# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_dot_csbarf
_audit_block_doi                 10.5517/ccdc.csd.cc26ghv1
_database_code_depnum_ccdc_archive 'CCDC 2039733'
loop_
_audit_author_name
_audit_author_address
'mengjia liu'
;University of South Florida 
United States of America
;
_audit_update_record             
;
2020-10-21 deposited with the CCDC.	2021-04-12 downloaded from the CCDC.
;
_audit_creation_date             2020-10-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C440 H820 Cs3 N100 O80 Si40, 3(C32 H12 B F24), 9(C2 N), 10.25(O)'
_chemical_formula_sum            'C554 H856 B3 Cs3 F72 N109 O90.25 Si40'
_chemical_formula_weight         13410.19
_chemical_absolute_configuration syn
_chemical_melting_point          ?
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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.7457 7.9052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   26.3005(16)
_cell_length_b                   46.071(3)
_cell_length_c                   30.4842(18)
_cell_angle_alpha                90
_cell_angle_beta                 91.290(4)
_cell_angle_gamma                90
_cell_volume                     36928(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9948
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      64.14
_cell_measurement_theta_min      3.46
_shelx_estimated_absorpt_T_max   0.706
_shelx_estimated_absorpt_T_min   0.240
_exptl_absorpt_coefficient_mu    2.499
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1658 before and 0.1143 after correction.
The Ratio of minimum to maximum transmission is 0.4865.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             14106
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0817
_diffrn_reflns_av_unetI/netI     0.0673
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            762378
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.024
_diffrn_reflns_theta_max         67.024
_diffrn_reflns_theta_min         2.395
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON II CPAD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'INCOATEC Imus micro-focus source'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.945
_reflns_Friedel_fraction_full    0.957
_reflns_Friedel_fraction_max     0.957
_reflns_number_gt                84330
_reflns_number_total             128052
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       'Apex3 V2019.1-0 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2014)'
_refine_diff_density_max         0.924
_refine_diff_density_min         -1.774
_refine_diff_density_rms         0.112
_refine_ls_abs_structure_details 
;
 Flack x determined using 30924 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.1340(14)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     9173
_refine_ls_number_reflns         128052
_refine_ls_number_restraints     14596
_refine_ls_R_factor_all          0.1252
_refine_ls_R_factor_gt           0.1013
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2578
_refine_ls_wR_factor_ref         0.2823
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups, All N(H) groups,
  All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C12_11 \\sim O13_11 \\sim C14_11 \\sim C15_11 \\sim C16_11 \\sim C17_11 \\sim
O18_11 \\sim Si19_11 \\sim C20_11 \\sim C21_11 \\sim C22_11 \\sim C23_11 \\sim
C24_11 \\sim C25_11 \\sim O26_11 \\sim Si27_11 \\sim C28_11 \\sim C29_11 \\sim
C30_11 \\sim C31_11 \\sim C32_11 \\sim C33_11 \\sim C12_12 \\sim O13_12 \\sim
C14_12 \\sim C15_12 \\sim C16_12 \\sim C17_12 \\sim O18_12 \\sim Si19_12 \\sim
C20_12 \\sim C21_12 \\sim C22_12 \\sim C23_12 \\sim C24_12 \\sim C25_12 \\sim
O26_12 \\sim Si27_12 \\sim C28_12 \\sim C29_12 \\sim C30_12 \\sim C31_12 \\sim
C32_12 \\sim C33_12 \\sim C12_13 \\sim O13_13 \\sim C14_13 \\sim C15_13 \\sim
C16_13 \\sim C17_13 \\sim O18_13 \\sim Si19_13 \\sim C20_13 \\sim C21_13 \\sim
C22_13 \\sim C23_13 \\sim C24_13 \\sim C25_13 \\sim O26_13 \\sim Si27_13 \\sim
C28_13 \\sim C29_13 \\sim C30_13 \\sim C31_13 \\sim C32_13 \\sim C33_13 \\sim
C12_14 \\sim O13_14 \\sim C14_14 \\sim C15_14 \\sim C16_14 \\sim C17_14 \\sim
O18_14 \\sim Si19_14 \\sim C20_14 \\sim C21_14 \\sim C22_14 \\sim C23_14 \\sim
C24_14 \\sim C25_14 \\sim O26_14 \\sim Si27_14 \\sim C28_14 \\sim C29_14 \\sim
C30_14 \\sim C31_14 \\sim C32_14 \\sim C33_14 \\sim C12_15 \\sim O13_15 \\sim
C14_15 \\sim C15_15 \\sim C16_15 \\sim C17_15 \\sim O18_15 \\sim Si19_15 \\sim
C20_15 \\sim C21_15 \\sim C22_15 \\sim C23_15 \\sim C24_15 \\sim C25_15 \\sim
O26_15 \\sim Si27_15 \\sim C28_15 \\sim C29_15 \\sim C30_15 \\sim C31_15 \\sim
C32_15 \\sim C33_15 \\sim C12_16 \\sim O13_16 \\sim C14_16 \\sim C15_16 \\sim
C16_16 \\sim C17_16 \\sim O18_16 \\sim Si19_16 \\sim C20_16 \\sim C21_16 \\sim
C22_16 \\sim C23_16 \\sim C24_16 \\sim C25_16 \\sim O26_16 \\sim Si27_16 \\sim
C28_16 \\sim C29_16 \\sim C30_16 \\sim C31_16 \\sim C32_16 \\sim C33_16 \\sim
C12_17 \\sim O13_17 \\sim C14_17 \\sim C15_17 \\sim C16_17 \\sim C17_17 \\sim
O18_17 \\sim Si19_17 \\sim C20_17 \\sim C21_17 \\sim C22_17 \\sim C23_17 \\sim
C24_17 \\sim C25_17 \\sim O26_17 \\sim Si27_17 \\sim C28_17 \\sim C29_17 \\sim
C30_17 \\sim C31_17 \\sim C32_17 \\sim C33_17 \\sim C12_18 \\sim O13_18 \\sim
C14_18 \\sim C15_18 \\sim C16_18 \\sim C17_18 \\sim O18_18 \\sim Si19_18 \\sim
C20_18 \\sim C21_18 \\sim C22_18 \\sim C23_18 \\sim C24_18 \\sim C25_18 \\sim
O26_18 \\sim Si27_18 \\sim C28_18 \\sim C29_18 \\sim C30_18 \\sim C31_18 \\sim
C32_18 \\sim C33_18 \\sim C12_19 \\sim O13_19 \\sim C14_19 \\sim C15_19 \\sim
C16_19 \\sim C17_19 \\sim O18_19 \\sim Si19_19 \\sim C20_19 \\sim C21_19 \\sim
C22_19 \\sim C23_19 \\sim C24_19 \\sim C25_19 \\sim O26_19 \\sim Si27_19 \\sim
C28_19 \\sim C29_19 \\sim C30_19 \\sim C31_19 \\sim C32_19 \\sim C33_19 \\sim
C12_20 \\sim O13_20 \\sim C14_20 \\sim C15_20 \\sim C16_20 \\sim C17_20 \\sim
O18_20 \\sim Si19_20 \\sim C20_20 \\sim C21_20 \\sim C22_20 \\sim C23_20 \\sim
C24_20 \\sim C25_20 \\sim O26_20 \\sim Si27_20 \\sim C28_20 \\sim C29_20 \\sim
C30_20 \\sim C31_20 \\sim C32_20 \\sim C33_20 \\sim C12_21 \\sim O13_21 \\sim
C14_21 \\sim C15_21 \\sim C16_21 \\sim C17_21 \\sim O18_21 \\sim Si19_21 \\sim
C20_21 \\sim C21_21 \\sim C22_21 \\sim C23_21 \\sim C24_21 \\sim C25_21 \\sim
O26_21 \\sim Si27_21 \\sim C28_21 \\sim C29_21 \\sim C30_21 \\sim C31_21 \\sim
C32_21 \\sim C33_21 \\sim C12_22 \\sim O13_22 \\sim C14_22 \\sim C15_22 \\sim
C16_22 \\sim C17_22 \\sim O18_22 \\sim Si19_22 \\sim C20_22 \\sim C21_22 \\sim
C22_22 \\sim C23_22 \\sim C24_22 \\sim C25_22 \\sim O26_22 \\sim Si27_22 \\sim
C28_22 \\sim C29_22 \\sim C30_22 \\sim C31_22 \\sim C32_22 \\sim C33_22 \\sim
C12_23 \\sim O13_23 \\sim C14_23 \\sim C15_23 \\sim C16_23 \\sim C17_23 \\sim
O18_23 \\sim Si19_23 \\sim C20_23 \\sim C21_23 \\sim C22_23 \\sim C23_23 \\sim
C24_23 \\sim C25_23 \\sim O26_23 \\sim Si27_23 \\sim C28_23 \\sim C29_23 \\sim
C30_23 \\sim C31_23 \\sim C32_23 \\sim C33_23 \\sim C12_24 \\sim O13_24 \\sim
C14_24 \\sim C15_24 \\sim C16_24 \\sim C17_24 \\sim O18_24 \\sim Si19_24 \\sim
C20_24 \\sim C21_24 \\sim C22_24 \\sim C23_24 \\sim C24_24 \\sim C25_24 \\sim
O26_24 \\sim Si27_24 \\sim C28_24 \\sim C29_24 \\sim C30_24 \\sim C31_24 \\sim
C32_24 \\sim C33_24 \\sim C12_25 \\sim O13_25 \\sim C14_25 \\sim C15_25 \\sim
C16_25 \\sim C17_25 \\sim O18_25 \\sim Si19_25 \\sim C20_25 \\sim C21_25 \\sim
C22_25 \\sim C23_25 \\sim C24_25 \\sim C25_25 \\sim O26_25 \\sim Si27_25 \\sim
C28_25 \\sim C29_25 \\sim C30_25 \\sim C31_25 \\sim C32_25 \\sim C33_25 \\sim
C12_26 \\sim O13_26 \\sim C14_26 \\sim C15_26 \\sim C16_26 \\sim C17_26 \\sim
O18_26 \\sim Si19_26 \\sim C20_26 \\sim C21_26 \\sim C22_26 \\sim C23_26 \\sim
C24_26 \\sim C25_26 \\sim O26_26 \\sim Si27_26 \\sim C28_26 \\sim C29_26 \\sim
C30_26 \\sim C31_26 \\sim C32_26 \\sim C33_26 \\sim C12_27 \\sim O13_27 \\sim
C14_27 \\sim C15_27 \\sim C16_27 \\sim C17_27 \\sim O18_27 \\sim Si19_27 \\sim
C20_27 \\sim C21_27 \\sim C22_27 \\sim C23_27 \\sim C24_27 \\sim C25_27 \\sim
O26_27 \\sim Si27_27 \\sim C28_27 \\sim C29_27 \\sim C30_27 \\sim C31_27 \\sim
C32_27 \\sim C33_27 \\sim C12_28 \\sim O13_28 \\sim C14_28 \\sim C15_28 \\sim
C16_28 \\sim C17_28 \\sim O18_28 \\sim Si19_28 \\sim C20_28 \\sim C21_28 \\sim
C22_28 \\sim C23_28 \\sim C24_28 \\sim C25_28 \\sim O26_28 \\sim Si27_28 \\sim
C28_28 \\sim C29_28 \\sim C30_28 \\sim C31_28 \\sim C32_28 \\sim C33_28 \\sim
C12_29 \\sim O13_29 \\sim C14_29 \\sim C15_29 \\sim C16_29 \\sim C17_29 \\sim
O18_29 \\sim Si19_29 \\sim C20_29 \\sim C21_29 \\sim C22_29 \\sim C23_29 \\sim
C24_29 \\sim C25_29 \\sim O26_29 \\sim Si27_29 \\sim C28_29 \\sim C29_29 \\sim
C30_29 \\sim C31_29 \\sim C32_29 \\sim C33_29 \\sim C12_30 \\sim O13_30 \\sim
C14_30 \\sim C15_30 \\sim C16_30 \\sim C17_30 \\sim O18_30 \\sim Si19_30 \\sim
C20_30 \\sim C21_30 \\sim C22_30 \\sim C23_30 \\sim C24_30 \\sim C25_30 \\sim
O26_30 \\sim Si27_30 \\sim C28_30 \\sim C29_30 \\sim C30_30 \\sim C31_30 \\sim
C32_30 \\sim C33_30: within 2A with sigma of 0.02 and sigma for terminal atoms
of 0.04
3. Rigid body (RIGU) restrains
 C12_11, O13_11, C14_11, C15_11, C16_11, C17_11, O18_11, Si19_11, C20_11,
 C21_11, C22_11, C23_11, C24_11, C25_11, O26_11, Si27_11, C28_11, C29_11,
 C30_11, C31_11, C32_11, C33_11
 C12_12, O13_12, C14_12, C15_12, C16_12, C17_12, O18_12, Si19_12, C20_12,
 C21_12, C22_12, C23_12, C24_12, C25_12, O26_12, Si27_12, C28_12, C29_12,
 C30_12, C31_12, C32_12, C33_12
 C12_13, O13_13, C14_13, C15_13, C16_13, C17_13, O18_13, Si19_13, C20_13,
 C21_13, C22_13, C23_13, C24_13, C25_13, O26_13, Si27_13, C28_13, C29_13,
 C30_13, C31_13, C32_13, C33_13
 C12_14, O13_14, C14_14, C15_14, C16_14, C17_14, O18_14, Si19_14, C20_14,
 C21_14, C22_14, C23_14, C24_14, C25_14, O26_14, Si27_14, C28_14, C29_14,
 C30_14, C31_14, C32_14, C33_14
 C12_15, O13_15, C14_15, C15_15, C16_15, C17_15, O18_15, Si19_15, C20_15,
 C21_15, C22_15, C23_15, C24_15, C25_15, O26_15, Si27_15, C28_15, C29_15,
 C30_15, C31_15, C32_15, C33_15
 C12_16, O13_16, C14_16, C15_16, C16_16, C17_16, O18_16, Si19_16, C20_16,
 C21_16, C22_16, C23_16, C24_16, C25_16, O26_16, Si27_16, C28_16, C29_16,
 C30_16, C31_16, C32_16, C33_16
 C12_17, O13_17, C14_17, C15_17, C16_17, C17_17, O18_17, Si19_17, C20_17,
 C21_17, C22_17, C23_17, C24_17, C25_17, O26_17, Si27_17, C28_17, C29_17,
 C30_17, C31_17, C32_17, C33_17
 C12_18, O13_18, C14_18, C15_18, C16_18, C17_18, O18_18, Si19_18, C20_18,
 C21_18, C22_18, C23_18, C24_18, C25_18, O26_18, Si27_18, C28_18, C29_18,
 C30_18, C31_18, C32_18, C33_18
 C12_19, O13_19, C14_19, C15_19, C16_19, C17_19, O18_19, Si19_19, C20_19,
 C21_19, C22_19, C23_19, C24_19, C25_19, O26_19, Si27_19, C28_19, C29_19,
 C30_19, C31_19, C32_19, C33_19
 C12_20, O13_20, C14_20, C15_20, C16_20, C17_20, O18_20, Si19_20, C20_20,
 C21_20, C22_20, C23_20, C24_20, C25_20, O26_20, Si27_20, C28_20, C29_20,
 C30_20, C31_20, C32_20, C33_20
 C12_21, O13_21, C14_21, C15_21, C16_21, C17_21, O18_21, Si19_21, C20_21,
 C21_21, C22_21, C23_21, C24_21, C25_21, O26_21, Si27_21, C28_21, C29_21,
 C30_21, C31_21, C32_21, C33_21
 C12_22, O13_22, C14_22, C15_22, C16_22, C17_22, O18_22, Si19_22, C20_22,
 C21_22, C22_22, C23_22, C24_22, C25_22, O26_22, Si27_22, C28_22, C29_22,
 C30_22, C31_22, C32_22, C33_22
 C12_23, O13_23, C14_23, C15_23, C16_23, C17_23, O18_23, Si19_23, C20_23,
 C21_23, C22_23, C23_23, C24_23, C25_23, O26_23, Si27_23, C28_23, C29_23,
 C30_23, C31_23, C32_23, C33_23
 C12_24, O13_24, C14_24, C15_24, C16_24, C17_24, O18_24, Si19_24, C20_24,
 C21_24, C22_24, C23_24, C24_24, C25_24, O26_24, Si27_24, C28_24, C29_24,
 C30_24, C31_24, C32_24, C33_24
 C12_25, O13_25, C14_25, C15_25, C16_25, C17_25, O18_25, Si19_25, C20_25,
 C21_25, C22_25, C23_25, C24_25, C25_25, O26_25, Si27_25, C28_25, C29_25,
 C30_25, C31_25, C32_25, C33_25
 C12_26, O13_26, C14_26, C15_26, C16_26, C17_26, O18_26, Si19_26, C20_26,
 C21_26, C22_26, C23_26, C24_26, C25_26, O26_26, Si27_26, C28_26, C29_26,
 C30_26, C31_26, C32_26, C33_26
 C12_27, O13_27, C14_27, C15_27, C16_27, C17_27, O18_27, Si19_27, C20_27,
 C21_27, C22_27, C23_27, C24_27, C25_27, O26_27, Si27_27, C28_27, C29_27,
 C30_27, C31_27, C32_27, C33_27
 C12_28, O13_28, C14_28, C15_28, C16_28, C17_28, O18_28, Si19_28, C20_28,
 C21_28, C22_28, C23_28, C24_28, C25_28, O26_28, Si27_28, C28_28, C29_28,
 C30_28, C31_28, C32_28, C33_28
 C12_29, O13_29, C14_29, C15_29, C16_29, C17_29, O18_29, Si19_29, C20_29,
 C21_29, C22_29, C23_29, C24_29, C25_29, O26_29, Si27_29, C28_29, C29_29,
 C30_29, C31_29, C32_29, C33_29
 C12_30, O13_30, C14_30, C15_30, C16_30, C17_30, O18_30, Si19_30, C20_30,
 C21_30, C22_30, C23_30, C24_30, C25_30, O26_30, Si27_30, C28_30, C29_30,
 C30_30, C31_30, C32_30, C33_30
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4. Others
 Sof(H15)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=
 Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=
 Sof(C32)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=
 1-FVAR(1)
 Sof(H15A)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=
 Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 FVAR(1)
 Sof(H17C)=Sof(H17D)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20D)=Sof(H20E)=Sof(H20F)=
 Sof(C21)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C22)=Sof(C23)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C24)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25)=Sof(H25D)=Sof(H25E)=
 Sof(H25F)=1-FVAR(2)
 Sof(H17A)=Sof(H17B)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=FVAR(2)
 Sof(H15A)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=
 Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=
 Sof(C32)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=
 1-FVAR(3)
 Sof(H15)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=
 Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 FVAR(3)
 Sof(H17C)=Sof(H17D)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20D)=Sof(H20E)=Sof(H20F)=
 Sof(C21)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C22)=Sof(C23)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C24)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25)=Sof(H25D)=Sof(H25E)=
 Sof(H25F)=1-FVAR(4)
 Sof(H17A)=Sof(H17B)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=FVAR(4)
 Sof(H15)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=
 Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 1-FVAR(5)
 Sof(H15A)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=
 Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=
 Sof(C32)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=
 FVAR(5)
 Sof(H17C)=Sof(H17D)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20D)=Sof(H20E)=Sof(H20F)=
 Sof(C21)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C22)=Sof(C23)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C24)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25)=Sof(H25D)=Sof(H25E)=
 Sof(H25F)=1-FVAR(6)
 Sof(H17A)=Sof(H17B)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=FVAR(6)
 Sof(H15A)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=
 Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=
 Sof(C32)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=
 1-FVAR(7)
 Sof(H15)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=
 Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 FVAR(7)
 Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=Sof(H29D)=Sof(H29E)=
 Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=Sof(C32)=Sof(H32D)=
 Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=1-FVAR(8)
 Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=Sof(H29A)=Sof(H29B)=
 Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=Sof(C32)=Sof(H32A)=
 Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=FVAR(8)
 Sof(H15A)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=
 Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=
 Sof(C32)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=
 1-FVAR(9)
 Sof(H15)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=
 Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 FVAR(9)
 Sof(H17C)=Sof(H17D)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20D)=Sof(H20E)=Sof(H20F)=
 Sof(C21)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C22)=Sof(C23)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C24)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25)=Sof(H25D)=Sof(H25E)=
 Sof(H25F)=1-FVAR(10)
 Sof(H17A)=Sof(H17B)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=FVAR(10)
 Sof(H15A)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=
 Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=
 Sof(C32)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=
 1-FVAR(11)
 Sof(H15)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=
 Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 FVAR(11)
 Sof(C14)=Sof(H14A)=Sof(H15A)=Sof(C17)=Sof(H17C)=Sof(H17D)=Sof(O18)=Sof(Si19)=
 Sof(C20)=Sof(H20D)=Sof(H20E)=Sof(H20F)=Sof(C21)=Sof(H21D)=Sof(H21E)=Sof(H21F)=
 Sof(C22)=Sof(C23)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24)=Sof(H24D)=Sof(H24E)=
 Sof(H24F)=Sof(C25)=Sof(H25D)=Sof(H25E)=Sof(H25F)=1-FVAR(12)
 Sof(C14)=Sof(H14)=Sof(H15)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(O18)=Sof(Si19)=
 Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=
 Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=
 Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=FVAR(12)
 Sof(H15A)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=
 Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=
 Sof(C32)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=
