_35 C3_35 121.1(5) . . ?
C19_35 C14_35 C3_35 119.7(6) . . ?
C14_35 C15_35 C16_35 123.2(6) . . ?
C14_35 C15_35 H15_35 118.4 . . ?
C16_35 C15_35 H15_35 118.4 . . ?
C15_35 C16_35 C17_35 117.5(6) . . ?
C15_35 C16_35 H16_35 121.3 . . ?
C17_35 C16_35 H16_35 121.3 . . ?
C18_35 C17_35 C16_35 120.0(6) . . ?
C18_35 C17_35 C20_35 121.1(6) . . ?
C16_35 C17_35 C20_35 118.9(6) . . ?
C17_35 C18_35 C19_35 120.2(6) . . ?
C17_35 C18_35 H18_35 119.9 . . ?
C19_35 C18_35 H18_35 119.9 . . ?
C14_35 C19_35 C18_35 119.9(6) . . ?
C14_35 C19_35 H19_35 120.1 . . ?
C18_35 C19_35 H19_35 120.1 . . ?
O4_35 C20_35 O3_35 123.7(6) . . ?
O4_35 C20_35 C17_35 117.9(7) . . ?
O3_35 C20_35 C17_35 118.4(6) . . ?
C22_35 C21_35 C26_35 119.8(5) . . ?
C22_35 C21_35 C5_35 118.8(5) . . ?
C26_35 C21_35 C5_35 121.4(5) . . ?
C21_35 C22_35 C23_35 119.2(6) . . ?
C21_35 C22_35 H22_35 120.4 . . ?
C23_35 C22_35 H22_35 120.4 . . ?
C24_35 C23_35 C22_35 120.6(6) . . ?
C24_35 C23_35 H23_35 119.7 . . ?
C22_35 C23_35 H23_35 119.7 . . ?
C23_35 C24_35 C25_35 118.9(5) . . ?
C23_35 C24_35 C27_35 119.5(6) . . ?
C25_35 C24_35 C27_35 121.6(6) . . ?
C26_35 C25_35 C24_35 121.3(6) . . ?
C26_35 C25_35 H25_35 119.3 . . ?
C24_35 C25_35 H25_35 119.3 . . ?
C25_35 C26_35 C21_35 120.1(6) . . ?
C25_35 C26_35 H26_35 119.9 . . ?
C21_35 C26_35 H26_35 119.9 . . ?
O6_35 C27_35 O5_35 124.7(6) . . ?
O6_35 C27_35 C24_35 117.6(6) . . ?
O5_35 C27_35 C24_35 117.6(7) . . ?
C13_35 O2_35 H2A_35 109.5 . . ?
C20_35 O3_35 H3A_35 109.5 . . ?
C27_35 O6_35 H6A_35 109.5 . . ?
C2_36 C1_36 C6_36 115.2(6) . . ?
C2_36 C1_36 C7_36 124.4(5) . . ?
C6_36 C1_36 C7_36 120.2(5) . . ?
C3_36 C2_36 C1_36 123.5(5) . . ?
C3_36 C2_36 H2_36 118.2 . . ?
C1_36 C2_36 H2_36 118.2 . . ?
C2_36 C3_36 C4_36 119.0(5) . . ?
C2_36 C3_36 C14_36 119.9(5) . . ?
C4_36 C3_36 C14_36 121.1(6) . . ?
C5_36 C4_36 C3_36 120.2(6) . . ?
C5_36 C4_36 H4_36 119.9 . . ?
C3_36 C4_36 H4_36 119.9 . . ?
C4_36 C5_36 C6_36 118.8(5) . . ?
C4_36 C5_36 C21_36 121.2(6) . . ?
C6_36 C5_36 C21_36 120.0(5) . . ?
C5_36 C6_36 C1_36 123.0(5) . . ?
C5_36 C6_36 H6_36 118.5 . . ?
C1_36 C6_36 H6_36 118.5 . . ?
C12_36 C7_36 C8_36 117.9(6) . . ?
C12_36 C7_36 C1_36 123.6(5) . . ?
C8_36 C7_36 C1_36 118.4(5) . . ?
C9_36 C8_36 C7_36 120.6(5) . . ?
C9_36 C8_36 H8_36 119.7 . . ?
C7_36 C8_36 H8_36 119.7 . . ?
C8_36 C9_36 C10_36 120.3(5) . . ?
C8_36 C9_36 H9_36 119.9 . . ?
C10_36 C9_36 H9_36 119.9 . . ?
C11_36 C10_36 C9_36 118.3(6) . . ?
C11_36 C10_36 C13_36 121.7(5) . . ?
C9_36 C10_36 C13_36 120.0(5) . . ?
C10_36 C11_36 C12_36 120.9(6) . . ?
C10_36 C11_36 H11_36 119.6 . . ?
C12_36 C11_36 H11_36 119.6 . . ?
C7_36 C12_36 C11_36 121.8(6) . . ?
C7_36 C12_36 H12_36 119.1 . . ?
C11_36 C12_36 H12_36 119.1 . . ?
O1_36 C13_36 O2_36 125.1(6) . . ?
O1_36 C13_36 C10_36 119.7(5) . . ?
O2_36 C13_36 C10_36 115.2(5) . . ?
C19_36 C14_36 C15_36 117.9(5) . . ?
C19_36 C14_36 C3_36 123.4(6) . . ?
C15_36 C14_36 C3_36 118.7(5) . . ?
C16_36 C15_36 C14_36 119.0(6) . . ?
C16_36 C15_36 H15_36 120.5 . . ?
C14_36 C15_36 H15_36 120.5 . . ?
C15_36 C16_36 C17_36 120.6(6) . . ?
C15_36 C16_36 H16_36 119.7 . . ?
C17_36 C16_36 H16_36 119.7 . . ?
C18_36 C17_36 C16_36 119.8(6) . . ?
C18_36 C17_36 C20_36 122.3(6) . . ?
C16_36 C17_36 C20_36 117.8(6) . . ?
C19_36 C18_36 C17_36 119.3(6) . . ?
C19_36 C18_36 H18_36 120.4 . . ?
C17_36 C18_36 H18_36 120.4 . . ?
C18_36 C19_36 C14_36 123.4(6) . . ?
C18_36 C19_36 H19_36 118.3 . . ?
C14_36 C19_36 H19_36 118.3 . . ?
O3_36 C20_36 O4_36 124.9(6) . . ?
O3_36 C20_36 C17_36 119.5(6) . . ?
O4_36 C20_36 C17_36 115.5(6) . . ?
C26_36 C21_36 C22_36 120.4(6) . . ?
C26_36 C21_36 C5_36 121.3(5) . . ?
C22_36 C21_36 C5_36 118.3(6) . . ?
C23_36 C22_36 C21_36 118.8(6) . . ?
C23_36 C22_36 H22_36 120.6 . . ?
C21_36 C22_36 H22_36 120.6 . . ?
C24_36 C23_36 C22_36 120.0(6) . . ?
C24_36 C23_36 H23_36 120.0 . . ?
C22_36 C23_36 H23_36 120.0 . . ?
C25_36 C24_36 C23_36 119.5(6) . . ?
C25_36 C24_36 C27_36 120.5(7) . . ?
C23_36 C24_36 C27_36 119.9(6) . . ?
C26_36 C25_36 C24_36 121.9(6) . . ?
C26_36 C25_36 H25_36 119.1 . . ?
C24_36 C25_36 H25_36 119.1 . . ?
C25_36 C26_36 C21_36 119.4(6) . . ?
C25_36 C26_36 H26_36 120.3 . . ?
C21_36 C26_36 H26_36 120.3 . . ?
O5_36 C27_36 O6_36 123.5(6) . . ?
O5_36 C27_36 C24_36 120.1(7) . . ?
O6_36 C27_36 C24_36 116.3(6) . . ?
C13_36 O2_36 H2A_36 109.5 . . ?
C20_36 O3_36 H3A_36 109.5 . . ?
C27_36 O6_36 H6A_36 109.5 . . ?
C2_37 C1_37 C6_37 118.9(6) . . ?
C2_37 C1_37 C7_37 122.0(5) . . ?
C6_37 C1_37 C7_37 119.0(5) . . ?
C3_37 C2_37 C1_37 121.1(5) . . ?
C3_37 C2_37 H2_37 119.5 . . ?
C1_37 C2_37 H2_37 119.5 . . ?
C2_37 C3_37 C4_37 121.6(5) . . ?
C2_37 C3_37 C14_37 121.2(5) . . ?
C4_37 C3_37 C14_37 117.1(5) . . ?
C3_37 C4_37 C5_37 116.5(6) . . ?
C3_37 C4_37 H4_37 121.8 . . ?
C5_37 C4_37 H4_37 121.8 . . ?
C6_37 C5_37 C4_37 121.4(5) . . ?
C6_37 C5_37 C21_37 121.1(5) . . ?
C4_37 C5_37 C21_37 117.5(6) . . ?
C5_37 C6_37 C1_37 120.4(5) . . ?
C5_37 C6_37 H6_37 119.8 . . ?
C1_37 C6_37 H6_37 119.8 . . ?
C12_37 C7_37 C8_37 118.9(6) . . ?
C12_37 C7_37 C1_37 121.4(6) . . ?
C8_37 C7_37 C1_37 119.5(5) . . ?
C9_37 C8_37 C7_37 119.3(6) . . ?
C9_37 C8_37 H8_37 120.3 . . ?
C7_37 C8_37 H8_37 120.3 . . ?
C8_37 C9_37 C10_37 121.2(6) . . ?
C8_37 C9_37 H9_37 119.4 . . ?
C10_37 C9_37 H9_37 119.4 . . ?
C11_37 C10_37 C9_37 119.7(6) . . ?
C11_37 C10_37 C13_37 119.0(6) . . ?
C9_37 C10_37 C13_37 121.2(6) . . ?
C12_37 C11_37 C10_37 118.8(6) . . ?
C12_37 C11_37 H11_37 120.6 . . ?
C10_37 C11_37 H11_37 120.6 . . ?
C7_37 C12_37 C11_37 122.0(6) . . ?
C7_37 C12_37 H12_37 119.0 . . ?
C11_37 C12_37 H12_37 119.0 . . ?
O1_37 C13_37 O2_37 123.9(6) . . ?
O1_37 C13_37 C10_37 119.6(6) . . ?
O2_37 C13_37 C10_37 116.5(6) . . ?
C15_37 C14_37 C19_37 118.3(5) . . ?
C15_37 C14_37 C3_37 122.0(5) . . ?
C19_37 C14_37 C3_37 119.6(6) . . ?
C16_37 C15_37 C14_37 121.0(6) . . ?
C16_37 C15_37 H15_37 119.5 . . ?
C14_37 C15_37 H15_37 119.5 . . ?
C15_37 C16_37 C17_37 121.4(6) . . ?
C15_37 C16_37 H16_37 119.3 . . ?
C17_37 C16_37 H16_37 119.3 . . ?
C16_37 C17_37 C18_37 118.4(6) . . ?
C16_37 C17_37 C20_37 121.0(6) . . ?
C18_37 C17_37 C20_37 120.6(6) . . ?
C19_37 C18_37 C17_37 121.7(6) . . ?
C19_37 C18_37 H18_37 119.2 . . ?
C17_37 C18_37 H18_37 119.2 . . ?
C18_37 C19_37 C14_37 119.1(6) . . ?
C18_37 C19_37 H19_37 120.4 . . ?
C14_37 C19_37 H19_37 120.4 . . ?
O3_37 C20_37 O4_37 123.9(6) . . ?
O3_37 C20_37 C17_37 118.3(6) . . ?
O4_37 C20_37 C17_37 117.8(6) . . ?
C22_37 C21_37 C26_37 119.3(6) . . ?
C22_37 C21_37 C5_37 119.7(6) . . ?
C26_37 C21_37 C5_37 121.0(5) . . ?
C21_37 C22_37 C23_37 120.2(6) . . ?
C21_37 C22_37 H22_37 119.9 . . ?
C23_37 C22_37 H22_37 119.9 . . ?
C24_37 C23_37 C22_37 119.3(6) . . ?
C24_37 C23_37 H23_37 120.3 . . ?
C22_37 C23_37 H23_37 120.3 . . ?
C25_37 C24_37 C23_37 121.3(6) . . ?
C25_37 C24_37 C27_37 120.0(6) . . ?
C23_37 C24_37 C27_37 118.7(6) . . ?
C24_37 C25_37 C26_37 118.1(6) . . ?
C24_37 C25_37 H25_37 121.0 . . ?
C26_37 C25_37 H25_37 121.0 . . ?
C25_37 C26_37 C21_37 121.7(6) . . ?
C25_37 C26_37 H26_37 119.1 . . ?
C21_37 C26_37 H26_37 119.1 . . ?
O5_37 C27_37 O6_37 124.3(6) . . ?
O5_37 C27_37 C24_37 120.6(6) . . ?
O6_37 C27_37 C24_37 115.1(6) . . ?
C13_37 O2_37 H2A_37 109.5 . . ?
C20_37 O3_37 H3A_37 109.5 . . ?
C27_37 O6_37 H6A_37 109.5 . . ?
C2_38 C1_38 C6_38 117.2(6) . . ?
C2_38 C1_38 C7_38 121.3(5) . . ?
C6_38 C1_38 C7_38 121.3(5) . . ?
C1_38 C2_38 C3_38 121.5(5) . . ?
C1_38 C2_38 H2_38 119.3 . . ?
C3_38 C2_38 H2_38 119.3 . . ?
C4_38 C3_38 C2_38 117.5(5) . . ?
C4_38 C3_38 C14_38 122.2(6) . . ?
C2_38 C3_38 C14_38 120.3(5) . . ?
C3_38 C4_38 C5_38 123.4(6) . . ?
C3_38 C4_38 H4_38 118.3 . . ?
C5_38 C4_38 H4_38 118.3 . . ?
C6_38 C5_38 C4_38 118.0(5) . . ?
C6_38 C5_38 C21_38 122.6(5) . . ?
C4_38 C5_38 C21_38 119.4(5) . . ?
C5_38 C6_38 C1_38 122.2(5) . . ?
C5_38 C6_38 H6_38 118.9 . . ?
C1_38 C6_38 H6_38 118.9 . . ?
C8_38 C7_38 C12_38 116.0(6) . . ?
C8_38 C7_38 C1_38 121.1(5) . . ?
C12_38 C7_38 C1_38 122.9(5) . . ?
C9_38 C8_38 C7_38 120.5(6) . . ?
C9_38 C8_38 H8_38 119.7 . . ?
C7_38 C8_38 H8_38 119.7 . . ?
C10_38 C9_38 C8_38 120.5(6) . . ?
C10_38 C9_38 H9_38 119.7 . . ?
C8_38 C9_38 H9_38 119.7 . . ?
C9_38 C10_38 C11_38 120.9(6) . . ?
C9_38 C10_38 C13_38 118.7(5) . . ?
C11_38 C10_38 C13_38 120.2(5) . . ?
C12_38 C11_38 C10_38 118.5(6) . . ?
C12_38 C11_38 H11_38 120.8 . . ?
C10_38 C11_38 H11_38 120.8 . . ?
C11_38 C12_38 C7_38 123.5(6) . . ?
C11_38 C12_38 H12_38 118.2 . . ?
C7_38 C12_38 H12_38 118.2 . . ?
O1_38 C13_38 O2_38 125.4(6) . . ?
O1_38 C13_38 C10_38 120.1(5) . . ?
O2_38 C13_38 C10_38 114.5(5) . . ?
C19_38 C14_38 C15_38 117.6(5) . . ?
C19_38 C14_38 C3_38 121.9(6) . . ?
C15_38 C14_38 C3_38 120.6(5) . . ?
C16_38 C15_38 C14_38 121.1(6) . . ?
C16_38 C15_38 H15_38 119.4 . . ?
C14_38 C15_38 H15_38 119.4 . . ?
C17_38 C16_38 C15_38 120.4(7) . . ?
C17_38 C16_38 H16_38 119.8 . . ?
C15_38 C16_38 H16_38 119.8 . . ?
C16_38 C17_38 C18_38 120.3(6) . . ?
C16_38 C17_38 C20_38 119.8(7) . . ?
C18_38 C17_38 C20_38 119.5(6) . . ?
C19_38 C18_38 C17_38 117.3(6) . . ?
C19_38 C18_38 H18_38 121.3 . . ?
C17_38 C18_38 H18_38 121.3 . . ?
C14_38 C19_38 C18_38 122.8(6) . . ?
C14_38 C19_38 H19_38 118.6 . . ?
C18_38 C19_38 H19_38 118.6 . . ?
O3_38 C20_38 O4_38 124.8(6) . . ?
O3_38 C20_38 C17_38 119.4(6) . . ?
O4_38 C20_38 C17_38 115.5(7) . . ?
C26_38 C21_38 C22_38 118.3(6) . . ?
C26_38 C21_38 C5_38 123.5(5) . . ?
C22_38 C21_38 C5_38 118.2(6) . . ?
C23_38 C22_38 C21_38 120.2(6) . . ?
C23_38 C22_38 H22_38 119.9 . . ?
C21_38 C22_38 H22_38 119.9 . . ?
C22_38 C23_38 C24_38 121.0(6) . . ?
C22_38 C23_38 H23_38 119.5 . . ?
C24_38 C23_38 H23_38 119.5 . . ?
C25_38 C24_38 C27_38 122.2(6) . . ?
C25_38 C24_38 C23_38 117.4(6) . . ?
C27_38 C24_38 C23_38 120.4(6) . . ?
C24_38 C25_38 C26_38 120.8(7) . . ?
C24_38 C25_38 H25_38 119.6 . . ?
C26_38 C25_38 H25_38 119.6 . . ?
C25_38 C26_38 C21_38 122.1(6) . . ?
C25_38 C26_38 H26_38 118.9 . . ?
C21_38 C26_38 H26_38 118.9 . . ?
O5_38 C27_38 O6_38 120.6(6) . . ?
O5_38 C27_38 C24_38 123.8(7) . . ?
O6_38 C27_38 C24_38 115.4(6) . . ?
C13_38 O2_38 H2A_38 109.5 . . ?
C20_38 O3_38 H3A_38 109.5 . . ?
C27_38 O6_38 H6A_38 109.5 . . ?
C6_39 C1_39 C2_39 117.5(6) . . ?
C6_39 C1_39 C7_39 121.2(5) . . ?
C2_39 C1_39 C7_39 121.3(5) . . ?
C3_39 C2_39 C1_39 120.1(5) . . ?
C3_39 C2_39 H2_39 119.9 . . ?
C1_39 C2_39 H2_39 119.9 . . ?
C4_39 C3_39 C2_39 120.9(5) . . ?
C4_39 C3_39 C14_39 119.4(5) . . ?
C2_39 C3_39 C14_39 119.4(5) . . ?
C3_39 C4_39 C5_39 120.6(6) . . ?
C3_39 C4_39 H4_39 119.7 . . ?
C5_39 C4_39 H4_39 119.7 . . ?
C4_39 C5_39 C6_39 118.1(5) . . ?
C4_39 C5_39 C21_39 121.1(5) . . ?
C6_39 C5_39 C21_39 120.4(5) . . ?
C1_39 C6_39 C5_39 122.4(5) . . ?
C1_39 C6_39 H6_39 118.8 . . ?
C5_39 C6_39 H6_39 118.8 . . ?
C12_39 C7_39 C8_39 118.0(5) . . ?
C12_39 C7_39 C1_39 122.8(5) . . ?
C8_39 C7_39 C1_39 119.2(5) . . ?
C7_39 C8_39 C9_39 118.1(5) . . ?
C7_39 C8_39 H8_39 120.9 . . ?
C9_39 C8_39 H8_39 120.9 . . ?
C10_39 C9_39 C8_39 121.4(5) . . ?
C10_39 C9_39 H9_39 119.3 . . ?
C8_39 C9_39 H9_39 119.3 . . ?
C11_39 C10_39 C9_39 120.7(6) . . ?
C11_39 C10_39 C13_39 120.8(5) . . ?
C9_39 C10_39 C13_39 118.4(5) . . ?
C10_39 C11_39 C12_39 117.9(5) . . ?
C10_39 C11_39 H11_39 121.0 . . ?
C12_39 C11_39 H11_39 121.0 . . ?
C11_39 C12_39 C7_39 123.8(5) . . ?
C11_39 C12_39 H12_39 118.1 . . ?
C7_39 C12_39 H12_39 118.1 . . ?
O1_39 C13_39 O2_39 124.7(6) . . ?
O1_39 C13_39 C10_39 119.0(5) . . ?
O2_39 C13_39 C10_39 116.3(5) . . ?
C15_39 C14_39 C19_39 118.7(5) . . ?
C15_39 C14_39 C3_39 119.9(5) . . ?
C19_39 C14_39 C3_39 121.3(5) . . ?
C14_39 C15_39 C16_39 123.0(6) . . ?
C14_39 C15_39 H15_39 118.5 . . ?
C16_39 C15_39 H15_39 118.5 . . ?
C15_39 C16_39 C17_39 118.5(6) . . ?
C15_39 C16_39 H16_39 120.7 . . ?
C17_39 C16_39 H16_39 120.7 . . ?
C18_39 C17_39 C16_39 120.3(5) . . ?
C18_39 C17_39 C20_39 120.2(5) . . ?
C16_39 C17_39 C20_39 119.5(6) . . ?
C17_39 C18_39 C19_39 119.6(6) . . ?
C17_39 C18_39 H18_39 120.2 . . ?
C19_39 C18_39 H18_39 120.2 . . ?
C14_39 C19_39 C18_39 119.7(6) . . ?
C14_39 C19_39 H19_39 120.1 . . ?
C18_39 C19_39 H19_39 120.1 . . ?
O3_39 C20_39 O4_39 122.8(5) . . ?
O3_39 C20_39 C17_39 118.5(6) . . ?
O4_39 C20_39 C17_39 118.7(6) . . ?
C26_39 C21_39 C22_39 118.7(5) . . ?
C26_39 C21_39 C5_39 121.0(5) . . ?
C22_39 C21_39 C5_39 120.2(6) . . ?
C21_39 C22_39 C23_39 122.1(6) . . ?
C21_39 C22_39 H22_39 119.0 . . ?
C23_39 C22_39 H22_39 119.0 . . ?
C24_39 C23_39 C22_39 118.1(6) . . ?
C24_39 C23_39 H23_39 121.0 . . ?
C22_39 C23_39 H23_39 121.0 . . ?
C23_39 C24_39 C25_39 121.0(6) . . ?
C23_39 C24_39 C27_39 119.4(6) . . ?
C25_39 C24_39 C27_39 119.4(6) . . ?
C26_39 C25_39 C24_39 117.7(6) . . ?
C26_39 C25_39 H25_39 121.1 . . ?
C24_39 C25_39 H25_39 121.1 . . ?
C21_39 C26_39 C25_39 122.2(6) . . ?
C21_39 C26_39 H26_39 118.9 . . ?
C25_39 C26_39 H26_39 118.9 . . ?
O5_39 C27_39 O6_39 124.5(6) . . ?
O5_39 C27_39 C24_39 118.7(6) . . ?
O6_39 C27_39 C24_39 116.7(6) . . ?
C13_39 O2_39 H2A_39 109.5 . . ?
C20_39 O3_39 H3A_39 109.5 . . ?
C27_39 O6_39 H6A_39 109.5 . . ?
C6_40 C1_40 C2_40 116.6(6) . . ?
C6_40 C1_40 C7_40 123.2(5) . . ?
C2_40 C1_40 C7_40 120.2(5) . . ?
C3_40 C2_40 C1_40 120.7(5) . . ?
C3_40 C2_40 H2_40 119.6 . . ?
C1_40 C2_40 H2_40 119.6 . . ?
C4_40 C3_40 C2_40 118.8(5) . . ?
C4_40 C3_40 C14_40 121.8(6) . . ?
C2_40 C3_40 C14_40 119.4(5) . . ?
C3_40 C4_40 C5_40 122.9(6) . . ?
C3_40 C4_40 H4_40 118.6 . . ?
C5_40 C4_40 H4_40 118.6 . . ?
C4_40 C5_40 C6_40 118.1(5) . . ?
C4_40 C5_40 C21_40 121.4(6) . . ?
C6_40 C5_40 C21_40 120.5(5) . . ?
C5_40 C6_40 C1_40 122.8(5) . . ?
C5_40 C6_40 H6_40 118.6 . . ?
C1_40 C6_40 H6_40 118.6 . . ?
C8_40 C7_40 C12_40 116.6(6) . . ?
C8_40 C7_40 C1_40 122.8(5) . . ?
C12_40 C7_40 C1_40 120.7(5) . . ?
C9_40 C8_40 C7_40 121.9(6) . . ?
C9_40 C8_40 H8_40 119.1 . . ?
C7_40 C8_40 H8_40 119.1 . . ?
C8_40 C9_40 C10_40 121.5(6) . . ?
C8_40 C9_40 H9_40 119.2 . . ?
C10_40 C9_40 H9_40 119.2 . . ?
C11_40 C10_40 C9_40 118.0(6) . . ?
C11_40 C10_40 C13_40 121.7(6) . . ?
C9_40 C10_40 C13_40 120.2(6) . . ?
C10_40 C11_40 C12_40 123.0(6) . . ?
C10_40 C11_40 H11_40 118.5 . . ?
C12_40 C11_40 H11_40 118.5 . . ?
C11_40 C12_40 C7_40 118.9(6) . . ?
C11_40 C12_40 H12_40 120.6 . . ?
C7_40 C12_40 H12_40 120.6 . . ?
O1_40 C13_40 O2_40 124.8(7) . . ?
O1_40 C13_40 C10_40 118.5(6) . . ?
O2_40 C13_40 C10_40 116.7(6) . . ?
C15_40 C14_40 C19_40 118.3(5) . . ?
C15_40 C14_40 C3_40 120.5(5) . . ?
C19_40 C14_40 C3_40 121.0(6) . . ?
C16_40 C15_40 C14_40 123.1(6) . . ?
C16_40 C15_40 H15_40 118.5 . . ?
C14_40 C15_40 H15_40 118.5 . . ?
C15_40 C16_40 C17_40 117.5(6) . . ?
C15_40 C16_40 H16_40 121.2 . . ?
C17_40 C16_40 H16_40 121.2 . . ?
C16_40 C17_40 C18_40 120.1(5) . . ?
C16_40 C17_40 C20_40 121.9(6) . . ?
C18_40 C17_40 C20_40 118.0(5) . . ?
C19_40 C18_40 C17_40 120.2(5) . . ?
C19_40 C18_40 H18_40 119.9 . . ?
C17_40 C18_40 H18_40 119.9 . . ?
C18_40 C19_40 C14_40 120.5(6) . . ?
C18_40 C19_40 H19_40 119.7 . . ?
C14_40 C19_40 H19_40 119.7 . . ?
O4_40 C20_40 O3_40 123.3(6) . . ?
O4_40 C20_40 C17_40 121.2(6) . . ?
O3_40 C20_40 C17_40 115.4(6) . . ?
C22_40 C21_40 C26_40 118.6(6) . . ?
C22_40 C21_40 C5_40 119.8(6) . . ?
C26_40 C21_40 C5_40 121.6(5) . . ?
C21_40 C22_40 C23_40 121.2(6) . . ?
C21_40 C22_40 H22_40 119.4 . . ?
C23_40 C22_40 H22_40 119.4 . . ?
C22_40 C23_40 C24_40 119.5(6) . . ?
C22_40 C23_40 H23_40 120.2 . . ?
C24_40 C23_40 H23_40 120.2 . . ?
C25_40 C24_40 C23_40 120.3(6) . . ?
C25_40 C24_40 C27_40 119.0(6) . . ?
C23_40 C24_40 C27_40 120.7(6) . . ?
C24_40 C25_40 C26_40 119.1(6) . . ?
C24_40 C25_40 H25_40 120.5 . . ?
C26_40 C25_40 H25_40 120.5 . . ?
C21_40 C26_40 C25_40 121.2(6) . . ?
C21_40 C26_40 H26_40 119.4 . . ?
C25_40 C26_40 H26_40 119.4 . . ?
O6_40 C27_40 O5_40 124.3(6) . . ?
O6_40 C27_40 C24_40 117.9(6) . . ?
O5_40 C27_40 C24_40 117.6(7) . . ?
C13_40 O2_40 H2A_40 109.5 . . ?
C20_40 O3_40 H3A_40 109.5 . . ?
C27_40 O6_40 H6A_40 109.5 . . ?
C2_41 C1_41 C6_41 118.2(6) . . ?
C2_41 C1_41 C7_41 121.3(5) . . ?
C6_41 C1_41 C7_41 120.4(5) . . ?
C1_41 C2_41 C3_41 121.9(5) . . ?
C1_41 C2_41 H2_41 119.1 . . ?
C3_41 C2_41 H2_41 119.1 . . ?
C4_41 C3_41 C2_41 118.1(5) . . ?
C4_41 C3_41 C14_41 121.4(6) . . ?
C2_41 C3_41 C14_41 120.5(5) . . ?
C3_41 C4_41 C5_41 121.6(6) . . ?
C3_41 C4_41 H4_41 119.2 . . ?
C5_41 C4_41 H4_41 119.2 . . ?
C6_41 C5_41 C4_41 118.8(5) . . ?
C6_41 C5_41 C21_41 122.2(5) . . ?
C4_41 C5_41 C21_41 119.0(6) . . ?
C5_41 C6_41 C1_41 121.4(5) . . ?
C5_41 C6_41 H6_41 119.3 . . ?
C1_41 C6_41 H6_41 119.3 . . ?
C12_41 C7_41 C8_41 119.1(6) . . ?
C12_41 C7_41 C1_41 119.4(6) . . ?
C8_41 C7_41 C1_41 121.5(5) . . ?
C9_41 C8_41 C7_41 122.3(6) . . ?
C9_41 C8_41 H8_41 118.9 . . ?
C7_41 C8_41 H8_41 118.9 . . ?
C8_41 C9_41 C10_41 117.6(6) . . ?
C8_41 C9_41 H9_41 121.2 . . ?
C10_41 C9_41 H9_41 121.2 . . ?
C11_41 C10_41 C9_41 121.2(6) . . ?
C11_41 C10_41 C13_41 119.8(6) . . ?
C9_41 C10_41 C13_41 118.6(6) . . ?
C10_41 C11_41 C12_41 119.9(6) . . ?
C10_41 C11_41 H11_41 120.1 . . ?
C12_41 C11_41 H11_41 120.1 . . ?
C7_41 C12_41 C11_41 119.8(6) . . ?
C7_41 C12_41 H12_41 120.1 . . ?
C11_41 C12_41 H12_41 120.1 . . ?
O2_41 C13_41 O1_41 122.5(6) . . ?
O2_41 C13_41 C10_41 118.2(6) . . ?
O1_41 C13_41 C10_41 119.3(6) . . ?
C15_41 C14_41 C19_41 117.3(6) . . ?
C15_41 C14_41 C3_41 123.2(5) . . ?
C19_41 C14_41 C3_41 119.4(6) . . ?
C14_41 C15_41 C16_41 121.9(6) . . ?
C14_41 C15_41 H15_41 119.0 . . ?
C16_41 C15_41 H15_41 119.0 . . ?
C17_41 C16_41 C15_41 121.5(6) . . ?
C17_41 C16_41 H16_41 119.3 . . ?
C15_41 C16_41 H16_41 119.3 . . ?
C16_41 C17_41 C18_41 117.7(6) . . ?
C16_41 C17_41 C20_41 123.6(7) . . ?
C18_41 C17_41 C20_41 118.7(6) . . ?
C19_41 C18_41 C17_41 120.6(6) . . ?
C19_41 C18_41 H18_41 119.7 . . ?
C17_41 C18_41 H18_41 119.7 . . ?
C18_41 C19_41 C14_41 121.0(6) . . ?
C18_41 C19_41 H19_41 119.5 . . ?
C14_41 C19_41 H19_41 119.5 . . ?
O4_41 C20_41 O3_41 122.5(6) . . ?
O4_41 C20_41 C17_41 121.3(7) . . ?
O3_41 C20_41 C17_41 116.2(6) . . ?
C22_41 C21_41 C26_41 120.3(6) . . ?
C22_41 C21_41 C5_41 118.8(6) . . ?
C26_41 C21_41 C5_41 120.8(5) . . ?
C23_41 C22_41 C21_41 119.6(6) . . ?
C23_41 C22_41 H22_41 120.2 . . ?
C21_41 C22_41 H22_41 120.2 . . ?
C22_41 C23_41 C24_41 122.7(6) . . ?
C22_41 C23_41 H23_41 118.6 . . ?
C24_41 C23_41 H23_41 118.6 . . ?
C23_41 C24_41 C27_41 122.2(6) . . ?
C23_41 C24_41 C25_41 117.6(6) . . ?
C27_41 C24_41 C25_41 120.2(7) . . ?
C26_41 C25_41 C24_41 119.0(6) . . ?
C26_41 C25_41 H25_41 120.5 . . ?
C24_41 C25_41 H25_41 120.5 . . ?
C25_41 C26_41 C21_41 120.7(6) . . ?
C25_41 C26_41 H26_41 119.6 . . ?
C21_41 C26_41 H26_41 119.6 . . ?
O5_41 C27_41 O6_41 123.8(6) . . ?
O5_41 C27_41 C24_41 120.3(7) . . ?
O6_41 C27_41 C24_41 116.0(6) . . ?
C13_41 O2_41 H2A_41 109.5 . . ?
C20_41 O3_41 H3A_41 109.5 . . ?
C27_41 O6_41 H6A_41 109.5 . . ?
C6_42 C1_42 C2_42 115.1(5) . . ?
C6_42 C1_42 C7_42 122.5(5) . . ?
C2_42 C1_42 C7_42 122.3(5) . . ?
C3_42 C2_42 C1_42 123.3(5) . . ?
C3_42 C2_42 H2_42 118.3 . . ?
C1_42 C2_42 H2_42 118.3 . . ?
C2_42 C3_42 C4_42 118.3(5) . . ?
C2_42 C3_42 C14_42 120.9(5) . . ?
C4_42 C3_42 C14_42 120.5(5) . . ?
C5_42 C4_42 C3_42 122.0(6) . . ?
C5_42 C4_42 H4_42 119.0 . . ?
C3_42 C4_42 H4_42 119.0 . . ?
C4_42 C5_42 C6_42 117.5(5) . . ?
C4_42 C5_42 C21_42 123.0(6) . . ?
C6_42 C5_42 C21_42 119.6(5) . . ?
C5_42 C6_42 C1_42 123.5(5) . . ?
C5_42 C6_42 H6_42 118.3 . . ?
C1_42 C6_42 H6_42 118.3 . . ?
C8_42 C7_42 C12_42 115.4(5) . . ?
C8_42 C7_42 C1_42 123.5(5) . . ?
C12_42 C7_42 C1_42 121.1(5) . . ?
C9_42 C8_42 C7_42 122.9(5) . . ?
C9_42 C8_42 H8_42 118.5 . . ?
C7_42 C8_42 H8_42 118.5 . . ?
C8_42 C9_42 C10_42 120.4(6) . . ?
C8_42 C9_42 H9_42 119.8 . . ?
C10_42 C9_42 H9_42 119.8 . . ?
C11_42 C10_42 C9_42 119.5(6) . . ?
C11_42 C10_42 C13_42 119.9(5) . . ?
C9_42 C10_42 C13_42 120.6(6) . . ?
C10_42 C11_42 C12_42 120.4(5) . . ?
C10_42 C11_42 H11_42 119.8 . . ?
C12_42 C11_42 H11_42 119.8 . . ?
C11_42 C12_42 C7_42 121.4(5) . . ?
C11_42 C12_42 H12_42 119.3 . . ?
C7_42 C12_42 H12_42 119.3 . . ?
O1_42 C13_42 O2_42 120.0(6) . . ?
O1_42 C13_42 C10_42 122.7(5) . . ?
O2_42 C13_42 C10_42 117.2(5) . . ?
C15_42 C14_42 C19_42 119.6(5) . . ?
C15_42 C14_42 C3_42 121.1(5) . . ?
C19_42 C14_42 C3_42 119.3(5) . . ?
C14_42 C15_42 C16_42 120.4(6) . . ?
C14_42 C15_42 H15_42 119.8 . . ?
C16_42 C15_42 H15_42 119.8 . . ?
C17_42 C16_42 C15_42 121.7(6) . . ?
C17_42 C16_42 H16_42 119.1 . . ?
C15_42 C16_42 H16_42 119.1 . . ?
C16_42 C17_42 C18_42 117.6(6) . . ?
C16_42 C17_42 C20_42 120.5(6) . . ?
C18_42 C17_42 C20_42 121.8(6) . . ?
C19_42 C18_42 C17_42 122.9(6) . . ?
C19_42 C18_42 H18_42 118.6 . . ?
C17_42 C18_42 H18_42 118.6 . . ?
C18_42 C19_42 C14_42 117.8(6) . . ?
C18_42 C19_42 H19_42 121.1 . . ?
C14_42 C19_42 H19_42 121.1 . . ?
O3_42 C20_42 O4_42 123.2(6) . . ?
O3_42 C20_42 C17_42 121.1(6) . . ?
O4_42 C20_42 C17_42 115.7(6) . . ?
C26_42 C21_42 C22_42 119.1(5) . . ?
C26_42 C21_42 C5_42 120.5(5) . . ?
C22_42 C21_42 C5_42 120.4(6) . . ?
C23_42 C22_42 C21_42 120.2(6) . . ?
C23_42 C22_42 H22_42 119.9 . . ?
C21_42 C22_42 H22_42 119.9 . . ?
C22_42 C23_42 C24_42 118.9(5) . . ?
C22_42 C23_42 H23_42 120.6 . . ?
C24_42 C23_42 H23_42 120.6 . . ?
C25_42 C24_42 C23_42 121.3(6) . . ?
C25_42 C24_42 C27_42 120.3(6) . . ?
C23_42 C24_42 C27_42 118.4(6) . . ?
C26_42 C25_42 C24_42 119.4(7) . . ?
C26_42 C25_42 H25_42 120.3 . . ?
C24_42 C25_42 H25_42 120.3 . . ?
C25_42 C26_42 C21_42 121.0(6) . . ?
C25_42 C26_42 H26_42 119.5 . . ?
C21_42 C26_42 H26_42 119.5 . . ?
O5_42 C27_42 O6_42 125.3(6) . . ?
O5_42 C27_42 C24_42 118.1(7) . . ?
O6_42 C27_42 C24_42 116.4(6) . . ?
C13_42 O2_42 H2A_42 109.5 . . ?
C20_42 O3_42 H3A_42 109.5 . . ?
C27_42 O6_42 H6A_42 109.5 . . ?
C2_43 C1_43 C6_43 118.2(5) . . ?
C2_43 C1_43 C7_43 122.2(5) . . ?
C6_43 C1_43 C7_43 119.6(6) . . ?
C3_43 C2_43 C1_43 123.6(5) . . ?
C3_43 C2_43 H2_43 118.2 . . ?
C1_43 C2_43 H2_43 118.2 . . ?
C2_43 C3_43 C4_43 116.8(6) . . ?
C2_43 C3_43 C14_43 122.0(5) . . ?
C4_43 C3_43 C14_43 121.2(5) . . ?
C5_43 C4_43 C3_43 122.7(5) . . ?
C5_43 C4_43 H4_43 118.6 . . ?
C3_43 C4_43 H4_43 118.6 . . ?
C4_43 C5_43 C6_43 119.5(5) . . ?
C4_43 C5_43 C21_43 121.2(5) . . ?
C6_43 C5_43 C21_43 119.2(5) . . ?
C5_43 C6_43 C1_43 119.1(6) . . ?
C5_43 C6_43 H6_43 120.4 . . ?
C1_43 C6_43 H6_43 120.4 . . ?
C12_43 C7_43 C8_43 118.8(5) . . ?
C12_43 C7_43 C1_43 121.6(6) . . ?
C8_43 C7_43 C1_43 119.6(6) . . ?
C7_43 C8_43 C9_43 119.5(6) . . ?
C7_43 C8_43 H8_43 120.2 . . ?
C9_43 C8_43 H8_43 120.2 . . ?
C10_43 C9_43 C8_43 121.6(6) . . ?
C10_43 C9_43 H9_43 119.2 . . ?
C8_43 C9_43 H9_43 119.2 . . ?
C11_43 C10_43 C9_43 117.8(6) . . ?
C11_43 C10_43 C13_43 120.8(7) . . ?
C9_43 C10_43 C13_43 121.4(6) . . ?
C10_43 C11_43 C12_43 122.1(7) . . ?
C10_43 C11_43 H11_43 118.9 . . ?
C12_43 C11_43 H11_43 118.9 . . ?
C7_43 C12_43 C11_43 120.1(6) . . ?
C7_43 C12_43 H12_43 120.0 . . ?
C11_43 C12_43 H12_43 120.0 . . ?
O2_43 C13_43 O1_43 122.8(6) . . ?
O2_43 C13_43 C10_43 119.8(7) . . ?
O1_43 C13_43 C10_43 117.4(7) . . ?
C15_43 C14_43 C19_43 115.5(5) . . ?
C15_43 C14_43 C3_43 122.7(5) . . ?
C19_43 C14_43 C3_43 121.8(5) . . ?
C16_43 C15_43 C14_43 123.2(5) . . ?
C16_43 C15_43 H15_43 118.4 . . ?
C14_43 C15_43 H15_43 118.4 . . ?
C15_43 C16_43 C17_43 121.0(5) . . ?
C15_43 C16_43 H16_43 119.5 . . ?
C17_43 C16_43 H16_43 119.5 . . ?
C18_43 C17_43 C16_43 117.9(5) . . ?
C18_43 C17_43 C20_43 121.7(5) . . ?
C16_43 C17_43 C20_43 120.5(5) . . ?
C17_43 C18_43 C19_43 121.3(5) . . ?
C17_43 C18_43 H18_43 119.4 . . ?
C19_43 C18_43 H18_43 119.4 . . ?
C18_43 C19_43 C14_43 121.2(5) . . ?
C18_43 C19_43 H19_43 119.4 . . ?
C14_43 C19_43 H19_43 119.4 . . ?
O4_43 C20_43 O3_43 121.8(6) . . ?
O4_43 C20_43 C17_43 121.2(5) . . ?
O3_43 C20_43 C17_43 116.9(5) . . ?
C26_43 C21_43 C22_43 119.1(5) . . ?
C26_43 C21_43 C5_43 120.7(6) . . ?
C22_43 C21_43 C5_43 120.2(5) . . ?
C21_43 C22_43 C23_43 120.3(5) . . ?
C21_43 C22_43 H22_43 119.8 . . ?
C23_43 C22_43 H22_43 119.8 . . ?
C22_43 C23_43 C24_43 118.9(6) . . ?
C22_43 C23_43 H23_43 120.6 . . ?
C24_43 C23_43 H23_43 120.6 . . ?
C25_43 C24_43 C23_43 120.4(5) . . ?
C25_43 C24_43 C27_43 121.4(5) . . ?
C23_43 C24_43 C27_43 118.1(6) . . ?
C24_43 C25_43 C26_43 119.3(6) . . ?
C24_43 C25_43 H25_43 120.3 . . ?
C26_43 C25_43 H25_43 120.3 . . ?
C21_43 C26_43 C25_43 121.8(6) . . ?
C21_43 C26_43 H26_43 119.1 . . ?
C25_43 C26_43 H26_43 119.1 . . ?
O5_43 C27_43 O6_43 124.4(5) . . ?
O5_43 C27_43 C24_43 117.8(6) . . ?
O6_43 C27_43 C24_43 117.8(6) . . ?
C13_43 O2_43 H2A_43 109.5 . . ?
C20_43 O3_43 H3A_43 109.5 . . ?
C27_43 O6_43 H6A_43 109.5 . . ?
C6_44 C1_44 C2_44 117.5(6) . . ?
C6_44 C1_44 C7_44 121.5(5) . . ?
C2_44 C1_44 C7_44 121.0(5) . . ?
C3_44 C2_44 C1_44 121.5(5) . . ?
C3_44 C2_44 H2_44 119.3 . . ?
C1_44 C2_44 H2_44 119.3 . . ?
C2_44 C3_44 C4_44 119.1(5) . . ?
C2_44 C3_44 C14_44 120.5(5) . . ?
C4_44 C3_44 C14_44 120.3(6) . . ?
C3_44 C4_44 C5_44 119.9(6) . . ?
C3_44 C4_44 H4_44 120.0 . . ?
C5_44 C4_44 H4_44 120.0 . . ?
C6_44 C5_44 C4_44 118.9(5) . . ?
C6_44 C5_44 C21_44 122.8(5) . . ?
C4_44 C5_44 C21_44 118.3(5) . . ?
C5_44 C6_44 C1_44 122.9(5) . . ?
C5_44 C6_44 H6_44 118.6 . . ?
C1_44 C6_44 H6_44 118.6 . . ?
C12_44 C7_44 C8_44 118.7(6) . . ?
C12_44 C7_44 C1_44 120.8(5) . . ?
C8_44 C7_44 C1_44 120.1(5) . . ?
C9_44 C8_44 C7_44 119.8(5) . . ?
C9_44 C8_44 H8_44 120.1 . . ?
C7_44 C8_44 H8_44 120.1 . . ?
C8_44 C9_44 C10_44 121.1(5) . . ?
C8_44 C9_44 H9_44 119.4 . . ?
C10_44 C9_44 H9_44 119.4 . . ?
C11_44 C10_44 C9_44 118.0(5) . . ?
C11_44 C10_44 C13_44 122.1(5) . . ?
C9_44 C10_44 C13_44 119.8(5) . . ?
C12_44 C11_44 C10_44 121.2(5) . . ?
C12_44 C11_44 H11_44 119.4 . . ?
C10_44 C11_44 H11_44 119.4 . . ?
C11_44 C12_44 C7_44 120.9(5) . . ?
C11_44 C12_44 H12_44 119.5 . . ?
C7_44 C12_44 H12_44 119.5 . . ?
O1_44 C13_44 O2_44 122.0(6) . . ?
O1_44 C13_44 C10_44 122.1(6) . . ?
O2_44 C13_44 C10_44 115.8(6) . . ?
C19_44 C14_44 C15_44 118.4(5) . . ?
C19_44 C14_44 C3_44 121.3(6) . . ?
C15_44 C14_44 C3_44 120.3(5) . . ?
C16_44 C15_44 C14_44 120.8(6) . . ?
C16_44 C15_44 H15_44 119.6 . . ?
C14_44 C15_44 H15_44 119.6 . . ?
C15_44 C16_44 C17_44 120.5(6) . . ?
C15_44 C16_44 H16_44 119.7 . . ?
C17_44 C16_44 H16_44 119.7 . . ?
C16_44 C17_44 C18_44 119.9(5) . . ?
C16_44 C17_44 C20_44 120.2(6) . . ?
C18_44 C17_44 C20_44 119.9(6) . . ?
C17_44 C18_44 C19_44 120.7(6) . . ?
C17_44 C18_44 H18_44 119.7 . . ?
C19_44 C18_44 H18_44 119.7 . . ?
C14_44 C19_44 C18_44 119.6(6) . . ?
C14_44 C19_44 H19_44 120.2 . . ?
C18_44 C19_44 H19_44 120.2 . . ?
O4_44 C20_44 O3_44 124.2(6) . . ?
O4_44 C20_44 C17_44 120.7(7) . . ?
O3_44 C20_44 C17_44 115.1(6) . . ?
C26_44 C21_44 C22_44 118.9(5) . . ?
C26_44 C21_44 C5_44 122.6(5) . . ?
C22_44 C21_44 C5_44 118.5(6) . . ?
C23_44 C22_44 C21_44 121.3(6) . . ?
C23_44 C22_44 H22_44 119.4 . . ?
C21_44 C22_44 H22_44 119.4 . . ?
C22_44 C23_44 C24_44 119.0(6) . . ?
C22_44 C23_44 H23_44 120.5 . . ?
C24_44 C23_44 H23_44 120.5 . . ?
C25_44 C24_44 C23_44 119.4(5) . . ?
C25_44 C24_44 C27_44 120.1(6) . . ?
C23_44 C24_44 C27_44 120.2(5) . . ?
C26_44 C25_44 C24_44 120.1(7) . . ?
C26_44 C25_44 H25_44 119.9 . . ?
C24_44 C25_44 H25_44 119.9 . . ?
C25_44 C26_44 C21_44 121.0(6) . . ?
C25_44 C26_44 H26_44 119.5 . . ?
C21_44 C26_44 H26_44 119.5 . . ?
O6_44 C27_44 O5_44 123.1(5) . . ?
O6_44 C27_44 C24_44 118.6(6) . . ?
O5_44 C27_44 C24_44 118.3(6) . . ?
C13_44 O2_44 H2A_44 109.5 . . ?
C20_44 O3_44 H3A_44 109.5 . . ?
C27_44 O6_44 H6A_44 109.5 . . ?
C6_45 C1_45 C2_45 114.9(6) . . ?
C6_45 C1_45 C7_45 123.4(5) . . ?
C2_45 C1_45 C7_45 121.7(5) . . ?
C3_45 C2_45 C1_45 122.5(6) . . ?
C3_45 C2_45 H2_45 118.7 . . ?
C1_45 C2_45 H2_45 118.7 . . ?
C2_45 C3_45 C4_45 119.6(6) . . ?
C2_45 C3_45 C14_45 121.9(5) . . ?
C4_45 C3_45 C14_45 118.5(6) . . ?
C5_45 C4_45 C3_45 121.1(6) . . ?
C5_45 C4_45 H4_45 119.4 . . ?
C3_45 C4_45 H4_45 119.4 . . ?
C6_45 C5_45 C4_45 117.8(6) . . ?
C6_45 C5_45 C21_45 121.8(6) . . ?
C4_45 C5_45 C21_45 120.3(6) . . ?
C5_45 C6_45 C1_45 123.9(6) . . ?
C5_45 C6_45 H6_45 118.1 . . ?
C1_45 C6_45 H6_45 118.1 . . ?
C12_45 C7_45 C8_45 117.2(6) . . ?
C12_45 C7_45 C1_45 121.4(5) . . ?
C8_45 C7_45 C1_45 121.4(5) . . ?
C9_45 C8_45 C7_45 121.4(5) . . ?
C9_45 C8_45 H8_45 119.3 . . ?
C7_45 C8_45 H8_45 119.3 . . ?
C8_45 C9_45 C10_45 120.6(6) . . ?
C8_45 C9_45 H9_45 119.7 . . ?
C10_45 C9_45 H9_45 119.7 . . ?
C11_45 C10_45 C9_45 117.6(6) . . ?
C11_45 C10_45 C13_45 125.4(6) . . ?
C9_45 C10_45 C13_45 117.0(6) . . ?
C10_45 C11_45 C12_45 122.1(6) . . ?
C10_45 C11_45 H11_45 119.0 . . ?
C12_45 C11_45 H11_45 119.0 . . ?
C7_45 C12_45 C11_45 121.1(6) . . ?
C7_45 C12_45 H12_45 119.5 . . ?
C11_45 C12_45 H12_45 119.5 . . ?
O1_45 C13_45 O2_45 121.9(6) . . ?
O1_45 C13_45 C10_45 125.0(6) . . ?
O2_45 C13_45 C10_45 113.0(6) . . ?
C19_45 C14_45 C15_45 118.5(6) . . ?
C19_45 C14_45 C3_45 122.0(6) . . ?
C15_45 C14_45 C3_45 119.4(6) . . ?
C16_45 C15_45 C14_45 119.9(6) . . ?
C16_45 C15_45 H15_45 120.0 . . ?
C14_45 C15_45 H15_45 120.0 . . ?
C17_45 C16_45 C15_45 122.3(7) . . ?
C17_45 C16_45 H16_45 118.9 . . ?
C15_45 C16_45 H16_45 118.9 . . ?
C16_45 C17_45 C20_45 122.8(7) . . ?
C16_45 C17_45 C18_45 117.8(6) . . ?
C20_45 C17_45 C18_45 119.4(6) . . ?
C19_45 C18_45 C17_45 119.4(6) . . ?
C19_45 C18_45 H18_45 120.3 . . ?
C17_45 C18_45 H18_45 120.3 . . ?
C14_45 C19_45 C18_45 121.9(7) . . ?
C14_45 C19_45 H19_45 119.0 . . ?
C18_45 C19_45 H19_45 119.0 . . ?
O4_45 C20_45 O3_45 120.6(6) . . ?
O4_45 C20_45 C17_45 123.8(7) . . ?
O3_45 C20_45 C17_45 115.6(6) . . ?
C26_45 C21_45 C22_45 118.4(6) . . ?
C26_45 C21_45 C5_45 120.7(6) . . ?
C22_45 C21_45 C5_45 120.9(6) . . ?
C23_45 C22_45 C21_45 122.9(7) . . ?
C23_45 C22_45 H22_45 118.5 . . ?
C21_45 C22_45 H22_45 118.5 . . ?
C24_45 C23_45 C22_45 117.5(6) . . ?
C24_45 C23_45 H23_45 121.2 . . ?
C22_45 C23_45 H23_45 121.2 . . ?
C23_45 C24_45 C25_45 122.3(6) . . ?
C23_45 C24_45 C27_45 119.3(6) . . ?
C25_45 C24_45 C27_45 118.4(7) . . ?
C24_45 C25_45 C26_45 116.6(7) . . ?
C24_45 C25_45 H25_45 121.7 . . ?
C26_45 C25_45 H25_45 121.7 . . ?
C21_45 C26_45 C25_45 121.9(7) . . ?
C21_45 C26_45 H26_45 119.0 . . ?
C25_45 C26_45 H26_45 119.0 . . ?
O5_45 C27_45 O6_45 123.7(6) . . ?
O5_45 C27_45 C24_45 117.9(7) . . ?
O6_45 C27_45 C24_45 118.4(6) . . ?
C13_45 O2_45 H2A_45 109.5 . . ?
C20_45 O3_45 H3A_45 109.5 . . ?
C27_45 O6_45 H6A_45 109.5 . . ?
C6_46 C1_46 C2_46 118.7(6) . . ?
C6_46 C1_46 C7_46 120.8(5) . . ?
C2_46 C1_46 C7_46 120.5(5) . . ?
C1_46 C2_46 C3_46 121.8(5) . . ?
C1_46 C2_46 H2_46 119.1 . . ?
C3_46 C2_46 H2_46 119.1 . . ?
C2_46 C3_46 C4_46 117.1(5) . . ?
C2_46 C3_46 C14_46 121.9(5) . . ?
C4_46 C3_46 C14_46 120.6(5) . . ?
C5_46 C4_46 C3_46 120.9(6) . . ?
C5_46 C4_46 H4_46 119.5 . . ?
C3_46 C4_46 H4_46 119.5 . . ?
C4_46 C5_46 C6_46 121.0(6) . . ?
C4_46 C5_46 C21_46 120.0(6) . . ?
C6_46 C5_46 C21_46 119.0(5) . . ?
C1_46 C6_46 C5_46 120.3(6) . . ?
C1_46 C6_46 H6_46 119.8 . . ?
C5_46 C6_46 H6_46 119.8 . . ?
C12_46 C7_46 C8_46 119.4(6) . . ?
C12_46 C7_46 C1_46 119.9(5) . . ?
C8_46 C7_46 C1_46 120.5(5) . . ?
C9_46 C8_46 C7_46 118.9(6) . . ?
C9_46 C8_46 H8_46 120.6 . . ?
C7_46 C8_46 H8_46 120.6 . . ?
C8_46 C9_46 C10_46 120.3(6) . . ?
C8_46 C9_46 H9_46 119.8 . . ?
C10_46 C9_46 H9_46 119.8 . . ?
C11_46 C10_46 C9_46 118.7(6) . . ?
C11_46 C10_46 C13_46 120.3(5) . . ?
C9_46 C10_46 C13_46 121.0(5) . . ?
C12_46 C11_46 C10_46 121.8(6) . . ?
C12_46 C11_46 H11_46 119.1 . . ?
C10_46 C11_46 H11_46 119.1 . . ?
C7_46 C12_46 C11_46 120.5(6) . . ?
C7_46 C12_46 H12_46 119.7 . . ?
C11_46 C12_46 H12_46 119.7 . . ?
O2_46 C13_46 O1_46 128.5(7) . . ?
O2_46 C13_46 C10_46 118.9(5) . . ?
O1_46 C13_46 C10_46 112.5(5) . . ?
C15_46 C14_46 C19_46 120.0(6) . . ?
C15_46 C14_46 C3_46 120.4(5) . . ?
C19_46 C14_46 C3_46 119.5(6) . . ?
C14_46 C15_46 C16_46 121.5(6) . . ?
C14_46 C15_46 H15_46 119.2 . . ?
C16_46 C15_46 H15_46 119.2 . . ?
C17_46 C16_46 C15_46 117.8(7) . . ?
C17_46 C16_46 H16_46 121.1 . . ?
C15_46 C16_46 H16_46 121.1 . . ?
C16_46 C17_46 C18_46 121.3(6) . . ?
C16_46 C17_46 C20_46 119.9(7) . . ?
C18_46 C17_46 C20_46 118.7(6) . . ?
C19_46 C18_46 C17_46 120.2(6) . . ?
C19_46 C18_46 H18_46 119.9 . . ?
C17_46 C18_46 H18_46 119.9 . . ?
C18_46 C19_46 C14_46 118.9(6) . . ?
C18_46 C19_46 H19_46 120.5 . . ?
C14_46 C19_46 H19_46 120.5 . . ?
O5_46 C20_46 O3_46 120.1(6) . . ?
O5_46 C20_46 C17_46 122.5(7) . . ?
O3_46 C20_46 C17_46 117.3(7) . . ?
C22_46 C21_46 C26_46 119.4(6) . . ?
C22_46 C21_46 C5_46 121.1(6) . . ?
C26_46 C21_46 C5_46 119.4(6) . . ?
C21_46 C22_46 C23_46 120.5(6) . . ?
C21_46 C22_46 H22_46 119.8 . . ?
C23_46 C22_46 H22_46 119.8 . . ?
C22_46 C23_46 C24_46 120.8(6) . . ?
C22_46 C23_46 H23_46 119.6 . . ?
C24_46 C23_46 H23_46 119.6 . . ?
C25_46 C24_46 C23_46 119.7(6) . . ?
C25_46 C24_46 C27_46 121.0(6) . . ?
C23_46 C24_46 C27_46 119.2(6) . . ?
C24_46 C25_46 C26_46 118.5(7) . . ?
C24_46 C25_46 H25_46 120.7 . . ?
C26_46 C25_46 H25_46 120.7 . . ?
C21_46 C26_46 C25_46 121.1(6) . . ?
C21_46 C26_46 H26_46 119.4 . . ?
C25_46 C26_46 H26_46 119.4 . . ?
O4_46 C27_46 O6_46 124.9(6) . . ?
O4_46 C27_46 C24_46 119.8(7) . . ?
O6_46 C27_46 C24_46 115.3(6) . . ?
C13_46 O1_46 H1A_46 109.5 . . ?
C20_46 O3_46 H3A_46 109.5 . . ?
C27_46 O6_46 H6A_46 109.5 . . ?
C2_47 C1_47 C6_47 117.9(6) . . ?
C2_47 C1_47 C7_47 122.9(5) . . ?
C6_47 C1_47 C7_47 119.1(5) . . ?
C1_47 C2_47 C3_47 122.3(5) . . ?
C1_47 C2_47 H2_47 118.8 . . ?
C3_47 C2_47 H2_47 118.8 . . ?
C4_47 C3_47 C2_47 117.5(5) . . ?
C4_47 C3_47 C14_47 122.1(6) . . ?
C2_47 C3_47 C14_47 120.4(5) . . ?
C5_47 C4_47 C3_47 121.9(6) . . ?
C5_47 C4_47 H4_47 119.1 . . ?
C3_47 C4_47 H4_47 119.1 . . ?
C6_47 C5_47 C4_47 119.5(5) . . ?
C6_47 C5_47 C21_47 120.2(5) . . ?
C4_47 C5_47 C21_47 120.3(6) . . ?
C5_47 C6_47 C1_47 120.8(5) . . ?
C5_47 C6_47 H6_47 119.6 . . ?
C1_47 C6_47 H6_47 119.6 . . ?
C12_47 C7_47 C8_47 118.1(6) . . ?
C12_47 C7_47 C1_47 121.8(5) . . ?
C8_47 C7_47 C1_47 119.9(6) . . ?
C9_47 C8_47 C7_47 120.0(6) . . ?
C9_47 C8_47 H8_47 120.0 . . ?
C7_47 C8_47 H8_47 120.0 . . ?
C8_47 C9_47 C10_47 120.2(6) . . ?
C8_47 C9_47 H9_47 119.9 . . ?
C10_47 C9_47 H9_47 119.9 . . ?
C11_47 C10_47 C9_47 118.8(6) . . ?
C11_47 C10_47 C13_47 121.2(6) . . ?
C9_47 C10_47 C13_47 120.0(6) . . ?
C12_47 C11_47 C10_47 123.0(6) . . ?
C12_47 C11_47 H11_47 118.5 . . ?
C10_47 C11_47 H11_47 118.5 . . ?
C11_47 C12_47 C7_47 119.7(6) . . ?
C11_47 C12_47 H12_47 120.1 . . ?
C7_47 C12_47 H12_47 120.1 . . ?
O2_47 C13_47 O1_47 125.6(6) . . ?
O2_47 C13_47 C10_47 117.6(6) . . ?
O1_47 C13_47 C10_47 116.7(6) . . ?
C19_47 C14_47 C15_47 116.5(6) . . ?
C19_47 C14_47 C3_47 123.6(6) . . ?
C15_47 C14_47 C3_47 119.9(5) . . ?
C16_47 C15_47 C14_47 123.7(6) . . ?
C16_47 C15_47 H15_47 118.1 . . ?
C14_47 C15_47 H15_47 118.1 . . ?
C15_47 C16_47 C17_47 115.8(6) . . ?
C15_47 C16_47 H16_47 122.1 . . ?
C17_47 C16_47 H16_47 122.1 . . ?
C18_47 C17_47 C16_47 120.6(6) . . ?
C18_47 C17_47 C20_47 123.7(6) . . ?
C16_47 C17_47 C20_47 115.7(6) . . ?
C19_47 C18_47 C17_47 120.5(6) . . ?
C19_47 C18_47 H18_47 119.8 . . ?
C17_47 C18_47 H18_47 119.8 . . ?
C18_47 C19_47 C14_47 122.9(6) . . ?
C18_47 C19_47 H19_47 118.6 . . ?
C14_47 C19_47 H19_47 118.6 . . ?
O3_47 C20_47 O4_47 126.1(6) . . ?
O3_47 C20_47 C17_47 119.3(6) . . ?
O4_47 C20_47 C17_47 114.5(7) . . ?
C26_47 C21_47 C22_47 120.0(5) . . ?
C26_47 C21_47 C5_47 120.4(5) . . ?
C22_47 C21_47 C5_47 119.6(6) . . ?
C23_47 C22_47 C21_47 120.8(6) . . ?
C23_47 C22_47 H22_47 119.6 . . ?
C21_47 C22_47 H22_47 119.6 . . ?
C22_47 C23_47 C24_47 118.4(6) . . ?
C22_47 C23_47 H23_47 120.8 . . ?
C24_47 C23_47 H23_47 120.8 . . ?
C25_47 C24_47 C23_47 120.6(5) . . ?
C25_47 C24_47 C27_47 121.5(6) . . ?
C23_47 C24_47 C27_47 117.9(5) . . ?
C24_47 C25_47 C26_47 119.2(6) . . ?
C24_47 C25_47 H25_47 120.4 . . ?
C26_47 C25_47 H25_47 120.4 . . ?
C21_47 C26_47 C25_47 120.9(6) . . ?
C21_47 C26_47 H26_47 119.6 . . ?
C25_47 C26_47 H26_47 119.6 . . ?
O5_47 C27_47 O6_47 123.0(6) . . ?
O5_47 C27_47 C24_47 120.1(6) . . ?
O6_47 C27_47 C24_47 116.8(6) . . ?
C13_47 O1_47 H1A_47 109.5 . . ?
C20_47 O3_47 H3A_47 109.5 . . ?
C27_47 O6_47 H6A_47 109.5 . . ?
C2_48 C1_48 C6_48 115.6(6) . . ?
C2_48 C1_48 C7_48 122.4(6) . . ?
C6_48 C1_48 C7_48 122.0(6) . . ?
C3_48 C2_48 C1_48 122.7(6) . . ?
C3_48 C2_48 H2_48 118.7 . . ?
C1_48 C2_48 H2_48 118.7 . . ?
C2_48 C3_48 C4_48 118.7(5) . . ?
C2_48 C3_48 C14_48 118.9(5) . . ?
C4_48 C3_48 C14_48 122.3(6) . . ?
C5_48 C4_48 C3_48 120.8(6) . . ?
C5_48 C4_48 H4_48 119.6 . . ?
C3_48 C4_48 H4_48 119.6 . . ?
C6_48 C5_48 C4_48 119.0(5) . . ?
C6_48 C5_48 C21_48 120.2(5) . . ?
C4_48 C5_48 C21_48 120.6(6) . . ?
C5_48 C6_48 C1_48 123.0(5) . . ?
C5_48 C6_48 H6_48 118.5 . . ?
C1_48 C6_48 H6_48 118.5 . . ?
C8_48 C7_48 C12_48 115.5(6) . . ?
C8_48 C7_48 C1_48 122.3(6) . . ?
C12_48 C7_48 C1_48 122.2(6) . . ?
C7_48 C8_48 C9_48 122.4(6) . . ?
C7_48 C8_48 H8_48 118.8 . . ?
C9_48 C8_48 H8_48 118.8 . . ?
C10_48 C9_48 C8_48 121.1(6) . . ?
C10_48 C9_48 H9_48 119.5 . . ?
C8_48 C9_48 H9_48 119.5 . . ?
C9_48 C10_48 C13_48 121.1(6) . . ?
C9_48 C10_48 C11_48 116.7(6) . . ?
C13_48 C10_48 C11_48 122.1(7) . . ?
C12_48 C11_48 C10_48 121.7(7) . . ?
C12_48 C11_48 H11_48 119.2 . . ?
C10_48 C11_48 H11_48 119.2 . . ?
C11_48 C12_48 C7_48 122.5(6) . . ?
C11_48 C12_48 H12_48 118.8 . . ?
C7_48 C12_48 H12_48 118.8 . . ?
O1_48 C13_48 O2_48 118.4(6) . . ?
O1_48 C13_48 C10_48 121.8(7) . . ?
O2_48 C13_48 C10_48 119.8(6) . . ?
C19_48 C14_48 C15_48 117.7(6) . . ?
C19_48 C14_48 C3_48 123.9(6) . . ?
C15_48 C14_48 C3_48 118.3(6) . . ?
C16_48 C15_48 C14_48 118.5(6) . . ?
C16_48 C15_48 H15_48 120.7 . . ?
C14_48 C15_48 H15_48 120.7 . . ?
C17_48 C16_48 C15_48 121.9(7) . . ?
C17_48 C16_48 H16_48 119.0 . . ?
C15_48 C16_48 H16_48 119.0 . . ?
C18_48 C17_48 C16_48 118.3(6) . . ?
C18_48 C17_48 C20_48 122.8(7) . . ?
C16_48 C17_48 C20_48 118.9(7) . . ?
C17_48 C18_48 C19_48 121.9(6) . . ?
C17_48 C18_48 H18_48 119.0 . . ?
C19_48 C18_48 H18_48 119.0 . . ?
C18_48 C19_48 C14_48 121.7(6) . . ?
C18_48 C19_48 H19_48 119.2 . . ?
C14_48 C19_48 H19_48 119.2 . . ?
O3_48 C20_48 O4_48 121.6(6) . . ?
O3_48 C20_48 C17_48 119.3(7) . . ?
O4_48 C20_48 C17_48 119.0(7) . . ?
C26_48 C21_48 C22_48 118.6(6) . . ?
C26_48 C21_48 C5_48 120.2(5) . . ?
C22_48 C21_48 C5_48 121.1(6) . . ?
C23_48 C22_48 C21_48 121.3(6) . . ?
C23_48 C22_48 H22_48 119.3 . . ?
C21_48 C22_48 H22_48 119.3 . . ?
C24_48 C23_48 C22_48 121.2(6) . . ?
C24_48 C23_48 H23_48 119.4 . . ?
C22_48 C23_48 H23_48 119.4 . . ?
C23_48 C24_48 C25_48 119.5(6) . . ?
C23_48 C24_48 C27_48 120.7(6) . . ?
C25_48 C24_48 C27_48 119.7(6) . . ?
C26_48 C25_48 C24_48 118.9(6) . . ?
C26_48 C25_48 H25_48 120.6 . . ?
C24_48 C25_48 H25_48 120.6 . . ?
C21_48 C26_48 C25_48 120.4(6) . . ?
C21_48 C26_48 H26_48 119.8 . . ?
C25_48 C26_48 H26_48 119.8 . . ?
O5_48 C27_48 O6_48 124.8(6) . . ?
O5_48 C27_48 C24_48 118.0(6) . . ?
O6_48 C27_48 C24_48 117.2(6) . . ?
C13_48 O2_48 H2A_48 109.5 . . ?
C20_48 O3_48 H3A_48 109.5 . . ?
C27_48 O6_48 H6A_48 109.5 . . ?
C6_49 C1_49 C2_49 116.9(6) . . ?
C6_49 C1_49 C7_49 122.8(5) . . ?
C2_49 C1_49 C7_49 120.3(5) . . ?
C3_49 C2_49 C1_49 122.5(6) . . ?
C3_49 C2_49 H2_49 118.8 . . ?
C1_49 C2_49 H2_49 118.8 . . ?
C2_49 C3_49 C4_49 118.5(5) . . ?
C2_49 C3_49 C14_49 119.4(5) . . ?
C4_49 C3_49 C14_49 122.0(6) . . ?
C5_49 C4_49 C3_49 121.6(6) . . ?
C5_49 C4_49 H4_49 119.2 . . ?
C3_49 C4_49 H4_49 119.2 . . ?
C4_49 C5_49 C6_49 118.1(5) . . ?
C4_49 C5_49 C21_49 122.6(6) . . ?
C6_49 C5_49 C21_49 119.2(5) . . ?
C1_49 C6_49 C5_49 122.2(5) . . ?
C1_49 C6_49 H6_49 118.9 . . ?
C5_49 C6_49 H6_49 118.9 . . ?
C8_49 C7_49 C12_49 119.0(6) . . ?
C8_49 C7_49 C1_49 121.7(5) . . ?
C12_49 C7_49 C1_49 119.3(5) . . ?
C9_49 C8_49 C7_49 121.3(6) . . ?
C9_49 C8_49 H8_49 119.4 . . ?
C7_49 C8_49 H8_49 119.4 . . ?
C8_49 C9_49 C10_49 121.9(6) . . ?
C8_49 C9_49 H9_49 119.0 . . ?
C10_49 C9_49 H9_49 119.0 . . ?
C11_49 C10_49 C9_49 116.1(6) . . ?
C11_49 C10_49 C13_49 121.3(6) . . ?
C9_49 C10_49 C13_49 122.5(5) . . ?
C12_49 C11_49 C10_49 121.8(6) . . ?
C12_49 C11_49 H11_49 119.1 . . ?
C10_49 C11_49 H11_49 119.1 . . ?
C11_49 C12_49 C7_49 119.8(6) . . ?
C11_49 C12_49 H12_49 120.1 . . ?
C7_49 C12_49 H12_49 120.1 . . ?
O2_49 C13_49 O1_49 123.3(6) . . ?
O2_49 C13_49 C10_49 121.4(6) . . ?
O1_49 C13_49 C10_49 115.2(6) . . ?
C19_49 C14_49 C15_49 119.7(6) . . ?
C19_49 C14_49 C3_49 120.5(6) . . ?
C15_49 C14_49 C3_49 119.5(5) . . ?
C16_49 C15_49 C14_49 119.3(5) . . ?
C16_49 C15_49 H15_49 120.3 . . ?
C14_49 C15_49 H15_49 120.3 . . ?
C17_49 C16_49 C15_49 118.6(6) . . ?
C17_49 C16_49 H16_49 120.7 . . ?
C15_49 C16_49 H16_49 120.7 . . ?
C18_49 C17_49 C16_49 121.6(5) . . ?
C18_49 C17_49 C20_49 119.2(6) . . ?
C16_49 C17_49 C20_49 119.2(6) . . ?
C19_49 C18_49 C17_49 118.9(6) . . ?
C19_49 C18_49 H18_49 120.5 . . ?
C17_49 C18_49 H18_49 120.5 . . ?
C14_49 C19_49 C18_49 121.7(6) . . ?
C14_49 C19_49 H19_49 119.2 . . ?
C18_49 C19_49 H19_49 119.2 . . ?
O4_49 C20_49 O3_49 123.3(6) . . ?
O4_49 C20_49 C17_49 119.7(7) . . ?
O3_49 C20_49 C17_49 116.9(6) . . ?
C22_49 C21_49 C26_49 118.4(6) . . ?
C22_49 C21_49 C5_49 122.9(6) . . ?
C26_49 C21_49 C5_49 118.7(6) . . ?
C23_49 C22_49 C21_49 118.7(7) . . ?
C23_49 C22_49 H22_49 120.6 . . ?
C21_49 C22_49 H22_49 120.6 . . ?
C24_49 C23_49 C22_49 121.8(7) . . ?
C24_49 C23_49 H23_49 119.1 . . ?
C22_49 C23_49 H23_49 119.1 . . ?
C25_49 C24_49 C23_49 117.6(6) . . ?
C25_49 C24_49 C27_49 122.4(7) . . ?
C23_49 C24_49 C27_49 119.8(6) . . ?
C26_49 C25_49 C24_49 122.9(7) . . ?
C26_49 C25_49 H25_49 118.5 . . ?
C24_49 C25_49 H25_49 118.5 . . ?
C25_49 C26_49 C21_49 119.7(6) . . ?
C25_49 C26_49 H26_49 120.1 . . ?
C21_49 C26_49 H26_49 120.1 . . ?
O5_49 C27_49 O6_49 122.9(6) . . ?
O5_49 C27_49 C24_49 118.7(7) . . ?
O6_49 C27_49 C24_49 118.4(6) . . ?
C13_49 O1_49 H1A_49 109.5 . . ?
C20_49 O3_49 H3A_49 109.5 . . ?
C27_49 O6_49 H6A_49 109.5 . . ?
C2_50 C1_50 C6_50 119.1(6) . . ?
C2_50 C1_50 C7_50 119.8(5) . . ?
C6_50 C1_50 C7_50 120.9(5) . . ?
C1_50 C2_50 C3_50 119.9(5) . . ?
C1_50 C2_50 H2_50 120.0 . . ?
C3_50 C2_50 H2_50 120.0 . . ?
C4_50 C3_50 C2_50 120.0(5) . . ?
C4_50 C3_50 C14_50 119.0(5) . . ?
C2_50 C3_50 C14_50 120.8(5) . . ?
C3_50 C4_50 C5_50 119.2(6) . . ?
C3_50 C4_50 H4_50 120.4 . . ?
C5_50 C4_50 H4_50 120.4 . . ?
C6_50 C5_50 C4_50 120.5(5) . . ?
C6_50 C5_50 C21_50 120.0(5) . . ?
C4_50 C5_50 C21_50 119.4(5) . . ?
C5_50 C6_50 C1_50 121.0(5) . . ?
C5_50 C6_50 H6_50 119.5 . . ?
C1_50 C6_50 H6_50 119.5 . . ?
C8_50 C7_50 C12_50 119.3(6) . . ?
C8_50 C7_50 C1_50 122.4(5) . . ?
C12_50 C7_50 C1_50 118.2(5) . . ?
C7_50 C8_50 C9_50 123.0(6) . . ?
C7_50 C8_50 H8_50 118.5 . . ?
C9_50 C8_50 H8_50 118.5 . . ?
C8_50 C9_50 C10_50 119.5(6) . . ?
C8_50 C9_50 H9_50 120.3 . . ?
C10_50 C9_50 H9_50 120.3 . . ?
C11_50 C10_50 C9_50 118.1(6) . . ?
C11_50 C10_50 C13_50 124.2(5) . . ?
C9_50 C10_50 C13_50 117.6(5) . . ?
C10_50 C11_50 C12_50 122.5(6) . . ?
C10_50 C11_50 H11_50 118.7 . . ?
C12_50 C11_50 H11_50 118.7 . . ?
C7_50 C12_50 C11_50 117.4(5) . . ?
C7_50 C12_50 H12_50 121.3 . . ?
C11_50 C12_50 H12_50 121.3 . . ?
O1_50 C13_50 O2_50 120.7(6) . . ?
O1_50 C13_50 C10_50 124.7(5) . . ?
O2_50 C13_50 C10_50 114.5(5) . . ?
C19_50 C14_50 C15_50 118.9(5) . . ?
C19_50 C14_50 C3_50 120.2(5) . . ?
C15_50 C14_50 C3_50 121.0(5) . . ?
C16_50 C15_50 C14_50 120.7(6) . . ?
C16_50 C15_50 H15_50 119.7 . . ?
C14_50 C15_50 H15_50 119.7 . . ?
C17_50 C16_50 C15_50 120.4(6) . . ?
C17_50 C16_50 H16_50 119.8 . . ?
C15_50 C16_50 H16_50 119.8 . . ?
C16_50 C17_50 C18_50 120.3(5) . . ?
C16_50 C17_50 C20_50 120.8(6) . . ?
C18_50 C17_50 C20_50 118.7(5) . . ?
C19_50 C18_50 C17_50 118.8(5) . . ?
C19_50 C18_50 H18_50 120.6 . . ?
C17_50 C18_50 H18_50 120.6 . . ?
C18_50 C19_50 C14_50 120.9(6) . . ?
C18_50 C19_50 H19_50 119.6 . . ?
C14_50 C19_50 H19_50 119.6 . . ?
O3_50 C20_50 O4_50 123.0(5) . . ?
O3_50 C20_50 C17_50 116.1(5) . . ?
O4_50 C20_50 C17_50 120.9(6) . . ?
C22_50 C21_50 C26_50 119.9(6) . . ?
C22_50 C21_50 C5_50 119.5(6) . . ?
C26_50 C21_50 C5_50 120.6(5) . . ?
C21_50 C22_50 C23_50 120.2(6) . . ?
C21_50 C22_50 H22_50 119.9 . . ?
C23_50 C22_50 H22_50 119.9 . . ?
C24_50 C23_50 C22_50 120.0(5) . . ?
C24_50 C23_50 H23_50 120.0 . . ?
C22_50 C23_50 H23_50 120.0 . . ?
C23_50 C24_50 C25_50 120.5(6) . . ?
C23_50 C24_50 C27_50 118.1(6) . . ?
C25_50 C24_50 C27_50 121.4(7) . . ?
C24_50 C25_50 C26_50 118.3(6) . . ?
C24_50 C25_50 H25_50 120.8 . . ?
C26_50 C25_50 H25_50 120.8 . . ?
C21_50 C26_50 C25_50 121.0(6) . . ?
C21_50 C26_50 H26_50 119.5 . . ?
C25_50 C26_50 H26_50 119.5 . . ?
O5_50 C27_50 O6_50 124.2(6) . . ?
O5_50 C27_50 C24_50 120.0(7) . . ?
O6_50 C27_50 C24_50 115.8(6) . . ?
C13_50 O2_50 H2A_50 109.5 . . ?
C20_50 O3_50 H3A_50 109.5 . . ?
C27_50 O6_50 H6A_50 109.5 . . ?
C6_51 C1_51 C2_51 118.5(6) . . ?
C6_51 C1_51 C7_51 120.0(5) . . ?
C2_51 C1_51 C7_51 121.5(5) . . ?
C1_51 C2_51 C3_51 122.1(5) . . ?
C1_51 C2_51 H2_51 119.0 . . ?
C3_51 C2_51 H2_51 119.0 . . ?
C2_51 C3_51 C4_51 116.7(5) . . ?
C2_51 C3_51 C14_51 122.0(5) . . ?
C4_51 C3_51 C14_51 121.2(6) . . ?
C5_51 C4_51 C3_51 121.7(6) . . ?
C5_51 C4_51 H4_51 119.1 . . ?
C3_51 C4_51 H4_51 119.1 . . ?
C4_51 C5_51 C6_51 120.6(5) . . ?
C4_51 C5_51 C21_51 120.9(6) . . ?
C6_51 C5_51 C21_51 118.5(5) . . ?
C1_51 C6_51 C5_51 120.3(5) . . ?
C1_51 C6_51 H6_51 119.8 . . ?
C5_51 C6_51 H6_51 119.8 . . ?
C12_51 C7_51 C8_51 117.5(6) . . ?
C12_51 C7_51 C1_51 122.3(5) . . ?
C8_51 C7_51 C1_51 120.2(5) . . ?
C9_51 C8_51 C7_51 120.6(6) . . ?
C9_51 C8_51 H8_51 119.7 . . ?
C7_51 C8_51 H8_51 119.7 . . ?
C8_51 C9_51 C10_51 120.4(6) . . ?
C8_51 C9_51 H9_51 119.8 . . ?
C10_51 C9_51 H9_51 119.8 . . ?
C9_51 C10_51 C11_51 119.7(6) . . ?
C9_51 C10_51 C13_51 121.4(6) . . ?
C11_51 C10_51 C13_51 118.9(5) . . ?
C12_51 C11_51 C10_51 119.4(6) . . ?
C12_51 C11_51 H11_51 120.3 . . ?
C10_51 C11_51 H11_51 120.3 . . ?
C11_51 C12_51 C7_51 122.4(6) . . ?
C11_51 C12_51 H12_51 118.8 . . ?
C7_51 C12_51 H12_51 118.8 . . ?
O2_51 C13_51 O1_51 120.1(6) . . ?
O2_51 C13_51 C10_51 120.6(6) . . ?
O1_51 C13_51 C10_51 119.3(5) . . ?
C15_51 C14_51 C19_51 116.7(5) . . ?
C15_51 C14_51 C3_51 120.5(5) . . ?
C19_51 C14_51 C3_51 122.8(6) . . ?
C16_51 C15_51 C14_51 122.6(5) . . ?
C16_51 C15_51 H15_51 118.7 . . ?
C14_51 C15_51 H15_51 118.7 . . ?
C15_51 C16_51 C17_51 118.3(6) . . ?
C15_51 C16_51 H16_51 120.9 . . ?
C17_51 C16_51 H16_51 120.9 . . ?
C18_51 C17_51 C16_51 120.0(5) . . ?
C18_51 C17_51 C20_51 119.5(5) . . ?
C16_51 C17_51 C20_51 120.4(6) . . ?
C17_51 C18_51 C19_51 120.9(6) . . ?
C17_51 C18_51 H18_51 119.6 . . ?
C19_51 C18_51 H18_51 119.6 . . ?
C18_51 C19_51 C14_51 121.4(6) . . ?
C18_51 C19_51 H19_51 119.3 . . ?
C14_51 C19_51 H19_51 119.3 . . ?
O4_51 C20_51 O3_51 123.8(5) . . ?
O4_51 C20_51 C17_51 120.9(6) . . ?
O3_51 C20_51 C17_51 115.2(6) . . ?
C26_51 C21_51 C22_51 120.3(5) . . ?
C26_51 C21_51 C5_51 122.5(5) . . ?
C22_51 C21_51 C5_51 117.0(5) . . ?
C23_51 C22_51 C21_51 116.4(6) . . ?
C23_51 C22_51 H22_51 121.8 . . ?
C21_51 C22_51 H22_51 121.8 . . ?
C22_51 C23_51 C24_51 121.8(6) . . ?
C22_51 C23_51 H23_51 119.1 . . ?
C24_51 C23_51 H23_51 119.1 . . ?
C25_51 C24_51 C23_51 120.1(6) . . ?
C25_51 C24_51 C27_51 121.9(7) . . ?
C23_51 C24_51 C27_51 118.0(6) . . ?
C24_51 C25_51 C26_51 120.2(6) . . ?
C24_51 C25_51 H25_51 119.9 . . ?
C26_51 C25_51 H25_51 119.9 . . ?
C21_51 C26_51 C25_51 121.1(5) . . ?
C21_51 C26_51 H26_51 119.4 . . ?
C25_51 C26_51 H26_51 119.4 . . ?
O5_51 C27_51 O6_51 124.3(6) . . ?
O5_51 C27_51 C24_51 119.4(7) . . ?
O6_51 C27_51 C24_51 115.7(6) . . ?
C13_51 O2_51 H2A_51 109.5 . . ?
C20_51 O3_51 H3A_51 109.5 . . ?
C27_51 O6_51 H6A_51 109.5 . . ?
C2_52 C1_52 C6_52 120.5(6) . . ?
C2_52 C1_52 C7_52 120.3(5) . . ?
C6_52 C1_52 C7_52 119.2(5) . . ?
C1_52 C2_52 C3_52 121.5(5) . . ?
C1_52 C2_52 H2_52 119.2 . . ?
C3_52 C2_52 H2_52 119.2 . . ?
C2_52 C3_52 C4_52 118.0(5) . . ?
C2_52 C3_52 C14_52 123.4(5) . . ?
C4_52 C3_52 C14_52 118.6(6) . . ?
C5_52 C4_52 C3_52 120.2(6) . . ?
C5_52 C4_52 H4_52 119.9 . . ?
C3_52 C4_52 H4_52 119.9 . . ?
C4_52 C5_52 C6_52 120.6(5) . . ?
C4_52 C5_52 C21_52 121.8(6) . . ?