 1-FVAR(13)
 Sof(H15)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=
 Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 FVAR(13)
 Sof(H17C)=Sof(H17D)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20D)=Sof(H20E)=Sof(H20F)=
 Sof(C21)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C22)=Sof(C23)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C24)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25)=Sof(H25D)=Sof(H25E)=
 Sof(H25F)=1-FVAR(14)
 Sof(H17A)=Sof(H17B)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=FVAR(14)
 Sof(H17C)=Sof(H17D)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20D)=Sof(H20E)=Sof(H20F)=
 Sof(C21)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C22)=Sof(C23)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C24)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25)=Sof(H25D)=Sof(H25E)=
 Sof(H25F)=1-FVAR(15)
 Sof(H17A)=Sof(H17B)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=FVAR(15)
 Sof(H17C)=Sof(H17D)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20D)=Sof(H20E)=Sof(H20F)=
 Sof(C21)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C22)=Sof(C23)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C24)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25)=Sof(H25D)=Sof(H25E)=
 Sof(H25F)=1-FVAR(16)
 Sof(H17A)=Sof(H17B)=Sof(O18)=Sof(Si19)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=FVAR(16)
 Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=Sof(H29D)=Sof(H29E)=
 Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=Sof(C32)=Sof(H32D)=
 Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=1-FVAR(17)
 Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=Sof(H29A)=Sof(H29B)=
 Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=Sof(C32)=Sof(H32A)=
 Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=FVAR(17)
 Sof(H15A)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=
 Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 1-FVAR(18)
 Sof(H15)=Sof(O26)=Sof(Si27)=Sof(C28)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29)=
 Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30)=Sof(C31)=Sof(H31D)=Sof(H31E)=Sof(H31F)=
 Sof(C32)=Sof(H32D)=Sof(H32E)=Sof(H32F)=Sof(C33)=Sof(H33D)=Sof(H33E)=Sof(H33F)=
 FVAR(18)
 Fixed Sof: N(0.5) C1(0.5) C2(0.5) N(0.75) C1(0.75) C2(0.75) N(0.75) C1(0.75)
 C2(0.75) N(0.5) C1(0.5) C2(0.5) N(0.5) C1(0.5) C2(0.5) N(0.5) C1(0.5) C2(0.5)
 N(0.5) C1(0.5) C2(0.5) O(0.25)
5.a Ternary CH refined with riding coordinates:
 C12(H12), C14(H14), C15(H15), C12(H12), C14(H14), C15(H15), C12(H12),
 C14(H14), C15(H15), C12(H12), C14(H14), C15(H15A), C15(H15), C12(H12),
 C14(H14), C15(H15), C12(H12), C14(H14), C15(H15), C12(H12), C14(H14), C15(H15),
  C15(H15A), C12(H12), C14(H14), C15(H15), C15(H15A), C12(H12), C14(H14),
 C15(H15), C12(H12), C14(H14), C15(H15), C12(H12), C14(H14), C15(H15),
 C15(H15A), C12(H12), C14(H14), C15(H15), C12(H12), C14(H14), C15(H15),
 C15(H15A), C12(H12), C14(H14), C15(H15A), C15(H15), C12(H12), C14(H14),
 C15(H15), C15(H15A), C12(H12), C14(H14), C15(H15), C12(H12), C14(H14),
 C14(H14A), C15(H15), C15(H15A), C12(H12), C14(H14), C15(H15), C12(H12),
 C14(H14), C15(H15), C12(H12), C14(H14), C15(H15), C15(H15A)
5.b Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C17(H17A,H17B), C16(H16A,H16B), C17(H17A,H17B), C16(H16A,
 H16B), C17(H17A,H17B), C16(H16A,H16B), C17(H17A,H17B), C16(H16A,H16B),
 C17(H17A,H17B), C17(H17C,H17D), C16(H16A,H16B), C17(H17A,H17B), C17(H17C,H17D),
  C16(H16A,H16B), C17(H17A,H17B), C16(H16A,H16B), C17(H17A,H17B), C17(H17C,
 H17D), C16(H16A,H16B), C17(H17A,H17B), C17(H17C,H17D), C16(H16A,H16B),
 C17(H17A,H17B), C17(H17C,H17D), C16(H16A,H16B), C17(H17A,H17B), C17(H17C,H17D),
  C16(H16A,H16B), C17(H17A,H17B), C16(H16A,H16B), C17(H17A,H17B), C16(H16A,
 H16B), C17(H17A,H17B), C16(H16A,H16B), C17(H17A,H17B), C17(H17C,H17D),
 C16(H16A,H16B), C17(H17A,H17B), C16(H16A,H16B), C17(H17A,H17B), C17(H17C,H17D),
  C16(H16A,H16B), C17(H17A,H17B), C16(H16A,H16B), C17(H17A,H17B), C16(H16A,
 H16B), C17(H17A,H17B)
5.c Me refined with riding coordinates:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,
 H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C28(H28D,H28E,H28F),
 C29(H29D,H29E,H29F), C31(H31D,H31E,H31F), C32(H32D,H32E,H32F), C33(H33D,H33E,
 H33F), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,
 H24B,H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C),
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,
 H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C),
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C20(H20A,H20B,H20C), C21(H21A,H21B,
 H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C28(H28A,
 H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C),
 C33(H33A,H33B,H33C), C28(H28D,H28E,H28F), C29(H29D,H29E,H29F), C31(H31D,H31E,
 H31F), C32(H32D,H32E,H32F), C33(H33D,H33E,H33F), C20(H20A,H20B,H20C), C21(H21A,
 H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C),
 C20(H20D,H20E,H20F), C21(H21D,H21E,H21F), C23(H23D,H23E,H23F), C24(H24D,H24E,
 H24F), C25(H25D,H25E,H25F), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,
 H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C20(H20A,H20B,H20C),
 C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,
 H25C), C20(H20D,H20E,H20F), C21(H21D,H21E,H21F), C23(H23D,H23E,H23F), C24(H24D,
 H24E,H24F), C25(H25D,H25E,H25F), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C),
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,
 H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C),
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C28(H28D,H28E,H28F), C29(H29D,H29E,
 H29F), C31(H31D,H31E,H31F), C32(H32D,H32E,H32F), C33(H33D,H33E,H33F), C20(H20A,
 H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C),
 C25(H25A,H25B,H25C), C20(H20D,H20E,H20F), C21(H21D,H21E,H21F), C23(H23D,H23E,
 H23F), C24(H24D,H24E,H24F), C25(H25D,H25E,H25F), C28(H28A,H28B,H28C), C29(H29A,
 H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C),
 C28(H28D,H28E,H28F), C29(H29D,H29E,H29F), C31(H31D,H31E,H31F), C32(H32D,H32E,
 H32F), C33(H33D,H33E,H33F), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,
 H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C20(H20D,H20E,H20F),
 C21(H21D,H21E,H21F), C23(H23D,H23E,H23F), C24(H24D,H24E,H24F), C25(H25D,H25E,
 H25F), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,
 H32B,H32C), C33(H33A,H33B,H33C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C),
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C20(H20D,H20E,
 H20F), C21(H21D,H21E,H21F), C23(H23D,H23E,H23F), C24(H24D,H24E,H24F), C25(H25D,
 H25E,H25F), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C),
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C20(H20A,H20B,H20C), C21(H21A,H21B,
 H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C20(H20D,
 H20E,H20F), C21(H21D,H21E,H21F), C23(H23D,H23E,H23F), C24(H24D,H24E,H24F),
 C25(H25D,H25E,H25F), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,
 H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C28(H28D,H28E,H28F), C29(H29D,
 H29E,H29F), C31(H31D,H31E,H31F), C32(H32D,H32E,H32F), C33(H33D,H33E,H33F),
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,
 H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C28(H28D,H28E,H28F),
 C29(H29D,H29E,H29F), C31(H31D,H31E,H31F), C32(H32D,H32E,H32F), C33(H33D,H33E,
 H33F), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,
 H24B,H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C),
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C28(H28D,H28E,
 H28F), C29(H29D,H29E,H29F), C31(H31D,H31E,H31F), C32(H32D,H32E,H32F), C33(H33D,
 H33E,H33F), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C),
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C28(H28D,
 H28E,H28F), C29(H29D,H29E,H29F), C31(H31D,H31E,H31F), C32(H32D,H32E,H32F),
 C33(H33D,H33E,H33F), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C20(H20D,H20E,H20F), C21(H21D,
 H21E,H21F), C23(H23D,H23E,H23F), C24(H24D,H24E,H24F), C25(H25D,H25E,H25F),
 C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C28(H28D,H28E,H28F), C29(H29D,H29E,H29F), C31(H31D,
 H31E,H31F), C32(H32D,H32E,H32F), C33(H33D,H33E,H33F), C20(H20A,H20B,H20C),
 C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,
 H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,
 H32B,H32C), C33(H33A,H33B,H33C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C),
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C20(H20D,H20E,
 H20F), C21(H21D,H21E,H21F), C23(H23D,H23E,H23F), C24(H24D,H24E,H24F), C25(H25D,
 H25E,H25F), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C),
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C20(H20A,H20B,H20C), C21(H21A,H21B,
 H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C28(H28A,
 H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C),
 C33(H33A,H33B,H33C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,
 H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C),
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,
 H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C28(H28D,H28E,H28F),
 C29(H29D,H29E,H29F), C31(H31D,H31E,H31F), C32(H32D,H32E,H32F), C33(H33D,H33E,
 H33F)
5.d Aromatic/amide H refined with riding coordinates:
 N5(H5), C9(H9), N5(H5), C9(H9), N5(H5), C9(H9), N5(H5), C9(H9), N5(H5),
 C9(H9), N5(H5), C9(H9), N5(H5), C9(H9), N5(H5), C9(H9), N5(H5), C9(H9), N5(H5),
  C9(H9), N5(H5), C9(H9), N5(H5), C9(H9), N5(H5), C9(H9), N5(H5), C9(H9),
 N5(H5), C9(H9), N5(H5), C9(H9), N5(H5), C9(H9), N5(H5), C9(H9), N5(H5), C9(H9),
  N5(H5), C9(H9), C3(H3), C5(H5), C7(H7), C17(H17), C19(H19), C21(H21),
 C31(H31), C33(H33), C35(H35), C45(H45), C47(H47), C49(H49), C3(H3), C5(H5),
 C7(H7), C17(H17), C19(H19), C21(H21), C31(H31), C33(H33), C35(H35), C45(H45),
 C47(H47), C49(H49), C3(H3), C5(H5), C7(H7), C17(H17), C19(H19), C21(H21),
 C31(H31), C33(H33), C35(H35), C45(H45), C47(H47), C49(H49)
5.e X=CH2 refined with riding coordinates:
 N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B),
 N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B),
 N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B), N2(H2A,H2B),
 N2(H2A,H2B), N2(H2A,H2B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Cs1_1 Cs 0.59510(2) 0.28863(2) 0.25833(2) 0.07475(16) Uani 1 1 d . . . . .
Cs2_2 Cs 0.72904(3) 0.31476(2) 0.26298(2) 0.07335(16) Uani 1 1 d . . . . .
Cs3_3 Cs 0.85841(2) 0.34601(2) 0.27047(2) 0.07196(16) Uani 1 1 d . . . . .
O1_11 O 0.8905(3) 0.36533(14) 0.3649(2) 0.0730(16) Uani 1 1 d . . . . .
N2_11 N 0.9754(3) 0.28865(18) 0.4267(3) 0.0742(19) Uani 1 1 d . . . . .
H2A_11 H 0.979740 0.282093 0.399905 0.089 Uiso 1 1 calc R . . . .
H2B_11 H 0.988083 0.279026 0.449329 0.089 Uiso 1 1 calc R . . . .
N3_11 N 0.8928(3) 0.36601(15) 0.4402(2) 0.0628(16) Uani 1 1 d . . . . .
C4_11 C 0.9029(4) 0.35393(18) 0.4004(3) 0.065(2) Uani 1 1 d . . . . .
N5_11 N 0.9303(3) 0.32776(15) 0.3984(2) 0.0656(17) Uani 1 1 d . . . . .
H5_11 H 0.935050 0.320511 0.372118 0.079 Uiso 1 1 calc R . . . .
C6_11 C 0.9503(4) 0.3125(2) 0.4327(3) 0.070(2) Uani 1 1 d . . . . .
C7_11 C 0.9402(4) 0.32559(19) 0.4742(3) 0.069(2) Uani 1 1 d . . . . .
N8_11 N 0.9535(3) 0.31664(19) 0.5163(3) 0.080(2) Uani 1 1 d . . . . .
C9_11 C 0.9329(4) 0.3360(2) 0.5402(3) 0.080(3) Uani 1 1 d . . . . .
H9_11 H 0.934907 0.335431 0.571373 0.096 Uiso 1 1 calc R . . . .
N10_11 N 0.9078(3) 0.35786(14) 0.5178(2) 0.0653(17) Uani 1 1 d . . . . .
C11_11 C 0.9130(3) 0.35039(19) 0.4737(3) 0.064(2) Uani 1 1 d . . . . .
C12_11 C 0.8800(3) 0.38313(16) 0.5330(3) 0.072(2) Uani 1 1 d . U . . .
H12_11 H 0.844339 0.382853 0.521010 0.086 Uiso 1 1 calc R . . . .
O13_11 O 0.9055(2) 0.40835(13) 0.5189(2) 0.0749(15) Uani 1 1 d . U . . .
C14_11 C 0.9415(3) 0.4178(2) 0.5524(3) 0.086(2) Uani 1 1 d . U . . .
H14_11 H 0.934756 0.438634 0.559430 0.103 Uiso 1 1 calc R . . . .
C15_11 C 0.9318(4) 0.3994(2) 0.5930(3) 0.089(2) Uani 1 1 d . U . . .
H15_11 H 0.958589 0.384026 0.596110 0.107 Uiso 1 1 calc R . . . .
C16_11 C 0.8800(4) 0.3852(2) 0.5832(3) 0.083(2) Uani 1 1 d . U . . .
H16A_11 H 0.877616 0.365829 0.596874 0.100 Uiso 1 1 calc R . . . .
H16B_11 H 0.851779 0.397561 0.593320 0.100 Uiso 1 1 calc R . . . .
C17_11 C 0.9955(4) 0.4148(3) 0.5369(4) 0.113(4) Uani 1 1 d . U . . .
H17A_11 H 1.019746 0.418449 0.561659 0.135 Uiso 1 1 calc R . . . .
H17B_11 H 1.001264 0.394898 0.525937 0.135 Uiso 1 1 calc R . . . .
O18_11 O 1.0036(3) 0.4351(3) 0.5031(4) 0.136(3) Uani 1 1 d . U . . .
Si19_11 Si 1.05418(18) 0.43638(12) 0.47313(19) 0.1387(16) Uani 1 1 d . U . . .
C20_11 C 1.0719(8) 0.4756(3) 0.4669(9) 0.183(9) Uani 1 1 d . U . . .
H20A_11 H 1.102204 0.477147 0.448921 0.275 Uiso 1 1 calc R . . . .
H20B_11 H 1.043652 0.486096 0.452522 0.275 Uiso 1 1 calc R . . . .
H20C_11 H 1.078967 0.484058 0.495853 0.275 Uiso 1 1 calc R . . . .
C21_11 C 1.1071(6) 0.4168(5) 0.5026(8) 0.190(9) Uani 1 1 d . U . . .
H21A_11 H 1.137759 0.417402 0.484859 0.285 Uiso 1 1 calc R . . . .
H21B_11 H 1.114117 0.426129 0.530942 0.285 Uiso 1 1 calc R . . . .
H21C_11 H 1.097266 0.396523 0.507318 0.285 Uiso 1 1 calc R . . . .
C22_11 C 1.0362(5) 0.4199(4) 0.4196(4) 0.169(5) Uani 1 1 d . U . . .
C23_11 C 0.9932(8) 0.4379(6) 0.3975(8) 0.207(9) Uani 1 1 d . U . . .
H23A_11 H 1.004602 0.457931 0.393712 0.311 Uiso 1 1 calc R . . . .
H23B_11 H 0.984453 0.429473 0.368742 0.311 Uiso 1 1 calc R . . . .
H23C_11 H 0.963170 0.437567 0.415966 0.311 Uiso 1 1 calc R . . . .
C24_11 C 1.0824(8) 0.4206(7) 0.3895(8) 0.212(11) Uani 1 1 d . U . . .
H24A_11 H 1.093727 0.440712 0.385966 0.319 Uiso 1 1 calc R . . . .
H24B_11 H 1.110024 0.409055 0.402696 0.319 Uiso 1 1 calc R . . . .
H24C_11 H 1.072760 0.412517 0.360796 0.319 Uiso 1 1 calc R . . . .
C25_11 C 1.0181(10) 0.3885(4) 0.4254(8) 0.198(9) Uani 1 1 d . U . . .
H25A_11 H 0.988659 0.388173 0.444579 0.298 Uiso 1 1 calc R . . . .
H25B_11 H 1.008357 0.380325 0.396727 0.298 Uiso 1 1 calc R . . . .
H25C_11 H 1.045621 0.376864 0.438626 0.298 Uiso 1 1 calc R . . . .
O26_11 O 0.9329(4) 0.4173(2) 0.6303(2) 0.114(2) Uani 1 1 d . U . . .
Si27_11^a Si 0.9665(5) 0.4076(2) 0.6761(2) 0.142(4) Uani 0.595(15) 1 d . U P A
1
C28_11^a C 1.0351(6) 0.4024(8) 0.6671(10) 0.166(10) Uani 0.595(15) 1 d . U P A
1
H28A_11 H 1.052069 0.396860 0.694760 0.250 Uiso 0.595(15) 1 calc R . P A 1
H28B_11 H 1.039729 0.387000 0.645321 0.250 Uiso 0.595(15) 1 calc R . P A 1
H28C_11 H 1.049822 0.420503 0.656305 0.250 Uiso 0.595(15) 1 calc R . P A 1
C29_11^a C 0.9365(14) 0.3755(6) 0.7013(12) 0.176(11) Uani 0.595(15) 1 d . U P A
1
H29A_11 H 0.955919 0.369854 0.727821 0.264 Uiso 0.595(15) 1 calc R . P A 1
H29B_11 H 0.901529 0.380200 0.709141 0.264 Uiso 0.595(15) 1 calc R . P A 1
H29C_11 H 0.936209 0.359326 0.680387 0.264 Uiso 0.595(15) 1 calc R . P A 1
C30_11^a C 0.9579(9) 0.4406(4) 0.7120(6) 0.167(7) Uani 0.595(15) 1 d . U P A 1
C31_11^a C 0.9654(17) 0.4682(5) 0.6851(10) 0.205(11) Uani 0.595(15) 1 d . U P A
1
H31A_11 H 1.000591 0.469048 0.675123 0.308 Uiso 0.595(15) 1 calc R . P A 1
H31B_11 H 0.942101 0.468039 0.659551 0.308 Uiso 0.595(15) 1 calc R . P A 1
H31C_11 H 0.958463 0.485219 0.703258 0.308 Uiso 0.595(15) 1 calc R . P A 1
C32_11^a C 0.9036(9) 0.4382(8) 0.7284(12) 0.207(13) Uani 0.595(15) 1 d . U P A
1
H32A_11 H 0.900198 0.420274 0.745447 0.311 Uiso 0.595(15) 1 calc R . P A 1
H32B_11 H 0.896094 0.454915 0.746949 0.311 Uiso 0.595(15) 1 calc R . P A 1
H32C_11 H 0.879732 0.437735 0.703242 0.311 Uiso 0.595(15) 1 calc R . P A 1
C33_11^a C 0.9951(11) 0.4397(8) 0.7515(7) 0.212(12) Uani 0.595(15) 1 d . U P A
1
H33A_11 H 1.030053 0.441243 0.741314 0.317 Uiso 0.595(15) 1 calc R . P A 1
H33B_11 H 0.987963 0.455909 0.771264 0.317 Uiso 0.595(15) 1 calc R . P A 1
H33C_11 H 0.990999 0.421319 0.767285 0.317 Uiso 0.595(15) 1 calc R . P A 1
Si27_11^b Si 0.9362(5) 0.4124(3) 0.6825(3) 0.121(4) Uani 0.405(15) 1 d . . P A
2
C28_11^b C 0.940(2) 0.3728(4) 0.6939(14) 0.166(11) Uani 0.405(15) 1 d . . P A 2
H28D_11 H 0.941538 0.369577 0.725712 0.249 Uiso 0.405(15) 1 calc R . P A 2
H28E_11 H 0.909036 0.363227 0.681746 0.249 Uiso 0.405(15) 1 calc R . P A 2
H28F_11 H 0.969781 0.364578 0.680376 0.249 Uiso 0.405(15) 1 calc R . P A 2
C29_11^b C 0.8795(12) 0.4275(12) 0.7107(12) 0.203(15) Uani 0.405(15) 1 d . . P
A 2
H29D_11 H 0.883039 0.424072 0.742391 0.304 Uiso 0.405(15) 1 calc R . P A 2
H29E_11 H 0.877140 0.448438 0.705209 0.304 Uiso 0.405(15) 1 calc R . P A 2
H29F_11 H 0.848585 0.417956 0.699445 0.304 Uiso 0.405(15) 1 calc R . P A 2
C30_11^b C 0.9952(9) 0.4318(6) 0.7029(8) 0.171(7) Uani 0.405(15) 1 d . . P A 2
C31_11^b C 1.0367(12) 0.4322(13) 0.6691(12) 0.186(13) Uani 0.405(15) 1 d . . P
A 2
H31D_11 H 1.023385 0.440797 0.641724 0.279 Uiso 0.405(15) 1 calc R . P A 2
H31E_11 H 1.065456 0.443810 0.680203 0.279 Uiso 0.405(15) 1 calc R . P A 2
H31F_11 H 1.048098 0.412337 0.663455 0.279 Uiso 0.405(15) 1 calc R . P A 2
C32_11^b C 0.9777(18) 0.4632(6) 0.7124(17) 0.201(12) Uani 0.405(15) 1 d . . P A
2
H32D_11 H 0.950933 0.462906 0.734215 0.302 Uiso 0.405(15) 1 calc R . P A 2
H32E_11 H 1.006688 0.474565 0.723775 0.302 Uiso 0.405(15) 1 calc R . P A 2
H32F_11 H 0.964550 0.472141 0.685254 0.302 Uiso 0.405(15) 1 calc R . P A 2
C33_11^b C 1.0143(18) 0.4185(11) 0.7465(12) 0.198(15) Uani 0.405(15) 1 d . . P
A 2
H33D_11 H 0.986682 0.418498 0.767579 0.297 Uiso 0.405(15) 1 calc R . P A 2
H33E_11 H 1.025504 0.398476 0.741519 0.297 Uiso 0.405(15) 1 calc R . P A 2
H33F_11 H 1.042863 0.429949 0.758267 0.297 Uiso 0.405(15) 1 calc R . P A 2
O1_12 O 0.9426(3) 0.30866(15) 0.3147(2) 0.0806(18) Uani 1 1 d . . . . .
N2_12 N 1.0134(4) 0.2563(2) 0.2057(3) 0.096(3) Uani 1 1 d . . . . .
H2A_12 H 0.998381 0.268358 0.187161 0.115 Uiso 1 1 calc R . . . .
H2B_12 H 1.032629 0.242194 0.195811 0.115 Uiso 1 1 calc R . . . .
N3_12 N 0.9838(3) 0.26815(17) 0.3383(3) 0.074(2) Uani 1 1 d . . . . .
C4_12 C 0.9682(4) 0.2860(2) 0.3066(3) 0.074(2) Uani 1 1 d . . . . .
N5_12 N 0.9780(3) 0.28086(18) 0.2626(3) 0.080(2) Uani 1 1 d . . . . .
H5_12 H 0.964078 0.292564 0.242935 0.095 Uiso 1 1 calc R . . . .
C6_12 C 1.0073(5) 0.2594(2) 0.2483(3) 0.083(3) Uani 1 1 d . . . . .
C7_12 C 1.0242(4) 0.2397(2) 0.2809(3) 0.084(3) Uani 1 1 d . . . . .
N8_12 N 1.0509(5) 0.2133(2) 0.2778(3) 0.101(3) Uani 1 1 d . . . . .
C9_12 C 1.0528(5) 0.2052(3) 0.3187(3) 0.094(3) Uani 1 1 d . . . . .
H9_12 H 1.069954 0.187927 0.327717 0.113 Uiso 1 1 calc R . . . .
N10_12 N 1.0291(3) 0.22249(17) 0.3479(2) 0.079(2) Uani 1 1 d . . . . .
C11_12 C 1.0099(4) 0.2455(2) 0.3231(3) 0.076(2) Uani 1 1 d . . . . .
C12_12 C 1.0237(4) 0.21964(18) 0.3952(3) 0.080(2) Uani 1 1 d . U . . .
H12_12 H 0.987095 0.221870 0.402810 0.095 Uiso 1 1 calc R . . . .
O13_12 O 1.0532(3) 0.24139(15) 0.4170(3) 0.0915(19) Uani 1 1 d . U . . .
C14_12 C 1.1011(3) 0.2296(2) 0.4320(4) 0.099(3) Uani 1 1 d . U . . .
H14_12 H 1.102457 0.230246 0.464793 0.118 Uiso 1 1 calc R . . . .
C15_12 C 1.1011(3) 0.1976(2) 0.4175(4) 0.092(3) Uani 1 1 d . U . . .
H15_12 H 1.118082 0.195511 0.388699 0.110 Uiso 1 1 calc R . . . .
C16_12 C 1.0437(3) 0.1906(2) 0.4123(4) 0.084(2) Uani 1 1 d . U . . .
H16A_12 H 1.037342 0.174779 0.390979 0.101 Uiso 1 1 calc R . . . .
H16B_12 H 1.028593 0.185457 0.440749 0.101 Uiso 1 1 calc R . . . .
C17_12 C 1.1438(5) 0.2484(4) 0.4148(4) 0.129(4) Uani 1 1 d . U . . .
H17A_12 H 1.138737 0.268762 0.423948 0.154 Uiso 1 1 calc R . . . .
H17B_12 H 1.176867 0.241633 0.427288 0.154 Uiso 1 1 calc R . . . .
O18_12 O 1.1443(4) 0.2466(3) 0.3679(3) 0.140(3) Uani 1 1 d . U . . .
Si19_12 Si 1.1884(2) 0.25910(14) 0.3357(2) 0.161(2) Uani 1 1 d . U . . .
C20_12 C 1.1573(7) 0.2715(5) 0.2837(5) 0.190(9) Uani 1 1 d . U . . .
H20A_12 H 1.183141 0.279046 0.264062 0.285 Uiso 1 1 calc R . . . .
H20B_12 H 1.139668 0.255105 0.269596 0.285 Uiso 1 1 calc R . . . .
H20C_12 H 1.132710 0.286817 0.290024 0.285 Uiso 1 1 calc R . . . .
C21_12 C 1.2204(9) 0.2910(4) 0.3630(8) 0.219(10) Uani 1 1 d . U . . .
H21A_12 H 1.246806 0.298525 0.343894 0.329 Uiso 1 1 calc R . . . .
H21B_12 H 1.195200 0.306162 0.368216 0.329 Uiso 1 1 calc R . . . .
H21C_12 H 1.235884 0.284808 0.390983 0.329 Uiso 1 1 calc R . . . .
C22_12 C 1.2353(5) 0.2293(3) 0.3269(5) 0.157(5) Uani 1 1 d . U . . .
C23_12 C 1.2079(7) 0.2060(4) 0.2988(8) 0.172(7) Uani 1 1 d . U . . .
H23A_12 H 1.195845 0.214594 0.271116 0.259 Uiso 1 1 calc R . . . .
H23B_12 H 1.231671 0.190164 0.292737 0.259 Uiso 1 1 calc R . . . .
H23C_12 H 1.178942 0.198342 0.314835 0.259 Uiso 1 1 calc R . . . .
C24_12 C 1.2801(8) 0.2399(6) 0.2989(9) 0.219(11) Uani 1 1 d . U . . .
H24A_12 H 1.266766 0.248588 0.271638 0.328 Uiso 1 1 calc R . . . .
H24B_12 H 1.299909 0.254380 0.315434 0.328 Uiso 1 1 calc R . . . .
H24C_12 H 1.301919 0.223364 0.291900 0.328 Uiso 1 1 calc R . . . .
C25_12 C 1.2538(10) 0.2156(6) 0.3697(7) 0.214(11) Uani 1 1 d . U . . .
H25A_12 H 1.271229 0.230255 0.387826 0.321 Uiso 1 1 calc R . . . .
H25B_12 H 1.224638 0.207925 0.385508 0.321 Uiso 1 1 calc R . . . .
H25C_12 H 1.277367 0.199747 0.363410 0.321 Uiso 1 1 calc R . . . .
O26_12 O 1.1270(3) 0.18068(18) 0.4501(3) 0.111(2) Uani 1 1 d . U . . .
Si27_12 Si 1.14451(14) 0.14617(10) 0.44376(13) 0.1119(12) Uani 1 1 d . U . . .
C28_12 C 1.0904(5) 0.1223(3) 0.4572(6) 0.127(4) Uani 1 1 d . U . . .
H28A_12 H 1.100388 0.101968 0.453505 0.190 Uiso 1 1 calc R . . . .
H28B_12 H 1.080726 0.125632 0.487610 0.190 Uiso 1 1 calc R . . . .
H28C_12 H 1.061444 0.126673 0.437467 0.190 Uiso 1 1 calc R . . . .
C29_12 C 1.1642(6) 0.1399(4) 0.3866(4) 0.122(4) Uani 1 1 d . U . . .
H29A_12 H 1.174383 0.119555 0.383121 0.183 Uiso 1 1 calc R . . . .
H29B_12 H 1.135643 0.144167 0.366373 0.183 Uiso 1 1 calc R . . . .
H29C_12 H 1.192910 0.152560 0.379942 0.183 Uiso 1 1 calc R . . . .
C30_12 C 1.1993(4) 0.1425(3) 0.4839(4) 0.138(4) Uani 1 1 d . U . . .
C31_12 C 1.1830(7) 0.1517(5) 0.5301(4) 0.168(8) Uani 1 1 d . U . . .
H31A_12 H 1.154537 0.139541 0.539181 0.251 Uiso 1 1 calc R . . . .
H31B_12 H 1.211718 0.149184 0.550830 0.251 Uiso 1 1 calc R . . . .
H31C_12 H 1.172540 0.172069 0.529630 0.251 Uiso 1 1 calc R . . . .
C32_12 C 1.2440(6) 0.1617(4) 0.4701(7) 0.163(7) Uani 1 1 d . U . . .
H32A_12 H 1.254621 0.156088 0.440719 0.245 Uiso 1 1 calc R . . . .
H32B_12 H 1.233350 0.182127 0.469814 0.245 Uiso 1 1 calc R . . . .
H32C_12 H 1.272527 0.159241 0.491014 0.245 Uiso 1 1 calc R . . . .
C33_12 C 1.2192(8) 0.1111(4) 0.4830(8) 0.182(8) Uani 1 1 d . U . . .
H33A_12 H 1.229085 0.106197 0.453134 0.273 Uiso 1 1 calc R . . . .
H33B_12 H 1.248752 0.109350 0.502968 0.273 Uiso 1 1 calc R . . . .
H33C_12 H 1.192369 0.097883 0.492360 0.273 Uiso 1 1 calc R . . . .
O1_13 O 0.9339(3) 0.31891(16) 0.2057(2) 0.089(2) Uani 1 1 d . . . . .
N2_13 N 0.9039(4) 0.3661(2) 0.0769(3) 0.097(3) Uani 1 1 d . . . . .
H2A_13 H 0.889022 0.379445 0.092762 0.117 Uiso 1 1 calc R . . . .
H2B_13 H 0.905543 0.368247 0.048244 0.117 Uiso 1 1 calc R . . . .
N3_13 N 0.9608(4) 0.29446(19) 0.1458(3) 0.081(2) Uani 1 1 d . . . . .
C4_13 C 0.9389(4) 0.3170(2) 0.1645(3) 0.076(2) Uani 1 1 d . . . . .
N5_13 N 0.9202(3) 0.34038(19) 0.1406(2) 0.078(2) Uani 1 1 d . . . . .
H5_13 H 0.905352 0.354466 0.154955 0.093 Uiso 1 1 calc R . . . .
C6_13 C 0.9236(4) 0.3430(2) 0.0958(3) 0.082(3) Uani 1 1 d . . . . .
C7_13 C 0.9482(5) 0.3202(2) 0.0762(3) 0.087(3) Uani 1 1 d . . . . .
N8_13 N 0.9581(5) 0.3150(3) 0.0318(3) 0.104(3) Uani 1 1 d . . . . .
C9_13 C 0.9793(7) 0.2895(3) 0.0332(4) 0.113(4) Uani 1 1 d . . . . .
H9_13 H 0.989760 0.279819 0.007435 0.135 Uiso 1 1 calc R . . . .
N10_13 N 0.9855(4) 0.27749(19) 0.0740(3) 0.095(3) Uani 1 1 d . . . . .
C11_13 C 0.9640(4) 0.2977(2) 0.1013(3) 0.082(3) Uani 1 1 d . . . . .
C12_13 C 1.0050(4) 0.2490(2) 0.0865(3) 0.097(3) Uani 1 1 d . U . . .
H12_13 H 0.978523 0.238169 0.102977 0.116 Uiso 1 1 calc R . . . .
O13_13 O 1.0496(3) 0.2523(2) 0.1135(2) 0.104(2) Uani 1 1 d . U . . .
C14_13 C 1.0932(4) 0.2499(3) 0.0872(4) 0.123(3) Uani 1 1 d . U . . .
H14_13 H 1.114066 0.233394 0.098909 0.147 Uiso 1 1 calc R . . . .
C15_13 C 1.0756(5) 0.2421(3) 0.0410(4) 0.124(3) Uani 1 1 d . U . . .
H15_13 H 1.075345 0.259700 0.021682 0.148 Uiso 1 1 calc R . . . .
C16_13 C 1.0215(5) 0.2307(3) 0.0470(4) 0.112(3) Uani 1 1 d . U . . .
H16A_13 H 1.021303 0.209713 0.053696 0.134 Uiso 1 1 calc R . . . .
H16B_13 H 0.999603 0.234467 0.020708 0.134 Uiso 1 1 calc R . . . .
C17_13 C 1.1244(6) 0.2772(3) 0.0924(7) 0.148(5) Uani 1 1 d . U . . .
H17A_13 H 1.135176 0.279556 0.123502 0.178 Uiso 1 1 calc R . . . .
H17B_13 H 1.155413 0.275572 0.074659 0.178 Uiso 1 1 calc R . . . .
O18_13 O 1.0957(4) 0.3018(2) 0.0785(5) 0.153(4) Uani 1 1 d . U . . .
Si19_13 Si 1.1176(2) 0.33495(13) 0.0816(3) 0.169(2) Uani 1 1 d . U . . .
C20_13 C 1.1852(5) 0.3356(5) 0.0652(9) 0.197(9) Uani 1 1 d . U . . .
H20A_13 H 1.198117 0.355539 0.067115 0.296 Uiso 1 1 calc R . . . .
H20B_13 H 1.205319 0.323073 0.084857 0.296 Uiso 1 1 calc R . . . .
H20C_13 H 1.187684 0.328622 0.034974 0.296 Uiso 1 1 calc R . . . .
C21_13 C 1.0758(6) 0.3564(4) 0.0424(7) 0.168(7) Uani 1 1 d . U . . .
H21A_13 H 1.086739 0.376726 0.042530 0.251 Uiso 1 1 calc R . . . .
H21B_13 H 1.078632 0.348404 0.012792 0.251 Uiso 1 1 calc R . . . .
H21C_13 H 1.040422 0.355180 0.051609 0.251 Uiso 1 1 calc R . . . .
C22_13 C 1.1130(6) 0.3485(4) 0.1388(5) 0.189(6) Uani 1 1 d . U . . .
C23_13 C 1.1480(12) 0.3323(6) 0.1706(9) 0.262(14) Uani 1 1 d . U . . .
H23A_13 H 1.183030 0.333413 0.160407 0.393 Uiso 1 1 calc R . . . .
H23B_13 H 1.146109 0.341093 0.199778 0.393 Uiso 1 1 calc R . . . .
H23C_13 H 1.137451 0.311940 0.172060 0.393 Uiso 1 1 calc R . . . .
C24_13 C 1.1303(10) 0.3809(4) 0.1397(10) 0.230(12) Uani 1 1 d . U . . .
H24A_13 H 1.108561 0.392268 0.119550 0.346 Uiso 1 1 calc R . . . .
H24B_13 H 1.127402 0.388638 0.169532 0.346 Uiso 1 1 calc R . . . .
H24C_13 H 1.165704 0.382290 0.130621 0.346 Uiso 1 1 calc R . . . .
C25_13 C 1.0574(7) 0.3476(8) 0.1530(10) 0.254(13) Uani 1 1 d . U . . .
H25A_13 H 1.036120 0.358311 0.131724 0.381 Uiso 1 1 calc R . . . .
H25B_13 H 1.045952 0.327399 0.154311 0.381 Uiso 1 1 calc R . . . .
H25C_13 H 1.054610 0.356552 0.182028 0.381 Uiso 1 1 calc R . . . .
O26_13 O 1.1086(5) 0.2205(3) 0.0242(3) 0.157(4) Uani 1 1 d . U . . .
Si27_13 Si 1.1327(4) 0.2232(2) -0.0249(3) 0.224(4) Uani 1 1 d . U . . .
C28_13 C 1.0781(10) 0.2209(9) -0.0655(8) 0.282(14) Uani 1 1 d . U . . .
H28A_13 H 1.090908 0.222419 -0.095318 0.423 Uiso 1 1 calc R . . . .
H28B_13 H 1.060580 0.202279 -0.062066 0.423 Uiso 1 1 calc R . . . .
H28C_13 H 1.054217 0.236801 -0.060226 0.423 Uiso 1 1 calc R . . . .
C29_13 C 1.1660(11) 0.2582(4) -0.0341(11) 0.256(13) Uani 1 1 d . U . . .
H29A_13 H 1.179524 0.258489 -0.063793 0.385 Uiso 1 1 calc R . . . .
H29B_13 H 1.142097 0.274283 -0.030697 0.385 Uiso 1 1 calc R . . . .
H29C_13 H 1.194113 0.260224 -0.012611 0.385 Uiso 1 1 calc R . . . .
C30_13 C 1.1766(8) 0.1916(4) -0.0293(6) 0.242(9) Uani 1 1 d . U . . .
C31_13 C 1.1485(13) 0.1629(5) -0.0211(12) 0.269(13) Uani 1 1 d . U . . .
H31A_13 H 1.132583 0.163627 0.007690 0.403 Uiso 1 1 calc R . . . .
H31B_13 H 1.122187 0.160031 -0.043951 0.403 Uiso 1 1 calc R . . . .
H31C_13 H 1.172719 0.146762 -0.021661 0.403 Uiso 1 1 calc R . . . .
C32_13 C 1.2189(12) 0.1955(8) 0.0071(11) 0.305(16) Uani 1 1 d . U . . .
H32A_13 H 1.203145 0.196379 0.035886 0.457 Uiso 1 1 calc R . . . .
H32B_13 H 1.242365 0.178981 0.006313 0.457 Uiso 1 1 calc R . . . .
H32C_13 H 1.237597 0.213490 0.001854 0.457 Uiso 1 1 calc R . . . .
C33_13 C 1.2011(14) 0.1902(7) -0.0740(8) 0.293(16) Uani 1 1 d . U . . .
H33A_13 H 1.219068 0.208415 -0.079511 0.439 Uiso 1 1 calc R . . . .
H33B_13 H 1.225203 0.174008 -0.074483 0.439 Uiso 1 1 calc R . . . .
H33C_13 H 1.174671 0.187277 -0.096774 0.439 Uiso 1 1 calc R . . . .
O1_14 O 0.8740(3) 0.38281(15) 0.1872(2) 0.086(2) Uani 1 1 d . . . . .
N2_14 N 0.8162(4) 0.47362(19) 0.2185(3) 0.089(3) Uani 1 1 d . . . . .
H2A_14 H 0.821660 0.469375 0.246306 0.107 Uiso 1 1 calc R . . . .
H2B_14 H 0.804736 0.490910 0.210939 0.107 Uiso 1 1 calc R . . . .
N3_14 N 0.8483(4) 0.40899(18) 0.1271(3) 0.081(2) Uani 1 1 d . . . . .
C4_14 C 0.8549(4) 0.4053(2) 0.1705(3) 0.076(2) Uani 1 1 d . . . . .
N5_14 N 0.8428(4) 0.42722(18) 0.1999(3) 0.078(2) Uani 1 1 d . . . . .
H5_14 H 0.846784 0.423638 0.228090 0.094 Uiso 1 1 calc R . . . .
C6_14 C 0.8251(4) 0.4539(2) 0.1877(3) 0.073(2) Uani 1 1 d . . . . .
C7_14 C 0.8175(4) 0.4579(2) 0.1428(3) 0.078(3) Uani 1 1 d . . . . .
N8_14 N 0.7994(4) 0.4819(2) 0.1188(3) 0.095(3) Uani 1 1 d . . . . .
C9_14 C 0.8020(5) 0.4726(2) 0.0781(3) 0.094(3) Uani 1 1 d . . . . .
H9_14 H 0.793283 0.484362 0.053416 0.112 Uiso 1 1 calc R . . . .