C6_52 C5_52 C21_52 117.6(5) . . ?
C1_52 C6_52 C5_52 119.1(5) . . ?
C1_52 C6_52 H6_52 120.4 . . ?
C5_52 C6_52 H6_52 120.4 . . ?
C8_52 C7_52 C12_52 117.0(6) . . ?
C8_52 C7_52 C1_52 122.1(5) . . ?
C12_52 C7_52 C1_52 120.9(5) . . ?
C9_52 C8_52 C7_52 120.5(6) . . ?
C9_52 C8_52 H8_52 119.7 . . ?
C7_52 C8_52 H8_52 119.7 . . ?
C8_52 C9_52 C10_52 119.3(6) . . ?
C8_52 C9_52 H9_52 120.3 . . ?
C10_52 C9_52 H9_52 120.3 . . ?
C11_52 C10_52 C9_52 120.6(6) . . ?
C11_52 C10_52 C13_52 120.6(6) . . ?
C9_52 C10_52 C13_52 118.7(6) . . ?
C10_52 C11_52 C12_52 120.1(6) . . ?
C10_52 C11_52 H11_52 120.0 . . ?
C12_52 C11_52 H11_52 120.0 . . ?
C11_52 C12_52 C7_52 122.4(6) . . ?
C11_52 C12_52 H12_52 118.8 . . ?
C7_52 C12_52 H12_52 118.8 . . ?
O2_52 C13_52 O1_52 120.4(7) . . ?
O2_52 C13_52 C10_52 118.6(6) . . ?
O1_52 C13_52 C10_52 121.0(6) . . ?
C15_52 C14_52 C19_52 118.4(6) . . ?
C15_52 C14_52 C3_52 122.7(5) . . ?
C19_52 C14_52 C3_52 118.8(6) . . ?
C14_52 C15_52 C16_52 120.2(6) . . ?
C14_52 C15_52 H15_52 119.9 . . ?
C16_52 C15_52 H15_52 119.9 . . ?
C17_52 C16_52 C15_52 120.5(6) . . ?
C17_52 C16_52 H16_52 119.7 . . ?
C15_52 C16_52 H16_52 119.7 . . ?
C16_52 C17_52 C18_52 119.1(6) . . ?
C16_52 C17_52 C20_52 120.6(7) . . ?
C18_52 C17_52 C20_52 120.2(6) . . ?
C19_52 C18_52 C17_52 120.9(6) . . ?
C19_52 C18_52 H18_52 119.6 . . ?
C17_52 C18_52 H18_52 119.6 . . ?
C18_52 C19_52 C14_52 120.8(7) . . ?
C18_52 C19_52 H19_52 119.6 . . ?
C14_52 C19_52 H19_52 119.6 . . ?
O3_52 C20_52 O4_52 127.4(6) . . ?
O3_52 C20_52 C17_52 115.7(6) . . ?
O4_52 C20_52 C17_52 116.8(7) . . ?
C26_52 C21_52 C22_52 118.3(6) . . ?
C26_52 C21_52 C5_52 121.6(5) . . ?
C22_52 C21_52 C5_52 120.1(6) . . ?
C23_52 C22_52 C21_52 120.4(6) . . ?
C23_52 C22_52 H22_52 119.8 . . ?
C21_52 C22_52 H22_52 119.8 . . ?
C24_52 C23_52 C22_52 121.6(6) . . ?
C24_52 C23_52 H23_52 119.2 . . ?
C22_52 C23_52 H23_52 119.2 . . ?
C23_52 C24_52 C25_52 119.1(6) . . ?
C23_52 C24_52 C27_52 120.2(5) . . ?
C25_52 C24_52 C27_52 120.6(6) . . ?
C24_52 C25_52 C26_52 119.0(6) . . ?
C24_52 C25_52 H25_52 120.5 . . ?
C26_52 C25_52 H25_52 120.5 . . ?
C21_52 C26_52 C25_52 121.6(6) . . ?
C21_52 C26_52 H26_52 119.2 . . ?
C25_52 C26_52 H26_52 119.2 . . ?
O5_52 C27_52 O6_52 122.8(6) . . ?
O5_52 C27_52 C24_52 121.5(7) . . ?
O6_52 C27_52 C24_52 115.6(6) . . ?
C13_52 O2_52 H2A_52 109.5 . . ?
C20_52 O3_52 H3A_52 109.5 . . ?
C27_52 O6_52 H6A_52 109.5 . . ?
C6_53 C1_53 C2_53 117.5(6) . . ?
C6_53 C1_53 C7_53 121.9(5) . . ?
C2_53 C1_53 C7_53 120.5(5) . . ?
C1_53 C2_53 C3_53 121.9(5) . . ?
C1_53 C2_53 H2_53 119.1 . . ?
C3_53 C2_53 H2_53 119.1 . . ?
C2_53 C3_53 C4_53 118.9(6) . . ?
C2_53 C3_53 C14_53 120.4(5) . . ?
C4_53 C3_53 C14_53 120.6(6) . . ?
C5_53 C4_53 C3_53 119.3(6) . . ?
C5_53 C4_53 H4_53 120.3 . . ?
C3_53 C4_53 H4_53 120.3 . . ?
C6_53 C5_53 C4_53 119.2(6) . . ?
C6_53 C5_53 C21_53 122.0(5) . . ?
C4_53 C5_53 C21_53 118.7(6) . . ?
C5_53 C6_53 C1_53 122.9(6) . . ?
C5_53 C6_53 H6_53 118.6 . . ?
C1_53 C6_53 H6_53 118.6 . . ?
C8_53 C7_53 C12_53 116.4(6) . . ?
C8_53 C7_53 C1_53 121.7(5) . . ?
C12_53 C7_53 C1_53 121.9(5) . . ?
C9_53 C8_53 C7_53 123.8(6) . . ?
C9_53 C8_53 H8_53 118.1 . . ?
C7_53 C8_53 H8_53 118.1 . . ?
C8_53 C9_53 C10_53 118.2(6) . . ?
C8_53 C9_53 H9_53 120.9 . . ?
C10_53 C9_53 H9_53 120.9 . . ?
C11_53 C10_53 C9_53 120.1(6) . . ?
C11_53 C10_53 C13_53 119.7(6) . . ?
C9_53 C10_53 C13_53 120.1(6) . . ?
C10_53 C11_53 C12_53 119.5(6) . . ?
C10_53 C11_53 H11_53 120.3 . . ?
C12_53 C11_53 H11_53 120.3 . . ?
C11_53 C12_53 C7_53 121.8(6) . . ?
C11_53 C12_53 H12_53 119.1 . . ?
C7_53 C12_53 H12_53 119.1 . . ?
O1_53 C13_53 O2_53 125.4(6) . . ?
O1_53 C13_53 C10_53 119.2(5) . . ?
O2_53 C13_53 C10_53 115.4(6) . . ?
C15_53 C14_53 C19_53 121.2(6) . . ?
C15_53 C14_53 C3_53 120.4(5) . . ?
C19_53 C14_53 C3_53 118.1(6) . . ?
C14_53 C15_53 C16_53 119.7(6) . . ?
C14_53 C15_53 H15_53 120.1 . . ?
C16_53 C15_53 H15_53 120.1 . . ?
C17_53 C16_53 C15_53 118.9(6) . . ?
C17_53 C16_53 H16_53 120.6 . . ?
C15_53 C16_53 H16_53 120.6 . . ?
C16_53 C17_53 C18_53 122.1(6) . . ?
C16_53 C17_53 C20_53 121.2(7) . . ?
C18_53 C17_53 C20_53 116.7(6) . . ?
C19_53 C18_53 C17_53 118.3(6) . . ?
C19_53 C18_53 H18_53 120.9 . . ?
C17_53 C18_53 H18_53 120.9 . . ?
C18_53 C19_53 C14_53 119.7(7) . . ?
C18_53 C19_53 H19_53 120.1 . . ?
C14_53 C19_53 H19_53 120.1 . . ?
O3_53 C20_53 O4_53 122.6(6) . . ?
O3_53 C20_53 C17_53 117.4(6) . . ?
O4_53 C20_53 C17_53 120.0(7) . . ?
C26_53 C21_53 C22_53 118.8(6) . . ?
C26_53 C21_53 C5_53 122.1(6) . . ?
C22_53 C21_53 C5_53 119.1(6) . . ?
C23_53 C22_53 C21_53 120.6(6) . . ?
C23_53 C22_53 H22_53 119.7 . . ?
C21_53 C22_53 H22_53 119.7 . . ?
C22_53 C23_53 C24_53 120.1(6) . . ?
C22_53 C23_53 H23_53 120.0 . . ?
C24_53 C23_53 H23_53 120.0 . . ?
C25_53 C24_53 C23_53 118.4(6) . . ?
C25_53 C24_53 C27_53 121.8(7) . . ?
C23_53 C24_53 C27_53 119.8(6) . . ?
C24_53 C25_53 C26_53 122.9(6) . . ?
C24_53 C25_53 H25_53 118.5 . . ?
C26_53 C25_53 H25_53 118.5 . . ?
C21_53 C26_53 C25_53 119.1(6) . . ?
C21_53 C26_53 H26_53 120.5 . . ?
C25_53 C26_53 H26_53 120.5 . . ?
O6_53 C27_53 O5_53 122.6(7) . . ?
O6_53 C27_53 C24_53 117.2(7) . . ?
O5_53 C27_53 C24_53 120.1(7) . . ?
C13_53 O2_53 H2A_53 109.5 . . ?
C20_53 O3_53 H3A_53 109.5 . . ?
C27_53 O6_53 H6A_53 109.5 . . ?
C6_54 C1_54 C2_54 117.6(5) . . ?
C6_54 C1_54 C7_54 121.1(5) . . ?
C2_54 C1_54 C7_54 121.3(5) . . ?
C3_54 C2_54 C1_54 121.5(5) . . ?
C3_54 C2_54 H2_54 119.3 . . ?
C1_54 C2_54 H2_54 119.3 . . ?
C4_54 C3_54 C2_54 120.0(5) . . ?
C4_54 C3_54 C14_54 119.8(6) . . ?
C2_54 C3_54 C14_54 120.1(5) . . ?
C3_54 C4_54 C5_54 119.3(6) . . ?
C3_54 C4_54 H4_54 120.3 . . ?
C5_54 C4_54 H4_54 120.3 . . ?
C6_54 C5_54 C4_54 117.6(5) . . ?
C6_54 C5_54 C21_54 123.6(5) . . ?
C4_54 C5_54 C21_54 118.8(5) . . ?
C1_54 C6_54 C5_54 123.9(5) . . ?
C1_54 C6_54 H6_54 118.1 . . ?
C5_54 C6_54 H6_54 118.1 . . ?
C12_54 C7_54 C8_54 116.1(6) . . ?
C12_54 C7_54 C1_54 123.5(5) . . ?
C8_54 C7_54 C1_54 120.4(5) . . ?
C9_54 C8_54 C7_54 121.0(6) . . ?
C9_54 C8_54 H8_54 119.5 . . ?
C7_54 C8_54 H8_54 119.5 . . ?
C8_54 C9_54 C10_54 120.1(6) . . ?
C8_54 C9_54 H9_54 120.0 . . ?
C10_54 C9_54 H9_54 120.0 . . ?
C9_54 C10_54 C11_54 119.7(6) . . ?
C9_54 C10_54 C13_54 119.5(6) . . ?
C11_54 C10_54 C13_54 120.8(6) . . ?
C12_54 C11_54 C10_54 117.9(6) . . ?
C12_54 C11_54 H11_54 121.1 . . ?
C10_54 C11_54 H11_54 121.1 . . ?
C11_54 C12_54 C7_54 125.2(6) . . ?
C11_54 C12_54 H12_54 117.4 . . ?
C7_54 C12_54 H12_54 117.4 . . ?
O1_54 C13_54 O2_54 126.2(7) . . ?
O1_54 C13_54 C10_54 117.3(6) . . ?
O2_54 C13_54 C10_54 116.3(7) . . ?
C15_54 C14_54 C19_54 118.2(5) . . ?
C15_54 C14_54 C3_54 122.4(5) . . ?
C19_54 C14_54 C3_54 119.4(6) . . ?
C16_54 C15_54 C14_54 121.4(6) . . ?
C16_54 C15_54 H15_54 119.3 . . ?
C14_54 C15_54 H15_54 119.3 . . ?
C15_54 C16_54 C17_54 121.7(6) . . ?
C15_54 C16_54 H16_54 119.2 . . ?
C17_54 C16_54 H16_54 119.2 . . ?
C16_54 C17_54 C18_54 118.4(5) . . ?
C16_54 C17_54 C20_54 122.0(6) . . ?
C18_54 C17_54 C20_54 119.6(6) . . ?
C17_54 C18_54 C19_54 120.8(6) . . ?
C17_54 C18_54 H18_54 119.6 . . ?
C19_54 C18_54 H18_54 119.6 . . ?
C18_54 C19_54 C14_54 119.4(6) . . ?
C18_54 C19_54 H19_54 120.3 . . ?
C14_54 C19_54 H19_54 120.3 . . ?
O4_54 C20_54 O3_54 123.8(6) . . ?
O4_54 C20_54 C17_54 119.0(6) . . ?
O3_54 C20_54 C17_54 117.1(6) . . ?
C22_54 C21_54 C26_54 119.6(6) . . ?
C22_54 C21_54 C5_54 118.7(6) . . ?
C26_54 C21_54 C5_54 121.7(5) . . ?
C21_54 C22_54 C23_54 119.5(6) . . ?
C21_54 C22_54 H22_54 120.3 . . ?
C23_54 C22_54 H22_54 120.3 . . ?
C24_54 C23_54 C22_54 120.1(5) . . ?
C24_54 C23_54 H23_54 119.9 . . ?
C22_54 C23_54 H23_54 119.9 . . ?
C25_54 C24_54 C23_54 120.1(5) . . ?
C25_54 C24_54 C27_54 120.6(6) . . ?
C23_54 C24_54 C27_54 119.3(5) . . ?
C26_54 C25_54 C24_54 119.6(6) . . ?
C26_54 C25_54 H25_54 120.2 . . ?
C24_54 C25_54 H25_54 120.2 . . ?
C25_54 C26_54 C21_54 121.0(6) . . ?
C25_54 C26_54 H26_54 119.5 . . ?
C21_54 C26_54 H26_54 119.5 . . ?
O5_54 C27_54 O6_54 123.4(6) . . ?
O5_54 C27_54 C24_54 120.7(6) . . ?
O6_54 C27_54 C24_54 115.9(6) . . ?
C13_54 O2_54 H2A_54 109.5 . . ?
C20_54 O3_54 H3A_54 109.5 . . ?
C27_54 O6_54 H6A_54 109.5 . . ?
C6_55 C1_55 C2_55 116.7(6) . . ?
C6_55 C1_55 C7_55 121.2(5) . . ?
C2_55 C1_55 C7_55 122.0(5) . . ?
C3_55 C2_55 C1_55 122.9(5) . . ?
C3_55 C2_55 H2_55 118.5 . . ?
C1_55 C2_55 H2_55 118.5 . . ?
C2_55 C3_55 C4_55 119.4(5) . . ?
C2_55 C3_55 C14_55 122.3(5) . . ?
C4_55 C3_55 C14_55 118.2(5) . . ?
C5_55 C4_55 C3_55 121.4(6) . . ?
C5_55 C4_55 H4_55 119.3 . . ?
C3_55 C4_55 H4_55 119.3 . . ?
C4_55 C5_55 C6_55 117.6(5) . . ?
C4_55 C5_55 C21_55 121.6(5) . . ?
C6_55 C5_55 C21_55 120.4(5) . . ?
C1_55 C6_55 C5_55 121.9(5) . . ?
C1_55 C6_55 H6_55 119.1 . . ?
C5_55 C6_55 H6_55 119.1 . . ?
C12_55 C7_55 C8_55 117.3(6) . . ?
C12_55 C7_55 C1_55 123.1(5) . . ?
C8_55 C7_55 C1_55 119.5(5) . . ?
C9_55 C8_55 C7_55 120.9(6) . . ?
C9_55 C8_55 H8_55 119.6 . . ?
C7_55 C8_55 H8_55 119.6 . . ?
C8_55 C9_55 C10_55 120.7(6) . . ?
C8_55 C9_55 H9_55 119.6 . . ?
C10_55 C9_55 H9_55 119.6 . . ?
C11_55 C10_55 C13_55 121.1(6) . . ?
C11_55 C10_55 C9_55 117.0(6) . . ?
C13_55 C10_55 C9_55 121.4(6) . . ?
C12_55 C11_55 C10_55 121.5(6) . . ?
C12_55 C11_55 H11_55 119.3 . . ?
C10_55 C11_55 H11_55 119.3 . . ?
C11_55 C12_55 C7_55 122.5(6) . . ?
C11_55 C12_55 H12_55 118.8 . . ?
C7_55 C12_55 H12_55 118.8 . . ?
O2_55 C13_55 O1_55 120.2(6) . . ?
O2_55 C13_55 C10_55 123.4(6) . . ?
O1_55 C13_55 C10_55 116.3(6) . . ?
C15_55 C14_55 C19_55 121.3(5) . . ?
C15_55 C14_55 C3_55 120.9(5) . . ?
C19_55 C14_55 C3_55 117.7(5) . . ?
C14_55 C15_55 C16_55 121.2(5) . . ?
C14_55 C15_55 H15_55 119.4 . . ?
C16_55 C15_55 H15_55 119.4 . . ?
C15_55 C16_55 C17_55 117.7(6) . . ?
C15_55 C16_55 H16_55 121.1 . . ?
C17_55 C16_55 H16_55 121.1 . . ?
C18_55 C17_55 C16_55 122.0(5) . . ?
C18_55 C17_55 C20_55 119.2(6) . . ?
C16_55 C17_55 C20_55 118.8(6) . . ?
C17_55 C18_55 C19_55 119.8(5) . . ?
C17_55 C18_55 H18_55 120.1 . . ?
C19_55 C18_55 H18_55 120.1 . . ?
C18_55 C19_55 C14_55 117.9(6) . . ?
C18_55 C19_55 H19_55 121.0 . . ?
C14_55 C19_55 H19_55 121.0 . . ?
O4_55 C20_55 O3_55 122.7(6) . . ?
O4_55 C20_55 C17_55 119.1(7) . . ?
O3_55 C20_55 C17_55 118.2(6) . . ?
C26_55 C21_55 C22_55 119.9(6) . . ?
C26_55 C21_55 C5_55 118.8(5) . . ?
C22_55 C21_55 C5_55 121.1(6) . . ?
C23_55 C22_55 C21_55 119.5(6) . . ?
C23_55 C22_55 H22_55 120.2 . . ?
C21_55 C22_55 H22_55 120.2 . . ?
C22_55 C23_55 C24_55 121.1(5) . . ?
C22_55 C23_55 H23_55 119.5 . . ?
C24_55 C23_55 H23_55 119.5 . . ?
C25_55 C24_55 C23_55 118.1(5) . . ?
C25_55 C24_55 C27_55 123.4(6) . . ?
C23_55 C24_55 C27_55 118.4(5) . . ?
C24_55 C25_55 C26_55 119.9(6) . . ?
C24_55 C25_55 H25_55 120.1 . . ?
C26_55 C25_55 H25_55 120.1 . . ?
C21_55 C26_55 C25_55 121.3(6) . . ?
C21_55 C26_55 H26_55 119.4 . . ?
C25_55 C26_55 H26_55 119.4 . . ?
O5_55 C27_55 O6_55 120.1(5) . . ?
O5_55 C27_55 C24_55 124.2(6) . . ?
O6_55 C27_55 C24_55 115.8(5) . . ?
C13_55 O1_55 H1A_55 109.5 . . ?
C20_55 O3_55 H3A_55 109.5 . . ?
C27_55 O6_55 H6A_55 109.5 . . ?
C2_56 C1_56 C6_56 117.9(6) . . ?
C2_56 C1_56 C7_56 121.7(5) . . ?
C6_56 C1_56 C7_56 120.4(5) . . ?
C1_56 C2_56 C3_56 122.0(5) . . ?
C1_56 C2_56 H2_56 119.0 . . ?
C3_56 C2_56 H2_56 119.0 . . ?
C4_56 C3_56 C2_56 117.7(5) . . ?
C4_56 C3_56 C14_56 121.1(5) . . ?
C2_56 C3_56 C14_56 121.3(5) . . ?
C5_56 C4_56 C3_56 121.8(6) . . ?
C5_56 C4_56 H4_56 119.1 . . ?
C3_56 C4_56 H4_56 119.1 . . ?
C6_56 C5_56 C4_56 118.1(5) . . ?
C6_56 C5_56 C21_56 121.5(5) . . ?
C4_56 C5_56 C21_56 120.2(6) . . ?
C5_56 C6_56 C1_56 122.4(5) . . ?
C5_56 C6_56 H6_56 118.8 . . ?
C1_56 C6_56 H6_56 118.8 . . ?
C8_56 C7_56 C12_56 119.3(5) . . ?
C8_56 C7_56 C1_56 118.6(5) . . ?
C12_56 C7_56 C1_56 122.1(5) . . ?
C7_56 C8_56 C9_56 119.1(5) . . ?
C7_56 C8_56 H8_56 120.5 . . ?
C9_56 C8_56 H8_56 120.5 . . ?
C8_56 C9_56 C10_56 118.9(5) . . ?
C8_56 C9_56 H9_56 120.5 . . ?
C10_56 C9_56 H9_56 120.5 . . ?
C11_56 C10_56 C9_56 120.1(6) . . ?
C11_56 C10_56 C13_56 122.8(5) . . ?
C9_56 C10_56 C13_56 117.0(5) . . ?
C12_56 C11_56 C10_56 121.1(5) . . ?
C12_56 C11_56 H11_56 119.5 . . ?
C10_56 C11_56 H11_56 119.5 . . ?
C11_56 C12_56 C7_56 121.4(5) . . ?
C11_56 C12_56 H12_56 119.3 . . ?
C7_56 C12_56 H12_56 119.3 . . ?
O1_56 C13_56 O2_56 125.2(6) . . ?
O1_56 C13_56 C10_56 118.2(5) . . ?
O2_56 C13_56 C10_56 116.6(5) . . ?
C15_56 C14_56 C19_56 117.3(5) . . ?
C15_56 C14_56 C3_56 121.8(5) . . ?
C19_56 C14_56 C3_56 120.9(6) . . ?
C14_56 C15_56 C16_56 123.0(6) . . ?
C14_56 C15_56 H15_56 118.5 . . ?
C16_56 C15_56 H15_56 118.5 . . ?
C15_56 C16_56 C17_56 117.7(6) . . ?
C15_56 C16_56 H16_56 121.1 . . ?
C17_56 C16_56 H16_56 121.1 . . ?
C18_56 C17_56 C16_56 120.3(6) . . ?
C18_56 C17_56 C20_56 122.4(6) . . ?
C16_56 C17_56 C20_56 117.3(6) . . ?
C17_56 C18_56 C19_56 121.4(5) . . ?
C17_56 C18_56 H18_56 119.3 . . ?
C19_56 C18_56 H18_56 119.3 . . ?
C18_56 C19_56 C14_56 120.2(6) . . ?
C18_56 C19_56 H19_56 119.9 . . ?
C14_56 C19_56 H19_56 119.9 . . ?
O3_56 C20_56 O4_56 124.0(6) . . ?
O3_56 C20_56 C17_56 119.5(6) . . ?
O4_56 C20_56 C17_56 116.3(7) . . ?
C22_56 C21_56 C26_56 117.4(5) . . ?
C22_56 C21_56 C5_56 121.6(6) . . ?
C26_56 C21_56 C5_56 120.8(5) . . ?
C23_56 C22_56 C21_56 120.0(6) . . ?
C23_56 C22_56 H22_56 120.0 . . ?
C21_56 C22_56 H22_56 120.0 . . ?
C24_56 C23_56 C22_56 122.5(6) . . ?
C24_56 C23_56 H23_56 118.8 . . ?
C22_56 C23_56 H23_56 118.8 . . ?
C23_56 C24_56 C25_56 120.0(6) . . ?
C23_56 C24_56 C27_56 121.6(6) . . ?
C25_56 C24_56 C27_56 118.3(6) . . ?
C26_56 C25_56 C24_56 118.7(6) . . ?
C26_56 C25_56 H25_56 120.6 . . ?
C24_56 C25_56 H25_56 120.6 . . ?
C25_56 C26_56 C21_56 121.1(6) . . ?
C25_56 C26_56 H26_56 119.4 . . ?
C21_56 C26_56 H26_56 119.4 . . ?
O5_56 C27_56 O6_56 121.1(5) . . ?
O5_56 C27_56 C24_56 119.0(6) . . ?
O6_56 C27_56 C24_56 119.9(6) . . ?
C13_56 O2_56 H2A_56 109.5 . . ?
C20_56 O3_56 H3A_56 109.5 . . ?
C27_56 O6_56 H6A_56 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6_1 C1_1 C2_1 C3_1 -3.0(9) . . . . ?
C7_1 C1_1 C2_1 C3_1 179.3(5) . . . . ?
C1_1 C2_1 C3_1 C4_1 1.3(9) . . . . ?
C1_1 C2_1 C3_1 C14_1 -179.3(5) . . . . ?
C2_1 C3_1 C4_1 C5_1 -0.1(8) . . . . ?
C14_1 C3_1 C4_1 C5_1 -179.6(5) . . . . ?
C3_1 C4_1 C5_1 C6_1 0.7(8) . . . . ?
C3_1 C4_1 C5_1 C21_1 176.7(5) . . . . ?
C4_1 C5_1 C6_1 C1_1 -2.4(8) . . . . ?
C21_1 C5_1 C6_1 C1_1 -178.4(5) . . . . ?
C2_1 C1_1 C6_1 C5_1 3.5(9) . . . . ?
C7_1 C1_1 C6_1 C5_1 -178.8(5) . . . . ?
C2_1 C1_1 C7_1 C12_1 -157.2(6) . . . . ?
C6_1 C1_1 C7_1 C12_1 25.2(8) . . . . ?
C2_1 C1_1 C7_1 C8_1 22.5(8) . . . . ?
C6_1 C1_1 C7_1 C8_1 -155.2(6) . . . . ?
C12_1 C7_1 C8_1 C9_1 0.3(8) . . . . ?
C1_1 C7_1 C8_1 C9_1 -179.4(5) . . . . ?
C7_1 C8_1 C9_1 C10_1 -0.4(9) . . . . ?
C8_1 C9_1 C10_1 C11_1 0.4(8) . . . . ?
C8_1 C9_1 C10_1 C13_1 179.1(5) . . . . ?
C9_1 C10_1 C11_1 C12_1 -0.3(9) . . . . ?
C13_1 C10_1 C11_1 C12_1 -178.9(5) . . . . ?
C10_1 C11_1 C12_1 C7_1 0.2(9) . . . . ?
C8_1 C7_1 C12_1 C11_1 -0.1(8) . . . . ?
C1_1 C7_1 C12_1 C11_1 179.5(5) . . . . ?
C11_1 C10_1 C13_1 O1_1 -177.9(5) . . . . ?
C9_1 C10_1 C13_1 O1_1 3.5(8) . . . . ?
C11_1 C10_1 C13_1 O2_1 -1.4(8) . . . . ?
C9_1 C10_1 C13_1 O2_1 180.0(5) . . . . ?
C4_1 C3_1 C14_1 C15_1 -40.9(8) . . . . ?
C2_1 C3_1 C14_1 C15_1 139.7(6) . . . . ?
C4_1 C3_1 C14_1 C19_1 139.3(6) . . . . ?
C2_1 C3_1 C14_1 C19_1 -40.1(8) . . . . ?
C19_1 C14_1 C15_1 C16_1 -1.6(9) . . . . ?
C3_1 C14_1 C15_1 C16_1 178.6(5) . . . . ?
C14_1 C15_1 C16_1 C17_1 1.3(10) . . . . ?
C15_1 C16_1 C17_1 C18_1 -2.4(10) . . . . ?
C15_1 C16_1 C17_1 C20_1 -176.8(6) . . . . ?
C16_1 C17_1 C18_1 C19_1 3.7(10) . . . . ?
C20_1 C17_1 C18_1 C19_1 178.4(6) . . . . ?
C15_1 C14_1 C19_1 C18_1 2.8(9) . . . . ?
C3_1 C14_1 C19_1 C18_1 -177.4(5) . . . . ?
C17_1 C18_1 C19_1 C14_1 -3.8(9) . . . . ?
C16_1 C17_1 C20_1 O4_1 169.8(6) . . . . ?
C18_1 C17_1 C20_1 O4_1 -4.8(9) . . . . ?
C16_1 C17_1 C20_1 O3_1 -9.8(10) . . . . ?
C18_1 C17_1 C20_1 O3_1 175.5(6) . . . . ?
C6_1 C5_1 C21_1 C22_1 34.2(8) . . . . ?
C4_1 C5_1 C21_1 C22_1 -141.8(6) . . . . ?
C6_1 C5_1 C21_1 C26_1 -145.8(6) . . . . ?
C4_1 C5_1 C21_1 C26_1 38.3(8) . . . . ?
C26_1 C21_1 C22_1 C23_1 -1.3(9) . . . . ?
C5_1 C21_1 C22_1 C23_1 178.8(5) . . . . ?
C21_1 C22_1 C23_1 C24_1 0.4(9) . . . . ?
C22_1 C23_1 C24_1 C25_1 -0.1(9) . . . . ?
C22_1 C23_1 C24_1 C27_1 -179.5(5) . . . . ?
C27_1 C24_1 C25_1 C26_1 -179.9(6) . . . . ?
C23_1 C24_1 C25_1 C26_1 0.8(9) . . . . ?
C24_1 C25_1 C26_1 C21_1 -1.7(10) . . . . ?
C22_1 C21_1 C26_1 C25_1 1.8(9) . . . . ?
C5_1 C21_1 C26_1 C25_1 -178.2(5) . . . . ?
C25_1 C24_1 C27_1 O5_1 -170.9(6) . . . . ?
C23_1 C24_1 C27_1 O5_1 8.4(9) . . . . ?
C25_1 C24_1 C27_1 O6_1 6.7(9) . . . . ?
C23_1 C24_1 C27_1 O6_1 -174.0(6) . . . . ?
C6_2 C1_2 C2_2 C3_2 -2.2(9) . . . . ?
C7_2 C1_2 C2_2 C3_2 179.0(6) . . . . ?
C1_2 C2_2 C3_2 C4_2 -0.5(9) . . . . ?
C1_2 C2_2 C3_2 C14_2 -177.6(6) . . . . ?
C2_2 C3_2 C4_2 C5_2 3.2(9) . . . . ?
C14_2 C3_2 C4_2 C5_2 -179.7(6) . . . . ?
C3_2 C4_2 C5_2 C6_2 -2.9(9) . . . . ?
C3_2 C4_2 C5_2 C21_2 176.9(6) . . . . ?
C4_2 C5_2 C6_2 C1_2 0.0(9) . . . . ?
C21_2 C5_2 C6_2 C1_2 -179.9(5) . . . . ?
C2_2 C1_2 C6_2 C5_2 2.6(8) . . . . ?
C7_2 C1_2 C6_2 C5_2 -178.6(5) . . . . ?
C2_2 C1_2 C7_2 C12_2 -159.0(6) . . . . ?
C6_2 C1_2 C7_2 C12_2 22.3(9) . . . . ?
C2_2 C1_2 C7_2 C8_2 20.7(9) . . . . ?
C6_2 C1_2 C7_2 C8_2 -158.0(5) . . . . ?
C12_2 C7_2 C8_2 C9_2 1.0(9) . . . . ?
C1_2 C7_2 C8_2 C9_2 -178.7(6) . . . . ?
C7_2 C8_2 C9_2 C10_2 0.3(9) . . . . ?
C8_2 C9_2 C10_2 C11_2 -0.7(9) . . . . ?
C8_2 C9_2 C10_2 C13_2 178.2(5) . . . . ?
C9_2 C10_2 C11_2 C12_2 -0.2(9) . . . . ?
C13_2 C10_2 C11_2 C12_2 -179.1(5) . . . . ?
C8_2 C7_2 C12_2 C11_2 -2.0(9) . . . . ?
C1_2 C7_2 C12_2 C11_2 177.7(6) . . . . ?
C10_2 C11_2 C12_2 C7_2 1.6(9) . . . . ?
C11_2 C10_2 C13_2 O2_2 -0.2(9) . . . . ?
C9_2 C10_2 C13_2 O2_2 -179.1(6) . . . . ?
C11_2 C10_2 C13_2 O1_2 177.7(6) . . . . ?
C9_2 C10_2 C13_2 O1_2 -1.2(8) . . . . ?
C2_2 C3_2 C14_2 C15_2 145.5(6) . . . . ?
C4_2 C3_2 C14_2 C15_2 -31.5(9) . . . . ?
C2_2 C3_2 C14_2 C19_2 -41.9(9) . . . . ?
C4_2 C3_2 C14_2 C19_2 141.0(6) . . . . ?
C19_2 C14_2 C15_2 C16_2 4.6(9) . . . . ?
C3_2 C14_2 C15_2 C16_2 177.0(6) . . . . ?
C14_2 C15_2 C16_2 C17_2 -4.5(9) . . . . ?
C15_2 C16_2 C17_2 C18_2 5.2(10) . . . . ?
C15_2 C16_2 C17_2 C20_2 -180.0(6) . . . . ?
C16_2 C17_2 C18_2 C19_2 -5.9(10) . . . . ?
C20_2 C17_2 C18_2 C19_2 179.3(6) . . . . ?
C17_2 C18_2 C19_2 C14_2 5.9(10) . . . . ?
C15_2 C14_2 C19_2 C18_2 -5.2(9) . . . . ?
C3_2 C14_2 C19_2 C18_2 -177.9(5) . . . . ?
C18_2 C17_2 C20_2 O4_2 -8.9(10) . . . . ?
C16_2 C17_2 C20_2 O4_2 176.3(6) . . . . ?
C18_2 C17_2 C20_2 O3_2 174.6(6) . . . . ?
C16_2 C17_2 C20_2 O3_2 -0.2(9) . . . . ?
C6_2 C5_2 C21_2 C22_2 32.8(9) . . . . ?
C4_2 C5_2 C21_2 C22_2 -147.1(6) . . . . ?
C6_2 C5_2 C21_2 C26_2 -146.4(6) . . . . ?
C4_2 C5_2 C21_2 C26_2 33.7(8) . . . . ?
C26_2 C21_2 C22_2 C23_2 -3.7(9) . . . . ?
C5_2 C21_2 C22_2 C23_2 177.1(5) . . . . ?
C21_2 C22_2 C23_2 C24_2 6.5(9) . . . . ?
C22_2 C23_2 C24_2 C25_2 -5.1(9) . . . . ?
C22_2 C23_2 C24_2 C27_2 179.6(5) . . . . ?
C23_2 C24_2 C25_2 C26_2 1.2(9) . . . . ?
C27_2 C24_2 C25_2 C26_2 176.6(5) . . . . ?
C24_2 C25_2 C26_2 C21_2 1.8(10) . . . . ?
C22_2 C21_2 C26_2 C25_2 -0.7(9) . . . . ?
C5_2 C21_2 C26_2 C25_2 178.6(6) . . . . ?
C23_2 C24_2 C27_2 O5_2 1.0(8) . . . . ?
C25_2 C24_2 C27_2 O5_2 -174.5(6) . . . . ?
C23_2 C24_2 C27_2 O6_2 -177.4(5) . . . . ?
C25_2 C24_2 C27_2 O6_2 7.1(8) . . . . ?
C6_3 C1_3 C2_3 C3_3 0.5(9) . . . . ?
C7_3 C1_3 C2_3 C3_3 -179.3(6) . . . . ?
C1_3 C2_3 C3_3 C4_3 -3.1(9) . . . . ?
C1_3 C2_3 C3_3 C14_3 178.8(6) . . . . ?
C2_3 C3_3 C4_3 C5_3 3.1(9) . . . . ?
C14_3 C3_3 C4_3 C5_3 -178.8(5) . . . . ?
C3_3 C4_3 C5_3 C6_3 -0.5(9) . . . . ?
C3_3 C4_3 C5_3 C21_3 179.4(6) . . . . ?
C4_3 C5_3 C6_3 C1_3 -2.2(9) . . . . ?
C21_3 C5_3 C6_3 C1_3 177.9(5) . . . . ?
C2_3 C1_3 C6_3 C5_3 2.2(9) . . . . ?
C7_3 C1_3 C6_3 C5_3 -177.9(6) . . . . ?
C2_3 C1_3 C7_3 C12_3 -156.6(6) . . . . ?
C6_3 C1_3 C7_3 C12_3 23.6(9) . . . . ?
C2_3 C1_3 C7_3 C8_3 25.2(9) . . . . ?
C6_3 C1_3 C7_3 C8_3 -154.6(6) . . . . ?
C12_3 C7_3 C8_3 C9_3 5.0(9) . . . . ?
C1_3 C7_3 C8_3 C9_3 -176.7(6) . . . . ?
C7_3 C8_3 C9_3 C10_3 -4.0(9) . . . . ?
C8_3 C9_3 C10_3 C11_3 1.6(9) . . . . ?
C8_3 C9_3 C10_3 C13_3 179.3(6) . . . . ?
C9_3 C10_3 C11_3 C12_3 -0.3(10) . . . . ?
C13_3 C10_3 C11_3 C12_3 -178.0(6) . . . . ?
C10_3 C11_3 C12_3 C7_3 1.5(10) . . . . ?
C8_3 C7_3 C12_3 C11_3 -3.8(9) . . . . ?
C1_3 C7_3 C12_3 C11_3 178.0(6) . . . . ?
C9_3 C10_3 C13_3 O1_3 2.9(10) . . . . ?
C11_3 C10_3 C13_3 O1_3 -179.5(6) . . . . ?
C9_3 C10_3 C13_3 O2_3 -176.3(6) . . . . ?
C11_3 C10_3 C13_3 O2_3 1.3(10) . . . . ?
C2_3 C3_3 C14_3 C15_3 141.7(6) . . . . ?
C4_3 C3_3 C14_3 C15_3 -36.4(9) . . . . ?
C2_3 C3_3 C14_3 C19_3 -41.4(8) . . . . ?
C4_3 C3_3 C14_3 C19_3 140.6(6) . . . . ?
C19_3 C14_3 C15_3 C16_3 3.4(9) . . . . ?
C3_3 C14_3 C15_3 C16_3 -179.6(6) . . . . ?
C14_3 C15_3 C16_3 C17_3 -3.8(10) . . . . ?
C15_3 C16_3 C17_3 C18_3 2.2(10) . . . . ?
C15_3 C16_3 C17_3 C20_3 -177.4(6) . . . . ?
C16_3 C17_3 C18_3 C19_3 -0.4(10) . . . . ?
C20_3 C17_3 C18_3 C19_3 179.2(6) . . . . ?
C17_3 C18_3 C19_3 C14_3 0.1(9) . . . . ?
C15_3 C14_3 C19_3 C18_3 -1.5(9) . . . . ?
C3_3 C14_3 C19_3 C18_3 -178.6(5) . . . . ?
C16_3 C17_3 C20_3 O3_3 -3.0(10) . . . . ?
C18_3 C17_3 C20_3 O3_3 177.4(6) . . . . ?
C16_3 C17_3 C20_3 O4_3 174.1(6) . . . . ?
C18_3 C17_3 C20_3 O4_3 -5.6(10) . . . . ?
C6_3 C5_3 C21_3 C26_3 -140.4(6) . . . . ?
C4_3 C5_3 C21_3 C26_3 39.7(8) . . . . ?
C6_3 C5_3 C21_3 C22_3 36.4(8) . . . . ?
C4_3 C5_3 C21_3 C22_3 -143.5(6) . . . . ?
C26_3 C21_3 C22_3 C23_3 -2.4(9) . . . . ?
C5_3 C21_3 C22_3 C23_3 -179.2(5) . . . . ?
C21_3 C22_3 C23_3 C24_3 0.0(9) . . . . ?
C22_3 C23_3 C24_3 C25_3 1.0(10) . . . . ?
C22_3 C23_3 C24_3 C27_3 -179.5(6) . . . . ?
C23_3 C24_3 C25_3 C26_3 0.3(10) . . . . ?
C27_3 C24_3 C25_3 C26_3 -179.1(6) . . . . ?
C22_3 C21_3 C26_3 C25_3 3.9(9) . . . . ?
C5_3 C21_3 C26_3 C25_3 -179.4(5) . . . . ?
C24_3 C25_3 C26_3 C21_3 -2.8(9) . . . . ?
C23_3 C24_3 C27_3 O5_3 4.5(10) . . . . ?
C25_3 C24_3 C27_3 O5_3 -176.0(6) . . . . ?
C23_3 C24_3 C27_3 O6_3 -174.6(6) . . . . ?
C25_3 C24_3 C27_3 O6_3 4.9(9) . . . . ?
C6_4 C1_4 C2_4 C3_4 -5.2(9) . . . . ?
C7_4 C1_4 C2_4 C3_4 177.2(5) . . . . ?
C1_4 C2_4 C3_4 C4_4 0.9(9) . . . . ?
C1_4 C2_4 C3_4 C14_4 177.3(6) . . . . ?
C2_4 C3_4 C4_4 C5_4 1.0(9) . . . . ?
C14_4 C3_4 C4_4 C5_4 -175.4(6) . . . . ?
C3_4 C4_4 C5_4 C6_4 1.5(9) . . . . ?
C3_4 C4_4 C5_4 C21_4 -179.4(6) . . . . ?
C4_4 C5_4 C6_4 C1_4 -5.9(9) . . . . ?
C21_4 C5_4 C6_4 C1_4 175.0(5) . . . . ?
C2_4 C1_4 C6_4 C5_4 7.8(9) . . . . ?
C7_4 C1_4 C6_4 C5_4 -174.6(6) . . . . ?
C2_4 C1_4 C7_4 C8_4 21.0(9) . . . . ?
C6_4 C1_4 C7_4 C8_4 -156.6(6) . . . . ?
C2_4 C1_4 C7_4 C12_4 -157.0(6) . . . . ?
C6_4 C1_4 C7_4 C12_4 25.4(9) . . . . ?
C12_4 C7_4 C8_4 C9_4 -1.5(9) . . . . ?
C1_4 C7_4 C8_4 C9_4 -179.5(6) . . . . ?
C7_4 C8_4 C9_4 C10_4 3.4(9) . . . . ?
C8_4 C9_4 C10_4 C11_4 -2.4(9) . . . . ?
C8_4 C9_4 C10_4 C13_4 175.0(6) . . . . ?
C9_4 C10_4 C11_4 C12_4 -0.4(9) . . . . ?
C13_4 C10_4 C11_4 C12_4 -177.8(6) . . . . ?
C10_4 C11_4 C12_4 C7_4 2.4(9) . . . . ?
C8_4 C7_4 C12_4 C11_4 -1.5(9) . . . . ?
C1_4 C7_4 C12_4 C11_4 176.5(6) . . . . ?
C9_4 C10_4 C13_4 O2_4 -176.2(6) . . . . ?
C11_4 C10_4 C13_4 O2_4 1.0(9) . . . . ?
C9_4 C10_4 C13_4 O1_4 2.5(9) . . . . ?
C11_4 C10_4 C13_4 O1_4 179.7(6) . . . . ?
C2_4 C3_4 C14_4 C15_4 144.9(6) . . . . ?
C4_4 C3_4 C14_4 C15_4 -38.6(9) . . . . ?
C2_4 C3_4 C14_4 C19_4 -39.6(9) . . . . ?
C4_4 C3_4 C14_4 C19_4 136.9(6) . . . . ?
C19_4 C14_4 C15_4 C16_4 4.1(10) . . . . ?
C3_4 C14_4 C15_4 C16_4 179.6(6) . . . . ?
C14_4 C15_4 C16_4 C17_4 -2.8(10) . . . . ?
C15_4 C16_4 C17_4 C18_4 -0.8(10) . . . . ?
C15_4 C16_4 C17_4 C20_4 -177.6(6) . . . . ?
C16_4 C17_4 C18_4 C19_4 2.7(10) . . . . ?
C20_4 C17_4 C18_4 C19_4 179.5(6) . . . . ?
C17_4 C18_4 C19_4 C14_4 -1.3(10) . . . . ?
C15_4 C14_4 C19_4 C18_4 -2.0(10) . . . . ?
C3_4 C14_4 C19_4 C18_4 -177.6(6) . . . . ?
C18_4 C17_4 C20_4 O3_4 173.8(6) . . . . ?
C16_4 C17_4 C20_4 O3_4 -9.3(10) . . . . ?
C18_4 C17_4 C20_4 O4_4 -8.7(10) . . . . ?
C16_4 C17_4 C20_4 O4_4 168.2(6) . . . . ?
C6_4 C5_4 C21_4 C26_4 -143.2(6) . . . . ?
C4_4 C5_4 C21_4 C26_4 37.6(9) . . . . ?
C6_4 C5_4 C21_4 C22_4 36.1(9) . . . . ?
C4_4 C5_4 C21_4 C22_4 -143.0(6) . . . . ?
C26_4 C21_4 C22_4 C23_4 3.2(10) . . . . ?
C5_4 C21_4 C22_4 C23_4 -176.2(6) . . . . ?
C21_4 C22_4 C23_4 C24_4 -1.7(11) . . . . ?
C22_4 C23_4 C24_4 C25_4 0.3(11) . . . . ?
C22_4 C23_4 C24_4 C27_4 178.9(7) . . . . ?
C23_4 C24_4 C25_4 C26_4 -0.3(10) . . . . ?
C27_4 C24_4 C25_4 C26_4 -178.7(6) . . . . ?
C22_4 C21_4 C26_4 C25_4 -3.2(10) . . . . ?
C5_4 C21_4 C26_4 C25_4 176.1(5) . . . . ?
C24_4 C25_4 C26_4 C21_4 1.8(10) . . . . ?
C25_4 C24_4 C27_4 O5_4 -176.0(7) . . . . ?
C23_4 C24_4 C27_4 O5_4 5.6(11) . . . . ?
C25_4 C24_4 C27_4 O6_4 1.4(11) . . . . ?
C23_4 C24_4 C27_4 O6_4 -177.1(7) . . . . ?
C6_5 C1_5 C2_5 C3_5 0.7(9) . . . . ?
C7_5 C1_5 C2_5 C3_5 -175.8(5) . . . . ?
C1_5 C2_5 C3_5 C4_5 -4.7(9) . . . . ?
C1_5 C2_5 C3_5 C14_5 175.3(5) . . . . ?
C2_5 C3_5 C4_5 C5_5 5.7(10) . . . . ?
C14_5 C3_5 C4_5 C5_5 -174.3(6) . . . . ?
C3_5 C4_5 C5_5 C6_5 -2.8(10) . . . . ?
C3_5 C4_5 C5_5 C21_5 175.9(6) . . . . ?
C2_5 C1_5 C6_5 C5_5 2.3(9) . . . . ?
C7_5 C1_5 C6_5 C5_5 178.8(6) . . . . ?
C4_5 C5_5 C6_5 C1_5 -1.3(9) . . . . ?
C21_5 C5_5 C6_5 C1_5 -180.0(6) . . . . ?
C6_5 C1_5 C7_5 C8_5 -154.7(6) . . . . ?
C2_5 C1_5 C7_5 C8_5 21.8(9) . . . . ?
C6_5 C1_5 C7_5 C12_5 28.9(9) . . . . ?
C2_5 C1_5 C7_5 C12_5 -154.6(6) . . . . ?
C12_5 C7_5 C8_5 C9_5 -6.0(10) . . . . ?
C1_5 C7_5 C8_5 C9_5 177.5(6) . . . . ?
C7_5 C8_5 C9_5 C10_5 8.0(10) . . . . ?
C8_5 C9_5 C10_5 C11_5 -7.5(10) . . . . ?
C8_5 C9_5 C10_5 C13_5 176.9(6) . . . . ?
C9_5 C10_5 C11_5 C12_5 5.0(10) . . . . ?
C13_5 C10_5 C11_5 C12_5 -179.4(6) . . . . ?
C10_5 C11_5 C12_5 C7_5 -2.8(10) . . . . ?
C8_5 C7_5 C12_5 C11_5 3.3(9) . . . . ?
C1_5 C7_5 C12_5 C11_5 179.8(6) . . . . ?
C11_5 C10_5 C13_5 O2_5 6.7(9) . . . . ?
C9_5 C10_5 C13_5 O2_5 -177.5(6) . . . . ?
C11_5 C10_5 C13_5 O1_5 -173.9(6) . . . . ?
C9_5 C10_5 C13_5 O1_5 1.9(9) . . . . ?
C4_5 C3_5 C14_5 C19_5 141.1(6) . . . . ?
C2_5 C3_5 C14_5 C19_5 -39.0(9) . . . . ?
C4_5 C3_5 C14_5 C15_5 -35.5(9) . . . . ?
C2_5 C3_5 C14_5 C15_5 144.4(6) . . . . ?
C19_5 C14_5 C15_5 C16_5 3.9(10) . . . . ?
C3_5 C14_5 C15_5 C16_5 -179.5(6) . . . . ?
C14_5 C15_5 C16_5 C17_5 -5.5(9) . . . . ?
C15_5 C16_5 C17_5 C18_5 4.7(9) . . . . ?
C15_5 C16_5 C17_5 C20_5 -178.4(6) . . . . ?
C16_5 C17_5 C18_5 C19_5 -2.1(10) . . . . ?
C20_5 C17_5 C18_5 C19_5 -178.8(6) . . . . ?
C15_5 C14_5 C19_5 C18_5 -1.2(10) . . . . ?
C3_5 C14_5 C19_5 C18_5 -177.8(6) . . . . ?
C17_5 C18_5 C19_5 C14_5 0.2(10) . . . . ?
C18_5 C17_5 C20_5 O3_5 170.8(6) . . . . ?
C16_5 C17_5 C20_5 O3_5 -6.1(9) . . . . ?
C18_5 C17_5 C20_5 O4_5 -8.3(10) . . . . ?
C16_5 C17_5 C20_5 O4_5 174.7(6) . . . . ?
C6_5 C5_5 C21_5 C22_5 31.9(9) . . . . ?
C4_5 C5_5 C21_5 C22_5 -146.8(6) . . . . ?
C6_5 C5_5 C21_5 C26_5 -142.5(6) . . . . ?
C4_5 C5_5 C21_5 C26_5 38.9(8) . . . . ?
C26_5 C21_5 C22_5 C23_5 0.8(9) . . . . ?
C5_5 C21_5 C22_5 C23_5 -173.6(5) . . . . ?
C21_5 C22_5 C23_5 C24_5 -1.0(9) . . . . ?
C22_5 C23_5 C24_5 C25_5 0.2(9) . . . . ?
C22_5 C23_5 C24_5 C27_5 -179.2(6) . . . . ?
C23_5 C24_5 C25_5 C26_5 0.9(9) . . . . ?
C27_5 C24_5 C25_5 C26_5 -179.7(6) . . . . ?
C24_5 C25_5 C26_5 C21_5 -1.1(9) . . . . ?
C22_5 C21_5 C26_5 C25_5 0.3(9) . . . . ?
C5_5 C21_5 C26_5 C25_5 174.7(5) . . . . ?
C23_5 C24_5 C27_5 O6_5 -173.9(6) . . . . ?
C25_5 C24_5 C27_5 O6_5 6.7(9) . . . . ?
C23_5 C24_5 C27_5 O5_5 4.2(9) . . . . ?
C25_5 C24_5 C27_5 O5_5 -175.2(6) . . . . ?
C6_6 C1_6 C2_6 C3_6 -2.1(9) . . . . ?
C7_6 C1_6 C2_6 C3_6 -178.5(5) . . . . ?
C1_6 C2_6 C3_6 C4_6 2.4(9) . . . . ?
C1_6 C2_6 C3_6 C14_6 176.3(5) . . . . ?
C2_6 C3_6 C4_6 C5_6 -3.9(9) . . . . ?
C14_6 C3_6 C4_6 C5_6 -177.8(5) . . . . ?
C3_6 C4_6 C5_6 C6_6 5.3(9) . . . . ?
C3_6 C4_6 C5_6 C21_6 180.0(5) . . . . ?
C2_6 C1_6 C6_6 C5_6 3.5(8) . . . . ?
C7_6 C1_6 C6_6 C5_6 179.8(5) . . . . ?
C4_6 C5_6 C6_6 C1_6 -5.1(9) . . . . ?
C21_6 C5_6 C6_6 C1_6 -179.7(5) . . . . ?
C6_6 C1_6 C7_6 C8_6 -152.8(6) . . . . ?
C2_6 C1_6 C7_6 C8_6 23.6(9) . . . . ?
C6_6 C1_6 C7_6 C12_6 29.0(8) . . . . ?
C2_6 C1_6 C7_6 C12_6 -154.6(6) . . . . ?
C12_6 C7_6 C8_6 C9_6 -2.2(9) . . . . ?
C1_6 C7_6 C8_6 C9_6 179.5(6) . . . . ?
C7_6 C8_6 C9_6 C10_6 1.4(9) . . . . ?
C8_6 C9_6 C10_6 C11_6 -2.5(9) . . . . ?
C8_6 C9_6 C10_6 C13_6 177.9(6) . . . . ?
C9_6 C10_6 C11_6 C12_6 4.6(9) . . . . ?
C13_6 C10_6 C11_6 C12_6 -175.7(6) . . . . ?
C10_6 C11_6 C12_6 C7_6 -5.6(9) . . . . ?
C8_6 C7_6 C12_6 C11_6 4.2(9) . . . . ?
C1_6 C7_6 C12_6 C11_6 -177.5(6) . . . . ?
C11_6 C10_6 C13_6 O2_6 5.4(9) . . . . ?
C9_6 C10_6 C13_6 O2_6 -174.9(6) . . . . ?
C11_6 C10_6 C13_6 O1_6 -174.5(6) . . . . ?
C9_6 C10_6 C13_6 O1_6 5.1(9) . . . . ?
C2_6 C3_6 C14_6 C19_6 -34.7(8) . . . . ?
C4_6 C3_6 C14_6 C19_6 139.2(6) . . . . ?
C2_6 C3_6 C14_6 C15_6 145.5(6) . . . . ?
C4_6 C3_6 C14_6 C15_6 -40.6(8) . . . . ?
C19_6 C14_6 C15_6 C16_6 -1.7(9) . . . . ?
C3_6 C14_6 C15_6 C16_6 178.1(5) . . . . ?
C14_6 C15_6 C16_6 C17_6 1.0(8) . . . . ?
C15_6 C16_6 C17_6 C18_6 0.2(9) . . . . ?
C15_6 C16_6 C17_6 C20_6 -178.9(5) . . . . ?
C16_6 C17_6 C18_6 C19_6 -0.6(9) . . . . ?
C20_6 C17_6 C18_6 C19_6 178.5(5) . . . . ?
C15_6 C14_6 C19_6 C18_6 1.3(9) . . . . ?
C3_6 C14_6 C19_6 C18_6 -178.5(5) . . . . ?
C17_6 C18_6 C19_6 C14_6 -0.1(9) . . . . ?
C16_6 C17_6 C20_6 O4_6 176.9(6) . . . . ?
C18_6 C17_6 C20_6 O4_6 -2.2(9) . . . . ?
C16_6 C17_6 C20_6 O3_6 -2.8(8) . . . . ?
C18_6 C17_6 C20_6 O3_6 178.0(5) . . . . ?
C6_6 C5_6 C21_6 C26_6 -144.2(6) . . . . ?
C4_6 C5_6 C21_6 C26_6 41.2(8) . . . . ?
C6_6 C5_6 C21_6 C22_6 34.8(9) . . . . ?
C4_6 C5_6 C21_6 C22_6 -139.8(6) . . . . ?
C26_6 C21_6 C22_6 C23_6 1.0(8) . . . . ?
C5_6 C21_6 C22_6 C23_6 -178.1(5) . . . . ?
C21_6 C22_6 C23_6 C24_6 -1.0(9) . . . . ?
C22_6 C23_6 C24_6 C25_6 1.0(9) . . . . ?
C22_6 C23_6 C24_6 C27_6 -179.3(6) . . . . ?
C23_6 C24_6 C25_6 C26_6 -1.0(9) . . . . ?
C27_6 C24_6 C25_6 C26_6 179.3(6) . . . . ?
C24_6 C25_6 C26_6 C21_6 1.0(9) . . . . ?
C22_6 C21_6 C26_6 C25_6 -1.0(9) . . . . ?
C5_6 C21_6 C26_6 C25_6 178.1(5) . . . . ?
C23_6 C24_6 C27_6 O5_6 2.6(10) . . . . ?
C25_6 C24_6 C27_6 O5_6 -177.7(6) . . . . ?
C23_6 C24_6 C27_6 O6_6 -177.3(6) . . . . ?
C25_6 C24_6 C27_6 O6_6 2.4(9) . . . . ?
C6_7 C1_7 C2_7 C3_7 -1.0(9) . . . . ?
C7_7 C1_7 C2_7 C3_7 179.1(5) . . . . ?
C1_7 C2_7 C3_7 C4_7 2.5(9) . . . . ?
C1_7 C2_7 C3_7 C14_7 177.3(5) . . . . ?
C2_7 C3_7 C4_7 C5_7 -2.4(9) . . . . ?
C14_7 C3_7 C4_7 C5_7 -177.2(6) . . . . ?
C3_7 C4_7 C5_7 C6_7 1.0(9) . . . . ?
C3_7 C4_7 C5_7 C21_7 177.9(6) . . . . ?
C4_7 C5_7 C6_7 C1_7 0.5(9) . . . . ?
C21_7 C5_7 C6_7 C1_7 -176.4(6) . . . . ?
C2_7 C1_7 C6_7 C5_7 -0.5(9) . . . . ?
C7_7 C1_7 C6_7 C5_7 179.4(6) . . . . ?
C2_7 C1_7 C7_7 C12_7 -153.4(6) . . . . ?
C6_7 C1_7 C7_7 C12_7 26.7(9) . . . . ?
C2_7 C1_7 C7_7 C8_7 27.9(9) . . . . ?
C6_7 C1_7 C7_7 C8_7 -152.0(6) . . . . ?
C12_7 C7_7 C8_7 C9_7 -0.4(9) . . . . ?
C1_7 C7_7 C8_7 C9_7 178.3(6) . . . . ?
C7_7 C8_7 C9_7 C10_7 0.2(9) . . . . ?
C8_7 C9_7 C10_7 C11_7 0.1(9) . . . . ?
C8_7 C9_7 C10_7 C13_7 -179.4(6) . . . . ?
C9_7 C10_7 C11_7 C12_7 -0.2(10) . . . . ?
C13_7 C10_7 C11_7 C12_7 179.4(6) . . . . ?
C10_7 C11_7 C12_7 C7_7 -0.1(10) . . . . ?
C8_7 C7_7 C12_7 C11_7 0.4(9) . . . . ?
C1_7 C7_7 C12_7 C11_7 -178.4(6) . . . . ?
C9_7 C10_7 C13_7 O2_7 -174.3(6) . . . . ?
C11_7 C10_7 C13_7 O2_7 6.2(9) . . . . ?
C9_7 C10_7 C13_7 O1_7 4.3(9) . . . . ?
C11_7 C10_7 C13_7 O1_7 -175.3(6) . . . . ?
C4_7 C3_7 C14_7 C19_7 136.7(6) . . . . ?
C2_7 C3_7 C14_7 C19_7 -38.1(8) . . . . ?
C4_7 C3_7 C14_7 C15_7 -39.4(9) . . . . ?
C2_7 C3_7 C14_7 C15_7 145.8(6) . . . . ?
C19_7 C14_7 C15_7 C16_7 1.2(9) . . . . ?
C3_7 C14_7 C15_7 C16_7 177.2(6) . . . . ?
C14_7 C15_7 C16_7 C17_7 -1.3(10) . . . . ?
C15_7 C16_7 C17_7 C18_7 1.8(10) . . . . ?
C15_7 C16_7 C17_7 C20_7 -177.6(6) . . . . ?
C16_7 C17_7 C18_7 C19_7 -2.2(9) . . . . ?
C20_7 C17_7 C18_7 C19_7 177.2(5) . . . . ?
C17_7 C18_7 C19_7 C14_7 2.2(9) . . . . ?
C15_7 C14_7 C19_7 C18_7 -1.6(9) . . . . ?
C3_7 C14_7 C19_7 C18_7 -177.8(5) . . . . ?
C16_7 C17_7 C20_7 O4_7 176.2(6) . . . . ?
C18_7 C17_7 C20_7 O4_7 -3.2(9) . . . . ?
C16_7 C17_7 C20_7 O3_7 0.8(9) . . . . ?
C18_7 C17_7 C20_7 O3_7 -178.6(5) . . . . ?
C6_7 C5_7 C21_7 C22_7 34.1(9) . . . . ?
C4_7 C5_7 C21_7 C22_7 -142.7(6) . . . . ?
C6_7 C5_7 C21_7 C26_7 -144.1(6) . . . . ?
C4_7 C5_7 C21_7 C26_7 39.1(9) . . . . ?
C26_7 C21_7 C22_7 C23_7 -3.8(9) . . . . ?
C5_7 C21_7 C22_7 C23_7 177.9(5) . . . . ?
C21_7 C22_7 C23_7 C24_7 4.2(9) . . . . ?
C22_7 C23_7 C24_7 C25_7 -2.2(9) . . . . ?
C22_7 C23_7 C24_7 C27_7 -179.6(6) . . . . ?
C23_7 C24_7 C25_7 C26_7 0.1(10) . . . . ?
C27_7 C24_7 C25_7 C26_7 177.5(6) . . . . ?
C24_7 C25_7 C26_7 C21_7 0.1(10) . . . . ?
C22_7 C21_7 C26_7 C25_7 1.7(9) . . . . ?
C5_7 C21_7 C26_7 C25_7 -180.0(6) . . . . ?
C23_7 C24_7 C27_7 O5_7 4.7(11) . . . . ?
C25_7 C24_7 C27_7 O5_7 -172.7(7) . . . . ?
C23_7 C24_7 C27_7 O6_7 -179.3(6) . . . . ?
C25_7 C24_7 C27_7 O6_7 3.3(10) . . . . ?
C6_8 C1_8 C2_8 C3_8 1.3(8) . . . . ?
C7_8 C1_8 C2_8 C3_8 -176.8(5) . . . . ?
C1_8 C2_8 C3_8 C4_8 0.2(8) . . . . ?
C1_8 C2_8 C3_8 C14_8 -179.3(5) . . . . ?
C2_8 C3_8 C4_8 C5_8 -1.3(8) . . . . ?
C14_8 C3_8 C4_8 C5_8 178.2(5) . . . . ?
C3_8 C4_8 C5_8 C6_8 0.7(8) . . . . ?
C3_8 C4_8 C5_8 C21_8 -176.8(5) . . . . ?
C2_8 C1_8 C6_8 C5_8 -2.0(9) . . . . ?
C7_8 C1_8 C6_8 C5_8 176.1(5) . . . . ?
C4_8 C5_8 C6_8 C1_8 1.0(9) . . . . ?
C21_8 C5_8 C6_8 C1_8 178.4(6) . . . . ?
C6_8 C1_8 C7_8 C12_8 -23.2(8) . . . . ?
C2_8 C1_8 C7_8 C12_8 154.8(5) . . . . ?
C6_8 C1_8 C7_8 C8_8 153.5(6) . . . . ?
C2_8 C1_8 C7_8 C8_8 -28.5(8) . . . . ?
C12_8 C7_8 C8_8 C9_8 0.8(8) . . . . ?
C1_8 C7_8 C8_8 C9_8 -176.0(5) . . . . ?
C7_8 C8_8 C9_8 C10_8 -0.1(8) . . . . ?
C8_8 C9_8 C10_8 C11_8 0.5(8) . . . . ?
C8_8 C9_8 C10_8 C13_8 -179.3(5) . . . . ?
C9_8 C10_8 C11_8 C12_8 -1.4(8) . . . . ?
C13_8 C10_8 C11_8 C12_8 178.4(5) . . . . ?
C8_8 C7_8 C12_8 C11_8 -1.8(8) . . . . ?
C1_8 C7_8 C12_8 C11_8 174.9(5) . . . . ?
C10_8 C11_8 C12_8 C7_8 2.1(8) . . . . ?
C9_8 C10_8 C13_8 O2_8 175.9(6) . . . . ?
C11_8 C10_8 C13_8 O2_8 -3.8(9) . . . . ?
C9_8 C10_8 C13_8 O1_8 -3.5(8) . . . . ?
C11_8 C10_8 C13_8 O1_8 176.7(5) . . . . ?
C2_8 C3_8 C14_8 C15_8 -144.9(6) . . . . ?
C4_8 C3_8 C14_8 C15_8 35.6(8) . . . . ?
C2_8 C3_8 C14_8 C19_8 33.1(8) . . . . ?
C4_8 C3_8 C14_8 C19_8 -146.4(6) . . . . ?
C19_8 C14_8 C15_8 C16_8 3.7(9) . . . . ?
C3_8 C14_8 C15_8 C16_8 -178.2(6) . . . . ?
C14_8 C15_8 C16_8 C17_8 -2.8(10) . . . . ?
C15_8 C16_8 C17_8 C18_8 2.0(10) . . . . ?
C15_8 C16_8 C17_8 C20_8 174.9(6) . . . . ?
C16_8 C17_8 C18_8 C19_8 -2.3(9) . . . . ?
C20_8 C17_8 C18_8 C19_8 -175.3(6) . . . . ?
C17_8 C18_8 C19_8 C14_8 3.3(9) . . . . ?
C15_8 C14_8 C19_8 C18_8 -4.0(9) . . . . ?
C3_8 C14_8 C19_8 C18_8 177.9(5) . . . . ?
C16_8 C17_8 C20_8 O3_8 11.6(10) . . . . ?
C18_8 C17_8 C20_8 O3_8 -175.6(6) . . . . ?
C16_8 C17_8 C20_8 O4_8 -172.9(6) . . . . ?
C18_8 C17_8 C20_8 O4_8 -0.1(9) . . . . ?
C6_8 C5_8 C21_8 C26_8 142.3(6) . . . . ?
C4_8 C5_8 C21_8 C26_8 -40.2(8) . . . . ?
C6_8 C5_8 C21_8 C22_8 -38.7(8) . . . . ?
C4_8 C5_8 C21_8 C22_8 138.7(6) . . . . ?
C26_8 C21_8 C22_8 C23_8 2.0(9) . . . . ?
C5_8 C21_8 C22_8 C23_8 -177.0(5) . . . . ?
C21_8 C22_8 C23_8 C24_8 -3.2(9) . . . . ?
C22_8 C23_8 C24_8 C25_8 3.9(10) . . . . ?
C22_8 C23_8 C24_8 C27_8 -179.0(6) . . . . ?
C23_8 C24_8 C25_8 C26_8 -3.2(9) . . . . ?
C27_8 C24_8 C25_8 C26_8 179.6(5) . . . . ?
C22_8 C21_8 C26_8 C25_8 -1.6(9) . . . . ?
C5_8 C21_8 C26_8 C25_8 177.4(5) . . . . ?
C24_8 C25_8 C26_8 C21_8 2.1(9) . . . . ?
C23_8 C24_8 C27_8 O6_8 175.3(6) . . . . ?
C25_8 C24_8 C27_8 O6_8 -7.5(10) . . . . ?
C23_8 C24_8 C27_8 O5_8 -4.9(9) . . . . ?
C25_8 C24_8 C27_8 O5_8 172.3(6) . . . . ?
C6_9 C1_9 C2_9 C3_9 -1.8(8) . . . . ?
C7_9 C1_9 C2_9 C3_9 180.0(5) . . . . ?
C1_9 C2_9 C3_9 C4_9 0.8(8) . . . . ?
C1_9 C2_9 C3_9 C14_9 -175.7(5) . . . . ?
C2_9 C3_9 C4_9 C5_9 1.7(8) . . . . ?
C14_9 C3_9 C4_9 C5_9 178.1(6) . . . . ?
C3_9 C4_9 C5_9 C6_9 -3.1(9) . . . . ?
C3_9 C4_9 C5_9 C21_9 -179.4(5) . . . . ?
C4_9 C5_9 C6_9 C1_9 2.0(9) . . . . ?
C21_9 C5_9 C6_9 C1_9 178.2(5) . . . . ?
C2_9 C1_9 C6_9 C5_9 0.4(9) . . . . ?
C7_9 C1_9 C6_9 C5_9 178.6(6) . . . . ?
C6_9 C1_9 C7_9 C12_9 -21.9(9) . . . . ?
C2_9 C1_9 C7_9 C12_9 156.3(5) . . . . ?
C6_9 C1_9 C7_9 C8_9 157.1(6) . . . . ?
C2_9 C1_9 C7_9 C8_9 -24.7(8) . . . . ?
C12_9 C7_9 C8_9 C9_9 0.9(8) . . . . ?
C1_9 C7_9 C8_9 C9_9 -178.2(5) . . . . ?
C7_9 C8_9 C9_9 C10_9 -0.2(8) . . . . ?
C8_9 C9_9 C10_9 C11_9 -0.6(8) . . . . ?
C8_9 C9_9 C10_9 C13_9 -177.7(5) . . . . ?
C9_9 C10_9 C11_9 C12_9 0.7(8) . . . . ?
C13_9 C10_9 C11_9 C12_9 178.0(5) . . . . ?
C10_9 C11_9 C12_9 C7_9 0.0(9) . . . . ?
C8_9 C7_9 C12_9 C11_9 -0.8(8) . . . . ?
C1_9 C7_9 C12_9 C11_9 178.3(6) . . . . ?
C9_9 C10_9 C13_9 O2_9 177.0(6) . . . . ?
C11_9 C10_9 C13_9 O2_9 -0.1(9) . . . . ?
C9_9 C10_9 C13_9 O1_9 -4.7(9) . . . . ?
C11_9 C10_9 C13_9 O1_9 178.2(5) . . . . ?
C4_9 C3_9 C14_9 C15_9 39.4(9) . . . . ?
C2_9 C3_9 C14_9 C15_9 -144.3(6) . . . . ?
C4_9 C3_9 C14_9 C19_9 -144.1(6) . . . . ?
C2_9 C3_9 C14_9 C19_9 32.2(9) . . . . ?
C19_9 C14_9 C15_9 C16_9 4.5(9) . . . . ?
C3_9 C14_9 C15_9 C16_9 -178.9(6) . . . . ?
C14_9 C15_9 C16_9 C17_9 -0.7(10) . . . . ?
C15_9 C16_9 C17_9 C18_9 -5.2(9) . . . . ?
C15_9 C16_9 C17_9 C20_9 179.2(6) . . . . ?
C16_9 C17_9 C18_9 C19_9 7.5(10) . . . . ?
C20_9 C17_9 C18_9 C19_9 -176.9(6) . . . . ?
C17_9 C18_9 C19_9 C14_9 -3.6(10) . . . . ?
C15_9 C14_9 C19_9 C18_9 -2.3(9) . . . . ?
C3_9 C14_9 C19_9 C18_9 -179.0(6) . . . . ?
C18_9 C17_9 C20_9 O4_9 2.8(10) . . . . ?
C16_9 C17_9 C20_9 O4_9 178.3(6) . . . . ?
C18_9 C17_9 C20_9 O3_9 -176.2(6) . . . . ?
C16_9 C17_9 C20_9 O3_9 -0.7(10) . . . . ?
C6_9 C5_9 C21_9 C26_9 144.4(6) . . . . ?
C4_9 C5_9 C21_9 C26_9 -39.4(8) . . . . ?
C6_9 C5_9 C21_9 C22_9 -33.8(8) . . . . ?
C4_9 C5_9 C21_9 C22_9 142.4(6) . . . . ?
C26_9 C21_9 C22_9 C23_9 -1.1(9) . . . . ?
C5_9 C21_9 C22_9 C23_9 177.1(5) . . . . ?
C21_9 C22_9 C23_9 C24_9 0.3(9) . . . . ?
C22_9 C23_9 C24_9 C25_9 -2.1(9) . . . . ?
C22_9 C23_9 C24_9 C27_9 177.9(5) . . . . ?
C23_9 C24_9 C25_9 C26_9 5.0(9) . . . . ?
C27_9 C24_9 C25_9 C26_9 -175.0(6) . . . . ?
C24_9 C25_9 C26_9 C21_9 -6.1(10) . . . . ?
C22_9 C21_9 C26_9 C25_9 4.0(9) . . . . ?
C5_9 C21_9 C26_9 C25_9 -174.1(6) . . . . ?
C25_9 C24_9 C27_9 O5_9 179.0(6) . . . . ?
C23_9 C24_9 C27_9 O5_9 -1.0(9) . . . . ?
C25_9 C24_9 C27_9 O6_9 -6.7(9) . . . . ?
C23_9 C24_9 C27_9 O6_9 173.3(5) . . . . ?
C6_10 C1_10 C2_10 C3_10 -0.8(9) . . . . ?
C7_10 C1_10 C2_10 C3_10 179.0(6) . . . . ?
C1_10 C2_10 C3_10 C4_10 1.1(9) . . . . ?
C1_10 C2_10 C3_10 C14_10 -175.5(6) . . . . ?
C2_10 C3_10 C4_10 C5_10 -1.5(9) . . . . ?
C14_10 C3_10 C4_10 C5_10 175.2(6) . . . . ?
C3_10 C4_10 C5_10 C6_10 1.8(9) . . . . ?
C3_10 C4_10 C5_10 C21_10 179.3(6) . . . . ?
C4_10 C5_10 C6_10 C1_10 -1.5(9) . . . . ?
C21_10 C5_10 C6_10 C1_10 -179.2(6) . . . . ?
C2_10 C1_10 C6_10 C5_10 1.1(9) . . . . ?
C7_10 C1_10 C6_10 C5_10 -178.8(6) . . . . ?
C2_10 C1_10 C7_10 C8_10 -22.7(9) . . . . ?
C6_10 C1_10 C7_10 C8_10 157.1(6) . . . . ?
C2_10 C1_10 C7_10 C12_10 157.6(6) . . . . ?
C6_10 C1_10 C7_10 C12_10 -22.6(8) . . . . ?
C12_10 C7_10 C8_10 C9_10 -3.4(9) . . . . ?
C1_10 C7_10 C8_10 C9_10 176.9(6) . . . . ?
C7_10 C8_10 C9_10 C10_10 5.6(10) . . . . ?
C8_10 C9_10 C10_10 C11_10 -5.2(10) . . . . ?
C8_10 C9_10 C10_10 C13_10 -178.1(6) . . . . ?
C9_10 C10_10 C11_10 C12_10 2.8(10) . . . . ?
C13_10 C10_10 C11_10 C12_10 176.0(6) . . . . ?
C10_10 C11_10 C12_10 C7_10 -0.7(9) . . . . ?
C8_10 C7_10 C12_10 C11_10 0.9(9) . . . . ?
C1_10 C7_10 C12_10 C11_10 -179.4(6) . . . . ?
C9_10 C10_10 C13_10 O2_10 173.1(6) . . . . ?
C11_10 C10_10 C13_10 O2_10 0.1(9) . . . . ?
C9_10 C10_10 C13_10 O1_10 -4.4(9) . . . . ?
C11_10 C10_10 C13_10 O1_10 -177.4(6) . . . . ?
C4_10 C3_10 C14_10 C15_10 30.2(9) . . . . ?
C2_10 C3_10 C14_10 C15_10 -153.2(6) . . . . ?
C4_10 C3_10 C14_10 C19_10 -152.4(6) . . . . ?
C2_10 C3_10 C14_10 C19_10 24.2(10) . . . . ?
C19_10 C14_10 C15_10 C16_10 1.0(10) . . . . ?
C3_10 C14_10 C15_10 C16_10 178.4(6) . . . . ?
C14_10 C15_10 C16_10 C17_10 2.0(11) . . . . ?
C15_10 C16_10 C17_10 C18_10 -2.4(11) . . . . ?
C15_10 C16_10 C17_10 C20_10 176.6(7) . . . . ?
C16_10 C17_10 C18_10 C19_10 -0.3(11) . . . . ?
C20_10 C17_10 C18_10 C19_10 -179.3(7) . . . . ?
C17_10 C18_10 C19_10 C14_10 3.3(10) . . . . ?
C15_10 C14_10 C19_10 C18_10 -3.7(10) . . . . ?
C3_10 C14_10 C19_10 C18_10 178.8(6) . . . . ?
C16_10 C17_10 C20_10 O4_10 -177.2(7) . . . . ?
C18_10 C17_10 C20_10 O4_10 1.7(11) . . . . ?
C16_10 C17_10 C20_10 O3_10 8.7(11) . . . . ?
C18_10 C17_10 C20_10 O3_10 -172.4(7) . . . . ?
C4_10 C5_10 C21_10 C22_10 142.3(7) . . . . ?
C6_10 C5_10 C21_10 C22_10 -40.1(9) . . . . ?
C4_10 C5_10 C21_10 C26_10 -40.9(9) . . . . ?
C6_10 C5_10 C21_10 C26_10 136.7(7) . . . . ?
C26_10 C21_10 C22_10 C23_10 0.1(11) . . . . ?
C5_10 C21_10 C22_10 C23_10 177.0(7) . . . . ?
C21_10 C22_10 C23_10 C24_10 -0.9(11) . . . . ?
C22_10 C23_10 C24_10 C25_10 2.1(11) . . . . ?
C22_10 C23_10 C24_10 C27_10 179.9(6) . . . . ?
C23_10 C24_10 C25_10 C26_10 -2.3(9) . . . . ?
C27_10 C24_10 C25_10 C26_10 179.8(6) . . . . ?
C22_10 C21_10 C26_10 C25_10 -0.5(10) . . . . ?
C5_10 C21_10 C26_10 C25_10 -177.5(6) . . . . ?
C24_10 C25_10 C26_10 C21_10 1.6(10) . . . . ?
C23_10 C24_10 C27_10 O5_10 -4.8(10) . . . . ?
C25_10 C24_10 C27_10 O5_10 173.1(7) . . . . ?
C23_10 C24_10 C27_10 O6_10 177.1(6) . . . . ?
C25_10 C24_10 C27_10 O6_10 -5.1(9) . . . . ?
C6_11 C1_11 C2_11 C3_11 3.2(9) . . . . ?
C7_11 C1_11 C2_11 C3_11 -176.2(6) . . . . ?
C1_11 C2_11 C3_11 C4_11 -2.2(10) . . . . ?
C1_11 C2_11 C3_11 C14_11 178.1(6) . . . . ?
C2_11 C3_11 C4_11 C5_11 3.5(9) . . . . ?
C14_11 C3_11 C4_11 C5_11 -176.7(6) . . . . ?
C3_11 C4_11 C5_11 C6_11 -6.2(9) . . . . ?
C3_11 C4_11 C5_11 C21_11 178.0(6) . . . . ?
C4_11 C5_11 C6_11 C1_11 7.6(9) . . . . ?
C21_11 C5_11 C6_11 C1_11 -176.6(6) . . . . ?
C2_11 C1_11 C6_11 C5_11 -6.0(9) . . . . ?
C7_11 C1_11 C6_11 C5_11 173.4(6) . . . . ?
C2_11 C1_11 C7_11 C12_11 156.9(6) . . . . ?
C6_11 C1_11 C7_11 C12_11 -22.6(9) . . . . ?
C2_11 C1_11 C7_11 C8_11 -24.4(9) . . . . ?
C6_11 C1_11 C7_11 C8_11 156.2(6) . . . . ?
C12_11 C7_11 C8_11 C9_11 -4.5(10) . . . . ?
C1_11 C7_11 C8_11 C9_11 176.7(6) . . . . ?
C7_11 C8_11 C9_11 C10_11 0.8(11) . . . . ?
C8_11 C9_11 C10_11 C11_11 3.9(10) . . . . ?
C8_11 C9_11 C10_11 C13_11 -176.5(6) . . . . ?
C9_11 C10_11 C11_11 C12_11 -4.5(9) . . . . ?
C13_11 C10_11 C11_11 C12_11 175.9(6) . . . . ?
C8_11 C7_11 C12_11 C11_11 3.7(9) . . . . ?
C1_11 C7_11 C12_11 C11_11 -177.4(6) . . . . ?
C10_11 C11_11 C12_11 C7_11 0.7(10) . . . . ?
C11_11 C10_11 C13_11 O1_11 177.0(6) . . . . ?
C9_11 C10_11 C13_11 O1_11 -2.5(9) . . . . ?
C11_11 C10_11 C13_11 O2_11 -0.2(9) . . . . ?
C9_11 C10_11 C13_11 O2_11 -179.7(6) . . . . ?
C2_11 C3_11 C14_11 C15_11 -141.9(7) . . . . ?
C4_11 C3_11 C14_11 C15_11 38.4(9) . . . . ?
C2_11 C3_11 C14_11 C19_11 39.2(9) . . . . ?
C4_11 C3_11 C14_11 C19_11 -140.6(6) . . . . ?
C19_11 C14_11 C15_11 C16_11 -1.9(10) . . . . ?
C3_11 C14_11 C15_11 C16_11 179.2(6) . . . . ?
C14_11 C15_11 C16_11 C17_11 2.5(11) . . . . ?
C15_11 C16_11 C17_11 C18_11 -2.4(11) . . . . ?
C15_11 C16_11 C17_11 C20_11 178.1(7) . . . . ?
C16_11 C17_11 C18_11 C19_11 1.7(10) . . . . ?
C20_11 C17_11 C18_11 C19_11 -178.7(6) . . . . ?
C15_11 C14_11 C19_11 C18_11 1.3(10) . . . . ?
C3_11 C14_11 C19_11 C18_11 -179.8(6) . . . . ?
C17_11 C18_11 C19_11 C14_11 -1.2(10) . . . . ?
C18_11 C17_11 C20_11 O3_11 -172.3(7) . . . . ?
C16_11 C17_11 C20_11 O3_11 7.2(11) . . . . ?
C18_11 C17_11 C20_11 O4_11 9.0(10) . . . . ?
C16_11 C17_11 C20_11 O4_11 -171.4(7) . . . . ?
C6_11 C5_11 C21_11 C22_11 -37.7(10) . . . . ?
C4_11 C5_11 C21_11 C22_11 138.1(8) . . . . ?
C6_11 C5_11 C21_11 C26_11 143.2(7) . . . . ?
C4_11 C5_11 C21_11 C26_11 -40.9(9) . . . . ?
C26_11 C21_11 C22_11 C23_11 -4.4(13) . . . . ?
C5_11 C21_11 C22_11 C23_11 176.6(8) . . . . ?
C21_11 C22_11 C23_11 C24_11 2.6(16) . . . . ?
C22_11 C23_11 C24_11 C25_11 -0.2(16) . . . . ?
C22_11 C23_11 C24_11 C27_11 179.3(9) . . . . ?
C23_11 C24_11 C25_11 C26_11 -0.3(12) . . . . ?
C27_11 C24_11 C25_11 C26_11 -179.8(6) . . . . ?
C24_11 C25_11 C26_11 C21_11 -1.6(10) . . . . ?
C22_11 C21_11 C26_11 C25_11 4.0(11) . . . . ?
C5_11 C21_11 C26_11 C25_11 -177.0(6) . . . . ?
C23_11 C24_11 C27_11 O5_11 -0.1(13) . . . . ?
C25_11 C24_11 C27_11 O5_11 179.4(7) . . . . ?
C23_11 C24_11 C27_11 O6_11 174.3(9) . . . . ?
C25_11 C24_11 C27_11 O6_11 -6.2(11) . . . . ?
C7_12 C1_12 C2_12 C3_12 -179.6(6) . . . . ?
C6_12 C1_12 C2_12 C3_12 -3.1(9) . . . . ?
C1_12 C2_12 C3_12 C4_12 2.4(9) . . . . ?
C1_12 C2_12 C3_12 C14_12 -177.3(6) . . . . ?
C2_12 C3_12 C4_12 C5_12 -1.5(9) . . . . ?
C14_12 C3_12 C4_12 C5_12 178.2(6) . . . . ?
C3_12 C4_12 C5_12 C6_12 1.6(9) . . . . ?
C3_12 C4_12 C5_12 C21_12 -179.3(6) . . . . ?
C4_12 C5_12 C6_12 C1_12 -2.6(9) . . . . ?
C21_12 C5_12 C6_12 C1_12 178.3(6) . . . . ?
C7_12 C1_12 C6_12 C5_12 179.6(6) . . . . ?
C2_12 C1_12 C6_12 C5_12 3.2(9) . . . . ?
C6_12 C1_12 C7_12 C8_12 158.4(6) . . . . ?
C2_12 C1_12 C7_12 C8_12 -25.5(9) . . . . ?
C6_12 C1_12 C7_12 C12_12 -23.6(9) . . . . ?
C2_12 C1_12 C7_12 C12_12 152.5(6) . . . . ?
C12_12 C7_12 C8_12 C9_12 -0.1(9) . . . . ?
C1_12 C7_12 C8_12 C9_12 178.0(6) . . . . ?
C7_12 C8_12 C9_12 C10_12 -0.6(10) . . . . ?
C8_12 C9_12 C10_12 C11_12 0.2(9) . . . . ?
C8_12 C9_12 C10_12 C13_12 -178.0(6) . . . . ?
C9_12 C10_12 C11_12 C12_12 0.9(9) . . . . ?
C13_12 C10_12 C11_12 C12_12 179.1(6) . . . . ?
C10_12 C11_12 C12_12 C7_12 -1.6(9) . . . . ?
C8_12 C7_12 C12_12 C11_12 1.2(9) . . . . ?
C1_12 C7_12 C12_12 C11_12 -176.9(6) . . . . ?
C9_12 C10_12 C13_12 O1_12 -0.9(9) . . . . ?
C11_12 C10_12 C13_12 O1_12 -179.0(6) . . . . ?
C9_12 C10_12 C13_12 O2_12 176.5(5) . . . . ?
C11_12 C10_12 C13_12 O2_12 -1.6(9) . . . . ?
C4_12 C3_12 C14_12 C15_12 39.3(9) . . . . ?
C2_12 C3_12 C14_12 C15_12 -141.0(6) . . . . ?
C4_12 C3_12 C14_12 C19_12 -140.3(6) . . . . ?
C2_12 C3_12 C14_12 C19_12 39.4(9) . . . . ?
C19_12 C14_12 C15_12 C16_12 -0.5(10) . . . . ?
C3_12 C14_12 C15_12 C16_12 179.9(6) . . . . ?
C14_12 C15_12 C16_12 C17_12 -1.3(10) . . . . ?
C15_12 C16_12 C17_12 C18_12 2.5(10) . . . . ?
C15_12 C16_12 C17_12 C20_12 176.2(6) . . . . ?
C16_12 C17_12 C18_12 C19_12 -2.0(10) . . . . ?
C20_12 C17_12 C18_12 C19_12 -175.8(6) . . . . ?
C17_12 C18_12 C19_12 C14_12 0.3(10) . . . . ?
C15_12 C14_12 C19_12 C18_12 1.0(10) . . . . ?
C3_12 C14_12 C19_12 C18_12 -179.4(6) . . . . ?
C18_12 C17_12 C20_12 O3_12 -177.4(6) . . . . ?
C16_12 C17_12 C20_12 O3_12 9.1(10) . . . . ?
C18_12 C17_12 C20_12 O4_12 -1.0(10) . . . . ?
C16_12 C17_12 C20_12 O4_12 -174.5(6) . . . . ?
C6_12 C5_12 C21_12 C22_12 -31.1(9) . . . . ?
C4_12 C5_12 C21_12 C22_12 149.9(6) . . . . ?
C6_12 C5_12 C21_12 C26_12 142.8(6) . . . . ?
C4_12 C5_12 C21_12 C26_12 -36.3(9) . . . . ?
C26_12 C21_12 C22_12 C23_12 1.9(9) . . . . ?
C5_12 C21_12 C22_12 C23_12 175.9(6) . . . . ?
C21_12 C22_12 C23_12 C24_12 0.1(10) . . . . ?
C22_12 C23_12 C24_12 C25_12 -1.1(10) . . . . ?
C22_12 C23_12 C24_12 C27_12 176.5(6) . . . . ?
C23_12 C24_12 C25_12 C26_12 0.0(10) . . . . ?
C27_12 C24_12 C25_12 C26_12 -177.6(6) . . . . ?
C24_12 C25_12 C26_12 C21_12 2.1(10) . . . . ?
C22_12 C21_12 C26_12 C25_12 -3.0(9) . . . . ?
C5_12 C21_12 C26_12 C25_12 -177.2(6) . . . . ?
C25_12 C24_12 C27_12 O5_12 173.8(6) . . . . ?
C23_12 C24_12 C27_12 O5_12 -3.9(10) . . . . ?
C25_12 C24_12 C27_12 O6_12 -7.5(9) . . . . ?
C23_12 C24_12 C27_12 O6_12 174.8(6) . . . . ?
C6_13 C1_13 C2_13 C3_13 2.2(9) . . . . ?
C7_13 C1_13 C2_13 C3_13 -178.3(5) . . . . ?
C1_13 C2_13 C3_13 C4_13 -0.7(9) . . . . ?
C1_13 C2_13 C3_13 C14_13 179.9(6) . . . . ?
C2_13 C3_13 C4_13 C5_13 -0.7(8) . . . . ?
C14_13 C3_13 C4_13 C5_13 178.7(5) . . . . ?
C3_13 C4_13 C5_13 C6_13 0.4(8) . . . . ?
C3_13 C4_13 C5_13 C21_13 -179.5(5) . . . . ?
C4_13 C5_13 C6_13 C1_13 1.2(9) . . . . ?
C21_13 C5_13 C6_13 C1_13 -178.9(5) . . . . ?
C2_13 C1_13 C6_13 C5_13 -2.5(9) . . . . ?
C7_13 C1_13 C6_13 C5_13 178.1(6) . . . . ?
C2_13 C1_13 C7_13 C8_13 -23.9(9) . . . . ?
C6_13 C1_13 C7_13 C8_13 155.6(6) . . . . ?
C2_13 C1_13 C7_13 C12_13 155.6(6) . . . . ?
C6_13 C1_13 C7_13 C12_13 -24.9(9) . . . . ?
C12_13 C7_13 C8_13 C9_13 -1.2(9) . . . . ?
C1_13 C7_13 C8_13 C9_13 178.3(5) . . . . ?
C7_13 C8_13 C9_13 C10_13 -0.4(9) . . . . ?
C8_13 C9_13 C10_13 C11_13 3.3(9) . . . . ?
C8_13 C9_13 C10_13 C13_13 -177.0(5) . . . . ?
C9_13 C10_13 C11_13 C12_13 -4.6(9) . . . . ?
C13_13 C10_13 C11_13 C12_13 175.7(5) . . . . ?
C10_13 C11_13 C12_13 C7_13 2.9(9) . . . . ?
C8_13 C7_13 C12_13 C11_13 0.0(9) . . . . ?
C1_13 C7_13 C12_13 C11_13 -179.5(5) . . . . ?
C9_13 C10_13 C13_13 O2_13 178.5(6) . . . . ?
C11_13 C10_13 C13_13 O2_13 -1.8(9) . . . . ?
C9_13 C10_13 C13_13 O1_13 0.1(9) . . . . ?
C11_13 C10_13 C13_13 O1_13 179.8(6) . . . . ?
C4_13 C3_13 C14_13 C15_13 37.2(9) . . . . ?
C2_13 C3_13 C14_13 C15_13 -143.5(6) . . . . ?
C4_13 C3_13 C14_13 C19_13 -138.6(6) . . . . ?
C2_13 C3_13 C14_13 C19_13 40.8(8) . . . . ?
C19_13 C14_13 C15_13 C16_13 -4.2(9) . . . . ?
C3_13 C14_13 C15_13 C16_13 179.9(6) . . . . ?
C14_13 C15_13 C16_13 C17_13 4.2(10) . . . . ?
C15_13 C16_13 C17_13 C18_13 -2.5(10) . . . . ?
C15_13 C16_13 C17_13 C20_13 176.1(6) . . . . ?
C16_13 C17_13 C18_13 C19_13 1.0(10) . . . . ?
C20_13 C17_13 C18_13 C19_13 -177.6(6) . . . . ?
C17_13 C18_13 C19_13 C14_13 -1.2(9) . . . . ?
C15_13 C14_13 C19_13 C18_13 2.8(9) . . . . ?
C3_13 C14_13 C19_13 C18_13 178.7(6) . . . . ?
C18_13 C17_13 C20_13 O3_13 -177.0(6) . . . . ?
C16_13 C17_13 C20_13 O3_13 4.4(10) . . . . ?
C18_13 C17_13 C20_13 O4_13 1.9(10) . . . . ?
C16_13 C17_13 C20_13 O4_13 -176.7(7) . . . . ?
C6_13 C5_13 C21_13 C22_13 -29.7(9) . . . . ?
C4_13 C5_13 C21_13 C22_13 150.2(6) . . . . ?
C6_13 C5_13 C21_13 C26_13 148.1(6) . . . . ?
C4_13 C5_13 C21_13 C26_13 -32.0(8) . . . . ?
C26_13 C21_13 C22_13 C23_13 1.9(9) . . . . ?
C5_13 C21_13 C22_13 C23_13 179.8(6) . . . . ?
C21_13 C22_13 C23_13 C24_13 -2.1(9) . . . . ?
C22_13 C23_13 C24_13 C25_13 2.3(10) . . . . ?
C22_13 C23_13 C24_13 C27_13 178.8(6) . . . . ?
C23_13 C24_13 C25_13 C26_13 -2.3(9) . . . . ?
C27_13 C24_13 C25_13 C26_13 -179.0(6) . . . . ?
C24_13 C25_13 C26_13 C21_13 2.2(9) . . . . ?
C22_13 C21_13 C26_13 C25_13 -2.0(9) . . . . ?
C5_13 C21_13 C26_13 C25_13 -179.9(6) . . . . ?
C23_13 C24_13 C27_13 O6_13 -179.2(6) . . . . ?
C25_13 C24_13 C27_13 O6_13 -2.6(10) . . . . ?
C23_13 C24_13 C27_13 O5_13 -0.9(10) . . . . ?
C25_13 C24_13 C27_13 O5_13 175.7(6) . . . . ?
C6_14 C1_14 C2_14 C3_14 2.9(9) . . . . ?
C7_14 C1_14 C2_14 C3_14 -178.8(6) . . . . ?
C1_14 C2_14 C3_14 C4_14 -1.7(9) . . . . ?
C1_14 C2_14 C3_14 C14_14 -178.8(6) . . . . ?
C2_14 C3_14 C4_14 C5_14 0.6(9) . . . . ?
C14_14 C3_14 C4_14 C5_14 177.6(6) . . . . ?
C3_14 C4_14 C5_14 C6_14 -0.8(8) . . . . ?
C3_14 C4_14 C5_14 C21_14 179.6(5) . . . . ?
C4_14 C5_14 C6_14 C1_14 2.0(8) . . . . ?
C21_14 C5_14 C6_14 C1_14 -178.4(5) . . . . ?
C2_14 C1_14 C6_14 C5_14 -3.0(9) . . . . ?
C7_14 C1_14 C6_14 C5_14 178.6(5) . . . . ?
C2_14 C1_14 C7_14 C12_14 153.8(6) . . . . ?
C6_14 C1_14 C7_14 C12_14 -27.9(9) . . . . ?
C2_14 C1_14 C7_14 C8_14 -23.9(9) . . . . ?
C6_14 C1_14 C7_14 C8_14 154.4(6) . . . . ?
C12_14 C7_14 C8_14 C9_14 0.2(9) . . . . ?
C1_14 C7_14 C8_14 C9_14 177.9(5) . . . . ?
C7_14 C8_14 C9_14 C10_14 0.9(9) . . . . ?
C8_14 C9_14 C10_14 C11_14 -0.8(9) . . . . ?
C8_14 C9_14 C10_14 C13_14 -177.6(6) . . . . ?
C9_14 C10_14 C11_14 C12_14 -0.3(9) . . . . ?
C13_14 C10_14 C11_14 C12_14 176.5(5) . . . . ?
C10_14 C11_14 C12_14 C7_14 1.4(9) . . . . ?
C8_14 C7_14 C12_14 C11_14 -1.3(9) . . . . ?
C1_14 C7_14 C12_14 C11_14 -179.0(6) . . . . ?
C9_14 C10_14 C13_14 O2_14 173.4(6) . . . . ?
C11_14 C10_14 C13_14 O2_14 -3.3(9) . . . . ?
C9_14 C10_14 C13_14 O1_14 -6.8(9) . . . . ?
C11_14 C10_14 C13_14 O1_14 176.5(5) . . . . ?
C4_14 C3_14 C14_14 C19_14 -136.4(6) . . . . ?
C2_14 C3_14 C14_14 C19_14 40.5(9) . . . . ?
C4_14 C3_14 C14_14 C15_14 43.1(9) . . . . ?
C2_14 C3_14 C14_14 C15_14 -140.0(6) . . . . ?
C19_14 C14_14 C15_14 C16_14 -0.5(10) . . . . ?
C3_14 C14_14 C15_14 C16_14 -180.0(6) . . . . ?
C14_14 C15_14 C16_14 C17_14 2.6(10) . . . . ?
C15_14 C16_14 C17_14 C18_14 -1.8(11) . . . . ?
C15_14 C16_14 C17_14 C20_14 178.6(6) . . . . ?
C16_14 C17_14 C18_14 C19_14 -1.1(10) . . . . ?
C20_14 C17_14 C18_14 C19_14 178.4(6) . . . . ?
C15_14 C14_14 C19_14 C18_14 -2.5(9) . . . . ?
C3_14 C14_14 C19_14 C18_14 177.0(5) . . . . ?
C17_14 C18_14 C19_14 C14_14 3.3(9) . . . . ?
C18_14 C17_14 C20_14 O3_14 -175.3(7) . . . . ?
C16_14 C17_14 C20_14 O3_14 4.3(11) . . . . ?
C18_14 C17_14 C20_14 O4_14 7.0(9) . . . . ?
C16_14 C17_14 C20_14 O4_14 -173.5(6) . . . . ?
C6_14 C5_14 C21_14 C26_14 148.9(6) . . . . ?
C4_14 C5_14 C21_14 C26_14 -31.5(8) . . . . ?
C6_14 C5_14 C21_14 C22_14 -32.0(9) . . . . ?
C4_14 C5_14 C21_14 C22_14 147.6(6) . . . . ?
C26_14 C21_14 C22_14 C23_14 -0.2(9) . . . . ?
C5_14 C21_14 C22_14 C23_14 -179.3(5) . . . . ?
C21_14 C22_14 C23_14 C24_14 0.3(9) . . . . ?
C22_14 C23_14 C24_14 C25_14 -3.0(10) . . . . ?
C22_14 C23_14 C24_14 C27_14 178.4(6) . . . . ?
C23_14 C24_14 C25_14 C26_14 5.3(10) . . . . ?
C27_14 C24_14 C25_14 C26_14 -176.0(6) . . . . ?
C22_14 C21_14 C26_14 C25_14 2.8(10) . . . . ?
C5_14 C21_14 C26_14 C25_14 -178.1(6) . . . . ?
C24_14 C25_14 C26_14 C21_14 -5.3(10) . . . . ?
C23_14 C24_14 C27_14 O5_14 -7.1(10) . . . . ?
C25_14 C24_14 C27_14 O5_14 174.3(6) . . . . ?
C23_14 C24_14 C27_14 O6_14 171.0(6) . . . . ?
C25_14 C24_14 C27_14 O6_14 -7.7(9) . . . . ?
C6_15 C1_15 C2_15 C3_15 -0.6(9) . . . . ?
C7_15 C1_15 C2_15 C3_15 177.5(6) . . . . ?
C1_15 C2_15 C3_15 C4_15 1.2(9) . . . . ?
C1_15 C2_15 C3_15 C14_15 -179.0(5) . . . . ?
C2_15 C3_15 C4_15 C5_15 -0.9(8) . . . . ?
C14_15 C3_15 C4_15 C5_15 179.4(5) . . . . ?
C3_15 C4_15 C5_15 C6_15 0.0(8) . . . . ?
C3_15 C4_15 C5_15 C21_15 179.5(5) . . . . ?
C4_15 C5_15 C6_15 C1_15 0.7(9) . . . . ?
C21_15 C5_15 C6_15 C1_15 -178.9(5) . . . . ?
C2_15 C1_15 C6_15 C5_15 -0.4(9) . . . . ?
C7_15 C1_15 C6_15 C5_15 -178.5(5) . . . . ?
C2_15 C1_15 C7_15 C12_15 156.3(6) . . . . ?
C6_15 C1_15 C7_15 C12_15 -25.7(9) . . . . ?
C2_15 C1_15 C7_15 C8_15 -25.0(9) . . . . ?
C6_15 C1_15 C7_15 C8_15 153.0(6) . . . . ?
C12_15 C7_15 C8_15 C9_15 0.0(9) . . . . ?
C1_15 C7_15 C8_15 C9_15 -178.7(5) . . . . ?
C7_15 C8_15 C9_15 C10_15 1.8(8) . . . . ?
C8_15 C9_15 C10_15 C11_15 -1.5(8) . . . . ?
C8_15 C9_15 C10_15 C13_15 175.4(5) . . . . ?
C9_15 C10_15 C11_15 C12_15 -0.7(9) . . . . ?
C13_15 C10_15 C11_15 C12_15 -177.5(6) . . . . ?
C10_15 C11_15 C12_15 C7_15 2.6(10) . . . . ?
C8_15 C7_15 C12_15 C11_15 -2.2(10) . . . . ?
C1_15 C7_15 C12_15 C11_15 176.5(6) . . . . ?
C11_15 C10_15 C13_15 O1_15 179.9(6) . . . . ?
C9_15 C10_15 C13_15 O1_15 3.1(9) . . . . ?
C11_15 C10_15 C13_15 O2_15 -3.9(9) . . . . ?
C9_15 C10_15 C13_15 O2_15 179.3(5) . . . . ?
C2_15 C3_15 C14_15 C19_15 -32.0(9) . . . . ?
C4_15 C3_15 C14_15 C19_15 147.8(6) . . . . ?
C2_15 C3_15 C14_15 C15_15 145.6(6) . . . . ?
C4_15 C3_15 C14_15 C15_15 -34.7(8) . . . . ?
C19_15 C14_15 C15_15 C16_15 0.1(9) . . . . ?
C3_15 C14_15 C15_15 C16_15 -177.5(6) . . . . ?
C14_15 C15_15 C16_15 C17_15 -1.3(10) . . . . ?
C15_15 C16_15 C17_15 C18_15 1.4(10) . . . . ?
C15_15 C16_15 C17_15 C20_15 -178.4(6) . . . . ?
C16_15 C17_15 C18_15 C19_15 -0.3(9) . . . . ?
C20_15 C17_15 C18_15 C19_15 179.4(6) . . . . ?
C15_15 C14_15 C19_15 C18_15 0.9(9) . . . . ?
C3_15 C14_15 C19_15 C18_15 178.5(5) . . . . ?
C17_15 C18_15 C19_15 C14_15 -0.8(9) . . . . ?
C18_15 C17_15 C20_15 O3_15 173.9(6) . . . . ?
C16_15 C17_15 C20_15 O3_15 -6.3(10) . . . . ?
C18_15 C17_15 C20_15 O4_15 -7.6(10) . . . . ?
C16_15 C17_15 C20_15 O4_15 172.2(6) . . . . ?
C6_15 C5_15 C21_15 C22_15 37.5(8) . . . . ?
C4_15 C5_15 C21_15 C22_15 -142.0(6) . . . . ?
C6_15 C5_15 C21_15 C26_15 -142.2(6) . . . . ?
C4_15 C5_15 C21_15 C26_15 38.3(8) . . . . ?
C26_15 C21_15 C22_15 C23_15 1.1(9) . . . . ?
C5_15 C21_15 C22_15 C23_15 -178.6(6) . . . . ?
C21_15 C22_15 C23_15 C24_15 -2.4(10) . . . . ?
C22_15 C23_15 C24_15 C25_15 2.1(10) . . . . ?
C22_15 C23_15 C24_15 C27_15 -176.6(6) . . . . ?
C23_15 C24_15 C25_15 C26_15 -0.6(10) . . . . ?
C27_15 C24_15 C25_15 C26_15 178.1(6) . . . . ?
C24_15 C25_15 C26_15 C21_15 -0.7(10) . . . . ?
C22_15 C21_15 C26_15 C25_15 0.4(9) . . . . ?
C5_15 C21_15 C26_15 C25_15 -179.8(6) . . . . ?
C25_15 C24_15 C27_15 O5_15 -175.6(7) . . . . ?
C23_15 C24_15 C27_15 O5_15 3.1(10) . . . . ?
C25_15 C24_15 C27_15 O6_15 8.9(9) . . . . ?
C23_15 C24_15 C27_15 O6_15 -172.4(6) . . . . ?
C6_16 C1_16 C2_16 C3_16 1.3(8) . . . . ?
C7_16 C1_16 C2_16 C3_16 -177.8(5) . . . . ?
C1_16 C2_16 C3_16 C4_16 0.0(9) . . . . ?
C1_16 C2_16 C3_16 C14_16 -179.7(5) . . . . ?
C2_16 C3_16 C4_16 C5_16 -2.4(8) . . . . ?
C14_16 C3_16 C4_16 C5_16 177.3(5) . . . . ?
C3_16 C4_16 C5_16 C6_16 3.5(8) . . . . ?
C3_16 C4_16 C5_16 C21_16 -179.8(5) . . . . ?
C4_16 C5_16 C6_16 C1_16 -2.3(9) . . . . ?
C21_16 C5_16 C6_16 C1_16 -178.9(6) . . . . ?
C2_16 C1_16 C6_16 C5_16 -0.1(9) . . . . ?
C7_16 C1_16 C6_16 C5_16 178.9(6) . . . . ?
C6_16 C1_16 C7_16 C8_16 157.1(6) . . . . ?
C2_16 C1_16 C7_16 C8_16 -23.9(9) . . . . ?
C6_16 C1_16 C7_16 C12_16 -22.2(9) . . . . ?
C2_16 C1_16 C7_16 C12_16 156.8(5) . . . . ?
C12_16 C7_16 C8_16 C9_16 -1.3(9) . . . . ?
C1_16 C7_16 C8_16 C9_16 179.4(5) . . . . ?
C7_16 C8_16 C9_16 C10_16 0.7(9) . . . . ?
C8_16 C9_16 C10_16 C11_16 2.1(8) . . . . ?
C8_16 C9_16 C10_16 C13_16 -177.3(5) . . . . ?
C9_16 C10_16 C11_16 C12_16 -4.3(9) . . . . ?
C13_16 C10_16 C11_16 C12_16 175.2(5) . . . . ?
C10_16 C11_16 C12_16 C7_16 3.6(9) . . . . ?
C8_16 C7_16 C12_16 C11_16 -0.8(9) . . . . ?
C1_16 C7_16 C12_16 C11_16 178.5(6) . . . . ?
C9_16 C10_16 C13_16 O2_16 178.8(5) . . . . ?
C11_16 C10_16 C13_16 O2_16 -0.6(8) . . . . ?
C9_16 C10_16 C13_16 O1_16 -3.8(8) . . . . ?
C11_16 C10_16 C13_16 O1_16 176.8(5) . . . . ?
C4_16 C3_16 C14_16 C15_16 37.4(8) . . . . ?
C2_16 C3_16 C14_16 C15_16 -142.9(6) . . . . ?
C4_16 C3_16 C14_16 C19_16 -142.4(6) . . . . ?
C2_16 C3_16 C14_16 C19_16 37.3(8) . . . . ?
C19_16 C14_16 C15_16 C16_16 -0.6(9) . . . . ?
C3_16 C14_16 C15_16 C16_16 179.6(5) . . . . ?
C14_16 C15_16 C16_16 C17_16 3.5(9) . . . . ?
C15_16 C16_16 C17_16 C18_16 -4.3(9) . . . . ?
C15_16 C16_16 C17_16 C20_16 176.5(6) . . . . ?
C16_16 C17_16 C18_16 C19_16 2.3(9) . . . . ?
C20_16 C17_16 C18_16 C19_16 -178.4(6) . . . . ?
C17_16 C18_16 C19_16 C14_16 0.6(9) . . . . ?
C15_16 C14_16 C19_16 C18_16 -1.4(9) . . . . ?
C3_16 C14_16 C19_16 C18_16 178.4(5) . . . . ?
C16_16 C17_16 C20_16 O4_16 -179.0(6) . . . . ?
C18_16 C17_16 C20_16 O4_16 1.7(10) . . . . ?
C16_16 C17_16 C20_16 O3_16 1.1(10) . . . . ?
C18_16 C17_16 C20_16 O3_16 -178.1(6) . . . . ?
C6_16 C5_16 C21_16 C26_16 146.0(6) . . . . ?
C4_16 C5_16 C21_16 C26_16 -30.6(9) . . . . ?
C6_16 C5_16 C21_16 C22_16 -35.8(9) . . . . ?
C4_16 C5_16 C21_16 C22_16 147.6(6) . . . . ?
C26_16 C21_16 C22_16 C23_16 -1.7(10) . . . . ?
C5_16 C21_16 C22_16 C23_16 -180.0(6) . . . . ?
C21_16 C22_16 C23_16 C24_16 1.0(10) . . . . ?
C22_16 C23_16 C24_16 C25_16 -0.3(10) . . . . ?
C22_16 C23_16 C24_16 C27_16 179.7(6) . . . . ?
C23_16 C24_16 C25_16 C26_16 0.4(10) . . . . ?
C27_16 C24_16 C25_16 C26_16 -179.6(6) . . . . ?
C24_16 C25_16 C26_16 C21_16 -1.2(10) . . . . ?
C22_16 C21_16 C26_16 C25_16 1.9(10) . . . . ?
C5_16 C21_16 C26_16 C25_16 -179.9(6) . . . . ?
C25_16 C24_16 C27_16 O6_16 -3.3(10) . . . . ?
C23_16 C24_16 C27_16 O6_16 176.7(6) . . . . ?
C25_16 C24_16 C27_16 O5_16 174.2(6) . . . . ?
C23_16 C24_16 C27_16 O5_16 -5.8(9) . . . . ?
C6_17 C1_17 C2_17 C3_17 0.0(8) . . . . ?
C7_17 C1_17 C2_17 C3_17 -178.8(5) . . . . ?
C1_17 C2_17 C3_17 C4_17 1.7(8) . . . . ?
C1_17 C2_17 C3_17 C14_17 -179.3(5) . . . . ?
C2_17 C3_17 C4_17 C5_17 -2.0(9) . . . . ?
C14_17 C3_17 C4_17 C5_17 179.1(6) . . . . ?
C3_17 C4_17 C5_17 C6_17 0.6(9) . . . . ?
C3_17 C4_17 C5_17 C21_17 -177.5(6) . . . . ?
C2_17 C1_17 C6_17 C5_17 -1.4(8) . . . . ?
C7_17 C1_17 C6_17 C5_17 177.3(5) . . . . ?
C4_17 C5_17 C6_17 C1_17 1.1(8) . . . . ?
C21_17 C5_17 C6_17 C1_17 179.3(5) . . . . ?
C2_17 C1_17 C7_17 C12_17 156.4(6) . . . . ?
C6_17 C1_17 C7_17 C12_17 -22.3(8) . . . . ?
C2_17 C1_17 C7_17 C8_17 -27.2(8) . . . . ?
C6_17 C1_17 C7_17 C8_17 154.1(5) . . . . ?
C12_17 C7_17 C8_17 C9_17 -3.6(9) . . . . ?
C1_17 C7_17 C8_17 C9_17 179.9(5) . . . . ?
C7_17 C8_17 C9_17 C10_17 0.2(9) . . . . ?
C8_17 C9_17 C10_17 C11_17 4.5(9) . . . . ?
C8_17 C9_17 C10_17 C13_17 -178.8(5) . . . . ?
C9_17 C10_17 C11_17 C12_17 -5.5(10) . . . . ?
C13_17 C10_17 C11_17 C12_17 177.8(5) . . . . ?
C8_17 C7_17 C12_17 C11_17 2.7(8) . . . . ?
C1_17 C7_17 C12_17 C11_17 179.1(5) . . . . ?
C10_17 C11_17 C12_17 C7_17 1.8(9) . . . . ?
C11_17 C10_17 C13_17 O2_17 -4.2(9) . . . . ?
C9_17 C10_17 C13_17 O2_17 179.1(5) . . . . ?
C11_17 C10_17 C13_17 O1_17 179.6(6) . . . . ?
C9_17 C10_17 C13_17 O1_17 2.8(8) . . . . ?
C4_17 C3_17 C14_17 C19_17 -136.6(6) . . . . ?
C2_17 C3_17 C14_17 C19_17 44.5(8) . . . . ?
C4_17 C3_17 C14_17 C15_17 38.5(8) . . . . ?
C2_17 C3_17 C14_17 C15_17 -140.5(6) . . . . ?
C19_17 C14_17 C15_17 C16_17 -2.2(9) . . . . ?
C3_17 C14_17 C15_17 C16_17 -177.5(5) . . . . ?
C14_17 C15_17 C16_17 C17_17 1.8(9) . . . . ?
C15_17 C16_17 C17_17 C18_17 -1.2(9) . . . . ?
C15_17 C16_17 C17_17 C20_17 177.8(6) . . . . ?
C16_17 C17_17 C18_17 C19_17 1.0(10) . . . . ?
C20_17 C17_17 C18_17 C19_17 -178.0(6) . . . . ?
C15_17 C14_17 C19_17 C18_17 1.9(9) . . . . ?
C3_17 C14_17 C19_17 C18_17 177.1(6) . . . . ?
C17_17 C18_17 C19_17 C14_17 -1.4(10) . . . . ?
C18_17 C17_17 C20_17 O3_17 -175.9(6) . . . . ?
C16_17 C17_17 C20_17 O3_17 5.1(10) . . . . ?
C18_17 C17_17 C20_17 O4_17 4.2(10) . . . . ?
C16_17 C17_17 C20_17 O4_17 -174.8(6) . . . . ?
C4_17 C5_17 C21_17 C22_17 146.8(6) . . . . ?
C6_17 C5_17 C21_17 C22_17 -31.3(9) . . . . ?
C4_17 C5_17 C21_17 C26_17 -34.1(9) . . . . ?
C6_17 C5_17 C21_17 C26_17 147.8(6) . . . . ?
C5_17 C21_17 C22_17 C23_17 177.6(6) . . . . ?
C26_17 C21_17 C22_17 C23_17 -1.5(9) . . . . ?
C21_17 C22_17 C23_17 C24_17 4.4(9) . . . . ?
C22_17 C23_17 C24_17 C25_17 -3.1(9) . . . . ?
C22_17 C23_17 C24_17 C27_17 176.8(6) . . . . ?
C23_17 C24_17 C25_17 C26_17 -1.0(9) . . . . ?
C27_17 C24_17 C25_17 C26_17 179.1(6) . . . . ?
C24_17 C25_17 C26_17 C21_17 3.8(9) . . . . ?
C22_17 C21_17 C26_17 C25_17 -2.6(9) . . . . ?
C5_17 C21_17 C26_17 C25_17 178.3(6) . . . . ?
C23_17 C24_17 C27_17 O6_17 177.8(6) . . . . ?
C25_17 C24_17 C27_17 O6_17 -2.3(9) . . . . ?
C23_17 C24_17 C27_17 O5_17 -3.7(10) . . . . ?
C25_17 C24_17 C27_17 O5_17 176.2(6) . . . . ?
C6_18 C1_18 C2_18 C3_18 2.0(8) . . . . ?
C7_18 C1_18 C2_18 C3_18 -176.4(5) . . . . ?
C1_18 C2_18 C3_18 C4_18 -4.2(8) . . . . ?
C1_18 C2_18 C3_18 C14_18 179.5(5) . . . . ?
C2_18 C3_18 C4_18 C5_18 1.6(8) . . . . ?
C14_18 C3_18 C4_18 C5_18 177.8(5) . . . . ?
C3_18 C4_18 C5_18 C6_18 2.9(8) . . . . ?
C3_18 C4_18 C5_18 C21_18 -178.7(5) . . . . ?
C2_18 C1_18 C6_18 C5_18 2.9(8) . . . . ?
C7_18 C1_18 C6_18 C5_18 -178.8(5) . . . . ?
C4_18 C5_18 C6_18 C1_18 -5.4(8) . . . . ?
C21_18 C5_18 C6_18 C1_18 176.3(5) . . . . ?
C6_18 C1_18 C7_18 C8_18 158.8(5) . . . . ?
C2_18 C1_18 C7_18 C8_18 -23.0(8) . . . . ?
C6_18 C1_18 C7_18 C12_18 -22.4(8) . . . . ?
C2_18 C1_18 C7_18 C12_18 155.8(5) . . . . ?
C12_18 C7_18 C8_18 C9_18 -1.0(8) . . . . ?
C1_18 C7_18 C8_18 C9_18 177.9(5) . . . . ?
C7_18 C8_18 C9_18 C10_18 2.2(9) . . . . ?
C8_18 C9_18 C10_18 C11_18 -1.6(8) . . . . ?
C8_18 C9_18 C10_18 C13_18 -179.1(5) . . . . ?
C9_18 C10_18 C11_18 C12_18 -0.2(9) . . . . ?
C13_18 C10_18 C11_18 C12_18 177.4(5) . . . . ?
C10_18 C11_18 C12_18 C7_18 1.5(9) . . . . ?
C8_18 C7_18 C12_18 C11_18 -0.8(9) . . . . ?
C1_18 C7_18 C12_18 C11_18 -179.7(5) . . . . ?
C9_18 C10_18 C13_18 O2_18 175.3(6) . . . . ?
C11_18 C10_18 C13_18 O2_18 -2.1(9) . . . . ?
C9_18 C10_18 C13_18 O1_18 -6.3(9) . . . . ?
C11_18 C10_18 C13_18 O1_18 176.2(5) . . . . ?
C4_18 C3_18 C14_18 C19_18 -134.2(6) . . . . ?
C2_18 C3_18 C14_18 C19_18 41.9(8) . . . . ?
C4_18 C3_18 C14_18 C15_18 47.9(8) . . . . ?
C2_18 C3_18 C14_18 C15_18 -135.9(6) . . . . ?
C19_18 C14_18 C15_18 C16_18 3.2(9) . . . . ?
C3_18 C14_18 C15_18 C16_18 -178.9(6) . . . . ?
C14_18 C15_18 C16_18 C17_18 -0.9(10) . . . . ?
C15_18 C16_18 C17_18 C18_18 -0.3(10) . . . . ?
C15_18 C16_18 C17_18 C20_18 179.0(6) . . . . ?
C16_18 C17_18 C18_18 C19_18 -1.0(9) . . . . ?
C20_18 C17_18 C18_18 C19_18 179.7(6) . . . . ?
C15_18 C14_18 C19_18 C18_18 -4.4(9) . . . . ?
C3_18 C14_18 C19_18 C18_18 177.7(5) . . . . ?
C17_18 C18_18 C19_18 C14_18 3.4(9) . . . . ?
C16_18 C17_18 C20_18 O4_18 -173.5(7) . . . . ?
C18_18 C17_18 C20_18 O4_18 5.8(10) . . . . ?
C16_18 C17_18 C20_18 O3_18 7.5(10) . . . . ?
C18_18 C17_18 C20_18 O3_18 -173.2(6) . . . . ?
C4_18 C5_18 C21_18 C26_18 -27.2(8) . . . . ?
C6_18 C5_18 C21_18 C26_18 151.1(6) . . . . ?
C4_18 C5_18 C21_18 C22_18 151.1(6) . . . . ?
C6_18 C5_18 C21_18 C22_18 -30.6(8) . . . . ?
C26_18 C21_18 C22_18 C23_18 0.4(9) . . . . ?
C5_18 C21_18 C22_18 C23_18 -177.8(5) . . . . ?
C21_18 C22_18 C23_18 C24_18 -1.2(9) . . . . ?
C22_18 C23_18 C24_18 C25_18 0.6(9) . . . . ?
C22_18 C23_18 C24_18 C27_18 -179.7(6) . . . . ?
C23_18 C24_18 C25_18 C26_18 0.7(9) . . . . ?
C27_18 C24_18 C25_18 C26_18 -179.1(6) . . . . ?
C22_18 C21_18 C26_18 C25_18 0.9(10) . . . . ?
C5_18 C21_18 C26_18 C25_18 179.2(6) . . . . ?
C24_18 C25_18 C26_18 C21_18 -1.4(10) . . . . ?
C23_18 C24_18 C27_18 O6_18 175.1(6) . . . . ?
C25_18 C24_18 C27_18 O6_18 -5.2(9) . . . . ?
C23_18 C24_18 C27_18 O5_18 -10.6(9) . . . . ?
C25_18 C24_18 C27_18 O5_18 169.1(6) . . . . ?
C6_19 C1_19 C2_19 C3_19 -0.3(9) . . . . ?
C7_19 C1_19 C2_19 C3_19 178.2(5) . . . . ?
C1_19 C2_19 C3_19 C4_19 0.2(8) . . . . ?
C1_19 C2_19 C3_19 C14_19 178.6(5) . . . . ?
C2_19 C3_19 C4_19 C5_19 -0.4(9) . . . . ?
C14_19 C3_19 C4_19 C5_19 -178.8(6) . . . . ?
C3_19 C4_19 C5_19 C6_19 0.6(9) . . . . ?
C3_19 C4_19 C5_19 C21_19 179.9(6) . . . . ?
C2_19 C1_19 C6_19 C5_19 0.6(9) . . . . ?
C7_19 C1_19 C6_19 C5_19 -178.0(5) . . . . ?
C4_19 C5_19 C6_19 C1_19 -0.7(9) . . . . ?
C21_19 C5_19 C6_19 C1_19 179.9(6) . . . . ?
C2_19 C1_19 C7_19 C8_19 -25.4(8) . . . . ?
C6_19 C1_19 C7_19 C8_19 153.1(6) . . . . ?
C2_19 C1_19 C7_19 C12_19 158.6(6) . . . . ?
C6_19 C1_19 C7_19 C12_19 -22.9(8) . . . . ?
C12_19 C7_19 C8_19 C9_19 -4.1(8) . . . . ?
C1_19 C7_19 C8_19 C9_19 179.8(5) . . . . ?
C7_19 C8_19 C9_19 C10_19 4.7(9) . . . . ?
C8_19 C9_19 C10_19 C11_19 -3.9(9) . . . . ?
C8_19 C9_19 C10_19 C13_19 178.9(5) . . . . ?
C9_19 C10_19 C11_19 C12_19 2.6(9) . . . . ?
C13_19 C10_19 C11_19 C12_19 179.7(5) . . . . ?
C8_19 C7_19 C12_19 C11_19 2.7(8) . . . . ?
C1_19 C7_19 C12_19 C11_19 178.8(5) . . . . ?
C10_19 C11_19 C12_19 C7_19 -2.0(9) . . . . ?
C11_19 C10_19 C13_19 O1_19 177.1(6) . . . . ?
C9_19 C10_19 C13_19 O1_19 -5.8(9) . . . . ?
C11_19 C10_19 C13_19 O2_19 0.5(8) . . . . ?
C9_19 C10_19 C13_19 O2_19 177.6(5) . . . . ?
C4_19 C3_19 C14_19 C15_19 -29.2(9) . . . . ?
C2_19 C3_19 C14_19 C15_19 152.5(6) . . . . ?
C4_19 C3_19 C14_19 C19_19 148.9(6) . . . . ?
C2_19 C3_19 C14_19 C19_19 -29.4(8) . . . . ?
C19_19 C14_19 C15_19 C16_19 3.3(10) . . . . ?
C3_19 C14_19 C15_19 C16_19 -178.6(6) . . . . ?
C14_19 C15_19 C16_19 C17_19 -5.0(10) . . . . ?
C15_19 C16_19 C17_19 C18_19 2.7(10) . . . . ?
C15_19 C16_19 C17_19 C20_19 -179.0(6) . . . . ?
C16_19 C17_19 C18_19 C19_19 1.1(10) . . . . ?
C20_19 C17_19 C18_19 C19_19 -177.0(6) . . . . ?
C17_19 C18_19 C19_19 C14_19 -2.9(10) . . . . ?
C15_19 C14_19 C19_19 C18_19 0.6(9) . . . . ?
C3_19 C14_19 C19_19 C18_19 -177.5(5) . . . . ?
C18_19 C17_19 C20_19 O3_19 171.5(6) . . . . ?
C16_19 C17_19 C20_19 O3_19 -6.7(10) . . . . ?
C18_19 C17_19 C20_19 O4_19 -12.2(10) . . . . ?
C16_19 C17_19 C20_19 O4_19 169.6(6) . . . . ?
C4_19 C5_19 C21_19 C26_19 45.5(9) . . . . ?
C6_19 C5_19 C21_19 C26_19 -135.2(6) . . . . ?
C4_19 C5_19 C21_19 C22_19 -134.7(6) . . . . ?
C6_19 C5_19 C21_19 C22_19 44.6(9) . . . . ?
C26_19 C21_19 C22_19 C23_19 -1.6(9) . . . . ?
C5_19 C21_19 C22_19 C23_19 178.5(6) . . . . ?
C21_19 C22_19 C23_19 C24_19 0.3(9) . . . . ?
C22_19 C23_19 C24_19 C25_19 0.4(10) . . . . ?
C22_19 C23_19 C24_19 C27_19 -179.7(6) . . . . ?
C23_19 C24_19 C25_19 C26_19 0.2(10) . . . . ?
C27_19 C24_19 C25_19 C26_19 -179.8(6) . . . . ?
C22_19 C21_19 C26_19 C25_19 2.3(9) . . . . ?
C5_19 C21_19 C26_19 C25_19 -177.9(6) . . . . ?
C24_19 C25_19 C26_19 C21_19 -1.6(9) . . . . ?
C23_19 C24_19 C27_19 O5_19 9.2(10) . . . . ?
C25_19 C24_19 C27_19 O5_19 -170.8(6) . . . . ?
C23_19 C24_19 C27_19 O6_19 -174.9(6) . . . . ?
C25_19 C24_19 C27_19 O6_19 5.1(9) . . . . ?
C6_20 C1_20 C2_20 C3_20 -2.6(9) . . . . ?
C7_20 C1_20 C2_20 C3_20 176.2(5) . . . . ?
C1_20 C2_20 C3_20 C4_20 3.6(9) . . . . ?
C1_20 C2_20 C3_20 C14_20 -179.6(5) . . . . ?
C2_20 C3_20 C4_20 C5_20 -4.1(9) . . . . ?
C14_20 C3_20 C4_20 C5_20 179.0(5) . . . . ?
C3_20 C4_20 C5_20 C6_20 3.7(9) . . . . ?
C3_20 C4_20 C5_20 C21_20 -179.1(6) . . . . ?
C4_20 C5_20 C6_20 C1_20 -2.9(9) . . . . ?
C21_20 C5_20 C6_20 C1_20 179.9(6) . . . . ?
C2_20 C1_20 C6_20 C5_20 2.3(9) . . . . ?
C7_20 C1_20 C6_20 C5_20 -176.5(5) . . . . ?
C6_20 C1_20 C7_20 C12_20 -23.3(9) . . . . ?
C2_20 C1_20 C7_20 C12_20 157.9(6) . . . . ?
C6_20 C1_20 C7_20 C8_20 155.7(6) . . . . ?
C2_20 C1_20 C7_20 C8_20 -23.1(8) . . . . ?
C12_20 C7_20 C8_20 C9_20 -1.9(9) . . . . ?
C1_20 C7_20 C8_20 C9_20 179.1(5) . . . . ?
C7_20 C8_20 C9_20 C10_20 2.9(9) . . . . ?
C8_20 C9_20 C10_20 C11_20 -2.3(10) . . . . ?
C8_20 C9_20 C10_20 C13_20 174.9(6) . . . . ?
C9_20 C10_20 C11_20 C12_20 0.7(9) . . . . ?
C13_20 C10_20 C11_20 C12_20 -176.3(6) . . . . ?
C8_20 C7_20 C12_20 C11_20 0.5(9) . . . . ?
C1_20 C7_20 C12_20 C11_20 179.4(5) . . . . ?
C10_20 C11_20 C12_20 C7_20 0.1(9) . . . . ?
C11_20 C10_20 C13_20 O1_20 177.5(6) . . . . ?
C9_20 C10_20 C13_20 O1_20 0.5(9) . . . . ?
C11_20 C10_20 C13_20 O2_20 -1.7(9) . . . . ?
C9_20 C10_20 C13_20 O2_20 -178.8(6) . . . . ?
C2_20 C3_20 C14_20 C15_20 149.2(6) . . . . ?
C4_20 C3_20 C14_20 C15_20 -34.0(8) . . . . ?
C2_20 C3_20 C14_20 C19_20 -29.6(8) . . . . ?
C4_20 C3_20 C14_20 C19_20 147.2(6) . . . . ?
C19_20 C14_20 C15_20 C16_20 -0.9(9) . . . . ?
C3_20 C14_20 C15_20 C16_20 -179.7(5) . . . . ?
C14_20 C15_20 C16_20 C17_20 -1.7(9) . . . . ?
C15_20 C16_20 C17_20 C18_20 4.3(9) . . . . ?
C15_20 C16_20 C17_20 C20_20 178.9(6) . . . . ?
C16_20 C17_20 C18_20 C19_20 -4.4(10) . . . . ?
C20_20 C17_20 C18_20 C19_20 -178.9(6) . . . . ?
C17_20 C18_20 C19_20 C14_20 1.7(9) . . . . ?
C15_20 C14_20 C19_20 C18_20 0.9(9) . . . . ?
C3_20 C14_20 C19_20 C18_20 179.7(5) . . . . ?
C18_20 C17_20 C20_20 O3_20 178.8(6) . . . . ?
C16_20 C17_20 C20_20 O3_20 4.2(10) . . . . ?
C18_20 C17_20 C20_20 O4_20 -8.1(10) . . . . ?
C16_20 C17_20 C20_20 O4_20 177.3(6) . . . . ?
C6_20 C5_20 C21_20 C26_20 -139.0(6) . . . . ?
C4_20 C5_20 C21_20 C26_20 43.9(9) . . . . ?
C6_20 C5_20 C21_20 C22_20 40.8(9) . . . . ?
C4_20 C5_20 C21_20 C22_20 -136.3(6) . . . . ?
C26_20 C21_20 C22_20 C23_20 -0.8(9) . . . . ?
C5_20 C21_20 C22_20 C23_20 179.4(5) . . . . ?
C21_20 C22_20 C23_20 C24_20 -0.7(9) . . . . ?
C22_20 C23_20 C24_20 C25_20 -0.7(9) . . . . ?
C22_20 C23_20 C24_20 C27_20 -176.8(6) . . . . ?
C23_20 C24_20 C25_20 C26_20 3.6(10) . . . . ?
C27_20 C24_20 C25_20 C26_20 179.6(6) . . . . ?
C22_20 C21_20 C26_20 C25_20 3.9(9) . . . . ?
C5_20 C21_20 C26_20 C25_20 -176.4(6) . . . . ?
C24_20 C25_20 C26_20 C21_20 -5.2(10) . . . . ?
C23_20 C24_20 C27_20 O5_20 4.3(11) . . . . ?
C25_20 C24_20 C27_20 O5_20 -171.7(7) . . . . ?
C23_20 C24_20 C27_20 O6_20 -176.9(6) . . . . ?
C25_20 C24_20 C27_20 O6_20 7.1(10) . . . . ?
C6_21 C1_21 C2_21 C3_21 1.5(9) . . . . ?
C7_21 C1_21 C2_21 C3_21 178.6(5) . . . . ?
C1_21 C2_21 C3_21 C4_21 1.3(9) . . . . ?
C1_21 C2_21 C3_21 C14_21 179.3(5) . . . . ?
C2_21 C3_21 C4_21 C5_21 -2.8(9) . . . . ?
C14_21 C3_21 C4_21 C5_21 179.2(5) . . . . ?
C3_21 C4_21 C5_21 C6_21 1.5(9) . . . . ?
C3_21 C4_21 C5_21 C21_21 178.8(6) . . . . ?
C2_21 C1_21 C6_21 C5_21 -2.8(9) . . . . ?
C7_21 C1_21 C6_21 C5_21 -179.9(5) . . . . ?
C4_21 C5_21 C6_21 C1_21 1.3(9) . . . . ?
C21_21 C5_21 C6_21 C1_21 -175.9(5) . . . . ?
C6_21 C1_21 C7_21 C12_21 -23.0(9) . . . . ?
C2_21 C1_21 C7_21 C12_21 160.0(6) . . . . ?
C6_21 C1_21 C7_21 C8_21 151.5(6) . . . . ?
C2_21 C1_21 C7_21 C8_21 -25.5(8) . . . . ?
C12_21 C7_21 C8_21 C9_21 -5.6(9) . . . . ?
C1_21 C7_21 C8_21 C9_21 179.9(5) . . . . ?
C7_21 C8_21 C9_21 C10_21 6.0(9) . . . . ?
C8_21 C9_21 C10_21 C11_21 -4.2(9) . . . . ?
C8_21 C9_21 C10_21 C13_21 175.3(6) . . . . ?
C9_21 C10_21 C11_21 C12_21 2.0(9) . . . . ?
C13_21 C10_21 C11_21 C12_21 -177.5(6) . . . . ?
C8_21 C7_21 C12_21 C11_21 3.4(9) . . . . ?
C1_21 C7_21 C12_21 C11_21 177.9(5) . . . . ?
C10_21 C11_21 C12_21 C7_21 -1.6(9) . . . . ?
C11_21 C10_21 C13_21 O2_21 -0.3(9) . . . . ?
C9_21 C10_21 C13_21 O2_21 -179.8(6) . . . . ?
C11_21 C10_21 C13_21 O1_21 -179.5(6) . . . . ?
C9_21 C10_21 C13_21 O1_21 1.0(9) . . . . ?
C2_21 C3_21 C14_21 C15_21 147.6(6) . . . . ?
C4_21 C3_21 C14_21 C15_21 -34.4(8) . . . . ?
C2_21 C3_21 C14_21 C19_21 -32.1(8) . . . . ?
C4_21 C3_21 C14_21 C19_21 145.9(6) . . . . ?
C19_21 C14_21 C15_21 C16_21 2.0(9) . . . . ?
C3_21 C14_21 C15_21 C16_21 -177.7(5) . . . . ?
C14_21 C15_21 C16_21 C17_21 -4.6(9) . . . . ?
C15_21 C16_21 C17_21 C18_21 6.3(10) . . . . ?
C15_21 C16_21 C17_21 C20_21 179.5(6) . . . . ?
C16_21 C17_21 C18_21 C19_21 -5.4(10) . . . . ?
C20_21 C17_21 C18_21 C19_21 -178.3(6) . . . . ?
C15_21 C14_21 C19_21 C18_21 -0.9(9) . . . . ?
C3_21 C14_21 C19_21 C18_21 178.7(5) . . . . ?
C17_21 C18_21 C19_21 C14_21 2.7(9) . . . . ?
C18_21 C17_21 C20_21 O4_21 -10.4(10) . . . . ?
C16_21 C17_21 C20_21 O4_21 176.7(6) . . . . ?
C18_21 C17_21 C20_21 O3_21 175.7(6) . . . . ?
C16_21 C17_21 C20_21 O3_21 2.7(9) . . . . ?
C6_21 C5_21 C21_21 C22_21 37.5(9) . . . . ?
C4_21 C5_21 C21_21 C22_21 -139.8(6) . . . . ?
C6_21 C5_21 C21_21 C26_21 -138.6(6) . . . . ?
C4_21 C5_21 C21_21 C26_21 44.2(8) . . . . ?
C26_21 C21_21 C22_21 C23_21 -1.1(9) . . . . ?
C5_21 C21_21 C22_21 C23_21 -177.3(6) . . . . ?
C21_21 C22_21 C23_21 C24_21 -1.2(10) . . . . ?
C22_21 C23_21 C24_21 C25_21 -0.5(9) . . . . ?
C22_21 C23_21 C24_21 C27_21 -175.0(6) . . . . ?
C23_21 C24_21 C25_21 C26_21 4.7(9) . . . . ?
C27_21 C24_21 C25_21 C26_21 178.9(6) . . . . ?
C24_21 C25_21 C26_21 C21_21 -7.1(9) . . . . ?
C22_21 C21_21 C26_21 C25_21 5.3(9) . . . . ?
C5_21 C21_21 C26_21 C25_21 -178.6(5) . . . . ?
C25_21 C24_21 C27_21 O5_21 -177.2(6) . . . . ?
C23_21 C24_21 C27_21 O5_21 -3.0(10) . . . . ?
C25_21 C24_21 C27_21 O6_21 7.4(10) . . . . ?
C23_21 C24_21 C27_21 O6_21 -178.4(6) . . . . ?
C6_22 C1_22 C2_22 C3_22 0.1(9) . . . . ?
C7_22 C1_22 C2_22 C3_22 178.2(6) . . . . ?
C1_22 C2_22 C3_22 C4_22 3.0(10) . . . . ?
C1_22 C2_22 C3_22 C14_22 176.9(6) . . . . ?
C2_22 C3_22 C4_22 C5_22 -7.0(10) . . . . ?
C14_22 C3_22 C4_22 C5_22 179.4(6) . . . . ?
C3_22 C4_22 C5_22 C6_22 7.5(9) . . . . ?
C3_22 C4_22 C5_22 C21_22 -178.1(6) . . . . ?
C4_22 C5_22 C6_22 C1_22 -4.3(9) . . . . ?
C21_22 C5_22 C6_22 C1_22 -178.8(6) . . . . ?
C2_22 C1_22 C6_22 C5_22 0.6(9) . . . . ?
C7_22 C1_22 C6_22 C5_22 -177.5(6) . . . . ?
C2_22 C1_22 C7_22 C8_22 -22.4(9) . . . . ?
C6_22 C1_22 C7_22 C8_22 155.6(6) . . . . ?
C2_22 C1_22 C7_22 C12_22 159.7(6) . . . . ?
C6_22 C1_22 C7_22 C12_22 -22.4(9) . . . . ?
C12_22 C7_22 C8_22 C9_22 2.4(9) . . . . ?
C1_22 C7_22 C8_22 C9_22 -175.6(5) . . . . ?
C7_22 C8_22 C9_22 C10_22 0.8(9) . . . . ?
C8_22 C9_22 C10_22 C11_22 -2.7(9) . . . . ?
C8_22 C9_22 C10_22 C13_22 178.3(6) . . . . ?
C9_22 C10_22 C11_22 C12_22 1.4(10) . . . . ?
C13_22 C10_22 C11_22 C12_22 -179.7(6) . . . . ?
C10_22 C11_22 C12_22 C7_22 1.9(10) . . . . ?
C8_22 C7_22 C12_22 C11_22 -3.8(9) . . . . ?
C1_22 C7_22 C12_22 C11_22 174.2(6) . . . . ?
C11_22 C10_22 C13_22 O2_22 -1.1(10) . . . . ?
C9_22 C10_22 C13_22 O2_22 177.8(6) . . . . ?
C11_22 C10_22 C13_22 O1_22 -179.0(6) . . . . ?
C9_22 C10_22 C13_22 O1_22 -0.1(9) . . . . ?
C2_22 C3_22 C14_22 C19_22 -27.1(10) . . . . ?
C4_22 C3_22 C14_22 C19_22 146.5(7) . . . . ?
C2_22 C3_22 C14_22 C15_22 144.7(6) . . . . ?
C4_22 C3_22 C14_22 C15_22 -41.7(9) . . . . ?
C19_22 C14_22 C15_22 C16_22 -4.8(10) . . . . ?
C3_22 C14_22 C15_22 C16_22 -177.0(6) . . . . ?
C14_22 C15_22 C16_22 C17_22 1.6(9) . . . . ?
C15_22 C16_22 C17_22 C18_22 0.8(11) . . . . ?
C15_22 C16_22 C17_22 C20_22 -178.1(6) . . . . ?
C16_22 C17_22 C18_22 C19_22 0.1(12) . . . . ?
C20_22 C17_22 C18_22 C19_22 178.9(7) . . . . ?
C17_22 C18_22 C19_22 C14_22 -3.5(12) . . . . ?
C15_22 C14_22 C19_22 C18_22 5.8(12) . . . . ?
C3_22 C14_22 C19_22 C18_22 177.6(7) . . . . ?
C18_22 C17_22 C20_22 O4_22 -3.0(11) . . . . ?
C16_22 C17_22 C20_22 O4_22 175.9(7) . . . . ?
C18_22 C17_22 C20_22 O3_22 173.7(7) . . . . ?
C16_22 C17_22 C20_22 O3_22 -7.4(10) . . . . ?
C4_22 C5_22 C21_22 C26_22 39.1(9) . . . . ?
C6_22 C5_22 C21_22 C26_22 -146.7(6) . . . . ?
C4_22 C5_22 C21_22 C22_22 -146.0(6) . . . . ?
C6_22 C5_22 C21_22 C22_22 28.2(9) . . . . ?
C26_22 C21_22 C22_22 C23_22 -3.9(9) . . . . ?
C5_22 C21_22 C22_22 C23_22 -178.9(6) . . . . ?
C21_22 C22_22 C23_22 C24_22 2.4(9) . . . . ?
C22_22 C23_22 C24_22 C25_22 0.4(10) . . . . ?
C22_22 C23_22 C24_22 C27_22 180.0(6) . . . . ?
C23_22 C24_22 C25_22 C26_22 -1.6(10) . . . . ?
C27_22 C24_22 C25_22 C26_22 178.8(6) . . . . ?
C22_22 C21_22 C26_22 C25_22 2.7(9) . . . . ?
C5_22 C21_22 C26_22 C25_22 177.7(6) . . . . ?
C24_22 C25_22 C26_22 C21_22 0.0(10) . . . . ?
C23_22 C24_22 C27_22 O5_22 8.4(11) . . . . ?
C25_22 C24_22 C27_22 O5_22 -172.1(7) . . . . ?
C23_22 C24_22 C27_22 O6_22 -176.2(6) . . . . ?
C25_22 C24_22 C27_22 O6_22 3.3(10) . . . . ?
C6_23 C1_23 C2_23 C3_23 -1.5(8) . . . . ?
C7_23 C1_23 C2_23 C3_23 -179.9(5) . . . . ?
C1_23 C2_23 C3_23 C4_23 -1.6(9) . . . . ?
C1_23 C2_23 C3_23 C14_23 -178.8(5) . . . . ?
C2_23 C3_23 C4_23 C5_23 2.3(9) . . . . ?
C14_23 C3_23 C4_23 C5_23 179.6(6) . . . . ?
C3_23 C4_23 C5_23 C6_23 0.1(9) . . . . ?
C3_23 C4_23 C5_23 C21_23 174.1(6) . . . . ?
C4_23 C5_23 C6_23 C1_23 -3.3(9) . . . . ?
C21_23 C5_23 C6_23 C1_23 -177.3(6) . . . . ?
C2_23 C1_23 C6_23 C5_23 4.0(9) . . . . ?
C7_23 C1_23 C6_23 C5_23 -177.6(6) . . . . ?
C2_23 C1_23 C7_23 C12_23 -161.3(6) . . . . ?
C6_23 C1_23 C7_23 C12_23 20.4(9) . . . . ?
C2_23 C1_23 C7_23 C8_23 22.2(9) . . . . ?
C6_23 C1_23 C7_23 C8_23 -156.1(6) . . . . ?
C12_23 C7_23 C8_23 C9_23 5.0(9) . . . . ?
C1_23 C7_23 C8_23 C9_23 -178.3(5) . . . . ?
C7_23 C8_23 C9_23 C10_23 -7.0(9) . . . . ?
C8_23 C9_23 C10_23 C11_23 5.0(9) . . . . ?
C8_23 C9_23 C10_23 C13_23 -178.3(5) . . . . ?
C9_23 C10_23 C11_23 C12_23 -1.3(9) . . . . ?
C13_23 C10_23 C11_23 C12_23 -177.9(6) . . . . ?
C10_23 C11_23 C12_23 C7_23 -0.6(9) . . . . ?
C8_23 C7_23 C12_23 C11_23 -1.3(9) . . . . ?
C1_23 C7_23 C12_23 C11_23 -178.0(6) . . . . ?
C11_23 C10_23 C13_23 O1_23 179.7(6) . . . . ?
C9_23 C10_23 C13_23 O1_23 3.0(9) . . . . ?
C11_23 C10_23 C13_23 O2_23 -3.2(9) . . . . ?
C9_23 C10_23 C13_23 O2_23 -179.9(5) . . . . ?
C4_23 C3_23 C14_23 C19_23 146.8(6) . . . . ?
C2_23 C3_23 C14_23 C19_23 -36.0(9) . . . . ?
C4_23 C3_23 C14_23 C15_23 -31.2(9) . . . . ?
C2_23 C3_23 C14_23 C15_23 146.0(6) . . . . ?
C19_23 C14_23 C15_23 C16_23 -1.7(9) . . . . ?
C3_23 C14_23 C15_23 C16_23 176.4(6) . . . . ?
C14_23 C15_23 C16_23 C17_23 1.6(10) . . . . ?
C15_23 C16_23 C17_23 C18_23 -0.6(11) . . . . ?
C15_23 C16_23 C17_23 C20_23 180.0(6) . . . . ?
C16_23 C17_23 C18_23 C19_23 -0.2(10) . . . . ?
C20_23 C17_23 C18_23 C19_23 179.2(6) . . . . ?
C15_23 C14_23 C19_23 C18_23 0.8(9) . . . . ?
C3_23 C14_23 C19_23 C18_23 -177.2(6) . . . . ?
C17_23 C18_23 C19_23 C14_23 0.1(10) . . . . ?
C16_23 C17_23 C20_23 O4_23 172.7(7) . . . . ?
C18_23 C17_23 C20_23 O4_23 -6.8(11) . . . . ?
C16_23 C17_23 C20_23 O3_23 -13.4(11) . . . . ?
C18_23 C17_23 C20_23 O3_23 167.2(7) . . . . ?
C6_23 C5_23 C21_23 C22_23 37.2(9) . . . . ?
C4_23 C5_23 C21_23 C22_23 -136.6(7) . . . . ?
C6_23 C5_23 C21_23 C26_23 -141.9(6) . . . . ?
C4_23 C5_23 C21_23 C26_23 44.3(9) . . . . ?
C26_23 C21_23 C22_23 C23_23 -3.5(10) . . . . ?
C5_23 C21_23 C22_23 C23_23 177.4(6) . . . . ?
C21_23 C22_23 C23_23 C24_23 3.2(10) . . . . ?
C22_23 C23_23 C24_23 C25_23 0.9(10) . . . . ?
C22_23 C23_23 C24_23 C27_23 179.6(6) . . . . ?
C23_23 C24_23 C25_23 C26_23 -4.5(10) . . . . ?
C27_23 C24_23 C25_23 C26_23 176.8(6) . . . . ?
C22_23 C21_23 C26_23 C25_23 -0.3(10) . . . . ?
C5_23 C21_23 C26_23 C25_23 178.8(6) . . . . ?
C24_23 C25_23 C26_23 C21_23 4.3(10) . . . . ?
C25_23 C24_23 C27_23 O5_23 -172.9(7) . . . . ?
C23_23 C24_23 C27_23 O5_23 8.4(11) . . . . ?
C25_23 C24_23 C27_23 O6_23 9.0(10) . . . . ?
C23_23 C24_23 C27_23 O6_23 -169.7(6) . . . . ?
C6_24 C1_24 C2_24 C3_24 -0.7(9) . . . . ?
C7_24 C1_24 C2_24 C3_24 -179.0(6) . . . . ?
C1_24 C2_24 C3_24 C4_24 -1.6(9) . . . . ?
C1_24 C2_24 C3_24 C14_24 178.8(6) . . . . ?
C2_24 C3_24 C4_24 C5_24 1.5(9) . . . . ?
C14_24 C3_24 C4_24 C5_24 -178.9(6) . . . . ?
C3_24 C4_24 C5_24 C6_24 0.9(9) . . . . ?
C3_24 C4_24 C5_24 C21_24 179.0(6) . . . . ?
C4_24 C5_24 C6_24 C1_24 -3.5(9) . . . . ?
C21_24 C5_24 C6_24 C1_24 178.4(6) . . . . ?
C2_24 C1_24 C6_24 C5_24 3.4(9) . . . . ?
C7_24 C1_24 C6_24 C5_24 -178.4(6) . . . . ?
C2_24 C1_24 C7_24 C8_24 16.3(9) . . . . ?
C6_24 C1_24 C7_24 C8_24 -161.8(6) . . . . ?
C2_24 C1_24 C7_24 C12_24 -160.7(6) . . . . ?
C6_24 C1_24 C7_24 C12_24 21.1(9) . . . . ?
C12_24 C7_24 C8_24 C9_24 -0.4(9) . . . . ?
C1_24 C7_24 C8_24 C9_24 -177.6(6) . . . . ?
C7_24 C8_24 C9_24 C10_24 -2.0(9) . . . . ?
C8_24 C9_24 C10_24 C11_24 3.5(9) . . . . ?
C8_24 C9_24 C10_24 C13_24 178.5(6) . . . . ?
C9_24 C10_24 C11_24 C12_24 -2.6(9) . . . . ?
C13_24 C10_24 C11_24 C12_24 -177.7(6) . . . . ?
C10_24 C11_24 C12_24 C7_24 0.2(10) . . . . ?
C8_24 C7_24 C12_24 C11_24 1.3(9) . . . . ?
C1_24 C7_24 C12_24 C11_24 178.5(6) . . . . ?
C9_24 C10_24 C13_24 O2_24 -178.2(6) . . . . ?
C11_24 C10_24 C13_24 O2_24 -3.2(9) . . . . ?
C9_24 C10_24 C13_24 O1_24 -0.7(9) . . . . ?
C11_24 C10_24 C13_24 O1_24 174.3(6) . . . . ?
C4_24 C3_24 C14_24 C15_24 -35.3(9) . . . . ?
C2_24 C3_24 C14_24 C15_24 144.4(6) . . . . ?
C4_24 C3_24 C14_24 C19_24 145.3(6) . . . . ?
C2_24 C3_24 C14_24 C19_24 -35.1(8) . . . . ?
C19_24 C14_24 C15_24 C16_24 -2.4(10) . . . . ?
C3_24 C14_24 C15_24 C16_24 178.1(6) . . . . ?
C14_24 C15_24 C16_24 C17_24 2.4(11) . . . . ?
C15_24 C16_24 C17_24 C18_24 -1.1(11) . . . . ?
C15_24 C16_24 C17_24 C20_24 -179.6(7) . . . . ?
C16_24 C17_24 C18_24 C19_24 -0.3(10) . . . . ?
C20_24 C17_24 C18_24 C19_24 178.2(6) . . . . ?
C17_24 C18_24 C19_24 C14_24 0.4(9) . . . . ?
C15_24 C14_24 C19_24 C18_24 1.0(9) . . . . ?
C3_24 C14_24 C19_24 C18_24 -179.5(5) . . . . ?
C18_24 C17_24 C20_24 O3_24 176.4(7) . . . . ?
C16_24 C17_24 C20_24 O3_24 -5.1(11) . . . . ?
C18_24 C17_24 C20_24 O4_24 -0.2(11) . . . . ?
C16_24 C17_24 C20_24 O4_24 178.4(7) . . . . ?
C4_24 C5_24 C21_24 C26_24 38.7(9) . . . . ?
C6_24 C5_24 C21_24 C26_24 -143.3(6) . . . . ?
C4_24 C5_24 C21_24 C22_24 -140.1(6) . . . . ?
C6_24 C5_24 C21_24 C22_24 37.9(9) . . . . ?
C26_24 C21_24 C22_24 C23_24 -1.9(9) . . . . ?
C5_24 C21_24 C22_24 C23_24 176.9(6) . . . . ?
C21_24 C22_24 C23_24 C24_24 0.7(9) . . . . ?
C22_24 C23_24 C24_24 C25_24 0.2(10) . . . . ?
C22_24 C23_24 C24_24 C27_24 -179.4(6) . . . . ?
C23_24 C24_24 C25_24 C26_24 -0.1(10) . . . . ?
C27_24 C24_24 C25_24 C26_24 179.6(6) . . . . ?
C22_24 C21_24 C26_24 C25_24 2.0(9) . . . . ?
C5_24 C21_24 C26_24 C25_24 -176.8(6) . . . . ?
C24_24 C25_24 C26_24 C21_24 -1.1(10) . . . . ?
C25_24 C24_24 C27_24 O5_24 -175.8(6) . . . . ?
C23_24 C24_24 C27_24 O5_24 3.8(10) . . . . ?
C25_24 C24_24 C27_24 O6_24 4.5(9) . . . . ?
C23_24 C24_24 C27_24 O6_24 -175.9(6) . . . . ?
C6_25 C1_25 C2_25 C3_25 -0.8(9) . . . . ?
C7_25 C1_25 C2_25 C3_25 177.3(6) . . . . ?
C1_25 C2_25 C3_25 C4_25 0.6(9) . . . . ?
C1_25 C2_25 C3_25 C14_25 179.9(5) . . . . ?
C2_25 C3_25 C4_25 C5_25 -0.7(9) . . . . ?
C14_25 C3_25 C4_25 C5_25 -180.0(6) . . . . ?
C3_25 C4_25 C5_25 C6_25 1.0(9) . . . . ?
C3_25 C4_25 C5_25 C21_25 179.7(6) . . . . ?
C2_25 C1_25 C6_25 C5_25 1.1(9) . . . . ?
C7_25 C1_25 C6_25 C5_25 -177.0(6) . . . . ?
C4_25 C5_25 C6_25 C1_25 -1.2(9) . . . . ?
C21_25 C5_25 C6_25 C1_25 -179.9(6) . . . . ?
C6_25 C1_25 C7_25 C12_25 13.2(9) . . . . ?
C2_25 C1_25 C7_25 C12_25 -164.8(5) . . . . ?
C6_25 C1_25 C7_25 C8_25 -162.3(6) . . . . ?
C2_25 C1_25 C7_25 C8_25 19.7(8) . . . . ?
C12_25 C7_25 C8_25 C9_25 4.3(9) . . . . ?
C1_25 C7_25 C8_25 C9_25 180.0(5) . . . . ?
C7_25 C8_25 C9_25 C10_25 -3.1(9) . . . . ?
C8_25 C9_25 C10_25 C11_25 1.5(10) . . . . ?
C8_25 C9_25 C10_25 C13_25 179.3(6) . . . . ?
C9_25 C10_25 C11_25 C12_25 -1.2(9) . . . . ?
C13_25 C10_25 C11_25 C12_25 -178.9(6) . . . . ?
C10_25 C11_25 C12_25 C7_25 2.6(9) . . . . ?
C8_25 C7_25 C12_25 C11_25 -4.2(9) . . . . ?
C1_25 C7_25 C12_25 C11_25 -179.8(5) . . . . ?
C9_25 C10_25 C13_25 O2_25 -178.4(6) . . . . ?
C11_25 C10_25 C13_25 O2_25 -0.7(10) . . . . ?
C9_25 C10_25 C13_25 O1_25 -0.4(9) . . . . ?
C11_25 C10_25 C13_25 O1_25 177.3(6) . . . . ?
C2_25 C3_25 C14_25 C19_25 -36.7(9) . . . . ?
C4_25 C3_25 C14_25 C19_25 142.6(6) . . . . ?
C2_25 C3_25 C14_25 C15_25 142.2(6) . . . . ?
C4_25 C3_25 C14_25 C15_25 -38.5(8) . . . . ?
C19_25 C14_25 C15_25 C16_25 1.3(9) . . . . ?
C3_25 C14_25 C15_25 C16_25 -177.6(6) . . . . ?
C14_25 C15_25 C16_25 C17_25 -2.4(9) . . . . ?
C15_25 C16_25 C17_25 C18_25 1.7(10) . . . . ?
C15_25 C16_25 C17_25 C20_25 -178.7(6) . . . . ?
C16_25 C17_25 C18_25 C19_25 0.2(10) . . . . ?
C20_25 C17_25 C18_25 C19_25 -179.3(6) . . . . ?
C15_25 C14_25 C19_25 C18_25 0.6(9) . . . . ?
C3_25 C14_25 C19_25 C18_25 179.6(6) . . . . ?
C17_25 C18_25 C19_25 C14_25 -1.4(10) . . . . ?
C18_25 C17_25 C20_25 O4_25 -4.6(10) . . . . ?
C16_25 C17_25 C20_25 O4_25 175.8(7) . . . . ?
C18_25 C17_25 C20_25 O3_25 177.3(6) . . . . ?
C16_25 C17_25 C20_25 O3_25 -2.2(9) . . . . ?
C6_25 C5_25 C21_25 C26_25 -142.3(6) . . . . ?
C4_25 C5_25 C21_25 C26_25 39.0(9) . . . . ?
C6_25 C5_25 C21_25 C22_25 38.2(9) . . . . ?
C4_25 C5_25 C21_25 C22_25 -140.6(6) . . . . ?
C26_25 C21_25 C22_25 C23_25 1.1(9) . . . . ?
C5_25 C21_25 C22_25 C23_25 -179.3(5) . . . . ?
C21_25 C22_25 C23_25 C24_25 -0.9(9) . . . . ?
C22_25 C23_25 C24_25 C25_25 0.9(10) . . . . ?
C22_25 C23_25 C24_25 C27_25 -178.3(6) . . . . ?
C23_25 C24_25 C25_25 C26_25 -1.2(10) . . . . ?
C27_25 C24_25 C25_25 C26_25 178.0(6) . . . . ?
C22_25 C21_25 C26_25 C25_25 -1.4(9) . . . . ?
C5_25 C21_25 C26_25 C25_25 179.0(6) . . . . ?
C24_25 C25_25 C26_25 C21_25 1.5(10) . . . . ?
C25_25 C24_25 C27_25 O6_25 4.2(10) . . . . ?
C23_25 C24_25 C27_25 O6_25 -176.6(6) . . . . ?
C25_25 C24_25 C27_25 O5_25 -177.0(6) . . . . ?
C23_25 C24_25 C27_25 O5_25 2.2(10) . . . . ?
C6_26 C1_26 C2_26 C3_26 -4.3(9) . . . . ?
C7_26 C1_26 C2_26 C3_26 -179.9(6) . . . . ?
C1_26 C2_26 C3_26 C4_26 -0.3(9) . . . . ?
C1_26 C2_26 C3_26 C14_26 -179.1(6) . . . . ?
C2_26 C3_26 C4_26 C5_26 4.1(9) . . . . ?
C14_26 C3_26 C4_26 C5_26 -177.2(6) . . . . ?
C3_26 C4_26 C5_26 C6_26 -3.4(9) . . . . ?
C3_26 C4_26 C5_26 C21_26 177.1(6) . . . . ?
C2_26 C1_26 C6_26 C5_26 5.1(9) . . . . ?
C7_26 C1_26 C6_26 C5_26 -179.3(5) . . . . ?
C4_26 C5_26 C6_26 C1_26 -1.2(9) . . . . ?
C21_26 C5_26 C6_26 C1_26 178.3(6) . . . . ?
C6_26 C1_26 C7_26 C12_26 19.5(9) . . . . ?
C2_26 C1_26 C7_26 C12_26 -164.9(6) . . . . ?
C6_26 C1_26 C7_26 C8_26 -165.5(6) . . . . ?
C2_26 C1_26 C7_26 C8_26 10.1(9) . . . . ?
C12_26 C7_26 C8_26 C9_26 0.1(9) . . . . ?
C1_26 C7_26 C8_26 C9_26 -175.1(5) . . . . ?
C7_26 C8_26 C9_26 C10_26 -3.8(9) . . . . ?
C8_26 C9_26 C10_26 C11_26 5.2(10) . . . . ?
C8_26 C9_26 C10_26 C13_26 177.9(5) . . . . ?
C9_26 C10_26 C11_26 C12_26 -2.8(9) . . . . ?
C13_26 C10_26 C11_26 C12_26 -175.3(6) . . . . ?
C10_26 C11_26 C12_26 C7_26 -1.1(9) . . . . ?
C8_26 C7_26 C12_26 C11_26 2.3(9) . . . . ?
C1_26 C7_26 C12_26 C11_26 177.5(6) . . . . ?
C9_26 C10_26 C13_26 O2_26 -174.5(6) . . . . ?
C11_26 C10_26 C13_26 O2_26 -1.7(9) . . . . ?
C9_26 C10_26 C13_26 O1_26 6.6(9) . . . . ?
C11_26 C10_26 C13_26 O1_26 179.5(6) . . . . ?
C4_26 C3_26 C14_26 C19_26 143.0(6) . . . . ?
C2_26 C3_26 C14_26 C19_26 -38.2(9) . . . . ?
C4_26 C3_26 C14_26 C15_26 -34.0(9) . . . . ?
C2_26 C3_26 C14_26 C15_26 144.8(6) . . . . ?
C19_26 C14_26 C15_26 C16_26 2.8(10) . . . . ?
C3_26 C14_26 C15_26 C16_26 179.9(6) . . . . ?
C14_26 C15_26 C16_26 C17_26 -1.1(11) . . . . ?
C15_26 C16_26 C17_26 C18_26 0.4(11) . . . . ?
C15_26 C16_26 C17_26 C20_26 -178.8(7) . . . . ?
C16_26 C17_26 C18_26 C19_26 -1.7(11) . . . . ?
C20_26 C17_26 C18_26 C19_26 177.6(6) . . . . ?
C17_26 C18_26 C19_26 C14_26 3.5(10) . . . . ?
C15_26 C14_26 C19_26 C18_26 -4.0(9) . . . . ?
C3_26 C14_26 C19_26 C18_26 179.0(6) . . . . ?
C16_26 C17_26 C20_26 O3_26 -6.5(11) . . . . ?
C18_26 C17_26 C20_26 O3_26 174.2(7) . . . . ?
C16_26 C17_26 C20_26 O4_26 178.7(7) . . . . ?
C18_26 C17_26 C20_26 O4_26 -0.5(11) . . . . ?
C4_26 C5_26 C21_26 C26_26 42.9(9) . . . . ?
C6_26 C5_26 C21_26 C26_26 -136.7(6) . . . . ?
C4_26 C5_26 C21_26 C22_26 -140.8(6) . . . . ?
C6_26 C5_26 C21_26 C22_26 39.7(9) . . . . ?
C26_26 C21_26 C22_26 C23_26 -3.4(10) . . . . ?
C5_26 C21_26 C22_26 C23_26 -179.7(6) . . . . ?
C21_26 C22_26 C23_26 C24_26 3.1(11) . . . . ?
C22_26 C23_26 C24_26 C25_26 -2.2(11) . . . . ?
C22_26 C23_26 C24_26 C27_26 179.1(7) . . . . ?
C23_26 C24_26 C25_26 C26_26 1.4(10) . . . . ?
C27_26 C24_26 C25_26 C26_26 -179.9(6) . . . . ?
C22_26 C21_26 C26_26 C25_26 2.8(10) . . . . ?
C5_26 C21_26 C26_26 C25_26 179.1(6) . . . . ?
C24_26 C25_26 C26_26 C21_26 -1.8(10) . . . . ?
C25_26 C24_26 C27_26 O6_26 5.4(10) . . . . ?
C23_26 C24_26 C27_26 O6_26 -175.9(7) . . . . ?
C25_26 C24_26 C27_26 O5_26 -170.9(7) . . . . ?
C23_26 C24_26 C27_26 O5_26 7.7(10) . . . . ?
C6_27 C1_27 C2_27 C3_27 3.4(9) . . . . ?
C7_27 C1_27 C2_27 C3_27 -177.5(6) . . . . ?
C1_27 C2_27 C3_27 C4_27 0.0(10) . . . . ?
C1_27 C2_27 C3_27 C14_27 -178.5(6) . . . . ?
C2_27 C3_27 C4_27 C5_27 -4.1(10) . . . . ?
C14_27 C3_27 C4_27 C5_27 174.4(6) . . . . ?
C3_27 C4_27 C5_27 C6_27 4.5(10) . . . . ?
C3_27 C4_27 C5_27 C21_27 -177.6(6) . . . . ?
C2_27 C1_27 C6_27 C5_27 -2.8(9) . . . . ?
C7_27 C1_27 C6_27 C5_27 178.0(5) . . . . ?
C4_27 C5_27 C6_27 C1_27 -1.0(9) . . . . ?
C21_27 C5_27 C6_27 C1_27 -178.8(6) . . . . ?
C2_27 C1_27 C7_27 C8_27 25.7(9) . . . . ?
C6_27 C1_27 C7_27 C8_27 -155.2(6) . . . . ?
C2_27 C1_27 C7_27 C12_27 -151.6(6) . . . . ?
C6_27 C1_27 C7_27 C12_27 27.5(9) . . . . ?
C12_27 C7_27 C8_27 C9_27 2.2(9) . . . . ?
C1_27 C7_27 C8_27 C9_27 -175.1(6) . . . . ?
C7_27 C8_27 C9_27 C10_27 -3.2(10) . . . . ?
C8_27 C9_27 C10_27 C11_27 1.7(10) . . . . ?
C8_27 C9_27 C10_27 C13_27 -177.3(6) . . . . ?
C9_27 C10_27 C11_27 C12_27 0.7(10) . . . . ?
C13_27 C10_27 C11_27 C12_27 179.7(6) . . . . ?
C10_27 C11_27 C12_27 C7_27 -1.7(10) . . . . ?
C8_27 C7_27 C12_27 C11_27 0.3(10) . . . . ?
C1_27 C7_27 C12_27 C11_27 177.6(6) . . . . ?
C11_27 C10_27 C13_27 O1_27 -178.7(6) . . . . ?
C9_27 C10_27 C13_27 O1_27 0.3(10) . . . . ?
C11_27 C10_27 C13_27 O2_27 5.2(9) . . . . ?
C9_27 C10_27 C13_27 O2_27 -175.8(6) . . . . ?
C4_27 C3_27 C14_27 C15_27 33.3(10) . . . . ?
C2_27 C3_27 C14_27 C15_27 -148.2(7) . . . . ?
C4_27 C3_27 C14_27 C19_27 -145.9(7) . . . . ?
C2_27 C3_27 C14_27 C19_27 32.5(9) . . . . ?
C19_27 C14_27 C15_27 C16_27 3.9(10) . . . . ?
C3_27 C14_27 C15_27 C16_27 -175.4(6) . . . . ?
C14_27 C15_27 C16_27 C17_27 -3.7(11) . . . . ?
C15_27 C16_27 C17_27 C18_27 0.9(11) . . . . ?
C15_27 C16_27 C17_27 C20_27 179.3(7) . . . . ?
C16_27 C17_27 C18_27 C19_27 1.5(11) . . . . ?
C20_27 C17_27 C18_27 C19_27 -176.9(6) . . . . ?
C17_27 C18_27 C19_27 C14_27 -1.3(10) . . . . ?
C15_27 C14_27 C19_27 C18_27 -1.3(10) . . . . ?
C3_27 C14_27 C19_27 C18_27 177.9(6) . . . . ?
C18_27 C17_27 C20_27 O3_27 177.2(7) . . . . ?
C16_27 C17_27 C20_27 O3_27 -1.2(11) . . . . ?
C18_27 C17_27 C20_27 O4_27 0.6(11) . . . . ?
C16_27 C17_27 C20_27 O4_27 -177.8(7) . . . . ?
C6_27 C5_27 C21_27 C26_27 140.1(7) . . . . ?
C4_27 C5_27 C21_27 C26_27 -37.7(9) . . . . ?
C6_27 C5_27 C21_27 C22_27 -41.5(9) . . . . ?
C4_27 C5_27 C21_27 C22_27 140.8(6) . . . . ?
C26_27 C21_27 C22_27 C23_27 -1.4(9) . . . . ?
C5_27 C21_27 C22_27 C23_27 -179.9(6) . . . . ?
C21_27 C22_27 C23_27 C24_27 2.3(10) . . . . ?
C22_27 C23_27 C24_27 C25_27 -3.0(10) . . . . ?
C22_27 C23_27 C24_27 C27_27 176.6(6) . . . . ?
C23_27 C24_27 C25_27 C26_27 3.4(11) . . . . ?
C27_27 C24_27 C25_27 C26_27 -176.3(7) . . . . ?
C24_27 C25_27 C26_27 C21_27 -2.6(12) . . . . ?
C22_27 C21_27 C26_27 C25_27 1.4(10) . . . . ?
C5_27 C21_27 C26_27 C25_27 180.0(6) . . . . ?
C25_27 C24_27 C27_27 O5_27 168.9(7) . . . . ?
C23_27 C24_27 C27_27 O5_27 -10.7(11) . . . . ?
C25_27 C24_27 C27_27 O6_27 -11.2(11) . . . . ?
C23_27 C24_27 C27_27 O6_27 169.2(6) . . . . ?
C6_28 C1_28 C2_28 C3_28 4.2(9) . . . . ?
C7_28 C1_28 C2_28 C3_28 179.9(6) . . . . ?
C1_28 C2_28 C3_28 C4_28 -3.4(10) . . . . ?
C1_28 C2_28 C3_28 C14_28 -179.4(6) . . . . ?
C2_28 C3_28 C4_28 C5_28 3.1(9) . . . . ?
C14_28 C3_28 C4_28 C5_28 178.9(6) . . . . ?
C3_28 C4_28 C5_28 C6_28 -3.7(9) . . . . ?
C3_28 C4_28 C5_28 C21_28 -179.7(6) . . . . ?
C4_28 C5_28 C6_28 C1_28 4.5(9) . . . . ?
C21_28 C5_28 C6_28 C1_28 -179.4(5) . . . . ?
C2_28 C1_28 C6_28 C5_28 -4.8(9) . . . . ?
C7_28 C1_28 C6_28 C5_28 179.5(5) . . . . ?
C2_28 C1_28 C7_28 C12_28 -151.4(6) . . . . ?
C6_28 C1_28 C7_28 C12_28 24.1(9) . . . . ?
C2_28 C1_28 C7_28 C8_28 31.3(9) . . . . ?
C6_28 C1_28 C7_28 C8_28 -153.2(6) . . . . ?
C12_28 C7_28 C8_28 C9_28 1.4(9) . . . . ?
C1_28 C7_28 C8_28 C9_28 178.8(6) . . . . ?
C7_28 C8_28 C9_28 C10_28 1.9(9) . . . . ?
C8_28 C9_28 C10_28 C11_28 -5.4(10) . . . . ?
C8_28 C9_28 C10_28 C13_28 -179.9(6) . . . . ?
C9_28 C10_28 C11_28 C12_28 5.5(10) . . . . ?
C13_28 C10_28 C11_28 C12_28 179.9(6) . . . . ?
C10_28 C11_28 C12_28 C7_28 -2.1(10) . . . . ?
C8_28 C7_28 C12_28 C11_28 -1.4(10) . . . . ?