N10_14 N 0.8186(3) 0.44415(18) 0.0742(2) 0.082(2) Uani 1 1 d . . . . .
C11_14 C 0.8290(4) 0.4352(2) 0.1160(3) 0.082(3) Uani 1 1 d . . . . .
C12_14 C 0.8238(4) 0.4268(2) 0.0342(3) 0.088(3) Uani 1 1 d . U . . .
H12_14 H 0.799632 0.410062 0.035117 0.105 Uiso 1 1 calc R . . . .
O13_14 O 0.8737(3) 0.41616(18) 0.0305(2) 0.096(2) Uani 1 1 d . U . . .
C14_14 C 0.9000(4) 0.4312(3) -0.0029(4) 0.109(3) Uani 1 1 d . U . . .
H14_14 H 0.903215 0.417929 -0.028742 0.131 Uiso 1 1 calc R . . . .
C15_14 C 0.8664(4) 0.4569(3) -0.0165(3) 0.106(3) Uani 1 1 d . U . . .
H15A_14 H 0.873231 0.473685 0.003528 0.127 Uiso 0.431(14) 1 calc R . P B 16
H15_14 H 0.873816 0.474682 0.001268 0.127 Uiso 0.569(14) 1 calc R . P B 2
C16_14 C 0.8135(4) 0.4442(3) -0.0080(3) 0.100(3) Uani 1 1 d . U . . .
H16A_14 H 0.788055 0.459657 -0.003443 0.121 Uiso 1 1 calc R . . . .
H16B_14 H 0.801761 0.431439 -0.032316 0.121 Uiso 1 1 calc R . . . .
C17_14 C 0.9523(4) 0.4391(4) 0.0136(5) 0.132(4) Uani 1 1 d . U . . .
H17A_14 H 0.969627 0.421739 0.025907 0.158 Uiso 1 1 calc R . . . .
H17B_14 H 0.972708 0.446627 -0.010806 0.158 Uiso 1 1 calc R . . . .
O18_14 O 0.9477(4) 0.4609(3) 0.0469(3) 0.136(3) Uani 1 1 d . U . . .
Si19_14 Si 0.9803(2) 0.46194(16) 0.09288(19) 0.1536(19) Uani 1 1 d . U . . .
C20_14 C 0.9473(7) 0.4909(4) 0.1256(6) 0.158(6) Uani 1 1 d . U . . .
H20A_14 H 0.964552 0.493107 0.154271 0.237 Uiso 1 1 calc R . . . .
H20B_14 H 0.948345 0.509395 0.109746 0.237 Uiso 1 1 calc R . . . .
H20C_14 H 0.911788 0.485295 0.129894 0.237 Uiso 1 1 calc R . . . .
C21_14 C 0.9788(9) 0.4267(3) 0.1229(7) 0.168(7) Uani 1 1 d . U . . .
H21A_14 H 0.998882 0.428366 0.150204 0.252 Uiso 1 1 calc R . . . .
H21B_14 H 0.943544 0.421866 0.129605 0.252 Uiso 1 1 calc R . . . .
H21C_14 H 0.993128 0.411444 0.104515 0.252 Uiso 1 1 calc R . . . .
C22_14 C 1.0476(4) 0.4726(4) 0.0841(6) 0.178(6) Uani 1 1 d . U . . .
C23_14 C 1.0466(9) 0.5035(5) 0.0660(10) 0.224(11) Uani 1 1 d . U . . .
H23A_14 H 1.029103 0.516198 0.086518 0.335 Uiso 1 1 calc R . . . .
H23B_14 H 1.081558 0.510321 0.062437 0.335 Uiso 1 1 calc R . . . .
H23C_14 H 1.028613 0.503678 0.037541 0.335 Uiso 1 1 calc R . . . .
C24_14 C 1.0771(8) 0.4721(7) 0.1287(7) 0.203(10) Uani 1 1 d . U . . .
H24A_14 H 1.077705 0.452234 0.140246 0.304 Uiso 1 1 calc R . . . .
H24B_14 H 1.112003 0.478792 0.124486 0.304 Uiso 1 1 calc R . . . .
H24C_14 H 1.060202 0.484898 0.149451 0.304 Uiso 1 1 calc R . . . .
C25_14 C 1.0747(8) 0.4517(7) 0.0531(10) 0.249(12) Uani 1 1 d . U . . .
H25A_14 H 1.074684 0.432063 0.065669 0.373 Uiso 1 1 calc R . . . .
H25B_14 H 1.056947 0.451449 0.024538 0.373 Uiso 1 1 calc R . . . .
H25C_14 H 1.109891 0.458092 0.049434 0.373 Uiso 1 1 calc R . . . .
O26_14^p O 0.8768(10) 0.4646(5) -0.0600(5) 0.125(5) Uani 0.431(14) 1 d . U P B
16
Si27_14^p Si 0.8596(6) 0.4936(3) -0.0887(4) 0.139(4) Uani 0.431(14) 1 d . U P B
16
C28_14^p C 0.8924(15) 0.4879(9) -0.1425(7) 0.147(11) Uani 0.431(14) 1 d . U P B
16
H28A_14 H 0.884569 0.504137 -0.162277 0.220 Uiso 0.431(14) 1 calc R . P B 16
H28B_14 H 0.929215 0.486761 -0.137257 0.220 Uiso 0.431(14) 1 calc R . P B 16
H28C_14 H 0.880317 0.469744 -0.155975 0.220 Uiso 0.431(14) 1 calc R . P B 16
C29_14^p C 0.7899(7) 0.4936(9) -0.1000(13) 0.158(12) Uani 0.431(14) 1 d . U P B
16
H29A_14 H 0.780490 0.510861 -0.117005 0.236 Uiso 0.431(14) 1 calc R . P B 16
H29B_14 H 0.780545 0.476125 -0.116750 0.236 Uiso 0.431(14) 1 calc R . P B 16
H29C_14 H 0.771915 0.493632 -0.072191 0.236 Uiso 0.431(14) 1 calc R . P B 16
C30_14^p C 0.8854(11) 0.5261(5) -0.0598(9) 0.162(7) Uani 0.431(14) 1 d . U P B
16
C31_14^p C 0.9417(12) 0.5219(10) -0.0465(16) 0.182(14) Uani 0.431(14) 1 d . U P
B 16
H31A_14 H 0.961275 0.517316 -0.072635 0.274 Uiso 0.431(14) 1 calc R . P B 16
H31B_14 H 0.954872 0.539788 -0.033111 0.274 Uiso 0.431(14) 1 calc R . P B 16
H31C_14 H 0.944896 0.505922 -0.025415 0.274 Uiso 0.431(14) 1 calc R . P B 16
C32_14^p C 0.8551(19) 0.5332(11) -0.0187(13) 0.178(14) Uani 0.431(14) 1 d . U P
B 16
H32A_14 H 0.819168 0.535900 -0.026881 0.267 Uiso 0.431(14) 1 calc R . P B 16
H32B_14 H 0.858407 0.517231 0.002419 0.267 Uiso 0.431(14) 1 calc R . P B 16
H32C_14 H 0.868383 0.551098 -0.005277 0.267 Uiso 0.431(14) 1 calc R . P B 16
C33_14^p C 0.883(2) 0.5528(6) -0.0904(15) 0.177(14) Uani 0.431(14) 1 d . U P B
16
H33A_14 H 0.902153 0.548789 -0.116916 0.266 Uiso 0.431(14) 1 calc R . P B 16
H33B_14 H 0.847523 0.556985 -0.098429 0.266 Uiso 0.431(14) 1 calc R . P B 16
H33C_14 H 0.897977 0.569597 -0.075116 0.266 Uiso 0.431(14) 1 calc R . P B 16
O26_14^b O 0.8726(7) 0.4613(3) -0.0624(4) 0.116(4) Uani 0.569(14) 1 d . . P B 2
Si27_14^b Si 0.8980(4) 0.49095(18) -0.0832(2) 0.123(3) Uani 0.569(14) 1 d . . P
B 2
C28_14^b C 0.9597(8) 0.4991(7) -0.0549(9) 0.149(9) Uani 0.569(14) 1 d . . P B 2
H28D_14 H 0.974407 0.516675 -0.067442 0.224 Uiso 0.569(14) 1 calc R . P B 2
H28E_14 H 0.954145 0.502077 -0.023521 0.224 Uiso 0.569(14) 1 calc R . P B 2
H28F_14 H 0.983078 0.482759 -0.058748 0.224 Uiso 0.569(14) 1 calc R . P B 2
C29_14^b C 0.9119(12) 0.4806(6) -0.1414(5) 0.123(8) Uani 0.569(14) 1 d . . P B
2
H29D_14 H 0.927170 0.497097 -0.156437 0.185 Uiso 0.569(14) 1 calc R . P B 2
H29E_14 H 0.935480 0.464117 -0.141433 0.185 Uiso 0.569(14) 1 calc R . P B 2
H29F_14 H 0.880116 0.475068 -0.156707 0.185 Uiso 0.569(14) 1 calc R . P B 2
C30_14^b C 0.8506(8) 0.5208(4) -0.0802(7) 0.150(6) Uani 0.569(14) 1 d . . P B 2
C31_14^b C 0.8388(13) 0.5300(8) -0.0335(7) 0.141(9) Uani 0.569(14) 1 d . . P B
2
H31D_14 H 0.870457 0.535229 -0.017865 0.212 Uiso 0.569(14) 1 calc R . P B 2
H31E_14 H 0.815845 0.546708 -0.034292 0.212 Uiso 0.569(14) 1 calc R . P B 2
H31F_14 H 0.822517 0.513831 -0.018226 0.212 Uiso 0.569(14) 1 calc R . P B 2
C32_14^b C 0.8011(9) 0.5123(8) -0.1056(10) 0.166(10) Uani 0.569(14) 1 d . . P B
2
H32D_14 H 0.809264 0.506474 -0.135491 0.248 Uiso 0.569(14) 1 calc R . P B 2
H32E_14 H 0.784630 0.496127 -0.090583 0.248 Uiso 0.569(14) 1 calc R . P B 2
H32F_14 H 0.777957 0.529004 -0.106649 0.248 Uiso 0.569(14) 1 calc R . P B 2
C33_14^b C 0.8697(16) 0.5476(6) -0.1059(13) 0.194(13) Uani 0.569(14) 1 d . . P
B 2
H33D_14 H 0.877370 0.541929 -0.135959 0.291 Uiso 0.569(14) 1 calc R . P B 2
H33E_14 H 0.843196 0.562620 -0.106468 0.291 Uiso 0.569(14) 1 calc R . P B 2
H33F_14 H 0.900458 0.555344 -0.091371 0.291 Uiso 0.569(14) 1 calc R . P B 2
O1_15 O 0.8554(3) 0.41319(14) 0.2861(2) 0.0757(16) Uani 1 1 d . . . . .
N2_15 N 0.8544(3) 0.42477(17) 0.4349(3) 0.0721(19) Uani 1 1 d . . . . .
H2A_15 H 0.868142 0.407367 0.436590 0.086 Uiso 1 1 calc R . . . .
H2B_15 H 0.848399 0.434569 0.459010 0.086 Uiso 1 1 calc R . . . .
N3_15 N 0.8196(3) 0.45587(16) 0.3090(3) 0.0719(19) Uani 1 1 d . . . . .
C4_15 C 0.8427(4) 0.42983(19) 0.3170(3) 0.069(2) Uani 1 1 d . . . . .
N5_15 N 0.8526(3) 0.42063(16) 0.3587(2) 0.0630(16) Uani 1 1 d . . . . .
H5_15 H 0.866226 0.403308 0.361948 0.076 Uiso 1 1 calc R . . . .
C6_15 C 0.8429(4) 0.43616(19) 0.3962(3) 0.067(2) Uani 1 1 d . . . . .
C7_15 C 0.8202(3) 0.46292(19) 0.3888(3) 0.066(2) Uani 1 1 d . . . . .
N8_15 N 0.8028(3) 0.48398(17) 0.4177(3) 0.074(2) Uani 1 1 d . . . . .
C9_15 C 0.7825(4) 0.5035(2) 0.3911(3) 0.075(2) Uani 1 1 d . . . . .
H9_15 H 0.766835 0.520754 0.401304 0.090 Uiso 1 1 calc R . . . .
N10_15 N 0.7857(3) 0.49697(14) 0.3475(2) 0.0701(19) Uani 1 1 d . . . . .
C11_15 C 0.8103(4) 0.47057(18) 0.3454(3) 0.068(2) Uani 1 1 d . . . . .
C12_15 C 0.7658(3) 0.51257(17) 0.3090(3) 0.076(2) Uani 1 1 d . U . . .
H12_15 H 0.745960 0.498699 0.289997 0.092 Uiso 1 1 calc R . . . .
O13_15 O 0.8070(3) 0.52355(13) 0.2848(2) 0.0807(16) Uani 1 1 d . U . . .
C14_15 C 0.8108(3) 0.55439(18) 0.2901(4) 0.091(2) Uani 1 1 d . U . . .
H14_15 H 0.802967 0.563710 0.261102 0.109 Uiso 1 1 calc R . . . .
C15_15 C 0.7696(4) 0.56365(16) 0.3224(4) 0.088(2) Uani 1 1 d . U . . .
H15_15 H 0.784212 0.565676 0.352838 0.105 Uiso 1 1 calc R . . . .
C16_15 C 0.7319(3) 0.53834(17) 0.3196(4) 0.085(2) Uani 1 1 d . U . . .
H16A_15 H 0.714750 0.535452 0.347888 0.102 Uiso 1 1 calc R . . . .
H16B_15 H 0.705879 0.541583 0.296186 0.102 Uiso 1 1 calc R . . . .
C17_15 C 0.8645(4) 0.5620(3) 0.3036(4) 0.119(3) Uani 1 1 d . U . . .
H17A_15 H 0.888463 0.552754 0.283232 0.142 Uiso 0.581(15) 1 calc R . P C 1
H17B_15 H 0.869273 0.583286 0.301927 0.142 Uiso 0.581(15) 1 calc R . P C 1
H17C_15 H 0.888409 0.550671 0.285683 0.142 Uiso 0.419(15) 1 calc R . P C 2
H17D_15 H 0.870534 0.582859 0.297847 0.142 Uiso 0.419(15) 1 calc R . P C 2
O18_15^a O 0.8751(6) 0.5522(5) 0.3474(5) 0.123(5) Uani 0.581(15) 1 d . U P C 1
Si19_15^a Si 0.9328(4) 0.5580(2) 0.3691(4) 0.130(3) Uani 0.581(15) 1 d . U P C
1
C20_15^a C 0.9804(10) 0.5340(6) 0.3424(9) 0.152(9) Uani 0.581(15) 1 d . U P C 1
H20A_15 H 1.014223 0.537641 0.355490 0.228 Uiso 0.581(15) 1 calc R . P C 1
H20B_15 H 0.971144 0.513649 0.346879 0.228 Uiso 0.581(15) 1 calc R . P C 1
H20C_15 H 0.980935 0.538198 0.310902 0.228 Uiso 0.581(15) 1 calc R . P C 1
C21_15^a C 0.9493(12) 0.5969(4) 0.3625(12) 0.177(11) Uani 0.581(15) 1 d . U P C
1
H21A_15 H 0.983305 0.600497 0.375234 0.266 Uiso 0.581(15) 1 calc R . P C 1
H21B_15 H 0.948982 0.601917 0.331267 0.266 Uiso 0.581(15) 1 calc R . P C 1
H21C_15 H 0.924406 0.608932 0.377632 0.266 Uiso 0.581(15) 1 calc R . P C 1
C22_15^a C 0.9255(7) 0.5480(4) 0.4284(5) 0.138(6) Uani 0.581(15) 1 d . U P C 1
C23_15^a C 0.9218(10) 0.5150(4) 0.4315(10) 0.141(9) Uani 0.581(15) 1 d . U P C
1
H23A_15 H 0.952745 0.506206 0.420042 0.211 Uiso 0.581(15) 1 calc R . P C 1
H23B_15 H 0.918059 0.509288 0.462254 0.211 Uiso 0.581(15) 1 calc R . P C 1
H23C_15 H 0.892219 0.508208 0.414249 0.211 Uiso 0.581(15) 1 calc R . P C 1
C24_15^a C 0.9715(11) 0.5581(8) 0.4564(10) 0.181(12) Uani 0.581(15) 1 d . U P C
1
H24A_15 H 0.974374 0.579317 0.454692 0.272 Uiso 0.581(15) 1 calc R . P C 1
H24B_15 H 0.966996 0.552334 0.486990 0.272 Uiso 0.581(15) 1 calc R . P C 1
H24C_15 H 1.002590 0.549243 0.445355 0.272 Uiso 0.581(15) 1 calc R . P C 1
C25_15^a C 0.8770(9) 0.5617(7) 0.4463(9) 0.146(9) Uani 0.581(15) 1 d . U P C 1
H25A_15 H 0.879408 0.582856 0.444318 0.220 Uiso 0.581(15) 1 calc R . P C 1
H25B_15 H 0.847466 0.554917 0.429067 0.220 Uiso 0.581(15) 1 calc R . P C 1
H25C_15 H 0.873306 0.555997 0.477072 0.220 Uiso 0.581(15) 1 calc R . P C 1
O18_15^b O 0.8741(7) 0.5561(7) 0.3488(6) 0.126(5) Uani 0.419(15) 1 d . . P C 2
Si19_15^b Si 0.9300(5) 0.5434(4) 0.3664(5) 0.150(5) Uani 0.419(15) 1 d . . P C
2
C20_15^b C 0.9282(13) 0.5032(4) 0.3673(14) 0.157(13) Uani 0.419(15) 1 d . . P C
2
H20D_15 H 0.961161 0.495690 0.377766 0.235 Uiso 0.419(15) 1 calc R . P C 2
H20E_15 H 0.901539 0.496668 0.387052 0.235 Uiso 0.419(15) 1 calc R . P C 2
H20F_15 H 0.920845 0.495884 0.337656 0.235 Uiso 0.419(15) 1 calc R . P C 2
C21_15^b C 0.9809(11) 0.5574(9) 0.3304(12) 0.151(11) Uani 0.419(15) 1 d . . P C
2
H21D_15 H 1.013974 0.549931 0.340688 0.227 Uiso 0.419(15) 1 calc R . P C 2
H21E_15 H 0.974261 0.550932 0.300163 0.227 Uiso 0.419(15) 1 calc R . P C 2
H21F_15 H 0.981222 0.578642 0.331380 0.227 Uiso 0.419(15) 1 calc R . P C 2
C22_15^b C 0.9369(10) 0.5585(6) 0.4236(6) 0.142(6) Uani 0.419(15) 1 d . . P C 2
C23_15^b C 0.8907(15) 0.5501(11) 0.4505(12) 0.155(11) Uani 0.419(15) 1 d . . P
C 2
H23D_15 H 0.888171 0.528947 0.452194 0.232 Uiso 0.419(15) 1 calc R . P C 2
H23E_15 H 0.894457 0.558170 0.480173 0.232 Uiso 0.419(15) 1 calc R . P C 2
H23F_15 H 0.859744 0.557954 0.436378 0.232 Uiso 0.419(15) 1 calc R . P C 2
C24_15^b C 0.9853(14) 0.5458(11) 0.4456(13) 0.165(13) Uani 0.419(15) 1 d . . P
C 2
H24D_15 H 1.014952 0.551111 0.428422 0.247 Uiso 0.419(15) 1 calc R . P C 2
H24E_15 H 0.989263 0.553581 0.475368 0.247 Uiso 0.419(15) 1 calc R . P C 2
H24F_15 H 0.982447 0.524602 0.446891 0.247 Uiso 0.419(15) 1 calc R . P C 2
C25_15^b C 0.9415(18) 0.5916(6) 0.4206(15) 0.178(13) Uani 0.419(15) 1 d . . P C
2
H25D_15 H 0.971205 0.596686 0.403301 0.267 Uiso 0.419(15) 1 calc R . P C 2
H25E_15 H 0.910753 0.599596 0.406342 0.267 Uiso 0.419(15) 1 calc R . P C 2
H25F_15 H 0.945465 0.599813 0.450137 0.267 Uiso 0.419(15) 1 calc R . P C 2
O26_15 O 0.7460(3) 0.59004(12) 0.3082(3) 0.099(2) Uani 1 1 d . U . . .
Si27_15 Si 0.74872(16) 0.62150(7) 0.33362(14) 0.1072(11) Uani 1 1 d . U . . .
C28_15 C 0.7072(6) 0.6202(4) 0.3814(4) 0.134(5) Uani 1 1 d . U . . .
H28A_15 H 0.708581 0.638827 0.396818 0.201 Uiso 1 1 calc R . . . .
H28B_15 H 0.672172 0.616223 0.371561 0.201 Uiso 1 1 calc R . . . .
H28C_15 H 0.718811 0.604706 0.401359 0.201 Uiso 1 1 calc R . . . .
C29_15 C 0.8150(4) 0.6297(3) 0.3517(6) 0.132(5) Uani 1 1 d . U . . .