C1_28 C7_28 C12_28 C11_28 -178.7(6) . . . . ?
C11_28 C10_28 C13_28 O2_28 5.1(9) . . . . ?
C9_28 C10_28 C13_28 O2_28 179.7(6) . . . . ?
C11_28 C10_28 C13_28 O1_28 -172.8(6) . . . . ?
C9_28 C10_28 C13_28 O1_28 1.8(9) . . . . ?
C4_28 C3_28 C14_28 C15_28 30.3(10) . . . . ?
C2_28 C3_28 C14_28 C15_28 -154.0(6) . . . . ?
C4_28 C3_28 C14_28 C19_28 -144.6(7) . . . . ?
C2_28 C3_28 C14_28 C19_28 31.1(9) . . . . ?
C19_28 C14_28 C15_28 C16_28 -6.9(10) . . . . ?
C3_28 C14_28 C15_28 C16_28 178.0(6) . . . . ?
C14_28 C15_28 C16_28 C17_28 4.7(10) . . . . ?
C15_28 C16_28 C17_28 C18_28 0.0(10) . . . . ?
C15_28 C16_28 C17_28 C20_28 176.9(6) . . . . ?
C16_28 C17_28 C18_28 C19_28 -1.9(9) . . . . ?
C20_28 C17_28 C18_28 C19_28 -179.0(6) . . . . ?
C17_28 C18_28 C19_28 C14_28 -0.5(9) . . . . ?
C15_28 C14_28 C19_28 C18_28 4.9(9) . . . . ?
C3_28 C14_28 C19_28 C18_28 180.0(6) . . . . ?
C16_28 C17_28 C20_28 O4_28 -177.9(7) . . . . ?
C18_28 C17_28 C20_28 O4_28 -1.0(10) . . . . ?
C16_28 C17_28 C20_28 O3_28 2.8(10) . . . . ?
C18_28 C17_28 C20_28 O3_28 179.8(6) . . . . ?
C6_28 C5_28 C21_28 C22_28 -42.4(8) . . . . ?
C4_28 C5_28 C21_28 C22_28 133.5(6) . . . . ?
C6_28 C5_28 C21_28 C26_28 141.5(6) . . . . ?
C4_28 C5_28 C21_28 C26_28 -42.6(8) . . . . ?
C26_28 C21_28 C22_28 C23_28 -1.5(9) . . . . ?
C5_28 C21_28 C22_28 C23_28 -177.7(5) . . . . ?
C21_28 C22_28 C23_28 C24_28 1.6(10) . . . . ?
C22_28 C23_28 C24_28 C25_28 -0.6(10) . . . . ?
C22_28 C23_28 C24_28 C27_28 176.5(6) . . . . ?
C23_28 C24_28 C25_28 C26_28 -0.4(10) . . . . ?
C27_28 C24_28 C25_28 C26_28 -177.4(6) . . . . ?
C24_28 C25_28 C26_28 C21_28 0.4(10) . . . . ?
C22_28 C21_28 C26_28 C25_28 0.6(9) . . . . ?
C5_28 C21_28 C26_28 C25_28 176.8(5) . . . . ?
C25_28 C24_28 C27_28 O5_28 175.5(7) . . . . ?
C23_28 C24_28 C27_28 O5_28 -1.4(11) . . . . ?
C25_28 C24_28 C27_28 O6_28 -8.3(10) . . . . ?
C23_28 C24_28 C27_28 O6_28 174.8(6) . . . . ?
C6_29 C1_29 C2_29 C3_29 -1.3(9) . . . . ?
C7_29 C1_29 C2_29 C3_29 -176.4(6) . . . . ?
C1_29 C2_29 C3_29 C4_29 -2.6(9) . . . . ?
C1_29 C2_29 C3_29 C14_29 179.4(6) . . . . ?
C2_29 C3_29 C4_29 C5_29 2.7(9) . . . . ?
C14_29 C3_29 C4_29 C5_29 -179.3(6) . . . . ?
C3_29 C4_29 C5_29 C6_29 1.0(9) . . . . ?
C3_29 C4_29 C5_29 C21_29 175.0(6) . . . . ?
C2_29 C1_29 C6_29 C5_29 5.2(9) . . . . ?
C7_29 C1_29 C6_29 C5_29 -179.7(6) . . . . ?
C4_29 C5_29 C6_29 C1_29 -5.0(9) . . . . ?
C21_29 C5_29 C6_29 C1_29 -178.8(6) . . . . ?
C6_29 C1_29 C7_29 C8_29 -153.6(6) . . . . ?
C2_29 C1_29 C7_29 C8_29 21.3(9) . . . . ?
C6_29 C1_29 C7_29 C12_29 34.8(8) . . . . ?
C2_29 C1_29 C7_29 C12_29 -150.2(6) . . . . ?
C12_29 C7_29 C8_29 C9_29 -10.6(10) . . . . ?
C1_29 C7_29 C8_29 C9_29 177.8(6) . . . . ?
C7_29 C8_29 C9_29 C10_29 9.1(11) . . . . ?
C8_29 C9_29 C10_29 C11_29 -4.7(10) . . . . ?
C8_29 C9_29 C10_29 C13_29 175.2(7) . . . . ?
C9_29 C10_29 C11_29 C12_29 2.3(10) . . . . ?
C13_29 C10_29 C11_29 C12_29 -177.6(6) . . . . ?
C10_29 C11_29 C12_29 C7_29 -4.2(10) . . . . ?
C8_29 C7_29 C12_29 C11_29 8.2(9) . . . . ?
C1_29 C7_29 C12_29 C11_29 -179.9(6) . . . . ?
C11_29 C10_29 C13_29 O2_29 2.4(10) . . . . ?
C9_29 C10_29 C13_29 O2_29 -177.5(6) . . . . ?
C11_29 C10_29 C13_29 O1_29 -177.8(6) . . . . ?
C9_29 C10_29 C13_29 O1_29 2.3(10) . . . . ?
C2_29 C3_29 C14_29 C15_29 140.3(6) . . . . ?
C4_29 C3_29 C14_29 C15_29 -37.8(9) . . . . ?
C2_29 C3_29 C14_29 C19_29 -42.6(8) . . . . ?
C4_29 C3_29 C14_29 C19_29 139.3(6) . . . . ?
C19_29 C14_29 C15_29 C16_29 0.1(10) . . . . ?
C3_29 C14_29 C15_29 C16_29 177.1(6) . . . . ?
C14_29 C15_29 C16_29 C17_29 -0.3(10) . . . . ?
C15_29 C16_29 C17_29 C18_29 -2.0(10) . . . . ?
C15_29 C16_29 C17_29 C20_29 -179.3(6) . . . . ?
C16_29 C17_29 C18_29 C19_29 4.4(10) . . . . ?
C20_29 C17_29 C18_29 C19_29 -178.4(6) . . . . ?
C15_29 C14_29 C19_29 C18_29 2.3(10) . . . . ?
C3_29 C14_29 C19_29 C18_29 -174.9(6) . . . . ?
C17_29 C18_29 C19_29 C14_29 -4.5(10) . . . . ?
C18_29 C17_29 C20_29 O3_29 173.9(6) . . . . ?
C16_29 C17_29 C20_29 O3_29 -8.8(10) . . . . ?
C18_29 C17_29 C20_29 O4_29 -5.6(10) . . . . ?
C16_29 C17_29 C20_29 O4_29 171.7(6) . . . . ?
C6_29 C5_29 C21_29 C22_29 27.3(10) . . . . ?
C4_29 C5_29 C21_29 C22_29 -146.4(6) . . . . ?
C6_29 C5_29 C21_29 C26_29 -144.5(6) . . . . ?
C4_29 C5_29 C21_29 C26_29 41.7(8) . . . . ?
C26_29 C21_29 C22_29 C23_29 -1.1(10) . . . . ?
C5_29 C21_29 C22_29 C23_29 -172.8(6) . . . . ?
C21_29 C22_29 C23_29 C24_29 0.4(10) . . . . ?
C22_29 C23_29 C24_29 C25_29 0.2(10) . . . . ?
C22_29 C23_29 C24_29 C27_29 177.0(6) . . . . ?
C23_29 C24_29 C25_29 C26_29 -0.1(10) . . . . ?
C27_29 C24_29 C25_29 C26_29 -176.9(6) . . . . ?
C22_29 C21_29 C26_29 C25_29 1.2(10) . . . . ?
C5_29 C21_29 C26_29 C25_29 173.0(5) . . . . ?
C24_29 C25_29 C26_29 C21_29 -0.6(9) . . . . ?
C23_29 C24_29 C27_29 O5_29 7.0(10) . . . . ?
C25_29 C24_29 C27_29 O5_29 -176.2(6) . . . . ?
C23_29 C24_29 C27_29 O6_29 -177.3(6) . . . . ?
C25_29 C24_29 C27_29 O6_29 -0.4(9) . . . . ?
C6_30 C1_30 C2_30 C3_30 -0.3(9) . . . . ?
C7_30 C1_30 C2_30 C3_30 -178.5(5) . . . . ?
C1_30 C2_30 C3_30 C4_30 0.9(9) . . . . ?
C1_30 C2_30 C3_30 C14_30 -176.5(5) . . . . ?
C2_30 C3_30 C4_30 C5_30 -0.5(9) . . . . ?
C14_30 C3_30 C4_30 C5_30 177.0(5) . . . . ?
C3_30 C4_30 C5_30 C6_30 -0.6(9) . . . . ?
C3_30 C4_30 C5_30 C21_30 176.2(5) . . . . ?
C2_30 C1_30 C6_30 C5_30 -0.8(9) . . . . ?
C7_30 C1_30 C6_30 C5_30 177.3(6) . . . . ?
C4_30 C5_30 C6_30 C1_30 1.2(9) . . . . ?
C21_30 C5_30 C6_30 C1_30 -175.6(5) . . . . ?
C6_30 C1_30 C7_30 C12_30 -24.1(10) . . . . ?
C2_30 C1_30 C7_30 C12_30 154.0(6) . . . . ?
C6_30 C1_30 C7_30 C8_30 153.6(6) . . . . ?
C2_30 C1_30 C7_30 C8_30 -28.3(8) . . . . ?
C12_30 C7_30 C8_30 C9_30 -2.5(9) . . . . ?
C1_30 C7_30 C8_30 C9_30 179.7(6) . . . . ?
C7_30 C8_30 C9_30 C10_30 4.0(10) . . . . ?
C8_30 C9_30 C10_30 C11_30 -3.0(11) . . . . ?
C8_30 C9_30 C10_30 C13_30 178.5(6) . . . . ?
C9_30 C10_30 C11_30 C12_30 0.6(10) . . . . ?
C13_30 C10_30 C11_30 C12_30 179.0(6) . . . . ?
C8_30 C7_30 C12_30 C11_30 0.0(10) . . . . ?
C1_30 C7_30 C12_30 C11_30 177.7(6) . . . . ?
C10_30 C11_30 C12_30 C7_30 1.0(10) . . . . ?
C11_30 C10_30 C13_30 O1_30 176.3(7) . . . . ?
C9_30 C10_30 C13_30 O1_30 -5.2(9) . . . . ?
C11_30 C10_30 C13_30 O2_30 -0.9(9) . . . . ?
C9_30 C10_30 C13_30 O2_30 177.6(6) . . . . ?
C2_30 C3_30 C14_30 C19_30 -38.5(8) . . . . ?
C4_30 C3_30 C14_30 C19_30 144.1(6) . . . . ?
C2_30 C3_30 C14_30 C15_30 141.2(6) . . . . ?
C4_30 C3_30 C14_30 C15_30 -36.2(8) . . . . ?
C19_30 C14_30 C15_30 C16_30 3.3(8) . . . . ?
C3_30 C14_30 C15_30 C16_30 -176.4(5) . . . . ?
C14_30 C15_30 C16_30 C17_30 -3.4(9) . . . . ?
C15_30 C16_30 C17_30 C18_30 2.5(9) . . . . ?
C15_30 C16_30 C17_30 C20_30 -177.6(6) . . . . ?
C16_30 C17_30 C18_30 C19_30 -1.4(9) . . . . ?
C20_30 C17_30 C18_30 C19_30 178.6(6) . . . . ?
C17_30 C18_30 C19_30 C14_30 1.5(10) . . . . ?
C15_30 C14_30 C19_30 C18_30 -2.5(9) . . . . ?
C3_30 C14_30 C19_30 C18_30 177.3(6) . . . . ?
C18_30 C17_30 C20_30 O4_30 -3.5(10) . . . . ?
C16_30 C17_30 C20_30 O4_30 176.5(6) . . . . ?
C18_30 C17_30 C20_30 O3_30 175.1(6) . . . . ?
C16_30 C17_30 C20_30 O3_30 -4.9(9) . . . . ?
C4_30 C5_30 C21_30 C22_30 -151.8(6) . . . . ?
C6_30 C5_30 C21_30 C22_30 25.0(9) . . . . ?
C4_30 C5_30 C21_30 C26_30 28.2(8) . . . . ?
C6_30 C5_30 C21_30 C26_30 -155.0(6) . . . . ?
C26_30 C21_30 C22_30 C23_30 -2.5(9) . . . . ?
C5_30 C21_30 C22_30 C23_30 177.6(5) . . . . ?
C21_30 C22_30 C23_30 C24_30 3.6(9) . . . . ?
C22_30 C23_30 C24_30 C25_30 -1.1(10) . . . . ?
C22_30 C23_30 C24_30 C27_30 179.6(6) . . . . ?
C27_30 C24_30 C25_30 C26_30 176.9(6) . . . . ?
C23_30 C24_30 C25_30 C26_30 -2.3(10) . . . . ?
C22_30 C21_30 C26_30 C25_30 -1.0(9) . . . . ?
C5_30 C21_30 C26_30 C25_30 178.9(5) . . . . ?
C24_30 C25_30 C26_30 C21_30 3.5(10) . . . . ?
C25_30 C24_30 C27_30 O5_30 -172.9(7) . . . . ?
C23_30 C24_30 C27_30 O5_30 6.3(11) . . . . ?
C25_30 C24_30 C27_30 O6_30 5.8(11) . . . . ?
C23_30 C24_30 C27_30 O6_30 -175.0(6) . . . . ?
C6_31 C1_31 C2_31 C3_31 -3.1(9) . . . . ?
C7_31 C1_31 C2_31 C3_31 -175.9(6) . . . . ?
C1_31 C2_31 C3_31 C4_31 1.0(9) . . . . ?
C1_31 C2_31 C3_31 C14_31 -179.4(5) . . . . ?
C2_31 C3_31 C4_31 C5_31 1.0(9) . . . . ?
C14_31 C3_31 C4_31 C5_31 -178.7(5) . . . . ?
C3_31 C4_31 C5_31 C6_31 -0.7(9) . . . . ?
C3_31 C4_31 C5_31 C21_31 178.1(5) . . . . ?
C4_31 C5_31 C6_31 C1_31 -1.6(9) . . . . ?
C21_31 C5_31 C6_31 C1_31 179.6(5) . . . . ?
C2_31 C1_31 C6_31 C5_31 3.4(9) . . . . ?
C7_31 C1_31 C6_31 C5_31 176.2(6) . . . . ?
C6_31 C1_31 C7_31 C12_31 -19.0(9) . . . . ?
C2_31 C1_31 C7_31 C12_31 153.4(6) . . . . ?
C6_31 C1_31 C7_31 C8_31 158.3(6) . . . . ?
C2_31 C1_31 C7_31 C8_31 -29.3(8) . . . . ?
C12_31 C7_31 C8_31 C9_31 -1.1(9) . . . . ?
C1_31 C7_31 C8_31 C9_31 -178.5(6) . . . . ?
C7_31 C8_31 C9_31 C10_31 -0.2(9) . . . . ?
C8_31 C9_31 C10_31 C11_31 0.2(10) . . . . ?
C8_31 C9_31 C10_31 C13_31 179.4(6) . . . . ?
C9_31 C10_31 C11_31 C12_31 1.0(9) . . . . ?
C13_31 C10_31 C11_31 C12_31 -178.2(6) . . . . ?
C8_31 C7_31 C12_31 C11_31 2.4(9) . . . . ?
C1_31 C7_31 C12_31 C11_31 179.7(6) . . . . ?
C10_31 C11_31 C12_31 C7_31 -2.4(9) . . . . ?
C9_31 C10_31 C13_31 O1_31 -1.5(10) . . . . ?
C11_31 C10_31 C13_31 O1_31 177.7(6) . . . . ?
C9_31 C10_31 C13_31 O2_31 175.8(6) . . . . ?
C11_31 C10_31 C13_31 O2_31 -4.9(9) . . . . ?
C2_31 C3_31 C14_31 C15_31 142.2(6) . . . . ?
C4_31 C3_31 C14_31 C15_31 -38.2(8) . . . . ?
C2_31 C3_31 C14_31 C19_31 -36.6(8) . . . . ?
C4_31 C3_31 C14_31 C19_31 143.0(6) . . . . ?
C19_31 C14_31 C15_31 C16_31 -0.2(9) . . . . ?
C3_31 C14_31 C15_31 C16_31 -179.1(5) . . . . ?
C14_31 C15_31 C16_31 C17_31 1.0(8) . . . . ?
C15_31 C16_31 C17_31 C18_31 -1.5(9) . . . . ?
C15_31 C16_31 C17_31 C20_31 178.3(6) . . . . ?
C16_31 C17_31 C18_31 C19_31 1.3(9) . . . . ?
C20_31 C17_31 C18_31 C19_31 -178.5(6) . . . . ?
C17_31 C18_31 C19_31 C14_31 -0.5(9) . . . . ?
C15_31 C14_31 C19_31 C18_31 -0.1(8) . . . . ?
C3_31 C14_31 C19_31 C18_31 178.8(5) . . . . ?
C18_31 C17_31 C20_31 O4_31 -8.3(10) . . . . ?
C16_31 C17_31 C20_31 O4_31 171.9(6) . . . . ?
C18_31 C17_31 C20_31 O3_31 179.6(6) . . . . ?
C16_31 C17_31 C20_31 O3_31 -0.2(9) . . . . ?
C4_31 C5_31 C21_31 C22_31 -145.6(6) . . . . ?
C6_31 C5_31 C21_31 C22_31 33.3(9) . . . . ?
C4_31 C5_31 C21_31 C26_31 32.6(9) . . . . ?
C6_31 C5_31 C21_31 C26_31 -148.6(6) . . . . ?
C26_31 C21_31 C22_31 C23_31 -2.9(9) . . . . ?
C5_31 C21_31 C22_31 C23_31 175.3(5) . . . . ?
C21_31 C22_31 C23_31 C24_31 3.1(9) . . . . ?
C22_31 C23_31 C24_31 C25_31 -0.1(10) . . . . ?
C22_31 C23_31 C24_31 C27_31 179.5(5) . . . . ?
C23_31 C24_31 C25_31 C26_31 -2.8(10) . . . . ?
C27_31 C24_31 C25_31 C26_31 177.6(6) . . . . ?
C22_31 C21_31 C26_31 C25_31 -0.1(9) . . . . ?
C5_31 C21_31 C26_31 C25_31 -178.4(5) . . . . ?
C24_31 C25_31 C26_31 C21_31 3.0(9) . . . . ?
C25_31 C24_31 C27_31 O5_31 -178.9(6) . . . . ?
C23_31 C24_31 C27_31 O5_31 1.5(9) . . . . ?
C25_31 C24_31 C27_31 O6_31 -0.1(9) . . . . ?
C23_31 C24_31 C27_31 O6_31 -179.7(6) . . . . ?
C6_32 C1_32 C2_32 C3_32 -4.5(9) . . . . ?
C7_32 C1_32 C2_32 C3_32 179.2(5) . . . . ?
C1_32 C2_32 C3_32 C4_32 3.9(9) . . . . ?
C1_32 C2_32 C3_32 C14_32 179.3(6) . . . . ?
C2_32 C3_32 C4_32 C5_32 -1.2(9) . . . . ?
C14_32 C3_32 C4_32 C5_32 -176.4(6) . . . . ?
C3_32 C4_32 C5_32 C6_32 -1.0(9) . . . . ?
C3_32 C4_32 C5_32 C21_32 179.8(6) . . . . ?
C2_32 C1_32 C6_32 C5_32 2.3(9) . . . . ?
C7_32 C1_32 C6_32 C5_32 178.6(6) . . . . ?
C4_32 C5_32 C6_32 C1_32 0.4(9) . . . . ?
C21_32 C5_32 C6_32 C1_32 179.6(6) . . . . ?
C6_32 C1_32 C7_32 C12_32 -22.2(9) . . . . ?
C2_32 C1_32 C7_32 C12_32 154.0(6) . . . . ?
C6_32 C1_32 C7_32 C8_32 157.0(6) . . . . ?
C2_32 C1_32 C7_32 C8_32 -26.8(9) . . . . ?
C12_32 C7_32 C8_32 C9_32 1.0(9) . . . . ?
C1_32 C7_32 C8_32 C9_32 -178.2(6) . . . . ?
C7_32 C8_32 C9_32 C10_32 -3.3(10) . . . . ?
C8_32 C9_32 C10_32 C11_32 3.3(10) . . . . ?
C8_32 C9_32 C10_32 C13_32 -176.6(6) . . . . ?
C9_32 C10_32 C11_32 C12_32 -1.0(9) . . . . ?
C13_32 C10_32 C11_32 C12_32 178.9(6) . . . . ?
C8_32 C7_32 C12_32 C11_32 1.3(9) . . . . ?
C1_32 C7_32 C12_32 C11_32 -179.5(6) . . . . ?
C10_32 C11_32 C12_32 C7_32 -1.3(10) . . . . ?
C11_32 C10_32 C13_32 O1_32 175.3(6) . . . . ?
C9_32 C10_32 C13_32 O1_32 -4.8(9) . . . . ?
C11_32 C10_32 C13_32 O2_32 -1.7(9) . . . . ?
C9_32 C10_32 C13_32 O2_32 178.2(6) . . . . ?
C4_32 C3_32 C14_32 C15_32 -40.7(9) . . . . ?
C2_32 C3_32 C14_32 C15_32 144.1(6) . . . . ?
C4_32 C3_32 C14_32 C19_32 134.5(6) . . . . ?
C2_32 C3_32 C14_32 C19_32 -40.7(8) . . . . ?
C3_32 C14_32 C15_32 C16_32 178.3(6) . . . . ?
C19_32 C14_32 C15_32 C16_32 3.0(9) . . . . ?
C14_32 C15_32 C16_32 C17_32 -2.6(9) . . . . ?
C15_32 C16_32 C17_32 C18_32 0.8(9) . . . . ?
C15_32 C16_32 C17_32 C20_32 -179.4(5) . . . . ?
C16_32 C17_32 C18_32 C19_32 0.5(9) . . . . ?
C20_32 C17_32 C18_32 C19_32 -179.3(5) . . . . ?
C17_32 C18_32 C19_32 C14_32 -0.1(9) . . . . ?
C15_32 C14_32 C19_32 C18_32 -1.6(8) . . . . ?
C3_32 C14_32 C19_32 C18_32 -177.0(5) . . . . ?
C18_32 C17_32 C20_32 O4_32 -3.0(9) . . . . ?
C16_32 C17_32 C20_32 O4_32 177.2(6) . . . . ?
C18_32 C17_32 C20_32 O3_32 176.5(6) . . . . ?
C16_32 C17_32 C20_32 O3_32 -3.3(9) . . . . ?
C4_32 C5_32 C21_32 C26_32 34.3(9) . . . . ?
C6_32 C5_32 C21_32 C26_32 -144.8(6) . . . . ?
C4_32 C5_32 C21_32 C22_32 -144.6(6) . . . . ?
C6_32 C5_32 C21_32 C22_32 36.3(9) . . . . ?
C26_32 C21_32 C22_32 C23_32 -3.9(9) . . . . ?
C5_32 C21_32 C22_32 C23_32 175.1(5) . . . . ?
C21_32 C22_32 C23_32 C24_32 3.5(9) . . . . ?
C22_32 C23_32 C24_32 C25_32 -0.7(10) . . . . ?
C22_32 C23_32 C24_32 C27_32 177.9(6) . . . . ?
C23_32 C24_32 C25_32 C26_32 -1.6(10) . . . . ?
C27_32 C24_32 C25_32 C26_32 179.8(6) . . . . ?
C22_32 C21_32 C26_32 C25_32 1.7(10) . . . . ?
C5_32 C21_32 C26_32 C25_32 -177.3(6) . . . . ?
C24_32 C25_32 C26_32 C21_32 1.1(10) . . . . ?
C23_32 C24_32 C27_32 O5_32 8.0(10) . . . . ?
C25_32 C24_32 C27_32 O5_32 -173.4(6) . . . . ?
C23_32 C24_32 C27_32 O6_32 -179.3(6) . . . . ?
C25_32 C24_32 C27_32 O6_32 -0.7(10) . . . . ?
C6_33 C1_33 C2_33 C3_33 -6.8(10) . . . . ?
C7_33 C1_33 C2_33 C3_33 180.0(6) . . . . ?
C1_33 C2_33 C3_33 C4_33 4.6(10) . . . . ?
C1_33 C2_33 C3_33 C14_33 -178.1(6) . . . . ?
C2_33 C3_33 C4_33 C5_33 -2.6(10) . . . . ?
C14_33 C3_33 C4_33 C5_33 -179.9(6) . . . . ?
C3_33 C4_33 C5_33 C6_33 3.0(10) . . . . ?
C3_33 C4_33 C5_33 C21_33 179.9(6) . . . . ?
C2_33 C1_33 C6_33 C5_33 7.3(10) . . . . ?
C7_33 C1_33 C6_33 C5_33 -179.7(6) . . . . ?
C4_33 C5_33 C6_33 C1_33 -5.5(10) . . . . ?
C21_33 C5_33 C6_33 C1_33 177.5(6) . . . . ?
C6_33 C1_33 C7_33 C12_33 -24.2(10) . . . . ?
C2_33 C1_33 C7_33 C12_33 148.6(6) . . . . ?
C6_33 C1_33 C7_33 C8_33 152.9(6) . . . . ?
C2_33 C1_33 C7_33 C8_33 -34.3(9) . . . . ?
C12_33 C7_33 C8_33 C9_33 -2.9(9) . . . . ?
C1_33 C7_33 C8_33 C9_33 180.0(5) . . . . ?
C7_33 C8_33 C9_33 C10_33 2.2(9) . . . . ?
C8_33 C9_33 C10_33 C13_33 -176.8(6) . . . . ?
C8_33 C9_33 C10_33 C11_33 0.2(9) . . . . ?
C9_33 C10_33 C11_33 C12_33 -1.9(9) . . . . ?
C13_33 C10_33 C11_33 C12_33 175.2(6) . . . . ?
C10_33 C11_33 C12_33 C7_33 1.2(10) . . . . ?
C8_33 C7_33 C12_33 C11_33 1.1(10) . . . . ?
C1_33 C7_33 C12_33 C11_33 178.2(6) . . . . ?
C9_33 C10_33 C13_33 O2_33 -179.7(6) . . . . ?
C11_33 C10_33 C13_33 O2_33 3.2(10) . . . . ?
C9_33 C10_33 C13_33 O1_33 -4.7(9) . . . . ?
C11_33 C10_33 C13_33 O1_33 178.3(6) . . . . ?
C2_33 C3_33 C14_33 C19_33 41.8(9) . . . . ?
C4_33 C3_33 C14_33 C19_33 -141.0(7) . . . . ?
C2_33 C3_33 C14_33 C15_33 -138.8(7) . . . . ?
C4_33 C3_33 C14_33 C15_33 38.3(9) . . . . ?
C19_33 C14_33 C15_33 C16_33 -1.2(10) . . . . ?
C3_33 C14_33 C15_33 C16_33 179.4(6) . . . . ?
C14_33 C15_33 C16_33 C17_33 1.2(10) . . . . ?
C15_33 C16_33 C17_33 C18_33 -0.3(11) . . . . ?
C15_33 C16_33 C17_33 C20_33 -178.4(6) . . . . ?
C16_33 C17_33 C18_33 C19_33 -0.6(11) . . . . ?
C20_33 C17_33 C18_33 C19_33 177.6(6) . . . . ?
C15_33 C14_33 C19_33 C18_33 0.4(10) . . . . ?
C3_33 C14_33 C19_33 C18_33 179.8(6) . . . . ?
C17_33 C18_33 C19_33 C14_33 0.5(11) . . . . ?
C18_33 C17_33 C20_33 O4_33 15.7(11) . . . . ?
C16_33 C17_33 C20_33 O4_33 -166.1(7) . . . . ?
C18_33 C17_33 C20_33 O3_33 -170.4(7) . . . . ?
C16_33 C17_33 C20_33 O3_33 7.8(10) . . . . ?
C4_33 C5_33 C21_33 C22_33 158.4(7) . . . . ?
C6_33 C5_33 C21_33 C22_33 -24.8(10) . . . . ?
C4_33 C5_33 C21_33 C26_33 -26.8(10) . . . . ?
C6_33 C5_33 C21_33 C26_33 150.0(7) . . . . ?
C26_33 C21_33 C22_33 C23_33 3.1(10) . . . . ?
C5_33 C21_33 C22_33 C23_33 178.1(6) . . . . ?
C21_33 C22_33 C23_33 C24_33 2.8(11) . . . . ?
C22_33 C23_33 C24_33 C25_33 -5.7(11) . . . . ?
C22_33 C23_33 C24_33 C27_33 176.8(6) . . . . ?
C23_33 C24_33 C25_33 C26_33 2.9(12) . . . . ?
C27_33 C24_33 C25_33 C26_33 -179.7(7) . . . . ?
C24_33 C25_33 C26_33 C21_33 3.1(11) . . . . ?
C22_33 C21_33 C26_33 C25_33 -5.9(10) . . . . ?
C5_33 C21_33 C26_33 C25_33 179.0(6) . . . . ?
C23_33 C24_33 C27_33 O5_33 -9.6(11) . . . . ?
C25_33 C24_33 C27_33 O5_33 173.1(7) . . . . ?
C23_33 C24_33 C27_33 O6_33 173.0(7) . . . . ?
C25_33 C24_33 C27_33 O6_33 -4.3(11) . . . . ?
C6_34 C1_34 C2_34 C3_34 1.3(9) . . . . ?
C7_34 C1_34 C2_34 C3_34 -177.3(6) . . . . ?
C1_34 C2_34 C3_34 C4_34 -3.4(10) . . . . ?
C1_34 C2_34 C3_34 C14_34 -179.2(6) . . . . ?
C2_34 C3_34 C4_34 C5_34 3.3(10) . . . . ?
C14_34 C3_34 C4_34 C5_34 179.0(6) . . . . ?
C3_34 C4_34 C5_34 C6_34 -1.1(9) . . . . ?
C3_34 C4_34 C5_34 C21_34 177.3(6) . . . . ?
C4_34 C5_34 C6_34 C1_34 -1.0(9) . . . . ?
C21_34 C5_34 C6_34 C1_34 -179.4(6) . . . . ?
C2_34 C1_34 C6_34 C5_34 0.9(9) . . . . ?
C7_34 C1_34 C6_34 C5_34 179.5(6) . . . . ?
C2_34 C1_34 C7_34 C8_34 -26.0(10) . . . . ?
C6_34 C1_34 C7_34 C8_34 155.5(6) . . . . ?
C2_34 C1_34 C7_34 C12_34 156.5(6) . . . . ?
C6_34 C1_34 C7_34 C12_34 -21.9(10) . . . . ?
C12_34 C7_34 C8_34 C9_34 0.6(10) . . . . ?
C1_34 C7_34 C8_34 C9_34 -177.0(6) . . . . ?
C7_34 C8_34 C9_34 C10_34 -3.9(10) . . . . ?
C8_34 C9_34 C10_34 C11_34 5.6(9) . . . . ?
C8_34 C9_34 C10_34 C13_34 -177.0(6) . . . . ?
C9_34 C10_34 C11_34 C12_34 -3.9(9) . . . . ?
C13_34 C10_34 C11_34 C12_34 178.7(6) . . . . ?
C10_34 C11_34 C12_34 C7_34 0.5(9) . . . . ?
C8_34 C7_34 C12_34 C11_34 1.2(9) . . . . ?
C1_34 C7_34 C12_34 C11_34 178.7(6) . . . . ?
C11_34 C10_34 C13_34 O2_34 -2.1(9) . . . . ?
C9_34 C10_34 C13_34 O2_34 -179.6(6) . . . . ?
C11_34 C10_34 C13_34 O1_34 177.8(6) . . . . ?
C9_34 C10_34 C13_34 O1_34 0.4(9) . . . . ?
C2_34 C3_34 C14_34 C19_34 39.9(9) . . . . ?
C4_34 C3_34 C14_34 C19_34 -135.9(7) . . . . ?
C2_34 C3_34 C14_34 C15_34 -141.3(6) . . . . ?
C4_34 C3_34 C14_34 C15_34 42.9(9) . . . . ?
C19_34 C14_34 C15_34 C16_34 1.6(9) . . . . ?
C3_34 C14_34 C15_34 C16_34 -177.3(5) . . . . ?
C14_34 C15_34 C16_34 C17_34 -2.0(9) . . . . ?
C15_34 C16_34 C17_34 C18_34 0.8(10) . . . . ?
C15_34 C16_34 C17_34 C20_34 -179.5(6) . . . . ?
C16_34 C17_34 C18_34 C19_34 0.8(10) . . . . ?
C20_34 C17_34 C18_34 C19_34 -178.9(6) . . . . ?
C15_34 C14_34 C19_34 C18_34 0.0(9) . . . . ?
C3_34 C14_34 C19_34 C18_34 178.8(6) . . . . ?
C17_34 C18_34 C19_34 C14_34 -1.2(9) . . . . ?
C16_34 C17_34 C20_34 O3_34 -0.4(10) . . . . ?
C18_34 C17_34 C20_34 O3_34 179.3(6) . . . . ?
C16_34 C17_34 C20_34 O4_34 -175.6(6) . . . . ?
C18_34 C17_34 C20_34 O4_34 4.1(9) . . . . ?
C6_34 C5_34 C21_34 C26_34 150.1(6) . . . . ?
C4_34 C5_34 C21_34 C26_34 -28.2(9) . . . . ?
C6_34 C5_34 C21_34 C22_34 -31.5(9) . . . . ?
C4_34 C5_34 C21_34 C22_34 150.2(6) . . . . ?
C26_34 C21_34 C22_34 C23_34 2.4(9) . . . . ?
C5_34 C21_34 C22_34 C23_34 -176.1(6) . . . . ?
C21_34 C22_34 C23_34 C24_34 -3.6(10) . . . . ?
C22_34 C23_34 C24_34 C25_34 2.8(10) . . . . ?
C22_34 C23_34 C24_34 C27_34 -178.5(6) . . . . ?
C23_34 C24_34 C25_34 C26_34 -1.0(10) . . . . ?
C27_34 C24_34 C25_34 C26_34 -179.6(6) . . . . ?
C22_34 C21_34 C26_34 C25_34 -0.6(10) . . . . ?
C5_34 C21_34 C26_34 C25_34 177.9(6) . . . . ?
C24_34 C25_34 C26_34 C21_34 -0.1(10) . . . . ?
C23_34 C24_34 C27_34 O5_34 0.4(11) . . . . ?
C25_34 C24_34 C27_34 O5_34 179.0(7) . . . . ?
C23_34 C24_34 C27_34 O6_34 -179.2(6) . . . . ?
C25_34 C24_34 C27_34 O6_34 -0.6(10) . . . . ?
C6_35 C1_35 C2_35 C3_35 1.5(9) . . . . ?
C7_35 C1_35 C2_35 C3_35 179.4(6) . . . . ?
C1_35 C2_35 C3_35 C4_35 -0.7(10) . . . . ?
C1_35 C2_35 C3_35 C14_35 -179.0(6) . . . . ?
C2_35 C3_35 C4_35 C5_35 -0.2(9) . . . . ?
C14_35 C3_35 C4_35 C5_35 178.1(6) . . . . ?
C3_35 C4_35 C5_35 C6_35 0.2(10) . . . . ?
C3_35 C4_35 C5_35 C21_35 -178.4(6) . . . . ?
C4_35 C5_35 C6_35 C1_35 0.6(10) . . . . ?
C21_35 C5_35 C6_35 C1_35 179.3(6) . . . . ?
C2_35 C1_35 C6_35 C5_35 -1.4(9) . . . . ?
C7_35 C1_35 C6_35 C5_35 -179.4(6) . . . . ?
C6_35 C1_35 C7_35 C8_35 153.9(6) . . . . ?
C2_35 C1_35 C7_35 C8_35 -23.9(9) . . . . ?
C6_35 C1_35 C7_35 C12_35 -28.2(9) . . . . ?
C2_35 C1_35 C7_35 C12_35 154.0(6) . . . . ?
C12_35 C7_35 C8_35 C9_35 1.5(8) . . . . ?
C1_35 C7_35 C8_35 C9_35 179.5(6) . . . . ?
C7_35 C8_35 C9_35 C10_35 0.0(9) . . . . ?
C8_35 C9_35 C10_35 C11_35 -0.2(9) . . . . ?
C8_35 C9_35 C10_35 C13_35 -179.6(6) . . . . ?
C9_35 C10_35 C11_35 C12_35 -1.1(9) . . . . ?
C13_35 C10_35 C11_35 C12_35 178.3(5) . . . . ?
C10_35 C11_35 C12_35 C7_35 2.7(9) . . . . ?
C8_35 C7_35 C12_35 C11_35 -2.8(9) . . . . ?
C1_35 C7_35 C12_35 C11_35 179.2(6) . . . . ?
C9_35 C10_35 C13_35 O2_35 177.6(6) . . . . ?
C11_35 C10_35 C13_35 O2_35 -1.9(9) . . . . ?
C9_35 C10_35 C13_35 O1_35 -4.3(8) . . . . ?
C11_35 C10_35 C13_35 O1_35 176.3(5) . . . . ?
C2_35 C3_35 C14_35 C15_35 -141.0(6) . . . . ?
C4_35 C3_35 C14_35 C15_35 40.8(9) . . . . ?
C2_35 C3_35 C14_35 C19_35 38.3(9) . . . . ?
C4_35 C3_35 C14_35 C19_35 -139.9(6) . . . . ?
C19_35 C14_35 C15_35 C16_35 3.6(10) . . . . ?
C3_35 C14_35 C15_35 C16_35 -177.1(6) . . . . ?
C14_35 C15_35 C16_35 C17_35 -1.4(11) . . . . ?
C15_35 C16_35 C17_35 C18_35 -0.7(10) . . . . ?
C15_35 C16_35 C17_35 C20_35 179.5(6) . . . . ?
C16_35 C17_35 C18_35 C19_35 0.6(10) . . . . ?
C20_35 C17_35 C18_35 C19_35 -179.7(6) . . . . ?
C15_35 C14_35 C19_35 C18_35 -3.6(9) . . . . ?
C3_35 C14_35 C19_35 C18_35 177.0(6) . . . . ?
C17_35 C18_35 C19_35 C14_35 1.6(9) . . . . ?
C18_35 C17_35 C20_35 O4_35 6.8(10) . . . . ?
C16_35 C17_35 C20_35 O4_35 -173.5(6) . . . . ?
C18_35 C17_35 C20_35 O3_35 -174.5(6) . . . . ?
C16_35 C17_35 C20_35 O3_35 5.2(10) . . . . ?
C6_35 C5_35 C21_35 C22_35 -37.2(9) . . . . ?
C4_35 C5_35 C21_35 C22_35 141.5(6) . . . . ?
C6_35 C5_35 C21_35 C26_35 143.2(6) . . . . ?
C4_35 C5_35 C21_35 C26_35 -38.1(9) . . . . ?
C26_35 C21_35 C22_35 C23_35 1.5(9) . . . . ?
C5_35 C21_35 C22_35 C23_35 -178.1(5) . . . . ?
C21_35 C22_35 C23_35 C24_35 -1.4(10) . . . . ?
C22_35 C23_35 C24_35 C25_35 1.4(10) . . . . ?
C22_35 C23_35 C24_35 C27_35 179.2(6) . . . . ?
C23_35 C24_35 C25_35 C26_35 -1.5(10) . . . . ?
C27_35 C24_35 C25_35 C26_35 -179.3(6) . . . . ?
C24_35 C25_35 C26_35 C21_35 1.6(10) . . . . ?
C22_35 C21_35 C26_35 C25_35 -1.6(9) . . . . ?
C5_35 C21_35 C26_35 C25_35 178.0(6) . . . . ?
C23_35 C24_35 C27_35 O6_35 179.6(6) . . . . ?
C25_35 C24_35 C27_35 O6_35 -2.6(10) . . . . ?
C23_35 C24_35 C27_35 O5_35 -3.2(10) . . . . ?
C25_35 C24_35 C27_35 O5_35 174.5(6) . . . . ?
C6_36 C1_36 C2_36 C3_36 -0.4(9) . . . . ?
C7_36 C1_36 C2_36 C3_36 -175.4(6) . . . . ?
C1_36 C2_36 C3_36 C4_36 -3.1(9) . . . . ?
C1_36 C2_36 C3_36 C14_36 177.2(6) . . . . ?
C2_36 C3_36 C4_36 C5_36 5.9(9) . . . . ?
C14_36 C3_36 C4_36 C5_36 -174.3(6) . . . . ?
C3_36 C4_36 C5_36 C6_36 -5.3(9) . . . . ?
C3_36 C4_36 C5_36 C21_36 177.6(6) . . . . ?
C4_36 C5_36 C6_36 C1_36 1.8(9) . . . . ?
C21_36 C5_36 C6_36 C1_36 178.9(6) . . . . ?
C2_36 C1_36 C6_36 C5_36 1.0(9) . . . . ?
C7_36 C1_36 C6_36 C5_36 176.3(6) . . . . ?
C2_36 C1_36 C7_36 C12_36 159.7(6) . . . . ?
C6_36 C1_36 C7_36 C12_36 -15.2(9) . . . . ?
C2_36 C1_36 C7_36 C8_36 -21.9(9) . . . . ?
C6_36 C1_36 C7_36 C8_36 163.3(6) . . . . ?
C12_36 C7_36 C8_36 C9_36 -3.9(9) . . . . ?
C1_36 C7_36 C8_36 C9_36 177.6(6) . . . . ?
C7_36 C8_36 C9_36 C10_36 5.3(10) . . . . ?
C8_36 C9_36 C10_36 C11_36 -2.7(9) . . . . ?
C8_36 C9_36 C10_36 C13_36 175.5(6) . . . . ?
C9_36 C10_36 C11_36 C12_36 -1.1(9) . . . . ?
C13_36 C10_36 C11_36 C12_36 -179.3(6) . . . . ?
C8_36 C7_36 C12_36 C11_36 0.1(10) . . . . ?
C1_36 C7_36 C12_36 C11_36 178.5(6) . . . . ?
C10_36 C11_36 C12_36 C7_36 2.4(10) . . . . ?
C11_36 C10_36 C13_36 O1_36 175.9(6) . . . . ?
C9_36 C10_36 C13_36 O1_36 -2.3(9) . . . . ?
C11_36 C10_36 C13_36 O2_36 -5.1(9) . . . . ?
C9_36 C10_36 C13_36 O2_36 176.7(6) . . . . ?
C2_36 C3_36 C14_36 C19_36 -38.8(9) . . . . ?
C4_36 C3_36 C14_36 C19_36 141.4(7) . . . . ?
C2_36 C3_36 C14_36 C15_36 140.5(6) . . . . ?
C4_36 C3_36 C14_36 C15_36 -39.2(9) . . . . ?
C19_36 C14_36 C15_36 C16_36 -1.1(9) . . . . ?
C3_36 C14_36 C15_36 C16_36 179.5(6) . . . . ?
C14_36 C15_36 C16_36 C17_36 2.7(10) . . . . ?
C15_36 C16_36 C17_36 C18_36 -3.2(10) . . . . ?
C15_36 C16_36 C17_36 C20_36 179.5(6) . . . . ?
C16_36 C17_36 C18_36 C19_36 1.9(10) . . . . ?
C20_36 C17_36 C18_36 C19_36 179.1(6) . . . . ?
C17_36 C18_36 C19_36 C14_36 -0.3(11) . . . . ?
C15_36 C14_36 C19_36 C18_36 -0.1(10) . . . . ?
C3_36 C14_36 C19_36 C18_36 179.3(6) . . . . ?
C18_36 C17_36 C20_36 O3_36 174.7(7) . . . . ?
C16_36 C17_36 C20_36 O3_36 -8.1(10) . . . . ?
C18_36 C17_36 C20_36 O4_36 -3.1(10) . . . . ?
C16_36 C17_36 C20_36 O4_36 174.1(6) . . . . ?
C4_36 C5_36 C21_36 C26_36 34.7(9) . . . . ?
C6_36 C5_36 C21_36 C26_36 -142.4(6) . . . . ?
C4_36 C5_36 C21_36 C22_36 -144.6(6) . . . . ?
C6_36 C5_36 C21_36 C22_36 38.3(8) . . . . ?
C26_36 C21_36 C22_36 C23_36 -0.5(9) . . . . ?
C5_36 C21_36 C22_36 C23_36 178.7(5) . . . . ?
C21_36 C22_36 C23_36 C24_36 1.4(9) . . . . ?
C22_36 C23_36 C24_36 C25_36 -1.7(10) . . . . ?
C22_36 C23_36 C24_36 C27_36 179.0(6) . . . . ?
C23_36 C24_36 C25_36 C26_36 1.2(10) . . . . ?
C27_36 C24_36 C25_36 C26_36 -179.6(6) . . . . ?
C24_36 C25_36 C26_36 C21_36 -0.3(10) . . . . ?
C22_36 C21_36 C26_36 C25_36 0.0(9) . . . . ?
C5_36 C21_36 C26_36 C25_36 -179.3(6) . . . . ?
C25_36 C24_36 C27_36 O5_36 -177.2(7) . . . . ?
C23_36 C24_36 C27_36 O5_36 2.0(10) . . . . ?
C25_36 C24_36 C27_36 O6_36 6.6(9) . . . . ?
C23_36 C24_36 C27_36 O6_36 -174.1(6) . . . . ?
C6_37 C1_37 C2_37 C3_37 0.6(9) . . . . ?
C7_37 C1_37 C2_37 C3_37 178.4(5) . . . . ?
C1_37 C2_37 C3_37 C4_37 -0.8(9) . . . . ?
C1_37 C2_37 C3_37 C14_37 177.7(5) . . . . ?
C2_37 C3_37 C4_37 C5_37 1.3(8) . . . . ?
C14_37 C3_37 C4_37 C5_37 -177.3(5) . . . . ?
C3_37 C4_37 C5_37 C6_37 -1.7(8) . . . . ?
C3_37 C4_37 C5_37 C21_37 178.5(5) . . . . ?
C4_37 C5_37 C6_37 C1_37 1.6(9) . . . . ?
C21_37 C5_37 C6_37 C1_37 -178.5(5) . . . . ?
C2_37 C1_37 C6_37 C5_37 -1.1(9) . . . . ?
C7_37 C1_37 C6_37 C5_37 -178.9(5) . . . . ?
C2_37 C1_37 C7_37 C12_37 158.6(6) . . . . ?
C6_37 C1_37 C7_37 C12_37 -23.7(9) . . . . ?
C2_37 C1_37 C7_37 C8_37 -16.8(9) . . . . ?
C6_37 C1_37 C7_37 C8_37 161.0(6) . . . . ?
C12_37 C7_37 C8_37 C9_37 0.3(9) . . . . ?
C1_37 C7_37 C8_37 C9_37 175.8(6) . . . . ?
C7_37 C8_37 C9_37 C10_37 -0.4(10) . . . . ?
C8_37 C9_37 C10_37 C11_37 -0.5(10) . . . . ?
C8_37 C9_37 C10_37 C13_37 176.6(6) . . . . ?
C9_37 C10_37 C11_37 C12_37 1.5(9) . . . . ?
C13_37 C10_37 C11_37 C12_37 -175.7(6) . . . . ?
C8_37 C7_37 C12_37 C11_37 0.7(10) . . . . ?
C1_37 C7_37 C12_37 C11_37 -174.7(6) . . . . ?
C10_37 C11_37 C12_37 C7_37 -1.6(10) . . . . ?
C11_37 C10_37 C13_37 O1_37 176.4(6) . . . . ?
C9_37 C10_37 C13_37 O1_37 -0.8(9) . . . . ?
C11_37 C10_37 C13_37 O2_37 -5.5(8) . . . . ?
C9_37 C10_37 C13_37 O2_37 177.3(6) . . . . ?
C2_37 C3_37 C14_37 C15_37 144.4(6) . . . . ?
C4_37 C3_37 C14_37 C15_37 -37.0(8) . . . . ?
C2_37 C3_37 C14_37 C19_37 -34.8(8) . . . . ?
C4_37 C3_37 C14_37 C19_37 143.8(6) . . . . ?
C19_37 C14_37 C15_37 C16_37 -0.9(9) . . . . ?
C3_37 C14_37 C15_37 C16_37 179.9(5) . . . . ?
C14_37 C15_37 C16_37 C17_37 1.7(9) . . . . ?
C15_37 C16_37 C17_37 C18_37 -2.2(9) . . . . ?
C15_37 C16_37 C17_37 C20_37 -178.8(6) . . . . ?
C16_37 C17_37 C18_37 C19_37 2.0(10) . . . . ?
C20_37 C17_37 C18_37 C19_37 178.6(6) . . . . ?
C17_37 C18_37 C19_37 C14_37 -1.2(9) . . . . ?
C15_37 C14_37 C19_37 C18_37 0.7(9) . . . . ?
C3_37 C14_37 C19_37 C18_37 179.9(5) . . . . ?
C16_37 C17_37 C20_37 O3_37 -6.0(10) . . . . ?
C18_37 C17_37 C20_37 O3_37 177.5(6) . . . . ?
C16_37 C17_37 C20_37 O4_37 172.6(6) . . . . ?
C18_37 C17_37 C20_37 O4_37 -3.9(10) . . . . ?
C6_37 C5_37 C21_37 C22_37 39.6(8) . . . . ?
C4_37 C5_37 C21_37 C22_37 -140.6(6) . . . . ?
C6_37 C5_37 C21_37 C26_37 -143.5(6) . . . . ?
C4_37 C5_37 C21_37 C26_37 36.3(8) . . . . ?
C26_37 C21_37 C22_37 C23_37 2.7(9) . . . . ?
C5_37 C21_37 C22_37 C23_37 179.6(5) . . . . ?
C21_37 C22_37 C23_37 C24_37 -1.9(9) . . . . ?
C22_37 C23_37 C24_37 C25_37 -1.4(9) . . . . ?
C22_37 C23_37 C24_37 C27_37 -178.0(5) . . . . ?
C23_37 C24_37 C25_37 C26_37 3.7(9) . . . . ?
C27_37 C24_37 C25_37 C26_37 -179.7(5) . . . . ?
C24_37 C25_37 C26_37 C21_37 -3.0(9) . . . . ?
C22_37 C21_37 C26_37 C25_37 -0.2(9) . . . . ?
C5_37 C21_37 C26_37 C25_37 -177.1(5) . . . . ?
C25_37 C24_37 C27_37 O5_37 -175.8(6) . . . . ?
C23_37 C24_37 C27_37 O5_37 0.8(9) . . . . ?
C25_37 C24_37 C27_37 O6_37 6.0(9) . . . . ?
C23_37 C24_37 C27_37 O6_37 -177.4(6) . . . . ?
C6_38 C1_38 C2_38 C3_38 -2.7(8) . . . . ?
C7_38 C1_38 C2_38 C3_38 -178.5(5) . . . . ?
C1_38 C2_38 C3_38 C4_38 -0.5(9) . . . . ?
C1_38 C2_38 C3_38 C14_38 178.3(5) . . . . ?
C2_38 C3_38 C4_38 C5_38 3.3(9) . . . . ?
C14_38 C3_38 C4_38 C5_38 -175.5(6) . . . . ?
C3_38 C4_38 C5_38 C6_38 -2.5(9) . . . . ?
C3_38 C4_38 C5_38 C21_38 177.8(6) . . . . ?
C4_38 C5_38 C6_38 C1_38 -1.1(8) . . . . ?
C21_38 C5_38 C6_38 C1_38 178.6(5) . . . . ?
C2_38 C1_38 C6_38 C5_38 3.6(8) . . . . ?
C7_38 C1_38 C6_38 C5_38 179.4(5) . . . . ?
C2_38 C1_38 C7_38 C8_38 -27.5(9) . . . . ?
C6_38 C1_38 C7_38 C8_38 156.9(6) . . . . ?
C2_38 C1_38 C7_38 C12_38 154.8(6) . . . . ?
C6_38 C1_38 C7_38 C12_38 -20.8(9) . . . . ?
C12_38 C7_38 C8_38 C9_38 -2.8(9) . . . . ?
C1_38 C7_38 C8_38 C9_38 179.4(6) . . . . ?
C7_38 C8_38 C9_38 C10_38 3.2(10) . . . . ?
C8_38 C9_38 C10_38 C11_38 -2.5(10) . . . . ?
C8_38 C9_38 C10_38 C13_38 -177.7(6) . . . . ?
C9_38 C10_38 C11_38 C12_38 1.5(10) . . . . ?
C13_38 C10_38 C11_38 C12_38 176.7(6) . . . . ?
C10_38 C11_38 C12_38 C7_38 -1.2(10) . . . . ?
C8_38 C7_38 C12_38 C11_38 1.9(9) . . . . ?
C1_38 C7_38 C12_38 C11_38 179.7(6) . . . . ?
C9_38 C10_38 C13_38 O1_38 -6.0(9) . . . . ?
C11_38 C10_38 C13_38 O1_38 178.8(6) . . . . ?
C9_38 C10_38 C13_38 O2_38 173.7(6) . . . . ?
C11_38 C10_38 C13_38 O2_38 -1.5(8) . . . . ?
C4_38 C3_38 C14_38 C19_38 140.7(7) . . . . ?
C2_38 C3_38 C14_38 C19_38 -38.1(9) . . . . ?
C4_38 C3_38 C14_38 C15_38 -40.1(9) . . . . ?
C2_38 C3_38 C14_38 C15_38 141.1(6) . . . . ?
C19_38 C14_38 C15_38 C16_38 -2.9(10) . . . . ?
C3_38 C14_38 C15_38 C16_38 177.9(6) . . . . ?
C14_38 C15_38 C16_38 C17_38 1.5(11) . . . . ?
C15_38 C16_38 C17_38 C18_38 -3.4(11) . . . . ?
C15_38 C16_38 C17_38 C20_38 -176.3(6) . . . . ?
C16_38 C17_38 C18_38 C19_38 6.5(10) . . . . ?
C20_38 C17_38 C18_38 C19_38 179.5(6) . . . . ?
C15_38 C14_38 C19_38 C18_38 6.4(9) . . . . ?
C3_38 C14_38 C19_38 C18_38 -174.4(6) . . . . ?
C17_38 C18_38 C19_38 C14_38 -8.2(9) . . . . ?
C16_38 C17_38 C20_38 O3_38 -0.5(11) . . . . ?
C18_38 C17_38 C20_38 O3_38 -173.5(7) . . . . ?
C16_38 C17_38 C20_38 O4_38 173.4(6) . . . . ?
C18_38 C17_38 C20_38 O4_38 0.5(10) . . . . ?
C6_38 C5_38 C21_38 C26_38 -143.9(6) . . . . ?
C4_38 C5_38 C21_38 C26_38 35.7(9) . . . . ?
C6_38 C5_38 C21_38 C22_38 35.6(8) . . . . ?
C4_38 C5_38 C21_38 C22_38 -144.8(6) . . . . ?
C26_38 C21_38 C22_38 C23_38 1.1(9) . . . . ?
C5_38 C21_38 C22_38 C23_38 -178.4(5) . . . . ?
C21_38 C22_38 C23_38 C24_38 -2.9(9) . . . . ?
C22_38 C23_38 C24_38 C25_38 3.8(10) . . . . ?
C22_38 C23_38 C24_38 C27_38 -177.4(6) . . . . ?
C27_38 C24_38 C25_38 C26_38 178.3(6) . . . . ?
C23_38 C24_38 C25_38 C26_38 -2.9(10) . . . . ?
C24_38 C25_38 C26_38 C21_38 1.2(10) . . . . ?
C22_38 C21_38 C26_38 C25_38 -0.2(10) . . . . ?
C5_38 C21_38 C26_38 C25_38 179.3(6) . . . . ?
C25_38 C24_38 C27_38 O5_38 -169.7(6) . . . . ?
C23_38 C24_38 C27_38 O5_38 11.6(10) . . . . ?
C25_38 C24_38 C27_38 O6_38 6.7(9) . . . . ?
C23_38 C24_38 C27_38 O6_38 -172.0(6) . . . . ?
C6_39 C1_39 C2_39 C3_39 1.8(8) . . . . ?
C7_39 C1_39 C2_39 C3_39 -177.6(5) . . . . ?
C1_39 C2_39 C3_39 C4_39 -2.7(9) . . . . ?
C1_39 C2_39 C3_39 C14_39 -177.5(5) . . . . ?
C2_39 C3_39 C4_39 C5_39 -0.8(9) . . . . ?
C14_39 C3_39 C4_39 C5_39 174.0(5) . . . . ?
C3_39 C4_39 C5_39 C6_39 4.9(9) . . . . ?
C3_39 C4_39 C5_39 C21_39 178.2(6) . . . . ?
C2_39 C1_39 C6_39 C5_39 2.5(8) . . . . ?
C7_39 C1_39 C6_39 C5_39 -178.1(5) . . . . ?
C4_39 C5_39 C6_39 C1_39 -5.9(9) . . . . ?
C21_39 C5_39 C6_39 C1_39 -179.2(5) . . . . ?
C6_39 C1_39 C7_39 C12_39 24.9(9) . . . . ?
C2_39 C1_39 C7_39 C12_39 -155.6(6) . . . . ?
C6_39 C1_39 C7_39 C8_39 -153.8(5) . . . . ?
C2_39 C1_39 C7_39 C8_39 25.6(8) . . . . ?
C12_39 C7_39 C8_39 C9_39 0.5(8) . . . . ?
C1_39 C7_39 C8_39 C9_39 179.3(5) . . . . ?
C7_39 C8_39 C9_39 C10_39 1.8(8) . . . . ?
C8_39 C9_39 C10_39 C11_39 -3.1(9) . . . . ?
C8_39 C9_39 C10_39 C13_39 -179.6(5) . . . . ?
C9_39 C10_39 C11_39 C12_39 2.1(8) . . . . ?
C13_39 C10_39 C11_39 C12_39 178.4(5) . . . . ?
C10_39 C11_39 C12_39 C7_39 0.3(9) . . . . ?
C8_39 C7_39 C12_39 C11_39 -1.6(9) . . . . ?
C1_39 C7_39 C12_39 C11_39 179.7(5) . . . . ?
C11_39 C10_39 C13_39 O1_39 -178.3(5) . . . . ?
C9_39 C10_39 C13_39 O1_39 -1.9(8) . . . . ?
C11_39 C10_39 C13_39 O2_39 3.1(8) . . . . ?
C9_39 C10_39 C13_39 O2_39 179.5(5) . . . . ?
C4_39 C3_39 C14_39 C15_39 43.5(8) . . . . ?
C2_39 C3_39 C14_39 C15_39 -141.7(6) . . . . ?
C4_39 C3_39 C14_39 C19_39 -138.0(6) . . . . ?
C2_39 C3_39 C14_39 C19_39 36.8(8) . . . . ?
C19_39 C14_39 C15_39 C16_39 -0.1(9) . . . . ?
C3_39 C14_39 C15_39 C16_39 178.4(6) . . . . ?
C14_39 C15_39 C16_39 C17_39 2.8(10) . . . . ?
C15_39 C16_39 C17_39 C18_39 -3.0(10) . . . . ?
C15_39 C16_39 C17_39 C20_39 177.5(6) . . . . ?
C16_39 C17_39 C18_39 C19_39 0.6(9) . . . . ?
C20_39 C17_39 C18_39 C19_39 -180.0(5) . . . . ?
C15_39 C14_39 C19_39 C18_39 -2.4(8) . . . . ?
C3_39 C14_39 C19_39 C18_39 179.1(5) . . . . ?
C17_39 C18_39 C19_39 C14_39 2.1(9) . . . . ?
C18_39 C17_39 C20_39 O3_39 -173.7(6) . . . . ?
C16_39 C17_39 C20_39 O3_39 5.7(9) . . . . ?
C18_39 C17_39 C20_39 O4_39 6.2(9) . . . . ?
C16_39 C17_39 C20_39 O4_39 -174.4(6) . . . . ?
C4_39 C5_39 C21_39 C26_39 -32.4(9) . . . . ?
C6_39 C5_39 C21_39 C26_39 140.8(6) . . . . ?
C4_39 C5_39 C21_39 C22_39 145.7(6) . . . . ?
C6_39 C5_39 C21_39 C22_39 -41.1(8) . . . . ?
C26_39 C21_39 C22_39 C23_39 2.8(9) . . . . ?
C5_39 C21_39 C22_39 C23_39 -175.4(5) . . . . ?
C21_39 C22_39 C23_39 C24_39 -4.4(9) . . . . ?
C22_39 C23_39 C24_39 C25_39 2.8(10) . . . . ?
C22_39 C23_39 C24_39 C27_39 177.7(6) . . . . ?
C23_39 C24_39 C25_39 C26_39 0.2(10) . . . . ?
C27_39 C24_39 C25_39 C26_39 -174.7(6) . . . . ?
C22_39 C21_39 C26_39 C25_39 0.5(10) . . . . ?
C5_39 C21_39 C26_39 C25_39 178.6(6) . . . . ?
C24_39 C25_39 C26_39 C21_39 -1.9(10) . . . . ?
C23_39 C24_39 C27_39 O5_39 -1.4(10) . . . . ?
C25_39 C24_39 C27_39 O5_39 173.6(7) . . . . ?
C23_39 C24_39 C27_39 O6_39 174.8(6) . . . . ?
C25_39 C24_39 C27_39 O6_39 -10.2(10) . . . . ?
C6_40 C1_40 C2_40 C3_40 3.6(8) . . . . ?
C7_40 C1_40 C2_40 C3_40 -179.6(5) . . . . ?
C1_40 C2_40 C3_40 C4_40 -2.2(8) . . . . ?
C1_40 C2_40 C3_40 C14_40 176.9(5) . . . . ?
C2_40 C3_40 C4_40 C5_40 -1.3(9) . . . . ?
C14_40 C3_40 C4_40 C5_40 179.6(6) . . . . ?
C3_40 C4_40 C5_40 C6_40 3.2(9) . . . . ?
C3_40 C4_40 C5_40 C21_40 -178.2(6) . . . . ?
C4_40 C5_40 C6_40 C1_40 -1.5(9) . . . . ?
C21_40 C5_40 C6_40 C1_40 179.8(6) . . . . ?
C2_40 C1_40 C6_40 C5_40 -1.8(8) . . . . ?
C7_40 C1_40 C6_40 C5_40 -178.5(6) . . . . ?
C6_40 C1_40 C7_40 C8_40 -157.5(6) . . . . ?
C2_40 C1_40 C7_40 C8_40 25.9(8) . . . . ?
C6_40 C1_40 C7_40 C12_40 22.0(8) . . . . ?
C2_40 C1_40 C7_40 C12_40 -154.6(5) . . . . ?
C12_40 C7_40 C8_40 C9_40 -2.6(9) . . . . ?
C1_40 C7_40 C8_40 C9_40 176.9(6) . . . . ?
C7_40 C8_40 C9_40 C10_40 0.7(10) . . . . ?
C8_40 C9_40 C10_40 C11_40 -0.7(9) . . . . ?
C8_40 C9_40 C10_40 C13_40 -177.6(6) . . . . ?
C9_40 C10_40 C11_40 C12_40 2.8(9) . . . . ?
C13_40 C10_40 C11_40 C12_40 179.6(6) . . . . ?
C10_40 C11_40 C12_40 C7_40 -4.7(9) . . . . ?
C8_40 C7_40 C12_40 C11_40 4.4(8) . . . . ?
C1_40 C7_40 C12_40 C11_40 -175.1(5) . . . . ?
C11_40 C10_40 C13_40 O1_40 -177.5(6) . . . . ?
C9_40 C10_40 C13_40 O1_40 -0.7(9) . . . . ?
C11_40 C10_40 C13_40 O2_40 0.1(9) . . . . ?
C9_40 C10_40 C13_40 O2_40 176.9(6) . . . . ?
C4_40 C3_40 C14_40 C15_40 33.0(9) . . . . ?
C2_40 C3_40 C14_40 C15_40 -146.0(6) . . . . ?
C4_40 C3_40 C14_40 C19_40 -142.9(6) . . . . ?
C2_40 C3_40 C14_40 C19_40 38.0(8) . . . . ?
C19_40 C14_40 C15_40 C16_40 -3.7(9) . . . . ?
C3_40 C14_40 C15_40 C16_40 -179.8(6) . . . . ?
C14_40 C15_40 C16_40 C17_40 3.2(9) . . . . ?
C15_40 C16_40 C17_40 C18_40 -3.2(9) . . . . ?
C15_40 C16_40 C17_40 C20_40 178.6(6) . . . . ?
C16_40 C17_40 C18_40 C19_40 3.8(9) . . . . ?
C20_40 C17_40 C18_40 C19_40 -177.9(6) . . . . ?
C17_40 C18_40 C19_40 C14_40 -4.3(9) . . . . ?
C15_40 C14_40 C19_40 C18_40 4.2(9) . . . . ?
C3_40 C14_40 C19_40 C18_40 -179.8(5) . . . . ?
C16_40 C17_40 C20_40 O4_40 -176.6(6) . . . . ?
C18_40 C17_40 C20_40 O4_40 5.1(10) . . . . ?
C16_40 C17_40 C20_40 O3_40 1.1(10) . . . . ?
C18_40 C17_40 C20_40 O3_40 -177.2(6) . . . . ?
C4_40 C5_40 C21_40 C22_40 143.4(6) . . . . ?
C6_40 C5_40 C21_40 C22_40 -38.0(9) . . . . ?
C4_40 C5_40 C21_40 C26_40 -34.4(9) . . . . ?
C6_40 C5_40 C21_40 C26_40 144.2(6) . . . . ?
C26_40 C21_40 C22_40 C23_40 -1.8(10) . . . . ?
C5_40 C21_40 C22_40 C23_40 -179.7(6) . . . . ?
C21_40 C22_40 C23_40 C24_40 0.6(10) . . . . ?
C22_40 C23_40 C24_40 C25_40 0.0(10) . . . . ?
C22_40 C23_40 C24_40 C27_40 -179.9(6) . . . . ?
C23_40 C24_40 C25_40 C26_40 0.7(10) . . . . ?
C27_40 C24_40 C25_40 C26_40 -179.4(6) . . . . ?
C22_40 C21_40 C26_40 C25_40 2.5(10) . . . . ?
C5_40 C21_40 C26_40 C25_40 -179.6(6) . . . . ?
C24_40 C25_40 C26_40 C21_40 -2.0(10) . . . . ?
C25_40 C24_40 C27_40 O6_40 -1.0(10) . . . . ?
C23_40 C24_40 C27_40 O6_40 178.9(6) . . . . ?
C25_40 C24_40 C27_40 O5_40 174.9(6) . . . . ?
C23_40 C24_40 C27_40 O5_40 -5.2(9) . . . . ?
C6_41 C1_41 C2_41 C3_41 0.0(9) . . . . ?
C7_41 C1_41 C2_41 C3_41 -177.2(6) . . . . ?
C1_41 C2_41 C3_41 C4_41 0.5(9) . . . . ?
C1_41 C2_41 C3_41 C14_41 178.8(6) . . . . ?
C2_41 C3_41 C4_41 C5_41 -0.6(9) . . . . ?
C14_41 C3_41 C4_41 C5_41 -179.0(5) . . . . ?
C3_41 C4_41 C5_41 C6_41 0.2(9) . . . . ?
C3_41 C4_41 C5_41 C21_41 -178.0(5) . . . . ?
C4_41 C5_41 C6_41 C1_41 0.3(9) . . . . ?
C21_41 C5_41 C6_41 C1_41 178.5(5) . . . . ?
C2_41 C1_41 C6_41 C5_41 -0.4(9) . . . . ?
C7_41 C1_41 C6_41 C5_41 176.8(5) . . . . ?
C2_41 C1_41 C7_41 C12_41 -157.5(6) . . . . ?
C6_41 C1_41 C7_41 C12_41 25.4(9) . . . . ?
C2_41 C1_41 C7_41 C8_41 23.0(9) . . . . ?
C6_41 C1_41 C7_41 C8_41 -154.1(6) . . . . ?
C12_41 C7_41 C8_41 C9_41 -2.0(9) . . . . ?
C1_41 C7_41 C8_41 C9_41 177.5(5) . . . . ?
C7_41 C8_41 C9_41 C10_41 2.6(9) . . . . ?
C8_41 C9_41 C10_41 C11_41 -3.3(9) . . . . ?
C8_41 C9_41 C10_41 C13_41 -176.7(5) . . . . ?
C9_41 C10_41 C11_41 C12_41 3.3(9) . . . . ?
C13_41 C10_41 C11_41 C12_41 176.7(5) . . . . ?
C8_41 C7_41 C12_41 C11_41 1.9(9) . . . . ?
C1_41 C7_41 C12_41 C11_41 -177.6(5) . . . . ?
C10_41 C11_41 C12_41 C7_41 -2.6(9) . . . . ?
C11_41 C10_41 C13_41 O2_41 3.2(9) . . . . ?
C9_41 C10_41 C13_41 O2_41 176.7(6) . . . . ?
C11_41 C10_41 C13_41 O1_41 -176.5(6) . . . . ?
C9_41 C10_41 C13_41 O1_41 -3.0(9) . . . . ?
C4_41 C3_41 C14_41 C15_41 28.3(9) . . . . ?
C2_41 C3_41 C14_41 C15_41 -150.0(6) . . . . ?
C4_41 C3_41 C14_41 C19_41 -147.0(6) . . . . ?
C2_41 C3_41 C14_41 C19_41 34.7(8) . . . . ?
C19_41 C14_41 C15_41 C16_41 -4.3(9) . . . . ?
C3_41 C14_41 C15_41 C16_41 -179.7(6) . . . . ?
C14_41 C15_41 C16_41 C17_41 2.8(10) . . . . ?
C15_41 C16_41 C17_41 C18_41 -0.4(9) . . . . ?
C15_41 C16_41 C17_41 C20_41 178.6(6) . . . . ?
C16_41 C17_41 C18_41 C19_41 -0.2(9) . . . . ?
C20_41 C17_41 C18_41 C19_41 -179.2(6) . . . . ?
C17_41 C18_41 C19_41 C14_41 -1.5(10) . . . . ?
C15_41 C14_41 C19_41 C18_41 3.7(9) . . . . ?
C3_41 C14_41 C19_41 C18_41 179.3(6) . . . . ?
C16_41 C17_41 C20_41 O4_41 -178.5(6) . . . . ?
C18_41 C17_41 C20_41 O4_41 0.4(9) . . . . ?
C16_41 C17_41 C20_41 O3_41 3.6(9) . . . . ?
C18_41 C17_41 C20_41 O3_41 -177.4(6) . . . . ?
C6_41 C5_41 C21_41 C22_41 -39.1(9) . . . . ?
C4_41 C5_41 C21_41 C22_41 139.1(6) . . . . ?
C6_41 C5_41 C21_41 C26_41 138.2(6) . . . . ?
C4_41 C5_41 C21_41 C26_41 -43.6(8) . . . . ?
C26_41 C21_41 C22_41 C23_41 1.9(10) . . . . ?
C5_41 C21_41 C22_41 C23_41 179.2(6) . . . . ?
C21_41 C22_41 C23_41 C24_41 0.3(10) . . . . ?
C22_41 C23_41 C24_41 C27_41 179.9(6) . . . . ?
C22_41 C23_41 C24_41 C25_41 -3.6(10) . . . . ?
C23_41 C24_41 C25_41 C26_41 4.7(10) . . . . ?
C27_41 C24_41 C25_41 C26_41 -178.6(6) . . . . ?
C24_41 C25_41 C26_41 C21_41 -2.8(10) . . . . ?
C22_41 C21_41 C26_41 C25_41 -0.6(10) . . . . ?
C5_41 C21_41 C26_41 C25_41 -177.8(6) . . . . ?
C23_41 C24_41 C27_41 O5_41 -6.7(11) . . . . ?
C25_41 C24_41 C27_41 O5_41 176.8(6) . . . . ?
C23_41 C24_41 C27_41 O6_41 174.0(6) . . . . ?
C25_41 C24_41 C27_41 O6_41 -2.4(10) . . . . ?
C6_42 C1_42 C2_42 C3_42 0.2(8) . . . . ?
C7_42 C1_42 C2_42 C3_42 -177.9(5) . . . . ?
C1_42 C2_42 C3_42 C4_42 0.7(8) . . . . ?
C1_42 C2_42 C3_42 C14_42 174.9(5) . . . . ?
C2_42 C3_42 C4_42 C5_42 -3.9(9) . . . . ?
C14_42 C3_42 C4_42 C5_42 -178.1(5) . . . . ?
C3_42 C4_42 C5_42 C6_42 5.8(9) . . . . ?
C3_42 C4_42 C5_42 C21_42 -174.4(5) . . . . ?
C4_42 C5_42 C6_42 C1_42 -4.9(9) . . . . ?
C21_42 C5_42 C6_42 C1_42 175.3(5) . . . . ?
C2_42 C1_42 C6_42 C5_42 2.0(8) . . . . ?
C7_42 C1_42 C6_42 C5_42 -179.9(5) . . . . ?
C6_42 C1_42 C7_42 C8_42 -150.9(6) . . . . ?
C2_42 C1_42 C7_42 C8_42 27.1(9) . . . . ?
C6_42 C1_42 C7_42 C12_42 28.5(9) . . . . ?
C2_42 C1_42 C7_42 C12_42 -153.5(5) . . . . ?
C12_42 C7_42 C8_42 C9_42 -1.0(9) . . . . ?
C1_42 C7_42 C8_42 C9_42 178.5(6) . . . . ?
C7_42 C8_42 C9_42 C10_42 0.5(9) . . . . ?
C8_42 C9_42 C10_42 C11_42 -0.3(9) . . . . ?
C8_42 C9_42 C10_42 C13_42 -177.5(5) . . . . ?
C9_42 C10_42 C11_42 C12_42 0.7(9) . . . . ?
C13_42 C10_42 C11_42 C12_42 177.9(5) . . . . ?
C10_42 C11_42 C12_42 C7_42 -1.3(9) . . . . ?
C8_42 C7_42 C12_42 C11_42 1.3(8) . . . . ?
C1_42 C7_42 C12_42 C11_42 -178.1(5) . . . . ?
C11_42 C10_42 C13_42 O1_42 -174.6(6) . . . . ?
C9_42 C10_42 C13_42 O1_42 2.5(9) . . . . ?
C11_42 C10_42 C13_42 O2_42 2.5(9) . . . . ?
C9_42 C10_42 C13_42 O2_42 179.7(6) . . . . ?
C2_42 C3_42 C14_42 C15_42 -140.8(6) . . . . ?
C4_42 C3_42 C14_42 C15_42 33.2(8) . . . . ?
C2_42 C3_42 C14_42 C19_42 37.7(8) . . . . ?
C4_42 C3_42 C14_42 C19_42 -148.3(6) . . . . ?
C19_42 C14_42 C15_42 C16_42 -0.3(9) . . . . ?
C3_42 C14_42 C15_42 C16_42 178.2(6) . . . . ?
C14_42 C15_42 C16_42 C17_42 -1.3(10) . . . . ?
C15_42 C16_42 C17_42 C18_42 2.2(10) . . . . ?
C15_42 C16_42 C17_42 C20_42 -176.6(6) . . . . ?
C16_42 C17_42 C18_42 C19_42 -1.8(11) . . . . ?
C20_42 C17_42 C18_42 C19_42 177.0(6) . . . . ?
C17_42 C18_42 C19_42 C14_42 0.3(10) . . . . ?
C15_42 C14_42 C19_42 C18_42 0.7(9) . . . . ?
C3_42 C14_42 C19_42 C18_42 -177.8(6) . . . . ?
C16_42 C17_42 C20_42 O3_42 0.6(11) . . . . ?
C18_42 C17_42 C20_42 O3_42 -178.1(7) . . . . ?
C16_42 C17_42 C20_42 O4_42 -179.8(7) . . . . ?
C18_42 C17_42 C20_42 O4_42 1.5(10) . . . . ?
C4_42 C5_42 C21_42 C26_42 -42.5(8) . . . . ?
C6_42 C5_42 C21_42 C26_42 137.3(6) . . . . ?
C4_42 C5_42 C21_42 C22_42 135.2(6) . . . . ?
C6_42 C5_42 C21_42 C22_42 -45.0(8) . . . . ?
C26_42 C21_42 C22_42 C23_42 1.3(9) . . . . ?
C5_42 C21_42 C22_42 C23_42 -176.4(5) . . . . ?
C21_42 C22_42 C23_42 C24_42 -1.6(9) . . . . ?
C22_42 C23_42 C24_42 C25_42 -1.5(10) . . . . ?
C22_42 C23_42 C24_42 C27_42 -180.0(6) . . . . ?
C23_42 C24_42 C25_42 C26_42 4.7(10) . . . . ?
C27_42 C24_42 C25_42 C26_42 -176.8(6) . . . . ?
C24_42 C25_42 C26_42 C21_42 -5.0(10) . . . . ?
C22_42 C21_42 C26_42 C25_42 2.0(9) . . . . ?
C5_42 C21_42 C26_42 C25_42 179.7(6) . . . . ?
C25_42 C24_42 C27_42 O5_42 172.1(7) . . . . ?
C23_42 C24_42 C27_42 O5_42 -9.4(10) . . . . ?
C25_42 C24_42 C27_42 O6_42 -11.9(10) . . . . ?
C23_42 C24_42 C27_42 O6_42 166.6(6) . . . . ?
C6_43 C1_43 C2_43 C3_43 2.1(9) . . . . ?
C7_43 C1_43 C2_43 C3_43 179.9(6) . . . . ?
C1_43 C2_43 C3_43 C4_43 -2.0(9) . . . . ?
C1_43 C2_43 C3_43 C14_43 179.1(6) . . . . ?
C2_43 C3_43 C4_43 C5_43 2.0(9) . . . . ?
C14_43 C3_43 C4_43 C5_43 -179.0(5) . . . . ?
C3_43 C4_43 C5_43 C6_43 -2.2(9) . . . . ?
C3_43 C4_43 C5_43 C21_43 173.7(5) . . . . ?
C4_43 C5_43 C6_43 C1_43 2.2(9) . . . . ?
C21_43 C5_43 C6_43 C1_43 -173.7(5) . . . . ?
C2_43 C1_43 C6_43 C5_43 -2.1(9) . . . . ?
C7_43 C1_43 C6_43 C5_43 -179.9(5) . . . . ?
C2_43 C1_43 C7_43 C12_43 -140.7(6) . . . . ?
C6_43 C1_43 C7_43 C12_43 37.1(9) . . . . ?
C2_43 C1_43 C7_43 C8_43 38.2(9) . . . . ?
C6_43 C1_43 C7_43 C8_43 -144.1(6) . . . . ?
C12_43 C7_43 C8_43 C9_43 1.1(9) . . . . ?
C1_43 C7_43 C8_43 C9_43 -177.8(6) . . . . ?
C7_43 C8_43 C9_43 C10_43 2.0(10) . . . . ?
C8_43 C9_43 C10_43 C11_43 -3.6(10) . . . . ?
C8_43 C9_43 C10_43 C13_43 178.0(6) . . . . ?
C9_43 C10_43 C11_43 C12_43 2.3(10) . . . . ?
C13_43 C10_43 C11_43 C12_43 -179.3(6) . . . . ?
C8_43 C7_43 C12_43 C11_43 -2.4(9) . . . . ?
C1_43 C7_43 C12_43 C11_43 176.4(5) . . . . ?
C10_43 C11_43 C12_43 C7_43 0.7(10) . . . . ?
C11_43 C10_43 C13_43 O2_43 4.5(10) . . . . ?
C9_43 C10_43 C13_43 O2_43 -177.2(6) . . . . ?
C11_43 C10_43 C13_43 O1_43 -174.8(6) . . . . ?
C9_43 C10_43 C13_43 O1_43 3.5(10) . . . . ?
C2_43 C3_43 C14_43 C15_43 -154.6(6) . . . . ?
C4_43 C3_43 C14_43 C15_43 26.5(9) . . . . ?
C2_43 C3_43 C14_43 C19_43 23.6(8) . . . . ?
C4_43 C3_43 C14_43 C19_43 -155.3(5) . . . . ?
C19_43 C14_43 C15_43 C16_43 2.1(8) . . . . ?
C3_43 C14_43 C15_43 C16_43 -179.6(5) . . . . ?
C14_43 C15_43 C16_43 C17_43 -0.9(9) . . . . ?
C15_43 C16_43 C17_43 C18_43 0.1(9) . . . . ?
C15_43 C16_43 C17_43 C20_43 -179.8(5) . . . . ?
C16_43 C17_43 C18_43 C19_43 -0.6(8) . . . . ?
C20_43 C17_43 C18_43 C19_43 179.3(5) . . . . ?
C17_43 C18_43 C19_43 C14_43 1.9(8) . . . . ?
C15_43 C14_43 C19_43 C18_43 -2.5(8) . . . . ?
C3_43 C14_43 C19_43 C18_43 179.2(5) . . . . ?
C18_43 C17_43 C20_43 O4_43 4.4(9) . . . . ?
C16_43 C17_43 C20_43 O4_43 -175.7(6) . . . . ?
C18_43 C17_43 C20_43 O3_43 -176.7(6) . . . . ?
C16_43 C17_43 C20_43 O3_43 3.3(9) . . . . ?
C4_43 C5_43 C21_43 C26_43 -34.9(9) . . . . ?
C6_43 C5_43 C21_43 C26_43 141.0(6) . . . . ?
C4_43 C5_43 C21_43 C22_43 142.8(6) . . . . ?
C6_43 C5_43 C21_43 C22_43 -41.3(8) . . . . ?
C26_43 C21_43 C22_43 C23_43 -3.5(9) . . . . ?
C5_43 C21_43 C22_43 C23_43 178.8(5) . . . . ?
C21_43 C22_43 C23_43 C24_43 2.4(9) . . . . ?
C22_43 C23_43 C24_43 C25_43 -2.0(10) . . . . ?
C22_43 C23_43 C24_43 C27_43 -178.4(6) . . . . ?
C23_43 C24_43 C25_43 C26_43 2.5(10) . . . . ?
C27_43 C24_43 C25_43 C26_43 178.9(6) . . . . ?
C22_43 C21_43 C26_43 C25_43 4.1(10) . . . . ?
C5_43 C21_43 C26_43 C25_43 -178.2(6) . . . . ?
C24_43 C25_43 C26_43 C21_43 -3.7(10) . . . . ?
C25_43 C24_43 C27_43 O5_43 173.3(6) . . . . ?
C23_43 C24_43 C27_43 O5_43 -10.3(9) . . . . ?
C25_43 C24_43 C27_43 O6_43 -4.9(10) . . . . ?
C23_43 C24_43 C27_43 O6_43 171.5(6) . . . . ?
C6_44 C1_44 C2_44 C3_44 3.3(9) . . . . ?
C7_44 C1_44 C2_44 C3_44 -176.5(5) . . . . ?
C1_44 C2_44 C3_44 C4_44 -3.8(9) . . . . ?
C1_44 C2_44 C3_44 C14_44 179.5(5) . . . . ?
C2_44 C3_44 C4_44 C5_44 0.9(8) . . . . ?
C14_44 C3_44 C4_44 C5_44 177.6(5) . . . . ?
C3_44 C4_44 C5_44 C6_44 2.5(9) . . . . ?
C3_44 C4_44 C5_44 C21_44 -177.0(5) . . . . ?
C4_44 C5_44 C6_44 C1_44 -3.0(9) . . . . ?
C21_44 C5_44 C6_44 C1_44 176.5(5) . . . . ?
C2_44 C1_44 C6_44 C5_44 0.2(9) . . . . ?
C7_44 C1_44 C6_44 C5_44 -179.9(6) . . . . ?
C6_44 C1_44 C7_44 C12_44 30.1(9) . . . . ?
C2_44 C1_44 C7_44 C12_44 -150.1(6) . . . . ?
C6_44 C1_44 C7_44 C8_44 -157.9(6) . . . . ?
C2_44 C1_44 C7_44 C8_44 21.9(8) . . . . ?
C12_44 C7_44 C8_44 C9_44 -6.0(8) . . . . ?
C1_44 C7_44 C8_44 C9_44 -178.2(5) . . . . ?
C7_44 C8_44 C9_44 C10_44 2.5(8) . . . . ?
C8_44 C9_44 C10_44 C11_44 1.6(8) . . . . ?
C8_44 C9_44 C10_44 C13_44 -178.1(5) . . . . ?
C9_44 C10_44 C11_44 C12_44 -2.1(8) . . . . ?
C13_44 C10_44 C11_44 C12_44 177.6(5) . . . . ?
C10_44 C11_44 C12_44 C7_44 -1.5(9) . . . . ?
C8_44 C7_44 C12_44 C11_44 5.5(9) . . . . ?