H29A_15 H 0.816033 0.648478 0.366708 0.198 Uiso 1 1 calc R . . . .
H29B_15 H 0.827260 0.614489 0.371773 0.198 Uiso 1 1 calc R . . . .
H29C_15 H 0.836833 0.630401 0.326030 0.198 Uiso 1 1 calc R . . . .
C30_15 C 0.7265(6) 0.6488(2) 0.2910(4) 0.138(4) Uani 1 1 d . U . . .
C31_15 C 0.6728(7) 0.6409(4) 0.2755(8) 0.174(8) Uani 1 1 d . U . . .
H31A_15 H 0.672664 0.621231 0.263320 0.261 Uiso 1 1 calc R . . . .
H31B_15 H 0.649818 0.641803 0.300306 0.261 Uiso 1 1 calc R . . . .
H31C_15 H 0.661337 0.654672 0.252792 0.261 Uiso 1 1 calc R . . . .
C32_15 C 0.7619(9) 0.6466(5) 0.2516(6) 0.187(8) Uani 1 1 d . U . . .
H32A_15 H 0.796705 0.651574 0.261014 0.281 Uiso 1 1 calc R . . . .
H32B_15 H 0.761239 0.626687 0.240188 0.281 Uiso 1 1 calc R . . . .
H32C_15 H 0.750358 0.660020 0.228571 0.281 Uiso 1 1 calc R . . . .
C33_15 C 0.7284(11) 0.6794(3) 0.3102(8) 0.201(10) Uani 1 1 d . U . . .
H33A_15 H 0.763328 0.683893 0.319939 0.302 Uiso 1 1 calc R . . . .
H33B_15 H 0.717360 0.693415 0.287793 0.302 Uiso 1 1 calc R . . . .
H33C_15 H 0.705841 0.680546 0.335307 0.302 Uiso 1 1 calc R . . . .
O1_16 O 0.8091(3) 0.30188(14) 0.34880(19) 0.0719(15) Uani 1 1 d . . . . .
N2_16 N 0.7574(3) 0.36935(16) 0.4479(2) 0.0654(17) Uani 1 1 d . . . . .
H2A_16 H 0.748757 0.380054 0.424979 0.078 Uiso 1 1 calc R . . . .
H2B_16 H 0.752897 0.375988 0.474552 0.078 Uiso 1 1 calc R . . . .
N3_16 N 0.8205(3) 0.28806(15) 0.4203(2) 0.0624(16) Uani 1 1 d . . . . .
C4_16 C 0.8049(4) 0.30664(19) 0.3894(3) 0.066(2) Uani 1 1 d . . . . .
N5_16 N 0.7839(3) 0.33353(16) 0.4000(2) 0.0636(17) Uani 1 1 d . . . . .
H5_16 H 0.774200 0.344960 0.378226 0.076 Uiso 1 1 calc R . . . .
C6_16 C 0.7772(3) 0.34342(18) 0.4421(3) 0.0585(18) Uani 1 1 d . . . . .
C7_16 C 0.7937(3) 0.32415(17) 0.4743(3) 0.0581(18) Uani 1 1 d . . . . .
N8_16 N 0.7943(3) 0.32630(15) 0.5203(2) 0.0641(17) Uani 1 1 d . . . . .
C9_16 C 0.8133(4) 0.30163(19) 0.5329(3) 0.067(2) Uani 1 1 d . . . . .
H9_16 H 0.818271 0.296774 0.562940 0.080 Uiso 1 1 calc R . . . .
N10_16 N 0.8256(3) 0.28311(13) 0.4998(2) 0.0631(16) Uani 1 1 d . . . . .
C11_16 C 0.8131(3) 0.29775(17) 0.4612(3) 0.0606(19) Uani 1 1 d . . . . .
C12_16 C 0.8426(3) 0.25296(16) 0.5024(3) 0.0698(19) Uani 1 1 d . U . . .
H12_16 H 0.832126 0.242585 0.474866 0.084 Uiso 1 1 calc R . . . .
O13_16 O 0.8180(2) 0.24018(13) 0.53847(19) 0.0746(15) Uani 1 1 d . U . . .
C14_16 C 0.8544(3) 0.2245(2) 0.5649(3) 0.081(2) Uani 1 1 d . U . . .
H14_16 H 0.857702 0.204467 0.552740 0.097 Uiso 1 1 calc R . . . .
C15_16 C 0.9044(3) 0.24043(19) 0.5588(3) 0.081(2) Uani 1 1 d . U . . .
H15_16 H 0.906205 0.258042 0.577913 0.097 Uiso 1 1 calc R . . . .
C16_16 C 0.9001(3) 0.2493(2) 0.5103(3) 0.082(2) Uani 1 1 d . U . . .
H16A_16 H 0.918432 0.267665 0.504932 0.098 Uiso 1 1 calc R . . . .
H16B_16 H 0.913952 0.233964 0.491093 0.098 Uiso 1 1 calc R . . . .
C17_16 C 0.8364(5) 0.2223(3) 0.6106(3) 0.111(3) Uani 1 1 d . U . . .
H17A_16 H 0.864370 0.215608 0.630399 0.133 Uiso 0.680(10) 1 calc R . P D 1
H17B_16 H 0.824727 0.241519 0.620905 0.133 Uiso 0.680(10) 1 calc R . P D 1
H17C_16 H 0.853158 0.205088 0.623872 0.133 Uiso 0.320(10) 1 calc R . P D 2
H17D_16 H 0.849941 0.239466 0.626605 0.133 Uiso 0.320(10) 1 calc R . P D 2
O18_16^a O 0.7948(4) 0.2017(2) 0.6105(4) 0.099(3) Uani 0.680(10) 1 d . U P D 1
Si19_16^a Si 0.7421(2) 0.19996(11) 0.64033(18) 0.1028(19) Uani 0.680(10) 1 d .
U P D 1
C20_16^a C 0.7269(9) 0.2373(3) 0.6596(6) 0.115(6) Uani 0.680(10) 1 d . U P D 1
H20A_16 H 0.696155 0.236780 0.677141 0.173 Uiso 0.680(10) 1 calc R . P D 1
H20B_16 H 0.755380 0.244773 0.677592 0.173 Uiso 0.680(10) 1 calc R . P D 1
H20C_16 H 0.721240 0.250053 0.634207 0.173 Uiso 0.680(10) 1 calc R . P D 1
C21_16^a C 0.6900(7) 0.1876(4) 0.6029(7) 0.116(6) Uani 0.680(10) 1 d . U P D 1
H21A_16 H 0.658367 0.186254 0.619164 0.174 Uiso 0.680(10) 1 calc R . P D 1
H21B_16 H 0.685703 0.201426 0.578778 0.174 Uiso 0.680(10) 1 calc R . P D 1
H21C_16 H 0.698503 0.168422 0.591114 0.174 Uiso 0.680(10) 1 calc R . P D 1
C22_16^a C 0.7559(6) 0.1750(3) 0.6867(5) 0.130(5) Uani 0.680(10) 1 d . U P D 1
C23_16^a C 0.7982(10) 0.1878(6) 0.7166(7) 0.170(8) Uani 0.680(10) 1 d . U P D 1
H23A_16 H 0.787847 0.207022 0.726818 0.254 Uiso 0.680(10) 1 calc R . P D 1
H23B_16 H 0.804004 0.174979 0.741849 0.254 Uiso 0.680(10) 1 calc R . P D 1
H23C_16 H 0.829572 0.189504 0.700064 0.254 Uiso 0.680(10) 1 calc R . P D 1
C24_16^a C 0.7082(9) 0.1709(7) 0.7147(9) 0.168(10) Uani 0.680(10) 1 d . U P D 1
H24A_16 H 0.697069 0.189789 0.725730 0.252 Uiso 0.680(10) 1 calc R . P D 1
H24B_16 H 0.680913 0.162212 0.696696 0.252 Uiso 0.680(10) 1 calc R . P D 1
H24C_16 H 0.716435 0.158083 0.739555 0.252 Uiso 0.680(10) 1 calc R . P D 1
C25_16^a C 0.7715(10) 0.1450(4) 0.6705(9) 0.169(9) Uani 0.680(10) 1 d . U P D 1
H25A_16 H 0.744396 0.137057 0.651527 0.254 Uiso 0.680(10) 1 calc R . P D 1
H25B_16 H 0.802861 0.146676 0.653923 0.254 Uiso 0.680(10) 1 calc R . P D 1
H25C_16 H 0.777292 0.132151 0.695707 0.254 Uiso 0.680(10) 1 calc R . P D 1
O18_16^b O 0.7853(6) 0.2204(6) 0.6198(7) 0.116(5) Uani 0.320(10) 1 d . . P D 2
Si19_16^b Si 0.7783(5) 0.1980(3) 0.6621(4) 0.116(4) Uani 0.320(10) 1 d . . P D
2
C20_16^b C 0.8100(15) 0.1626(6) 0.6513(16) 0.145(12) Uani 0.320(10) 1 d . . P D
2
H20D_16 H 0.805637 0.149687 0.676384 0.217 Uiso 0.320(10) 1 calc R . P D 2
H20E_16 H 0.794747 0.153770 0.624893 0.217 Uiso 0.320(10) 1 calc R . P D 2
H20F_16 H 0.846373 0.165890 0.646814 0.217 Uiso 0.320(10) 1 calc R . P D 2
C21_16^b C 0.8057(16) 0.2135(10) 0.7134(8) 0.148(13) Uani 0.320(10) 1 d . . P D
2
H21D_16 H 0.800891 0.199775 0.737576 0.222 Uiso 0.320(10) 1 calc R . P D 2
H21E_16 H 0.842086 0.217037 0.709866 0.222 Uiso 0.320(10) 1 calc R . P D 2
H21F_16 H 0.788562 0.231811 0.720053 0.222 Uiso 0.320(10) 1 calc R . P D 2
C22_16^b C 0.7071(6) 0.1939(6) 0.6606(9) 0.127(6) Uani 0.320(10) 1 d . . P D 2
C23_16^b C 0.6923(15) 0.1812(11) 0.6154(12) 0.127(12) Uani 0.320(10) 1 d . . P
D 2
H23D_16 H 0.704366 0.194085 0.592225 0.190 Uiso 0.320(10) 1 calc R . P D 2
H23E_16 H 0.707827 0.162007 0.612214 0.190 Uiso 0.320(10) 1 calc R . P D 2
H23F_16 H 0.655193 0.179415 0.612847 0.190 Uiso 0.320(10) 1 calc R . P D 2
C24_16^b C 0.6877(15) 0.1734(10) 0.6957(14) 0.140(13) Uani 0.320(10) 1 d . . P
D 2
H24D_16 H 0.703095 0.154188 0.691895 0.209 Uiso 0.320(10) 1 calc R . P D 2
H24E_16 H 0.696986 0.180972 0.724786 0.209 Uiso 0.320(10) 1 calc R . P D 2
H24F_16 H 0.650645 0.171763 0.692828 0.209 Uiso 0.320(10) 1 calc R . P D 2
C25_16^b C 0.6848(14) 0.2245(8) 0.6642(13) 0.147(13) Uani 0.320(10) 1 d . . P D
2
H25D_16 H 0.698425 0.236777 0.641053 0.220 Uiso 0.320(10) 1 calc R . P D 2
H25E_16 H 0.647703 0.223485 0.661006 0.220 Uiso 0.320(10) 1 calc R . P D 2
H25F_16 H 0.694044 0.232694 0.692964 0.220 Uiso 0.320(10) 1 calc R . P D 2
O26_16 O 0.9445(3) 0.22149(16) 0.5692(3) 0.096(2) Uani 1 1 d . U . . .
Si27_16 Si 1.00372(14) 0.23077(8) 0.58240(12) 0.1020(10) Uani 1 1 d . U . . .
C28_16 C 1.0312(6) 0.2510(3) 0.5362(5) 0.124(4) Uani 1 1 d . U . . .
H28A_16 H 1.066234 0.256576 0.543762 0.186 Uiso 1 1 calc R . . . .
H28B_16 H 1.030908 0.238683 0.509966 0.186 Uiso 1 1 calc R . . . .
H28C_16 H 1.010894 0.268486 0.530295 0.186 Uiso 1 1 calc R . . . .
C29_16 C 1.0046(7) 0.2530(5) 0.6333(5) 0.162(7) Uani 1 1 d . U . . .
H29A_16 H 1.039696 0.258401 0.641012 0.243 Uiso 1 1 calc R . . . .
H29B_16 H 0.984223 0.270545 0.628545 0.243 Uiso 1 1 calc R . . . .
H29C_16 H 0.990283 0.241656 0.657342 0.243 Uiso 1 1 calc R . . . .
C30_16 C 1.0357(5) 0.1946(2) 0.5902(4) 0.131(4) Uani 1 1 d . U . . .
C31_16 C 1.0338(8) 0.1773(3) 0.5472(5) 0.147(5) Uani 1 1 d . U . . .
H31A_16 H 0.998250 0.174445 0.537759 0.220 Uiso 1 1 calc R . . . .
H31B_16 H 1.051759 0.188035 0.524516 0.220 Uiso 1 1 calc R . . . .
H31C_16 H 1.050063 0.158402 0.551835 0.220 Uiso 1 1 calc R . . . .
C32_16 C 1.0072(8) 0.1778(4) 0.6257(7) 0.196(10) Uani 1 1 d . U . . .
H32A_16 H 1.008400 0.188848 0.653145 0.294 Uiso 1 1 calc R . . . .
H32B_16 H 0.971723 0.175002 0.616139 0.294 Uiso 1 1 calc R . . . .
H32C_16 H 1.023421 0.158869 0.630299 0.294 Uiso 1 1 calc R . . . .
C33_16 C 1.0911(5) 0.1993(5) 0.6053(7) 0.187(8) Uani 1 1 d . U . . .
H33A_16 H 1.091945 0.210366 0.632786 0.281 Uiso 1 1 calc R . . . .
H33B_16 H 1.107523 0.180428 0.610105 0.281 Uiso 1 1 calc R . . . .
H33C_16 H 1.109218 0.210061 0.582785 0.281 Uiso 1 1 calc R . . . .
O1_17 O 0.8374(3) 0.27197(16) 0.2531(2) 0.087(2) Uani 1 1 d . . . . .
N2_17 N 0.8734(3) 0.23745(16) 0.3907(2) 0.0708(19) Uani 1 1 d . . . . .
H2A_17 H 0.858306 0.253090 0.400699 0.085 Uiso 1 1 calc R . . . .
H2B_17 H 0.886592 0.224698 0.409215 0.085 Uiso 1 1 calc R . . . .
N3_17 N 0.8778(4) 0.22850(19) 0.2544(3) 0.084(2) Uani 1 1 d . . . . .
C4_17 C 0.8572(4) 0.2515(2) 0.2739(3) 0.078(3) Uani 1 1 d . . . . .
N5_17 N 0.8558(3) 0.25281(17) 0.3200(2) 0.0709(19) Uani 1 1 d . . . . .
H5_17 H 0.840342 0.267778 0.331624 0.085 Uiso 1 1 calc R . . . .
C6_17 C 0.8762(4) 0.2331(2) 0.3477(3) 0.068(2) Uani 1 1 d . . . . .
C7_17 C 0.8998(4) 0.2091(2) 0.3279(3) 0.073(2) Uani 1 1 d . . . . .
N8_17 N 0.9226(4) 0.18531(19) 0.3452(3) 0.086(2) Uani 1 1 d . . . . .
C9_17 C 0.9344(5) 0.1697(2) 0.3096(3) 0.091(3) Uani 1 1 d . . . . .
H9_17 H 0.950134 0.151148 0.311054 0.109 Uiso 1 1 calc R . . . .
N10_17 N 0.9216(4) 0.18325(18) 0.2709(2) 0.085(2) Uani 1 1 d . . . . .
C11_17 C 0.8971(4) 0.2088(2) 0.2824(3) 0.079(3) Uani 1 1 d . . . . .
C12_17 C 0.9276(5) 0.1719(2) 0.2272(3) 0.097(3) Uani 1 1 d . U . . .
H12_17 H 0.898868 0.179783 0.208859 0.117 Uiso 1 1 calc R . . . .
O13_17 O 0.9217(4) 0.14205(17) 0.2279(3) 0.111(2) Uani 1 1 d . U . . .
C14_17 C 0.9650(4) 0.1300(2) 0.2049(5) 0.117(3) Uani 1 1 d . U . . .
H14_17 H 0.956087 0.127697 0.173031 0.141 Uiso 1 1 calc R . . . .
C15_17 C 1.0079(4) 0.1523(2) 0.2106(4) 0.114(3) Uani 1 1 d . U . . .
H15_17 H 1.021381 0.151599 0.241558 0.136 Uiso 0.546(11) 1 calc R . P E 1
H15A_17 H 1.024712 0.151340 0.240354 0.136 Uiso 0.454(11) 1 calc R . P E 2
C16_17 C 0.9765(5) 0.1798(2) 0.2041(5) 0.115(4) Uani 1 1 d . U . . .
H16A_17 H 0.970038 0.183900 0.172537 0.137 Uiso 1 1 calc R . . . .
H16B_17 H 0.993375 0.196830 0.217937 0.137 Uiso 1 1 calc R . . . .
C17_17 C 0.9769(5) 0.1010(2) 0.2246(7) 0.142(5) Uani 1 1 d . U . . .
H17A_17 H 1.006088 0.092123 0.209669 0.171 Uiso 1 1 calc R . . . .
H17B_17 H 0.986167 0.103253 0.256117 0.171 Uiso 1 1 calc R . . . .
O18_17 O 0.9327(5) 0.0825(2) 0.2198(6) 0.182(5) Uani 1 1 d . U . . .
Si19_17 Si 0.9393(4) 0.04772(14) 0.2217(4) 0.228(4) Uani 1 1 d . U . . .
C20_17 C 0.9803(9) 0.0347(7) 0.1777(9) 0.256(14) Uani 1 1 d . U . . .
H20A_17 H 0.983702 0.013581 0.179672 0.384 Uiso 1 1 calc R . . . .
H20B_17 H 0.965090 0.039965 0.149173 0.384 Uiso 1 1 calc R . . . .
H20C_17 H 1.013965 0.043716 0.180889 0.384 Uiso 1 1 calc R . . . .
C21_17 C 0.9703(13) 0.0388(6) 0.2773(7) 0.282(15) Uani 1 1 d . U . . .
H21A_17 H 0.975091 0.017736 0.279777 0.423 Uiso 1 1 calc R . . . .
H21B_17 H 1.003439 0.048472 0.279857 0.423 Uiso 1 1 calc R . . . .
H21C_17 H 0.948420 0.045521 0.300787 0.423 Uiso 1 1 calc R . . . .
C23_17 C 0.8508(11) 0.0400(10) 0.1776(10) 0.340(18) Uani 1 1 d . U . . .
H23A_17 H 0.869716 0.030645 0.154204 0.510 Uiso 1 1 calc R . . . .
H23B_17 H 0.815204 0.033706 0.176031 0.510 Uiso 1 1 calc R . . . .
H23C_17 H 0.852421 0.061136 0.174114 0.510 Uiso 1 1 calc R . . . .
C22_17 C 0.8741(6) 0.0316(4) 0.2220(8) 0.240(9) Uani 1 1 d . U . . .
C24_17 C 0.8824(12) -0.0012(4) 0.2266(13) 0.270(14) Uani 1 1 d . U . . .
H24A_17 H 0.897456 -0.005463 0.255640 0.405 Uiso 1 1 calc R . . . .
H24B_17 H 0.849751 -0.011278 0.223320 0.405 Uiso 1 1 calc R . . . .
H24C_17 H 0.905456 -0.007887 0.203882 0.405 Uiso 1 1 calc R . . . .
C25_17 C 0.8478(9) 0.0449(6) 0.2615(10) 0.236(12) Uani 1 1 d . U . . .
H25A_17 H 0.865046 0.038378 0.288623 0.354 Uiso 1 1 calc R . . . .
H25B_17 H 0.849414 0.066072 0.259643 0.354 Uiso 1 1 calc R . . . .
H25C_17 H 0.812197 0.038642 0.261561 0.354 Uiso 1 1 calc R . . . .
O26_17^a O 1.0486(4) 0.1491(5) 0.1815(6) 0.124(4) Uani 0.546(11) 1 d . U P E 1
Si27_17^a Si 1.1103(3) 0.14435(15) 0.1937(2) 0.103(2) Uani 0.546(11) 1 d . U P
E 1
C28_17^a C 1.1285(12) 0.1090(4) 0.1684(8) 0.121(8) Uani 0.546(11) 1 d . U P E 1
H28A_17 H 1.164576 0.105222 0.174638 0.181 Uiso 0.546(11) 1 calc R . P E 1
H28B_17 H 1.107947 0.093420 0.180750 0.181 Uiso 0.546(11) 1 calc R . P E 1
H28C_17 H 1.122461 0.109970 0.136606 0.181 Uiso 0.546(11) 1 calc R . P E 1
C29_17^a C 1.1217(13) 0.1431(7) 0.2537(4) 0.118(8) Uani 0.546(11) 1 d . U P E 1
H29A_17 H 1.158072 0.140345 0.260005 0.177 Uiso 0.546(11) 1 calc R . P E 1
H29B_17 H 1.110503 0.161400 0.266825 0.177 Uiso 0.546(11) 1 calc R . P E 1
H29C_17 H 1.102539 0.126964 0.266181 0.177 Uiso 0.546(11) 1 calc R . P E 1
C30_17^a C 1.1450(6) 0.1750(3) 0.1669(5) 0.115(5) Uani 0.546(11) 1 d . U P E 1
C31_17^a C 1.1377(12) 0.1743(6) 0.1166(5) 0.131(8) Uani 0.546(11) 1 d . U P E 1
H31A_17 H 1.101378 0.175080 0.108945 0.197 Uiso 0.546(11) 1 calc R . P E 1
H31B_17 H 1.154993 0.190980 0.103671 0.197 Uiso 0.546(11) 1 calc R . P E 1
H31C_17 H 1.152263 0.156293 0.105094 0.197 Uiso 0.546(11) 1 calc R . P E 1
C32_17^a C 1.1252(11) 0.2046(4) 0.1835(9) 0.114(8) Uani 0.546(11) 1 d . U P E 1
H32A_17 H 1.088653 0.206113 0.176965 0.171 Uiso 0.546(11) 1 calc R . P E 1
H32B_17 H 1.131263 0.205966 0.215278 0.171 Uiso 0.546(11) 1 calc R . P E 1
H32C_17 H 1.143148 0.220334 0.168825 0.171 Uiso 0.546(11) 1 calc R . P E 1
C33_17^a C 1.2021(7) 0.1737(7) 0.1779(9) 0.133(8) Uani 0.546(11) 1 d . U P E 1
H33A_17 H 1.207382 0.174204 0.209821 0.200 Uiso 0.546(11) 1 calc R . P E 1
H33B_17 H 1.216341 0.155765 0.166180 0.200 Uiso 0.546(11) 1 calc R . P E 1
H33C_17 H 1.219072 0.190453 0.164757 0.200 Uiso 0.546(11) 1 calc R . P E 1
O26_17^b O 1.0417(6) 0.1454(5) 0.1764(8) 0.137(5) Uani 0.454(11) 1 d . . P E 2
Si27_17^b Si 1.0975(4) 0.1604(2) 0.1665(3) 0.128(3) Uani 0.454(11) 1 d . . P E
2
C28_17^b C 1.0931(14) 0.2001(3) 0.1766(12) 0.140(10) Uani 0.454(11) 1 d . . P E
2
H28D_17 H 1.125904 0.209183 0.170862 0.209 Uiso 0.454(11) 1 calc R . P E 2
H28E_17 H 1.066839 0.208442 0.157100 0.209 Uiso 0.454(11) 1 calc R . P E 2
H28F_17 H 1.084098 0.203463 0.207211 0.209 Uiso 0.454(11) 1 calc R . P E 2
C29_17^b C 1.1105(15) 0.1543(9) 0.1069(6) 0.173(13) Uani 0.454(11) 1 d . . P E
2
H29D_17 H 1.143339 0.162905 0.099726 0.259 Uiso 0.454(11) 1 calc R . P E 2
H29E_17 H 1.111334 0.133383 0.100888 0.259 Uiso 0.454(11) 1 calc R . P E 2
H29F_17 H 1.083535 0.163331 0.088836 0.259 Uiso 0.454(11) 1 calc R . P E 2
C30_17^b C 1.1467(7) 0.1419(5) 0.2022(6) 0.130(6) Uani 0.454(11) 1 d . . P E 2
C31_17^b C 1.1341(15) 0.1448(10) 0.2506(7) 0.125(10) Uani 0.454(11) 1 d . . P E
2
H31D_17 H 1.100444 0.136515 0.255607 0.188 Uiso 0.454(11) 1 calc R . P E 2
H31E_17 H 1.159668 0.134409 0.268434 0.188 Uiso 0.454(11) 1 calc R . P E 2
H31F_17 H 1.134200 0.165371 0.258781 0.188 Uiso 0.454(11) 1 calc R . P E 2
C32_17^b C 1.1484(15) 0.1096(5) 0.1895(13) 0.144(10) Uani 0.454(11) 1 d . . P E
2
H32D_17 H 1.156522 0.107796 0.158391 0.216 Uiso 0.454(11) 1 calc R . P E 2
H32E_17 H 1.174625 0.099714 0.207353 0.216 Uiso 0.454(11) 1 calc R . P E 2
H32F_17 H 1.115274 0.100664 0.194657 0.216 Uiso 0.454(11) 1 calc R . P E 2
C33_17^b C 1.1996(8) 0.1550(9) 0.1951(12) 0.155(11) Uani 0.454(11) 1 d . . P E
2
H33D_17 H 1.208215 0.153264 0.164061 0.232 Uiso 0.454(11) 1 calc R . P E 2
H33E_17 H 1.199475 0.175533 0.203470 0.232 Uiso 0.454(11) 1 calc R . P E 2
H33F_17 H 1.224943 0.144572 0.213122 0.232 Uiso 0.454(11) 1 calc R . P E 2
O1_18 O 0.7991(3) 0.31721(18) 0.1745(2) 0.0885(19) Uani 1 1 d . . . . .
N2_18 N 0.8804(5) 0.2305(2) 0.1600(3) 0.100(3) Uani 1 1 d . . . . .
H2A_18 H 0.878814 0.228639 0.188646 0.120 Uiso 1 1 calc R . . . .
H2B_18 H 0.895526 0.217070 0.144401 0.120 Uiso 1 1 calc R . . . .
N3_18 N 0.8120(4) 0.3042(2) 0.1035(3) 0.089(2) Uani 1 1 d . . . . .
C4_18 C 0.8154(5) 0.2993(3) 0.1478(4) 0.081(3) Uani 1 1 d . . . . .
N5_18 N 0.8368(4) 0.2738(2) 0.1640(3) 0.085(2) Uani 1 1 d . . . . .
H5_18 H 0.835100 0.270698 0.192450 0.102 Uiso 1 1 calc R . . . .
C6_18 C 0.8598(5) 0.2535(3) 0.1402(3) 0.086(3) Uani 1 1 d . . . . .
C7_18 C 0.8558(5) 0.2576(3) 0.0946(4) 0.097(3) Uani 1 1 d . . . . .
N8_18 N 0.8743(6) 0.2400(3) 0.0605(3) 0.125(4) Uani 1 1 d . . . . .
C9_18 C 0.8627(9) 0.2572(4) 0.0261(4) 0.157(8) Uani 1 1 d . . . . .
H9_18 H 0.872085 0.252426 -0.002902 0.188 Uiso 1 1 calc R . . . .
N10_18 N 0.8371(6) 0.2814(3) 0.0355(3) 0.136(5) Uani 1 1 d . . . . .
C11_18 C 0.8339(6) 0.2821(3) 0.0812(3) 0.107(4) Uani 1 1 d . . . . .
C12_18 C 0.8087(8) 0.3017(4) 0.0079(4) 0.194(7) Uani 1 1 d . U . . .
H12_18 H 0.781632 0.309823 0.026904 0.233 Uiso 1 1 calc R . . . .
O13_18 O 0.7831(7) 0.2883(4) -0.0270(4) 0.210(6) Uani 1 1 d . U . . .
C14_18 C 0.8028(9) 0.2994(4) -0.0670(4) 0.218(7) Uani 1 1 d . U . . .
H14_18 H 0.776093 0.311630 -0.081733 0.261 Uiso 1 1 calc R . . . .
C15_18 C 0.8483(9) 0.3185(4) -0.0548(5) 0.225(6) Uani 1 1 d . U . . .
H15_18 H 0.879509 0.306070 -0.055086 0.270 Uiso 0.567(15) 1 calc R . P F 1
H15A_18 H 0.882177 0.309339 -0.059866 0.270 Uiso 0.433(15) 1 calc R . P F 2
C16_18 C 0.8394(11) 0.3277(4) -0.0070(5) 0.202(7) Uani 1 1 d . U . . .
H16A_18 H 0.871749 0.329749 0.009997 0.243 Uiso 1 1 calc R . . . .
H16B_18 H 0.819772 0.346000 -0.005331 0.243 Uiso 1 1 calc R . . . .
C17_18 C 0.8177(9) 0.2754(6) -0.0978(8) 0.267(8) Uani 1 1 d . U . . .
H17A_18 H 0.837380 0.283769 -0.122003 0.320 Uiso 0.35(2) 1 calc R . P G 1
H17B_18 H 0.840029 0.261490 -0.081779 0.320 Uiso 0.35(2) 1 calc R . P G 1
H17C_18 H 0.833008 0.283305 -0.124630 0.320 Uiso 0.65(2) 1 calc R . P G 2
H17D_18 H 0.842073 0.261833 -0.083421 0.320 Uiso 0.65(2) 1 calc R . P G 2
O18_18^a O 0.7758(15) 0.2603(9) -0.1157(12) 0.286(9) Uani 0.35(2) 1 d . U P G 1
Si19_18^a Si 0.7452(14) 0.2622(8) -0.1630(10) 0.287(9) Uani 0.35(2) 1 d . U P G
1
C20_18^a C 0.713(3) 0.2978(10) -0.171(3) 0.277(16) Uani 0.35(2) 1 d . U P G 1
H20A_18 H 0.695255 0.297992 -0.199812 0.415 Uiso 0.35(2) 1 calc R . P G 1
H20B_18 H 0.688400 0.300827 -0.147958 0.415 Uiso 0.35(2) 1 calc R . P G 1
H20C_18 H 0.738376 0.313398 -0.170157 0.415 Uiso 0.35(2) 1 calc R . P G 1
C21_18^a C 0.789(3) 0.2560(17) -0.2093(16) 0.280(16) Uani 0.35(2) 1 d . U P G 1
H21A_18 H 0.769613 0.257244 -0.237121 0.420 Uiso 0.35(2) 1 calc R . P G 1
H21B_18 H 0.815691 0.270697 -0.208603 0.420 Uiso 0.35(2) 1 calc R . P G 1
H21C_18 H 0.804097 0.236633 -0.206434 0.420 Uiso 0.35(2) 1 calc R . P G 1
C22_18^a C 0.6982(16) 0.2316(9) -0.1568(11) 0.270(9) Uani 0.35(2) 1 d . U P G 1
C23_18^a C 0.6482(16) 0.2444(15) -0.1406(19) 0.229(10) Uani 0.35(2) 1 d . U P G
1
H23A_18 H 0.654411 0.254259 -0.112480 0.344 Uiso 0.35(2) 1 calc R . P G 1
H23B_18 H 0.634901 0.258424 -0.162186 0.344 Uiso 0.35(2) 1 calc R . P G 1
H23C_18 H 0.623371 0.228828 -0.136789 0.344 Uiso 0.35(2) 1 calc R . P G 1
C24_18^a C 0.689(3) 0.2161(13) -0.2009(13) 0.257(19) Uani 0.35(2) 1 d . U P G 1
H24A_18 H 0.721483 0.207980 -0.210824 0.385 Uiso 0.35(2) 1 calc R . P G 1
H24B_18 H 0.664587 0.200383 -0.197240 0.385 Uiso 0.35(2) 1 calc R . P G 1
H24C_18 H 0.676118 0.229979 -0.222636 0.385 Uiso 0.35(2) 1 calc R . P G 1
C25_18^a C 0.719(3) 0.2097(10) -0.1228(15) 0.246(17) Uani 0.35(2) 1 d . U P G 1
H25A_18 H 0.750498 0.201369 -0.132881 0.370 Uiso 0.35(2) 1 calc R . P G 1
H25B_18 H 0.724587 0.219573 -0.094660 0.370 Uiso 0.35(2) 1 calc R . P G 1
H25C_18 H 0.693541 0.194166 -0.119022 0.370 Uiso 0.35(2) 1 calc R . P G 1
O18_18^b O 0.7701(11) 0.2611(7) -0.1079(7) 0.289(8) Uani 0.65(2) 1 d . . P G 2
Si19_18^b Si 0.7621(9) 0.2490(4) -0.1586(6) 0.280(8) Uani 0.65(2) 1 d . . P G 2
C20_18^b C 0.8020(16) 0.2696(10) -0.1979(12) 0.276(14) Uani 0.65(2) 1 d . . P G
2
H20D_18 H 0.796311 0.261894 -0.227562 0.414 Uiso 0.65(2) 1 calc R . P G 2
H20E_18 H 0.792567 0.290161 -0.197295 0.414 Uiso 0.65(2) 1 calc R . P G 2
H20F_18 H 0.837933 0.267476 -0.189392 0.414 Uiso 0.65(2) 1 calc R . P G 2
C21_18^b C 0.777(2) 0.2098(5) -0.1599(15) 0.300(16) Uani 0.65(2) 1 d . . P G 2
H21D_18 H 0.772014 0.202493 -0.189947 0.450 Uiso 0.65(2) 1 calc R . P G 2
H21E_18 H 0.812074 0.206659 -0.150151 0.450 Uiso 0.65(2) 1 calc R . P G 2
H21F_18 H 0.753915 0.199378 -0.140397 0.450 Uiso 0.65(2) 1 calc R . P G 2
C22_18^b C 0.6934(9) 0.2583(7) -0.1712(8) 0.268(9) Uani 0.65(2) 1 d . . P G 2
C23_18^b C 0.6886(18) 0.2900(8) -0.1866(15) 0.285(17) Uani 0.65(2) 1 d . . P G
2
H23D_18 H 0.708015 0.292666 -0.213334 0.428 Uiso 0.65(2) 1 calc R . P G 2
H23E_18 H 0.652749 0.294555 -0.192602 0.428 Uiso 0.65(2) 1 calc R . P G 2
H23F_18 H 0.702037 0.302917 -0.163557 0.428 Uiso 0.65(2) 1 calc R . P G 2
C24_18^b C 0.6730(15) 0.2394(10) -0.2092(9) 0.276(16) Uani 0.65(2) 1 d . . P G
2
H24D_18 H 0.692670 0.243273 -0.235541 0.413 Uiso 0.65(2) 1 calc R . P G 2
H24E_18 H 0.676249 0.218892 -0.201254 0.413 Uiso 0.65(2) 1 calc R . P G 2
H24F_18 H 0.637146 0.244051 -0.215150 0.413 Uiso 0.65(2) 1 calc R . P G 2
C25_18^b C 0.6637(13) 0.2530(10) -0.1294(8) 0.229(10) Uani 0.65(2) 1 d . . P G
2
H25D_18 H 0.667555 0.232674 -0.120507 0.344 Uiso 0.65(2) 1 calc R . P G 2
H25E_18 H 0.676945 0.265649 -0.105946 0.344 Uiso 0.65(2) 1 calc R . P G 2
H25F_18 H 0.627657 0.257287 -0.134991 0.344 Uiso 0.65(2) 1 calc R . P G 2
O26_18^a O 0.8552(9) 0.3415(5) -0.0844(8) 0.252(8) Uani 0.567(15) 1 d . U P F 1
Si27_18^a Si 0.9139(8) 0.3495(4) -0.0999(4) 0.262(7) Uani 0.567(15) 1 d . U P F
1
C28_18^a C 0.9421(18) 0.3150(7) -0.1208(13) 0.275(16) Uani 0.567(15) 1 d . U P
F 1
H28A_18 H 0.976808 0.318667 -0.130379 0.413 Uiso 0.567(15) 1 calc R . P F 1
H28B_18 H 0.942746 0.300434 -0.097373 0.413 Uiso 0.567(15) 1 calc R . P F 1
H28C_18 H 0.921402 0.307796 -0.145675 0.413 Uiso 0.567(15) 1 calc R . P F 1
C29_18^a C 0.9574(13) 0.3634(8) -0.0565(12) 0.32(2) Uani 0.567(15) 1 d . U P F
1
H29A_18 H 0.990665 0.367390 -0.068987 0.482 Uiso 0.567(15) 1 calc R . P F 1
H29B_18 H 0.943409 0.381307 -0.044367 0.482 Uiso 0.567(15) 1 calc R . P F 1
H29C_18 H 0.961095 0.348846 -0.033229 0.482 Uiso 0.567(15) 1 calc R . P F 1
C30_18^a C 0.9014(13) 0.3762(6) -0.1457(8) 0.278(10) Uani 0.567(15) 1 d . U P F
1
C31_18^a C 0.867(2) 0.3628(11) -0.1812(11) 0.282(15) Uani 0.567(15) 1 d . U P F
1
H31A_18 H 0.834160 0.357356 -0.168453 0.422 Uiso 0.567(15) 1 calc R . P F 1
H31B_18 H 0.860565 0.377074 -0.204671 0.422 Uiso 0.567(15) 1 calc R . P F 1
H31C_18 H 0.882947 0.345583 -0.193363 0.422 Uiso 0.567(15) 1 calc R . P F 1
C32_18^a C 0.874(3) 0.4030(9) -0.1269(13) 0.292(17) Uani 0.567(15) 1 d . U P F
1
H32A_18 H 0.841600 0.397004 -0.114616 0.438 Uiso 0.567(15) 1 calc R . P F 1
H32B_18 H 0.895511 0.411759 -0.103747 0.438 Uiso 0.567(15) 1 calc R . P F 1
H32C_18 H 0.867907 0.417151 -0.150355 0.438 Uiso 0.567(15) 1 calc R . P F 1
C33_18^a C 0.9522(17) 0.3849(13) -0.1650(17) 0.33(2) Uani 0.567(15) 1 d . U P F
1
H33A_18 H 0.974129 0.393351 -0.141975 0.494 Uiso 0.567(15) 1 calc R . P F 1
H33B_18 H 0.968783 0.367660 -0.177109 0.494 Uiso 0.567(15) 1 calc R . P F 1
H33C_18 H 0.946401 0.399151 -0.188417 0.494 Uiso 0.567(15) 1 calc R . P F 1
O26_18^b O 0.8357(13) 0.3423(6) -0.0841(7) 0.247(8) Uani 0.433(15) 1 d . . P F
2
Si27_18^b Si 0.8653(12) 0.3556(5) -0.1262(5) 0.262(8) Uani 0.433(15) 1 d . . P
F 2
C28_18^b C 0.9238(17) 0.3338(13) -0.1352(13) 0.264(14) Uani 0.433(15) 1 d . . P
F 2
H28D_18 H 0.941759 0.341583 -0.160399 0.395 Uiso 0.433(15) 1 calc R . P F 2
H28E_18 H 0.945952 0.334785 -0.108963 0.395 Uiso 0.433(15) 1 calc R . P F 2
H28F_18 H 0.914342 0.313542 -0.140913 0.395 Uiso 0.433(15) 1 calc R . P F 2
C29_18^b C 0.885(3) 0.3940(7) -0.1136(16) 0.294(16) Uani 0.433(15) 1 d . . P F
2
H29D_18 H 0.902377 0.402115 -0.138684 0.441 Uiso 0.433(15) 1 calc R . P F 2
H29E_18 H 0.854252 0.405589 -0.107913 0.441 Uiso 0.433(15) 1 calc R . P F 2
H29F_18 H 0.907261 0.394224 -0.087638 0.441 Uiso 0.433(15) 1 calc R . P F 2
C30_18^b C 0.8210(16) 0.3550(9) -0.1752(9) 0.286(13) Uani 0.433(15) 1 d . . P F
2
C31_18^b C 0.825(3) 0.3264(13) -0.2003(18) 0.32(2) Uani 0.433(15) 1 d . . P F 2
H31D_18 H 0.816450 0.310253 -0.180705 0.487 Uiso 0.433(15) 1 calc R . P F 2
H31E_18 H 0.800598 0.326582 -0.225284 0.487 Uiso 0.433(15) 1 calc R . P F 2
H31F_18 H 0.859304 0.323950 -0.210875 0.487 Uiso 0.433(15) 1 calc R . P F 2
C32_18^b C 0.7659(15) 0.3593(19) -0.160(2) 0.31(2) Uani 0.433(15) 1 d . . P F 2
H32D_18 H 0.763520 0.377679 -0.143664 0.466 Uiso 0.433(15) 1 calc R . P F 2
H32E_18 H 0.742589 0.359750 -0.185252 0.466 Uiso 0.433(15) 1 calc R . P F 2
H32F_18 H 0.756667 0.343236 -0.140418 0.466 Uiso 0.433(15) 1 calc R . P F 2
C33_18^b C 0.834(3) 0.3803(14) -0.2059(15) 0.30(2) Uani 0.433(15) 1 d . . P F 2
H33D_18 H 0.831492 0.398689 -0.189849 0.457 Uiso 0.433(15) 1 calc R . P F 2
H33E_18 H 0.868495 0.377892 -0.216506 0.457 Uiso 0.433(15) 1 calc R . P F 2
H33F_18 H 0.809789 0.380525 -0.230915 0.457 Uiso 0.433(15) 1 calc R . P F 2
O1_19 O 0.7510(3) 0.37523(16) 0.2216(2) 0.0819(18) Uani 1 1 d . . . . .