C1_44 C7_44 C12_44 C11_44 177.6(5) . . . . ?
C11_44 C10_44 C13_44 O1_44 -177.7(6) . . . . ?
C9_44 C10_44 C13_44 O1_44 2.0(9) . . . . ?
C11_44 C10_44 C13_44 O2_44 6.9(8) . . . . ?
C9_44 C10_44 C13_44 O2_44 -173.4(5) . . . . ?
C2_44 C3_44 C14_44 C19_44 34.8(8) . . . . ?
C4_44 C3_44 C14_44 C19_44 -141.8(6) . . . . ?
C2_44 C3_44 C14_44 C15_44 -145.0(6) . . . . ?
C4_44 C3_44 C14_44 C15_44 38.4(8) . . . . ?
C19_44 C14_44 C15_44 C16_44 0.6(9) . . . . ?
C3_44 C14_44 C15_44 C16_44 -179.6(5) . . . . ?
C14_44 C15_44 C16_44 C17_44 -0.5(9) . . . . ?
C15_44 C16_44 C17_44 C18_44 -0.7(9) . . . . ?
C15_44 C16_44 C17_44 C20_44 -179.0(6) . . . . ?
C16_44 C17_44 C18_44 C19_44 1.9(9) . . . . ?
C20_44 C17_44 C18_44 C19_44 -179.8(5) . . . . ?
C15_44 C14_44 C19_44 C18_44 0.6(8) . . . . ?
C3_44 C14_44 C19_44 C18_44 -179.2(5) . . . . ?
C17_44 C18_44 C19_44 C14_44 -1.9(9) . . . . ?
C16_44 C17_44 C20_44 O4_44 -177.3(6) . . . . ?
C18_44 C17_44 C20_44 O4_44 4.5(9) . . . . ?
C16_44 C17_44 C20_44 O3_44 4.4(8) . . . . ?
C18_44 C17_44 C20_44 O3_44 -173.9(6) . . . . ?
C6_44 C5_44 C21_44 C26_44 144.3(6) . . . . ?
C4_44 C5_44 C21_44 C26_44 -36.2(8) . . . . ?
C6_44 C5_44 C21_44 C22_44 -36.5(8) . . . . ?
C4_44 C5_44 C21_44 C22_44 143.0(6) . . . . ?
C26_44 C21_44 C22_44 C23_44 -0.4(9) . . . . ?
C5_44 C21_44 C22_44 C23_44 -179.6(5) . . . . ?
C21_44 C22_44 C23_44 C24_44 -0.7(9) . . . . ?
C22_44 C23_44 C24_44 C25_44 3.3(9) . . . . ?
C22_44 C23_44 C24_44 C27_44 176.9(6) . . . . ?
C23_44 C24_44 C25_44 C26_44 -4.8(10) . . . . ?
C27_44 C24_44 C25_44 C26_44 -178.4(6) . . . . ?
C24_44 C25_44 C26_44 C21_44 3.7(10) . . . . ?
C22_44 C21_44 C26_44 C25_44 -1.1(9) . . . . ?
C5_44 C21_44 C26_44 C25_44 178.0(6) . . . . ?
C25_44 C24_44 C27_44 O6_44 -6.6(9) . . . . ?
C23_44 C24_44 C27_44 O6_44 179.8(6) . . . . ?
C25_44 C24_44 C27_44 O5_44 173.5(6) . . . . ?
C23_44 C24_44 C27_44 O5_44 -0.1(9) . . . . ?
C6_45 C1_45 C2_45 C3_45 -4.3(9) . . . . ?
C7_45 C1_45 C2_45 C3_45 178.3(6) . . . . ?
C1_45 C2_45 C3_45 C4_45 3.9(9) . . . . ?
C1_45 C2_45 C3_45 C14_45 -176.9(6) . . . . ?
C2_45 C3_45 C4_45 C5_45 -2.9(9) . . . . ?
C14_45 C3_45 C4_45 C5_45 177.9(6) . . . . ?
C3_45 C4_45 C5_45 C6_45 2.5(9) . . . . ?
C3_45 C4_45 C5_45 C21_45 -173.6(6) . . . . ?
C4_45 C5_45 C6_45 C1_45 -3.3(9) . . . . ?
C21_45 C5_45 C6_45 C1_45 172.8(6) . . . . ?
C2_45 C1_45 C6_45 C5_45 4.1(9) . . . . ?
C7_45 C1_45 C6_45 C5_45 -178.6(6) . . . . ?
C6_45 C1_45 C7_45 C12_45 28.9(9) . . . . ?
C2_45 C1_45 C7_45 C12_45 -154.0(6) . . . . ?
C6_45 C1_45 C7_45 C8_45 -151.1(6) . . . . ?
C2_45 C1_45 C7_45 C8_45 26.1(9) . . . . ?
C12_45 C7_45 C8_45 C9_45 2.0(9) . . . . ?
C1_45 C7_45 C8_45 C9_45 -178.1(6) . . . . ?
C7_45 C8_45 C9_45 C10_45 -1.3(9) . . . . ?
C8_45 C9_45 C10_45 C11_45 -0.5(9) . . . . ?
C8_45 C9_45 C10_45 C13_45 -178.8(5) . . . . ?
C9_45 C10_45 C11_45 C12_45 1.5(9) . . . . ?
C13_45 C10_45 C11_45 C12_45 179.7(6) . . . . ?
C8_45 C7_45 C12_45 C11_45 -1.0(9) . . . . ?
C1_45 C7_45 C12_45 C11_45 179.1(5) . . . . ?
C10_45 C11_45 C12_45 C7_45 -0.7(9) . . . . ?
C11_45 C10_45 C13_45 O1_45 -175.5(6) . . . . ?
C9_45 C10_45 C13_45 O1_45 2.7(10) . . . . ?
C11_45 C10_45 C13_45 O2_45 5.2(9) . . . . ?
C9_45 C10_45 C13_45 O2_45 -176.6(5) . . . . ?
C2_45 C3_45 C14_45 C19_45 37.2(9) . . . . ?
C4_45 C3_45 C14_45 C19_45 -143.6(6) . . . . ?
C2_45 C3_45 C14_45 C15_45 -140.1(6) . . . . ?
C4_45 C3_45 C14_45 C15_45 39.1(8) . . . . ?
C19_45 C14_45 C15_45 C16_45 4.5(10) . . . . ?
C3_45 C14_45 C15_45 C16_45 -178.2(6) . . . . ?
C14_45 C15_45 C16_45 C17_45 -3.8(11) . . . . ?
C15_45 C16_45 C17_45 C20_45 -177.9(7) . . . . ?
C15_45 C16_45 C17_45 C18_45 0.2(11) . . . . ?
C16_45 C17_45 C18_45 C19_45 2.5(10) . . . . ?
C20_45 C17_45 C18_45 C19_45 -179.3(6) . . . . ?
C15_45 C14_45 C19_45 C18_45 -1.8(9) . . . . ?
C3_45 C14_45 C19_45 C18_45 -179.1(6) . . . . ?
C17_45 C18_45 C19_45 C14_45 -1.7(10) . . . . ?
C16_45 C17_45 C20_45 O4_45 -173.9(7) . . . . ?
C18_45 C17_45 C20_45 O4_45 7.9(10) . . . . ?
C16_45 C17_45 C20_45 O3_45 4.6(10) . . . . ?
C18_45 C17_45 C20_45 O3_45 -173.6(6) . . . . ?
C6_45 C5_45 C21_45 C26_45 141.4(7) . . . . ?
C4_45 C5_45 C21_45 C26_45 -42.6(9) . . . . ?
C6_45 C5_45 C21_45 C22_45 -36.3(9) . . . . ?
C4_45 C5_45 C21_45 C22_45 139.7(6) . . . . ?
C26_45 C21_45 C22_45 C23_45 6.9(10) . . . . ?
C5_45 C21_45 C22_45 C23_45 -175.3(6) . . . . ?
C21_45 C22_45 C23_45 C24_45 -5.4(10) . . . . ?
C22_45 C23_45 C24_45 C25_45 2.2(10) . . . . ?
C22_45 C23_45 C24_45 C27_45 179.6(6) . . . . ?
C23_45 C24_45 C25_45 C26_45 -0.7(11) . . . . ?
C27_45 C24_45 C25_45 C26_45 -178.0(6) . . . . ?
C22_45 C21_45 C26_45 C25_45 -5.1(11) . . . . ?
C5_45 C21_45 C26_45 C25_45 177.1(6) . . . . ?
C24_45 C25_45 C26_45 C21_45 2.2(11) . . . . ?
C23_45 C24_45 C27_45 O5_45 1.1(11) . . . . ?
C25_45 C24_45 C27_45 O5_45 178.5(7) . . . . ?
C23_45 C24_45 C27_45 O6_45 179.8(7) . . . . ?
C25_45 C24_45 C27_45 O6_45 -2.7(10) . . . . ?
C6_46 C1_46 C2_46 C3_46 -2.1(9) . . . . ?
C7_46 C1_46 C2_46 C3_46 178.6(5) . . . . ?
C1_46 C2_46 C3_46 C4_46 -1.1(9) . . . . ?
C1_46 C2_46 C3_46 C14_46 -173.8(6) . . . . ?
C2_46 C3_46 C4_46 C5_46 4.0(9) . . . . ?
C14_46 C3_46 C4_46 C5_46 176.8(6) . . . . ?
C3_46 C4_46 C5_46 C6_46 -3.6(9) . . . . ?
C3_46 C4_46 C5_46 C21_46 175.6(6) . . . . ?
C2_46 C1_46 C6_46 C5_46 2.6(9) . . . . ?
C7_46 C1_46 C6_46 C5_46 -178.0(6) . . . . ?
C4_46 C5_46 C6_46 C1_46 0.2(9) . . . . ?
C21_46 C5_46 C6_46 C1_46 -179.0(6) . . . . ?
C6_46 C1_46 C7_46 C12_46 21.0(9) . . . . ?
C2_46 C1_46 C7_46 C12_46 -159.7(6) . . . . ?
C6_46 C1_46 C7_46 C8_46 -153.5(6) . . . . ?
C2_46 C1_46 C7_46 C8_46 25.9(8) . . . . ?
C12_46 C7_46 C8_46 C9_46 5.9(9) . . . . ?
C1_46 C7_46 C8_46 C9_46 -179.6(5) . . . . ?
C7_46 C8_46 C9_46 C10_46 -5.3(9) . . . . ?
C8_46 C9_46 C10_46 C11_46 1.6(9) . . . . ?
C8_46 C9_46 C10_46 C13_46 -177.8(5) . . . . ?
C9_46 C10_46 C11_46 C12_46 1.7(9) . . . . ?
C13_46 C10_46 C11_46 C12_46 -178.9(5) . . . . ?
C8_46 C7_46 C12_46 C11_46 -2.7(9) . . . . ?
C1_46 C7_46 C12_46 C11_46 -177.2(5) . . . . ?
C10_46 C11_46 C12_46 C7_46 -1.1(9) . . . . ?
C11_46 C10_46 C13_46 O2_46 -1.0(9) . . . . ?
C9_46 C10_46 C13_46 O2_46 178.3(6) . . . . ?
C11_46 C10_46 C13_46 O1_46 -176.6(5) . . . . ?
C9_46 C10_46 C13_46 O1_46 2.7(8) . . . . ?
C2_46 C3_46 C14_46 C15_46 140.1(7) . . . . ?
C4_46 C3_46 C14_46 C15_46 -32.3(9) . . . . ?
C2_46 C3_46 C14_46 C19_46 -43.3(9) . . . . ?
C4_46 C3_46 C14_46 C19_46 144.3(6) . . . . ?
C19_46 C14_46 C15_46 C16_46 2.8(10) . . . . ?
C3_46 C14_46 C15_46 C16_46 179.3(6) . . . . ?
C14_46 C15_46 C16_46 C17_46 -5.7(11) . . . . ?
C15_46 C16_46 C17_46 C18_46 6.0(11) . . . . ?
C15_46 C16_46 C17_46 C20_46 -177.0(6) . . . . ?
C16_46 C17_46 C18_46 C19_46 -3.6(11) . . . . ?
C20_46 C17_46 C18_46 C19_46 179.4(6) . . . . ?
C17_46 C18_46 C19_46 C14_46 0.5(10) . . . . ?
C15_46 C14_46 C19_46 C18_46 -0.1(9) . . . . ?
C3_46 C14_46 C19_46 C18_46 -176.7(6) . . . . ?
C16_46 C17_46 C20_46 O5_46 176.8(7) . . . . ?
C18_46 C17_46 C20_46 O5_46 -6.1(11) . . . . ?
C16_46 C17_46 C20_46 O3_46 0.9(10) . . . . ?
C18_46 C17_46 C20_46 O3_46 178.0(6) . . . . ?
C4_46 C5_46 C21_46 C22_46 -139.4(7) . . . . ?
C6_46 C5_46 C21_46 C22_46 39.8(9) . . . . ?
C4_46 C5_46 C21_46 C26_46 37.3(9) . . . . ?
C6_46 C5_46 C21_46 C26_46 -143.5(6) . . . . ?
C26_46 C21_46 C22_46 C23_46 -0.2(10) . . . . ?
C5_46 C21_46 C22_46 C23_46 176.5(6) . . . . ?
C21_46 C22_46 C23_46 C24_46 2.5(9) . . . . ?
C22_46 C23_46 C24_46 C25_46 -2.1(10) . . . . ?
C22_46 C23_46 C24_46 C27_46 -178.6(6) . . . . ?
C23_46 C24_46 C25_46 C26_46 -0.4(10) . . . . ?
C27_46 C24_46 C25_46 C26_46 176.0(6) . . . . ?
C22_46 C21_46 C26_46 C25_46 -2.4(10) . . . . ?
C5_46 C21_46 C26_46 C25_46 -179.1(6) . . . . ?
C24_46 C25_46 C26_46 C21_46 2.7(10) . . . . ?
C25_46 C24_46 C27_46 O4_46 -174.7(7) . . . . ?
C23_46 C24_46 C27_46 O4_46 1.7(10) . . . . ?
C25_46 C24_46 C27_46 O6_46 7.8(10) . . . . ?
C23_46 C24_46 C27_46 O6_46 -175.8(6) . . . . ?
C6_47 C1_47 C2_47 C3_47 -2.8(9) . . . . ?
C7_47 C1_47 C2_47 C3_47 179.7(6) . . . . ?
C1_47 C2_47 C3_47 C4_47 1.6(9) . . . . ?
C1_47 C2_47 C3_47 C14_47 -179.7(6) . . . . ?
C2_47 C3_47 C4_47 C5_47 -0.2(9) . . . . ?
C14_47 C3_47 C4_47 C5_47 -178.9(6) . . . . ?
C3_47 C4_47 C5_47 C6_47 0.2(9) . . . . ?
C3_47 C4_47 C5_47 C21_47 -178.7(5) . . . . ?
C4_47 C5_47 C6_47 C1_47 -1.5(9) . . . . ?
C21_47 C5_47 C6_47 C1_47 177.5(6) . . . . ?
C2_47 C1_47 C6_47 C5_47 2.7(9) . . . . ?
C7_47 C1_47 C6_47 C5_47 -179.7(6) . . . . ?
C2_47 C1_47 C7_47 C12_47 -155.9(6) . . . . ?
C6_47 C1_47 C7_47 C12_47 26.6(9) . . . . ?
C2_47 C1_47 C7_47 C8_47 20.0(9) . . . . ?
C6_47 C1_47 C7_47 C8_47 -157.5(6) . . . . ?
C12_47 C7_47 C8_47 C9_47 -2.0(9) . . . . ?
C1_47 C7_47 C8_47 C9_47 -178.0(5) . . . . ?
C7_47 C8_47 C9_47 C10_47 2.0(9) . . . . ?
C8_47 C9_47 C10_47 C11_47 -2.6(9) . . . . ?
C8_47 C9_47 C10_47 C13_47 178.1(6) . . . . ?
C9_47 C10_47 C11_47 C12_47 3.3(10) . . . . ?
C13_47 C10_47 C11_47 C12_47 -177.4(6) . . . . ?
C10_47 C11_47 C12_47 C7_47 -3.4(9) . . . . ?
C8_47 C7_47 C12_47 C11_47 2.6(9) . . . . ?
C1_47 C7_47 C12_47 C11_47 178.6(5) . . . . ?
C11_47 C10_47 C13_47 O2_47 0.9(9) . . . . ?
C9_47 C10_47 C13_47 O2_47 -179.9(6) . . . . ?
C11_47 C10_47 C13_47 O1_47 177.6(6) . . . . ?
C9_47 C10_47 C13_47 O1_47 -3.1(9) . . . . ?
C4_47 C3_47 C14_47 C19_47 140.6(6) . . . . ?
C2_47 C3_47 C14_47 C19_47 -38.0(9) . . . . ?
C4_47 C3_47 C14_47 C15_47 -37.7(9) . . . . ?
C2_47 C3_47 C14_47 C15_47 143.7(6) . . . . ?
C19_47 C14_47 C15_47 C16_47 1.6(10) . . . . ?
C3_47 C14_47 C15_47 C16_47 -180.0(6) . . . . ?
C14_47 C15_47 C16_47 C17_47 -1.0(10) . . . . ?
C15_47 C16_47 C17_47 C18_47 1.2(10) . . . . ?
C15_47 C16_47 C17_47 C20_47 -178.5(6) . . . . ?
C16_47 C17_47 C18_47 C19_47 -1.9(10) . . . . ?
C20_47 C17_47 C18_47 C19_47 177.7(6) . . . . ?
C17_47 C18_47 C19_47 C14_47 2.6(10) . . . . ?
C15_47 C14_47 C19_47 C18_47 -2.3(10) . . . . ?
C3_47 C14_47 C19_47 C18_47 179.3(6) . . . . ?
C18_47 C17_47 C20_47 O3_47 177.3(7) . . . . ?
C16_47 C17_47 C20_47 O3_47 -3.0(10) . . . . ?
C18_47 C17_47 C20_47 O4_47 -4.9(10) . . . . ?
C16_47 C17_47 C20_47 O4_47 174.8(6) . . . . ?
C6_47 C5_47 C21_47 C26_47 -147.4(6) . . . . ?
C4_47 C5_47 C21_47 C26_47 31.5(9) . . . . ?
C6_47 C5_47 C21_47 C22_47 34.0(9) . . . . ?
C4_47 C5_47 C21_47 C22_47 -147.1(6) . . . . ?
C26_47 C21_47 C22_47 C23_47 1.0(10) . . . . ?
C5_47 C21_47 C22_47 C23_47 179.6(6) . . . . ?
C21_47 C22_47 C23_47 C24_47 -2.1(9) . . . . ?
C22_47 C23_47 C24_47 C25_47 3.0(9) . . . . ?
C22_47 C23_47 C24_47 C27_47 -179.9(6) . . . . ?
C23_47 C24_47 C25_47 C26_47 -2.7(9) . . . . ?
C27_47 C24_47 C25_47 C26_47 -179.7(6) . . . . ?
C22_47 C21_47 C26_47 C25_47 -0.6(9) . . . . ?
C5_47 C21_47 C26_47 C25_47 -179.3(6) . . . . ?
C24_47 C25_47 C26_47 C21_47 1.5(9) . . . . ?
C25_47 C24_47 C27_47 O5_47 -175.1(6) . . . . ?
C23_47 C24_47 C27_47 O5_47 7.8(9) . . . . ?
C25_47 C24_47 C27_47 O6_47 2.0(9) . . . . ?
C23_47 C24_47 C27_47 O6_47 -175.1(6) . . . . ?
C6_48 C1_48 C2_48 C3_48 -0.4(9) . . . . ?
C7_48 C1_48 C2_48 C3_48 179.5(6) . . . . ?
C1_48 C2_48 C3_48 C4_48 -0.7(9) . . . . ?
C1_48 C2_48 C3_48 C14_48 179.5(6) . . . . ?
C2_48 C3_48 C4_48 C5_48 -0.4(9) . . . . ?
C14_48 C3_48 C4_48 C5_48 179.4(6) . . . . ?
C3_48 C4_48 C5_48 C6_48 2.5(9) . . . . ?
C3_48 C4_48 C5_48 C21_48 178.7(6) . . . . ?
C4_48 C5_48 C6_48 C1_48 -3.7(9) . . . . ?
C21_48 C5_48 C6_48 C1_48 -179.9(6) . . . . ?
C2_48 C1_48 C6_48 C5_48 2.6(9) . . . . ?
C7_48 C1_48 C6_48 C5_48 -177.2(6) . . . . ?
C2_48 C1_48 C7_48 C8_48 23.6(10) . . . . ?
C6_48 C1_48 C7_48 C8_48 -156.6(6) . . . . ?
C2_48 C1_48 C7_48 C12_48 -153.8(6) . . . . ?
C6_48 C1_48 C7_48 C12_48 26.1(9) . . . . ?
C12_48 C7_48 C8_48 C9_48 3.2(9) . . . . ?
C1_48 C7_48 C8_48 C9_48 -174.3(6) . . . . ?
C7_48 C8_48 C9_48 C10_48 -3.9(10) . . . . ?
C8_48 C9_48 C10_48 C13_48 -179.5(6) . . . . ?
C8_48 C9_48 C10_48 C11_48 3.9(10) . . . . ?
C9_48 C10_48 C11_48 C12_48 -3.8(10) . . . . ?
C13_48 C10_48 C11_48 C12_48 179.7(6) . . . . ?
C10_48 C11_48 C12_48 C7_48 3.5(10) . . . . ?
C8_48 C7_48 C12_48 C11_48 -3.1(9) . . . . ?
C1_48 C7_48 C12_48 C11_48 174.5(6) . . . . ?
C9_48 C10_48 C13_48 O1_48 1.1(11) . . . . ?
C11_48 C10_48 C13_48 O1_48 177.4(7) . . . . ?
C9_48 C10_48 C13_48 O2_48 -176.8(6) . . . . ?
C11_48 C10_48 C13_48 O2_48 -0.4(10) . . . . ?
C2_48 C3_48 C14_48 C19_48 -47.4(9) . . . . ?
C4_48 C3_48 C14_48 C19_48 132.8(7) . . . . ?
C2_48 C3_48 C14_48 C15_48 136.6(6) . . . . ?
C4_48 C3_48 C14_48 C15_48 -43.2(9) . . . . ?
C19_48 C14_48 C15_48 C16_48 2.0(9) . . . . ?
C3_48 C14_48 C15_48 C16_48 178.3(6) . . . . ?
C14_48 C15_48 C16_48 C17_48 -1.5(10) . . . . ?
C15_48 C16_48 C17_48 C18_48 -0.6(10) . . . . ?
C15_48 C16_48 C17_48 C20_48 -178.3(6) . . . . ?
C16_48 C17_48 C18_48 C19_48 2.2(10) . . . . ?
C20_48 C17_48 C18_48 C19_48 179.9(6) . . . . ?
C17_48 C18_48 C19_48 C14_48 -1.8(10) . . . . ?
C15_48 C14_48 C19_48 C18_48 -0.4(9) . . . . ?
C3_48 C14_48 C19_48 C18_48 -176.5(6) . . . . ?
C18_48 C17_48 C20_48 O3_48 177.4(7) . . . . ?
C16_48 C17_48 C20_48 O3_48 -5.0(10) . . . . ?
C18_48 C17_48 C20_48 O4_48 -5.2(10) . . . . ?
C16_48 C17_48 C20_48 O4_48 172.5(6) . . . . ?
C6_48 C5_48 C21_48 C26_48 -149.3(6) . . . . ?
C4_48 C5_48 C21_48 C26_48 34.6(9) . . . . ?
C6_48 C5_48 C21_48 C22_48 28.3(9) . . . . ?
C4_48 C5_48 C21_48 C22_48 -147.8(6) . . . . ?
C26_48 C21_48 C22_48 C23_48 0.7(10) . . . . ?
C5_48 C21_48 C22_48 C23_48 -176.9(6) . . . . ?
C21_48 C22_48 C23_48 C24_48 -1.1(10) . . . . ?
C22_48 C23_48 C24_48 C25_48 2.5(10) . . . . ?
C22_48 C23_48 C24_48 C27_48 -179.5(6) . . . . ?
C23_48 C24_48 C25_48 C26_48 -3.5(9) . . . . ?
C27_48 C24_48 C25_48 C26_48 178.4(6) . . . . ?
C22_48 C21_48 C26_48 C25_48 -1.8(9) . . . . ?
C5_48 C21_48 C26_48 C25_48 175.8(5) . . . . ?
C24_48 C25_48 C26_48 C21_48 3.2(9) . . . . ?
C23_48 C24_48 C27_48 O5_48 2.1(10) . . . . ?
C25_48 C24_48 C27_48 O5_48 -179.8(6) . . . . ?
C23_48 C24_48 C27_48 O6_48 -179.0(6) . . . . ?
C25_48 C24_48 C27_48 O6_48 -0.9(10) . . . . ?
C6_49 C1_49 C2_49 C3_49 -4.2(9) . . . . ?
C7_49 C1_49 C2_49 C3_49 175.7(6) . . . . ?
C1_49 C2_49 C3_49 C4_49 2.2(9) . . . . ?
C1_49 C2_49 C3_49 C14_49 179.8(6) . . . . ?
C2_49 C3_49 C4_49 C5_49 -1.4(10) . . . . ?
C14_49 C3_49 C4_49 C5_49 -178.9(6) . . . . ?
C3_49 C4_49 C5_49 C6_49 2.5(10) . . . . ?
C3_49 C4_49 C5_49 C21_49 178.9(6) . . . . ?
C2_49 C1_49 C6_49 C5_49 5.4(9) . . . . ?
C7_49 C1_49 C6_49 C5_49 -174.5(6) . . . . ?
C4_49 C5_49 C6_49 C1_49 -4.7(10) . . . . ?
C21_49 C5_49 C6_49 C1_49 178.8(6) . . . . ?
C6_49 C1_49 C7_49 C8_49 -155.8(6) . . . . ?
C2_49 C1_49 C7_49 C8_49 24.3(9) . . . . ?
C6_49 C1_49 C7_49 C12_49 24.1(10) . . . . ?
C2_49 C1_49 C7_49 C12_49 -155.8(6) . . . . ?
C12_49 C7_49 C8_49 C9_49 0.0(10) . . . . ?
C1_49 C7_49 C8_49 C9_49 179.9(6) . . . . ?
C7_49 C8_49 C9_49 C10_49 1.3(10) . . . . ?
C8_49 C9_49 C10_49 C11_49 0.0(9) . . . . ?
C8_49 C9_49 C10_49 C13_49 175.2(6) . . . . ?
C9_49 C10_49 C11_49 C12_49 -2.8(9) . . . . ?
C13_49 C10_49 C11_49 C12_49 -178.0(6) . . . . ?
C10_49 C11_49 C12_49 C7_49 4.2(10) . . . . ?
C8_49 C7_49 C12_49 C11_49 -2.7(10) . . . . ?
C1_49 C7_49 C12_49 C11_49 177.4(6) . . . . ?
C11_49 C10_49 C13_49 O2_49 -1.3(9) . . . . ?
C9_49 C10_49 C13_49 O2_49 -176.2(6) . . . . ?
C11_49 C10_49 C13_49 O1_49 179.3(6) . . . . ?
C9_49 C10_49 C13_49 O1_49 4.4(9) . . . . ?
C2_49 C3_49 C14_49 C19_49 -44.6(9) . . . . ?
C4_49 C3_49 C14_49 C19_49 132.9(7) . . . . ?
C2_49 C3_49 C14_49 C15_49 141.0(6) . . . . ?
C4_49 C3_49 C14_49 C15_49 -41.6(9) . . . . ?
C19_49 C14_49 C15_49 C16_49 4.3(10) . . . . ?
C3_49 C14_49 C15_49 C16_49 178.8(6) . . . . ?
C14_49 C15_49 C16_49 C17_49 -4.7(10) . . . . ?
C15_49 C16_49 C17_49 C18_49 2.2(10) . . . . ?
C15_49 C16_49 C17_49 C20_49 -178.1(6) . . . . ?
C16_49 C17_49 C18_49 C19_49 0.7(10) . . . . ?
C20_49 C17_49 C18_49 C19_49 -179.0(6) . . . . ?
C15_49 C14_49 C19_49 C18_49 -1.4(10) . . . . ?
C3_49 C14_49 C19_49 C18_49 -175.8(6) . . . . ?
C17_49 C18_49 C19_49 C14_49 -1.1(10) . . . . ?
C18_49 C17_49 C20_49 O4_49 -11.8(10) . . . . ?
C16_49 C17_49 C20_49 O4_49 168.5(6) . . . . ?
C18_49 C17_49 C20_49 O3_49 171.4(6) . . . . ?
C16_49 C17_49 C20_49 O3_49 -8.4(10) . . . . ?
C4_49 C5_49 C21_49 C22_49 -141.1(8) . . . . ?
C6_49 C5_49 C21_49 C22_49 35.3(10) . . . . ?
C4_49 C5_49 C21_49 C26_49 41.3(10) . . . . ?
C6_49 C5_49 C21_49 C26_49 -142.4(6) . . . . ?
C26_49 C21_49 C22_49 C23_49 7.3(11) . . . . ?
C5_49 C21_49 C22_49 C23_49 -170.4(7) . . . . ?
C21_49 C22_49 C23_49 C24_49 -9.7(13) . . . . ?
C22_49 C23_49 C24_49 C25_49 9.0(13) . . . . ?
C22_49 C23_49 C24_49 C27_49 -176.7(8) . . . . ?
C23_49 C24_49 C25_49 C26_49 -6.4(12) . . . . ?
C27_49 C24_49 C25_49 C26_49 179.6(7) . . . . ?
C24_49 C25_49 C26_49 C21_49 4.4(11) . . . . ?
C22_49 C21_49 C26_49 C25_49 -4.7(10) . . . . ?
C5_49 C21_49 C26_49 C25_49 173.0(6) . . . . ?
C25_49 C24_49 C27_49 O5_49 177.6(8) . . . . ?
C23_49 C24_49 C27_49 O5_49 3.7(12) . . . . ?
C25_49 C24_49 C27_49 O6_49 -0.9(12) . . . . ?
C23_49 C24_49 C27_49 O6_49 -174.9(8) . . . . ?
C6_50 C1_50 C2_50 C3_50 -2.7(8) . . . . ?
C7_50 C1_50 C2_50 C3_50 -178.5(5) . . . . ?
C1_50 C2_50 C3_50 C4_50 3.8(8) . . . . ?
C1_50 C2_50 C3_50 C14_50 179.7(5) . . . . ?
C2_50 C3_50 C4_50 C5_50 -5.1(9) . . . . ?
C14_50 C3_50 C4_50 C5_50 178.9(5) . . . . ?
C3_50 C4_50 C5_50 C6_50 5.5(9) . . . . ?
C3_50 C4_50 C5_50 C21_50 -171.8(5) . . . . ?
C4_50 C5_50 C6_50 C1_50 -4.6(9) . . . . ?
C21_50 C5_50 C6_50 C1_50 172.7(5) . . . . ?
C2_50 C1_50 C6_50 C5_50 3.1(9) . . . . ?
C7_50 C1_50 C6_50 C5_50 178.9(5) . . . . ?
C2_50 C1_50 C7_50 C8_50 23.5(9) . . . . ?
C6_50 C1_50 C7_50 C8_50 -152.2(6) . . . . ?
C2_50 C1_50 C7_50 C12_50 -152.6(6) . . . . ?
C6_50 C1_50 C7_50 C12_50 31.7(8) . . . . ?
C12_50 C7_50 C8_50 C9_50 -3.1(10) . . . . ?
C1_50 C7_50 C8_50 C9_50 -179.1(6) . . . . ?
C7_50 C8_50 C9_50 C10_50 1.6(11) . . . . ?
C8_50 C9_50 C10_50 C11_50 -1.6(10) . . . . ?
C8_50 C9_50 C10_50 C13_50 -178.3(6) . . . . ?
C9_50 C10_50 C11_50 C12_50 3.2(9) . . . . ?
C13_50 C10_50 C11_50 C12_50 179.7(6) . . . . ?
C8_50 C7_50 C12_50 C11_50 4.4(9) . . . . ?
C1_50 C7_50 C12_50 C11_50 -179.4(5) . . . . ?
C10_50 C11_50 C12_50 C7_50 -4.6(9) . . . . ?
C11_50 C10_50 C13_50 O1_50 -171.8(6) . . . . ?
C9_50 C10_50 C13_50 O1_50 4.7(10) . . . . ?
C11_50 C10_50 C13_50 O2_50 10.1(9) . . . . ?
C9_50 C10_50 C13_50 O2_50 -173.4(6) . . . . ?
C4_50 C3_50 C14_50 C19_50 -148.1(6) . . . . ?
C2_50 C3_50 C14_50 C19_50 36.0(8) . . . . ?
C4_50 C3_50 C14_50 C15_50 30.3(8) . . . . ?
C2_50 C3_50 C14_50 C15_50 -145.6(6) . . . . ?
C19_50 C14_50 C15_50 C16_50 2.8(9) . . . . ?
C3_50 C14_50 C15_50 C16_50 -175.6(5) . . . . ?
C14_50 C15_50 C16_50 C17_50 -3.9(9) . . . . ?
C15_50 C16_50 C17_50 C18_50 2.9(9) . . . . ?
C15_50 C16_50 C17_50 C20_50 177.4(6) . . . . ?
C16_50 C17_50 C18_50 C19_50 -0.9(9) . . . . ?
C20_50 C17_50 C18_50 C19_50 -175.5(5) . . . . ?
C17_50 C18_50 C19_50 C14_50 -0.2(9) . . . . ?
C15_50 C14_50 C19_50 C18_50 -0.8(9) . . . . ?
C3_50 C14_50 C19_50 C18_50 177.6(5) . . . . ?
C16_50 C17_50 C20_50 O3_50 7.7(9) . . . . ?
C18_50 C17_50 C20_50 O3_50 -177.6(6) . . . . ?
C16_50 C17_50 C20_50 O4_50 -173.9(6) . . . . ?
C18_50 C17_50 C20_50 O4_50 0.8(9) . . . . ?
C6_50 C5_50 C21_50 C22_50 -38.6(8) . . . . ?
C4_50 C5_50 C21_50 C22_50 138.7(6) . . . . ?
C6_50 C5_50 C21_50 C26_50 139.5(6) . . . . ?
C4_50 C5_50 C21_50 C26_50 -43.2(8) . . . . ?
C26_50 C21_50 C22_50 C23_50 1.8(9) . . . . ?
C5_50 C21_50 C22_50 C23_50 179.9(5) . . . . ?
C21_50 C22_50 C23_50 C24_50 0.4(8) . . . . ?
C22_50 C23_50 C24_50 C25_50 -1.3(9) . . . . ?
C22_50 C23_50 C24_50 C27_50 177.2(5) . . . . ?
C23_50 C24_50 C25_50 C26_50 -0.2(10) . . . . ?
C27_50 C24_50 C25_50 C26_50 -178.5(6) . . . . ?
C22_50 C21_50 C26_50 C25_50 -3.3(10) . . . . ?
C5_50 C21_50 C26_50 C25_50 178.7(6) . . . . ?
C24_50 C25_50 C26_50 C21_50 2.5(10) . . . . ?
C23_50 C24_50 C27_50 O5_50 -3.7(9) . . . . ?
C25_50 C24_50 C27_50 O5_50 174.7(6) . . . . ?
C23_50 C24_50 C27_50 O6_50 174.2(6) . . . . ?
C25_50 C24_50 C27_50 O6_50 -7.4(9) . . . . ?
C6_51 C1_51 C2_51 C3_51 -1.4(9) . . . . ?
C7_51 C1_51 C2_51 C3_51 179.7(5) . . . . ?
C1_51 C2_51 C3_51 C4_51 -0.4(8) . . . . ?
C1_51 C2_51 C3_51 C14_51 -178.1(5) . . . . ?
C2_51 C3_51 C4_51 C5_51 0.7(8) . . . . ?
C14_51 C3_51 C4_51 C5_51 178.4(5) . . . . ?
C3_51 C4_51 C5_51 C6_51 0.9(9) . . . . ?
C3_51 C4_51 C5_51 C21_51 -179.6(5) . . . . ?
C2_51 C1_51 C6_51 C5_51 2.9(9) . . . . ?
C7_51 C1_51 C6_51 C5_51 -178.1(5) . . . . ?
C4_51 C5_51 C6_51 C1_51 -2.7(9) . . . . ?
C21_51 C5_51 C6_51 C1_51 177.7(5) . . . . ?
C6_51 C1_51 C7_51 C12_51 28.3(9) . . . . ?
C2_51 C1_51 C7_51 C12_51 -152.8(6) . . . . ?
C6_51 C1_51 C7_51 C8_51 -152.2(6) . . . . ?
C2_51 C1_51 C7_51 C8_51 26.7(8) . . . . ?
C12_51 C7_51 C8_51 C9_51 -0.4(9) . . . . ?
C1_51 C7_51 C8_51 C9_51 -180.0(6) . . . . ?
C7_51 C8_51 C9_51 C10_51 0.4(10) . . . . ?
C8_51 C9_51 C10_51 C11_51 0.3(9) . . . . ?
C8_51 C9_51 C10_51 C13_51 -178.3(6) . . . . ?
C9_51 C10_51 C11_51 C12_51 -1.0(9) . . . . ?
C13_51 C10_51 C11_51 C12_51 177.7(5) . . . . ?
C10_51 C11_51 C12_51 C7_51 1.0(9) . . . . ?
C8_51 C7_51 C12_51 C11_51 -0.3(9) . . . . ?
C1_51 C7_51 C12_51 C11_51 179.2(5) . . . . ?
C9_51 C10_51 C13_51 O2_51 -180.0(6) . . . . ?
C11_51 C10_51 C13_51 O2_51 1.4(8) . . . . ?
C9_51 C10_51 C13_51 O1_51 1.2(9) . . . . ?
C11_51 C10_51 C13_51 O1_51 -177.5(5) . . . . ?
C2_51 C3_51 C14_51 C15_51 -147.0(6) . . . . ?
C4_51 C3_51 C14_51 C15_51 35.4(8) . . . . ?
C2_51 C3_51 C14_51 C19_51 30.7(9) . . . . ?
C4_51 C3_51 C14_51 C19_51 -146.9(6) . . . . ?
C19_51 C14_51 C15_51 C16_51 2.4(9) . . . . ?
C3_51 C14_51 C15_51 C16_51 -179.8(6) . . . . ?
C14_51 C15_51 C16_51 C17_51 -0.8(9) . . . . ?
C15_51 C16_51 C17_51 C18_51 -2.3(9) . . . . ?
C15_51 C16_51 C17_51 C20_51 179.5(6) . . . . ?
C16_51 C17_51 C18_51 C19_51 3.6(10) . . . . ?
C20_51 C17_51 C18_51 C19_51 -178.2(6) . . . . ?
C17_51 C18_51 C19_51 C14_51 -1.9(10) . . . . ?
C15_51 C14_51 C19_51 C18_51 -1.1(9) . . . . ?
C3_51 C14_51 C19_51 C18_51 -178.8(6) . . . . ?
C18_51 C17_51 C20_51 O4_51 1.7(10) . . . . ?
C16_51 C17_51 C20_51 O4_51 179.9(6) . . . . ?
C18_51 C17_51 C20_51 O3_51 -174.9(6) . . . . ?
C16_51 C17_51 C20_51 O3_51 3.3(9) . . . . ?
C4_51 C5_51 C21_51 C26_51 -34.5(9) . . . . ?
C6_51 C5_51 C21_51 C26_51 145.1(6) . . . . ?
C4_51 C5_51 C21_51 C22_51 140.8(6) . . . . ?
C6_51 C5_51 C21_51 C22_51 -39.7(8) . . . . ?
C26_51 C21_51 C22_51 C23_51 -2.9(8) . . . . ?
C5_51 C21_51 C22_51 C23_51 -178.2(5) . . . . ?
C21_51 C22_51 C23_51 C24_51 0.8(9) . . . . ?
C22_51 C23_51 C24_51 C25_51 -0.2(10) . . . . ?
C22_51 C23_51 C24_51 C27_51 176.1(6) . . . . ?
C23_51 C24_51 C25_51 C26_51 1.4(10) . . . . ?
C27_51 C24_51 C25_51 C26_51 -174.7(6) . . . . ?
C22_51 C21_51 C26_51 C25_51 4.3(9) . . . . ?
C5_51 C21_51 C26_51 C25_51 179.3(5) . . . . ?
C24_51 C25_51 C26_51 C21_51 -3.6(9) . . . . ?
C25_51 C24_51 C27_51 O5_51 -178.0(6) . . . . ?
C23_51 C24_51 C27_51 O5_51 5.8(9) . . . . ?
C25_51 C24_51 C27_51 O6_51 -5.9(9) . . . . ?
C23_51 C24_51 C27_51 O6_51 177.8(6) . . . . ?
C6_52 C1_52 C2_52 C3_52 3.3(9) . . . . ?
C7_52 C1_52 C2_52 C3_52 -179.6(5) . . . . ?
C1_52 C2_52 C3_52 C4_52 -2.7(9) . . . . ?
C1_52 C2_52 C3_52 C14_52 179.9(6) . . . . ?
C2_52 C3_52 C4_52 C5_52 0.7(9) . . . . ?
C14_52 C3_52 C4_52 C5_52 178.2(6) . . . . ?
C3_52 C4_52 C5_52 C6_52 0.8(9) . . . . ?
C3_52 C4_52 C5_52 C21_52 179.1(6) . . . . ?
C2_52 C1_52 C6_52 C5_52 -1.7(9) . . . . ?
C7_52 C1_52 C6_52 C5_52 -178.9(5) . . . . ?
C4_52 C5_52 C6_52 C1_52 -0.4(9) . . . . ?
C21_52 C5_52 C6_52 C1_52 -178.7(5) . . . . ?
C2_52 C1_52 C7_52 C8_52 29.8(8) . . . . ?
C6_52 C1_52 C7_52 C8_52 -153.0(6) . . . . ?
C2_52 C1_52 C7_52 C12_52 -150.9(6) . . . . ?
C6_52 C1_52 C7_52 C12_52 26.3(8) . . . . ?
C12_52 C7_52 C8_52 C9_52 -0.7(9) . . . . ?
C1_52 C7_52 C8_52 C9_52 178.6(5) . . . . ?
C7_52 C8_52 C9_52 C10_52 1.4(9) . . . . ?
C8_52 C9_52 C10_52 C11_52 -0.8(9) . . . . ?
C8_52 C9_52 C10_52 C13_52 -177.5(6) . . . . ?
C9_52 C10_52 C11_52 C12_52 -0.4(10) . . . . ?
C13_52 C10_52 C11_52 C12_52 176.2(6) . . . . ?
C10_52 C11_52 C12_52 C7_52 1.1(10) . . . . ?
C8_52 C7_52 C12_52 C11_52 -0.5(9) . . . . ?
C1_52 C7_52 C12_52 C11_52 -179.8(5) . . . . ?
C11_52 C10_52 C13_52 O2_52 3.7(10) . . . . ?
C9_52 C10_52 C13_52 O2_52 -179.7(6) . . . . ?
C11_52 C10_52 C13_52 O1_52 -174.3(6) . . . . ?
C9_52 C10_52 C13_52 O1_52 2.4(9) . . . . ?
C2_52 C3_52 C14_52 C15_52 -150.5(6) . . . . ?
C4_52 C3_52 C14_52 C15_52 32.1(9) . . . . ?
C2_52 C3_52 C14_52 C19_52 25.9(9) . . . . ?
C4_52 C3_52 C14_52 C19_52 -151.5(6) . . . . ?
C19_52 C14_52 C15_52 C16_52 1.1(9) . . . . ?
C3_52 C14_52 C15_52 C16_52 177.5(5) . . . . ?
C14_52 C15_52 C16_52 C17_52 1.4(10) . . . . ?
C15_52 C16_52 C17_52 C18_52 -3.9(10) . . . . ?
C15_52 C16_52 C17_52 C20_52 -179.8(6) . . . . ?
C16_52 C17_52 C18_52 C19_52 4.2(11) . . . . ?
C20_52 C17_52 C18_52 C19_52 -179.9(6) . . . . ?
C17_52 C18_52 C19_52 C14_52 -1.8(10) . . . . ?
C15_52 C14_52 C19_52 C18_52 -0.9(10) . . . . ?
C3_52 C14_52 C19_52 C18_52 -177.4(6) . . . . ?
C16_52 C17_52 C20_52 O3_52 3.5(10) . . . . ?
C18_52 C17_52 C20_52 O3_52 -172.4(6) . . . . ?
C16_52 C17_52 C20_52 O4_52 -177.7(7) . . . . ?
C18_52 C17_52 C20_52 O4_52 6.5(10) . . . . ?
C4_52 C5_52 C21_52 C26_52 -36.8(9) . . . . ?
C6_52 C5_52 C21_52 C26_52 141.5(6) . . . . ?
C4_52 C5_52 C21_52 C22_52 144.4(6) . . . . ?
C6_52 C5_52 C21_52 C22_52 -37.3(9) . . . . ?
C26_52 C21_52 C22_52 C23_52 2.4(10) . . . . ?
C5_52 C21_52 C22_52 C23_52 -178.8(6) . . . . ?
C21_52 C22_52 C23_52 C24_52 -0.8(10) . . . . ?
C22_52 C23_52 C24_52 C25_52 -1.5(10) . . . . ?
C22_52 C23_52 C24_52 C27_52 180.0(6) . . . . ?
C23_52 C24_52 C25_52 C26_52 2.1(9) . . . . ?
C27_52 C24_52 C25_52 C26_52 -179.3(6) . . . . ?
C22_52 C21_52 C26_52 C25_52 -1.7(10) . . . . ?
C5_52 C21_52 C26_52 C25_52 179.5(6) . . . . ?
C24_52 C25_52 C26_52 C21_52 -0.5(10) . . . . ?
C23_52 C24_52 C27_52 O5_52 -7.2(10) . . . . ?
C25_52 C24_52 C27_52 O5_52 174.3(7) . . . . ?
C23_52 C24_52 C27_52 O6_52 173.5(6) . . . . ?
C25_52 C24_52 C27_52 O6_52 -5.0(9) . . . . ?
C6_53 C1_53 C2_53 C3_53 -0.4(9) . . . . ?
C7_53 C1_53 C2_53 C3_53 177.3(6) . . . . ?
C1_53 C2_53 C3_53 C4_53 1.0(9) . . . . ?
C1_53 C2_53 C3_53 C14_53 -177.9(6) . . . . ?
C2_53 C3_53 C4_53 C5_53 1.6(10) . . . . ?
C14_53 C3_53 C4_53 C5_53 -179.5(6) . . . . ?
C3_53 C4_53 C5_53 C6_53 -4.8(10) . . . . ?
C3_53 C4_53 C5_53 C21_53 178.1(6) . . . . ?
C4_53 C5_53 C6_53 C1_53 5.6(10) . . . . ?
C21_53 C5_53 C6_53 C1_53 -177.4(5) . . . . ?
C2_53 C1_53 C6_53 C5_53 -3.0(9) . . . . ?
C7_53 C1_53 C6_53 C5_53 179.4(6) . . . . ?
C6_53 C1_53 C7_53 C8_53 155.6(6) . . . . ?
C2_53 C1_53 C7_53 C8_53 -22.0(8) . . . . ?
C6_53 C1_53 C7_53 C12_53 -23.1(9) . . . . ?
C2_53 C1_53 C7_53 C12_53 159.3(6) . . . . ?
C12_53 C7_53 C8_53 C9_53 1.6(9) . . . . ?
C1_53 C7_53 C8_53 C9_53 -177.1(6) . . . . ?
C7_53 C8_53 C9_53 C10_53 1.1(10) . . . . ?
C8_53 C9_53 C10_53 C11_53 -1.3(9) . . . . ?
C8_53 C9_53 C10_53 C13_53 178.3(6) . . . . ?
C9_53 C10_53 C11_53 C12_53 -1.4(9) . . . . ?
C13_53 C10_53 C11_53 C12_53 179.1(6) . . . . ?
C10_53 C11_53 C12_53 C7_53 4.3(10) . . . . ?
C8_53 C7_53 C12_53 C11_53 -4.4(9) . . . . ?
C1_53 C7_53 C12_53 C11_53 174.3(6) . . . . ?
C11_53 C10_53 C13_53 O1_53 179.1(6) . . . . ?
C9_53 C10_53 C13_53 O1_53 -0.5(9) . . . . ?
C11_53 C10_53 C13_53 O2_53 -0.6(8) . . . . ?
C9_53 C10_53 C13_53 O2_53 179.8(6) . . . . ?
C2_53 C3_53 C14_53 C15_53 142.6(6) . . . . ?
C4_53 C3_53 C14_53 C15_53 -36.3(9) . . . . ?
C2_53 C3_53 C14_53 C19_53 -30.9(9) . . . . ?
C4_53 C3_53 C14_53 C19_53 150.2(7) . . . . ?
C19_53 C14_53 C15_53 C16_53 -0.6(10) . . . . ?
C3_53 C14_53 C15_53 C16_53 -173.8(6) . . . . ?
C14_53 C15_53 C16_53 C17_53 -1.4(10) . . . . ?
C15_53 C16_53 C17_53 C18_53 3.7(10) . . . . ?
C15_53 C16_53 C17_53 C20_53 -178.7(6) . . . . ?
C16_53 C17_53 C18_53 C19_53 -3.9(11) . . . . ?
C20_53 C17_53 C18_53 C19_53 178.4(6) . . . . ?
C17_53 C18_53 C19_53 C14_53 1.8(11) . . . . ?
C15_53 C14_53 C19_53 C18_53 0.4(11) . . . . ?
C3_53 C14_53 C19_53 C18_53 173.7(6) . . . . ?
C16_53 C17_53 C20_53 O3_53 -1.1(10) . . . . ?
C18_53 C17_53 C20_53 O3_53 176.6(6) . . . . ?
C16_53 C17_53 C20_53 O4_53 -179.8(7) . . . . ?
C18_53 C17_53 C20_53 O4_53 -2.1(10) . . . . ?
C6_53 C5_53 C21_53 C26_53 -143.5(6) . . . . ?
C4_53 C5_53 C21_53 C26_53 33.5(9) . . . . ?
C6_53 C5_53 C21_53 C22_53 36.8(9) . . . . ?
C4_53 C5_53 C21_53 C22_53 -146.1(6) . . . . ?
C26_53 C21_53 C22_53 C23_53 -0.6(10) . . . . ?
C5_53 C21_53 C22_53 C23_53 179.1(6) . . . . ?
C21_53 C22_53 C23_53 C24_53 0.9(10) . . . . ?
C22_53 C23_53 C24_53 C25_53 0.8(10) . . . . ?
C22_53 C23_53 C24_53 C27_53 -180.0(7) . . . . ?
C23_53 C24_53 C25_53 C26_53 -3.0(10) . . . . ?
C27_53 C24_53 C25_53 C26_53 177.8(6) . . . . ?
C22_53 C21_53 C26_53 C25_53 -1.5(9) . . . . ?
C5_53 C21_53 C26_53 C25_53 178.9(6) . . . . ?
C24_53 C25_53 C26_53 C21_53 3.3(10) . . . . ?
C25_53 C24_53 C27_53 O6_53 7.4(11) . . . . ?
C23_53 C24_53 C27_53 O6_53 -171.8(7) . . . . ?
C25_53 C24_53 C27_53 O5_53 -168.7(7) . . . . ?
C23_53 C24_53 C27_53 O5_53 12.1(11) . . . . ?
C6_54 C1_54 C2_54 C3_54 -3.0(9) . . . . ?
C7_54 C1_54 C2_54 C3_54 176.4(6) . . . . ?
C1_54 C2_54 C3_54 C4_54 2.2(9) . . . . ?
C1_54 C2_54 C3_54 C14_54 -176.1(6) . . . . ?
C2_54 C3_54 C4_54 C5_54 0.3(9) . . . . ?
C14_54 C3_54 C4_54 C5_54 178.6(5) . . . . ?
C3_54 C4_54 C5_54 C6_54 -1.9(9) . . . . ?
C3_54 C4_54 C5_54 C21_54 177.4(6) . . . . ?
C2_54 C1_54 C6_54 C5_54 1.3(9) . . . . ?
C7_54 C1_54 C6_54 C5_54 -178.1(6) . . . . ?
C4_54 C5_54 C6_54 C1_54 1.1(9) . . . . ?
C21_54 C5_54 C6_54 C1_54 -178.2(6) . . . . ?
C6_54 C1_54 C7_54 C12_54 -24.6(9) . . . . ?
C2_54 C1_54 C7_54 C12_54 156.0(6) . . . . ?
C6_54 C1_54 C7_54 C8_54 157.2(6) . . . . ?
C2_54 C1_54 C7_54 C8_54 -22.2(9) . . . . ?
C12_54 C7_54 C8_54 C9_54 0.5(9) . . . . ?
C1_54 C7_54 C8_54 C9_54 178.9(6) . . . . ?
C7_54 C8_54 C9_54 C10_54 -0.3(9) . . . . ?
C8_54 C9_54 C10_54 C11_54 -1.2(9) . . . . ?
C8_54 C9_54 C10_54 C13_54 179.3(5) . . . . ?
C9_54 C10_54 C11_54 C12_54 2.4(9) . . . . ?
C13_54 C10_54 C11_54 C12_54 -178.1(5) . . . . ?
C10_54 C11_54 C12_54 C7_54 -2.2(9) . . . . ?
C8_54 C7_54 C12_54 C11_54 0.8(9) . . . . ?
C1_54 C7_54 C12_54 C11_54 -177.5(6) . . . . ?
C9_54 C10_54 C13_54 O1_54 -3.9(9) . . . . ?
C11_54 C10_54 C13_54 O1_54 176.6(6) . . . . ?
C9_54 C10_54 C13_54 O2_54 -179.7(6) . . . . ?
C11_54 C10_54 C13_54 O2_54 0.8(9) . . . . ?
C4_54 C3_54 C14_54 C15_54 -34.9(9) . . . . ?
C2_54 C3_54 C14_54 C15_54 143.3(6) . . . . ?
C4_54 C3_54 C14_54 C19_54 146.0(6) . . . . ?
C2_54 C3_54 C14_54 C19_54 -35.8(9) . . . . ?
C19_54 C14_54 C15_54 C16_54 -0.9(9) . . . . ?
C3_54 C14_54 C15_54 C16_54 180.0(6) . . . . ?
C14_54 C15_54 C16_54 C17_54 -0.2(9) . . . . ?
C15_54 C16_54 C17_54 C18_54 1.3(9) . . . . ?
C15_54 C16_54 C17_54 C20_54 -179.7(6) . . . . ?
C16_54 C17_54 C18_54 C19_54 -1.2(9) . . . . ?
C20_54 C17_54 C18_54 C19_54 179.7(6) . . . . ?
C17_54 C18_54 C19_54 C14_54 0.2(9) . . . . ?
C15_54 C14_54 C19_54 C18_54 0.9(9) . . . . ?
C3_54 C14_54 C19_54 C18_54 -179.9(5) . . . . ?
C16_54 C17_54 C20_54 O4_54 176.7(6) . . . . ?
C18_54 C17_54 C20_54 O4_54 -4.3(9) . . . . ?
C16_54 C17_54 C20_54 O3_54 -4.6(9) . . . . ?
C18_54 C17_54 C20_54 O3_54 174.4(6) . . . . ?
C6_54 C5_54 C21_54 C22_54 35.9(9) . . . . ?
C4_54 C5_54 C21_54 C22_54 -143.4(6) . . . . ?
C6_54 C5_54 C21_54 C26_54 -142.2(6) . . . . ?
C4_54 C5_54 C21_54 C26_54 38.5(8) . . . . ?
C26_54 C21_54 C22_54 C23_54 -2.7(9) . . . . ?
C5_54 C21_54 C22_54 C23_54 179.1(5) . . . . ?
C21_54 C22_54 C23_54 C24_54 0.7(9) . . . . ?
C22_54 C23_54 C24_54 C25_54 2.0(9) . . . . ?
C22_54 C23_54 C24_54 C27_54 179.8(6) . . . . ?
C23_54 C24_54 C25_54 C26_54 -2.6(9) . . . . ?
C27_54 C24_54 C25_54 C26_54 179.6(6) . . . . ?
C24_54 C25_54 C26_54 C21_54 0.5(9) . . . . ?
C22_54 C21_54 C26_54 C25_54 2.2(9) . . . . ?
C5_54 C21_54 C26_54 C25_54 -179.7(5) . . . . ?
C25_54 C24_54 C27_54 O5_54 -178.1(6) . . . . ?
C23_54 C24_54 C27_54 O5_54 4.1(10) . . . . ?
C25_54 C24_54 C27_54 O6_54 0.9(10) . . . . ?
C23_54 C24_54 C27_54 O6_54 -176.9(6) . . . . ?
C6_55 C1_55 C2_55 C3_55 -0.7(9) . . . . ?
C7_55 C1_55 C2_55 C3_55 177.8(6) . . . . ?
C1_55 C2_55 C3_55 C4_55 1.8(9) . . . . ?
C1_55 C2_55 C3_55 C14_55 178.9(5) . . . . ?
C2_55 C3_55 C4_55 C5_55 -3.7(9) . . . . ?
C14_55 C3_55 C4_55 C5_55 179.2(5) . . . . ?
C3_55 C4_55 C5_55 C6_55 4.2(9) . . . . ?
C3_55 C4_55 C5_55 C21_55 177.3(6) . . . . ?
C2_55 C1_55 C6_55 C5_55 1.3(9) . . . . ?
C7_55 C1_55 C6_55 C5_55 -177.2(6) . . . . ?
C4_55 C5_55 C6_55 C1_55 -3.1(9) . . . . ?
C21_55 C5_55 C6_55 C1_55 -176.3(6) . . . . ?
C6_55 C1_55 C7_55 C12_55 -23.8(9) . . . . ?
C2_55 C1_55 C7_55 C12_55 157.8(6) . . . . ?
C6_55 C1_55 C7_55 C8_55 155.4(6) . . . . ?
C2_55 C1_55 C7_55 C8_55 -23.1(9) . . . . ?
C12_55 C7_55 C8_55 C9_55 -1.6(9) . . . . ?
C1_55 C7_55 C8_55 C9_55 179.2(6) . . . . ?
C7_55 C8_55 C9_55 C10_55 2.0(10) . . . . ?
C8_55 C9_55 C10_55 C11_55 0.5(10) . . . . ?
C8_55 C9_55 C10_55 C13_55 172.9(6) . . . . ?
C13_55 C10_55 C11_55 C12_55 -175.8(6) . . . . ?
C9_55 C10_55 C11_55 C12_55 -3.5(10) . . . . ?
C10_55 C11_55 C12_55 C7_55 4.0(10) . . . . ?
C8_55 C7_55 C12_55 C11_55 -1.4(9) . . . . ?
C1_55 C7_55 C12_55 C11_55 177.8(6) . . . . ?
C11_55 C10_55 C13_55 O2_55 -6.0(10) . . . . ?
C9_55 C10_55 C13_55 O2_55 -178.0(6) . . . . ?
C11_55 C10_55 C13_55 O1_55 177.0(6) . . . . ?
C9_55 C10_55 C13_55 O1_55 5.0(9) . . . . ?
C2_55 C3_55 C14_55 C15_55 147.8(6) . . . . ?
C4_55 C3_55 C14_55 C15_55 -35.1(8) . . . . ?
C2_55 C3_55 C14_55 C19_55 -30.8(9) . . . . ?
C4_55 C3_55 C14_55 C19_55 146.3(6) . . . . ?
C19_55 C14_55 C15_55 C16_55 1.3(9) . . . . ?
C3_55 C14_55 C15_55 C16_55 -177.3(5) . . . . ?
C14_55 C15_55 C16_55 C17_55 -2.7(9) . . . . ?
C15_55 C16_55 C17_55 C18_55 1.5(9) . . . . ?
C15_55 C16_55 C17_55 C20_55 -176.8(6) . . . . ?
C16_55 C17_55 C18_55 C19_55 1.3(9) . . . . ?
C20_55 C17_55 C18_55 C19_55 179.6(6) . . . . ?
C17_55 C18_55 C19_55 C14_55 -2.8(9) . . . . ?
C15_55 C14_55 C19_55 C18_55 1.5(9) . . . . ?
C3_55 C14_55 C19_55 C18_55 -179.9(5) . . . . ?
C18_55 C17_55 C20_55 O4_55 -2.8(10) . . . . ?
C16_55 C17_55 C20_55 O4_55 175.6(6) . . . . ?
C18_55 C17_55 C20_55 O3_55 176.0(6) . . . . ?
C16_55 C17_55 C20_55 O3_55 -5.6(9) . . . . ?
C4_55 C5_55 C21_55 C26_55 46.0(9) . . . . ?
C6_55 C5_55 C21_55 C26_55 -141.1(6) . . . . ?
C4_55 C5_55 C21_55 C22_55 -138.7(6) . . . . ?
C6_55 C5_55 C21_55 C22_55 34.2(9) . . . . ?
C26_55 C21_55 C22_55 C23_55 -5.0(9) . . . . ?
C5_55 C21_55 C22_55 C23_55 179.7(6) . . . . ?
C21_55 C22_55 C23_55 C24_55 2.5(9) . . . . ?
C22_55 C23_55 C24_55 C25_55 -0.9(9) . . . . ?
C22_55 C23_55 C24_55 C27_55 -177.8(6) . . . . ?
C23_55 C24_55 C25_55 C26_55 1.8(9) . . . . ?
C27_55 C24_55 C25_55 C26_55 178.5(6) . . . . ?
C22_55 C21_55 C26_55 C25_55 6.0(9) . . . . ?
C5_55 C21_55 C26_55 C25_55 -178.6(5) . . . . ?
C24_55 C25_55 C26_55 C21_55 -4.4(9) . . . . ?
C25_55 C24_55 C27_55 O5_55 -176.6(6) . . . . ?
C23_55 C24_55 C27_55 O5_55 0.1(10) . . . . ?
C25_55 C24_55 C27_55 O6_55 4.5(9) . . . . ?
C23_55 C24_55 C27_55 O6_55 -178.8(5) . . . . ?
C6_56 C1_56 C2_56 C3_56 -2.6(9) . . . . ?
C7_56 C1_56 C2_56 C3_56 178.3(6) . . . . ?
C1_56 C2_56 C3_56 C4_56 0.4(9) . . . . ?
C1_56 C2_56 C3_56 C14_56 -179.1(6) . . . . ?
C2_56 C3_56 C4_56 C5_56 -0.7(9) . . . . ?
C14_56 C3_56 C4_56 C5_56 178.7(6) . . . . ?
C3_56 C4_56 C5_56 C6_56 3.4(9) . . . . ?
C3_56 C4_56 C5_56 C21_56 177.7(6) . . . . ?
C4_56 C5_56 C6_56 C1_56 -5.8(9) . . . . ?
C21_56 C5_56 C6_56 C1_56 -180.0(5) . . . . ?
C2_56 C1_56 C6_56 C5_56 5.4(9) . . . . ?
C7_56 C1_56 C6_56 C5_56 -175.4(5) . . . . ?
C2_56 C1_56 C7_56 C8_56 -24.5(8) . . . . ?
C6_56 C1_56 C7_56 C8_56 156.4(5) . . . . ?
C2_56 C1_56 C7_56 C12_56 155.5(6) . . . . ?
C6_56 C1_56 C7_56 C12_56 -23.6(9) . . . . ?
C12_56 C7_56 C8_56 C9_56 -1.7(8) . . . . ?
C1_56 C7_56 C8_56 C9_56 178.4(5) . . . . ?
C7_56 C8_56 C9_56 C10_56 1.3(9) . . . . ?
C8_56 C9_56 C10_56 C11_56 -0.7(9) . . . . ?
C8_56 C9_56 C10_56 C13_56 176.6(5) . . . . ?
C9_56 C10_56 C11_56 C12_56 0.4(9) . . . . ?
C13_56 C10_56 C11_56 C12_56 -176.6(5) . . . . ?
C10_56 C11_56 C12_56 C7_56 -0.8(9) . . . . ?
C8_56 C7_56 C12_56 C11_56 1.5(9) . . . . ?
C1_56 C7_56 C12_56 C11_56 -178.6(5) . . . . ?
C11_56 C10_56 C13_56 O1_56 175.6(6) . . . . ?
C9_56 C10_56 C13_56 O1_56 -1.5(8) . . . . ?
C11_56 C10_56 C13_56 O2_56 -5.9(9) . . . . ?
C9_56 C10_56 C13_56 O2_56 177.0(5) . . . . ?
C4_56 C3_56 C14_56 C15_56 -31.2(9) . . . . ?
C2_56 C3_56 C14_56 C15_56 148.2(6) . . . . ?
C4_56 C3_56 C14_56 C19_56 146.8(6) . . . . ?
C2_56 C3_56 C14_56 C19_56 -33.7(9) . . . . ?
C19_56 C14_56 C15_56 C16_56 1.2(10) . . . . ?
C3_56 C14_56 C15_56 C16_56 179.4(6) . . . . ?
C14_56 C15_56 C16_56 C17_56 -3.1(10) . . . . ?
C15_56 C16_56 C17_56 C18_56 2.9(10) . . . . ?
C15_56 C16_56 C17_56 C20_56 -179.5(6) . . . . ?
C16_56 C17_56 C18_56 C19_56 -0.9(10) . . . . ?
C20_56 C17_56 C18_56 C19_56 -178.4(6) . . . . ?
C17_56 C18_56 C19_56 C14_56 -1.0(9) . . . . ?
C15_56 C14_56 C19_56 C18_56 0.9(9) . . . . ?
C3_56 C14_56 C19_56 C18_56 -177.3(5) . . . . ?
C18_56 C17_56 C20_56 O3_56 173.2(6) . . . . ?
C16_56 C17_56 C20_56 O3_56 -4.3(10) . . . . ?
C18_56 C17_56 C20_56 O4_56 -12.1(10) . . . . ?
C16_56 C17_56 C20_56 O4_56 170.4(6) . . . . ?
C6_56 C5_56 C21_56 C22_56 37.5(9) . . . . ?
C4_56 C5_56 C21_56 C22_56 -136.6(6) . . . . ?
C6_56 C5_56 C21_56 C26_56 -136.3(6) . . . . ?
C4_56 C5_56 C21_56 C26_56 49.7(8) . . . . ?
C26_56 C21_56 C22_56 C23_56 -4.6(9) . . . . ?
C5_56 C21_56 C22_56 C23_56 -178.6(5) . . . . ?
C21_56 C22_56 C23_56 C24_56 0.5(10) . . . . ?
C22_56 C23_56 C24_56 C25_56 1.4(10) . . . . ?
C22_56 C23_56 C24_56 C27_56 -175.7(6) . . . . ?
C23_56 C24_56 C25_56 C26_56 1.0(10) . . . . ?
C27_56 C24_56 C25_56 C26_56 178.1(6) . . . . ?
C24_56 C25_56 C26_56 C21_56 -5.3(9) . . . . ?
C22_56 C21_56 C26_56 C25_56 7.0(9) . . . . ?
C5_56 C21_56 C26_56 C25_56 -179.0(5) . . . . ?
C23_56 C24_56 C27_56 O5_56 5.6(10) . . . . ?
C25_56 C24_56 C27_56 O5_56 -171.5(6) . . . . ?
C23_56 C24_56 C27_56 O6_56 -175.1(6) . . . . ?
C25_56 C24_56 C27_56 O6_56 7.8(9) . . . . ?

_refine_diff_density_max         0.436
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.065

# start Validation Reply Form
_vrf_CHEMW03_I                   
;
PROBLEM: ALERT: The ratio of given/expected molecular weight as
RESPONSE: Checkcif erroneously detects an infinite number of 
hydrogen atoms. This might be due to the unusually large number 
of symmetry independent atoms in this structure. 
;
_vrf_PLAT112_I                   
;
PROBLEM: ALERT: ADDSYM Detects Additional (Pseudo) Symm. Elem... 
I Check
RESPONSE: The pseudo I-centering is obeyed by ca. 81% of atoms in 
this structure when using a 1 degree tolerance for metric symmetry 
and 0.45 Angstroms for translation tolerance. 
;
_vrf_PLAT420_I                   
;
PROBLEM: ALERT: D-H Without Acceptor
RESPONSE: The functional groups in question form strong hydrogen 
bonds (carboxylate dimers). This alert is in error. 
;
_vrf_CELLZ01_I                   
;
PROBLEM: ALERT: Difference between formula and atom_site contents 
detected
RESPONSE: Checkcif erroneously detects an infinite number of 
carbon atoms. This might be due to the unusually large number 
of symmetry independent atoms in this structure.
;
# end Validation Reply Form



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

data_mo_jesse04_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 1400566'
_audit_update_record             
;
2015-05-12 deposited with the CCDC.
2015-06-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        1,3,5-tris(4-carboxyphenyl)benzene
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H18 O6'
_chemical_formula_sum            'C27 H18 O6'
_chemical_formula_weight         438.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'I 2'
_space_group_name_Hall           'I 2y'

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

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

_cell_length_a                   31.419(6)
_cell_length_b                   30.116(6)
_cell_length_c                   45.320(9)
_cell_angle_alpha                90
_cell_angle_beta                 90.412(2)
_cell_angle_gamma                90
_cell_volume                     42880(14)
_cell_formula_units_Z            56
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9644
_cell_measurement_theta_min      2.2087
_cell_measurement_theta_max      27.4015

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.951
_exptl_crystal_F_000             12768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          1.192
_exptl_crystal_size_mid          0.244
_exptl_crystal_size_min          0.064
_exptl_absorpt_coefficient_mu    0.067
_shelx_estimated_absorpt_T_min   0.924
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6747
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   'sadabs (Sheldrick, 2011)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_radiation_monochromator  'TRIUMPH curved graphite monochromator'
_diffrn_measurement_device_type  
'fixed-chi duo Bruker AXS APEXII CCD diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            246101
_diffrn_reflns_av_unetI/netI     0.0937
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_theta_min         1.797
_diffrn_reflns_theta_max         27.528
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             96106
_reflns_number_gt                46684
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.935
_reflns_Friedel_fraction_max     0.959
_reflns_Friedel_fraction_full    0.997

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

_computing_data_collection       'Apex2 v2011.2-0 (Bruker, 2011)'
_computing_cell_refinement       'SAINT V7.68A (Bruker, 2011)'
_computing_data_reduction        'SAINT V7.68A (Bruker, 2011)'
_computing_structure_solution    'SHELXD (Bruker, 2011)'
_computing_structure_refinement  
;  
SHELXL-2014/7 (Sheldrick, 2014), 
SHELXLE Rev686 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0551P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 16234 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.4(5)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         96106
_refine_ls_number_parameters     4201
_refine_ls_number_restraints     43
_refine_ls_R_factor_all          0.1331
_refine_ls_R_factor_gt           0.0533
_refine_ls_wR_factor_ref         0.1381
_refine_ls_wR_factor_gt          0.1112
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_restrained_S_all      0.901
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1_1 C 0.27460(15) 0.18168(15) 1.03060(10) 0.0340(11) Uani 1 1 d . . . . .
C2_1 C 0.27243(15) 0.20933(15) 1.05536(10) 0.0330(11) Uani 1 1 d . . . . .
H2_1 H 0.2981 0.2192 1.0645 0.040 Uiso 1 1 calc R U . . .
C3_1 C 0.23362(15) 0.22267(15) 1.06691(10) 0.0315(11) Uani 1 1 d . . . . .
C4_1 C 0.19648(15) 0.20874(15) 1.05271(10) 0.0331(12) Uani 1 1 d . . . . .
H4_1 H 0.1697 0.2183 1.0600 0.040 Uiso 1 1 calc R U . . .
C5_1 C 0.19782(15) 0.18122(16) 1.02814(10) 0.0348(12) Uani 1 1 d . . . . .
C6_1 C 0.23668(15) 0.16787(16) 1.01730(10) 0.0316(11) Uani 1 1 d . . . . .
H6_1 H 0.2376 0.1490 1.0005 0.038 Uiso 1 1 calc R U . . .
C7_1 C 0.31650(14) 0.16874(16) 1.01774(9) 0.0327(11) Uani 1 1 d . . . . .
C8_1 C 0.35088(14) 0.19846(16) 1.01791(10) 0.0358(11) Uani 1 1 d . . . . .
H8_1 H 0.3476 0.2268 1.0268 0.043 Uiso 1 1 calc R U . . .
C9_1 C 0.38899(15) 0.18743(17) 1.00551(10) 0.0377(12) Uani 1 1 d . . . . .
H9_1 H 0.4119 0.2080 1.0059 0.045 Uiso 1 1 calc R U . . .
C10_1 C 0.39419(15) 0.14578(17) 0.99229(10) 0.0397(12) Uani 1 1 d . . . . .
C11_1 C 0.36084(15) 0.11612(18) 0.99249(10) 0.0445(13) Uani 1 1 d . . . . .
H11_1 H 0.3643 0.0876 0.9839 0.053 Uiso 1 1 calc R U . . .
C12_1 C 0.32215(15) 0.12765(16) 1.00515(10) 0.0397(12) Uani 1 1 d . . . . .
H12_1 H 0.2994 0.1069 1.0051 0.048 Uiso 1 1 calc R U . . .
C13_1 C 0.43480(16) 0.1344(2) 0.97747(11) 0.0450(13) Uani 1 1 d . . . . .
C14_1 C 0.23183(16) 0.25119(16) 1.09376(11) 0.0344(12) Uani 1 1 d . . . . .
C15_1 C 0.19758(16) 0.28062(16) 1.09828(11) 0.0374(12) Uani 1 1 d . . . . .
H15_1 H 0.1752 0.2821 1.0841 0.045 Uiso 1 1 calc R U . . .
C16_1 C 0.19609(16) 0.30735(16) 1.12309(10) 0.0379(12) Uani 1 1 d . . . . .
H16_1 H 0.1726 0.3268 1.1259 0.045 Uiso 1 1 calc R U . . .
C17_1 C 0.22865(16) 0.30584(15) 1.14376(10) 0.0374(12) Uani 1 1 d . . . . .
C18_1 C 0.26257(16) 0.27754(16) 1.13968(10) 0.0392(13) Uani 1 1 d . . . . .
H18_1 H 0.2851 0.2765 1.1538 0.047 Uiso 1 1 calc R U . . .
C19_1 C 0.26373(17) 0.25040(16) 1.11471(10) 0.0379(13) Uani 1 1 d . . . . .
H19_1 H 0.2872 0.2309 1.1121 0.045 Uiso 1 1 calc R U . . .
C20_1 C 0.22909(19) 0.33338(18) 1.17091(12) 0.0413(14) Uani 1 1 d . . . . .
C21_1 C 0.15701(15) 0.16709(16) 1.01345(9) 0.0340(11) Uani 1 1 d . . . . .
C22_1 C 0.15250(15) 0.12384(16) 1.00261(10) 0.0394(12) Uani 1 1 d . . . . .
H22_1 H 0.1751 0.1030 1.0047 0.047 Uiso 1 1 calc R U . . .
C23_1 C 0.11458(16) 0.11158(18) 0.98875(10) 0.0453(13) Uani 1 1 d . . . . .
H23_1 H 0.1112 0.0822 0.9816 0.054 Uiso 1 1 calc R U . . .
C24_1 C 0.08204(15) 0.14177(19) 0.98538(10) 0.0426(13) Uani 1 1 d . . . . .
C25_1 C 0.08620(15) 0.18418(18) 0.99617(10) 0.0426(13) Uani 1 1 d . . . . .
H25_1 H 0.0634 0.2047 0.9940 0.051 Uiso 1 1 calc R U . . .
C26_1 C 0.12361(14) 0.19722(17) 1.01030(9) 0.0387(12) Uani 1 1 d . . . . .
H26_1 H 0.1264 0.2266 1.0178 0.046 Uiso 1 1 calc R U . . .
C27_1 C 0.04127(17) 0.1296(2) 0.97020(11) 0.0481(14) Uani 1 1 d . . . . .
O1_1 O 0.46390(10) 0.16334(12) 0.97551(7) 0.0488(9) Uani 1 1 d . . . . .
O2_1 O 0.43792(12) 0.09559(14) 0.96694(10) 0.0742(13) Uani 1 1 d . . . . .
H2A_1 H 0.4610 0.0932 0.9579 0.111 Uiso 1 1 calc R U . . .
O3_1 O 0.19684(11) 0.36216(12) 1.17227(8) 0.0489(9) Uani 1 1 d . . . . .
H3A_1 H 0.1987 0.3769 1.1880 0.073 Uiso 1 1 calc R U . . .
O4_1 O 0.25601(12) 0.32967(12) 1.18989(8) 0.0538(10) Uani 1 1 d . . . . .
O5_1 O 0.03762(12) 0.08856(14) 0.96257(10) 0.0711(12) Uani 1 1 d . . . . .
H5A_1 H 0.0127 0.0838 0.9565 0.107 Uiso 1 1 calc R U . . .
O6_1 O 0.01407(11) 0.15848(13) 0.96526(8) 0.0601(11) Uani 1 1 d . . . . .
C1_2 C 0.24920(15) 0.29841(14) 1.00095(10) 0.0275(11) Uani 1 1 d . . . . .
C2_2 C 0.28700(14) 0.28542(14) 0.98825(10) 0.0280(11) Uani 1 1 d . . . . .
H2_2 H 0.3131 0.2954 0.9967 0.034 Uiso 1 1 calc R U . . .
C3_2 C 0.28808(14) 0.25797(15) 0.96328(10) 0.0295(11) Uani 1 1 d . . . . .
C4_2 C 0.24913(14) 0.24429(15) 0.95089(10) 0.0284(11) Uani 1 1 d . . . . .
H4_2 H 0.2491 0.2258 0.9339 0.034 Uiso 1 1 calc R U . . .
C5_2 C 0.21075(14) 0.25727(15) 0.96307(10) 0.0303(11) Uani 1 1 d . . . . .
C6_2 C 0.21106(14) 0.28385(15) 0.98825(10) 0.0296(11) Uani 1 1 d . . . . .
H6_2 H 0.1848 0.2922 0.9969 0.036 Uiso 1 1 calc R U . . .
C7_2 C 0.24927(15) 0.32702(15) 1.02788(11) 0.0312(11) Uani 1 1 d . . . . .
C8_2 C 0.28307(16) 0.32581(15) 1.04794(10) 0.0334(12) Uani 1 1 d . . . . .
H8_2 H 0.3064 0.3065 1.0446 0.040 Uiso 1 1 calc R U . . .
C9_2 C 0.28270(16) 0.35265(15) 1.07271(10) 0.0349(12) Uani 1 1 d . . . . .
H9_2 H 0.3057 0.3512 1.0864 0.042 Uiso 1 1 calc R U . . .
C10_2 C 0.24938(16) 0.38162(15) 1.07780(10) 0.0353(12) Uani 1 1 d . . . . .
C11_2 C 0.21585(16) 0.38351(16) 1.05825(10) 0.0349(12) Uani 1 1 d . . . . .
H11_2 H 0.1929 0.4033 1.0617 0.042 Uiso 1 1 calc R U . . .
C12_2 C 0.21554(15) 0.35646(16) 1.03340(10) 0.0344(12) Uani 1 1 d . . . . .
H12_2 H 0.1922 0.3579 1.0200 0.041 Uiso 1 1 calc R U . . .
C13_2 C 0.2507(2) 0.4095(2) 1.10472(12) 0.0384(12) Uani 1 1 d . . . . .
C14_2 C 0.32897(14) 0.24454(15) 0.95026(9) 0.0310(11) Uani 1 1 d . . . . .
C15_2 C 0.33273(14) 0.20261(15) 0.93692(9) 0.0323(11) Uani 1 1 d . . . . .
H15_2 H 0.3091 0.1829 0.9368 0.039 Uiso 1 1 calc R U . . .
C16_2 C 0.37072(14) 0.18981(16) 0.92388(10) 0.0349(11) Uani 1 1 d . . . . .
H16_2 H 0.3729 0.1615 0.9148 0.042 Uiso 1 1 calc R U . . .
C17_2 C 0.40552(14) 0.21828(16) 0.92411(10) 0.0331(11) Uani 1 1 d . . . . .
C18_2 C 0.40231(14) 0.25935(15) 0.93794(10) 0.0343(11) Uani 1 1 d . . . . .
H18_2 H 0.4263 0.2785 0.9386 0.041 Uiso 1 1 calc R U . . .
C19_2 C 0.36479(13) 0.27254(16) 0.95072(10) 0.0333(11) Uani 1 1 d . . . . .
H19_2 H 0.3631 0.3008 0.9599 0.040 Uiso 1 1 calc R U . . .
C20_2 C 0.44613(15) 0.20588(17) 0.90975(11) 0.0383(12) Uani 1 1 d . . . . .
C21_2 C 0.16953(14) 0.24385(15) 0.94911(9) 0.0290(11) Uani 1 1 d . . . . .
C22_2 C 0.13539(14) 0.27372(16) 0.94847(10) 0.0339(11) Uani 1 1 d . . . . .
H22_2 H 0.1386 0.3025 0.9569 0.041 Uiso 1 1 calc R U . . .
C23_2 C 0.09670(14) 0.26141(17) 0.93555(10) 0.0392(12) Uani 1 1 d . . . . .
H23_2 H 0.0736 0.2817 0.9353 0.047 Uiso 1 1 calc R U . . .
C24_2 C 0.09180(14) 0.21959(16) 0.92307(10) 0.0358(12) Uani 1 1 d . . . . .
C25_2 C 0.12611(14) 0.19007(16) 0.92370(10) 0.0360(12) Uani 1 1 d . . . . .
H25_2 H 0.1230 0.1615 0.9151 0.043 Uiso 1 1 calc R U . . .
C26_2 C 0.16474(14) 0.20189(16) 0.93671(9) 0.0318(11) Uani 1 1 d . . . . .
H26_2 H 0.1877 0.1814 0.9371 0.038 Uiso 1 1 calc R U . . .
C27_2 C 0.05085(16) 0.20777(18) 0.90915(11) 0.0410(13) Uani 1 1 d . . . . .
O1_2 O 0.27893(12) 0.40432(12) 1.12367(8) 0.0474(9) Uani 1 1 d . . . . .
O2_2 O 0.22044(12) 0.43833(12) 1.10686(8) 0.0538(10) Uani 1 1 d . . . . .
H2A_2 H 0.2211 0.4499 1.1237 0.081 Uiso 1 1 calc R U . . .
O3_2 O 0.44714(10) 0.16715(12) 0.89776(8) 0.0529(10) Uani 1 1 d . . . . .
H3A_2 H 0.4700 0.1642 0.8884 0.079 Uiso 1 1 calc R U . . .
O4_2 O 0.47662(10) 0.23213(12) 0.90955(8) 0.0517(10) Uani 1 1 d . . . . .
O5_2 O 0.02118(10) 0.23511(12) 0.90853(8) 0.0533(10) Uani 1 1 d . . . . .
O6_2 O 0.04829(10) 0.16845(12) 0.89809(8) 0.0511(9) Uani 1 1 d . . . . .
H6A_2 H 0.0238 0.1645 0.8909 0.077 Uiso 1 1 calc R U . . .
C1_3 C 0.26610(14) 0.37370(15) 0.93535(10) 0.0291(11) Uani 1 1 d . . . . .
C2_3 C 0.30295(14) 0.35945(14) 0.92202(9) 0.0289(11) Uani 1 1 d . . . . .
H2_3 H 0.3296 0.3681 0.9302 0.035 Uiso 1 1 calc R U . . .
C3_3 C 0.30227(15) 0.33240(15) 0.89668(10) 0.0327(11) Uani 1 1 d . . . . .
C4_3 C 0.26242(15) 0.32067(15) 0.88514(10) 0.0303(11) Uani 1 1 d . . . . .
H4_3 H 0.2610 0.3030 0.8678 0.036 Uiso 1 1 calc R U . . .
C5_3 C 0.22493(14) 0.33418(15) 0.89838(9) 0.0293(11) Uani 1 1 d . . . . .
C6_3 C 0.22703(14) 0.36051(15) 0.92331(10) 0.0311(11) Uani 1 1 d . . . . .
H6_3 H 0.2014 0.3698 0.9324 0.037 Uiso 1 1 calc R U . . .
C7_3 C 0.26799(15) 0.40258(16) 0.96235(10) 0.0310(12) Uani 1 1 d . . . . .
C8_3 C 0.30247(16) 0.40189(16) 0.98147(11) 0.0365(12) Uani 1 1 d . . . . .
H8_3 H 0.3259 0.3829 0.9774 0.044 Uiso 1 1 calc R U . . .
C9_3 C 0.30343(16) 0.42829(16) 1.00625(10) 0.0370(12) Uani 1 1 d . . . . .
H9_3 H 0.3277 0.4277 1.0189 0.044 Uiso 1 1 calc R U . . .
C10_3 C 0.26938(16) 0.45582(15) 1.01299(10) 0.0335(11) Uani 1 1 d . . . . .
C11_3 C 0.23436(16) 0.45652(15) 0.99399(10) 0.0356(12) Uani 1 1 d . . . . .
H11_3 H 0.2106 0.4747 0.9985 0.043 Uiso 1 1 calc R U . . .
C12_3 C 0.23394(16) 0.43118(16) 0.96895(10) 0.0344(12) Uani 1 1 d . . . . .
H12_3 H 0.2103 0.4329 0.9558 0.041 Uiso 1 1 calc R U . . .