N2_19 N 0.7606(4) 0.3555(2) 0.0745(3) 0.089(2) Uani 1 1 d . . . . .
H2A_19 H 0.777868 0.339963 0.082320 0.107 Uiso 1 1 calc R . . . .
H2B_19 H 0.754959 0.359393 0.046559 0.107 Uiso 1 1 calc R . . . .
N3_19 N 0.7101(4) 0.40872(18) 0.1761(2) 0.079(2) Uani 1 1 d . . . . .
C4_19 C 0.7367(4) 0.3840(2) 0.1833(3) 0.080(3) Uani 1 1 d . . . . .
N5_19 N 0.7524(4) 0.36651(19) 0.1478(2) 0.080(2) Uani 1 1 d . . . . .
H5_19 H 0.769079 0.350438 0.154069 0.096 Uiso 1 1 calc R . . . .
C6_19 C 0.7432(4) 0.3729(2) 0.1044(3) 0.081(3) Uani 1 1 d . . . . .
C7_19 C 0.7159(5) 0.3983(2) 0.0978(3) 0.082(3) Uani 1 1 d . . . . .
N8_19 N 0.6976(4) 0.4119(2) 0.0594(3) 0.091(3) Uani 1 1 d . . . . .
C9_19 C 0.6701(5) 0.4343(3) 0.0731(3) 0.086(3) Uani 1 1 d . . . . .
H9_19 H 0.651388 0.446845 0.054114 0.104 Uiso 1 1 calc R . . . .
N10_19 N 0.6722(3) 0.43695(17) 0.1179(2) 0.084(2) Uani 1 1 d . . . . .
C11_19 C 0.7000(4) 0.4141(2) 0.1340(3) 0.077(3) Uani 1 1 d . . . . .
C12_19 C 0.6443(3) 0.45785(18) 0.1440(3) 0.080(2) Uani 1 1 d . U . . .
H12_19 H 0.636656 0.448827 0.172921 0.096 Uiso 1 1 calc R . . . .
O13_19 O 0.5977(3) 0.46452(14) 0.1219(2) 0.0865(18) Uani 1 1 d . U . . .
C14_19 C 0.5947(4) 0.49530(19) 0.1134(3) 0.087(3) Uani 1 1 d . U . . .
H14_19 H 0.574728 0.504872 0.136914 0.104 Uiso 1 1 calc R . . . .
C15_19 C 0.6492(4) 0.50609(18) 0.1157(3) 0.088(3) Uani 1 1 d . U . . .
H15_19 H 0.666214 0.502370 0.087266 0.106 Uiso 1 1 calc R . . . .
C16_19 C 0.6728(4) 0.48673(19) 0.1522(4) 0.088(3) Uani 1 1 d . U . . .
H16A_19 H 0.666149 0.494577 0.181768 0.106 Uiso 1 1 calc R . . . .
H16B_19 H 0.709953 0.484424 0.148776 0.106 Uiso 1 1 calc R . . . .
C17_19 C 0.5684(4) 0.5001(3) 0.0696(4) 0.106(3) Uani 1 1 d . U . . .
H17A_19 H 0.574502 0.520368 0.060252 0.128 Uiso 0.551(11) 1 calc R . P H 1
H17B_19 H 0.583940 0.487150 0.047738 0.128 Uiso 0.551(11) 1 calc R . P H 1
H17C_19 H 0.568211 0.521008 0.062047 0.128 Uiso 0.449(11) 1 calc R . P H 2
H17D_19 H 0.586040 0.489351 0.046306 0.128 Uiso 0.449(11) 1 calc R . P H 2
O18_19^a O 0.5148(4) 0.4950(4) 0.0695(8) 0.115(4) Uani 0.551(11) 1 d . U P H 1
Si19_19^a Si 0.4714(3) 0.51987(15) 0.0565(2) 0.100(2) Uani 0.551(11) 1 d . U P
H 1
C20_19^a C 0.4686(13) 0.5472(5) 0.1017(8) 0.128(8) Uani 0.551(11) 1 d . U P H 1
H20A_19 H 0.443011 0.561976 0.094155 0.192 Uiso 0.551(11) 1 calc R . P H 1
H20B_19 H 0.459448 0.537551 0.129005 0.192 Uiso 0.551(11) 1 calc R . P H 1
H20C_19 H 0.501939 0.556527 0.105534 0.192 Uiso 0.551(11) 1 calc R . P H 1
C21_19^a C 0.4903(9) 0.5379(5) 0.0048(6) 0.116(7) Uani 0.551(11) 1 d . U P H 1
H21A_19 H 0.465015 0.552707 -0.003359 0.173 Uiso 0.551(11) 1 calc R . P H 1
H21B_19 H 0.523618 0.547125 0.009171 0.173 Uiso 0.551(11) 1 calc R . P H 1
H21C_19 H 0.492200 0.523446 -0.018659 0.173 Uiso 0.551(11) 1 calc R . P H 1
C22_19^a C 0.4074(5) 0.5017(3) 0.0531(6) 0.113(5) Uani 0.551(11) 1 d . U P H 1
C23_19^a C 0.4007(8) 0.4843(5) 0.0954(7) 0.102(6) Uani 0.551(11) 1 d . U P H 1
H23A_19 H 0.401960 0.497493 0.120670 0.153 Uiso 0.551(11) 1 calc R . P H 1
H23B_19 H 0.367761 0.474354 0.094258 0.153 Uiso 0.551(11) 1 calc R . P H 1
H23C_19 H 0.428034 0.469952 0.098424 0.153 Uiso 0.551(11) 1 calc R . P H 1
C24_19^a C 0.3648(8) 0.5245(5) 0.0485(9) 0.134(9) Uani 0.551(11) 1 d . U P H 1
H24A_19 H 0.366896 0.537980 0.073302 0.200 Uiso 0.551(11) 1 calc R . P H 1
H24B_19 H 0.368565 0.535185 0.021027 0.200 Uiso 0.551(11) 1 calc R . P H 1
H24C_19 H 0.331687 0.514665 0.048284 0.200 Uiso 0.551(11) 1 calc R . P H 1
C25_19^a C 0.4052(9) 0.4803(5) 0.0150(7) 0.118(7) Uani 0.551(11) 1 d . U P H 1
H25A_19 H 0.409380 0.490831 -0.012632 0.177 Uiso 0.551(11) 1 calc R . P H 1
H25B_19 H 0.432484 0.466011 0.018668 0.177 Uiso 0.551(11) 1 calc R . P H 1
H25C_19 H 0.372211 0.470413 0.014502 0.177 Uiso 0.551(11) 1 calc R . P H 1
O18_19^b O 0.5180(5) 0.4897(5) 0.0739(8) 0.114(5) Uani 0.449(11) 1 d . . P H 2
Si19_19^b Si 0.4688(4) 0.4997(2) 0.0435(4) 0.159(4) Uani 0.449(11) 1 d . . P H
2
C20_19^b C 0.4786(15) 0.4891(8) -0.0149(6) 0.187(13) Uani 0.449(11) 1 d . . P H
2
H20D_19 H 0.449081 0.495111 -0.032871 0.280 Uiso 0.449(11) 1 calc R . P H 2
H20E_19 H 0.509236 0.498560 -0.025652 0.280 Uiso 0.449(11) 1 calc R . P H 2
H20F_19 H 0.482560 0.467963 -0.016773 0.280 Uiso 0.449(11) 1 calc R . P H 2
C21_19^b C 0.4132(9) 0.4789(7) 0.0644(12) 0.161(10) Uani 0.449(11) 1 d . . P H
2
H21D_19 H 0.382532 0.484092 0.047273 0.241 Uiso 0.449(11) 1 calc R . P H 2
H21E_19 H 0.419651 0.458046 0.061462 0.241 Uiso 0.449(11) 1 calc R . P H 2
H21F_19 H 0.408292 0.483654 0.095332 0.241 Uiso 0.449(11) 1 calc R . P H 2
C22_19^b C 0.4593(9) 0.5398(3) 0.0489(8) 0.145(6) Uani 0.449(11) 1 d . . P H 2
C23_19^b C 0.4888(16) 0.5553(7) 0.0130(13) 0.175(12) Uani 0.449(11) 1 d . . P H
2
H23D_19 H 0.477399 0.548122 -0.015839 0.263 Uiso 0.449(11) 1 calc R . P H 2
H23E_19 H 0.482611 0.576240 0.014757 0.263 Uiso 0.449(11) 1 calc R . P H 2
H23F_19 H 0.525246 0.551472 0.017139 0.263 Uiso 0.449(11) 1 calc R . P H 2
C24_19^b C 0.4021(10) 0.5467(7) 0.0417(14) 0.167(11) Uani 0.449(11) 1 d . . P H
2
H24D_19 H 0.390953 0.540117 0.012479 0.251 Uiso 0.449(11) 1 calc R . P H 2
H24E_19 H 0.382343 0.536653 0.064017 0.251 Uiso 0.449(11) 1 calc R . P H 2
H24F_19 H 0.396695 0.567672 0.044169 0.251 Uiso 0.449(11) 1 calc R . P H 2
C25_19^b C 0.4756(18) 0.5502(8) 0.0944(11) 0.153(11) Uani 0.449(11) 1 d . . P H
2
H25D_19 H 0.456082 0.539816 0.116466 0.229 Uiso 0.449(11) 1 calc R . P H 2
H25E_19 H 0.511954 0.546281 0.099166 0.229 Uiso 0.449(11) 1 calc R . P H 2
H25F_19 H 0.469320 0.571049 0.096784 0.229 Uiso 0.449(11) 1 calc R . P H 2
O26_19 O 0.6493(3) 0.53597(14) 0.1251(3) 0.098(2) Uani 1 1 d . U . . .
Si27_19 Si 0.70061(16) 0.55706(8) 0.12940(13) 0.1085(12) Uani 1 1 d . U . . .
C28_19 C 0.7318(7) 0.5494(4) 0.1829(4) 0.141(6) Uani 1 1 d . U . . .
H28A_19 H 0.762182 0.561524 0.186408 0.212 Uiso 1 1 calc R . . . .
H28B_19 H 0.708154 0.553703 0.206443 0.212 Uiso 1 1 calc R . . . .
H28C_19 H 0.741495 0.528877 0.184261 0.212 Uiso 1 1 calc R . . . .
C29_19 C 0.7461(5) 0.5496(3) 0.0847(4) 0.119(4) Uani 1 1 d . U . . .
H29A_19 H 0.775750 0.562286 0.088119 0.178 Uiso 1 1 calc R . . . .
H29B_19 H 0.757008 0.529253 0.086255 0.178 Uiso 1 1 calc R . . . .
H29C_19 H 0.729307 0.553223 0.056175 0.178 Uiso 1 1 calc R . . . .
C30_19 C 0.6734(5) 0.5944(2) 0.1235(4) 0.125(4) Uani 1 1 d . U . . .
C31_19 C 0.6343(8) 0.5996(4) 0.1588(7) 0.170(7) Uani 1 1 d . U . . .
H31A_19 H 0.650369 0.596859 0.187818 0.256 Uiso 1 1 calc R . . . .
H31B_19 H 0.621409 0.619540 0.156319 0.256 Uiso 1 1 calc R . . . .
H31C_19 H 0.606110 0.585927 0.154932 0.256 Uiso 1 1 calc R . . . .
C32_19 C 0.6490(7) 0.5986(3) 0.0778(5) 0.144(6) Uani 1 1 d . U . . .
H32A_19 H 0.674521 0.595165 0.055370 0.215 Uiso 1 1 calc R . . . .
H32B_19 H 0.620866 0.584897 0.073649 0.215 Uiso 1 1 calc R . . . .
H32C_19 H 0.636165 0.618510 0.075036 0.215 Uiso 1 1 calc R . . . .
C33_19 C 0.7166(7) 0.6167(3) 0.1292(7) 0.155(7) Uani 1 1 d . U . . .
H33A_19 H 0.742010 0.613561 0.106691 0.233 Uiso 1 1 calc R . . . .
H33B_19 H 0.702612 0.636361 0.126268 0.233 Uiso 1 1 calc R . . . .
H33C_19 H 0.732610 0.614478 0.158357 0.233 Uiso 1 1 calc R . . . .
O1_20 O 0.7581(3) 0.36610(14) 0.32883(19) 0.0720(15) Uani 1 1 d . . . . .
N2_20 N 0.6957(4) 0.44421(18) 0.2521(3) 0.080(2) Uani 1 1 d . . . . .
H2A_20 H 0.705284 0.435127 0.228310 0.096 Uiso 1 1 calc R . . . .
H2B_20 H 0.681532 0.461473 0.250093 0.096 Uiso 1 1 calc R . . . .
N3_20 N 0.7239(3) 0.40141(15) 0.3712(2) 0.0634(17) Uani 1 1 d . . . . .
C4_20 C 0.7366(4) 0.3900(2) 0.3326(3) 0.071(2) Uani 1 1 d . . . . .
N5_20 N 0.7249(3) 0.40492(15) 0.2932(2) 0.0644(17) Uani 1 1 d . . . . .
H5_20 H 0.732414 0.396389 0.268315 0.077 Uiso 1 1 calc R . . . .
C6_20 C 0.7027(4) 0.4319(2) 0.2911(3) 0.070(2) Uani 1 1 d . . . . .
C7_20 C 0.6904(4) 0.44345(18) 0.3311(3) 0.070(2) Uani 1 1 d . . . . .
N8_20 N 0.6664(3) 0.46963(16) 0.3416(3) 0.0722(19) Uani 1 1 d . . . . .
C9_20 C 0.6627(4) 0.4684(2) 0.3850(3) 0.075(2) Uani 1 1 d . . . . .
H9_20 H 0.647544 0.483236 0.401896 0.090 Uiso 1 1 calc R . . . .
N10_20 N 0.6830(3) 0.44343(16) 0.4030(2) 0.0682(18) Uani 1 1 d . . . . .
C11_20 C 0.7010(3) 0.42750(18) 0.3677(3) 0.063(2) Uani 1 1 d . . . . .
C12_20 C 0.6797(3) 0.4330(2) 0.4481(2) 0.071(2) Uani 1 1 d . U . . .
H12_20 H 0.678001 0.411288 0.447725 0.085 Uiso 1 1 calc R . . . .
O13_20 O 0.6346(2) 0.44381(17) 0.4648(2) 0.0862(17) Uani 1 1 d . U . . .
C14_20 C 0.6454(3) 0.4618(2) 0.5021(3) 0.094(2) Uani 1 1 d . U . . .
H14_20 H 0.638926 0.450693 0.529681 0.112 Uiso 1 1 calc R . . . .
C15_20 C 0.7022(3) 0.46957(19) 0.5000(3) 0.083(2) Uani 1 1 d . U . . .
H15_20 H 0.707186 0.486947 0.480928 0.099 Uiso 1 1 calc R . . . .
C16_20 C 0.7234(3) 0.44231(18) 0.4783(3) 0.0682(19) Uani 1 1 d . U . . .
H16A_20 H 0.754191 0.446798 0.461471 0.082 Uiso 1 1 calc R . . . .
H16B_20 H 0.731655 0.427130 0.500280 0.082 Uiso 1 1 calc R . . . .
C17_20 C 0.6085(4) 0.4857(3) 0.4974(5) 0.120(4) Uani 1 1 d . U . . .
H17A_20 H 0.614790 0.500105 0.521078 0.144 Uiso 0.785(11) 1 calc R . P I 1
H17B_20 H 0.613350 0.495579 0.468967 0.144 Uiso 0.785(11) 1 calc R . P I 1
H17C_20 H 0.623482 0.503757 0.509796 0.144 Uiso 0.215(11) 1 calc R . P I 2
H17D_20 H 0.600551 0.489088 0.465948 0.144 Uiso 0.215(11) 1 calc R . P I 2
O18_20^a O 0.5559(3) 0.4751(3) 0.4996(3) 0.110(3) Uani 0.785(11) 1 d . U P I 1
Si19_20^a Si 0.5097(2) 0.48530(13) 0.53336(17) 0.1117(19) Uani 0.785(11) 1 d .
U P I 1
C20_20^a C 0.4659(7) 0.4531(4) 0.5348(7) 0.125(5) Uani 0.785(11) 1 d . U P I 1
H20A_20 H 0.437513 0.457277 0.554116 0.187 Uiso 0.785(11) 1 calc R . P I 1
H20B_20 H 0.452741 0.448971 0.505159 0.187 Uiso 0.785(11) 1 calc R . P I 1
H20C_20 H 0.484647 0.436121 0.546046 0.187 Uiso 0.785(11) 1 calc R . P I 1
C21_20^a C 0.5383(9) 0.4913(6) 0.5889(5) 0.165(8) Uani 0.785(11) 1 d . U P I 1
H21A_20 H 0.511782 0.497306 0.609006 0.248 Uiso 0.785(11) 1 calc R . P I 1
H21B_20 H 0.554049 0.473270 0.599472 0.248 Uiso 0.785(11) 1 calc R . P I 1
H21C_20 H 0.564267 0.506536 0.587399 0.248 Uiso 0.785(11) 1 calc R . P I 1
C22_20^a C 0.4784(6) 0.5169(3) 0.5060(5) 0.135(4) Uani 0.785(11) 1 d . U P I 1
C23_20^a C 0.4518(9) 0.5065(5) 0.4640(6) 0.146(8) Uani 0.785(11) 1 d . U P I 1
H23A_20 H 0.476836 0.497923 0.444585 0.220 Uiso 0.785(11) 1 calc R . P I 1
H23B_20 H 0.426166 0.491916 0.471231 0.220 Uiso 0.785(11) 1 calc R . P I 1
H23C_20 H 0.435173 0.522985 0.449250 0.220 Uiso 0.785(11) 1 calc R . P I 1
C24_20^a C 0.4405(8) 0.5306(5) 0.5376(7) 0.137(7) Uani 0.785(11) 1 d . U P I 1
H24A_20 H 0.458707 0.537102 0.564237 0.206 Uiso 0.785(11) 1 calc R . P I 1
H24B_20 H 0.423833 0.547266 0.523370 0.206 Uiso 0.785(11) 1 calc R . P I 1
H24C_20 H 0.414826 0.516197 0.545351 0.206 Uiso 0.785(11) 1 calc R . P I 1
C25_20^a C 0.5161(7) 0.5413(4) 0.4954(8) 0.142(6) Uani 0.785(11) 1 d . U P I 1
H25A_20 H 0.533059 0.547891 0.522509 0.214 Uiso 0.785(11) 1 calc R . P I 1
H25B_20 H 0.541511 0.533905 0.475176 0.214 Uiso 0.785(11) 1 calc R . P I 1
H25C_20 H 0.497705 0.557528 0.481649 0.214 Uiso 0.785(11) 1 calc R . P I 1
O18_20^b O 0.5631(7) 0.4788(3) 0.5197(10) 0.130(7) Uani 0.215(11) 1 d . . P I 2
Si19_20^b Si 0.5307(6) 0.5026(5) 0.5485(6) 0.149(6) Uani 0.215(11) 1 d . . P I
2
C20_20^b C 0.545(2) 0.5004(7) 0.6077(7) 0.178(17) Uani 0.215(11) 1 d . . P I 2
H20D_20 H 0.525033 0.514859 0.623166 0.266 Uiso 0.215(11) 1 calc R . P I 2
H20E_20 H 0.536651 0.480927 0.618327 0.266 Uiso 0.215(11) 1 calc R . P I 2
H20F_20 H 0.581430 0.504101 0.613070 0.266 Uiso 0.215(11) 1 calc R . P I 2
C21_20^b C 0.546(2) 0.5394(6) 0.5259(11) 0.172(15) Uani 0.215(11) 1 d . . P I 2
H21D_20 H 0.527157 0.554198 0.542195 0.258 Uiso 0.215(11) 1 calc R . P I 2
H21E_20 H 0.582346 0.543003 0.528996 0.258 Uiso 0.215(11) 1 calc R . P I 2
H21F_20 H 0.535486 0.540193 0.494855 0.258 Uiso 0.215(11) 1 calc R . P I 2
C22_20^b C 0.4636(8) 0.4921(7) 0.5327(11) 0.135(7) Uani 0.215(11) 1 d . . P I 2
C23_20^b C 0.4538(18) 0.4604(7) 0.544(2) 0.136(14) Uani 0.215(11) 1 d . . P I 2
H23D_20 H 0.459929 0.457435 0.575743 0.204 Uiso 0.215(11) 1 calc R . P I 2
H23E_20 H 0.418376 0.455468 0.536693 0.204 Uiso 0.215(11) 1 calc R . P I 2
H23F_20 H 0.476608 0.447923 0.527669 0.204 Uiso 0.215(11) 1 calc R . P I 2
C24_20^b C 0.4289(8) 0.5123(8) 0.5583(11) 0.160(17) Uani 0.215(11) 1 d . . P I
2
H24D_20 H 0.435972 0.532444 0.550320 0.241 Uiso 0.215(11) 1 calc R . P I 2
H24E_20 H 0.393306 0.507693 0.551044 0.241 Uiso 0.215(11) 1 calc R . P I 2
H24F_20 H 0.435215 0.509578 0.589820 0.241 Uiso 0.215(11) 1 calc R . P I 2
C25_20^b C 0.4543(17) 0.4974(13) 0.4838(10) 0.121(12) Uani 0.215(11) 1 d . . P
I 2
H25D_20 H 0.460864 0.517869 0.477183 0.182 Uiso 0.215(11) 1 calc R . P I 2
H25E_20 H 0.477180 0.485139 0.466960 0.182 Uiso 0.215(11) 1 calc R . P I 2
H25F_20 H 0.418948 0.492684 0.475983 0.182 Uiso 0.215(11) 1 calc R . P I 2
O26_20 O 0.7208(3) 0.47495(17) 0.5426(2) 0.104(2) Uani 1 1 d . U . . .