C13_3 C 0.27054(19) 0.48292(18) 1.03989(12) 0.0373(13) Uani 1 1 d . . . . .
C14_3 C 0.34209(14) 0.31838(16) 0.88234(9) 0.0322(11) Uani 1 1 d . . . . .
C15_3 C 0.34491(15) 0.27840(17) 0.86711(9) 0.0369(12) Uani 1 1 d . . . . .
H15_3 H 0.3205 0.2600 0.8653 0.044 Uiso 1 1 calc R U . . .
C16_3 C 0.38298(14) 0.26499(17) 0.85451(10) 0.0395(12) Uani 1 1 d . . . . .
H16_3 H 0.3844 0.2375 0.8443 0.047 Uiso 1 1 calc R U . . .
C17_3 C 0.41895(15) 0.29154(17) 0.85676(11) 0.0408(13) Uani 1 1 d . . . . .
C18_3 C 0.41687(15) 0.33137(17) 0.87187(11) 0.0454(13) Uani 1 1 d . . . . .
H18_3 H 0.4413 0.3498 0.8733 0.055 Uiso 1 1 calc R U . . .
C19_3 C 0.37898(15) 0.34450(16) 0.88493(11) 0.0432(13) Uani 1 1 d . . . . .
H19_3 H 0.3780 0.3715 0.8958 0.052 Uiso 1 1 calc R U . . .
C20_3 C 0.45966(15) 0.27782(18) 0.84251(11) 0.0406(13) Uani 1 1 d . . . . .
C21_3 C 0.18247(14) 0.32154(15) 0.88574(9) 0.0304(11) Uani 1 1 d . . . . .
C22_3 C 0.14877(14) 0.35160(16) 0.88693(10) 0.0357(11) Uani 1 1 d . . . . .
H22_3 H 0.1531 0.3799 0.8957 0.043 Uiso 1 1 calc R U . . .
C23_3 C 0.10945(15) 0.34086(17) 0.87559(11) 0.0435(13) Uani 1 1 d . . . . .
H23_3 H 0.0870 0.3620 0.8764 0.052 Uiso 1 1 calc R U . . .
C24_3 C 0.10212(15) 0.29974(16) 0.86307(10) 0.0369(12) Uani 1 1 d . . . . .
C25_3 C 0.13552(15) 0.26900(17) 0.86197(10) 0.0380(12) Uani 1 1 d . . . . .
H25_3 H 0.1309 0.2404 0.8537 0.046 Uiso 1 1 calc R U . . .
C26_3 C 0.17535(15) 0.28028(16) 0.87301(10) 0.0358(12) Uani 1 1 d . . . . .
H26_3 H 0.1980 0.2595 0.8718 0.043 Uiso 1 1 calc R U . . .
C27_3 C 0.05955(16) 0.28788(19) 0.85066(11) 0.0442(13) Uani 1 1 d . . . . .
O1_3 O 0.30035(12) 0.48098(12) 1.05761(8) 0.0477(9) Uani 1 1 d . . . . .
O2_3 O 0.23767(13) 0.50871(13) 1.04410(7) 0.0577(11) Uani 1 1 d . . . . .
H2A_3 H 0.2394 0.5204 1.0609 0.087 Uiso 1 1 calc R U . . .
O3_3 O 0.46201(10) 0.24016(12) 0.83047(7) 0.0505(10) Uani 1 1 d . . . . .
O4_3 O 0.48990(11) 0.30547(13) 0.84387(9) 0.0645(11) Uani 1 1 d . . . . .
H4A_3 H 0.5109 0.2955 0.8347 0.097 Uiso 1 1 calc R U . . .
O5_3 O 0.03089(11) 0.31581(12) 0.84883(9) 0.0610(11) Uani 1 1 d . . . . .
O6_3 O 0.05604(11) 0.24702(12) 0.84235(8) 0.0539(10) Uani 1 1 d . . . . .
H6A_3 H 0.0325 0.2434 0.8337 0.081 Uiso 1 1 calc R U . . .
C1_4 C 0.22560(14) 0.43841(15) 0.85170(10) 0.0313(11) Uani 1 1 d . . . . .
C2_4 C 0.26455(14) 0.45177(15) 0.86339(9) 0.0305(11) Uani 1 1 d . . . . .
H2_4 H 0.2899 0.4421 0.8541 0.037 Uiso 1 1 calc R U . . .
C3_4 C 0.26772(15) 0.47907(14) 0.88837(9) 0.0296(11) Uani 1 1 d . . . . .
C4_4 C 0.23001(14) 0.49357(15) 0.90135(10) 0.0305(11) Uani 1 1 d . . . . .
H4_4 H 0.2314 0.5124 0.9181 0.037 Uiso 1 1 calc R U . . .
C5_4 C 0.19044(14) 0.48093(14) 0.89019(9) 0.0290(10) Uani 1 1 d . . . . .
C6_4 C 0.18849(13) 0.45334(14) 0.86559(9) 0.0304(11) Uani 1 1 d . . . . .
H6_4 H 0.1615 0.4445 0.8580 0.036 Uiso 1 1 calc R U . . .
C7_4 C 0.22330(15) 0.40992(15) 0.82490(10) 0.0303(11) Uani 1 1 d . . . . .
C8_4 C 0.25757(15) 0.38346(15) 0.81703(10) 0.0358(12) Uani 1 1 d . . . . .
H8_4 H 0.2822 0.3826 0.8293 0.043 Uiso 1 1 calc R U . . .
C9_4 C 0.25632(15) 0.35805(15) 0.79116(9) 0.0345(11) Uani 1 1 d . . . . .
H9_4 H 0.2800 0.3401 0.7860 0.041 Uiso 1 1 calc R U . . .
C10_4 C 0.22076(14) 0.35911(14) 0.77310(9) 0.0297(10) Uani 1 1 d . . . . .
C11_4 C 0.18621(14) 0.38449(14) 0.78104(10) 0.0355(11) Uani 1 1 d . . . . .
H11_4 H 0.1614 0.3844 0.7689 0.043 Uiso 1 1 calc R U . . .
C12_4 C 0.18715(14) 0.41016(15) 0.80642(10) 0.0325(11) Uani 1 1 d . . . . .
H12_4 H 0.1633 0.4280 0.8113 0.039 Uiso 1 1 calc R U . . .
C13_4 C 0.22034(17) 0.33282(16) 0.74527(10) 0.0346(12) Uani 1 1 d . . . . .
C14_4 C 0.30983(14) 0.49208(15) 0.89999(9) 0.0297(11) Uani 1 1 d . . . . .
C15_4 C 0.31780(15) 0.53469(16) 0.91088(10) 0.0368(12) Uani 1 1 d . . . . .
H15_4 H 0.2955 0.5560 0.9112 0.044 Uiso 1 1 calc R U . . .
C16_4 C 0.35779(14) 0.54607(16) 0.92123(10) 0.0367(12) Uani 1 1 d . . . . .
H16_4 H 0.3628 0.5753 0.9284 0.044 Uiso 1 1 calc R U . . .
C17_4 C 0.39072(14) 0.51535(16) 0.92131(10) 0.0367(12) Uani 1 1 d . . . . .
C18_4 C 0.38372(14) 0.47317(16) 0.91052(10) 0.0403(12) Uani 1 1 d . . . . .
H18_4 H 0.4061 0.4519 0.9105 0.048 Uiso 1 1 calc R U . . .
C19_4 C 0.34347(14) 0.46190(16) 0.89952(10) 0.0400(12) Uani 1 1 d . . . . .
H19_4 H 0.3389 0.4331 0.8916 0.048 Uiso 1 1 calc R U . . .
C20_4 C 0.43296(16) 0.52873(19) 0.93280(11) 0.0452(13) Uani 1 1 d . . . . .
C21_4 C 0.15003(14) 0.49632(16) 0.90433(9) 0.0344(11) Uani 1 1 d . . . . .
C22_4 C 0.11351(14) 0.47042(17) 0.90308(10) 0.0436(12) Uani 1 1 d . . . . .
H22_4 H 0.1145 0.4424 0.8935 0.052 Uiso 1 1 calc R U . . .
C23_4 C 0.07589(15) 0.48439(16) 0.91547(11) 0.0465(13) Uani 1 1 d . . . . .
H23_4 H 0.0514 0.4659 0.9147 0.056 Uiso 1 1 calc R U . . .
C24_4 C 0.07385(14) 0.52554(16) 0.92910(10) 0.0384(12) Uani 1 1 d . . . . .
C25_4 C 0.11003(14) 0.55237(16) 0.93047(10) 0.0395(12) Uani 1 1 d . . . . .
H25_4 H 0.1089 0.5806 0.9397 0.047 Uiso 1 1 calc R U . . .
C26_4 C 0.14745(14) 0.53738(16) 0.91822(9) 0.0374(12) Uani 1 1 d . . . . .
H26_4 H 0.1721 0.5556 0.9193 0.045 Uiso 1 1 calc R U . . .
C27_4 C 0.03362(16) 0.54066(18) 0.94234(11) 0.0458(13) Uani 1 1 d . . . . .
O1_4 O 0.25366(12) 0.30970(12) 0.74021(7) 0.0511(10) Uani 1 1 d . . . . .
H1A_4 H 0.2513 0.2974 0.7236 0.077 Uiso 1 1 calc R U . . .
O2_4 O 0.18844(10) 0.33470(10) 0.72806(7) 0.0409(8) Uani 1 1 d . . . . .
O3_4 O 0.43811(10) 0.56955(12) 0.93960(8) 0.0502(9) Uani 1 1 d . . . . .
H3A_4 H 0.4626 0.5732 0.9467 0.075 Uiso 1 1 calc R U . . .
O4_4 O 0.46188(11) 0.49921(12) 0.93585(8) 0.0610(10) Uani 1 1 d . . . . .
O5_4 O 0.03059(10) 0.57894(12) 0.95326(7) 0.0496(9) Uani 1 1 d . . . . .
O6_4 O 0.00282(11) 0.51250(12) 0.94167(9) 0.0687(12) Uani 1 1 d . . . . .
H6A_4 H -0.0187 0.5236 0.9498 0.103 Uiso 1 1 calc R U . . .
C1_5 C 0.24197(15) 0.51077(15) 0.78337(10) 0.0284(11) Uani 1 1 d . . . . .
C2_5 C 0.28049(15) 0.52521(15) 0.79577(10) 0.0303(11) Uani 1 1 d . . . . .
H2_5 H 0.3065 0.5168 0.7867 0.036 Uiso 1 1 calc R U . . .
C3_5 C 0.28177(14) 0.55188(14) 0.82127(10) 0.0272(11) Uani 1 1 d . . . . .
C4_5 C 0.24337(14) 0.56454(15) 0.83383(10) 0.0265(11) Uani 1 1 d . . . . .
H4_5 H 0.2438 0.5826 0.8510 0.032 Uiso 1 1 calc R U . . .
C5_5 C 0.20427(14) 0.55139(14) 0.82191(10) 0.0257(10) Uani 1 1 d . . . . .
C6_5 C 0.20431(15) 0.52454(15) 0.79693(10) 0.0296(11) Uani 1 1 d . . . . .
H6_5 H 0.1778 0.5152 0.7888 0.036 Uiso 1 1 calc R U . . .
C7_5 C 0.24116(15) 0.48271(15) 0.75671(10) 0.0286(11) Uani 1 1 d . . . . .
C8_5 C 0.27444(15) 0.45376(16) 0.75018(10) 0.0320(12) Uani 1 1 d . . . . .
H8_5 H 0.2981 0.4520 0.7633 0.038 Uiso 1 1 calc R U . . .
C9_5 C 0.27410(16) 0.42772(16) 0.72531(10) 0.0353(12) Uani 1 1 d . . . . .
H9_5 H 0.2971 0.4081 0.7215 0.042 Uiso 1 1 calc R U . . .
C10_5 C 0.23980(15) 0.43023(15) 0.70557(9) 0.0305(11) Uani 1 1 d . . . . .
C11_5 C 0.20611(15) 0.45887(15) 0.71135(10) 0.0327(12) Uani 1 1 d . . . . .
H11_5 H 0.1827 0.4609 0.6980 0.039 Uiso 1 1 calc R U . . .
C12_5 C 0.20713(16) 0.48439(16) 0.73682(10) 0.0342(12) Uani 1 1 d . . . . .
H12_5 H 0.1839 0.5036 0.7408 0.041 Uiso 1 1 calc R U . . .
C13_5 C 0.23963(19) 0.40317(18) 0.67819(11) 0.0369(14) Uani 1 1 d . . . . .
C14_5 C 0.32293(14) 0.56535(15) 0.83422(10) 0.0285(11) Uani 1 1 d . . . . .
C15_5 C 0.32901(14) 0.60777(16) 0.84568(10) 0.0313(11) Uani 1 1 d . . . . .
H15_5 H 0.3061 0.6284 0.8452 0.038 Uiso 1 1 calc R U . . .
C16_5 C 0.36773(14) 0.62052(16) 0.85772(10) 0.0322(11) Uani 1 1 d . . . . .
H16_5 H 0.3711 0.6496 0.8655 0.039 Uiso 1 1 calc R U . . .
C17_5 C 0.40128(15) 0.59136(17) 0.85845(10) 0.0351(12) Uani 1 1 d . . . . .
C18_5 C 0.39628(15) 0.54894(16) 0.84733(10) 0.0348(12) Uani 1 1 d . . . . .
H18_5 H 0.4195 0.5287 0.8478 0.042 Uiso 1 1 calc R U . . .
C19_5 C 0.35740(14) 0.53575(16) 0.83541(10) 0.0322(11) Uani 1 1 d . . . . .
H19_5 H 0.3541 0.5064 0.8280 0.039 Uiso 1 1 calc R U . . .
C20_5 C 0.44321(16) 0.60343(17) 0.87148(11) 0.0383(12) Uani 1 1 d . . . . .
C21_5 C 0.16342(14) 0.56624(16) 0.83535(9) 0.0301(11) Uani 1 1 d . . . . .
C22_5 C 0.12774(14) 0.53893(16) 0.83500(10) 0.0336(11) Uani 1 1 d . . . . .
H22_5 H 0.1294 0.5105 0.8261 0.040 Uiso 1 1 calc R U . . .
C23_5 C 0.08996(15) 0.55263(16) 0.84748(10) 0.0362(12) Uani 1 1 d . . . . .
H23_5 H 0.0658 0.5336 0.8469 0.043 Uiso 1 1 calc R U . . .
C24_5 C 0.08704(14) 0.59392(17) 0.86077(10) 0.0342(12) Uani 1 1 d . . . . .
C25_5 C 0.12244(14) 0.62146(16) 0.86112(10) 0.0346(12) Uani 1 1 d . . . . .
H25_5 H 0.1209 0.6498 0.8702 0.041 Uiso 1 1 calc R U . . .
C26_5 C 0.16000(14) 0.60761(15) 0.84825(9) 0.0292(11) Uani 1 1 d . . . . .
H26_5 H 0.1839 0.6270 0.8483 0.035 Uiso 1 1 calc R U . . .
C27_5 C 0.04701(16) 0.60745(19) 0.87435(11) 0.0393(13) Uani 1 1 d . . . . .
O1_5 O 0.26990(12) 0.37535(12) 0.67508(8) 0.0505(10) Uani 1 1 d . . . . .
H1A_5 H 0.2653 0.3598 0.6600 0.076 Uiso 1 1 calc R U . . .
O2_5 O 0.20978(12) 0.40873(12) 0.65947(8) 0.0488(10) Uani 1 1 d . . . . .
O3_5 O 0.44593(10) 0.64429(12) 0.88073(8) 0.0509(10) Uani 1 1 d . . . . .
H3A_5 H 0.4712 0.6499 0.8856 0.076 Uiso 1 1 calc R U . . .
O4_5 O 0.47287(11) 0.57637(12) 0.87266(8) 0.0482(9) Uani 1 1 d . . . . .
O5_5 O 0.01613(11) 0.58122(12) 0.87484(8) 0.0528(10) Uani 1 1 d . . . . .
O6_5 O 0.04552(11) 0.64663(12) 0.88561(8) 0.0505(10) Uani 1 1 d . . . . .
H6A_5 H 0.0221 0.6502 0.8941 0.076 Uiso 1 1 calc R U . . .
C1_6 C 0.26090(15) 0.58653(15) 0.71930(10) 0.0270(11) Uani 1 1 d . . . . .
C2_6 C 0.22245(14) 0.60026(15) 0.73186(10) 0.0298(11) Uani 1 1 d . . . . .
H2_6 H 0.1965 0.5907 0.7231 0.036 Uiso 1 1 calc R U . . .
C3_6 C 0.22078(14) 0.62722(14) 0.75661(9) 0.0248(10) Uani 1 1 d . . . . .
C4_6 C 0.25954(14) 0.64072(16) 0.76920(10) 0.0292(11) Uani 1 1 d . . . . .
H4_6 H 0.2593 0.6590 0.7863 0.035 Uiso 1 1 calc R U . . .
C5_6 C 0.29851(14) 0.62810(14) 0.75727(9) 0.0247(10) Uani 1 1 d . . . . .
C6_6 C 0.29849(14) 0.60113(15) 0.73199(10) 0.0277(11) Uani 1 1 d . . . . .
H6_6 H 0.3248 0.5928 0.7234 0.033 Uiso 1 1 calc R U . . .
C7_6 C 0.26098(14) 0.55833(15) 0.69219(10) 0.0265(11) Uani 1 1 d . . . . .
C8_6 C 0.22722(16) 0.55964(16) 0.67193(10) 0.0325(12) Uani 1 1 d . . . . .
H8_6 H 0.2037 0.5787 0.6756 0.039 Uiso 1 1 calc R U . . .
C9_6 C 0.22738(16) 0.53398(16) 0.64691(11) 0.0355(12) Uani 1 1 d . . . . .
H9_6 H 0.2042 0.5354 0.6334 0.043 Uiso 1 1 calc R U . . .
C10_6 C 0.26163(16) 0.50577(15) 0.64132(10) 0.0331(12) Uani 1 1 d . . . . .
C11_6 C 0.29508(15) 0.50372(16) 0.66139(10) 0.0339(12) Uani 1 1 d . . . . .
H11_6 H 0.3184 0.4844 0.6578 0.041 Uiso 1 1 calc R U . . .
C12_6 C 0.29459(15) 0.52986(16) 0.68679(10) 0.0322(12) Uani 1 1 d . . . . .
H12_6 H 0.3175 0.5281 0.7005 0.039 Uiso 1 1 calc R U . . .
C13_6 C 0.26212(18) 0.47926(17) 0.61376(11) 0.0344(13) Uani 1 1 d . . . . .
C14_6 C 0.17966(14) 0.64114(15) 0.76953(9) 0.0274(11) Uani 1 1 d . . . . .
C15_6 C 0.17547(14) 0.68232(15) 0.78289(9) 0.0307(11) Uani 1 1 d . . . . .
H15_6 H 0.1993 0.7017 0.7836 0.037 Uiso 1 1 calc R U . . .
C16_6 C 0.13734(14) 0.69579(16) 0.79521(10) 0.0317(11) Uani 1 1 d . . . . .
H16_6 H 0.1350 0.7241 0.8043 0.038 Uiso 1 1 calc R U . . .
C17_6 C 0.10245(14) 0.66713(16) 0.79403(10) 0.0313(11) Uani 1 1 d . . . . .
C18_6 C 0.10571(15) 0.62641(16) 0.78081(9) 0.0331(12) Uani 1 1 d . . . . .
H18_6 H 0.0819 0.6070 0.7801 0.040 Uiso 1 1 calc R U . . .
C19_6 C 0.14429(14) 0.61357(15) 0.76837(9) 0.0307(11) Uani 1 1 d . . . . .
H19_6 H 0.1464 0.5855 0.7589 0.037 Uiso 1 1 calc R U . . .
C20_6 C 0.06154(15) 0.68055(17) 0.80768(10) 0.0350(12) Uani 1 1 d . . . . .
C21_6 C 0.33902(14) 0.64237(15) 0.77119(9) 0.0274(11) Uani 1 1 d . . . . .
C22_6 C 0.37335(14) 0.61394(16) 0.77344(10) 0.0336(11) Uani 1 1 d . . . . .
H22_6 H 0.3708 0.5846 0.7659 0.040 Uiso 1 1 calc R U . . .
C23_6 C 0.41107(15) 0.62701(16) 0.78628(10) 0.0346(12) Uani 1 1 d . . . . .
H23_6 H 0.4343 0.6068 0.7875 0.042 Uiso 1 1 calc R U . . .
C24_6 C 0.41529(15) 0.66956(17) 0.79750(10) 0.0352(12) Uani 1 1 d . . . . .
C25_6 C 0.38139(14) 0.69886(16) 0.79581(10) 0.0326(11) Uani 1 1 d . . . . .
H25_6 H 0.3840 0.7280 0.8036 0.039 Uiso 1 1 calc R U . . .
C26_6 C 0.34363(14) 0.68524(15) 0.78262(10) 0.0315(11) Uani 1 1 d . . . . .
H26_6 H 0.3205 0.7054 0.7813 0.038 Uiso 1 1 calc R U . . .
C27_6 C 0.45650(16) 0.68267(18) 0.81160(12) 0.0411(13) Uani 1 1 d . . . . .
O1_6 O 0.23301(13) 0.48452(12) 0.59484(8) 0.0517(10) Uani 1 1 d . . . . .
O2_6 O 0.29306(12) 0.45165(12) 0.61071(7) 0.0501(10) Uani 1 1 d . . . . .
H2A_6 H 0.2920 0.4404 0.5938 0.075 Uiso 1 1 calc R U . . .
O3_6 O 0.05975(11) 0.72042(12) 0.81815(8) 0.0519(10) Uani 1 1 d . . . . .
H3A_6 H 0.0368 0.7238 0.8273 0.078 Uiso 1 1 calc R U . . .
O4_6 O 0.03115(10) 0.65319(11) 0.80843(8) 0.0446(9) Uani 1 1 d . . . . .
O5_6 O 0.48585(11) 0.65488(12) 0.81411(8) 0.0512(10) Uani 1 1 d . . . . .
O6_6 O 0.45894(11) 0.72346(12) 0.82097(9) 0.0510(10) Uani 1 1 d . . . . .
H6A_6 H 0.4817 0.7269 0.8305 0.077 Uiso 1 1 calc R U . . .
C1_7 C 0.27520(13) 0.65884(14) 0.65024(9) 0.0270(10) Uani 1 1 d . . . . .
C2_7 C 0.23561(13) 0.67157(14) 0.66220(9) 0.0301(10) Uani 1 1 d . . . . .
H2_7 H 0.2102 0.6625 0.6525 0.036 Uiso 1 1 calc R U . . .
C3_7 C 0.23265(13) 0.69704(13) 0.68781(9) 0.0262(9) Uani 1 1 d . . . . .
C4_7 C 0.27052(13) 0.71085(14) 0.70118(9) 0.0295(10) Uani 1 1 d . . . . .
H4_7 H 0.2692 0.7288 0.7184 0.035 Uiso 1 1 calc R U . . .
C5_7 C 0.31010(14) 0.69917(15) 0.69016(9) 0.0275(11) Uani 1 1 d . . . . .
C6_7 C 0.31177(13) 0.67307(14) 0.66490(9) 0.0286(10) Uani 1 1 d . . . . .
H6_7 H 0.3388 0.6647 0.6574 0.034 Uiso 1 1 calc R U . . .
C7_7 C 0.27712(13) 0.63165(14) 0.62289(9) 0.0262(10) Uani 1 1 d . . . . .
C8_7 C 0.24455(14) 0.63301(15) 0.60197(9) 0.0321(11) Uani 1 1 d . . . . .
H8_7 H 0.2207 0.6517 0.6052 0.038 Uiso 1 1 calc R U . . .
C9_7 C 0.24606(14) 0.60788(14) 0.57672(9) 0.0330(11) Uani 1 1 d . . . . .
H9_7 H 0.2234 0.6092 0.5628 0.040 Uiso 1 1 calc R U . . .
C10_7 C 0.28101(14) 0.58032(14) 0.57155(9) 0.0310(10) Uani 1 1 d . . . . .
C11_7 C 0.31381(13) 0.57828(14) 0.59227(9) 0.0316(10) Uani 1 1 d . . . . .
H11_7 H 0.3376 0.5594 0.5890 0.038 Uiso 1 1 calc R U . . .
C12_7 C 0.31166(13) 0.60384(14) 0.61764(9) 0.0299(10) Uani 1 1 d . . . . .
H12_7 H 0.3342 0.6024 0.6317 0.036 Uiso 1 1 calc R U . . .
C13_7 C 0.28132(15) 0.55392(15) 0.54413(10) 0.0310(11) Uani 1 1 d . . . . .
C14_7 C 0.19083(13) 0.70875(14) 0.70027(9) 0.0299(10) Uani 1 1 d . . . . .
C15_7 C 0.18557(13) 0.74877(15) 0.71468(9) 0.0363(11) Uani 1 1 d . . . . .
H15_7 H 0.2090 0.7686 0.7162 0.044 Uiso 1 1 calc R U . . .
C16_7 C 0.14703(14) 0.76090(15) 0.72702(10) 0.0409(12) Uani 1 1 d . . . . .
H16_7 H 0.1442 0.7888 0.7366 0.049 Uiso 1 1 calc R U . . .
C17_7 C 0.11264(13) 0.73217(15) 0.72529(9) 0.0327(11) Uani 1 1 d . . . . .
C18_7 C 0.11730(14) 0.69156(16) 0.71135(10) 0.0343(12) Uani 1 1 d . . . . .
H18_7 H 0.0940 0.6715 0.7105 0.041 Uiso 1 1 calc R U . . .
C19_7 C 0.15582(13) 0.67989(15) 0.69865(9) 0.0326(10) Uani 1 1 d . . . . .
H19_7 H 0.1585 0.6522 0.6888 0.039 Uiso 1 1 calc R U . . .
C20_7 C 0.07183(14) 0.74513(17) 0.73912(10) 0.0395(12) Uani 1 1 d . . . . .
C21_7 C 0.34965(14) 0.71398(16) 0.70501(10) 0.0309(11) Uani 1 1 d . . . . .
C22_7 C 0.38451(14) 0.68564(15) 0.70800(9) 0.0344(11) Uani 1 1 d . . . . .
H22_7 H 0.3828 0.6563 0.7003 0.041 Uiso 1 1 calc R U . . .
C23_7 C 0.42155(14) 0.69941(16) 0.72191(10) 0.0373(12) Uani 1 1 d . . . . .
H23_7 H 0.4446 0.6793 0.7242 0.045 Uiso 1 1 calc R U . . .
C24_7 C 0.42514(14) 0.74247(16) 0.73249(10) 0.0383(12) Uani 1 1 d . . . . .
C25_7 C 0.39104(14) 0.77129(16) 0.72934(10) 0.0387(11) Uani 1 1 d . . . . .
H25_7 H 0.3932 0.8008 0.7366 0.046 Uiso 1 1 calc R U . . .
C26_7 C 0.35385(13) 0.75720(15) 0.71574(9) 0.0343(11) Uani 1 1 d . . . . .
H26_7 H 0.3307 0.7773 0.7137 0.041 Uiso 1 1 calc R U . . .
C27_7 C 0.46520(15) 0.75658(19) 0.74725(10) 0.0421(12) Uani 1 1 d . . . . .
O1_7 O 0.25308(10) 0.55819(10) 0.52530(7) 0.0442(8) Uani 1 1 d . . . . .
O2_7 O 0.31318(9) 0.52667(10) 0.54153(6) 0.0394(8) Uani 1 1 d . . . . .
H2A_7 H 0.3119 0.5141 0.5250 0.059 Uiso 1 1 calc R U . . .
O3_7 O 0.06750(10) 0.78429(12) 0.74832(8) 0.0624(11) Uani 1 1 d . . . . .
O4_7 O 0.04291(9) 0.71514(11) 0.74073(7) 0.0455(9) Uani 1 1 d . . . . .
H4A_7 H 0.0203 0.7265 0.7471 0.068 Uiso 1 1 calc R U . . .
O5_7 O 0.49246(10) 0.72629(11) 0.75333(8) 0.0537(9) Uani 1 1 d . . . . .
H5A_7 H 0.5160 0.7381 0.7576 0.081 Uiso 1 1 calc R U . . .
O6_7 O 0.47046(11) 0.79726(12) 0.75337(8) 0.0623(10) Uani 1 1 d . . . . .
C1_8 C 0.73291(15) 0.01352(15) 0.84496(10) 0.0297(11) Uani 1 1 d . . . . .
C2_8 C 0.69585(14) 0.02635(15) 0.85949(10) 0.0346(11) Uani 1 1 d . . . . .
H2_8 H 0.6692 0.0167 0.8519 0.042 Uiso 1 1 calc R U . . .
C3_8 C 0.69640(14) 0.05267(15) 0.88464(9) 0.0309(11) Uani 1 1 d . . . . .
C4_8 C 0.73555(14) 0.06576(15) 0.89619(10) 0.0321(11) Uani 1 1 d . . . . .
H4_8 H 0.7365 0.0837 0.9134 0.039 Uiso 1 1 calc R U . . .
C5_8 C 0.77369(14) 0.05289(14) 0.88271(10) 0.0310(11) Uani 1 1 d . . . . .
C6_8 C 0.77154(15) 0.02769(15) 0.85704(10) 0.0342(11) Uani 1 1 d . . . . .
H6_8 H 0.7972 0.0199 0.8474 0.041 Uiso 1 1 calc R U . . .
C7_8 C 0.73183(15) -0.01436(15) 0.81803(10) 0.0313(11) Uani 1 1 d . . . . .
C8_8 C 0.69702(15) -0.01367(15) 0.79853(10) 0.0322(11) Uani 1 1 d . . . . .
H8_8 H 0.6735 0.0050 0.8027 0.039 Uiso 1 1 calc R U . . .
C9_8 C 0.69621(15) -0.03956(15) 0.77334(10) 0.0347(11) Uani 1 1 d . . . . .
H9_8 H 0.6724 -0.0383 0.7603 0.042 Uiso 1 1 calc R U . . .
C10_8 C 0.73005(16) -0.06724(16) 0.76718(11) 0.0351(12) Uani 1 1 d . . . . .
C11_8 C 0.76477(17) -0.06863(17) 0.78611(11) 0.0426(13) Uani 1 1 d . . . . .
H11_8 H 0.7881 -0.0876 0.7818 0.051 Uiso 1 1 calc R U . . .
C12_8 C 0.76573(16) -0.04244(15) 0.81131(11) 0.0384(12) Uani 1 1 d . . . . .
H12_8 H 0.7898 -0.0436 0.8241 0.046 Uiso 1 1 calc R U . . .
C13_8 C 0.72947(18) -0.09546(17) 0.74026(12) 0.0402(13) Uani 1 1 d . . . . .
C14_8 C 0.65609(15) 0.06602(16) 0.89907(10) 0.0361(12) Uani 1 1 d . . . . .
C15_8 C 0.65182(15) 0.10789(17) 0.91192(10) 0.0386(12) Uani 1 1 d . . . . .
H15_8 H 0.6751 0.1280 0.9117 0.046 Uiso 1 1 calc R U . . .
C16_8 C 0.61371(16) 0.12061(19) 0.92508(11) 0.0403(14) Uani 1 1 d . . . . .
H16_8 H 0.6110 0.1491 0.9338 0.048 Uiso 1 1 calc R U . . .
C17_8 C 0.57947(15) 0.09096(18) 0.92525(11) 0.0419(13) Uani 1 1 d . . . . .
C18_8 C 0.58369(17) 0.04939(18) 0.91288(12) 0.0533(15) Uani 1 1 d . . . . .
H18_8 H 0.5604 0.0292 0.9132 0.064 Uiso 1 1 calc R U . . .
C19_8 C 0.62151(16) 0.03695(17) 0.90012(11) 0.0469(13) Uani 1 1 d . . . . .
H19_8 H 0.6241 0.0081 0.8919 0.056 Uiso 1 1 calc R U . . .
C20_8 C 0.53860(18) 0.1035(2) 0.93884(12) 0.0480(14) Uani 1 1 d . . . . .
C21_8 C 0.81547(14) 0.06460(16) 0.89601(10) 0.0330(11) Uani 1 1 d . . . . .
C22_8 C 0.84808(15) 0.03339(16) 0.89767(10) 0.0402(12) Uani 1 1 d . . . . .
H22_8 H 0.8433 0.0042 0.8904 0.048 Uiso 1 1 calc R U . . .
C23_8 C 0.88749(15) 0.04399(17) 0.90978(10) 0.0403(12) Uani 1 1 d . . . . .
H23_8 H 0.9093 0.0222 0.9107 0.048 Uiso 1 1 calc R U . . .
C24_8 C 0.89501(15) 0.08594(17) 0.92039(10) 0.0389(12) Uani 1 1 d . . . . .
C25_8 C 0.86283(16) 0.11739(18) 0.91902(10) 0.0386(13) Uani 1 1 d . . . . .
H25_8 H 0.8680 0.1465 0.9263 0.046 Uiso 1 1 calc R U . . .
C26_8 C 0.82305(16) 0.10697(17) 0.90711(10) 0.0375(13) Uani 1 1 d . . . . .
H26_8 H 0.8012 0.1287 0.9066 0.045 Uiso 1 1 calc R U . . .
C27_8 C 0.93675(18) 0.0977(2) 0.93330(12) 0.0480(14) Uani 1 1 d . . . . .
O1_8 O 0.69993(12) -0.09220(12) 0.72176(8) 0.0495(10) Uani 1 1 d . . . . .
O2_8 O 0.76143(13) -0.12200(13) 0.73736(8) 0.0581(11) Uani 1 1 d . . . . .
H2A_8 H 0.7586 -0.1367 0.7217 0.087 Uiso 1 1 calc R U . . .
O3_8 O 0.53557(10) 0.14381(13) 0.94858(8) 0.0551(10) Uani 1 1 d . . . . .
H3A_8 H 0.5115 0.1476 0.9561 0.083 Uiso 1 1 calc R U . . .
O4_8 O 0.50864(12) 0.07619(14) 0.94004(10) 0.0759(13) Uani 1 1 d . . . . .
O5_8 O 0.96462(12) 0.06860(13) 0.93668(9) 0.0652(11) Uani 1 1 d . . . . .
O6_8 O 0.94227(11) 0.13891(13) 0.93979(8) 0.0525(10) Uani 1 1 d . . . . .
H6A_8 H 0.9672 0.1427 0.9461 0.079 Uiso 1 1 calc R U . . .
C1_9 C 0.74816(14) 0.08868(15) 0.77884(9) 0.0266(11) Uani 1 1 d . . . . .
C2_9 C 0.78601(14) 0.10330(14) 0.79203(9) 0.0291(11) Uani 1 1 d . . . . .
H2_9 H 0.8125 0.0957 0.7833 0.035 Uiso 1 1 calc R U . . .
C3_9 C 0.78570(13) 0.12886(14) 0.81774(9) 0.0273(10) Uani 1 1 d . . . . .
C4_9 C 0.74663(13) 0.14065(15) 0.82990(10) 0.0293(11) Uani 1 1 d . . . . .
H4_9 H 0.7461 0.1584 0.8472 0.035 Uiso 1 1 calc R U . . .
C5_9 C 0.70845(14) 0.12692(14) 0.81719(10) 0.0283(10) Uani 1 1 d . . . . .
C6_9 C 0.70979(14) 0.10098(14) 0.79177(9) 0.0292(11) Uani 1 1 d . . . . .
H6_9 H 0.6838 0.0914 0.7830 0.035 Uiso 1 1 calc R U . . .
C7_9 C 0.74902(15) 0.06100(15) 0.75169(10) 0.0284(11) Uani 1 1 d . . . . .
C8_9 C 0.78232(15) 0.03213(16) 0.74632(10) 0.0339(11) Uani 1 1 d . . . . .
H8_9 H 0.8053 0.0305 0.7600 0.041 Uiso 1 1 calc R U . . .
C9_9 C 0.78302(15) 0.00555(16) 0.72139(10) 0.0368(12) Uani 1 1 d . . . . .
H9_9 H 0.8063 -0.0139 0.7180 0.044 Uiso 1 1 calc R U . . .
C10_9 C 0.74899(15) 0.00759(15) 0.70121(10) 0.0305(11) Uani 1 1 d . . . . .
C11_9 C 0.71557(15) 0.03619(14) 0.70626(10) 0.0336(11) Uani 1 1 d . . . . .
H11_9 H 0.6925 0.0378 0.6926 0.040 Uiso 1 1 calc R U . . .
C12_9 C 0.71581(15) 0.06248(16) 0.73128(10) 0.0335(11) Uani 1 1 d . . . . .
H12_9 H 0.6927 0.0821 0.7346 0.040 Uiso 1 1 calc R U . . .
C13_9 C 0.74970(17) -0.02030(17) 0.67425(11) 0.0374(12) Uani 1 1 d . . . . .
C14_9 C 0.82631(14) 0.14221(16) 0.83192(9) 0.0311(11) Uani 1 1 d . . . . .
C15_9 C 0.83164(14) 0.18387(15) 0.84514(10) 0.0336(11) Uani 1 1 d . . . . .
H15_9 H 0.8086 0.2043 0.8451 0.040 Uiso 1 1 calc R U . . .
C16_9 C 0.86986(14) 0.19590(16) 0.85820(10) 0.0348(12) Uani 1 1 d . . . . .
H16_9 H 0.8729 0.2244 0.8669 0.042 Uiso 1 1 calc R U . . .
C17_9 C 0.90365(14) 0.16636(16) 0.85861(10) 0.0358(12) Uani 1 1 d . . . . .
C18_9 C 0.89886(14) 0.12486(16) 0.84599(10) 0.0355(12) Uani 1 1 d . . . . .
H18_9 H 0.9219 0.1044 0.8464 0.043 Uiso 1 1 calc R U . . .
C19_9 C 0.86087(14) 0.11289(15) 0.83282(9) 0.0326(11) Uani 1 1 d . . . . .
H19_9 H 0.8581 0.0843 0.8242 0.039 Uiso 1 1 calc R U . . .
C20_9 C 0.94478(16) 0.17838(18) 0.87271(11) 0.0423(13) Uani 1 1 d . . . . .
C21_9 C 0.66699(14) 0.13924(16) 0.83052(9) 0.0305(11) Uani 1 1 d . . . . .
C22_9 C 0.63248(14) 0.11071(15) 0.83013(10) 0.0331(11) Uani 1 1 d . . . . .
H22_9 H 0.6352 0.0826 0.8208 0.040 Uiso 1 1 calc R U . . .
C23_9 C 0.59404(14) 0.12208(16) 0.84296(10) 0.0368(12) Uani 1 1 d . . . . .
H23_9 H 0.5709 0.1018 0.8425 0.044 Uiso 1 1 calc R U . . .
C24_9 C 0.58961(14) 0.16278(16) 0.85628(10) 0.0340(11) Uani 1 1 d . . . . .
C25_9 C 0.62331(13) 0.19288(16) 0.85655(10) 0.0340(11) Uani 1 1 d . . . . .
H25_9 H 0.6201 0.2213 0.8653 0.041 Uiso 1 1 calc R U . . .
C26_9 C 0.66188(14) 0.18053(15) 0.84366(9) 0.0309(11) Uani 1 1 d . . . . .
H26_9 H 0.6850 0.2008 0.8439 0.037 Uiso 1 1 calc R U . . .
C27_9 C 0.54891(15) 0.17482(18) 0.87090(11) 0.0405(13) Uani 1 1 d . . . . .
O1_9 O 0.77961(12) -0.04890(13) 0.67193(8) 0.0550(11) Uani 1 1 d . . . . .
H1A_9 H 0.7770 -0.0626 0.6559 0.082 Uiso 1 1 calc R U . . .
O2_9 O 0.72081(12) -0.01480(12) 0.65508(8) 0.0511(10) Uani 1 1 d . . . . .
O3_9 O 0.94729(10) 0.21776(12) 0.88401(8) 0.0528(10) Uani 1 1 d . . . . .
H3A_9 H 0.9715 0.2214 0.8915 0.079 Uiso 1 1 calc R U . . .
O4_9 O 0.97472(10) 0.15070(12) 0.87321(8) 0.0514(10) Uani 1 1 d . . . . .
O5_9 O 0.51906(10) 0.14731(12) 0.87165(8) 0.0494(9) Uani 1 1 d . . . . .
O6_9 O 0.54678(10) 0.21413(12) 0.88186(8) 0.0534(10) Uani 1 1 d . . . . .
H6A_9 H 0.5239 0.2170 0.8911 0.080 Uiso 1 1 calc R U . . .
C1_10 C 0.76458(14) 0.16565(15) 0.71338(9) 0.0266(10) Uani 1 1 d . . . . .
C2_10 C 0.80168(14) 0.17969(14) 0.72785(9) 0.0291(10) Uani 1 1 d . . . . .
H2_10 H 0.8285 0.1712 0.7201 0.035 Uiso 1 1 calc R U . . .
C3_10 C 0.80036(13) 0.20589(15) 0.75340(9) 0.0290(11) Uani 1 1 d . . . . .
C4_10 C 0.76078(14) 0.21834(15) 0.76428(10) 0.0314(11) Uani 1 1 d . . . . .
H4_10 H 0.7595 0.2365 0.7814 0.038 Uiso 1 1 calc R U . . .
C5_10 C 0.72280(14) 0.20464(14) 0.75061(9) 0.0287(10) Uani 1 1 d . . . . .
C6_10 C 0.72568(13) 0.17873(14) 0.72508(9) 0.0288(10) Uani 1 1 d . . . . .
H6_10 H 0.7002 0.1697 0.7154 0.035 Uiso 1 1 calc R U . . .
C7_10 C 0.76657(14) 0.13791(15) 0.68642(10) 0.0275(11) Uani 1 1 d . . . . .
C8_10 C 0.80077(14) 0.10985(15) 0.68106(10) 0.0317(11) Uani 1 1 d . . . . .
H8_10 H 0.8236 0.1086 0.6949 0.038 Uiso 1 1 calc R U . . .
C9_10 C 0.80228(15) 0.08350(15) 0.65589(10) 0.0347(11) Uani 1 1 d . . . . .
H9_10 H 0.8262 0.0649 0.6526 0.042 Uiso 1 1 calc R U . . .
C10_10 C 0.76917(15) 0.08427(16) 0.63572(10) 0.0294(11) Uani 1 1 d . . . . .
C11_10 C 0.73517(14) 0.11270(14) 0.64064(9) 0.0313(11) Uani 1 1 d . . . . .
H11_10 H 0.7125 0.1141 0.6267 0.038 Uiso 1 1 calc R U . . .
C12_10 C 0.73387(14) 0.13877(15) 0.66541(10) 0.0319(11) Uani 1 1 d . . . . .
H12_10 H 0.7102 0.1578 0.6683 0.038 Uiso 1 1 calc R U . . .
C13_10 C 0.76976(16) 0.05601(16) 0.60927(11) 0.0341(12) Uani 1 1 d . . . . .
C14_10 C 0.83950(14) 0.21979(16) 0.76859(10) 0.0347(12) Uani 1 1 d . . . . .
C15_10 C 0.84336(14) 0.26241(16) 0.78072(10) 0.0367(12) Uani 1 1 d . . . . .
H15_10 H 0.8203 0.2827 0.7791 0.044 Uiso 1 1 calc R U . . .
C16_10 C 0.88080(14) 0.27559(17) 0.79524(11) 0.0426(13) Uani 1 1 d . . . . .
H16_10 H 0.8829 0.3045 0.8034 0.051 Uiso 1 1 calc R U . . .
C17_10 C 0.91475(15) 0.24637(17) 0.79766(10) 0.0395(12) Uani 1 1 d . . . . .
C18_10 C 0.91146(14) 0.20367(17) 0.78558(10) 0.0393(12) Uani 1 1 d . . . . .
H18_10 H 0.9347 0.1836 0.7871 0.047 Uiso 1 1 calc R U . . .
C19_10 C 0.87438(14) 0.19097(16) 0.77144(10) 0.0352(11) Uani 1 1 d . . . . .
H19_10 H 0.8724 0.1619 0.7634 0.042 Uiso 1 1 calc R U . . .
C20_10 C 0.95475(15) 0.25761(19) 0.81340(11) 0.0437(13) Uani 1 1 d . . . . .
C21_10 C 0.68109(14) 0.21599(15) 0.76327(9) 0.0309(11) Uani 1 1 d . . . . .
C22_10 C 0.64706(13) 0.18606(16) 0.76213(9) 0.0324(11) Uani 1 1 d . . . . .
H22_10 H 0.6504 0.1583 0.7525 0.039 Uiso 1 1 calc R U . . .
C23_10 C 0.60817(14) 0.19689(16) 0.77509(10) 0.0369(12) Uani 1 1 d . . . . .
H23_10 H 0.5852 0.1765 0.7742 0.044 Uiso 1 1 calc R U . . .
C24_10 C 0.60305(14) 0.23721(17) 0.78927(10) 0.0365(12) Uani 1 1 d . . . . .
C25_10 C 0.63655(14) 0.26758(16) 0.79007(10) 0.0375(12) Uani 1 1 d . . . . .
H25_10 H 0.6330 0.2956 0.7994 0.045 Uiso 1 1 calc R U . . .
C26_10 C 0.67524(14) 0.25664(15) 0.77719(9) 0.0346(11) Uani 1 1 d . . . . .
H26_10 H 0.6981 0.2773 0.7779 0.042 Uiso 1 1 calc R U . . .
C27_10 C 0.56255(16) 0.24830(18) 0.80400(10) 0.0403(12) Uani 1 1 d . . . . .
O1_10 O 0.73960(12) 0.05892(12) 0.59065(8) 0.0466(10) Uani 1 1 d . . . . .
O2_10 O 0.80101(11) 0.02952(12) 0.60602(8) 0.0467(10) Uani 1 1 d . . . . .
H2A_10 H 0.8000 0.0183 0.5891 0.070 Uiso 1 1 calc R U . . .
O3_10 O 0.95704(11) 0.29866(13) 0.82283(9) 0.0649(11) Uani 1 1 d . . . . .
H3A_10 H 0.9803 0.3025 0.8318 0.097 Uiso 1 1 calc R U . . .
O4_10 O 0.98314(11) 0.23001(13) 0.81679(8) 0.0595(11) Uani 1 1 d . . . . .
O5_10 O 0.53364(10) 0.21876(12) 0.80430(7) 0.0483(9) Uani 1 1 d . . . . .
H5A_10 H 0.5117 0.2291 0.8122 0.072 Uiso 1 1 calc R U . . .
O6_10 O 0.55879(11) 0.28663(13) 0.81551(9) 0.0661(12) Uani 1 1 d . . . . .
C1_11 C 0.72408(14) 0.38052(13) 0.63298(9) 0.0279(10) Uani 1 1 d . . . . .
C2_11 C 0.76355(14) 0.36694(14) 0.64474(10) 0.0313(11) Uani 1 1 d . . . . .
H2_11 H 0.7891 0.3756 0.6353 0.038 Uiso 1 1 calc R U . . .
C3_11 C 0.76563(13) 0.34113(14) 0.66991(9) 0.0291(10) Uani 1 1 d . . . . .
C4_11 C 0.72847(13) 0.32708(14) 0.68337(9) 0.0322(10) Uani 1 1 d . . . . .
H4_11 H 0.7301 0.3088 0.7004 0.039 Uiso 1 1 calc R U . . .
C5_11 C 0.68872(13) 0.33952(14) 0.67222(9) 0.0304(10) Uani 1 1 d . . . . .
C6_11 C 0.68763(13) 0.36698(14) 0.64705(9) 0.0310(10) Uani 1 1 d . . . . .
H6_11 H 0.6608 0.3765 0.6395 0.037 Uiso 1 1 calc R U . . .
C7_11 C 0.72238(14) 0.40899(14) 0.60587(9) 0.0289(10) Uani 1 1 d . . . . .
C8_11 C 0.75612(14) 0.43662(14) 0.59875(9) 0.0313(10) Uani 1 1 d . . . . .
H8_11 H 0.7803 0.4380 0.6115 0.038 Uiso 1 1 calc R U . . .
C9_11 C 0.75508(14) 0.46203(15) 0.57363(10) 0.0330(11) Uani 1 1 d . . . . .
H9_11 H 0.7787 0.4804 0.5689 0.040 Uiso 1 1 calc R U . . .
C10_11 C 0.71955(15) 0.46115(14) 0.55489(10) 0.0306(11) Uani 1 1 d . . . . .
C11_11 C 0.68556(13) 0.43423(13) 0.56169(9) 0.0316(10) Uani 1 1 d . . . . .
H11_11 H 0.6613 0.4333 0.5491 0.038 Uiso 1 1 calc R U . . .
C12_11 C 0.68700(14) 0.40827(14) 0.58721(9) 0.0326(11) Uani 1 1 d . . . . .
H12_11 H 0.6635 0.3898 0.5919 0.039 Uiso 1 1 calc R U . . .
C13_11 C 0.71810(16) 0.48797(16) 0.52737(10) 0.0361(11) Uani 1 1 d . . . . .
C14_11 C 0.80849(14) 0.32857(15) 0.68232(9) 0.0316(11) Uani 1 1 d . . . . .
C15_11 C 0.81616(14) 0.28550(15) 0.69192(9) 0.0325(11) Uani 1 1 d . . . . .
H15_11 H 0.7941 0.2640 0.6912 0.039 Uiso 1 1 calc R U . . .
C16_11 C 0.85621(15) 0.27407(17) 0.70253(10) 0.0382(12) Uani 1 1 d . . . . .
H16_11 H 0.8618 0.2442 0.7081 0.046 Uiso 1 1 calc R U . . .
C17_11 C 0.88791(14) 0.30536(16) 0.70513(9) 0.0376(11) Uani 1 1 d . . . . .
C18_11 C 0.88006(14) 0.34895(16) 0.69619(10) 0.0419(12) Uani 1 1 d . . . . .
H18_11 H 0.9018 0.3708 0.6979 0.050 Uiso 1 1 calc R U . . .
C19_11 C 0.84038(13) 0.36027(16) 0.68481(10) 0.0381(11) Uani 1 1 d . . . . .
H19_11 H 0.8350 0.3899 0.6787 0.046 Uiso 1 1 calc R U . . .
C20_11 C 0.93013(15) 0.29211(18) 0.71702(10) 0.0421(13) Uani 1 1 d . . . . .
C21_11 C 0.64874(13) 0.32482(15) 0.68634(9) 0.0318(10) Uani 1 1 d . . . . .
C22_11 C 0.61414(14) 0.35376(16) 0.68782(10) 0.0443(12) Uani 1 1 d . . . . .
H22_11 H 0.6165 0.3831 0.6804 0.053 Uiso 1 1 calc R U . . .
C23_11 C 0.57599(14) 0.33942(16) 0.70024(10) 0.0462(13) Uani 1 1 d . . . . .
H23_11 H 0.5524 0.3591 0.7011 0.055 Uiso 1 1 calc R U . . .
C24_11 C 0.57236(14) 0.29668(16) 0.71135(10) 0.0389(12) Uani 1 1 d . . . . .
C25_11 C 0.60674(14) 0.26873(17) 0.70969(10) 0.0401(12) Uani 1 1 d . . . . .
H25_11 H 0.6045 0.2392 0.7169 0.048 Uiso 1 1 calc R U . . .
C26_11 C 0.64448(13) 0.28290(15) 0.69768(9) 0.0334(11) Uani 1 1 d . . . . .
H26_11 H 0.6681 0.2632 0.6972 0.040 Uiso 1 1 calc R U . . .
C27_11 C 0.53128(15) 0.28102(18) 0.72450(10) 0.0416(12) Uani 1 1 d . . . . .
O1_11 O 0.75153(11) 0.51360(11) 0.52366(7) 0.0509(9) Uani 1 1 d . . . . .
H1A_11 H 0.7482 0.5290 0.5084 0.076 Uiso 1 1 calc R U . . .
O2_11 O 0.68840(10) 0.48544(11) 0.50986(7) 0.0434(8) Uani 1 1 d . . . . .
O3_11 O 0.93687(10) 0.25155(11) 0.72192(8) 0.0510(9) Uani 1 1 d . . . . .
O4_11 O 0.95764(11) 0.32271(12) 0.72159(9) 0.0625(10) Uani 1 1 d . . . . .
H4A_11 H 0.9794 0.3117 0.7296 0.094 Uiso 1 1 calc R U . . .
O5_11 O 0.50194(11) 0.31032(12) 0.72588(9) 0.0679(11) Uani 1 1 d . . . . .
H5A_11 H 0.4810 0.2998 0.7349 0.102 Uiso 1 1 calc R U . . .
O6_11 O 0.52786(9) 0.24241(11) 0.73322(7) 0.0484(9) Uani 1 1 d . . . . .
C1_12 C 0.73806(15) 0.30824(16) 0.56438(10) 0.0303(12) Uani 1 1 d . . . . .
C2_12 C 0.77595(14) 0.29441(14) 0.57715(10) 0.0273(11) Uani 1 1 d . . . . .
H2_12 H 0.8020 0.3031 0.5684 0.033 Uiso 1 1 calc R U . . .
C3_12 C 0.77702(13) 0.26803(14) 0.60249(9) 0.0251(10) Uani 1 1 d . . . . .
C4_12 C 0.73887(14) 0.25536(15) 0.61485(10) 0.0288(11) Uani 1 1 d . . . . .
H4_12 H 0.7391 0.2371 0.6320 0.035 Uiso 1 1 calc R U . . .
C5_12 C 0.69979(14) 0.26886(14) 0.60266(10) 0.0274(11) Uani 1 1 d . . . . .
C6_12 C 0.70009(15) 0.29583(14) 0.57750(9) 0.0280(11) Uani 1 1 d . . . . .
H6_12 H 0.6739 0.3058 0.5693 0.034 Uiso 1 1 calc R U . . .
C7_12 C 0.73771(15) 0.33614(15) 0.53697(10) 0.0296(11) Uani 1 1 d . . . . .
C8_12 C 0.77104(15) 0.36547(15) 0.53124(10) 0.0313(11) Uani 1 1 d . . . . .
H8_12 H 0.7941 0.3678 0.5448 0.038 Uiso 1 1 calc R U . . .
C9_12 C 0.77078(15) 0.39127(15) 0.50585(10) 0.0308(11) Uani 1 1 d . . . . .
H9_12 H 0.7937 0.4109 0.5020 0.037 Uiso 1 1 calc R U . . .
C10_12 C 0.73673(17) 0.38832(16) 0.48586(11) 0.0334(12) Uani 1 1 d . . . . .
C11_12 C 0.70377(15) 0.35986(15) 0.49180(10) 0.0354(12) Uani 1 1 d . . . . .
H11_12 H 0.6805 0.3579 0.4783 0.042 Uiso 1 1 calc R U . . .
C12_12 C 0.70368(15) 0.33369(15) 0.51724(10) 0.0313(11) Uani 1 1 d . . . . .
H12_12 H 0.6805 0.3143 0.5211 0.038 Uiso 1 1 calc R U . . .
C13_12 C 0.73640(18) 0.41449(16) 0.45833(11) 0.0347(13) Uani 1 1 d . . . . .
C14_12 C 0.81857(14) 0.25418(16) 0.61592(9) 0.0291(11) Uani 1 1 d . . . . .
C15_12 C 0.82371(14) 0.21194(16) 0.62748(9) 0.0300(11) Uani 1 1 d . . . . .
H15_12 H 0.8006 0.1916 0.6270 0.036 Uiso 1 1 calc R U . . .
C16_12 C 0.86233(15) 0.19921(16) 0.63978(10) 0.0336(12) Uani 1 1 d . . . . .
H16_12 H 0.8657 0.1701 0.6476 0.040 Uiso 1 1 calc R U . . .
C17_12 C 0.89611(14) 0.22909(16) 0.64074(10) 0.0303(11) Uani 1 1 d . . . . .
C18_12 C 0.89090(15) 0.27198(16) 0.62932(10) 0.0356(12) Uani 1 1 d . . . . .
H18_12 H 0.9138 0.2926 0.6301 0.043 Uiso 1 1 calc R U . . .
C19_12 C 0.85228(14) 0.28429(16) 0.61683(10) 0.0322(11) Uani 1 1 d . . . . .
H19_12 H 0.8488 0.3133 0.6089 0.039 Uiso 1 1 calc R U . . .
C20_12 C 0.93802(16) 0.21599(18) 0.65348(11) 0.0392(13) Uani 1 1 d . . . . .
C21_12 C 0.65893(14) 0.25530(15) 0.61620(9) 0.0284(11) Uani 1 1 d . . . . .
C22_12 C 0.62362(14) 0.28362(16) 0.61593(10) 0.0320(11) Uani 1 1 d . . . . .
H22_12 H 0.6257 0.3121 0.6070 0.038 Uiso 1 1 calc R U . . .
C23_12 C 0.58562(14) 0.27033(15) 0.62857(10) 0.0317(11) Uani 1 1 d . . . . .
H23_12 H 0.5619 0.2899 0.6286 0.038 Uiso 1 1 calc R U . . .
C24_12 C 0.58224(15) 0.22812(16) 0.64126(10) 0.0338(12) Uani 1 1 d . . . . .
C25_12 C 0.61668(15) 0.19984(16) 0.64116(10) 0.0331(12) Uani 1 1 d . . . . .
H25_12 H 0.6145 0.1711 0.6497 0.040 Uiso 1 1 calc R U . . .
C26_12 C 0.65444(15) 0.21336(16) 0.62864(10) 0.0314(11) Uani 1 1 d . . . . .
H26_12 H 0.6780 0.1935 0.6285 0.038 Uiso 1 1 calc R U . . .
C27_12 C 0.54144(16) 0.21441(18) 0.65536(11) 0.0385(13) Uani 1 1 d . . . . .
O1_12 O 0.76715(12) 0.44250(13) 0.45537(8) 0.0512(10) Uani 1 1 d . . . . .
H1A_12 H 0.7650 0.4551 0.4389 0.077 Uiso 1 1 calc R U . . .
O2_12 O 0.70784(12) 0.40885(12) 0.43977(8) 0.0439(9) Uani 1 1 d . . . . .
O3_12 O 0.94029(11) 0.17581(12) 0.66337(9) 0.0523(10) Uani 1 1 d . . . . .
H3A_12 H 0.9647 0.1713 0.6704 0.078 Uiso 1 1 calc R U . . .
O4_12 O 0.96766(10) 0.24371(12) 0.65488(8) 0.0470(9) Uani 1 1 d . . . . .
O5_12 O 0.51143(10) 0.24258(12) 0.65635(8) 0.0468(9) Uani 1 1 d . . . . .
O6_12 O 0.53954(11) 0.17509(12) 0.66531(9) 0.0525(10) Uani 1 1 d . . . . .
H6A_12 H 0.5144 0.1693 0.6701 0.079 Uiso 1 1 calc R U . . .
C1_13 C 0.75679(15) 0.23202(15) 0.49955(10) 0.0278(11) Uani 1 1 d . . . . .
C2_13 C 0.79402(14) 0.21733(14) 0.51311(10) 0.0287(11) Uani 1 1 d . . . . .
H2_13 H 0.8206 0.2255 0.5049 0.034 Uiso 1 1 calc R U . . .
C3_13 C 0.79358(14) 0.19090(14) 0.53847(10) 0.0280(11) Uani 1 1 d . . . . .
C4_13 C 0.75448(14) 0.17921(15) 0.55009(10) 0.0281(11) Uani 1 1 d . . . . .
H4_13 H 0.7537 0.1613 0.5674 0.034 Uiso 1 1 calc R U . . .
C5_13 C 0.71646(14) 0.19277(14) 0.53734(9) 0.0273(11) Uani 1 1 d . . . . .
C6_13 C 0.71810(14) 0.21926(15) 0.51215(10) 0.0298(11) Uani 1 1 d . . . . .
H6_13 H 0.6922 0.2289 0.5033 0.036 Uiso 1 1 calc R U . . .
C7_13 C 0.75759(15) 0.25935(15) 0.47254(10) 0.0297(11) Uani 1 1 d . . . . .
C8_13 C 0.79162(15) 0.28875(15) 0.46668(10) 0.0308(11) Uani 1 1 d . . . . .
H8_13 H 0.8146 0.2909 0.4803 0.037 Uiso 1 1 calc R U . . .
C9_13 C 0.79195(16) 0.31429(15) 0.44152(10) 0.0343(12) Uani 1 1 d . . . . .
H9_13 H 0.8150 0.3340 0.4380 0.041 Uiso 1 1 calc R U . . .
C10_13 C 0.75868(16) 0.31123(16) 0.42136(10) 0.0308(12) Uani 1 1 d . . . . .
C11_13 C 0.72490(15) 0.28371(15) 0.42659(10) 0.0339(12) Uani 1 1 d . . . . .
H11_13 H 0.7020 0.2823 0.4128 0.041 Uiso 1 1 calc R U . . .
C12_13 C 0.72382(16) 0.25780(15) 0.45195(10) 0.0335(12) Uani 1 1 d . . . . .
H12_13 H 0.7002 0.2389 0.4554 0.040 Uiso 1 1 calc R U . . .
C13_13 C 0.75885(18) 0.33798(17) 0.39315(11) 0.0370(13) Uani 1 1 d . . . . .
C14_13 C 0.83410(14) 0.17620(16) 0.55279(9) 0.0295(11) Uani 1 1 d . . . . .
C15_13 C 0.83844(15) 0.13399(15) 0.56439(9) 0.0299(11) Uani 1 1 d . . . . .
H15_13 H 0.8152 0.1138 0.5632 0.036 Uiso 1 1 calc R U . . .
C16_13 C 0.87629(15) 0.12061(16) 0.57773(10) 0.0358(12) Uani 1 1 d . . . . .
H16_13 H 0.8789 0.0915 0.5856 0.043 Uiso 1 1 calc R U . . .
C17_13 C 0.91010(15) 0.14988(16) 0.57943(10) 0.0337(12) Uani 1 1 d . . . . .
C18_13 C 0.90615(15) 0.19236(16) 0.56801(10) 0.0359(12) Uani 1 1 d . . . . .
H18_13 H 0.9294 0.2124 0.5695 0.043 Uiso 1 1 calc R U . . .
C19_13 C 0.86882(14) 0.20573(16) 0.55459(9) 0.0321(11) Uani 1 1 d . . . . .
H19_13 H 0.8665 0.2348 0.5466 0.039 Uiso 1 1 calc R U . . .
C20_13 C 0.95081(17) 0.13707(18) 0.59399(11) 0.0414(13) Uani 1 1 d . . . . .
C21_13 C 0.67469(14) 0.17985(15) 0.55036(9) 0.0276(11) Uani 1 1 d . . . . .
C22_13 C 0.63912(14) 0.20778(16) 0.54846(10) 0.0321(11) Uani 1 1 d . . . . .
H22_13 H 0.6413 0.2357 0.5388 0.039 Uiso 1 1 calc R U . . .
C23_13 C 0.60107(14) 0.19504(16) 0.56051(10) 0.0317(11) Uani 1 1 d . . . . .
H23_13 H 0.5772 0.2143 0.5592 0.038 Uiso 1 1 calc R U . . .
C24_13 C 0.59710(15) 0.15420(17) 0.57468(10) 0.0339(12) Uani 1 1 d . . . . .
C25_13 C 0.63213(15) 0.12657(16) 0.57653(10) 0.0360(12) Uani 1 1 d . . . . .
H25_13 H 0.6297 0.0987 0.5862 0.043 Uiso 1 1 calc R U . . .
C26_13 C 0.67076(14) 0.13889(16) 0.56446(10) 0.0327(11) Uani 1 1 d . . . . .
H26_13 H 0.6945 0.1195 0.5658 0.039 Uiso 1 1 calc R U . . .
C27_13 C 0.55608(16) 0.14149(18) 0.58815(11) 0.0367(12) Uani 1 1 d . . . . .
O1_13 O 0.79007(12) 0.36505(12) 0.39061(8) 0.0510(10) Uani 1 1 d . . . . .
H1A_13 H 0.7887 0.3777 0.3741 0.076 Uiso 1 1 calc R U . . .
O2_13 O 0.73028(12) 0.33254(12) 0.37466(8) 0.0463(10) Uani 1 1 d . . . . .
O3_13 O 0.95328(11) 0.09642(12) 0.60320(8) 0.0504(10) Uani 1 1 d . . . . .
H3A_13 H 0.9771 0.0922 0.6113 0.076 Uiso 1 1 calc R U . . .
O4_13 O 0.98029(11) 0.16426(12) 0.59635(8) 0.0528(10) Uani 1 1 d . . . . .
O5_13 O 0.52554(10) 0.16814(11) 0.58842(8) 0.0451(9) Uani 1 1 d . . . . .
O6_13 O 0.55444(11) 0.10250(12) 0.59921(8) 0.0526(10) Uani 1 1 d . . . . .
H6A_13 H 0.5310 0.0989 0.6076 0.079 Uiso 1 1 calc R U . . .
C1_14 C 0.77306(14) 0.15780(14) 0.43123(9) 0.0287(11) Uani 1 1 d . . . . .
C2_14 C 0.73368(13) 0.14606(14) 0.44290(9) 0.0275(10) Uani 1 1 d . . . . .
H2_14 H 0.7084 0.1551 0.4330 0.033 Uiso 1 1 calc R U . . .
C3_14 C 0.73070(13) 0.12155(14) 0.46870(9) 0.0257(10) Uani 1 1 d . . . . .
C4_14 C 0.76783(14) 0.10790(14) 0.48278(9) 0.0305(10) Uani 1 1 d . . . . .
H4_14 H 0.7659 0.0908 0.5003 0.037 Uiso 1 1 calc R U . . .
C5_14 C 0.80748(14) 0.11852(14) 0.47187(9) 0.0284(11) Uani 1 1 d . . . . .
C6_14 C 0.80957(13) 0.14428(14) 0.44604(9) 0.0277(10) Uani 1 1 d . . . . .
H6_14 H 0.8366 0.1526 0.4386 0.033 Uiso 1 1 calc R U . . .
C7_14 C 0.77551(13) 0.18477(14) 0.40369(9) 0.0263(10) Uani 1 1 d . . . . .
C8_14 C 0.74278(14) 0.18319(15) 0.38294(9) 0.0325(11) Uani 1 1 d . . . . .
H8_14 H 0.7191 0.1642 0.3862 0.039 Uiso 1 1 calc R U . . .
C9_14 C 0.74398(14) 0.20888(14) 0.35739(9) 0.0328(11) Uani 1 1 d . . . . .
H9_14 H 0.7211 0.2077 0.3436 0.039 Uiso 1 1 calc R U . . .
C10_14 C 0.77866(15) 0.23615(14) 0.35223(9) 0.0287(11) Uani 1 1 d . . . . .
C11_14 C 0.81184(14) 0.23800(14) 0.37261(9) 0.0304(11) Uani 1 1 d . . . . .
H11_14 H 0.8356 0.2567 0.3691 0.036 Uiso 1 1 calc R U . . .
C12_14 C 0.81028(14) 0.21269(14) 0.39807(10) 0.0307(11) Uani 1 1 d . . . . .
H12_14 H 0.8331 0.2142 0.4119 0.037 Uiso 1 1 calc R U . . .
C13_14 C 0.77908(15) 0.26378(15) 0.32512(10) 0.0320(11) Uani 1 1 d . . . . .
C14_14 C 0.68827(13) 0.11023(14) 0.48141(9) 0.0287(10) Uani 1 1 d . . . . .
C15_14 C 0.68272(14) 0.07022(15) 0.49645(10) 0.0370(12) Uani 1 1 d . . . . .
H15_14 H 0.7060 0.0503 0.4983 0.044 Uiso 1 1 calc R U . . .
C16_14 C 0.64414(14) 0.05904(16) 0.50872(10) 0.0408(12) Uani 1 1 d . . . . .
H16_14 H 0.6408 0.0314 0.5185 0.049 Uiso 1 1 calc R U . . .
C17_14 C 0.61022(14) 0.08852(15) 0.50668(10) 0.0327(11) Uani 1 1 d . . . . .
C18_14 C 0.61472(14) 0.12798(15) 0.49202(9) 0.0304(11) Uani 1 1 d . . . . .
H18_14 H 0.5915 0.1481 0.4907 0.036 Uiso 1 1 calc R U . . .
C19_14 C 0.65328(13) 0.13845(15) 0.47919(9) 0.0298(10) Uani 1 1 d . . . . .
H19_14 H 0.6559 0.1655 0.4686 0.036 Uiso 1 1 calc R U . . .
C20_14 C 0.56919(15) 0.07615(18) 0.52057(10) 0.0405(12) Uani 1 1 d . . . . .
C21_14 C 0.84745(14) 0.10358(16) 0.48712(10) 0.0299(11) Uani 1 1 d . . . . .
C22_14 C 0.88179(13) 0.13278(16) 0.48990(9) 0.0335(11) Uani 1 1 d . . . . .
H22_14 H 0.8800 0.1620 0.4821 0.040 Uiso 1 1 calc R U . . .
C23_14 C 0.91876(15) 0.11856(16) 0.50426(10) 0.0361(12) Uani 1 1 d . . . . .
H23_14 H 0.9423 0.1382 0.5062 0.043 Uiso 1 1 calc R U . . .
C24_14 C 0.92150(14) 0.07654(17) 0.51559(10) 0.0370(12) Uani 1 1 d . . . . .
C25_14 C 0.88782(15) 0.04691(17) 0.51241(10) 0.0421(12) Uani 1 1 d . . . . .
H25_14 H 0.8903 0.0175 0.5198 0.051 Uiso 1 1 calc R U . . .
C26_14 C 0.85057(14) 0.06061(15) 0.49844(10) 0.0353(11) Uani 1 1 d . . . . .
H26_14 H 0.8272 0.0407 0.4966 0.042 Uiso 1 1 calc R U . . .
C27_14 C 0.96174(16) 0.06244(18) 0.53091(11) 0.0442(13) Uani 1 1 d . . . . .
O1_14 O 0.74913(11) 0.26084(11) 0.30700(7) 0.0442(9) Uani 1 1 d . . . . .
O2_14 O 0.81126(10) 0.28984(11) 0.32158(7) 0.0413(8) Uani 1 1 d . . . . .
H2A_14 H 0.8079 0.3047 0.3061 0.062 Uiso 1 1 calc R U . . .
O3_14 O 0.56470(11) 0.03813(13) 0.53113(9) 0.0688(12) Uani 1 1 d . . . . .
O4_14 O 0.53998(10) 0.10600(11) 0.52138(7) 0.0424(8) Uani 1 1 d . . . . .
H4A_14 H 0.5187 0.0960 0.5303 0.064 Uiso 1 1 calc R U . . .
O5_14 O 0.98977(10) 0.09081(12) 0.53586(7) 0.0525(10) Uani 1 1 d . . . . .
O6_14 O 0.96476(11) 0.02147(12) 0.53828(9) 0.0645(11) Uani 1 1 d . . . . .
H6A_14 H 0.9888 0.0168 0.5458 0.097 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1_1 C6_1 1.395(6) . ?
C1_1 C2_1 1.399(6) . ?
C1_1 C7_1 1.495(6) . ?
C2_1 C3_1 1.390(6) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.393(6) . ?
C3_1 C14_1 1.491(6) . ?
C4_1 C5_1 1.389(6) . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.379(6) . ?
C5_1 C21_1 1.502(6) . ?
C6_1 H6_1 0.9500 . ?
C7_1 C12_1 1.375(6) . ?
C7_1 C8_1 1.403(6) . ?
C8_1 C9_1 1.367(6) . ?
C8_1 H8_1 0.9500 . ?
C9_1 C10_1 1.400(6) . ?
C9_1 H9_1 0.9500 . ?
C10_1 C11_1 1.377(6) . ?
C10_1 C13_1 1.486(6) . ?
C11_1 C12_1 1.392(6) . ?
C11_1 H11_1 0.9500 . ?
C12_1 H12_1 0.9500 . ?
C13_1 O1_1 1.266(6) . ?
C13_1 O2_1 1.267(6) . ?
C14_1 C19_1 1.376(7) . ?
C14_1 C15_1 1.410(6) . ?
C15_1 C16_1 1.384(6) . ?
C15_1 H15_1 0.9500 . ?
C16_1 C17_1 1.383(7) . ?
C16_1 H16_1 0.9500 . ?
C17_1 C18_1 1.378(6) . ?
C17_1 C20_1 1.484(7) . ?
C18_1 C19_1 1.396(6) . ?
C18_1 H18_1 0.9500 . ?
C19_1 H19_1 0.9500 . ?
C20_1 O4_1 1.207(6) . ?
C20_1 O3_1 1.335(6) . ?
C21_1 C26_1 1.394(6) . ?
C21_1 C22_1 1.399(6) . ?
C22_1 C23_1 1.393(6) . ?
C22_1 H22_1 0.9500 . ?
C23_1 C24_1 1.376(7) . ?
C23_1 H23_1 0.9500 . ?
C24_1 C25_1 1.374(7) . ?
C24_1 C27_1 1.496(7) . ?
C25_1 C26_1 1.391(6) . ?
C25_1 H25_1 0.9500 . ?
C26_1 H26_1 0.9500 . ?
C27_1 O6_1 1.240(6) . ?
C27_1 O5_1 1.287(6) . ?
O2_1 H2A_1 0.8400 . ?
O3_1 H3A_1 0.8400 . ?
O5_1 H5A_1 0.8400 . ?
C1_2 C2_2 1.380(6) . ?
C1_2 C6_2 1.396(6) . ?
C1_2 C7_2 1.494(6) . ?
C2_2 C3_2 1.402(6) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.404(6) . ?
C3_2 C14_2 1.474(6) . ?
C4_2 C5_2 1.386(6) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.394(6) . ?
C5_2 C21_2 1.493(6) . ?
C6_2 H6_2 0.9500 . ?
C7_2 C8_2 1.393(7) . ?
C7_2 C12_2 1.405(6) . ?
C8_2 C9_2 1.384(6) . ?
C8_2 H8_2 0.9500 . ?
C9_2 C10_2 1.383(6) . ?
C9_2 H9_2 0.9500 . ?
C10_2 C11_2 1.372(6) . ?
C10_2 C13_2 1.482(7) . ?
C11_2 C12_2 1.390(6) . ?
C11_2 H11_2 0.9500 . ?
C12_2 H12_2 0.9500 . ?
C13_2 O1_2 1.241(7) . ?
C13_2 O2_2 1.290(7) . ?
C14_2 C15_2 1.405(6) . ?
C14_2 C19_2 1.406(6) . ?
C15_2 C16_2 1.390(6) . ?
C15_2 H15_2 0.9500 . ?
C16_2 C17_2 1.389(6) . ?
C16_2 H16_2 0.9500 . ?
C17_2 C18_2 1.390(6) . ?
C17_2 C20_2 1.484(6) . ?
C18_2 C19_2 1.376(6) . ?
C18_2 H18_2 0.9500 . ?
C19_2 H19_2 0.9500 . ?
C20_2 O4_2 1.242(5) . ?
C20_2 O3_2 1.287(6) . ?
C21_2 C26_2 1.391(6) . ?
C21_2 C22_2 1.400(6) . ?
C22_2 C23_2 1.395(6) . ?
C22_2 H22_2 0.9500 . ?
C23_2 C24_2 1.389(6) . ?
C23_2 H23_2 0.9500 . ?
C24_2 C25_2 1.397(6) . ?
C24_2 C27_2 1.473(6) . ?
C25_2 C26_2 1.392(6) . ?
C25_2 H25_2 0.9500 . ?
C26_2 H26_2 0.9500 . ?
C27_2 O5_2 1.244(5) . ?
C27_2 O6_2 1.288(6) . ?
O2_2 H2A_2 0.8400 . ?
O3_2 H3A_2 0.8400 . ?
O6_2 H6A_2 0.8400 . ?
C1_3 C2_3 1.378(6) . ?
C1_3 C6_3 1.397(6) . ?
C1_3 C7_3 1.502(6) . ?
C2_3 C3_3 1.408(6) . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.399(6) . ?
C3_3 C14_3 1.476(6) . ?
C4_3 C5_3 1.387(6) . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.382(6) . ?
C5_3 C21_3 1.497(6) . ?
C6_3 H6_3 0.9500 . ?
C7_3 C8_3 1.383(7) . ?
C7_3 C12_3 1.407(6) . ?
C8_3 C9_3 1.376(6) . ?
C8_3 H8_3 0.9500 . ?
C9_3 C10_3 1.389(6) . ?
C9_3 H9_3 0.9500 . ?
C10_3 C11_3 1.392(6) . ?
C10_3 C13_3 1.467(7) . ?
C11_3 C12_3 1.368(6) . ?
C11_3 H11_3 0.9500 . ?
C12_3 H12_3 0.9500 . ?
C13_3 O1_3 1.231(6) . ?
C13_3 O2_3 1.307(6) . ?
C14_3 C15_3 1.391(6) . ?
C14_3 C19_3 1.405(6) . ?
C15_3 C16_3 1.389(6) . ?
C15_3 H15_3 0.9500 . ?
C16_3 C17_3 1.388(6) . ?
C16_3 H16_3 0.9500 . ?
C17_3 C18_3 1.383(7) . ?
C17_3 C20_3 1.495(6) . ?
C18_3 C19_3 1.391(6) . ?
C18_3 H18_3 0.9500 . ?
C19_3 H19_3 0.9500 . ?
C20_3 O3_3 1.261(6) . ?
C20_3 O4_3 1.264(6) . ?
C21_3 C26_3 1.387(6) . ?
C21_3 C22_3 1.394(6) . ?
C22_3 C23_3 1.373(6) . ?
C22_3 H22_3 0.9500 . ?
C23_3 C24_3 1.381(6) . ?
C23_3 H23_3 0.9500 . ?
C24_3 C25_3 1.401(6) . ?
C24_3 C27_3 1.491(6) . ?
C25_3 C26_3 1.387(6) . ?
C25_3 H25_3 0.9500 . ?
C26_3 H26_3 0.9500 . ?
C27_3 O5_3 1.235(6) . ?
C27_3 O6_3 1.291(6) . ?
O2_3 H2A_3 0.8400 . ?
O4_3 H4A_3 0.8400 . ?
O6_3 H6A_3 0.8400 . ?
C1_4 C2_4 1.390(6) . ?
C1_4 C6_4 1.403(6) . ?
C1_4 C7_4 1.488(6) . ?
C2_4 C3_4 1.402(6) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.397(6) . ?
C3_4 C14_4 1.474(6) . ?
C4_4 C5_4 1.392(6) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.392(6) . ?
C5_4 C21_4 1.500(6) . ?
C6_4 H6_4 0.9500 . ?
C7_4 C8_4 1.388(6) . ?
C7_4 C12_4 1.407(6) . ?
C8_4 C9_4 1.401(6) . ?
C8_4 H8_4 0.9500 . ?
C9_4 C10_4 1.381(6) . ?
C9_4 H9_4 0.9500 . ?
C10_4 C11_4 1.378(6) . ?
C10_4 C13_4 1.489(6) . ?
C11_4 C12_4 1.386(6) . ?
C11_4 H11_4 0.9500 . ?
C12_4 H12_4 0.9500 . ?
C13_4 O2_4 1.266(6) . ?
C13_4 O1_4 1.279(5) . ?
C14_4 C19_4 1.394(6) . ?
C14_4 C15_4 1.397(6) . ?
C15_4 C16_4 1.381(6) . ?
C15_4 H15_4 0.9500 . ?
C16_4 C17_4 1.388(6) . ?
C16_4 H16_4 0.9500 . ?
C17_4 C18_4 1.378(6) . ?
C17_4 C20_4 1.478(6) . ?
C18_4 C19_4 1.398(6) . ?
C18_4 H18_4 0.9500 . ?
C19_4 H19_4 0.9500 . ?
C20_4 O3_4 1.277(6) . ?
C20_4 O4_4 1.278(6) . ?
C21_4 C22_4 1.389(6) . ?
C21_4 C26_4 1.390(6) . ?
C22_4 C23_4 1.378(6) . ?
C22_4 H22_4 0.9500 . ?
C23_4 C24_4 1.386(6) . ?
C23_4 H23_4 0.9500 . ?
C24_4 C25_4 1.396(6) . ?
C24_4 C27_4 1.475(6) . ?
C25_4 C26_4 1.380(6) . ?
C25_4 H25_4 0.9500 . ?
C26_4 H26_4 0.9500 . ?
C27_4 O5_4 1.258(6) . ?
C27_4 O6_4 1.287(5) . ?
O1_4 H1A_4 0.8400 . ?
O3_4 H3A_4 0.8400 . ?
O6_4 H6A_4 0.8400 . ?
C1_5 C2_5 1.400(6) . ?
C1_5 C6_5 1.400(6) . ?
C1_5 C7_5 1.475(6) . ?
C2_5 C3_5 1.408(6) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.391(6) . ?
C3_5 C14_5 1.473(6) . ?
C4_5 C5_5 1.396(6) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.391(6) . ?
C5_5 C21_5 1.493(6) . ?
C6_5 H6_5 0.9500 . ?
C7_5 C12_5 1.394(7) . ?
C7_5 C8_5 1.395(6) . ?
C8_5 C9_5 1.373(6) . ?
C8_5 H8_5 0.9500 . ?
C9_5 C10_5 1.398(6) . ?
C9_5 H9_5 0.9500 . ?
C10_5 C11_5 1.392(6) . ?
C10_5 C13_5 1.485(7) . ?
C11_5 C12_5 1.387(6) . ?
C11_5 H11_5 0.9500 . ?
C12_5 H12_5 0.9500 . ?
C13_5 O2_5 1.271(6) . ?
C13_5 O1_5 1.276(6) . ?
C14_5 C15_5 1.392(6) . ?
C14_5 C19_5 1.403(6) . ?
C15_5 C16_5 1.384(6) . ?
C15_5 H15_5 0.9500 . ?
C16_5 C17_5 1.372(6) . ?
C16_5 H16_5 0.9500 . ?
C17_5 C18_5 1.382(6) . ?
C17_5 C20_5 1.485(7) . ?
C18_5 C19_5 1.390(6) . ?
C18_5 H18_5 0.9500 . ?
C19_5 H19_5 0.9500 . ?
C20_5 O4_5 1.239(5) . ?
C20_5 O3_5 1.303(6) . ?
C21_5 C26_5 1.381(6) . ?
C21_5 C22_5 1.391(6) . ?
C22_5 C23_5 1.381(6) . ?
C22_5 H22_5 0.9500 . ?
C23_5 C24_5 1.385(6) . ?
C23_5 H23_5 0.9500 . ?
C24_5 C25_5 1.388(6) . ?
C24_5 C27_5 1.462(6) . ?
C25_5 C26_5 1.384(6) . ?
C25_5 H25_5 0.9500 . ?
C26_5 H26_5 0.9500 . ?
C27_5 O5_5 1.252(6) . ?
C27_5 O6_5 1.286(6) . ?
O1_5 H1A_5 0.8400 . ?
O3_5 H3A_5 0.8400 . ?
O6_5 H6A_5 0.8400 . ?
C1_6 C6_6 1.382(6) . ?
C1_6 C2_6 1.402(6) . ?
C1_6 C7_6 1.494(6) . ?
C2_6 C3_6 1.386(6) . ?
C2_6 H2_6 0.9500 . ?
C3_6 C4_6 1.401(6) . ?
C3_6 C14_6 1.483(6) . ?
C4_6 C5_6 1.395(6) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.405(6) . ?
C5_6 C21_6 1.480(6) . ?
C6_6 H6_6 0.9500 . ?
C7_6 C12_6 1.383(6) . ?
C7_6 C8_6 1.398(6) . ?
C8_6 C9_6 1.372(6) . ?
C8_6 H8_6 0.9500 . ?
C9_6 C10_6 1.396(6) . ?
C9_6 H9_6 0.9500 . ?
C10_6 C11_6 1.386(6) . ?
C10_6 C13_6 1.483(7) . ?
C11_6 C12_6 1.395(6) . ?
C11_6 H11_6 0.9500 . ?
C12_6 H12_6 0.9500 . ?
C13_6 O1_6 1.259(6) . ?
C13_6 O2_6 1.287(6) . ?
C14_6 C15_6 1.387(6) . ?
C14_6 C19_6 1.388(6) . ?
C15_6 C16_6 1.386(6) . ?
C15_6 H15_6 0.9500 . ?
C16_6 C17_6 1.396(6) . ?
C16_6 H16_6 0.9500 . ?
C17_6 C18_6 1.369(6) . ?
C17_6 C20_6 1.487(6) . ?
C18_6 C19_6 1.395(6) . ?
C18_6 H18_6 0.9500 . ?
C19_6 H19_6 0.9500 . ?
C20_6 O4_6 1.262(5) . ?
C20_6 O3_6 1.293(6) . ?
C21_6 C22_6 1.380(6) . ?
C21_6 C26_6 1.398(6) . ?
C22_6 C23_6 1.374(6) . ?
C22_6 H22_6 0.9500 . ?
C23_6 C24_6 1.384(6) . ?
C23_6 H23_6 0.9500 . ?
C24_6 C25_6 1.385(6) . ?
C24_6 C27_6 1.493(7) . ?
C25_6 C26_6 1.387(6) . ?
C25_6 H25_6 0.9500 . ?
C26_6 H26_6 0.9500 . ?
C27_6 O5_6 1.250(6) . ?
C27_6 O6_6 1.302(6) . ?
O2_6 H2A_6 0.8400 . ?
O3_6 H3A_6 0.8400 . ?
O6_6 H6A_6 0.8400 . ?
C1_7 C6_7 1.391(6) . ?
C1_7 C2_7 1.413(5) . ?
C1_7 C7_7 1.487(6) . ?
C2_7 C3_7 1.395(5) . ?
C2_7 H2_7 0.9500 . ?
C3_7 C4_7 1.395(6) . ?
C3_7 C14_7 1.477(5) . ?
C4_7 C5_7 1.389(6) . ?
C4_7 H4_7 0.9500 . ?
C5_7 C6_7 1.390(6) . ?
C5_7 C21_7 1.478(6) . ?
C6_7 H6_7 0.9500 . ?
C7_7 C8_7 1.390(6) . ?
C7_7 C12_7 1.393(5) . ?
C8_7 C9_7 1.373(6) . ?
C8_7 H8_7 0.9500 . ?
C9_7 C10_7 1.398(6) . ?
C9_7 H9_7 0.9500 . ?
C10_7 C11_7 1.390(6) . ?
C10_7 C13_7 1.475(6) . ?
C11_7 C12_7 1.386(6) . ?
C11_7 H11_7 0.9500 . ?
C12_7 H12_7 0.9500 . ?
C13_7 O1_7 1.234(5) . ?
C13_7 O2_7 1.300(5) . ?
C14_7 C15_7 1.381(6) . ?
C14_7 C19_7 1.404(6) . ?
C15_7 C16_7 1.387(5) . ?
C15_7 H15_7 0.9500 . ?
C16_7 C17_7 1.386(6) . ?
C16_7 H16_7 0.9500 . ?
C17_7 C18_7 1.385(6) . ?
C17_7 C20_7 1.484(6) . ?
C18_7 C19_7 1.389(6) . ?
C18_7 H18_7 0.9500 . ?
C19_7 H19_7 0.9500 . ?
C20_7 O3_7 1.258(5) . ?
C20_7 O4_7 1.284(5) . ?
C21_7 C22_7 1.394(6) . ?
C21_7 C26_7 1.395(6) . ?
C22_7 C23_7 1.383(6) . ?
C22_7 H22_7 0.9500 . ?
C23_7 C24_7 1.387(6) . ?
C23_7 H23_7 0.9500 . ?
C24_7 C25_7 1.386(6) . ?
C24_7 C27_7 1.483(6) . ?
C25_7 C26_7 1.384(6) . ?
C25_7 H25_7 0.9500 . ?
C26_7 H26_7 0.9500 . ?
C27_7 O6_7 1.267(6) . ?
C27_7 O5_7 1.280(5) . ?
O2_7 H2A_7 0.8400 . ?
O4_7 H4A_7 0.8400 . ?
O5_7 H5A_7 0.8400 . ?
C1_8 C6_8 1.395(6) . ?
C1_8 C2_8 1.396(6) . ?
C1_8 C7_8 1.481(6) . ?
C2_8 C3_8 1.388(6) . ?
C2_8 H2_8 0.9500 . ?
C3_8 C4_8 1.390(6) . ?
C3_8 C14_8 1.485(6) . ?
C4_8 C5_8 1.404(6) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.391(6) . ?
C5_8 C21_8 1.483(6) . ?
C6_8 H6_8 0.9500 . ?
C7_8 C12_8 1.395(6) . ?
C7_8 C8_8 1.401(6) . ?
C8_8 C9_8 1.383(6) . ?
C8_8 H8_8 0.9500 . ?
C9_8 C10_8 1.381(6) . ?
C9_8 H9_8 0.9500 . ?
C10_8 C11_8 1.383(7) . ?
C10_8 C13_8 1.487(7) . ?
C11_8 C12_8 1.388(7) . ?
C11_8 H11_8 0.9500 . ?
C12_8 H12_8 0.9500 . ?
C13_8 O1_8 1.250(6) . ?
C13_8 O2_8 1.291(6) . ?
C14_8 C19_8 1.396(6) . ?
C14_8 C15_8 1.396(6) . ?
C15_8 C16_8 1.395(6) . ?
C15_8 H15_8 0.9500 . ?
C16_8 C17_8 1.398(7) . ?
C16_8 H16_8 0.9500 . ?
C17_8 C18_8 1.379(7) . ?
C17_8 C20_8 1.477(7) . ?
C18_8 C19_8 1.377(6) . ?
C18_8 H18_8 0.9500 . ?
C19_8 H19_8 0.9500 . ?
C20_8 O4_8 1.251(6) . ?
C20_8 O3_8 1.297(6) . ?
C21_8 C26_8 1.392(6) . ?
C21_8 C22_8 1.392(6) . ?
C22_8 C23_8 1.388(6) . ?
C22_8 H22_8 0.9500 . ?
C23_8 C24_8 1.372(6) . ?
C23_8 H23_8 0.9500 . ?
C24_8 C25_8 1.386(7) . ?
C24_8 C27_8 1.475(7) . ?
C25_8 C26_8 1.393(7) . ?
C25_8 H25_8 0.9500 . ?
C26_8 H26_8 0.9500 . ?
C27_8 O5_8 1.249(6) . ?
C27_8 O6_8 1.286(6) . ?
O2_8 H2A_8 0.8400 . ?
O3_8 H3A_8 0.8400 . ?
O6_8 H6A_8 0.8400 . ?
C1_9 C6_9 1.394(6) . ?
C1_9 C2_9 1.398(6) . ?
C1_9 C7_9 1.486(6) . ?
C2_9 C3_9 1.396(6) . ?
C2_9 H2_9 0.9500 . ?
C3_9 C4_9 1.395(6) . ?
C3_9 C14_9 1.480(6) . ?
C4_9 C5_9 1.390(6) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C6_9 1.393(6) . ?
C5_9 C21_9 1.487(6) . ?
C6_9 H6_9 0.9500 . ?
C7_9 C8_9 1.383(6) . ?
C7_9 C12_9 1.390(6) . ?
C8_9 C9_9 1.385(6) . ?
C8_9 H8_9 0.9500 . ?
C9_9 C10_9 1.403(6) . ?
C9_9 H9_9 0.9500 . ?
C10_9 C11_9 1.378(6) . ?
C10_9 C13_9 1.483(6) . ?
C11_9 C12_9 1.383(6) . ?
C11_9 H11_9 0.9500 . ?
C12_9 H12_9 0.9500 . ?
C13_9 O2_9 1.263(6) . ?
C13_9 O1_9 1.280(6) . ?
C14_9 C15_9 1.400(6) . ?
C14_9 C19_9 1.400(6) . ?
C15_9 C16_9 1.383(6) . ?
C15_9 H15_9 0.9500 . ?
C16_9 C17_9 1.385(6) . ?
C16_9 H16_9 0.9500 . ?
C17_9 C18_9 1.382(6) . ?
C17_9 C20_9 1.483(6) . ?
C18_9 C19_9 1.379(6) . ?
C18_9 H18_9 0.9500 . ?
C19_9 H19_9 0.9500 . ?
C20_9 O4_9 1.257(5) . ?
C20_9 O3_9 1.294(6) . ?
C21_9 C22_9 1.383(6) . ?
C21_9 C26_9 1.389(6) . ?
C22_9 C23_9 1.387(6) . ?
C22_9 H22_9 0.9500 . ?
C23_9 C24_9 1.374(6) . ?
C23_9 H23_9 0.9500 . ?
C24_9 C25_9 1.394(6) . ?
C24_9 C27_9 1.489(6) . ?
C25_9 C26_9 1.399(6) . ?
C25_9 H25_9 0.9500 . ?
C26_9 H26_9 0.9500 . ?
C27_9 O5_9 1.252(6) . ?
C27_9 O6_9 1.286(6) . ?
O1_9 H1A_9 0.8400 . ?
O3_9 H3A_9 0.8400 . ?
O6_9 H6A_9 0.8400 . ?
C1_10 C6_10 1.393(6) . ?
C1_10 C2_10 1.399(6) . ?
C1_10 C7_10 1.482(6) . ?
C2_10 C3_10 1.402(6) . ?
C2_10 H2_10 0.9500 . ?
C3_10 C4_10 1.393(6) . ?
C3_10 C14_10 1.466(6) . ?
C4_10 C5_10 1.403(6) . ?
C4_10 H4_10 0.9500 . ?
C5_10 C6_10 1.399(6) . ?
C5_10 C21_10 1.475(6) . ?
C6_10 H6_10 0.9500 . ?
C7_10 C8_10 1.390(6) . ?
C7_10 C12_10 1.396(6) . ?
C8_10 C9_10 1.391(6) . ?
C8_10 H8_10 0.9500 . ?
C9_10 C10_10 1.380(6) . ?
C9_10 H9_10 0.9500 . ?
C10_10 C11_10 1.388(6) . ?
C10_10 C13_10 1.470(6) . ?
C11_10 C12_10 1.371(6) . ?
C11_10 H11_10 0.9500 . ?
C12_10 H12_10 0.9500 . ?
C13_10 O1_10 1.267(6) . ?
C13_10 O2_10 1.274(5) . ?
C14_10 C15_10 1.401(6) . ?
C14_10 C19_10 1.403(6) . ?
C15_10 C16_10 1.401(6) . ?
C15_10 H15_10 0.9500 . ?
C16_10 C17_10 1.386(6) . ?
C16_10 H16_10 0.9500 . ?
C17_10 C18_10 1.401(7) . ?
C17_10 C20_10 1.480(6) . ?
C18_10 C19_10 1.380(6) . ?
C18_10 H18_10 0.9500 . ?
C19_10 H19_10 0.9500 . ?
C20_10 O4_10 1.228(6) . ?
C20_10 O3_10 1.310(6) . ?
C21_10 C26_10 1.390(6) . ?
C21_10 C22_10 1.399(6) . ?
C22_10 C23_10 1.398(6) . ?
C22_10 H22_10 0.9500 . ?
C23_10 C24_10 1.384(6) . ?
C23_10 H23_10 0.9500 . ?
C24_10 C25_10 1.395(6) . ?
C24_10 C27_10 1.480(6) . ?
C25_10 C26_10 1.392(6) . ?
C25_10 H25_10 0.9500 . ?
C26_10 H26_10 0.9500 . ?
C27_10 O5_10 1.271(5) . ?
C27_10 O6_10 1.273(6) . ?
O2_10 H2A_10 0.8400 . ?
O3_10 H3A_10 0.8400 . ?
O5_10 H5A_10 0.8400 . ?
C1_11 C6_11 1.377(5) . ?
C1_11 C2_11 1.407(6) . ?
C1_11 C7_11 1.499(6) . ?
C2_11 C3_11 1.381(6) . ?
C2_11 H2_11 0.9500 . ?
C3_11 C4_11 1.387(5) . ?
C3_11 C14_11 1.504(6) . ?
C4_11 C5_11 1.395(6) . ?
C4_11 H4_11 0.9500 . ?
C5_11 C6_11 1.409(6) . ?
C5_11 C21_11 1.481(5) . ?
C6_11 H6_11 0.9500 . ?
C7_11 C8_11 1.387(5) . ?
C7_11 C12_11 1.392(6) . ?
C8_11 C9_11 1.372(6) . ?
C8_11 H8_11 0.9500 . ?
C9_11 C10_11 1.398(6) . ?
C9_11 H9_11 0.9500 . ?
C10_11 C11_11 1.377(6) . ?
C10_11 C13_11 1.486(6) . ?
C11_11 C12_11 1.397(6) . ?
C11_11 H11_11 0.9500 . ?
C12_11 H12_11 0.9500 . ?
C13_11 O2_11 1.223(5) . ?
C13_11 O1_11 1.315(5) . ?
C14_11 C19_11 1.388(6) . ?
C14_11 C15_11 1.389(6) . ?
C15_11 C16_11 1.387(6) . ?
C15_11 H15_11 0.9500 . ?
C16_11 C17_11 1.376(6) . ?
C16_11 H16_11 0.9500 . ?
C17_11 C18_11 1.395(6) . ?
C17_11 C20_11 1.483(6) . ?
C18_11 C19_11 1.388(6) . ?
C18_11 H18_11 0.9500 . ?
C19_11 H19_11 0.9500 . ?
C20_11 O3_11 1.259(5) . ?
C20_11 O4_11 1.279(5) . ?
C21_11 C26_11 1.370(6) . ?
C21_11 C22_11 1.395(6) . ?
C22_11 C23_11 1.396(6) . ?
C22_11 H22_11 0.9500 . ?
C23_11 C24_11 1.387(6) . ?
C23_11 H23_11 0.9500 . ?
C24_11 C25_11 1.372(6) . ?
C24_11 C27_11 1.502(6) . ?
C25_11 C26_11 1.376(6) . ?
C25_11 H25_11 0.9500 . ?
C26_11 H26_11 0.9500 . ?
C27_11 O6_11 1.233(5) . ?
C27_11 O5_11 1.278(5) . ?
O1_11 H1A_11 0.8400 . ?
O4_11 H4A_11 0.8400 . ?
O5_11 H5A_11 0.8400 . ?
C1_12 C2_12 1.384(6) . ?
C1_12 C6_12 1.388(6) . ?
C1_12 C7_12 1.500(6) . ?
C2_12 C3_12 1.397(6) . ?
C2_12 H2_12 0.9500 . ?
C3_12 C4_12 1.380(6) . ?
C3_12 C14_12 1.496(6) . ?
C4_12 C5_12 1.403(6) . ?
C4_12 H4_12 0.9500 . ?
C5_12 C6_12 1.400(6) . ?
C5_12 C21_12 1.484(6) . ?
C6_12 H6_12 0.9500 . ?
C7_12 C12_12 1.391(6) . ?
C7_12 C8_12 1.396(6) . ?
C8_12 C9_12 1.388(6) . ?
C8_12 H8_12 0.9500 . ?
C9_12 C10_12 1.400(7) . ?
C9_12 H9_12 0.9500 . ?
C10_12 C11_12 1.372(6) . ?
C10_12 C13_12 1.476(7) . ?
C11_12 C12_12 1.397(6) . ?
C11_12 H11_12 0.9500 . ?
C12_12 H12_12 0.9500 . ?
C13_12 O2_12 1.237(6) . ?
C13_12 O1_12 1.290(6) . ?
C14_12 C15_12 1.385(6) . ?
C14_12 C19_12 1.395(6) . ?
C15_12 C16_12 1.386(6) . ?
C15_12 H15_12 0.9500 . ?
C16_12 C17_12 1.392(6) . ?
C16_12 H16_12 0.9500 . ?
C17_12 C18_12 1.401(6) . ?
C17_12 C20_12 1.487(6) . ?
C18_12 C19_12 1.386(6) . ?
C18_12 H18_12 0.9500 . ?
C19_12 H19_12 0.9500 . ?
C20_12 O4_12 1.252(6) . ?
C20_12 O3_12 1.292(6) . ?
C21_12 C26_12 1.391(6) . ?
C21_12 C22_12 1.399(6) . ?
C22_12 C23_12 1.387(6) . ?
C22_12 H22_12 0.9500 . ?
C23_12 C24_12 1.400(6) . ?
C23_12 H23_12 0.9500 . ?
C24_12 C25_12 1.377(6) . ?
C24_12 C27_12 1.495(6) . ?
C25_12 C26_12 1.380(6) . ?
C25_12 H25_12 0.9500 . ?
C26_12 H26_12 0.9500 . ?
C27_12 O6_12 1.269(6) . ?
C27_12 O5_12 1.270(6) . ?
O1_12 H1A_12 0.8400 . ?
O3_12 H3A_12 0.8400 . ?
O6_12 H6A_12 0.8400 . ?
C1_13 C2_13 1.390(6) . ?
C1_13 C6_13 1.401(6) . ?
C1_13 C7_13 1.475(6) . ?
C2_13 C3_13 1.398(6) . ?
C2_13 H2_13 0.9500 . ?
C3_13 C4_13 1.385(6) . ?
C3_13 C14_13 1.492(6) . ?
C4_13 C5_13 1.385(6) . ?
C4_13 H4_13 0.9500 . ?
C5_13 C6_13 1.394(6) . ?
C5_13 C21_13 1.494(6) . ?
C6_13 H6_13 0.9500 . ?
C7_13 C12_13 1.408(7) . ?
C7_13 C8_13 1.415(6) . ?
C8_13 C9_13 1.376(6) . ?
C8_13 H8_13 0.9500 . ?
C9_13 C10_13 1.387(7) . ?
C9_13 H9_13 0.9500 . ?
C10_13 C11_13 1.369(6) . ?
C10_13 C13_13 1.511(7) . ?
C11_13 C12_13 1.390(6) . ?
C11_13 H11_13 0.9500 . ?
C12_13 H12_13 0.9500 . ?
C13_13 O2_13 1.234(6) . ?
C13_13 O1_13 1.281(6) . ?
C14_13 C15_13 1.382(6) . ?
C14_13 C19_13 1.409(6) . ?
C15_13 C16_13 1.390(6) . ?
C15_13 H15_13 0.9500 . ?
C16_13 C17_13 1.382(6) . ?
C16_13 H16_13 0.9500 . ?
C17_13 C18_13 1.385(6) . ?
C17_13 C20_13 1.486(7) . ?
C18_13 C19_13 1.377(6) . ?
C18_13 H18_13 0.9500 . ?
C19_13 H19_13 0.9500 . ?
C20_13 O4_13 1.240(6) . ?
C20_13 O3_13 1.295(6) . ?
C21_13 C26_13 1.395(6) . ?
C21_13 C22_13 1.401(6) . ?
C22_13 C23_13 1.372(6) . ?
C22_13 H22_13 0.9500 . ?
C23_13 C24_13 1.394(6) . ?
C23_13 H23_13 0.9500 . ?
C24_13 C25_13 1.382(6) . ?
C24_13 C27_13 1.481(6) . ?
C25_13 C26_13 1.386(6) . ?
C25_13 H25_13 0.9500 . ?
C26_13 H26_13 0.9500 . ?
C27_13 O5_13 1.251(6) . ?
C27_13 O6_13 1.278(6) . ?
O1_13 H1A_13 0.8400 . ?
O3_13 H3A_13 0.8400 . ?
O6_13 H6A_13 0.8400 . ?
C1_14 C6_14 1.386(6) . ?
C1_14 C2_14 1.394(5) . ?
C1_14 C7_14 1.492(6) . ?
C2_14 C3_14 1.387(5) . ?
C2_14 H2_14 0.9500 . ?
C3_14 C4_14 1.388(6) . ?
C3_14 C14_14 1.495(5) . ?
C4_14 C5_14 1.381(6) . ?
C4_14 H4_14 0.9500 . ?
C5_14 C6_14 1.406(6) . ?
C5_14 C21_14 1.498(6) . ?
C6_14 H6_14 0.9500 . ?
C7_14 C8_14 1.389(6) . ?
C7_14 C12_14 1.403(6) . ?
C8_14 C9_14 1.393(6) . ?
C8_14 H8_14 0.9500 . ?
C9_14 C10_14 1.386(6) . ?
C9_14 H9_14 0.9500 . ?
C10_14 C11_14 1.389(6) . ?
C10_14 C13_14 1.484(6) . ?
C11_14 C12_14 1.384(6) . ?
C11_14 H11_14 0.9500 . ?
C12_14 H12_14 0.9500 . ?
C13_14 O1_14 1.247(5) . ?
C13_14 O2_14 1.291(5) . ?
C14_14 C19_14 1.392(6) . ?
C14_14 C15_14 1.396(6) . ?
C15_14 C16_14 1.379(5) . ?
C15_14 H15_14 0.9500 . ?
C16_14 C17_14 1.390(6) . ?
C16_14 H16_14 0.9500 . ?
C17_14 C18_14 1.369(6) . ?
C17_14 C20_14 1.486(6) . ?
C18_14 C19_14 1.384(5) . ?
C18_14 H18_14 0.9500 . ?
C19_14 H19_14 0.9500 . ?
C20_14 O3_14 1.249(6) . ?
C20_14 O4_14 1.285(5) . ?
C21_14 C26_14 1.395(6) . ?
C21_14 C22_14 1.397(6) . ?
C22_14 C23_14 1.395(6) . ?
C22_14 H22_14 0.9500 . ?
C23_14 C24_14 1.368(6) . ?
C23_14 H23_14 0.9500 . ?
C24_14 C25_14 1.391(6) . ?
C24_14 C27_14 1.500(6) . ?
C25_14 C26_14 1.389(6) . ?
C25_14 H25_14 0.9500 . ?
C26_14 H26_14 0.9500 . ?
C27_14 O5_14 1.246(6) . ?
C27_14 O6_14 1.282(6) . ?
O2_14 H2A_14 0.8400 . ?
O4_14 H4A_14 0.8400 . ?
O6_14 H6A_14 0.8400 . ?

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
C6_1 C1_1 C2_1 118.5(4) . . ?
C6_1 C1_1 C7_1 120.4(4) . . ?
C2_1 C1_1 C7_1 121.1(4) . . ?
C3_1 C2_1 C1_1 121.5(5) . . ?
C3_1 C2_1 H2_1 119.3 . . ?
C1_1 C2_1 H2_1 119.3 . . ?
C2_1 C3_1 C4_1 118.2(4) . . ?
C2_1 C3_1 C14_1 120.8(5) . . ?
C4_1 C3_1 C14_1 121.0(4) . . ?
C5_1 C4_1 C3_1 121.3(4) . . ?
C5_1 C4_1 H4_1 119.3 . . ?
C3_1 C4_1 H4_1 119.3 . . ?
C6_1 C5_1 C4_1 119.4(5) . . ?
C6_1 C5_1 C21_1 121.0(4) . . ?
C4_1 C5_1 C21_1 119.6(4) . . ?
C5_1 C6_1 C1_1 121.0(5) . . ?
C5_1 C6_1 H6_1 119.5 . . ?
C1_1 C6_1 H6_1 119.5 . . ?
C12_1 C7_1 C8_1 118.4(4) . . ?
C12_1 C7_1 C1_1 120.9(4) . . ?
C8_1 C7_1 C1_1 120.8(4) . . ?
C9_1 C8_1 C7_1 121.3(5) . . ?
C9_1 C8_1 H8_1 119.4 . . ?
C7_1 C8_1 H8_1 119.4 . . ?
C8_1 C9_1 C10_1 119.9(5) . . ?
C8_1 C9_1 H9_1 120.0 . . ?
C10_1 C9_1 H9_1 120.0 . . ?
C11_1 C10_1 C9_1 119.1(4) . . ?
C11_1 C10_1 C13_1 120.6(5) . . ?
C9_1 C10_1 C13_1 120.2(5) . . ?
C10_1 C11_1 C12_1 120.5(5) . . ?
C10_1 C11_1 H11_1 119.7 . . ?
C12_1 C11_1 H11_1 119.7 . . ?
C7_1 C12_1 C11_1 120.7(5) . . ?
C7_1 C12_1 H12_1 119.6 . . ?
C11_1 C12_1 H12_1 119.6 . . ?
O1_1 C13_1 O2_1 123.4(5) . . ?
O1_1 C13_1 C10_1 119.8(5) . . ?
O2_1 C13_1 C10_1 116.8(5) . . ?
C19_1 C14_1 C15_1 117.6(5) . . ?
C19_1 C14_1 C3_1 121.5(5) . . ?
C15_1 C14_1 C3_1 120.9(5) . . ?
C16_1 C15_1 C14_1 120.9(5) . . ?
C16_1 C15_1 H15_1 119.5 . . ?
C14_1 C15_1 H15_1 119.5 . . ?
C17_1 C16_1 C15_1 120.1(5) . . ?
C17_1 C16_1 H16_1 119.9 . . ?
C15_1 C16_1 H16_1 119.9 . . ?
C18_1 C17_1 C16_1 119.9(5) . . ?
C18_1 C17_1 C20_1 117.0(5) . . ?
C16_1 C17_1 C20_1 123.1(5) . . ?
C17_1 C18_1 C19_1 119.7(5) . . ?
C17_1 C18_1 H18_1 120.2 . . ?
C19_1 C18_1 H18_1 120.2 . . ?
C14_1 C19_1 C18_1 121.7(5) . . ?
C14_1 C19_1 H19_1 119.1 . . ?
C18_1 C19_1 H19_1 119.1 . . ?
O4_1 C20_1 O3_1 123.7(5) . . ?
O4_1 C20_1 C17_1 122.8(5) . . ?
O3_1 C20_1 C17_1 113.5(5) . . ?
C26_1 C21_1 C22_1 119.7(5) . . ?
C26_1 C21_1 C5_1 120.0(4) . . ?
C22_1 C21_1 C5_1 120.2(4) . . ?
C23_1 C22_1 C21_1 119.3(5) . . ?
C23_1 C22_1 H22_1 120.3 . . ?
C21_1 C22_1 H22_1 120.3 . . ?
C24_1 C23_1 C22_1 120.5(5) . . ?
C24_1 C23_1 H23_1 119.8 . . ?
C22_1 C23_1 H23_1 119.8 . . ?
C25_1 C24_1 C23_1 120.4(5) . . ?
C25_1 C24_1 C27_1 118.1(5) . . ?
C23_1 C24_1 C27_1 121.5(5) . . ?
C24_1 C25_1 C26_1 120.3(5) . . ?
C24_1 C25_1 H25_1 119.9 . . ?
C26_1 C25_1 H25_1 119.9 . . ?
C25_1 C26_1 C21_1 119.8(5) . . ?
C25_1 C26_1 H26_1 120.1 . . ?
C21_1 C26_1 H26_1 120.1 . . ?
O6_1 C27_1 O5_1 124.4(5) . . ?
O6_1 C27_1 C24_1 119.8(5) . . ?
O5_1 C27_1 C24_1 115.7(5) . . ?
C13_1 O2_1 H2A_1 109.5 . . ?
C20_1 O3_1 H3A_1 109.5 . . ?
C27_1 O5_1 H5A_1 109.5 . . ?
C2_2 C1_2 C6_2 118.5(4) . . ?
C2_2 C1_2 C7_2 120.5(4) . . ?
C6_2 C1_2 C7_2 120.9(4) . . ?
C1_2 C2_2 C3_2 122.0(4) . . ?
C1_2 C2_2 H2_2 119.0 . . ?
C3_2 C2_2 H2_2 119.0 . . ?
C2_2 C3_2 C4_2 118.0(4) . . ?
C2_2 C3_2 C14_2 120.7(4) . . ?
C4_2 C3_2 C14_2 121.3(4) . . ?
C5_2 C4_2 C3_2 121.1(4) . . ?
C5_2 C4_2 H4_2 119.5 . . ?
C3_2 C4_2 H4_2 119.5 . . ?
C4_2 C5_2 C6_2 119.1(4) . . ?
C4_2 C5_2 C21_2 120.6(4) . . ?
C6_2 C5_2 C21_2 120.2(4) . . ?
C5_2 C6_2 C1_2 121.3(4) . . ?
C5_2 C6_2 H6_2 119.4 . . ?
C1_2 C6_2 H6_2 119.4 . . ?
C8_2 C7_2 C12_2 118.2(4) . . ?
C8_2 C7_2 C1_2 121.0(4) . . ?
C12_2 C7_2 C1_2 120.8(5) . . ?
C9_2 C8_2 C7_2 120.2(5) . . ?
C9_2 C8_2 H8_2 119.9 . . ?
C7_2 C8_2 H8_2 119.9 . . ?
C8_2 C9_2 C10_2 121.0(5) . . ?
C8_2 C9_2 H9_2 119.5 . . ?
C10_2 C9_2 H9_2 119.5 . . ?
C11_2 C10_2 C9_2 119.8(4) . . ?
C11_2 C10_2 C13_2 121.6(5) . . ?
C9_2 C10_2 C13_2 118.6(5) . . ?
C10_2 C11_2 C12_2 120.0(5) . . ?
C10_2 C11_2 H11_2 120.0 . . ?
C12_2 C11_2 H11_2 120.0 . . ?
C11_2 C12_2 C7_2 120.9(5) . . ?
C11_2 C12_2 H12_2 119.6 . . ?
C7_2 C12_2 H12_2 119.6 . . ?
O1_2 C13_2 O2_2 123.8(5) . . ?
O1_2 C13_2 C10_2 120.9(6) . . ?
O2_2 C13_2 C10_2 115.3(5) . . ?
C15_2 C14_2 C19_2 118.4(4) . . ?
C15_2 C14_2 C3_2 119.7(4) . . ?
C19_2 C14_2 C3_2 122.0(4) . . ?
C16_2 C15_2 C14_2 120.5(4) . . ?
C16_2 C15_2 H15_2 119.8 . . ?
C14_2 C15_2 H15_2 119.8 . . ?
C15_2 C16_2 C17_2 120.2(4) . . ?
C15_2 C16_2 H16_2 119.9 . . ?
C17_2 C16_2 H16_2 119.9 . . ?
C16_2 C17_2 C18_2 119.5(4) . . ?
C16_2 C17_2 C20_2 121.4(4) . . ?
C18_2 C17_2 C20_2 119.1(4) . . ?
C19_2 C18_2 C17_2 120.8(4) . . ?
C19_2 C18_2 H18_2 119.6 . . ?
C17_2 C18_2 H18_2 119.6 . . ?
C18_2 C19_2 C14_2 120.6(4) . . ?
C18_2 C19_2 H19_2 119.7 . . ?
C14_2 C19_2 H19_2 119.7 . . ?
O4_2 C20_2 O3_2 123.5(4) . . ?
O4_2 C20_2 C17_2 120.6(5) . . ?
O3_2 C20_2 C17_2 115.9(4) . . ?
C26_2 C21_2 C22_2 119.7(4) . . ?
C26_2 C21_2 C5_2 120.5(4) . . ?
C22_2 C21_2 C5_2 119.8(4) . . ?
C23_2 C22_2 C21_2 120.2(4) . . ?
C23_2 C22_2 H22_2 119.9 . . ?
C21_2 C22_2 H22_2 119.9 . . ?
C24_2 C23_2 C22_2 120.4(4) . . ?
C24_2 C23_2 H23_2 119.8 . . ?
C22_2 C23_2 H23_2 119.8 . . ?
C23_2 C24_2 C25_2 119.0(4) . . ?
C23_2 C24_2 C27_2 119.2(4) . . ?
C25_2 C24_2 C27_2 121.8(4) . . ?
C26_2 C25_2 C24_2 121.1(4) . . ?
C26_2 C25_2 H25_2 119.5 . . ?
C24_2 C25_2 H25_2 119.5 . . ?
C21_2 C26_2 C25_2 119.7(4) . . ?
C21_2 C26_2 H26_2 120.2 . . ?
C25_2 C26_2 H26_2 120.2 . . ?
O5_2 C27_2 O6_2 123.7(5) . . ?
O5_2 C27_2 C24_2 120.2(5) . . ?
O6_2 C27_2 C24_2 116.1(4) . . ?
C13_2 O2_2 H2A_2 109.5 . . ?
C20_2 O3_2 H3A_2 109.5 . . ?
C27_2 O6_2 H6A_2 109.5 . . ?
C2_3 C1_3 C6_3 118.6(4) . . ?
C2_3 C1_3 C7_3 120.6(4) . . ?
C6_3 C1_3 C7_3 120.8(4) . . ?
C1_3 C2_3 C3_3 122.0(4) . . ?
C1_3 C2_3 H2_3 119.0 . . ?
C3_3 C2_3 H2_3 119.0 . . ?
C4_3 C3_3 C2_3 117.3(4) . . ?
C4_3 C3_3 C14_3 121.5(4) . . ?
C2_3 C3_3 C14_3 121.1(4) . . ?
C5_3 C4_3 C3_3 121.7(5) . . ?
C5_3 C4_3 H4_3 119.2 . . ?
C3_3 C4_3 H4_3 119.2 . . ?
C6_3 C5_3 C4_3 119.1(4) . . ?
C6_3 C5_3 C21_3 119.7(4) . . ?
C4_3 C5_3 C21_3 121.1(4) . . ?
C5_3 C6_3 C1_3 121.3(4) . . ?
C5_3 C6_3 H6_3 119.4 . . ?
C1_3 C6_3 H6_3 119.4 . . ?
C8_3 C7_3 C12_3 118.0(4) . . ?
C8_3 C7_3 C1_3 121.9(4) . . ?
C12_3 C7_3 C1_3 120.1(4) . . ?
C9_3 C8_3 C7_3 121.0(5) . . ?
C9_3 C8_3 H8_3 119.5 . . ?
C7_3 C8_3 H8_3 119.5 . . ?
C8_3 C9_3 C10_3 120.8(5) . . ?
C8_3 C9_3 H9_3 119.6 . . ?
C10_3 C9_3 H9_3 119.6 . . ?
C9_3 C10_3 C11_3 118.6(4) . . ?
C9_3 C10_3 C13_3 120.0(5) . . ?
C11_3 C10_3 C13_3 121.3(5) . . ?
C12_3 C11_3 C10_3 120.5(5) . . ?
C12_3 C11_3 H11_3 119.8 . . ?
C10_3 C11_3 H11_3 119.8 . . ?
C11_3 C12_3 C7_3 121.0(5) . . ?
C11_3 C12_3 H12_3 119.5 . . ?
C7_3 C12_3 H12_3 119.5 . . ?
O1_3 C13_3 O2_3 122.1(5) . . ?
O1_3 C13_3 C10_3 122.0(5) . . ?
O2_3 C13_3 C10_3 115.9(5) . . ?
C15_3 C14_3 C19_3 118.1(4) . . ?
C15_3 C14_3 C3_3 121.6(4) . . ?
C19_3 C14_3 C3_3 120.3(4) . . ?
C16_3 C15_3 C14_3 120.9(5) . . ?
C16_3 C15_3 H15_3 119.5 . . ?
C14_3 C15_3 H15_3 119.5 . . ?
C17_3 C16_3 C15_3 120.4(5) . . ?
C17_3 C16_3 H16_3 119.8 . . ?
C15_3 C16_3 H16_3 119.8 . . ?
C18_3 C17_3 C16_3 119.7(4) . . ?
C18_3 C17_3 C20_3 119.8(5) . . ?
C16_3 C17_3 C20_3 120.5(5) . . ?
C17_3 C18_3 C19_3 120.1(5) . . ?
C17_3 C18_3 H18_3 120.0 . . ?
C19_3 C18_3 H18_3 120.0 . . ?
C18_3 C19_3 C14_3 120.9(5) . . ?
C18_3 C19_3 H19_3 119.6 . . ?
C14_3 C19_3 H19_3 119.6 . . ?
O3_3 C20_3 O4_3 124.5(4) . . ?
O3_3 C20_3 C17_3 119.2(5) . . ?
O4_3 C20_3 C17_3 116.2(5) . . ?
C26_3 C21_3 C22_3 118.5(4) . . ?
C26_3 C21_3 C5_3 121.8(4) . . ?
C22_3 C21_3 C5_3 119.7(4) . . ?
C23_3 C22_3 C21_3 120.9(5) . . ?
C23_3 C22_3 H22_3 119.5 . . ?
C21_3 C22_3 H22_3 119.5 . . ?
C22_3 C23_3 C24_3 120.8(5) . . ?
C22_3 C23_3 H23_3 119.6 . . ?
C24_3 C23_3 H23_3 119.6 . . ?
C23_3 C24_3 C25_3 119.0(5) . . ?
C23_3 C24_3 C27_3 121.1(5) . . ?
C25_3 C24_3 C27_3 119.9(5) . . ?
C26_3 C25_3 C24_3 120.0(5) . . ?
C26_3 C25_3 H25_3 120.0 . . ?
C24_3 C25_3 H25_3 120.0 . . ?
C25_3 C26_3 C21_3 120.8(4) . . ?
C25_3 C26_3 H26_3 119.6 . . ?
C21_3 C26_3 H26_3 119.6 . . ?
O5_3 C27_3 O6_3 124.7(5) . . ?
O5_3 C27_3 C24_3 120.9(5) . . ?
O6_3 C27_3 C24_3 114.4(5) . . ?
C13_3 O2_3 H2A_3 109.5 . . ?
C20_3 O4_3 H4A_3 109.5 . . ?
C27_3 O6_3 H6A_3 109.5 . . ?
C2_4 C1_4 C6_4 117.9(4) . . ?
C2_4 C1_4 C7_4 121.0(4) . . ?
C6_4 C1_4 C7_4 121.0(4) . . ?
C1_4 C2_4 C3_4 122.3(4) . . ?
C1_4 C2_4 H2_4 118.8 . . ?
C3_4 C2_4 H2_4 118.8 . . ?
C4_4 C3_4 C2_4 117.9(4) . . ?
C4_4 C3_4 C14_4 121.9(4) . . ?
C2_4 C3_4 C14_4 120.2(4) . . ?
C5_4 C4_4 C3_4 121.3(4) . . ?
C5_4 C4_4 H4_4 119.3 . . ?
C3_4 C4_4 H4_4 119.3 . . ?
C6_4 C5_4 C4_4 119.3(4) . . ?
C6_4 C5_4 C21_4 119.6(4) . . ?
C4_4 C5_4 C21_4 121.1(4) . . ?
C5_4 C6_4 C1_4 121.3(4) . . ?
C5_4 C6_4 H6_4 119.4 . . ?
C1_4 C6_4 H6_4 119.4 . . ?
C8_4 C7_4 C12_4 118.3(4) . . ?
C8_4 C7_4 C1_4 120.5(4) . . ?
C12_4 C7_4 C1_4 121.1(4) . . ?
C7_4 C8_4 C9_4 120.8(5) . . ?
C7_4 C8_4 H8_4 119.6 . . ?
C9_4 C8_4 H8_4 119.6 . . ?
C10_4 C9_4 C8_4 120.1(4) . . ?
C10_4 C9_4 H9_4 120.0 . . ?
C8_4 C9_4 H9_4 120.0 . . ?
C11_4 C10_4 C9_4 119.6(4) . . ?
C11_4 C10_4 C13_4 120.9(4) . . ?
C9_4 C10_4 C13_4 119.5(4) . . ?
C10_4 C11_4 C12_4 120.9(4) . . ?
C10_4 C11_4 H11_4 119.5 . . ?
C12_4 C11_4 H11_4 119.5 . . ?
C11_4 C12_4 C7_4 120.3(4) . . ?
C11_4 C12_4 H12_4 119.9 . . ?
C7_4 C12_4 H12_4 119.9 . . ?
O2_4 C13_4 O1_4 124.0(4) . . ?
O2_4 C13_4 C10_4 120.0(4) . . ?
O1_4 C13_4 C10_4 116.0(5) . . ?
C19_4 C14_4 C15_4 118.1(4) . . ?
C19_4 C14_4 C3_4 120.0(4) . . ?
C15_4 C14_4 C3_4 121.9(4) . . ?
C16_4 C15_4 C14_4 120.5(4) . . ?
C16_4 C15_4 H15_4 119.7 . . ?
C14_4 C15_4 H15_4 119.7 . . ?
C15_4 C16_4 C17_4 120.8(4) . . ?
C15_4 C16_4 H16_4 119.6 . . ?
C17_4 C16_4 H16_4 119.6 . . ?
C18_4 C17_4 C16_4 119.8(4) . . ?
C18_4 C17_4 C20_4 121.1(5) . . ?
C16_4 C17_4 C20_4 119.1(4) . . ?
C17_4 C18_4 C19_4 119.5(4) . . ?
C17_4 C18_4 H18_4 120.3 . . ?
C19_4 C18_4 H18_4 120.3 . . ?
C14_4 C19_4 C18_4 121.4(4) . . ?
C14_4 C19_4 H19_4 119.3 . . ?
C18_4 C19_4 H19_4 119.3 . . ?
O3_4 C20_4 O4_4 123.7(5) . . ?
O3_4 C20_4 C17_4 117.3(5) . . ?
O4_4 C20_4 C17_4 119.0(5) . . ?
C22_4 C21_4 C26_4 117.9(4) . . ?
C22_4 C21_4 C5_4 120.7(4) . . ?
C26_4 C21_4 C5_4 121.4(4) . . ?
C23_4 C22_4 C21_4 121.5(5) . . ?
C23_4 C22_4 H22_4 119.2 . . ?
C21_4 C22_4 H22_4 119.2 . . ?
C22_4 C23_4 C24_4 119.8(5) . . ?
C22_4 C23_4 H23_4 120.1 . . ?
C24_4 C23_4 H23_4 120.1 . . ?
C23_4 C24_4 C25_4 119.8(4) . . ?
C23_4 C24_4 C27_4 120.0(5) . . ?
C25_4 C24_4 C27_4 120.2(4) . . ?
C26_4 C25_4 C24_4 119.3(4) . . ?
C26_4 C25_4 H25_4 120.4 . . ?
C24_4 C25_4 H25_4 120.4 . . ?
C25_4 C26_4 C21_4 121.7(4) . . ?
C25_4 C26_4 H26_4 119.1 . . ?
C21_4 C26_4 H26_4 119.1 . . ?
O5_4 C27_4 O6_4 123.6(4) . . ?
O5_4 C27_4 C24_4 120.7(5) . . ?
O6_4 C27_4 C24_4 115.7(5) . . ?
C13_4 O1_4 H1A_4 109.5 . . ?
C20_4 O3_4 H3A_4 109.5 . . ?
C27_4 O6_4 H6A_4 109.5 . . ?
C2_5 C1_5 C6_5 117.6(4) . . ?
C2_5 C1_5 C7_5 121.1(4) . . ?
C6_5 C1_5 C7_5 121.3(4) . . ?
C1_5 C2_5 C3_5 121.7(4) . . ?
C1_5 C2_5 H2_5 119.1 . . ?
C3_5 C2_5 H2_5 119.1 . . ?
C4_5 C3_5 C2_5 118.2(4) . . ?
C4_5 C3_5 C14_5 121.5(4) . . ?
C2_5 C3_5 C14_5 120.2(4) . . ?
C3_5 C4_5 C5_5 121.8(4) . . ?
C3_5 C4_5 H4_5 119.1 . . ?
C5_5 C4_5 H4_5 119.1 . . ?
C6_5 C5_5 C4_5 118.3(4) . . ?
C6_5 C5_5 C21_5 120.8(4) . . ?
C4_5 C5_5 C21_5 120.9(4) . . ?
C5_5 C6_5 C1_5 122.3(5) . . ?
C5_5 C6_5 H6_5 118.8 . . ?
C1_5 C6_5 H6_5 118.8 . . ?
C12_5 C7_5 C8_5 117.3(4) . . ?
C12_5 C7_5 C1_5 121.2(4) . . ?
C8_5 C7_5 C1_5 121.6(5) . . ?
C9_5 C8_5 C7_5 122.0(5) . . ?
C9_5 C8_5 H8_5 119.0 . . ?
C7_5 C8_5 H8_5 119.0 . . ?
C8_5 C9_5 C10_5 119.7(5) . . ?
C8_5 C9_5 H9_5 120.1 . . ?
C10_5 C9_5 H9_5 120.1 . . ?
C11_5 C10_5 C9_5 119.8(4) . . ?
C11_5 C10_5 C13_5 120.0(5) . . ?
C9_5 C10_5 C13_5 120.2(5) . . ?
C12_5 C11_5 C10_5 119.1(5) . . ?
C12_5 C11_5 H11_5 120.4 . . ?
C10_5 C11_5 H11_5 120.4 . . ?
C11_5 C12_5 C7_5 122.1(5) . . ?
C11_5 C12_5 H12_5 119.0 . . ?
C7_5 C12_5 H12_5 119.0 . . ?
O2_5 C13_5 O1_5 124.0(5) . . ?
O2_5 C13_5 C10_5 118.9(5) . . ?
O1_5 C13_5 C10_5 117.0(5) . . ?
C15_5 C14_5 C19_5 117.7(4) . . ?
C15_5 C14_5 C3_5 121.3(4) . . ?
C19_5 C14_5 C3_5 121.0(4) . . ?
C16_5 C15_5 C14_5 121.3(4) . . ?
C16_5 C15_5 H15_5 119.3 . . ?
C14_5 C15_5 H15_5 119.3 . . ?
C17_5 C16_5 C15_5 120.3(5) . . ?
C17_5 C16_5 H16_5 119.8 . . ?
C15_5 C16_5 H16_5 119.8 . . ?
C16_5 C17_5 C18_5 119.8(5) . . ?
C16_5 C17_5 C20_5 122.2(5) . . ?
C18_5 C17_5 C20_5 118.0(5) . . ?
C17_5 C18_5 C19_5 120.2(5) . . ?
C17_5 C18_5 H18_5 119.9 . . ?
C19_5 C18_5 H18_5 119.9 . . ?
C18_5 C19_5 C14_5 120.6(4) . . ?
C18_5 C19_5 H19_5 119.7 . . ?
C14_5 C19_5 H19_5 119.7 . . ?
O4_5 C20_5 O3_5 124.0(5) . . ?
O4_5 C20_5 C17_5 121.4(5) . . ?
O3_5 C20_5 C17_5 114.5(5) . . ?
C26_5 C21_5 C22_5 118.3(4) . . ?
C26_5 C21_5 C5_5 120.9(4) . . ?
C22_5 C21_5 C5_5 120.9(4) . . ?
C23_5 C22_5 C21_5 120.9(5) . . ?
C23_5 C22_5 H22_5 119.5 . . ?
C21_5 C22_5 H22_5 119.5 . . ?
C22_5 C23_5 C24_5 120.4(5) . . ?
C22_5 C23_5 H23_5 119.8 . . ?
C24_5 C23_5 H23_5 119.8 . . ?
C23_5 C24_5 C25_5 119.1(4) . . ?
C23_5 C24_5 C27_5 119.6(5) . . ?
C25_5 C24_5 C27_5 121.4(5) . . ?
C26_5 C25_5 C24_5 120.0(5) . . ?
C26_5 C25_5 H25_5 120.0 . . ?
C24_5 C25_5 H25_5 120.0 . . ?
C21_5 C26_5 C25_5 121.3(4) . . ?
C21_5 C26_5 H26_5 119.4 . . ?
C25_5 C26_5 H26_5 119.4 . . ?
O5_5 C27_5 O6_5 122.8(5) . . ?
O5_5 C27_5 C24_5 120.0(5) . . ?
O6_5 C27_5 C24_5 117.2(5) . . ?
C13_5 O1_5 H1A_5 109.5 . . ?
C20_5 O3_5 H3A_5 109.5 . . ?
C27_5 O6_5 H6A_5 109.5 . . ?
C6_6 C1_6 C2_6 118.3(4) . . ?
C6_6 C1_6 C7_6 121.1(4) . . ?
C2_6 C1_6 C7_6 120.6(4) . . ?
C3_6 C2_6 C1_6 122.6(4) . . ?
C3_6 C2_6 H2_6 118.7 . . ?
C1_6 C2_6 H2_6 118.7 . . ?
C2_6 C3_6 C4_6 117.5(4) . . ?
C2_6 C3_6 C14_6 121.6(4) . . ?
C4_6 C3_6 C14_6 120.9(4) . . ?
C5_6 C4_6 C3_6 121.7(4) . . ?
C5_6 C4_6 H4_6 119.1 . . ?
C3_6 C4_6 H4_6 119.1 . . ?
C4_6 C5_6 C6_6 118.6(4) . . ?
C4_6 C5_6 C21_6 120.7(4) . . ?
C6_6 C5_6 C21_6 120.7(4) . . ?
C1_6 C6_6 C5_6 121.3(4) . . ?
C1_6 C6_6 H6_6 119.4 . . ?
C5_6 C6_6 H6_6 119.4 . . ?
C12_6 C7_6 C8_6 118.6(4) . . ?
C12_6 C7_6 C1_6 120.2(4) . . ?
C8_6 C7_6 C1_6 121.2(4) . . ?
C9_6 C8_6 C7_6 121.3(5) . . ?
C9_6 C8_6 H8_6 119.4 . . ?
C7_6 C8_6 H8_6 119.4 . . ?
C8_6 C9_6 C10_6 120.0(5) . . ?
C8_6 C9_6 H9_6 120.0 . . ?
C10_6 C9_6 H9_6 120.0 . . ?
C11_6 C10_6 C9_6 119.3(5) . . ?
C11_6 C10_6 C13_6 121.1(5) . . ?
C9_6 C10_6 C13_6 119.6(5) . . ?
C10_6 C11_6 C12_6 120.2(5) . . ?
C10_6 C11_6 H11_6 119.9 . . ?
C12_6 C11_6 H11_6 119.9 . . ?
C7_6 C12_6 C11_6 120.6(5) . . ?
C7_6 C12_6 H12_6 119.7 . . ?
C11_6 C12_6 H12_6 119.7 . . ?
O1_6 C13_6 O2_6 123.6(5) . . ?
O1_6 C13_6 C10_6 119.6(5) . . ?
O2_6 C13_6 C10_6 116.8(5) . . ?
C15_6 C14_6 C19_6 118.2(4) . . ?
C15_6 C14_6 C3_6 120.7(4) . . ?
C19_6 C14_6 C3_6 121.0(4) . . ?
C14_6 C15_6 C16_6 121.5(4) . . ?
C14_6 C15_6 H15_6 119.2 . . ?
C16_6 C15_6 H15_6 119.2 . . ?
C15_6 C16_6 C17_6 119.0(4) . . ?
C15_6 C16_6 H16_6 120.5 . . ?
C17_6 C16_6 H16_6 120.5 . . ?
C18_6 C17_6 C16_6 120.6(4) . . ?
C18_6 C17_6 C20_6 119.6(5) . . ?
C16_6 C17_6 C20_6 119.8(4) . . ?
C17_6 C18_6 C19_6 119.5(5) . . ?
C17_6 C18_6 H18_6 120.2 . . ?
C19_6 C18_6 H18_6 120.2 . . ?
C14_6 C19_6 C18_6 121.1(4) . . ?
C14_6 C19_6 H19_6 119.4 . . ?
C18_6 C19_6 H19_6 119.4 . . ?
O4_6 C20_6 O3_6 124.2(4) . . ?
O4_6 C20_6 C17_6 119.4(5) . . ?
O3_6 C20_6 C17_6 116.5(4) . . ?
C22_6 C21_6 C26_6 117.8(4) . . ?
C22_6 C21_6 C5_6 121.4(4) . . ?
C26_6 C21_6 C5_6 120.8(4) . . ?
C23_6 C22_6 C21_6 121.6(5) . . ?
C23_6 C22_6 H22_6 119.2 . . ?
C21_6 C22_6 H22_6 119.2 . . ?
C22_6 C23_6 C24_6 120.0(5) . . ?
C22_6 C23_6 H23_6 120.0 . . ?
C24_6 C23_6 H23_6 120.0 . . ?
C23_6 C24_6 C25_6 119.9(5) . . ?
C23_6 C24_6 C27_6 118.8(5) . . ?
C25_6 C24_6 C27_6 121.3(5) . . ?
C24_6 C25_6 C26_6 119.4(5) . . ?
C24_6 C25_6 H25_6 120.3 . . ?
C26_6 C25_6 H25_6 120.3 . . ?
C25_6 C26_6 C21_6 121.3(4) . . ?
C25_6 C26_6 H26_6 119.4 . . ?
C21_6 C26_6 H26_6 119.4 . . ?
O5_6 C27_6 O6_6 124.1(5) . . ?
O5_6 C27_6 C24_6 119.9(5) . . ?
O6_6 C27_6 C24_6 116.0(5) . . ?
C13_6 O2_6 H2A_6 109.5 . . ?
C20_6 O3_6 H3A_6 109.5 . . ?
C27_6 O6_6 H6A_6 109.5 . . ?
C6_7 C1_7 C2_7 117.4(4) . . ?
C6_7 C1_7 C7_7 122.0(4) . . ?
C2_7 C1_7 C7_7 120.7(4) . . ?
C3_7 C2_7 C1_7 122.2(4) . . ?
C3_7 C2_7 H2_7 118.9 . . ?
C1_7 C2_7 H2_7 118.9 . . ?
C2_7 C3_7 C4_7 117.6(4) . . ?
C2_7 C3_7 C14_7 121.0(4) . . ?
C4_7 C3_7 C14_7 121.4(4) . . ?
C5_7 C4_7 C3_7 122.1(4) . . ?
C5_7 C4_7 H4_7 119.0 . . ?
C3_7 C4_7 H4_7 119.0 . . ?
C4_7 C5_7 C6_7 118.6(4) . . ?
C4_7 C5_7 C21_7 120.8(4) . . ?
C6_7 C5_7 C21_7 120.6(4) . . ?
C5_7 C6_7 C1_7 122.1(4) . . ?
C5_7 C6_7 H6_7 118.9 . . ?
C1_7 C6_7 H6_7 118.9 . . ?
C8_7 C7_7 C12_7 118.2(4) . . ?
C8_7 C7_7 C1_7 121.2(4) . . ?
C12_7 C7_7 C1_7 120.6(4) . . ?
C9_7 C8_7 C7_7 121.5(4) . . ?
C9_7 C8_7 H8_7 119.3 . . ?
C7_7 C8_7 H8_7 119.3 . . ?
C8_7 C9_7 C10_7 119.9(4) . . ?
C8_7 C9_7 H9_7 120.0 . . ?
C10_7 C9_7 H9_7 120.0 . . ?
C11_7 C10_7 C9_7 119.5(4) . . ?
C11_7 C10_7 C13_7 122.4(4) . . ?
C9_7 C10_7 C13_7 118.1(4) . . ?
C12_7 C11_7 C10_7 119.7(4) . . ?
C12_7 C11_7 H11_7 120.2 . . ?
C10_7 C11_7 H11_7 120.2 . . ?
C11_7 C12_7 C7_7 121.2(4) . . ?
C11_7 C12_7 H12_7 119.4 . . ?
C7_7 C12_7 H12_7 119.4 . . ?
O1_7 C13_7 O2_7 123.6(4) . . ?
O1_7 C13_7 C10_7 121.2(4) . . ?
O2_7 C13_7 C10_7 115.2(4) . . ?
C15_7 C14_7 C19_7 117.9(4) . . ?
C15_7 C14_7 C3_7 119.9(4) . . ?
C19_7 C14_7 C3_7 122.1(4) . . ?
C14_7 C15_7 C16_7 121.9(4) . . ?
C14_7 C15_7 H15_7 119.1 . . ?
C16_7 C15_7 H15_7 119.1 . . ?
C15_7 C16_7 C17_7 119.7(4) . . ?
C15_7 C16_7 H16_7 120.2 . . ?
C17_7 C16_7 H16_7 120.2 . . ?
C18_7 C17_7 C16_7 119.5(4) . . ?
C18_7 C17_7 C20_7 121.3(4) . . ?
C16_7 C17_7 C20_7 119.2(4) . . ?
C17_7 C18_7 C19_7 120.5(4) . . ?
C17_7 C18_7 H18_7 119.7 . . ?
C19_7 C18_7 H18_7 119.7 . . ?
C18_7 C19_7 C14_7 120.4(4) . . ?
C18_7 C19_7 H19_7 119.8 . . ?
C14_7 C19_7 H19_7 119.8 . . ?
O3_7 C20_7 O4_7 124.2(4) . . ?
O3_7 C20_7 C17_7 118.8(4) . . ?
O4_7 C20_7 C17_7 116.9(4) . . ?
C22_7 C21_7 C26_7 117.7(4) . . ?
C22_7 C21_7 C5_7 121.1(4) . . ?
C26_7 C21_7 C5_7 121.2(4) . . ?
C23_7 C22_7 C21_7 121.2(4) . . ?
C23_7 C22_7 H22_7 119.4 . . ?
C21_7 C22_7 H22_7 119.4 . . ?
C22_7 C23_7 C24_7 120.3(5) . . ?
C22_7 C23_7 H23_7 119.9 . . ?
C24_7 C23_7 H23_7 119.9 . . ?
C25_7 C24_7 C23_7 119.3(4) . . ?
C25_7 C24_7 C27_7 121.3(4) . . ?
C23_7 C24_7 C27_7 119.4(5) . . ?
C26_7 C25_7 C24_7 120.2(4) . . ?
C26_7 C25_7 H25_7 119.9 . . ?
C24_7 C25_7 H25_7 119.9 . . ?
C25_7 C26_7 C21_7 121.3(4) . . ?
C25_7 C26_7 H26_7 119.4 . . ?
C21_7 C26_7 H26_7 119.4 . . ?
O6_7 C27_7 O5_7 123.8(5) . . ?
O6_7 C27_7 C24_7 119.0(5) . . ?
O5_7 C27_7 C24_7 117.2(5) . . ?
C13_7 O2_7 H2A_7 109.5 . . ?
C20_7 O4_7 H4A_7 109.5 . . ?
C27_7 O5_7 H5A_7 109.5 . . ?
C6_8 C1_8 C2_8 117.2(4) . . ?
C6_8 C1_8 C7_8 120.7(4) . . ?
C2_8 C1_8 C7_8 122.1(4) . . ?
C3_8 C2_8 C1_8 122.7(4) . . ?
C3_8 C2_8 H2_8 118.7 . . ?
C1_8 C2_8 H2_8 118.7 . . ?
C2_8 C3_8 C4_8 118.5(4) . . ?
C2_8 C3_8 C14_8 120.7(4) . . ?
C4_8 C3_8 C14_8 120.8(4) . . ?
C3_8 C4_8 C5_8 120.9(4) . . ?
C3_8 C4_8 H4_8 119.6 . . ?
C5_8 C4_8 H4_8 119.6 . . ?
C6_8 C5_8 C4_8 118.6(4) . . ?
C6_8 C5_8 C21_8 120.5(4) . . ?
C4_8 C5_8 C21_8 120.9(4) . . ?
C5_8 C6_8 C1_8 122.2(4) . . ?
C5_8 C6_8 H6_8 118.9 . . ?
C1_8 C6_8 H6_8 118.9 . . ?
C12_8 C7_8 C8_8 117.7(4) . . ?
C12_8 C7_8 C1_8 120.7(4) . . ?
C8_8 C7_8 C1_8 121.6(4) . . ?
C9_8 C8_8 C7_8 121.5(4) . . ?
C9_8 C8_8 H8_8 119.3 . . ?
C7_8 C8_8 H8_8 119.3 . . ?
C10_8 C9_8 C8_8 119.8(5) . . ?
C10_8 C9_8 H9_8 120.1 . . ?
C8_8 C9_8 H9_8 120.1 . . ?
C9_8 C10_8 C11_8 119.9(5) . . ?
C9_8 C10_8 C13_8 120.4(5) . . ?
C11_8 C10_8 C13_8 119.8(5) . . ?
C10_8 C11_8 C12_8 120.3(5) . . ?
C10_8 C11_8 H11_8 119.8 . . ?
C12_8 C11_8 H11_8 119.8 . . ?
C11_8 C12_8 C7_8 120.8(5) . . ?
C11_8 C12_8 H12_8 119.6 . . ?
C7_8 C12_8 H12_8 119.6 . . ?
O1_8 C13_8 O2_8 123.7(5) . . ?
O1_8 C13_8 C10_8 120.7(5) . . ?
O2_8 C13_8 C10_8 115.6(5) . . ?
C19_8 C14_8 C15_8 118.4(4) . . ?
C19_8 C14_8 C3_8 120.8(4) . . ?
C15_8 C14_8 C3_8 120.9(4) . . ?
C16_8 C15_8 C14_8 120.8(5) . . ?
C16_8 C15_8 H15_8 119.6 . . ?
C14_8 C15_8 H15_8 119.6 . . ?
C15_8 C16_8 C17_8 119.3(5) . . ?
C15_8 C16_8 H16_8 120.3 . . ?
C17_8 C16_8 H16_8 120.3 . . ?
C18_8 C17_8 C16_8 120.1(5) . . ?
C18_8 C17_8 C20_8 119.2(5) . . ?
C16_8 C17_8 C20_8 120.7(5) . . ?
C19_8 C18_8 C17_8 120.2(5) . . ?
C19_8 C18_8 H18_8 119.9 . . ?
C17_8 C18_8 H18_8 119.9 . . ?
C18_8 C19_8 C14_8 121.2(5) . . ?
C18_8 C19_8 H19_8 119.4 . . ?
C14_8 C19_8 H19_8 119.4 . . ?
O4_8 C20_8 O3_8 122.9(5) . . ?
O4_8 C20_8 C17_8 120.5(5) . . ?
O3_8 C20_8 C17_8 116.5(5) . . ?
C26_8 C21_8 C22_8 118.4(5) . . ?
C26_8 C21_8 C5_8 120.9(4) . . ?
C22_8 C21_8 C5_8 120.7(4) . . ?
C23_8 C22_8 C21_8 121.4(5) . . ?
C23_8 C22_8 H22_8 119.3 . . ?
C21_8 C22_8 H22_8 119.3 . . ?
C24_8 C23_8 C22_8 120.1(5) . . ?
C24_8 C23_8 H23_8 120.0 . . ?
C22_8 C23_8 H23_8 120.0 . . ?
C23_8 C24_8 C25_8 119.3(5) . . ?
C23_8 C24_8 C27_8 120.7(5) . . ?
C25_8 C24_8 C27_8 119.9(5) . . ?
C24_8 C25_8 C26_8 121.0(5) . . ?
C24_8 C25_8 H25_8 119.5 . . ?
C26_8 C25_8 H25_8 119.5 . . ?
C21_8 C26_8 C25_8 119.8(5) . . ?
C21_8 C26_8 H26_8 120.1 . . ?
C25_8 C26_8 H26_8 120.1 . . ?
O5_8 C27_8 O6_8 123.8(5) . . ?
O5_8 C27_8 C24_8 120.0(5) . . ?
O6_8 C27_8 C24_8 116.2(5) . . ?
C13_8 O2_8 H2A_8 109.5 . . ?
C20_8 O3_8 H3A_8 109.5 . . ?
C27_8 O6_8 H6A_8 109.5 . . ?
C6_9 C1_9 C2_9 118.1(4) . . ?
C6_9 C1_9 C7_9 121.2(4) . . ?
C2_9 C1_9 C7_9 120.7(4) . . ?
C3_9 C2_9 C1_9 121.3(4) . . ?
C3_9 C2_9 H2_9 119.4 . . ?
C1_9 C2_9 H2_9 119.4 . . ?
C4_9 C3_9 C2_9 118.8(4) . . ?
C4_9 C3_9 C14_9 121.2(4) . . ?
C2_9 C3_9 C14_9 120.1(4) . . ?
C5_9 C4_9 C3_9 121.3(4) . . ?
C5_9 C4_9 H4_9 119.3 . . ?
C3_9 C4_9 H4_9 119.3 . . ?
C4_9 C5_9 C6_9 118.6(4) . . ?
C4_9 C5_9 C21_9 120.9(4) . . ?
C6_9 C5_9 C21_9 120.5(4) . . ?
C5_9 C6_9 C1_9 121.9(4) . . ?
C5_9 C6_9 H6_9 119.1 . . ?
C1_9 C6_9 H6_9 119.1 . . ?
C8_9 C7_9 C12_9 117.9(4) . . ?
C8_9 C7_9 C1_9 121.1(4) . . ?
C12_9 C7_9 C1_9 121.0(4) . . ?
C7_9 C8_9 C9_9 121.6(5) . . ?
C7_9 C8_9 H8_9 119.2 . . ?
C9_9 C8_9 H8_9 119.2 . . ?
C8_9 C9_9 C10_9 119.3(5) . . ?
C8_9 C9_9 H9_9 120.3 . . ?
C10_9 C9_9 H9_9 120.3 . . ?
C11_9 C10_9 C9_9 119.8(5) . . ?
C11_9 C10_9 C13_9 120.4(5) . . ?
C9_9 C10_9 C13_9 119.7(5) . . ?
C10_9 C11_9 C12_9 119.6(5) . . ?
C10_9 C11_9 H11_9 120.2 . . ?
C12_9 C11_9 H11_9 120.2 . . ?
C11_9 C12_9 C7_9 121.8(4) . . ?
C11_9 C12_9 H12_9 119.1 . . ?
C7_9 C12_9 H12_9 119.1 . . ?
O2_9 C13_9 O1_9 123.8(5) . . ?
O2_9 C13_9 C10_9 118.5(5) . . ?
O1_9 C13_9 C10_9 117.7(5) . . ?
C15_9 C14_9 C19_9 117.6(4) . . ?
C15_9 C14_9 C3_9 122.0(4) . . ?
C19_9 C14_9 C3_9 120.5(4) . . ?
C16_9 C15_9 C14_9 121.2(4) . . ?
C16_9 C15_9 H15_9 119.4 . . ?
C14_9 C15_9 H15_9 119.4 . . ?
C15_9 C16_9 C17_9 120.0(4) . . ?
C15_9 C16_9 H16_9 120.0 . . ?
C17_9 C16_9 H16_9 120.0 . . ?
C18_9 C17_9 C16_9 119.6(4) . . ?
C18_9 C17_9 C20_9 119.4(4) . . ?
C16_9 C17_9 C20_9 121.0(5) . . ?
C19_9 C18_9 C17_9 120.5(4) . . ?
C19_9 C18_9 H18_9 119.8 . . ?
C17_9 C18_9 H18_9 119.8 . . ?
C18_9 C19_9 C14_9 121.1(4) . . ?
C18_9 C19_9 H19_9 119.4 . . ?
C14_9 C19_9 H19_9 119.4 . . ?
O4_9 C20_9 O3_9 123.9(5) . . ?
O4_9 C20_9 C17_9 119.7(5) . . ?
O3_9 C20_9 C17_9 116.4(4) . . ?
C22_9 C21_9 C26_9 118.0(4) . . ?
C22_9 C21_9 C5_9 121.9(4) . . ?
C26_9 C21_9 C5_9 120.1(4) . . ?
C21_9 C22_9 C23_9 121.7(4) . . ?
C21_9 C22_9 H22_9 119.1 . . ?
C23_9 C22_9 H22_9 119.1 . . ?
C24_9 C23_9 C22_9 119.7(4) . . ?
C24_9 C23_9 H23_9 120.1 . . ?
C22_9 C23_9 H23_9 120.1 . . ?
C23_9 C24_9 C25_9 120.3(4) . . ?
C23_9 C24_9 C27_9 120.2(4) . . ?
C25_9 C24_9 C27_9 119.5(4) . . ?
C24_9 C25_9 C26_9 118.9(4) . . ?
C24_9 C25_9 H25_9 120.5 . . ?
C26_9 C25_9 H25_9 120.5 . . ?
C21_9 C26_9 C25_9 121.3(4) . . ?
C21_9 C26_9 H26_9 119.3 . . ?
C25_9 C26_9 H26_9 119.3 . . ?
O5_9 C27_9 O6_9 123.9(4) . . ?
O5_9 C27_9 C24_9 119.8(5) . . ?
O6_9 C27_9 C24_9 116.3(5) . . ?
C13_9 O1_9 H1A_9 109.5 . . ?
C20_9 O3_9 H3A_9 109.5 . . ?
C27_9 O6_9 H6A_9 109.5 . . ?
C6_10 C1_10 C2_10 117.8(4) . . ?
C6_10 C1_10 C7_10 121.0(4) . . ?
C2_10 C1_10 C7_10 121.1(4) . . ?
C1_10 C2_10 C3_10 121.9(4) . . ?
C1_10 C2_10 H2_10 119.1 . . ?
C3_10 C2_10 H2_10 119.1 . . ?
C4_10 C3_10 C2_10 118.4(4) . . ?
C4_10 C3_10 C14_10 120.3(4) . . ?
C2_10 C3_10 C14_10 121.3(4) . . ?
C3_10 C4_10 C5_10 121.6(4) . . ?
C3_10 C4_10 H4_10 119.2 . . ?
C5_10 C4_10 H4_10 119.2 . . ?
C6_10 C5_10 C4_10 118.0(4) . . ?
C6_10 C5_10 C21_10 120.9(4) . . ?
C4_10 C5_10 C21_10 121.0(4) . . ?
C1_10 C6_10 C5_10 122.3(4) . . ?
C1_10 C6_10 H6_10 118.8 . . ?
C5_10 C6_10 H6_10 118.8 . . ?
C8_10 C7_10 C12_10 117.3(4) . . ?
C8_10 C7_10 C1_10 121.6(4) . . ?
C12_10 C7_10 C1_10 121.1(4) . . ?
C7_10 C8_10 C9_10 121.4(4) . . ?
C7_10 C8_10 H8_10 119.3 . . ?
C9_10 C8_10 H8_10 119.3 . . ?
C10_10 C9_10 C8_10 120.3(4) . . ?
C10_10 C9_10 H9_10 119.9 . . ?
C8_10 C9_10 H9_10 119.9 . . ?
C9_10 C10_10 C11_10 118.8(4) . . ?
C9_10 C10_10 C13_10 121.1(4) . . ?
C11_10 C10_10 C13_10 120.1(4) . . ?
C12_10 C11_10 C10_10 120.8(4) . . ?
C12_10 C11_10 H11_10 119.6 . . ?
C10_10 C11_10 H11_10 119.6 . . ?
C11_10 C12_10 C7_10 121.5(4) . . ?
C11_10 C12_10 H12_10 119.3 . . ?
C7_10 C12_10 H12_10 119.3 . . ?
O1_10 C13_10 O2_10 122.6(5) . . ?
O1_10 C13_10 C10_10 119.3(5) . . ?
O2_10 C13_10 C10_10 118.1(5) . . ?
C15_10 C14_10 C19_10 117.7(4) . . ?
C15_10 C14_10 C3_10 121.0(4) . . ?
C19_10 C14_10 C3_10 121.2(4) . . ?
C14_10 C15_10 C16_10 120.9(5) . . ?
C14_10 C15_10 H15_10 119.5 . . ?
C16_10 C15_10 H15_10 119.5 . . ?
C17_10 C16_10 C15_10 120.0(5) . . ?
C17_10 C16_10 H16_10 120.0 . . ?
C15_10 C16_10 H16_10 120.0 . . ?
C16_10 C17_10 C18_10 119.8(5) . . ?
C16_10 C17_10 C20_10 122.9(5) . . ?
C18_10 C17_10 C20_10 117.3(5) . . ?
C19_10 C18_10 C17_10 119.7(5) . . ?
C19_10 C18_10 H18_10 120.1 . . ?
C17_10 C18_10 H18_10 120.1 . . ?
C18_10 C19_10 C14_10 121.8(5) . . ?
C18_10 C19_10 H19_10 119.1 . . ?
C14_10 C19_10 H19_10 119.1 . . ?
O4_10 C20_10 O3_10 124.0(5) . . ?
O4_10 C20_10 C17_10 121.3(5) . . ?
O3_10 C20_10 C17_10 114.7(5) . . ?
C26_10 C21_10 C22_10 118.7(4) . . ?
C26_10 C21_10 C5_10 120.1(4) . . ?
C22_10 C21_10 C5_10 121.1(4) . . ?
C23_10 C22_10 C21_10 120.3(4) . . ?
C23_10 C22_10 H22_10 119.9 . . ?
C21_10 C22_10 H22_10 119.9 . . ?
C24_10 C23_10 C22_10 120.3(5) . . ?
C24_10 C23_10 H23_10 119.8 . . ?
C22_10 C23_10 H23_10 119.8 . . ?
C23_10 C24_10 C25_10 119.8(4) . . ?
C23_10 C24_10 C27_10 120.7(5) . . ?
C25_10 C24_10 C27_10 119.4(5) . . ?
C26_10 C25_10 C24_10 119.7(4) . . ?
C26_10 C25_10 H25_10 120.2 . . ?
C24_10 C25_10 H25_10 120.2 . . ?
C21_10 C26_10 C25_10 121.2(4) . . ?
C21_10 C26_10 H26_10 119.4 . . ?
C25_10 C26_10 H26_10 119.4 . . ?
O5_10 C27_10 O6_10 124.2(4) . . ?
O5_10 C27_10 C24_10 117.6(5) . . ?
O6_10 C27_10 C24_10 118.2(5) . . ?
C13_10 O2_10 H2A_10 109.5 . . ?
C20_10 O3_10 H3A_10 109.5 . . ?
C27_10 O5_10 H5A_10 109.5 . . ?
C6_11 C1_11 C2_11 118.2(4) . . ?
C6_11 C1_11 C7_11 121.6(4) . . ?
C2_11 C1_11 C7_11 120.2(4) . . ?
C3_11 C2_11 C1_11 120.8(4) . . ?
C3_11 C2_11 H2_11 119.6 . . ?
C1_11 C2_11 H2_11 119.6 . . ?
C2_11 C3_11 C4_11 120.0(4) . . ?
C2_11 C3_11 C14_11 119.1(4) . . ?
C4_11 C3_11 C14_11 120.9(4) . . ?
C3_11 C4_11 C5_11 120.8(4) . . ?
C3_11 C4_11 H4_11 119.6 . . ?
C5_11 C4_11 H4_11 119.6 . . ?
C4_11 C5_11 C6_11 117.9(4) . . ?
C4_11 C5_11 C21_11 121.5(4) . . ?
C6_11 C5_11 C21_11 120.6(4) . . ?
C1_11 C6_11 C5_11 122.2(4) . . ?
C1_11 C6_11 H6_11 118.9 . . ?
C5_11 C6_11 H6_11 118.9 . . ?
C8_11 C7_11 C12_11 118.4(4) . . ?
C8_11 C7_11 C1_11 120.7(4) . . ?
C12_11 C7_11 C1_11 120.8(4) . . ?
C9_11 C8_11 C7_11 120.9(4) . . ?
C9_11 C8_11 H8_11 119.5 . . ?
C7_11 C8_11 H8_11 119.5 . . ?
C8_11 C9_11 C10_11 120.5(4) . . ?
C8_11 C9_11 H9_11 119.7 . . ?
C10_11 C9_11 H9_11 119.7 . . ?
C11_11 C10_11 C9_11 119.5(4) . . ?
C11_11 C10_11 C13_11 119.3(4) . . ?
C9_11 C10_11 C13_11 121.3(4) . . ?
C10_11 C11_11 C12_11 119.6(4) . . ?
C10_11 C11_11 H11_11 120.2 . . ?
C12_11 C11_11 H11_11 120.2 . . ?
C7_11 C12_11 C11_11 121.0(4) . . ?
C7_11 C12_11 H12_11 119.5 . . ?
C11_11 C12_11 H12_11 119.5 . . ?
O2_11 C13_11 O1_11 124.0(4) . . ?
O2_11 C13_11 C10_11 122.0(4) . . ?
O1_11 C13_11 C10_11 114.0(4) . . ?
C19_11 C14_11 C15_11 119.6(4) . . ?
C19_11 C14_11 C3_11 120.1(4) . . ?
C15_11 C14_11 C3_11 120.3(4) . . ?
C16_11 C15_11 C14_11 119.7(4) . . ?
C16_11 C15_11 H15_11 120.2 . . ?
C14_11 C15_11 H15_11 120.2 . . ?
C17_11 C16_11 C15_11 120.9(5) . . ?
C17_11 C16_11 H16_11 119.5 . . ?
C15_11 C16_11 H16_11 119.5 . . ?
C16_11 C17_11 C18_11 119.5(4) . . ?
C16_11 C17_11 C20_11 119.5(5) . . ?
C18_11 C17_11 C20_11 121.0(4) . . ?
C19_11 C18_11 C17_11 119.7(4) . . ?
C19_11 C18_11 H18_11 120.1 . . ?
C17_11 C18_11 H18_11 120.2 . . ?
C18_11 C19_11 C14_11 120.5(4) . . ?
C18_11 C19_11 H19_11 119.8 . . ?
C14_11 C19_11 H19_11 119.8 . . ?
O3_11 C20_11 O4_11 123.9(5) . . ?
O3_11 C20_11 C17_11 118.3(5) . . ?
O4_11 C20_11 C17_11 117.8(5) . . ?
C26_11 C21_11 C22_11 118.6(4) . . ?
C26_11 C21_11 C5_11 121.5(4) . . ?
C22_11 C21_11 C5_11 119.8(4) . . ?
C23_11 C22_11 C21_11 119.8(4) . . ?
C23_11 C22_11 H22_11 120.1 . . ?
C21_11 C22_11 H22_11 120.1 . . ?
C24_11 C23_11 C22_11 120.4(4) . . ?
C24_11 C23_11 H23_11 119.8 . . ?
C22_11 C23_11 H23_11 119.8 . . ?
C25_11 C24_11 C23_11 118.8(4) . . ?
C25_11 C24_11 C27_11 120.6(4) . . ?
C23_11 C24_11 C27_11 120.6(4) . . ?
C24_11 C25_11 C26_11 120.8(5) . . ?
C24_11 C25_11 H25_11 119.6 . . ?
C26_11 C25_11 H25_11 119.6 . . ?
C21_11 C26_11 C25_11 121.4(4) . . ?
C21_11 C26_11 H26_11 119.3 . . ?
C25_11 C26_11 H26_11 119.3 . . ?
O6_11 C27_11 O5_11 124.8(4) . . ?
O6_11 C27_11 C24_11 120.0(5) . . ?
O5_11 C27_11 C24_11 115.1(4) . . ?
C13_11 O1_11 H1A_11 109.5 . . ?
C20_11 O4_11 H4A_11 109.5 . . ?
C27_11 O5_11 H5A_11 109.5 . . ?
C2_12 C1_12 C6_12 118.6(4) . . ?
C2_12 C1_12 C7_12 121.1(4) . . ?
C6_12 C1_12 C7_12 120.3(4) . . ?
C1_12 C2_12 C3_12 122.0(4) . . ?
C1_12 C2_12 H2_12 119.0 . . ?
C3_12 C2_12 H2_12 119.0 . . ?
C4_12 C3_12 C2_12 118.4(4) . . ?
C4_12 C3_12 C14_12 121.0(4) . . ?
C2_12 C3_12 C14_12 120.6(4) . . ?
C3_12 C4_12 C5_12 121.3(4) . . ?
C3_12 C4_12 H4_12 119.3 . . ?
C5_12 C4_12 H4_12 119.3 . . ?
C6_12 C5_12 C4_12 118.6(4) . . ?
C6_12 C5_12 C21_12 120.5(4) . . ?
C4_12 C5_12 C21_12 121.0(4) . . ?
C1_12 C6_12 C5_12 121.1(4) . . ?
C1_12 C6_12 H6_12 119.5 . . ?
C5_12 C6_12 H6_12 119.5 . . ?
C12_12 C7_12 C8_12 119.2(4) . . ?
C12_12 C7_12 C1_12 120.3(4) . . ?
C8_12 C7_12 C1_12 120.5(4) . . ?
C9_12 C8_12 C7_12 120.6(5) . . ?
C9_12 C8_12 H8_12 119.7 . . ?
C7_12 C8_12 H8_12 119.7 . . ?
C8_12 C9_12 C10_12 120.1(4) . . ?
C8_12 C9_12 H9_12 120.0 . . ?
C10_12 C9_12 H9_12 120.0 . . ?
C11_12 C10_12 C9_12 119.1(5) . . ?
C11_12 C10_12 C13_12 119.9(5) . . ?
C9_12 C10_12 C13_12 120.9(5) . . ?
C10_12 C11_12 C12_12 121.4(5) . . ?
C10_12 C11_12 H11_12 119.3 . . ?
C12_12 C11_12 H11_12 119.3 . . ?
C7_12 C12_12 C11_12 119.6(5) . . ?
C7_12 C12_12 H12_12 120.2 . . ?
C11_12 C12_12 H12_12 120.2 . . ?
O2_12 C13_12 O1_12 124.0(5) . . ?
O2_12 C13_12 C10_12 120.1(5) . . ?
O1_12 C13_12 C10_12 115.9(5) . . ?
C15_12 C14_12 C19_12 120.0(4) . . ?
C15_12 C14_12 C3_12 120.6(4) . . ?
C19_12 C14_12 C3_12 119.4(4) . . ?
C14_12 C15_12 C16_12 120.4(5) . . ?
C14_12 C15_12 H15_12 119.8 . . ?
C16_12 C15_12 H15_12 119.8 . . ?
C15_12 C16_12 C17_12 119.9(5) . . ?
C15_12 C16_12 H16_12 120.0 . . ?
C17_12 C16_12 H16_12 120.0 . . ?
C16_12 C17_12 C18_12 119.8(5) . . ?
C16_12 C17_12 C20_12 120.9(4) . . ?
C18_12 C17_12 C20_12 119.3(4) . . ?
C19_12 C18_12 C17_12 119.8(5) . . ?
C19_12 C18_12 H18_12 120.1 . . ?
C17_12 C18_12 H18_12 120.1 . . ?
C18_12 C19_12 C14_12 120.0(4) . . ?
C18_12 C19_12 H19_12 120.0 . . ?
C14_12 C19_12 H19_12 120.0 . . ?
O4_12 C20_12 O3_12 124.6(5) . . ?
O4_12 C20_12 C17_12 119.9(5) . . ?
O3_12 C20_12 C17_12 115.4(5) . . ?
C26_12 C21_12 C22_12 118.3(4) . . ?
C26_12 C21_12 C5_12 120.5(4) . . ?
C22_12 C21_12 C5_12 121.1(4) . . ?
C23_12 C22_12 C21_12 120.3(4) . . ?
C23_12 C22_12 H22_12 119.8 . . ?
C21_12 C22_12 H22_12 119.8 . . ?
C22_12 C23_12 C24_12 120.0(4) . . ?
C22_12 C23_12 H23_12 120.0 . . ?
C24_12 C23_12 H23_12 120.0 . . ?
C25_12 C24_12 C23_12 119.9(4) . . ?
C25_12 C24_12 C27_12 120.5(5) . . ?
C23_12 C24_12 C27_12 119.6(4) . . ?
C24_12 C25_12 C26_12 119.8(5) . . ?
C24_12 C25_12 H25_12 120.1 . . ?
C26_12 C25_12 H25_12 120.1 . . ?
C25_12 C26_12 C21_12 121.6(5) . . ?
C25_12 C26_12 H26_12 119.2 . . ?
C21_12 C26_12 H26_12 119.2 . . ?
O6_12 C27_12 O5_12 125.1(4) . . ?
O6_12 C27_12 C24_12 116.9(5) . . ?
O5_12 C27_12 C24_12 118.0(5) . . ?
C13_12 O1_12 H1A_12 109.5 . . ?
C20_12 O3_12 H3A_12 109.5 . . ?
C27_12 O6_12 H6A_12 109.5 . . ?
C2_13 C1_13 C6_13 117.5(4) . . ?
C2_13 C1_13 C7_13 121.7(4) . . ?
C6_13 C1_13 C7_13 120.8(4) . . ?
C1_13 C2_13 C3_13 122.1(4) . . ?
C1_13 C2_13 H2_13 119.0 . . ?
C3_13 C2_13 H2_13 119.0 . . ?
C4_13 C3_13 C2_13 118.1(4) . . ?
C4_13 C3_13 C14_13 121.0(4) . . ?
C2_13 C3_13 C14_13 120.9(4) . . ?
C3_13 C4_13 C5_13 122.1(4) . . ?
C3_13 C4_13 H4_13 119.0 . . ?
C5_13 C4_13 H4_13 119.0 . . ?
C4_13 C5_13 C6_13 118.3(4) . . ?
C4_13 C5_13 C21_13 121.1(4) . . ?
C6_13 C5_13 C21_13 120.7(4) . . ?
C5_13 C6_13 C1_13 121.9(4) . . ?
C5_13 C6_13 H6_13 119.0 . . ?
C1_13 C6_13 H6_13 119.0 . . ?
C12_13 C7_13 C8_13 117.6(4) . . ?
C12_13 C7_13 C1_13 120.9(4) . . ?
C8_13 C7_13 C1_13 121.5(4) . . ?
C9_13 C8_13 C7_13 121.0(5) . . ?
C9_13 C8_13 H8_13 119.5 . . ?
C7_13 C8_13 H8_13 119.5 . . ?
C8_13 C9_13 C10_13 119.9(5) . . ?
C8_13 C9_13 H9_13 120.0 . . ?
C10_13 C9_13 H9_13 120.0 . . ?
C11_13 C10_13 C9_13 120.5(5) . . ?
C11_13 C10_13 C13_13 118.5(5) . . ?
C9_13 C10_13 C13_13 121.0(5) . . ?
C10_13 C11_13 C12_13 120.5(5) . . ?
C10_13 C11_13 H11_13 119.8 . . ?
C12_13 C11_13 H11_13 119.8 . . ?
C11_13 C12_13 C7_13 120.4(5) . . ?
C11_13 C12_13 H12_13 119.8 . . ?
C7_13 C12_13 H12_13 119.8 . . ?
O2_13 C13_13 O1_13 125.3(5) . . ?
O2_13 C13_13 C10_13 119.8(5) . . ?
O1_13 C13_13 C10_13 115.0(5) . . ?
C15_13 C14_13 C19_13 118.9(4) . . ?
C15_13 C14_13 C3_13 121.3(4) . . ?
C19_13 C14_13 C3_13 119.7(4) . . ?
C14_13 C15_13 C16_13 120.9(5) . . ?
C14_13 C15_13 H15_13 119.5 . . ?
C16_13 C15_13 H15_13 119.5 . . ?
C17_13 C16_13 C15_13 119.6(5) . . ?
C17_13 C16_13 H16_13 120.2 . . ?
C15_13 C16_13 H16_13 120.2 . . ?
C16_13 C17_13 C18_13 120.1(5) . . ?
C16_13 C17_13 C20_13 121.2(5) . . ?
C18_13 C17_13 C20_13 118.7(5) . . ?
C19_13 C18_13 C17_13 120.6(5) . . ?
C19_13 C18_13 H18_13 119.7 . . ?
C17_13 C18_13 H18_13 119.7 . . ?
C18_13 C19_13 C14_13 119.8(5) . . ?
C18_13 C19_13 H19_13 120.1 . . ?
C14_13 C19_13 H19_13 120.1 . . ?
O4_13 C20_13 O3_13 123.6(5) . . ?
O4_13 C20_13 C17_13 120.4(5) . . ?
O3_13 C20_13 C17_13 116.0(5) . . ?
C26_13 C21_13 C22_13 119.1(4) . . ?
C26_13 C21_13 C5_13 119.5(4) . . ?
C22_13 C21_13 C5_13 121.5(4) . . ?
C23_13 C22_13 C21_13 120.3(4) . . ?
C23_13 C22_13 H22_13 119.8 . . ?
C21_13 C22_13 H22_13 119.8 . . ?
C22_13 C23_13 C24_13 120.7(4) . . ?
C22_13 C23_13 H23_13 119.6 . . ?
C24_13 C23_13 H23_13 119.6 . . ?
C25_13 C24_13 C23_13 119.1(4) . . ?
C25_13 C24_13 C27_13 121.0(5) . . ?
C23_13 C24_13 C27_13 120.0(5) . . ?
C24_13 C25_13 C26_13 121.0(5) . . ?
C24_13 C25_13 H25_13 119.5 . . ?
C26_13 C25_13 H25_13 119.5 . . ?
C25_13 C26_13 C21_13 119.9(4) . . ?
C25_13 C26_13 H26_13 120.1 . . ?
C21_13 C26_13 H26_13 120.1 . . ?
O5_13 C27_13 O6_13 123.6(4) . . ?
O5_13 C27_13 C24_13 120.5(5) . . ?
O6_13 C27_13 C24_13 115.9(5) . . ?
C13_13 O1_13 H1A_13 109.5 . . ?
C20_13 O3_13 H3A_13 109.5 . . ?
C27_13 O6_13 H6A_13 109.5 . . ?
C6_14 C1_14 C2_14 118.4(4) . . ?
C6_14 C1_14 C7_14 121.2(4) . . ?
C2_14 C1_14 C7_14 120.4(4) . . ?
C3_14 C2_14 C1_14 121.3(4) . . ?
C3_14 C2_14 H2_14 119.3 . . ?
C1_14 C2_14 H2_14 119.3 . . ?
C2_14 C3_14 C4_14 118.9(4) . . ?
C2_14 C3_14 C14_14 120.8(4) . . ?
C4_14 C3_14 C14_14 120.3(4) . . ?
C5_14 C4_14 C3_14 121.6(4) . . ?
C5_14 C4_14 H4_14 119.2 . . ?
C3_14 C4_14 H4_14 119.2 . . ?
C4_14 C5_14 C6_14 118.2(4) . . ?
C4_14 C5_14 C21_14 121.4(4) . . ?
C6_14 C5_14 C21_14 120.4(4) . . ?
C1_14 C6_14 C5_14 121.4(4) . . ?
C1_14 C6_14 H6_14 119.3 . . ?
C5_14 C6_14 H6_14 119.3 . . ?
C8_14 C7_14 C12_14 118.1(4) . . ?
C8_14 C7_14 C1_14 120.4(4) . . ?
C12_14 C7_14 C1_14 121.5(4) . . ?
C7_14 C8_14 C9_14 121.3(4) . . ?
C7_14 C8_14 H8_14 119.4 . . ?
C9_14 C8_14 H8_14 119.4 . . ?
C10_14 C9_14 C8_14 119.7(4) . . ?
C10_14 C9_14 H9_14 120.1 . . ?
C8_14 C9_14 H9_14 120.1 . . ?
C9_14 C10_14 C11_14 119.9(4) . . ?
C9_14 C10_14 C13_14 118.9(4) . . ?
C11_14 C10_14 C13_14 121.1(4) . . ?
C12_14 C11_14 C10_14 120.1(4) . . ?
C12_14 C11_14 H11_14 119.9 . . ?
C10_14 C11_14 H11_14 119.9 . . ?
C11_14 C12_14 C7_14 120.9(4) . . ?
C11_14 C12_14 H12_14 119.6 . . ?
C7_14 C12_14 H12_14 119.6 . . ?
O1_14 C13_14 O2_14 123.3(4) . . ?
O1_14 C13_14 C10_14 119.6(4) . . ?
O2_14 C13_14 C10_14 117.1(4) . . ?
C19_14 C14_14 C15_14 117.4(4) . . ?
C19_14 C14_14 C3_14 122.6(4) . . ?
C15_14 C14_14 C3_14 120.0(4) . . ?
C16_14 C15_14 C14_14 121.4(4) . . ?
C16_14 C15_14 H15_14 119.3 . . ?
C14_14 C15_14 H15_14 119.3 . . ?
C15_14 C16_14 C17_14 119.5(4) . . ?
C15_14 C16_14 H16_14 120.2 . . ?
C17_14 C16_14 H16_14 120.2 . . ?
C18_14 C17_14 C16_14 120.3(4) . . ?
C18_14 C17_14 C20_14 121.1(4) . . ?
C16_14 C17_14 C20_14 118.6(4) . . ?
C17_14 C18_14 C19_14 119.7(4) . . ?
C17_14 C18_14 H18_14 120.2 . . ?
C19_14 C18_14 H18_14 120.2 . . ?
C18_14 C19_14 C14_14 121.6(4) . . ?
C18_14 C19_14 H19_14 119.2 . . ?
C14_14 C19_14 H19_14 119.2 . . ?
O3_14 C20_14 O4_14 123.2(4) . . ?
O3_14 C20_14 C17_14 119.5(5) . . ?
O4_14 C20_14 C17_14 117.3(4) . . ?
C26_14 C21_14 C22_14 119.9(4) . . ?
C26_14 C21_14 C5_14 120.3(4) . . ?
C22_14 C21_14 C5_14 119.8(4) . . ?
C23_14 C22_14 C21_14 119.3(4) . . ?
C23_14 C22_14 H22_14 120.4 . . ?
C21_14 C22_14 H22_14 120.4 . . ?
C24_14 C23_14 C22_14 120.6(5) . . ?
C24_14 C23_14 H23_14 119.7 . . ?
C22_14 C23_14 H23_14 119.7 . . ?
C23_14 C24_14 C25_14 120.6(4) . . ?
C23_14 C24_14 C27_14 119.1(4) . . ?
C25_14 C24_14 C27_14 120.3(5) . . ?
C26_14 C25_14 C24_14 119.6(5) . . ?
C26_14 C25_14 H25_14 120.2 . . ?
C24_14 C25_14 H25_14 120.2 . . ?
C25_14 C26_14 C21_14 120.0(5) . . ?
C25_14 C26_14 H26_14 120.0 . . ?
C21_14 C26_14 H26_14 120.0 . . ?
O5_14 C27_14 O6_14 124.2(5) . . ?
O5_14 C27_14 C24_14 118.8(5) . . ?
O6_14 C27_14 C24_14 117.0(5) . . ?
C13_14 O2_14 H2A_14 109.5 . . ?
C20_14 O4_14 H4A_14 109.5 . . ?
C27_14 O6_14 H6A_14 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6_1 C1_1 C2_1 C3_1 0.6(7) . . . . ?
C7_1 C1_1 C2_1 C3_1 177.9(4) . . . . ?
C1_1 C2_1 C3_1 C4_1 -1.7(7) . . . . ?
C1_1 C2_1 C3_1 C14_1 178.4(4) . . . . ?
C2_1 C3_1 C4_1 C5_1 1.8(7) . . . . ?
C14_1 C3_1 C4_1 C5_1 -178.3(4) . . . . ?
C3_1 C4_1 C5_1 C6_1 -0.9(7) . . . . ?
C3_1 C4_1 C5_1 C21_1 -179.8(4) . . . . ?
C4_1 C5_1 C6_1 C1_1 -0.2(7) . . . . ?
C21_1 C5_1 C6_1 C1_1 178.8(4) . . . . ?
C2_1 C1_1 C6_1 C5_1 0.3(7) . . . . ?
C7_1 C1_1 C6_1 C5_1 -177.0(4) . . . . ?
C6_1 C1_1 C7_1 C12_1 -36.6(7) . . . . ?
C2_1 C1_1 C7_1 C12_1 146.2(5) . . . . ?
C6_1 C1_1 C7_1 C8_1 142.7(5) . . . . ?
C2_1 C1_1 C7_1 C8_1 -34.6(6) . . . . ?
C12_1 C7_1 C8_1 C9_1 1.0(7) . . . . ?
C1_1 C7_1 C8_1 C9_1 -178.2(4) . . . . ?
C7_1 C8_1 C9_1 C10_1 0.1(7) . . . . ?
C8_1 C9_1 C10_1 C11_1 -1.2(7) . . . . ?
C8_1 C9_1 C10_1 C13_1 177.0(4) . . . . ?
C9_1 C10_1 C11_1 C12_1 1.3(7) . . . . ?
C13_1 C10_1 C11_1 C12_1 -176.9(4) . . . . ?
C8_1 C7_1 C12_1 C11_1 -1.0(7) . . . . ?
C1_1 C7_1 C12_1 C11_1 178.3(4) . . . . ?
C10_1 C11_1 C12_1 C7_1 -0.2(7) . . . . ?
C11_1 C10_1 C13_1 O1_1 174.5(5) . . . . ?
C9_1 C10_1 C13_1 O1_1 -3.6(7) . . . . ?
C11_1 C10_1 C13_1 O2_1 -4.4(7) . . . . ?
C9_1 C10_1 C13_1 O2_1 177.4(5) . . . . ?
C2_1 C3_1 C14_1 C19_1 -27.6(7) . . . . ?
C4_1 C3_1 C14_1 C19_1 152.5(5) . . . . ?
C2_1 C3_1 C14_1 C15_1 151.2(5) . . . . ?
C4_1 C3_1 C14_1 C15_1 -28.7(7) . . . . ?
C19_1 C14_1 C15_1 C16_1 -0.6(7) . . . . ?
C3_1 C14_1 C15_1 C16_1 -179.5(4) . . . . ?
C14_1 C15_1 C16_1 C17_1 0.7(7) . . . . ?
C15_1 C16_1 C17_1 C18_1 -0.2(7) . . . . ?
C15_1 C16_1 C17_1 C20_1 -179.8(5) . . . . ?
C16_1 C17_1 C18_1 C19_1 -0.3(7) . . . . ?
C20_1 C17_1 C18_1 C19_1 179.3(5) . . . . ?
C15_1 C14_1 C19_1 C18_1 0.1(7) . . . . ?
C3_1 C14_1 C19_1 C18_1 179.0(4) . . . . ?
C17_1 C18_1 C19_1 C14_1 0.3(8) . . . . ?
C18_1 C17_1 C20_1 O4_1 -5.0(8) . . . . ?
C16_1 C17_1 C20_1 O4_1 174.6(5) . . . . ?
C18_1 C17_1 C20_1 O3_1 175.5(4) . . . . ?
C16_1 C17_1 C20_1 O3_1 -5.0(7) . . . . ?
C6_1 C5_1 C21_1 C26_1 -139.4(5) . . . . ?
C4_1 C5_1 C21_1 C26_1 39.5(6) . . . . ?
C6_1 C5_1 C21_1 C22_1 40.0(6) . . . . ?
C4_1 C5_1 C21_1 C22_1 -141.1(5) . . . . ?
C26_1 C21_1 C22_1 C23_1 0.1(7) . . . . ?
C5_1 C21_1 C22_1 C23_1 -179.2(4) . . . . ?
C21_1 C22_1 C23_1 C24_1 0.8(7) . . . . ?
C22_1 C23_1 C24_1 C25_1 -1.3(7) . . . . ?
C22_1 C23_1 C24_1 C27_1 179.1(4) . . . . ?
C23_1 C24_1 C25_1 C26_1 0.8(7) . . . . ?
C27_1 C24_1 C25_1 C26_1 -179.6(4) . . . . ?
C24_1 C25_1 C26_1 C21_1 0.1(7) . . . . ?
C22_1 C21_1 C26_1 C25_1 -0.6(7) . . . . ?
C5_1 C21_1 C26_1 C25_1 178.8(4) . . . . ?
C25_1 C24_1 C27_1 O6_1 6.6(7) . . . . ?
C23_1 C24_1 C27_1 O6_1 -173.8(5) . . . . ?
C25_1 C24_1 C27_1 O5_1 -174.7(5) . . . . ?
C23_1 C24_1 C27_1 O5_1 4.9(7) . . . . ?
C6_2 C1_2 C2_2 C3_2 -0.5(7) . . . . ?
C7_2 C1_2 C2_2 C3_2 178.9(4) . . . . ?
C1_2 C2_2 C3_2 C4_2 1.1(7) . . . . ?
C1_2 C2_2 C3_2 C14_2 -179.8(4) . . . . ?
C2_2 C3_2 C4_2 C5_2 -0.4(7) . . . . ?
C14_2 C3_2 C4_2 C5_2 -179.5(4) . . . . ?
C3_2 C4_2 C5_2 C6_2 -0.9(7) . . . . ?
C3_2 C4_2 C5_2 C21_2 177.9(4) . . . . ?
C4_2 C5_2 C6_2 C1_2 1.5(7) . . . . ?
C21_2 C5_2 C6_2 C1_2 -177.2(4) . . . . ?
C2_2 C1_2 C6_2 C5_2 -0.9(7) . . . . ?
C7_2 C1_2 C6_2 C5_2 179.8(4) . . . . ?
C2_2 C1_2 C7_2 C8_2 -28.2(7) . . . . ?
C6_2 C1_2 C7_2 C8_2 151.1(5) . . . . ?
C2_2 C1_2 C7_2 C12_2 150.7(4) . . . . ?
C6_2 C1_2 C7_2 C12_2 -30.0(7) . . . . ?
C12_2 C7_2 C8_2 C9_2 0.8(7) . . . . ?
C1_2 C7_2 C8_2 C9_2 179.7(4) . . . . ?
C7_2 C8_2 C9_2 C10_2 -1.1(7) . . . . ?
C8_2 C9_2 C10_2 C11_2 0.8(7) . . . . ?
C8_2 C9_2 C10_2 C13_2 180.0(5) . . . . ?
C9_2 C10_2 C11_2 C12_2 -0.2(7) . . . . ?
C13_2 C10_2 C11_2 C12_2 -179.3(5) . . . . ?
C10_2 C11_2 C12_2 C7_2 -0.1(7) . . . . ?
C8_2 C7_2 C12_2 C11_2 -0.2(7) . . . . ?
C1_2 C7_2 C12_2 C11_2 -179.1(4) . . . . ?
C11_2 C10_2 C13_2 O1_2 172.6(5) . . . . ?
C9_2 C10_2 C13_2 O1_2 -6.5(8) . . . . ?
C11_2 C10_2 C13_2 O2_2 -6.3(7) . . . . ?
C9_2 C10_2 C13_2 O2_2 174.6(4) . . . . ?
C2_2 C3_2 C14_2 C15_2 147.1(4) . . . . ?
C4_2 C3_2 C14_2 C15_2 -33.9(6) . . . . ?
C2_2 C3_2 C14_2 C19_2 -33.0(6) . . . . ?
C4_2 C3_2 C14_2 C19_2 146.1(4) . . . . ?
C19_2 C14_2 C15_2 C16_2 -1.6(7) . . . . ?
C3_2 C14_2 C15_2 C16_2 178.4(4) . . . . ?
C14_2 C15_2 C16_2 C17_2 0.5(7) . . . . ?
C15_2 C16_2 C17_2 C18_2 1.1(7) . . . . ?
C15_2 C16_2 C17_2 C20_2 -178.6(4) . . . . ?
C16_2 C17_2 C18_2 C19_2 -1.7(7) . . . . ?
C20_2 C17_2 C18_2 C19_2 178.1(4) . . . . ?
C17_2 C18_2 C19_2 C14_2 0.5(7) . . . . ?
C15_2 C14_2 C19_2 C18_2 1.1(7) . . . . ?
C3_2 C14_2 C19_2 C18_2 -178.9(4) . . . . ?
C16_2 C17_2 C20_2 O4_2 178.3(5) . . . . ?
C18_2 C17_2 C20_2 O4_2 -1.4(7) . . . . ?
C16_2 C17_2 C20_2 O3_2 -1.3(7) . . . . ?
C18_2 C17_2 C20_2 O3_2 179.0(4) . . . . ?
C4_2 C5_2 C21_2 C26_2 38.0(6) . . . . ?
C6_2 C5_2 C21_2 C26_2 -143.3(4) . . . . ?
C4_2 C5_2 C21_2 C22_2 -142.0(4) . . . . ?
C6_2 C5_2 C21_2 C22_2 36.7(6) . . . . ?
C26_2 C21_2 C22_2 C23_2 0.2(6) . . . . ?
C5_2 C21_2 C22_2 C23_2 -179.8(4) . . . . ?
C21_2 C22_2 C23_2 C24_2 -0.4(7) . . . . ?
C22_2 C23_2 C24_2 C25_2 0.1(7) . . . . ?
C22_2 C23_2 C24_2 C27_2 -179.0(4) . . . . ?
C23_2 C24_2 C25_2 C26_2 0.3(7) . . . . ?
C27_2 C24_2 C25_2 C26_2 179.4(4) . . . . ?
C22_2 C21_2 C26_2 C25_2 0.2(6) . . . . ?
C5_2 C21_2 C26_2 C25_2 -179.7(4) . . . . ?
C24_2 C25_2 C26_2 C21_2 -0.5(7) . . . . ?
C23_2 C24_2 C27_2 O5_2 0.3(7) . . . . ?
C25_2 C24_2 C27_2 O5_2 -178.8(5) . . . . ?
C23_2 C24_2 C27_2 O6_2 -179.7(4) . . . . ?
C25_2 C24_2 C27_2 O6_2 1.2(7) . . . . ?
C6_3 C1_3 C2_3 C3_3 0.4(7) . . . . ?
C7_3 C1_3 C2_3 C3_3 -179.9(4) . . . . ?
C1_3 C2_3 C3_3 C4_3 0.7(7) . . . . ?
C1_3 C2_3 C3_3 C14_3 178.5(4) . . . . ?
C2_3 C3_3 C4_3 C5_3 -1.4(7) . . . . ?
C14_3 C3_3 C4_3 C5_3 -179.3(4) . . . . ?
C3_3 C4_3 C5_3 C6_3 1.1(7) . . . . ?
C3_3 C4_3 C5_3 C21_3 179.8(4) . . . . ?
C4_3 C5_3 C6_3 C1_3 0.0(7) . . . . ?
C21_3 C5_3 C6_3 C1_3 -178.7(4) . . . . ?
C2_3 C1_3 C6_3 C5_3 -0.7(7) . . . . ?
C7_3 C1_3 C6_3 C5_3 179.6(4) . . . . ?
C2_3 C1_3 C7_3 C8_3 -26.2(7) . . . . ?
C6_3 C1_3 C7_3 C8_3 153.4(5) . . . . ?
C2_3 C1_3 C7_3 C12_3 154.2(4) . . . . ?
C6_3 C1_3 C7_3 C12_3 -26.1(7) . . . . ?
C12_3 C7_3 C8_3 C9_3 0.2(7) . . . . ?
C1_3 C7_3 C8_3 C9_3 -179.4(4) . . . . ?
C7_3 C8_3 C9_3 C10_3 1.1(7) . . . . ?
C8_3 C9_3 C10_3 C11_3 -0.6(7) . . . . ?
C8_3 C9_3 C10_3 C13_3 178.5(5) . . . . ?
C9_3 C10_3 C11_3 C12_3 -1.2(7) . . . . ?
C13_3 C10_3 C11_3 C12_3 179.7(5) . . . . ?
C10_3 C11_3 C12_3 C7_3 2.5(7) . . . . ?
C8_3 C7_3 C12_3 C11_3 -2.0(7) . . . . ?
C1_3 C7_3 C12_3 C11_3 177.6(4) . . . . ?
C9_3 C10_3 C13_3 O1_3 -2.8(8) . . . . ?
C11_3 C10_3 C13_3 O1_3 176.4(5) . . . . ?
C9_3 C10_3 C13_3 O2_3 178.3(4) . . . . ?
C11_3 C10_3 C13_3 O2_3 -2.6(7) . . . . ?
C4_3 C3_3 C14_3 C15_3 -31.8(7) . . . . ?
C2_3 C3_3 C14_3 C15_3 150.4(5) . . . . ?
C4_3 C3_3 C14_3 C19_3 151.1(5) . . . . ?
C2_3 C3_3 C14_3 C19_3 -26.7(7) . . . . ?
C19_3 C14_3 C15_3 C16_3 -0.8(7) . . . . ?
C3_3 C14_3 C15_3 C16_3 -178.0(4) . . . . ?
C14_3 C15_3 C16_3 C17_3 -0.4(7) . . . . ?
C15_3 C16_3 C17_3 C18_3 0.6(7) . . . . ?
C15_3 C16_3 C17_3 C20_3 -178.3(4) . . . . ?
C16_3 C17_3 C18_3 C19_3 0.5(8) . . . . ?
C20_3 C17_3 C18_3 C19_3 179.4(5) . . . . ?
C17_3 C18_3 C19_3 C14_3 -1.8(8) . . . . ?
C15_3 C14_3 C19_3 C18_3 1.9(7) . . . . ?
C3_3 C14_3 C19_3 C18_3 179.1(4) . . . . ?
C18_3 C17_3 C20_3 O3_3 175.4(5) . . . . ?
C16_3 C17_3 C20_3 O3_3 -5.8(7) . . . . ?
C18_3 C17_3 C20_3 O4_3 -3.8(7) . . . . ?
C16_3 C17_3 C20_3 O4_3 175.1(5) . . . . ?
C6_3 C5_3 C21_3 C26_3 -144.3(4) . . . . ?
C4_3 C5_3 C21_3 C26_3 37.0(6) . . . . ?
C6_3 C5_3 C21_3 C22_3 35.0(6) . . . . ?
C4_3 C5_3 C21_3 C22_3 -143.6(4) . . . . ?
C26_3 C21_3 C22_3 C23_3 -0.5(7) . . . . ?
C5_3 C21_3 C22_3 C23_3 -179.8(4) . . . . ?
C21_3 C22_3 C23_3 C24_3 0.9(7) . . . . ?
C22_3 C23_3 C24_3 C25_3 -0.2(7) . . . . ?
C22_3 C23_3 C24_3 C27_3 -179.9(4) . . . . ?
C23_3 C24_3 C25_3 C26_3 -0.9(7) . . . . ?
C27_3 C24_3 C25_3 C26_3 178.8(4) . . . . ?
C24_3 C25_3 C26_3 C21_3 1.3(7) . . . . ?
C22_3 C21_3 C26_3 C25_3 -0.6(7) . . . . ?
C5_3 C21_3 C26_3 C25_3 178.7(4) . . . . ?
C23_3 C24_3 C27_3 O5_3 6.6(8) . . . . ?
C25_3 C24_3 C27_3 O5_3 -173.0(5) . . . . ?
C23_3 C24_3 C27_3 O6_3 -173.5(5) . . . . ?
C25_3 C24_3 C27_3 O6_3 6.9(7) . . . . ?
C6_4 C1_4 C2_4 C3_4 0.4(6) . . . . ?
C7_4 C1_4 C2_4 C3_4 179.2(4) . . . . ?
C1_4 C2_4 C3_4 C4_4 -1.0(6) . . . . ?
C1_4 C2_4 C3_4 C14_4 179.7(4) . . . . ?
C2_4 C3_4 C4_4 C5_4 0.9(7) . . . . ?
C14_4 C3_4 C4_4 C5_4 -179.8(4) . . . . ?
C3_4 C4_4 C5_4 C6_4 -0.1(7) . . . . ?
C3_4 C4_4 C5_4 C21_4 179.6(4) . . . . ?
C4_4 C5_4 C6_4 C1_4 -0.6(6) . . . . ?
C21_4 C5_4 C6_4 C1_4 179.8(4) . . . . ?
C2_4 C1_4 C6_4 C5_4 0.4(6) . . . . ?
C7_4 C1_4 C6_4 C5_4 -178.3(4) . . . . ?
C2_4 C1_4 C7_4 C8_4 22.9(6) . . . . ?
C6_4 C1_4 C7_4 C8_4 -158.4(4) . . . . ?
C2_4 C1_4 C7_4 C12_4 -154.9(4) . . . . ?
C6_4 C1_4 C7_4 C12_4 23.8(7) . . . . ?
C12_4 C7_4 C8_4 C9_4 0.7(7) . . . . ?
C1_4 C7_4 C8_4 C9_4 -177.2(4) . . . . ?
C7_4 C8_4 C9_4 C10_4 0.0(7) . . . . ?
C8_4 C9_4 C10_4 C11_4 -1.5(7) . . . . ?
C8_4 C9_4 C10_4 C13_4 178.4(4) . . . . ?
C9_4 C10_4 C11_4 C12_4 2.2(7) . . . . ?
C13_4 C10_4 C11_4 C12_4 -177.8(4) . . . . ?
C10_4 C11_4 C12_4 C7_4 -1.4(7) . . . . ?
C8_4 C7_4 C12_4 C11_4 -0.1(7) . . . . ?
C1_4 C7_4 C12_4 C11_4 177.9(4) . . . . ?
C11_4 C10_4 C13_4 O2_4 2.2(7) . . . . ?
C9_4 C10_4 C13_4 O2_4 -177.7(4) . . . . ?
C11_4 C10_4 C13_4 O1_4 -178.7(4) . . . . ?
C9_4 C10_4 C13_4 O1_4 1.4(6) . . . . ?
C4_4 C3_4 C14_4 C19_4 143.6(4) . . . . ?
C2_4 C3_4 C14_4 C19_4 -37.2(6) . . . . ?
C4_4 C3_4 C14_4 C15_4 -38.4(6) . . . . ?
C2_4 C3_4 C14_4 C15_4 140.9(4) . . . . ?
C19_4 C14_4 C15_4 C16_4 -1.0(7) . . . . ?
C3_4 C14_4 C15_4 C16_4 -179.1(4) . . . . ?
C14_4 C15_4 C16_4 C17_4 -0.6(7) . . . . ?
C15_4 C16_4 C17_4 C18_4 1.0(7) . . . . ?
C15_4 C16_4 C17_4 C20_4 -179.5(4) . . . . ?
C16_4 C17_4 C18_4 C19_4 0.2(7) . . . . ?
C20_4 C17_4 C18_4 C19_4 -179.3(4) . . . . ?
C15_4 C14_4 C19_4 C18_4 2.2(7) . . . . ?
C3_4 C14_4 C19_4 C18_4 -179.7(4) . . . . ?
C17_4 C18_4 C19_4 C14_4 -1.8(7) . . . . ?
C18_4 C17_4 C20_4 O3_4 173.0(5) . . . . ?
C16_4 C17_4 C20_4 O3_4 -6.4(7) . . . . ?
C18_4 C17_4 C20_4 O4_4 -8.1(7) . . . . ?
C16_4 C17_4 C20_4 O4_4 172.4(4) . . . . ?
C6_4 C5_4 C21_4 C22_4 29.2(6) . . . . ?
C4_4 C5_4 C21_4 C22_4 -150.4(4) . . . . ?
C6_4 C5_4 C21_4 C26_4 -148.7(4) . . . . ?
C4_4 C5_4 C21_4 C26_4 31.7(6) . . . . ?
C26_4 C21_4 C22_4 C23_4 -0.8(7) . . . . ?
C5_4 C21_4 C22_4 C23_4 -178.8(4) . . . . ?
C21_4 C22_4 C23_4 C24_4 1.2(8) . . . . ?
C22_4 C23_4 C24_4 C25_4 -0.7(7) . . . . ?
C22_4 C23_4 C24_4 C27_4 179.9(5) . . . . ?
C23_4 C24_4 C25_4 C26_4 -0.1(7) . . . . ?
C27_4 C24_4 C25_4 C26_4 179.3(4) . . . . ?
C24_4 C25_4 C26_4 C21_4 0.5(7) . . . . ?
C22_4 C21_4 C26_4 C25_4 0.0(7) . . . . ?
C5_4 C21_4 C26_4 C25_4 177.9(4) . . . . ?
C23_4 C24_4 C27_4 O5_4 -175.9(5) . . . . ?
C25_4 C24_4 C27_4 O5_4 4.7(8) . . . . ?
C23_4 C24_4 C27_4 O6_4 3.8(7) . . . . ?
C25_4 C24_4 C27_4 O6_4 -175.6(5) . . . . ?
C6_5 C1_5 C2_5 C3_5 1.3(7) . . . . ?
C7_5 C1_5 C2_5 C3_5 -179.8(4) . . . . ?
C1_5 C2_5 C3_5 C4_5 -1.2(7) . . . . ?
C1_5 C2_5 C3_5 C14_5 178.2(4) . . . . ?
C2_5 C3_5 C4_5 C5_5 0.3(6) . . . . ?
C14_5 C3_5 C4_5 C5_5 -179.1(4) . . . . ?
C3_5 C4_5 C5_5 C6_5 0.6(7) . . . . ?
C3_5 C4_5 C5_5 C21_5 -178.6(4) . . . . ?
C4_5 C5_5 C6_5 C1_5 -0.6(7) . . . . ?
C21_5 C5_5 C6_5 C1_5 178.6(4) . . . . ?
C2_5 C1_5 C6_5 C5_5 -0.3(7) . . . . ?
C7_5 C1_5 C6_5 C5_5 -179.3(4) . . . . ?
C2_5 C1_5 C7_5 C12_5 -150.5(5) . . . . ?
C6_5 C1_5 C7_5 C12_5 28.5(7) . . . . ?
C2_5 C1_5 C7_5 C8_5 28.9(7) . . . . ?
C6_5 C1_5 C7_5 C8_5 -152.1(4) . . . . ?
C12_5 C7_5 C8_5 C9_5 -0.1(7) . . . . ?
C1_5 C7_5 C8_5 C9_5 -179.5(4) . . . . ?
C7_5 C8_5 C9_5 C10_5 0.6(7) . . . . ?
C8_5 C9_5 C10_5 C11_5 -0.4(7) . . . . ?
C8_5 C9_5 C10_5 C13_5 178.3(4) . . . . ?
C9_5 C10_5 C11_5 C12_5 -0.3(6) . . . . ?
C13_5 C10_5 C11_5 C12_5 -179.0(4) . . . . ?
C10_5 C11_5 C12_5 C7_5 0.8(7) . . . . ?
C8_5 C7_5 C12_5 C11_5 -0.6(7) . . . . ?
C1_5 C7_5 C12_5 C11_5 178.8(4) . . . . ?
C11_5 C10_5 C13_5 O2_5 4.4(7) . . . . ?
C9_5 C10_5 C13_5 O2_5 -174.3(5) . . . . ?
C11_5 C10_5 C13_5 O1_5 -175.4(4) . . . . ?
C9_5 C10_5 C13_5 O1_5 5.9(7) . . . . ?
C4_5 C3_5 C14_5 C15_5 -39.9(6) . . . . ?
C2_5 C3_5 C14_5 C15_5 140.7(4) . . . . ?
C4_5 C3_5 C14_5 C19_5 140.1(4) . . . . ?
C2_5 C3_5 C14_5 C19_5 -39.3(6) . . . . ?
C19_5 C14_5 C15_5 C16_5 0.3(6) . . . . ?
C3_5 C14_5 C15_5 C16_5 -179.7(4) . . . . ?
C14_5 C15_5 C16_5 C17_5 0.3(7) . . . . ?
C15_5 C16_5 C17_5 C18_5 -0.5(7) . . . . ?
C15_5 C16_5 C17_5 C20_5 -179.2(4) . . . . ?
C16_5 C17_5 C18_5 C19_5 0.0(7) . . . . ?
C20_5 C17_5 C18_5 C19_5 178.8(4) . . . . ?
C17_5 C18_5 C19_5 C14_5 0.7(7) . . . . ?
C15_5 C14_5 C19_5 C18_5 -0.8(6) . . . . ?
C3_5 C14_5 C19_5 C18_5 179.2(4) . . . . ?
C16_5 C17_5 C20_5 O4_5 178.1(5) . . . . ?
C18_5 C17_5 C20_5 O4_5 -0.6(7) . . . . ?
C16_5 C17_5 C20_5 O3_5 -3.1(7) . . . . ?
C18_5 C17_5 C20_5 O3_5 178.1(4) . . . . ?
C6_5 C5_5 C21_5 C26_5 -145.4(4) . . . . ?
C4_5 C5_5 C21_5 C26_5 33.7(6) . . . . ?
C6_5 C5_5 C21_5 C22_5 34.1(6) . . . . ?
C4_5 C5_5 C21_5 C22_5 -146.8(4) . . . . ?
C26_5 C21_5 C22_5 C23_5 -0.6(7) . . . . ?
C5_5 C21_5 C22_5 C23_5 179.9(4) . . . . ?
C21_5 C22_5 C23_5 C24_5 -0.4(7) . . . . ?
C22_5 C23_5 C24_5 C25_5 0.6(7) . . . . ?
C22_5 C23_5 C24_5 C27_5 -178.8(4) . . . . ?
C23_5 C24_5 C25_5 C26_5 0.1(7) . . . . ?
C27_5 C24_5 C25_5 C26_5 179.6(4) . . . . ?
C22_5 C21_5 C26_5 C25_5 1.4(7) . . . . ?
C5_5 C21_5 C26_5 C25_5 -179.1(4) . . . . ?
C24_5 C25_5 C26_5 C21_5 -1.2(7) . . . . ?
C23_5 C24_5 C27_5 O5_5 2.5(7) . . . . ?
C25_5 C24_5 C27_5 O5_5 -176.9(5) . . . . ?
C23_5 C24_5 C27_5 O6_5 -177.9(5) . . . . ?
C25_5 C24_5 C27_5 O6_5 2.6(7) . . . . ?
C6_6 C1_6 C2_6 C3_6 -0.9(7) . . . . ?
C7_6 C1_6 C2_6 C3_6 -178.6(4) . . . . ?
C1_6 C2_6 C3_6 C4_6 -0.2(6) . . . . ?
C1_6 C2_6 C3_6 C14_6 -179.8(4) . . . . ?
C2_6 C3_6 C4_6 C5_6 0.7(7) . . . . ?
C14_6 C3_6 C4_6 C5_6 -179.7(4) . . . . ?
C3_6 C4_6 C5_6 C6_6 0.0(7) . . . . ?
C3_6 C4_6 C5_6 C21_6 -179.3(4) . . . . ?
C2_6 C1_6 C6_6 C5_6 1.6(7) . . . . ?
C7_6 C1_6 C6_6 C5_6 179.2(4) . . . . ?
C4_6 C5_6 C6_6 C1_6 -1.2(7) . . . . ?
C21_6 C5_6 C6_6 C1_6 178.1(4) . . . . ?
C6_6 C1_6 C7_6 C12_6 30.0(6) . . . . ?
C2_6 C1_6 C7_6 C12_6 -152.5(4) . . . . ?
C6_6 C1_6 C7_6 C8_6 -150.7(4) . . . . ?
C2_6 C1_6 C7_6 C8_6 26.9(6) . . . . ?
C12_6 C7_6 C8_6 C9_6 -1.1(7) . . . . ?
C1_6 C7_6 C8_6 C9_6 179.5(4) . . . . ?
C7_6 C8_6 C9_6 C10_6 0.2(7) . . . . ?
C8_6 C9_6 C10_6 C11_6 0.6(7) . . . . ?
C8_6 C9_6 C10_6 C13_6 -178.1(4) . . . . ?
C9_6 C10_6 C11_6 C12_6 -0.5(7) . . . . ?
C13_6 C10_6 C11_6 C12_6 178.2(4) . . . . ?
C8_6 C7_6 C12_6 C11_6 1.2(7) . . . . ?
C1_6 C7_6 C12_6 C11_6 -179.4(4) . . . . ?
C10_6 C11_6 C12_6 C7_6 -0.5(7) . . . . ?
C11_6 C10_6 C13_6 O1_6 -174.2(5) . . . . ?
C9_6 C10_6 C13_6 O1_6 4.4(7) . . . . ?
C11_6 C10_6 C13_6 O2_6 5.8(7) . . . . ?
C9_6 C10_6 C13_6 O2_6 -175.5(4) . . . . ?
C2_6 C3_6 C14_6 C15_6 -147.0(4) . . . . ?
C4_6 C3_6 C14_6 C15_6 33.5(6) . . . . ?
C2_6 C3_6 C14_6 C19_6 32.4(6) . . . . ?
C4_6 C3_6 C14_6 C19_6 -147.1(4) . . . . ?
C19_6 C14_6 C15_6 C16_6 0.9(6) . . . . ?
C3_6 C14_6 C15_6 C16_6 -179.7(4) . . . . ?
C14_6 C15_6 C16_6 C17_6 -0.1(7) . . . . ?
C15_6 C16_6 C17_6 C18_6 -0.3(7) . . . . ?
C15_6 C16_6 C17_6 C20_6 178.7(4) . . . . ?
C16_6 C17_6 C18_6 C19_6 -0.1(7) . . . . ?
C20_6 C17_6 C18_6 C19_6 -179.1(4) . . . . ?
C15_6 C14_6 C19_6 C18_6 -1.3(6) . . . . ?
C3_6 C14_6 C19_6 C18_6 179.3(4) . . . . ?
C17_6 C18_6 C19_6 C14_6 0.9(7) . . . . ?
C18_6 C17_6 C20_6 O4_6 4.1(7) . . . . ?
C16_6 C17_6 C20_6 O4_6 -174.8(4) . . . . ?
C18_6 C17_6 C20_6 O3_6 -175.8(4) . . . . ?
C16_6 C17_6 C20_6 O3_6 5.2(7) . . . . ?
C4_6 C5_6 C21_6 C22_6 140.0(4) . . . . ?
C6_6 C5_6 C21_6 C22_6 -39.2(6) . . . . ?
C4_6 C5_6 C21_6 C26_6 -39.7(6) . . . . ?
C6_6 C5_6 C21_6 C26_6 141.0(4) . . . . ?
C26_6 C21_6 C22_6 C23_6 -0.3(7) . . . . ?
C5_6 C21_6 C22_6 C23_6 179.9(4) . . . . ?
C21_6 C22_6 C23_6 C24_6 0.3(7) . . . . ?
C22_6 C23_6 C24_6 C25_6 0.2(7) . . . . ?
C22_6 C23_6 C24_6 C27_6 179.4(4) . . . . ?
C23_6 C24_6 C25_6 C26_6 -0.5(7) . . . . ?
C27_6 C24_6 C25_6 C26_6 -179.7(4) . . . . ?
C24_6 C25_6 C26_6 C21_6 0.5(7) . . . . ?
C22_6 C21_6 C26_6 C25_6 0.0(6) . . . . ?
C5_6 C21_6 C26_6 C25_6 179.8(4) . . . . ?
C23_6 C24_6 C27_6 O5_6 -2.7(7) . . . . ?
C25_6 C24_6 C27_6 O5_6 176.5(5) . . . . ?
C23_6 C24_6 C27_6 O6_6 178.1(4) . . . . ?
C25_6 C24_6 C27_6 O6_6 -2.7(7) . . . . ?
C6_7 C1_7 C2_7 C3_7 -0.6(6) . . . . ?
C7_7 C1_7 C2_7 C3_7 180.0(4) . . . . ?
C1_7 C2_7 C3_7 C4_7 1.6(6) . . . . ?
C1_7 C2_7 C3_7 C14_7 -178.2(4) . . . . ?
C2_7 C3_7 C4_7 C5_7 -1.5(6) . . . . ?
C14_7 C3_7 C4_7 C5_7 178.3(4) . . . . ?
C3_7 C4_7 C5_7 C6_7 0.4(7) . . . . ?
C3_7 C4_7 C5_7 C21_7 -179.4(4) . . . . ?
C4_7 C5_7 C6_7 C1_7 0.7(6) . . . . ?
C21_7 C5_7 C6_7 C1_7 -179.5(4) . . . . ?
C2_7 C1_7 C6_7 C5_7 -0.6(6) . . . . ?
C7_7 C1_7 C6_7 C5_7 178.8(4) . . . . ?
C6_7 C1_7 C7_7 C8_7 -152.5(4) . . . . ?
C2_7 C1_7 C7_7 C8_7 26.9(6) . . . . ?
C6_7 C1_7 C7_7 C12_7 27.9(6) . . . . ?
C2_7 C1_7 C7_7 C12_7 -152.7(4) . . . . ?
C12_7 C7_7 C8_7 C9_7 -0.2(6) . . . . ?
C1_7 C7_7 C8_7 C9_7 -179.8(4) . . . . ?
C7_7 C8_7 C9_7 C10_7 -0.3(7) . . . . ?
C8_7 C9_7 C10_7 C11_7 0.7(6) . . . . ?
C8_7 C9_7 C10_7 C13_7 -180.0(4) . . . . ?
C9_7 C10_7 C11_7 C12_7 -0.6(6) . . . . ?
C13_7 C10_7 C11_7 C12_7 -179.9(4) . . . . ?
C10_7 C11_7 C12_7 C7_7 0.1(6) . . . . ?
C8_7 C7_7 C12_7 C11_7 0.3(6) . . . . ?
C1_7 C7_7 C12_7 C11_7 179.9(4) . . . . ?
C11_7 C10_7 C13_7 O1_7 -175.8(4) . . . . ?
C9_7 C10_7 C13_7 O1_7 4.9(7) . . . . ?
C11_7 C10_7 C13_7 O2_7 3.9(6) . . . . ?
C9_7 C10_7 C13_7 O2_7 -175.4(4) . . . . ?
C2_7 C3_7 C14_7 C15_7 -147.3(4) . . . . ?
C4_7 C3_7 C14_7 C15_7 32.9(6) . . . . ?
C2_7 C3_7 C14_7 C19_7 34.3(6) . . . . ?
C4_7 C3_7 C14_7 C19_7 -145.6(4) . . . . ?
C19_7 C14_7 C15_7 C16_7 -0.7(7) . . . . ?
C3_7 C14_7 C15_7 C16_7 -179.2(4) . . . . ?
C14_7 C15_7 C16_7 C17_7 0.7(7) . . . . ?
C15_7 C16_7 C17_7 C18_7 0.3(7) . . . . ?
C15_7 C16_7 C17_7 C20_7 178.7(4) . . . . ?
C16_7 C17_7 C18_7 C19_7 -1.3(7) . . . . ?
C20_7 C17_7 C18_7 C19_7 -179.7(4) . . . . ?
C17_7 C18_7 C19_7 C14_7 1.3(7) . . . . ?
C15_7 C14_7 C19_7 C18_7 -0.3(6) . . . . ?
C3_7 C14_7 C19_7 C18_7 178.2(4) . . . . ?
C18_7 C17_7 C20_7 O3_7 -171.4(4) . . . . ?
C16_7 C17_7 C20_7 O3_7 10.2(7) . . . . ?
C18_7 C17_7 C20_7 O4_7 8.2(7) . . . . ?
C16_7 C17_7 C20_7 O4_7 -170.2(4) . . . . ?
C4_7 C5_7 C21_7 C22_7 139.6(4) . . . . ?
C6_7 C5_7 C21_7 C22_7 -40.1(6) . . . . ?
C4_7 C5_7 C21_7 C26_7 -42.3(6) . . . . ?
C6_7 C5_7 C21_7 C26_7 138.0(4) . . . . ?
C26_7 C21_7 C22_7 C23_7 1.9(6) . . . . ?
C5_7 C21_7 C22_7 C23_7 -179.9(4) . . . . ?
C21_7 C22_7 C23_7 C24_7 -1.9(7) . . . . ?
C22_7 C23_7 C24_7 C25_7 0.9(7) . . . . ?
C22_7 C23_7 C24_7 C27_7 -179.8(4) . . . . ?
C23_7 C24_7 C25_7 C26_7 -0.1(7) . . . . ?
C27_7 C24_7 C25_7 C26_7 -179.3(4) . . . . ?
C24_7 C25_7 C26_7 C21_7 0.2(7) . . . . ?
C22_7 C21_7 C26_7 C25_7 -1.1(6) . . . . ?
C5_7 C21_7 C26_7 C25_7 -179.2(4) . . . . ?
C25_7 C24_7 C27_7 O6_7 -9.9(7) . . . . ?
C23_7 C24_7 C27_7 O6_7 170.8(4) . . . . ?
C25_7 C24_7 C27_7 O5_7 169.4(4) . . . . ?
C23_7 C24_7 C27_7 O5_7 -9.8(6) . . . . ?
C6_8 C1_8 C2_8 C3_8 1.1(7) . . . . ?
C7_8 C1_8 C2_8 C3_8 -179.6(4) . . . . ?
C1_8 C2_8 C3_8 C4_8 -1.7(7) . . . . ?
C1_8 C2_8 C3_8 C14_8 179.1(4) . . . . ?
C2_8 C3_8 C4_8 C5_8 0.3(7) . . . . ?
C14_8 C3_8 C4_8 C5_8 179.5(4) . . . . ?
C3_8 C4_8 C5_8 C6_8 1.7(7) . . . . ?
C3_8 C4_8 C5_8 C21_8 -176.4(4) . . . . ?
C4_8 C5_8 C6_8 C1_8 -2.4(7) . . . . ?
C21_8 C5_8 C6_8 C1_8 175.6(4) . . . . ?
C2_8 C1_8 C6_8 C5_8 1.1(7) . . . . ?
C7_8 C1_8 C6_8 C5_8 -178.3(4) . . . . ?
C6_8 C1_8 C7_8 C12_8 27.9(7) . . . . ?
C2_8 C1_8 C7_8 C12_8 -151.4(5) . . . . ?
C6_8 C1_8 C7_8 C8_8 -152.3(4) . . . . ?
C2_8 C1_8 C7_8 C8_8 28.4(7) . . . . ?
C12_8 C7_8 C8_8 C9_8 -0.5(7) . . . . ?
C1_8 C7_8 C8_8 C9_8 179.7(4) . . . . ?
C7_8 C8_8 C9_8 C10_8 0.8(7) . . . . ?
C8_8 C9_8 C10_8 C11_8 -0.6(7) . . . . ?
C8_8 C9_8 C10_8 C13_8 179.6(4) . . . . ?
C9_8 C10_8 C11_8 C12_8 0.2(7) . . . . ?
C13_8 C10_8 C11_8 C12_8 180.0(4) . . . . ?
C10_8 C11_8 C12_8 C7_8 0.1(7) . . . . ?
C8_8 C7_8 C12_8 C11_8 0.1(7) . . . . ?
C1_8 C7_8 C12_8 C11_8 179.9(4) . . . . ?
C9_8 C10_8 C13_8 O1_8 5.2(7) . . . . ?
C11_8 C10_8 C13_8 O1_8 -174.5(5) . . . . ?
C9_8 C10_8 C13_8 O2_8 -176.2(4) . . . . ?
C11_8 C10_8 C13_8 O2_8 4.1(7) . . . . ?
C2_8 C3_8 C14_8 C19_8 36.2(7) . . . . ?
C4_8 C3_8 C14_8 C19_8 -143.0(5) . . . . ?
C2_8 C3_8 C14_8 C15_8 -143.8(5) . . . . ?
C4_8 C3_8 C14_8 C15_8 37.0(7) . . . . ?
C19_8 C14_8 C15_8 C16_8 -1.0(7) . . . . ?
C3_8 C14_8 C15_8 C16_8 179.1(4) . . . . ?
C14_8 C15_8 C16_8 C17_8 -0.2(7) . . . . ?
C15_8 C16_8 C17_8 C18_8 0.9(8) . . . . ?
C15_8 C16_8 C17_8 C20_8 -179.6(5) . . . . ?
C16_8 C17_8 C18_8 C19_8 -0.4(8) . . . . ?
C20_8 C17_8 C18_8 C19_8 -179.9(5) . . . . ?
C17_8 C18_8 C19_8 C14_8 -0.8(8) . . . . ?
C15_8 C14_8 C19_8 C18_8 1.5(7) . . . . ?
C3_8 C14_8 C19_8 C18_8 -178.6(5) . . . . ?
C18_8 C17_8 C20_8 O4_8 2.4(8) . . . . ?
C16_8 C17_8 C20_8 O4_8 -177.0(5) . . . . ?
C18_8 C17_8 C20_8 O3_8 -176.1(5) . . . . ?
C16_8 C17_8 C20_8 O3_8 4.5(8) . . . . ?
C6_8 C5_8 C21_8 C26_8 138.0(5) . . . . ?
C4_8 C5_8 C21_8 C26_8 -44.0(6) . . . . ?
C6_8 C5_8 C21_8 C22_8 -42.0(6) . . . . ?
C4_8 C5_8 C21_8 C22_8 136.0(5) . . . . ?
C26_8 C21_8 C22_8 C23_8 -0.7(7) . . . . ?
C5_8 C21_8 C22_8 C23_8 179.3(4) . . . . ?
C21_8 C22_8 C23_8 C24_8 -0.1(7) . . . . ?
C22_8 C23_8 C24_8 C25_8 0.3(7) . . . . ?
C22_8 C23_8 C24_8 C27_8 -179.9(4) . . . . ?
C23_8 C24_8 C25_8 C26_8 0.2(7) . . . . ?
C27_8 C24_8 C25_8 C26_8 -179.6(5) . . . . ?
C22_8 C21_8 C26_8 C25_8 1.2(7) . . . . ?
C5_8 C21_8 C26_8 C25_8 -178.8(4) . . . . ?
C24_8 C25_8 C26_8 C21_8 -0.9(7) . . . . ?
C23_8 C24_8 C27_8 O5_8 -5.4(8) . . . . ?
C25_8 C24_8 C27_8 O5_8 174.4(5) . . . . ?
C23_8 C24_8 C27_8 O6_8 172.9(5) . . . . ?
C25_8 C24_8 C27_8 O6_8 -7.3(7) . . . . ?
C6_9 C1_9 C2_9 C3_9 1.1(6) . . . . ?
C7_9 C1_9 C2_9 C3_9 -179.2(4) . . . . ?
C1_9 C2_9 C3_9 C4_9 -1.5(6) . . . . ?
C1_9 C2_9 C3_9 C14_9 177.3(4) . . . . ?
C2_9 C3_9 C4_9 C5_9 1.0(6) . . . . ?
C14_9 C3_9 C4_9 C5_9 -177.8(4) . . . . ?
C3_9 C4_9 C5_9 C6_9 -0.2(6) . . . . ?
C3_9 C4_9 C5_9 C21_9 179.3(4) . . . . ?
C4_9 C5_9 C6_9 C1_9 -0.2(6) . . . . ?
C21_9 C5_9 C6_9 C1_9 -179.6(4) . . . . ?
C2_9 C1_9 C6_9 C5_9 -0.3(6) . . . . ?
C7_9 C1_9 C6_9 C5_9 -180.0(4) . . . . ?
C6_9 C1_9 C7_9 C8_9 -149.5(4) . . . . ?
C2_9 C1_9 C7_9 C8_9 30.9(6) . . . . ?
C6_9 C1_9 C7_9 C12_9 28.8(6) . . . . ?
C2_9 C1_9 C7_9 C12_9 -150.8(4) . . . . ?
C12_9 C7_9 C8_9 C9_9 0.3(7) . . . . ?
C1_9 C7_9 C8_9 C9_9 178.7(4) . . . . ?
C7_9 C8_9 C9_9 C10_9 -0.6(7) . . . . ?
C8_9 C9_9 C10_9 C11_9 0.6(7) . . . . ?
C8_9 C9_9 C10_9 C13_9 179.2(4) . . . . ?
C9_9 C10_9 C11_9 C12_9 -0.3(7) . . . . ?
C13_9 C10_9 C11_9 C12_9 -178.9(4) . . . . ?
C10_9 C11_9 C12_9 C7_9 0.1(7) . . . . ?
C8_9 C7_9 C12_9 C11_9 -0.1(7) . . . . ?
C1_9 C7_9 C12_9 C11_9 -178.4(4) . . . . ?
C11_9 C10_9 C13_9 O2_9 5.3(7) . . . . ?
C9_9 C10_9 C13_9 O2_9 -173.3(4) . . . . ?
C11_9 C10_9 C13_9 O1_9 -174.2(4) . . . . ?
C9_9 C10_9 C13_9 O1_9 7.2(7) . . . . ?
C4_9 C3_9 C14_9 C15_9 -38.5(6) . . . . ?
C2_9 C3_9 C14_9 C15_9 142.7(4) . . . . ?
C4_9 C3_9 C14_9 C19_9 140.8(4) . . . . ?
C2_9 C3_9 C14_9 C19_9 -38.0(6) . . . . ?
C19_9 C14_9 C15_9 C16_9 1.0(6) . . . . ?
C3_9 C14_9 C15_9 C16_9 -179.7(4) . . . . ?
C14_9 C15_9 C16_9 C17_9 -0.6(7) . . . . ?
C15_9 C16_9 C17_9 C18_9 -0.2(7) . . . . ?
C15_9 C16_9 C17_9 C20_9 -179.5(4) . . . . ?
C16_9 C17_9 C18_9 C19_9 0.6(7) . . . . ?
C20_9 C17_9 C18_9 C19_9 179.8(4) . . . . ?
C17_9 C18_9 C19_9 C14_9 -0.2(7) . . . . ?
C15_9 C14_9 C19_9 C18_9 -0.6(6) . . . . ?
C3_9 C14_9 C19_9 C18_9 -179.9(4) . . . . ?
C18_9 C17_9 C20_9 O4_9 -0.4(7) . . . . ?
C16_9 C17_9 C20_9 O4_9 178.8(4) . . . . ?
C18_9 C17_9 C20_9 O3_9 179.7(4) . . . . ?
C16_9 C17_9 C20_9 O3_9 -1.0(7) . . . . ?
C4_9 C5_9 C21_9 C22_9 -144.5(4) . . . . ?
C6_9 C5_9 C21_9 C22_9 35.0(6) . . . . ?
C4_9 C5_9 C21_9 C26_9 36.1(6) . . . . ?
C6_9 C5_9 C21_9 C26_9 -144.5(4) . . . . ?
C26_9 C21_9 C22_9 C23_9 -1.5(7) . . . . ?
C5_9 C21_9 C22_9 C23_9 179.1(4) . . . . ?
C21_9 C22_9 C23_9 C24_9 0.5(7) . . . . ?
C22_9 C23_9 C24_9 C25_9 1.0(7) . . . . ?
C22_9 C23_9 C24_9 C27_9 -178.2(4) . . . . ?
C23_9 C24_9 C25_9 C26_9 -1.5(7) . . . . ?
C27_9 C24_9 C25_9 C26_9 177.7(4) . . . . ?
C22_9 C21_9 C26_9 C25_9 1.0(6) . . . . ?
C5_9 C21_9 C26_9 C25_9 -179.6(4) . . . . ?
C24_9 C25_9 C26_9 C21_9 0.5(7) . . . . ?
C23_9 C24_9 C27_9 O5_9 1.8(7) . . . . ?
C25_9 C24_9 C27_9 O5_9 -177.4(4) . . . . ?
C23_9 C24_9 C27_9 O6_9 -177.4(4) . . . . ?
C25_9 C24_9 C27_9 O6_9 3.3(7) . . . . ?
C6_10 C1_10 C2_10 C3_10 0.3(6) . . . . ?
C7_10 C1_10 C2_10 C3_10 -179.9(4) . . . . ?
C1_10 C2_10 C3_10 C4_10 -0.5(6) . . . . ?
C1_10 C2_10 C3_10 C14_10 179.0(4) . . . . ?
C2_10 C3_10 C4_10 C5_10 1.1(7) . . . . ?
C14_10 C3_10 C4_10 C5_10 -178.5(4) . . . . ?
C3_10 C4_10 C5_10 C6_10 -1.5(6) . . . . ?
C3_10 C4_10 C5_10 C21_10 176.6(4) . . . . ?
C2_10 C1_10 C6_10 C5_10 -0.7(6) . . . . ?
C7_10 C1_10 C6_10 C5_10 179.5(4) . . . . ?
C4_10 C5_10 C6_10 C1_10 1.3(6) . . . . ?
C21_10 C5_10 C6_10 C1_10 -176.8(4) . . . . ?
C6_10 C1_10 C7_10 C8_10 -153.0(4) . . . . ?
C2_10 C1_10 C7_10 C8_10 27.3(6) . . . . ?
C6_10 C1_10 C7_10 C12_10 26.6(6) . . . . ?
C2_10 C1_10 C7_10 C12_10 -153.1(4) . . . . ?
C12_10 C7_10 C8_10 C9_10 -0.4(6) . . . . ?
C1_10 C7_10 C8_10 C9_10 179.3(4) . . . . ?
C7_10 C8_10 C9_10 C10_10 -0.9(7) . . . . ?
C8_10 C9_10 C10_10 C11_10 1.9(7) . . . . ?
C8_10 C9_10 C10_10 C13_10 -178.8(4) . . . . ?
C9_10 C10_10 C11_10 C12_10 -1.6(7) . . . . ?
C13_10 C10_10 C11_10 C12_10 179.0(4) . . . . ?
C10_10 C11_10 C12_10 C7_10 0.3(7) . . . . ?
C8_10 C7_10 C12_10 C11_10 0.7(6) . . . . ?
C1_10 C7_10 C12_10 C11_10 -179.0(4) . . . . ?
C9_10 C10_10 C13_10 O1_10 -177.2(4) . . . . ?
C11_10 C10_10 C13_10 O1_10 2.1(7) . . . . ?
C9_10 C10_10 C13_10 O2_10 2.6(7) . . . . ?
C11_10 C10_10 C13_10 O2_10 -178.1(4) . . . . ?
C4_10 C3_10 C14_10 C15_10 -39.5(6) . . . . ?
C2_10 C3_10 C14_10 C15_10 141.0(4) . . . . ?
C4_10 C3_10 C14_10 C19_10 140.7(4) . . . . ?
C2_10 C3_10 C14_10 C19_10 -38.9(6) . . . . ?
C19_10 C14_10 C15_10 C16_10 -0.2(7) . . . . ?
C3_10 C14_10 C15_10 C16_10 180.0(4) . . . . ?
C14_10 C15_10 C16_10 C17_10 0.3(7) . . . . ?
C15_10 C16_10 C17_10 C18_10 -0.1(7) . . . . ?
C15_10 C16_10 C17_10 C20_10 -178.3(5) . . . . ?
C16_10 C17_10 C18_10 C19_10 -0.2(7) . . . . ?
C20_10 C17_10 C18_10 C19_10 178.1(4) . . . . ?
C17_10 C18_10 C19_10 C14_10 0.3(7) . . . . ?
C15_10 C14_10 C19_10 C18_10 -0.1(7) . . . . ?
C3_10 C14_10 C19_10 C18_10 179.7(4) . . . . ?
C16_10 C17_10 C20_10 O4_10 175.2(5) . . . . ?
C18_10 C17_10 C20_10 O4_10 -3.0(7) . . . . ?
C16_10 C17_10 C20_10 O3_10 -5.4(7) . . . . ?
C18_10 C17_10 C20_10 O3_10 176.4(4) . . . . ?
C6_10 C5_10 C21_10 C26_10 -146.4(4) . . . . ?
C4_10 C5_10 C21_10 C26_10 35.5(6) . . . . ?
C6_10 C5_10 C21_10 C22_10 34.9(6) . . . . ?
C4_10 C5_10 C21_10 C22_10 -143.1(4) . . . . ?
C26_10 C21_10 C22_10 C23_10 -0.7(6) . . . . ?
C5_10 C21_10 C22_10 C23_10 177.9(4) . . . . ?
C21_10 C22_10 C23_10 C24_10 -0.3(7) . . . . ?
C22_10 C23_10 C24_10 C25_10 1.4(7) . . . . ?
C22_10 C23_10 C24_10 C27_10 -177.7(4) . . . . ?
C23_10 C24_10 C25_10 C26_10 -1.5(7) . . . . ?
C27_10 C24_10 C25_10 C26_10 177.6(4) . . . . ?
C22_10 C21_10 C26_10 C25_10 0.6(7) . . . . ?
C5_10 C21_10 C26_10 C25_10 -178.1(4) . . . . ?
C24_10 C25_10 C26_10 C21_10 0.5(7) . . . . ?
C23_10 C24_10 C27_10 O5_10 3.2(7) . . . . ?
C25_10 C24_10 C27_10 O5_10 -176.0(4) . . . . ?
C23_10 C24_10 C27_10 O6_10 -176.7(5) . . . . ?
C25_10 C24_10 C27_10 O6_10 4.1(7) . . . . ?
C6_11 C1_11 C2_11 C3_11 -0.7(6) . . . . ?
C7_11 C1_11 C2_11 C3_11 179.2(4) . . . . ?
C1_11 C2_11 C3_11 C4_11 2.1(6) . . . . ?
C1_11 C2_11 C3_11 C14_11 -178.0(4) . . . . ?
C2_11 C3_11 C4_11 C5_11 -1.5(6) . . . . ?
C14_11 C3_11 C4_11 C5_11 178.6(4) . . . . ?
C3_11 C4_11 C5_11 C6_11 -0.5(6) . . . . ?
C3_11 C4_11 C5_11 C21_11 -180.0(4) . . . . ?
C2_11 C1_11 C6_11 C5_11 -1.3(6) . . . . ?
C7_11 C1_11 C6_11 C5_11 178.7(4) . . . . ?
C4_11 C5_11 C6_11 C1_11 1.9(6) . . . . ?
C21_11 C5_11 C6_11 C1_11 -178.6(4) . . . . ?
C6_11 C1_11 C7_11 C8_11 153.8(4) . . . . ?
C2_11 C1_11 C7_11 C8_11 -26.1(6) . . . . ?
C6_11 C1_11 C7_11 C12_11 -26.3(6) . . . . ?
C2_11 C1_11 C7_11 C12_11 153.8(4) . . . . ?
C12_11 C7_11 C8_11 C9_11 -1.3(6) . . . . ?
C1_11 C7_11 C8_11 C9_11 178.6(4) . . . . ?
C7_11 C8_11 C9_11 C10_11 1.1(7) . . . . ?
C8_11 C9_11 C10_11 C11_11 -0.5(7) . . . . ?
C8_11 C9_11 C10_11 C13_11 -179.2(4) . . . . ?
C9_11 C10_11 C11_11 C12_11 0.1(6) . . . . ?
C13_11 C10_11 C11_11 C12_11 178.8(4) . . . . ?
C8_11 C7_11 C12_11 C11_11 0.8(6) . . . . ?
C1_11 C7_11 C12_11 C11_11 -179.0(4) . . . . ?
C10_11 C11_11 C12_11 C7_11 -0.3(6) . . . . ?
C11_11 C10_11 C13_11 O2_11 -3.3(7) . . . . ?
C9_11 C10_11 C13_11 O2_11 175.4(4) . . . . ?
C11_11 C10_11 C13_11 O1_11 177.7(4) . . . . ?
C9_11 C10_11 C13_11 O1_11 -3.7(6) . . . . ?
C2_11 C3_11 C14_11 C19_11 45.0(6) . . . . ?
C4_11 C3_11 C14_11 C19_11 -135.1(4) . . . . ?
C2_11 C3_11 C14_11 C15_11 -136.3(4) . . . . ?
C4_11 C3_11 C14_11 C15_11 43.5(6) . . . . ?
C19_11 C14_11 C15_11 C16_11 -3.2(6) . . . . ?
C3_11 C14_11 C15_11 C16_11 178.2(4) . . . . ?
C14_11 C15_11 C16_11 C17_11 3.4(7) . . . . ?
C15_11 C16_11 C17_11 C18_11 -1.8(7) . . . . ?
C15_11 C16_11 C17_11 C20_11 179.0(4) . . . . ?
C16_11 C17_11 C18_11 C19_11 0.0(7) . . . . ?
C20_11 C17_11 C18_11 C19_11 179.2(4) . . . . ?
C17_11 C18_11 C19_11 C14_11 0.1(7) . . . . ?
C15_11 C14_11 C19_11 C18_11 1.4(6) . . . . ?
C3_11 C14_11 C19_11 C18_11 -179.9(4) . . . . ?
C16_11 C17_11 C20_11 O3_11 6.3(7) . . . . ?
C18_11 C17_11 C20_11 O3_11 -172.9(4) . . . . ?
C16_11 C17_11 C20_11 O4_11 -173.9(4) . . . . ?
C18_11 C17_11 C20_11 O4_11 6.9(7) . . . . ?
C4_11 C5_11 C21_11 C26_11 -38.7(6) . . . . ?
C6_11 C5_11 C21_11 C26_11 141.8(4) . . . . ?
C4_11 C5_11 C21_11 C22_11 142.4(4) . . . . ?
C6_11 C5_11 C21_11 C22_11 -37.1(6) . . . . ?
C26_11 C21_11 C22_11 C23_11 -1.0(7) . . . . ?
C5_11 C21_11 C22_11 C23_11 177.9(4) . . . . ?
C21_11 C22_11 C23_11 C24_11 0.5(7) . . . . ?
C22_11 C23_11 C24_11 C25_11 -0.5(7) . . . . ?
C22_11 C23_11 C24_11 C27_11 -179.5(4) . . . . ?
C23_11 C24_11 C25_11 C26_11 1.0(7) . . . . ?
C27_11 C24_11 C25_11 C26_11 -180.0(4) . . . . ?
C22_11 C21_11 C26_11 C25_11 1.6(7) . . . . ?
C5_11 C21_11 C26_11 C25_11 -177.3(4) . . . . ?
C24_11 C25_11 C26_11 C21_11 -1.6(7) . . . . ?
C25_11 C24_11 C27_11 O6_11 -1.9(7) . . . . ?
C23_11 C24_11 C27_11 O6_11 177.1(5) . . . . ?
C25_11 C24_11 C27_11 O5_11 177.6(5) . . . . ?
C23_11 C24_11 C27_11 O5_11 -3.5(7) . . . . ?
C6_12 C1_12 C2_12 C3_12 0.8(7) . . . . ?
C7_12 C1_12 C2_12 C3_12 -179.3(4) . . . . ?
C1_12 C2_12 C3_12 C4_12 0.4(7) . . . . ?
C1_12 C2_12 C3_12 C14_12 -179.2(4) . . . . ?
C2_12 C3_12 C4_12 C5_12 -0.7(7) . . . . ?
C14_12 C3_12 C4_12 C5_12 178.9(4) . . . . ?
C3_12 C4_12 C5_12 C6_12 -0.2(7) . . . . ?
C3_12 C4_12 C5_12 C21_12 -179.6(4) . . . . ?
C2_12 C1_12 C6_12 C5_12 -1.8(7) . . . . ?
C7_12 C1_12 C6_12 C5_12 178.4(4) . . . . ?
C4_12 C5_12 C6_12 C1_12 1.5(7) . . . . ?
C21_12 C5_12 C6_12 C1_12 -179.1(4) . . . . ?
C2_12 C1_12 C7_12 C12_12 151.1(4) . . . . ?
C6_12 C1_12 C7_12 C12_12 -29.0(7) . . . . ?
C2_12 C1_12 C7_12 C8_12 -30.2(7) . . . . ?
C6_12 C1_12 C7_12 C8_12 149.7(4) . . . . ?
C12_12 C7_12 C8_12 C9_12 -1.4(7) . . . . ?
C1_12 C7_12 C8_12 C9_12 179.9(4) . . . . ?
C7_12 C8_12 C9_12 C10_12 0.6(7) . . . . ?
C8_12 C9_12 C10_12 C11_12 0.3(7) . . . . ?
C8_12 C9_12 C10_12 C13_12 -178.2(4) . . . . ?
C9_12 C10_12 C11_12 C12_12 -0.4(7) . . . . ?
C13_12 C10_12 C11_12 C12_12 178.2(4) . . . . ?
C8_12 C7_12 C12_12 C11_12 1.3(7) . . . . ?
C1_12 C7_12 C12_12 C11_12 180.0(4) . . . . ?
C10_12 C11_12 C12_12 C7_12 -0.4(7) . . . . ?
C11_12 C10_12 C13_12 O2_12 -4.4(7) . . . . ?
C9_12 C10_12 C13_12 O2_12 174.1(5) . . . . ?
C11_12 C10_12 C13_12 O1_12 175.7(4) . . . . ?
C9_12 C10_12 C13_12 O1_12 -5.8(7) . . . . ?
C4_12 C3_12 C14_12 C15_12 39.3(6) . . . . ?
C2_12 C3_12 C14_12 C15_12 -141.1(4) . . . . ?
C4_12 C3_12 C14_12 C19_12 -140.5(4) . . . . ?
C2_12 C3_12 C14_12 C19_12 39.1(6) . . . . ?
C19_12 C14_12 C15_12 C16_12 -0.5(7) . . . . ?
C3_12 C14_12 C15_12 C16_12 179.7(4) . . . . ?
C14_12 C15_12 C16_12 C17_12 0.5(7) . . . . ?
C15_12 C16_12 C17_12 C18_12 0.2(7) . . . . ?
C15_12 C16_12 C17_12 C20_12 -179.2(4) . . . . ?
C16_12 C17_12 C18_12 C19_12 -0.7(7) . . . . ?
C20_12 C17_12 C18_12 C19_12 178.6(4) . . . . ?
C17_12 C18_12 C19_12 C14_12 0.7(7) . . . . ?
C15_12 C14_12 C19_12 C18_12 -0.1(6) . . . . ?
C3_12 C14_12 C19_12 C18_12 179.7(4) . . . . ?
C16_12 C17_12 C20_12 O4_12 -178.0(4) . . . . ?
C18_12 C17_12 C20_12 O4_12 2.6(7) . . . . ?
C16_12 C17_12 C20_12 O3_12 -0.2(7) . . . . ?
C18_12 C17_12 C20_12 O3_12 -179.6(4) . . . . ?
C6_12 C5_12 C21_12 C26_12 144.0(4) . . . . ?
C4_12 C5_12 C21_12 C26_12 -36.6(6) . . . . ?
C6_12 C5_12 C21_12 C22_12 -33.8(6) . . . . ?
C4_12 C5_12 C21_12 C22_12 145.6(4) . . . . ?
C26_12 C21_12 C22_12 C23_12 1.8(7) . . . . ?
C5_12 C21_12 C22_12 C23_12 179.7(4) . . . . ?
C21_12 C22_12 C23_12 C24_12 -1.0(7) . . . . ?
C22_12 C23_12 C24_12 C25_12 0.0(7) . . . . ?
C22_12 C23_12 C24_12 C27_12 178.8(4) . . . . ?
C23_12 C24_12 C25_12 C26_12 0.3(7) . . . . ?
C27_12 C24_12 C25_12 C26_12 -178.5(4) . . . . ?
C24_12 C25_12 C26_12 C21_12 0.6(7) . . . . ?
C22_12 C21_12 C26_12 C25_12 -1.6(7) . . . . ?
C5_12 C21_12 C26_12 C25_12 -179.5(4) . . . . ?
C25_12 C24_12 C27_12 O6_12 -4.3(7) . . . . ?
C23_12 C24_12 C27_12 O6_12 176.9(5) . . . . ?
C25_12 C24_12 C27_12 O5_12 176.1(5) . . . . ?
C23_12 C24_12 C27_12 O5_12 -2.7(7) . . . . ?
C6_13 C1_13 C2_13 C3_13 -0.2(7) . . . . ?
C7_13 C1_13 C2_13 C3_13 -179.1(4) . . . . ?
C1_13 C2_13 C3_13 C4_13 0.2(7) . . . . ?
C1_13 C2_13 C3_13 C14_13 -179.1(4) . . . . ?
C2_13 C3_13 C4_13 C5_13 0.2(7) . . . . ?
C14_13 C3_13 C4_13 C5_13 179.4(4) . . . . ?
C3_13 C4_13 C5_13 C6_13 -0.5(7) . . . . ?
C3_13 C4_13 C5_13 C21_13 -179.8(4) . . . . ?
C4_13 C5_13 C6_13 C1_13 0.4(7) . . . . ?
C21_13 C5_13 C6_13 C1_13 179.7(4) . . . . ?
C2_13 C1_13 C6_13 C5_13 -0.1(7) . . . . ?
C7_13 C1_13 C6_13 C5_13 178.8(4) . . . . ?
C2_13 C1_13 C7_13 C12_13 151.2(4) . . . . ?
C6_13 C1_13 C7_13 C12_13 -27.6(7) . . . . ?
C2_13 C1_13 C7_13 C8_13 -30.3(7) . . . . ?
C6_13 C1_13 C7_13 C8_13 150.9(4) . . . . ?
C12_13 C7_13 C8_13 C9_13 -1.1(6) . . . . ?
C1_13 C7_13 C8_13 C9_13 -179.6(4) . . . . ?
C7_13 C8_13 C9_13 C10_13 -0.4(7) . . . . ?
C8_13 C9_13 C10_13 C11_13 1.5(7) . . . . ?
C8_13 C9_13 C10_13 C13_13 -178.3(4) . . . . ?
C9_13 C10_13 C11_13 C12_13 -1.2(7) . . . . ?
C13_13 C10_13 C11_13 C12_13 178.7(4) . . . . ?
C10_13 C11_13 C12_13 C7_13 -0.3(7) . . . . ?
C8_13 C7_13 C12_13 C11_13 1.4(6) . . . . ?
C1_13 C7_13 C12_13 C11_13 180.0(4) . . . . ?
C11_13 C10_13 C13_13 O2_13 -4.6(7) . . . . ?
C9_13 C10_13 C13_13 O2_13 175.3(5) . . . . ?
C11_13 C10_13 C13_13 O1_13 175.8(4) . . . . ?
C9_13 C10_13 C13_13 O1_13 -4.4(7) . . . . ?
C4_13 C3_13 C14_13 C15_13 40.0(6) . . . . ?
C2_13 C3_13 C14_13 C15_13 -140.8(4) . . . . ?
C4_13 C3_13 C14_13 C19_13 -140.1(4) . . . . ?
C2_13 C3_13 C14_13 C19_13 39.1(6) . . . . ?
C19_13 C14_13 C15_13 C16_13 0.2(6) . . . . ?
C3_13 C14_13 C15_13 C16_13 -179.9(4) . . . . ?
C14_13 C15_13 C16_13 C17_13 0.0(7) . . . . ?
C15_13 C16_13 C17_13 C18_13 0.3(7) . . . . ?
C15_13 C16_13 C17_13 C20_13 178.9(4) . . . . ?
C16_13 C17_13 C18_13 C19_13 -0.7(7) . . . . ?
C20_13 C17_13 C18_13 C19_13 -179.4(4) . . . . ?
C17_13 C18_13 C19_13 C14_13 0.9(7) . . . . ?
C15_13 C14_13 C19_13 C18_13 -0.6(6) . . . . ?
C3_13 C14_13 C19_13 C18_13 179.5(4) . . . . ?
C16_13 C17_13 C20_13 O4_13 -177.2(5) . . . . ?
C18_13 C17_13 C20_13 O4_13 1.4(7) . . . . ?
C16_13 C17_13 C20_13 O3_13 4.0(7) . . . . ?
C18_13 C17_13 C20_13 O3_13 -177.4(4) . . . . ?
C4_13 C5_13 C21_13 C26_13 -32.8(6) . . . . ?
C6_13 C5_13 C21_13 C26_13 147.9(4) . . . . ?
C4_13 C5_13 C21_13 C22_13 147.9(4) . . . . ?
C6_13 C5_13 C21_13 C22_13 -31.5(6) . . . . ?
C26_13 C21_13 C22_13 C23_13 0.5(7) . . . . ?
C5_13 C21_13 C22_13 C23_13 179.8(4) . . . . ?
C21_13 C22_13 C23_13 C24_13 -0.3(7) . . . . ?
C22_13 C23_13 C24_13 C25_13 0.2(7) . . . . ?
C22_13 C23_13 C24_13 C27_13 178.6(4) . . . . ?
C23_13 C24_13 C25_13 C26_13 -0.2(7) . . . . ?
C27_13 C24_13 C25_13 C26_13 -178.6(4) . . . . ?
C24_13 C25_13 C26_13 C21_13 0.4(7) . . . . ?
C22_13 C21_13 C26_13 C25_13 -0.5(7) . . . . ?
C5_13 C21_13 C26_13 C25_13 -179.9(4) . . . . ?
C25_13 C24_13 C27_13 O5_13 174.3(5) . . . . ?
C23_13 C24_13 C27_13 O5_13 -4.1(7) . . . . ?
C25_13 C24_13 C27_13 O6_13 -5.5(7) . . . . ?
C23_13 C24_13 C27_13 O6_13 176.1(4) . . . . ?
C6_14 C1_14 C2_14 C3_14 0.1(6) . . . . ?
C7_14 C1_14 C2_14 C3_14 -179.1(4) . . . . ?
C1_14 C2_14 C3_14 C4_14 -1.1(6) . . . . ?
C1_14 C2_14 C3_14 C14_14 178.3(4) . . . . ?
C2_14 C3_14 C4_14 C5_14 0.7(6) . . . . ?
C14_14 C3_14 C4_14 C5_14 -178.8(4) . . . . ?
C3_14 C4_14 C5_14 C6_14 0.8(6) . . . . ?
C3_14 C4_14 C5_14 C21_14 -179.8(4) . . . . ?
C2_14 C1_14 C6_14 C5_14 1.4(6) . . . . ?
C7_14 C1_14 C6_14 C5_14 -179.4(4) . . . . ?
C4_14 C5_14 C6_14 C1_14 -1.8(6) . . . . ?
C21_14 C5_14 C6_14 C1_14 178.8(4) . . . . ?
C6_14 C1_14 C7_14 C8_14 153.7(4) . . . . ?
C2_14 C1_14 C7_14 C8_14 -27.1(6) . . . . ?
C6_14 C1_14 C7_14 C12_14 -27.0(6) . . . . ?
C2_14 C1_14 C7_14 C12_14 152.2(4) . . . . ?
C12_14 C7_14 C8_14 C9_14 -0.7(6) . . . . ?
C1_14 C7_14 C8_14 C9_14 178.5(4) . . . . ?
C7_14 C8_14 C9_14 C10_14 0.9(7) . . . . ?
C8_14 C9_14 C10_14 C11_14 -0.5(6) . . . . ?
C8_14 C9_14 C10_14 C13_14 -179.1(4) . . . . ?
C9_14 C10_14 C11_14 C12_14 -0.1(6) . . . . ?
C13_14 C10_14 C11_14 C12_14 178.5(4) . . . . ?
C10_14 C11_14 C12_14 C7_14 0.2(6) . . . . ?
C8_14 C7_14 C12_14 C11_14 0.2(6) . . . . ?
C1_14 C7_14 C12_14 C11_14 -179.1(4) . . . . ?
C9_14 C10_14 C13_14 O1_14 -2.6(6) . . . . ?
C11_14 C10_14 C13_14 O1_14 178.9(4) . . . . ?
C9_14 C10_14 C13_14 O2_14 177.8(4) . . . . ?
C11_14 C10_14 C13_14 O2_14 -0.8(6) . . . . ?
C2_14 C3_14 C14_14 C19_14 -33.5(6) . . . . ?
C4_14 C3_14 C14_14 C19_14 145.9(4) . . . . ?
C2_14 C3_14 C14_14 C15_14 147.1(4) . . . . ?
C4_14 C3_14 C14_14 C15_14 -33.4(6) . . . . ?
C19_14 C14_14 C15_14 C16_14 -0.1(7) . . . . ?
C3_14 C14_14 C15_14 C16_14 179.2(4) . . . . ?
C14_14 C15_14 C16_14 C17_14 -1.4(7) . . . . ?
C15_14 C16_14 C17_14 C18_14 1.5(7) . . . . ?
C15_14 C16_14 C17_14 C20_14 -178.8(4) . . . . ?
C16_14 C17_14 C18_14 C19_14 0.0(7) . . . . ?
C20_14 C17_14 C18_14 C19_14 -179.7(4) . . . . ?
C17_14 C18_14 C19_14 C14_14 -1.6(7) . . . . ?
C15_14 C14_14 C19_14 C18_14 1.7(6) . . . . ?
C3_14 C14_14 C19_14 C18_14 -177.7(4) . . . . ?
C18_14 C17_14 C20_14 O3_14 172.7(5) . . . . ?
C16_14 C17_14 C20_14 O3_14 -7.0(7) . . . . ?
C18_14 C17_14 C20_14 O4_14 -8.2(7) . . . . ?
C16_14 C17_14 C20_14 O4_14 172.1(4) . . . . ?
C4_14 C5_14 C21_14 C26_14 42.0(6) . . . . ?
C6_14 C5_14 C21_14 C26_14 -138.6(4) . . . . ?
C4_14 C5_14 C21_14 C22_14 -138.3(4) . . . . ?
C6_14 C5_14 C21_14 C22_14 41.1(6) . . . . ?
C26_14 C21_14 C22_14 C23_14 -0.5(6) . . . . ?
C5_14 C21_14 C22_14 C23_14 179.7(4) . . . . ?
C21_14 C22_14 C23_14 C24_14 -0.1(7) . . . . ?
C22_14 C23_14 C24_14 C25_14 1.5(7) . . . . ?
C22_14 C23_14 C24_14 C27_14 -179.9(4) . . . . ?
C23_14 C24_14 C25_14 C26_14 -2.1(7) . . . . ?
C27_14 C24_14 C25_14 C26_14 179.3(4) . . . . ?
C24_14 C25_14 C26_14 C21_14 1.4(7) . . . . ?
C22_14 C21_14 C26_14 C25_14 -0.1(7) . . . . ?
C5_14 C21_14 C26_14 C25_14 179.7(4) . . . . ?
C23_14 C24_14 C27_14 O5_14 8.0(7) . . . . ?
C25_14 C24_14 C27_14 O5_14 -173.4(4) . . . . ?
C23_14 C24_14 C27_14 O6_14 -172.5(5) . . . . ?
C25_14 C24_14 C27_14 O6_14 6.1(7) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2_1 H2A_1 O4_8 0.84 1.78 2.608(5) 168.1 .
O3_1 H3A_1 O1_8 0.84 1.79 2.632(5) 177.2 3_455
O5_1 H5A_1 O5_8 0.84 1.81 2.638(5) 168.0 1_455
O2_2 H2A_2 O2_9 0.84 1.78 2.602(5) 167.6 3_455
O3_2 H3A_2 O5_9 0.84 1.80 2.627(4) 168.9 .
O6_2 H6A_2 O4_9 0.84 1.78 2.620(5) 172.9 1_455
O2_3 H2A_3 O1_10 0.84 1.78 2.596(5) 163.7 3_455
O4_3 H4A_3 O6_10 0.84 1.76 2.588(5) 167.5 .
O6_3 H6A_3 O4_10 0.84 1.77 2.610(5) 174.2 1_455
O1_4 H1A_4 O1_14 0.84 1.77 2.598(5) 167.1 2_656
O3_4 H3A_4 O5_14 0.84 1.77 2.597(4) 168.9 4_656
O6_4 H6A_4 O3_14 0.84 1.75 2.579(4) 170.7 4_556
O1_5 H1A_5 O2_13 0.84 1.78 2.597(5) 164.1 2_656
O3_5 H3A_5 O4_13 0.84 1.78 2.604(5) 167.2 4_656
O6_5 H6A_5 O5_13 0.84 1.78 2.613(4) 169.7 4_556
O2_6 H2A_6 O2_12 0.84 1.79 2.626(5) 171.4 2_656
O3_6 H3A_6 O5_12 0.84 1.78 2.611(4) 167.8 4_556
O6_6 H6A_6 O4_12 0.84 1.79 2.618(5) 167.5 4_656
O2_7 H2A_7 O2_11 0.84 1.80 2.639(4) 176.9 2_656
O4_7 H4A_7 O6_11 0.84 1.83 2.655(4) 168.3 4_556
O5_7 H5A_7 O3_11 0.84 1.79 2.594(4) 159.5 4_656
O2_8 H2A_8 O4_1 0.84 1.76 2.602(5) 175.3 3_544
O3_8 H3A_8 O1_1 0.84 1.80 2.635(4) 170.4 .
O6_8 H6A_8 O6_1 0.84 1.77 2.595(5) 167.0 1_655
O1_9 H1A_9 O1_2 0.84 1.77 2.602(5) 171.0 3_544
O3_9 H3A_9 O5_2 0.84 1.78 2.619(4) 173.8 1_655
O6_9 H6A_9 O4_2 0.84 1.77 2.601(4) 170.8 .
O2_10 H2A_10 O1_3 0.84 1.82 2.636(5) 165.3 3_544
O3_10 H3A_10 O5_3 0.84 1.81 2.646(5) 174.2 1_655
O5_10 H5A_10 O3_3 0.84 1.80 2.632(4) 168.7 .
O1_11 H1A_11 O1_7 0.84 1.76 2.597(5) 172.9 2_656
O4_11 H4A_11 O6_7 0.84 1.80 2.635(5) 170.6 4_646
O5_11 H5A_11 O3_7 0.84 1.77 2.603(4) 171.6 4_546
O1_12 H1A_12 O1_6 0.84 1.77 2.603(5) 172.7 2_656
O3_12 H3A_12 O5_6 0.84 1.77 2.606(5) 173.1 4_646
O6_12 H6A_12 O4_6 0.84 1.80 2.612(4) 161.5 4_546
O1_13 H1A_13 O2_5 0.84 1.79 2.623(5) 173.6 2_656
O3_13 H3A_13 O4_5 0.84 1.79 2.628(5) 173.1 4_646
O6_13 H6A_13 O5_5 0.84 1.77 2.598(4) 169.7 4_546
O2_14 H2A_14 O2_4 0.84 1.80 2.624(4) 168.7 2_656
O4_14 H4A_14 O5_4 0.84 1.80 2.634(4) 173.1 4_546
O6_14 H6A_14 O4_4 0.84 1.83 2.664(5) 171.9 4_646

_refine_diff_density_max         0.241
_refine_diff_density_min         -0.246
_refine_diff_density_rms         0.035