Si27_20 Si 0.77349(16) 0.49168(7) 0.55869(12) 0.1034(10) Uani 1 1 d . U . . .
C28_20 C 0.8302(6) 0.4742(5) 0.5322(7) 0.169(7) Uani 1 1 d . U . . .
H28A_20 H 0.861335 0.484224 0.541907 0.253 Uiso 1 1 calc R . . . .
H28B_20 H 0.832161 0.453740 0.540809 0.253 Uiso 1 1 calc R . . . .
H28C_20 H 0.826415 0.475631 0.500240 0.253 Uiso 1 1 calc R . . . .
C29_20 C 0.7740(8) 0.5298(3) 0.5384(8) 0.171(8) Uani 1 1 d . U . . .
H29A_20 H 0.805463 0.539407 0.548247 0.257 Uiso 1 1 calc R . . . .
H29B_20 H 0.771928 0.529885 0.506217 0.257 Uiso 1 1 calc R . . . .
H29C_20 H 0.744710 0.540312 0.549920 0.257 Uiso 1 1 calc R . . . .
C30_20 C 0.7799(7) 0.4882(3) 0.6187(3) 0.165(5) Uani 1 1 d . U . . .
C31_20 C 0.7921(12) 0.4568(4) 0.6310(7) 0.218(10) Uani 1 1 d . U . . .
H31A_20 H 0.765529 0.444010 0.618937 0.327 Uiso 1 1 calc R . . . .
H31B_20 H 0.824992 0.451371 0.618819 0.327 Uiso 1 1 calc R . . . .
H31C_20 H 0.793796 0.454885 0.662976 0.327 Uiso 1 1 calc R . . . .
C32_20 C 0.7294(8) 0.4955(7) 0.6400(8) 0.237(12) Uani 1 1 d . U . . .
H32A_20 H 0.703142 0.481910 0.629558 0.355 Uiso 1 1 calc R . . . .
H32B_20 H 0.733275 0.493958 0.671963 0.355 Uiso 1 1 calc R . . . .
H32C_20 H 0.719327 0.515362 0.632134 0.355 Uiso 1 1 calc R . . . .
C33_20 C 0.8192(11) 0.5099(6) 0.6360(7) 0.248(12) Uani 1 1 d . U . . .
H33A_20 H 0.809193 0.529599 0.627077 0.372 Uiso 1 1 calc R . . . .
H33B_20 H 0.821322 0.508859 0.668104 0.372 Uiso 1 1 calc R . . . .
H33C_20 H 0.852518 0.505344 0.623947 0.372 Uiso 1 1 calc R . . . .
O1_21 O 0.6463(3) 0.32978(14) 0.3461(2) 0.0760(16) Uani 1 1 d . . . . .
N2_21 N 0.7005(3) 0.26077(15) 0.4451(2) 0.0650(17) Uani 1 1 d . . . . .
H2A_21 H 0.710146 0.250326 0.422562 0.078 Uiso 1 1 calc R . . . .
H2B_21 H 0.704818 0.254067 0.471924 0.078 Uiso 1 1 calc R . . . .
N3_21 N 0.6343(3) 0.34191(14) 0.4182(2) 0.0653(17) Uani 1 1 d . . . . .
C4_21 C 0.6505(4) 0.32407(19) 0.3869(3) 0.065(2) Uani 1 1 d . . . . .
N5_21 N 0.6727(3) 0.29694(14) 0.3973(2) 0.0583(15) Uani 1 1 d . . . . .
H5_21 H 0.682950 0.285925 0.375669 0.070 Uiso 1 1 calc R . . . .
C6_21 C 0.6790(3) 0.28709(18) 0.4384(3) 0.0608(19) Uani 1 1 d . . . . .
C7_21 C 0.6631(3) 0.30524(17) 0.4721(3) 0.0593(19) Uani 1 1 d . . . . .
N8_21 N 0.6645(3) 0.30254(16) 0.5177(2) 0.0677(18) Uani 1 1 d . . . . .
C9_21 C 0.6436(4) 0.32657(19) 0.5311(3) 0.072(2) Uani 1 1 d . . . . .
H9_21 H 0.638711 0.330788 0.561169 0.086 Uiso 1 1 calc R . . . .
N10_21 N 0.6294(3) 0.34521(14) 0.4980(2) 0.0678(17) Uani 1 1 d . . . . .
C11_21 C 0.6415(3) 0.33161(18) 0.4592(3) 0.063(2) Uani 1 1 d . . . . .
C12_21 C 0.6067(3) 0.37405(17) 0.5036(3) 0.076(2) Uani 1 1 d . U . . .
H12_21 H 0.606405 0.384505 0.474870 0.091 Uiso 1 1 calc R . . . .
O13_21 O 0.6380(2) 0.38955(14) 0.5343(2) 0.0793(16) Uani 1 1 d . U . . .
C14_21 C 0.6075(3) 0.3990(2) 0.5705(3) 0.089(2) Uani 1 1 d . U . . .
H14_21 H 0.594637 0.419055 0.564052 0.107 Uiso 1 1 calc R . . . .
C15_21 C 0.5623(3) 0.3781(2) 0.5708(3) 0.091(3) Uani 1 1 d . U . . .
H15_21 H 0.571084 0.359470 0.586033 0.110 Uiso 0.610(13) 1 calc R . P J 1
H15A_21 H 0.573575 0.359278 0.584187 0.110 Uiso 0.390(13) 1 calc R . P J 2
C16_21 C 0.5525(3) 0.3735(2) 0.5214(3) 0.088(2) Uani 1 1 d . U . . .
H16A_21 H 0.531403 0.389331 0.508624 0.105 Uiso 1 1 calc R . . . .
H16B_21 H 0.535614 0.354654 0.515431 0.105 Uiso 1 1 calc R . . . .
C17_21 C 0.6405(5) 0.4000(2) 0.6113(3) 0.104(3) Uani 1 1 d . U . . .
H17A_21 H 0.668689 0.413891 0.607123 0.125 Uiso 0.722(13) 1 calc R . P K 1
H17B_21 H 0.620144 0.406966 0.636144 0.125 Uiso 0.722(13) 1 calc R . P K 1
H17C_21 H 0.672162 0.410796 0.605429 0.125 Uiso 0.278(13) 1 calc R . P K 2
H17D_21 H 0.622383 0.410281 0.634832 0.125 Uiso 0.278(13) 1 calc R . P K 2
O18_21^a O 0.6608(7) 0.3723(3) 0.6216(5) 0.116(4) Uani 0.722(13) 1 d . U P K 1
Si19_21^a Si 0.6970(3) 0.36753(16) 0.66623(17) 0.129(3) Uani 0.722(13) 1 d . U
P K 1
C20_21^a C 0.7576(7) 0.3882(5) 0.6623(9) 0.144(7) Uani 0.722(13) 1 d . U P K 1
H20A_21 H 0.778358 0.385031 0.689000 0.216 Uiso 0.722(13) 1 calc R . P K 1
H20B_21 H 0.776258 0.381397 0.636782 0.216 Uiso 0.722(13) 1 calc R . P K 1
H20C_21 H 0.750105 0.408890 0.659093 0.216 Uiso 0.722(13) 1 calc R . P K 1
C21_21^a C 0.6625(13) 0.3802(7) 0.7152(8) 0.187(10) Uani 0.722(13) 1 d . U P K
1
H21A_21 H 0.683919 0.377425 0.741528 0.280 Uiso 0.722(13) 1 calc R . P K 1
H21B_21 H 0.654314 0.400895 0.711872 0.280 Uiso 0.722(13) 1 calc R . P K 1
H21C_21 H 0.630948 0.369109 0.717905 0.280 Uiso 0.722(13) 1 calc R . P K 1
C22_21^a C 0.7079(7) 0.3272(3) 0.6672(5) 0.146(5) Uani 0.722(13) 1 d . U P K 1
C23_21^a C 0.7388(9) 0.3182(5) 0.6273(6) 0.123(7) Uani 0.722(13) 1 d . U P K 1
H23A_21 H 0.720556 0.323975 0.600344 0.185 Uiso 0.722(13) 1 calc R . P K 1
H23B_21 H 0.772055 0.327790 0.628723 0.185 Uiso 0.722(13) 1 calc R . P K 1
H23C_21 H 0.743540 0.297105 0.627510 0.185 Uiso 0.722(13) 1 calc R . P K 1
C24_21^a C 0.7385(12) 0.3175(6) 0.7078(7) 0.182(10) Uani 0.722(13) 1 d . U P K
1
H24A_21 H 0.720196 0.322824 0.734258 0.273 Uiso 0.722(13) 1 calc R . P K 1
H24B_21 H 0.743288 0.296434 0.706984 0.273 Uiso 0.722(13) 1 calc R . P K 1
H24C_21 H 0.771803 0.327119 0.708197 0.273 Uiso 0.722(13) 1 calc R . P K 1
C25_21^a C 0.6572(8) 0.3104(4) 0.6669(8) 0.151(7) Uani 0.722(13) 1 d . U P K 1
H25A_21 H 0.636565 0.316095 0.641185 0.226 Uiso 0.722(13) 1 calc R . P K 1
H25B_21 H 0.664116 0.289501 0.665719 0.226 Uiso 0.722(13) 1 calc R . P K 1
H25C_21 H 0.638802 0.314879 0.693658 0.226 Uiso 0.722(13) 1 calc R . P K 1
O18_21^b O 0.6528(17) 0.3712(5) 0.6254(9) 0.120(6) Uani 0.278(13) 1 d . . P K 2
Si19_21^b Si 0.6662(8) 0.3541(4) 0.6715(5) 0.132(5) Uani 0.278(13) 1 d . . P K
2
C20_21^b C 0.647(2) 0.3754(13) 0.7202(13) 0.173(16) Uani 0.278(13) 1 d . . P K
2
H20D_21 H 0.655851 0.364566 0.747010 0.259 Uiso 0.278(13) 1 calc R . P K 2
H20E_21 H 0.665402 0.394028 0.720636 0.259 Uiso 0.278(13) 1 calc R . P K 2
H20F_21 H 0.610523 0.379017 0.718737 0.259 Uiso 0.278(13) 1 calc R . P K 2
C21_21^b C 0.6311(18) 0.3185(8) 0.6732(19) 0.162(15) Uani 0.278(13) 1 d . . P K
2
H21D_21 H 0.639364 0.308512 0.700763 0.243 Uiso 0.278(13) 1 calc R . P K 2
H21E_21 H 0.594394 0.322163 0.671153 0.243 Uiso 0.278(13) 1 calc R . P K 2
H21F_21 H 0.641213 0.306417 0.648422 0.243 Uiso 0.278(13) 1 calc R . P K 2
C22_21^b C 0.7366(9) 0.3474(8) 0.6708(10) 0.133(7) Uani 0.278(13) 1 d . . P K 2
C23_21^b C 0.7647(16) 0.3764(10) 0.667(2) 0.136(13) Uani 0.278(13) 1 d . . P K
2
H23D_21 H 0.756115 0.388880 0.691658 0.204 Uiso 0.278(13) 1 calc R . P K 2
H23E_21 H 0.801483 0.372856 0.667277 0.204 Uiso 0.278(13) 1 calc R . P K 2
H23F_21 H 0.754535 0.385857 0.639347 0.204 Uiso 0.278(13) 1 calc R . P K 2
C24_21^b C 0.7551(18) 0.3326(14) 0.7135(15) 0.151(14) Uani 0.278(13) 1 d . . P
K 2
H24D_21 H 0.737675 0.313931 0.716742 0.227 Uiso 0.278(13) 1 calc R . P K 2
H24E_21 H 0.791908 0.329283 0.712372 0.227 Uiso 0.278(13) 1 calc R . P K 2
H24F_21 H 0.747669 0.345070 0.738543 0.227 Uiso 0.278(13) 1 calc R . P K 2
C25_21^b C 0.7497(18) 0.3275(13) 0.6324(17) 0.126(13) Uani 0.278(13) 1 d . . P
K 2
H25D_21 H 0.731514 0.309006 0.635193 0.189 Uiso 0.278(13) 1 calc R . P K 2
H25E_21 H 0.739440 0.336839 0.604691 0.189 Uiso 0.278(13) 1 calc R . P K 2
H25F_21 H 0.786388 0.323837 0.632622 0.189 Uiso 0.278(13) 1 calc R . P K 2
O26_21^a O 0.5199(5) 0.3923(4) 0.5903(6) 0.109(4) Uani 0.610(13) 1 d . U P J 1
Si27_21^a Si 0.4652(3) 0.3767(2) 0.6012(4) 0.130(3) Uani 0.610(13) 1 d . U P J
1
C28_21^a C 0.4184(10) 0.3813(8) 0.5549(8) 0.170(10) Uani 0.610(13) 1 d . U P J
1
H28A_21 H 0.386357 0.371820 0.562255 0.255 Uiso 0.610(13) 1 calc R . P J 1
H28B_21 H 0.412446 0.401985 0.549677 0.255 Uiso 0.610(13) 1 calc R . P J 1
H28C_21 H 0.431917 0.372376 0.528341 0.255 Uiso 0.610(13) 1 calc R . P J 1
C29_21^a C 0.4729(15) 0.3375(3) 0.6133(12) 0.150(9) Uani 0.610(13) 1 d . U P J
1
H29A_21 H 0.439714 0.328972 0.619609 0.224 Uiso 0.610(13) 1 calc R . P J 1
H29B_21 H 0.487326 0.327659 0.587891 0.224 Uiso 0.610(13) 1 calc R . P J 1
H29C_21 H 0.495844 0.334995 0.638841 0.224 Uiso 0.610(13) 1 calc R . P J 1
C30_21^a C 0.4424(7) 0.3965(4) 0.6511(6) 0.143(6) Uani 0.610(13) 1 d . U P J 1
C31_21^a C 0.4445(10) 0.4292(4) 0.6458(9) 0.141(8) Uani 0.610(13) 1 d . U P J 1
H31A_21 H 0.479059 0.435079 0.638420 0.211 Uiso 0.610(13) 1 calc R . P J 1
H31B_21 H 0.420759 0.435212 0.622215 0.211 Uiso 0.610(13) 1 calc R . P J 1
H31C_21 H 0.434895 0.438554 0.673301 0.211 Uiso 0.610(13) 1 calc R . P J 1
C32_21^a C 0.4791(11) 0.3887(7) 0.6896(7) 0.162(8) Uani 0.610(13) 1 d . U P J 1
H32A_21 H 0.478949 0.367665 0.694137 0.243 Uiso 0.610(13) 1 calc R . P J 1
H32B_21 H 0.513585 0.395067 0.682629 0.243 Uiso 0.610(13) 1 calc R . P J 1
H32C_21 H 0.468139 0.398483 0.716282 0.243 Uiso 0.610(13) 1 calc R . P J 1
C33_21^a C 0.3887(9) 0.3865(7) 0.6627(12) 0.183(11) Uani 0.610(13) 1 d . U P J
1
H33A_21 H 0.388331 0.365383 0.665907 0.275 Uiso 0.610(13) 1 calc R . P J 1
H33B_21 H 0.378845 0.395609 0.690264 0.275 Uiso 0.610(13) 1 calc R . P J 1
H33C_21 H 0.364709 0.392267 0.639178 0.275 Uiso 0.610(13) 1 calc R . P J 1
O26_21^b O 0.5235(8) 0.3903(5) 0.5969(8) 0.109(5) Uani 0.390(13) 1 d . . P J 2
Si27_21^b Si 0.4818(5) 0.3740(3) 0.6283(5) 0.126(4) Uani 0.390(13) 1 d . . P J
2
C28_21^b C 0.4807(19) 0.3348(4) 0.6133(14) 0.140(12) Uani 0.390(13) 1 d . . P J
2
H28D_21 H 0.456268 0.324523 0.631467 0.210 Uiso 0.390(13) 1 calc R . P J 2
H28E_21 H 0.470658 0.332708 0.582260 0.210 Uiso 0.390(13) 1 calc R . P J 2
H28F_21 H 0.514671 0.326424 0.618108 0.210 Uiso 0.390(13) 1 calc R . P J 2
C29_21^b C 0.4170(8) 0.3894(9) 0.6142(14) 0.163(10) Uani 0.390(13) 1 d . . P J
2
H29D_21 H 0.391473 0.380046 0.632387 0.245 Uiso 0.390(13) 1 calc R . P J 2
H29E_21 H 0.417076 0.410327 0.619699 0.245 Uiso 0.390(13) 1 calc R . P J 2
H29F_21 H 0.408858 0.385731 0.583154 0.245 Uiso 0.390(13) 1 calc R . P J 2
C30_21^b C 0.4957(11) 0.3796(7) 0.6876(6) 0.155(8) Uani 0.390(13) 1 d . . P J 2
C31_21^b C 0.5356(16) 0.3587(11) 0.7065(14) 0.200(17) Uani 0.390(13) 1 d . . P
J 2
H31D_21 H 0.525671 0.338681 0.699504 0.301 Uiso 0.390(13) 1 calc R . P J 2
H31E_21 H 0.568649 0.362881 0.693694 0.301 Uiso 0.390(13) 1 calc R . P J 2
H31F_21 H 0.538114 0.361064 0.738430 0.301 Uiso 0.390(13) 1 calc R . P J 2
C32_21^b C 0.512(2) 0.4107(8) 0.6990(14) 0.189(15) Uani 0.390(13) 1 d . . P J 2
H32D_21 H 0.486815 0.424363 0.687121 0.284 Uiso 0.390(13) 1 calc R . P J 2
H32E_21 H 0.514665 0.412826 0.730962 0.284 Uiso 0.390(13) 1 calc R . P J 2
H32F_21 H 0.545199 0.414643 0.686225 0.284 Uiso 0.390(13) 1 calc R . P J 2
C33_21^b C 0.4449(14) 0.3740(11) 0.7114(11) 0.174(13) Uani 0.390(13) 1 d . . P
J 2
H33D_21 H 0.418649 0.387211 0.699792 0.261 Uiso 0.390(13) 1 calc R . P J 2
H33E_21 H 0.434103 0.353877 0.706441 0.261 Uiso 0.390(13) 1 calc R . P J 2
H33F_21 H 0.449849 0.377372 0.742950 0.261 Uiso 0.390(13) 1 calc R . P J 2
O1_22 O 0.7009(3) 0.26336(13) 0.32805(19) 0.0691(15) Uani 1 1 d . . . . .
N2_22 N 0.7693(4) 0.18775(18) 0.2529(3) 0.081(2) Uani 1 1 d . . . . .
H2A_22 H 0.759933 0.197036 0.228780 0.097 Uiso 1 1 calc R . . . .
H2B_22 H 0.784728 0.170861 0.251120 0.097 Uiso 1 1 calc R . . . .
N3_22 N 0.7347(3) 0.22784(14) 0.3720(2) 0.0650(17) Uani 1 1 d . . . . .
C4_22 C 0.7238(4) 0.24017(19) 0.3317(3) 0.069(2) Uani 1 1 d . . . . .
N5_22 N 0.7363(3) 0.22516(15) 0.2943(2) 0.0682(18) Uani 1 1 d . . . . .
H5_22 H 0.727798 0.233461 0.269202 0.082 Uiso 1 1 calc R . . . .
C6_22 C 0.7601(4) 0.19916(19) 0.2917(3) 0.074(2) Uani 1 1 d . . . . .
C7_22 C 0.7719(4) 0.18677(19) 0.3331(3) 0.072(2) Uani 1 1 d . . . . .
N8_22 N 0.7959(4) 0.16082(18) 0.3435(3) 0.082(2) Uani 1 1 d . . . . .
C9_22 C 0.7960(5) 0.1609(2) 0.3872(3) 0.082(3) Uani 1 1 d . . . . .
H9_22 H 0.809215 0.145440 0.404682 0.098 Uiso 1 1 calc R . . . .
N10_22 N 0.7753(3) 0.18562(15) 0.4045(2) 0.073(2) Uani 1 1 d . . . . .
C11_22 C 0.7584(4) 0.20204(17) 0.3691(3) 0.065(2) Uani 1 1 d . . . . .
C12_22 C 0.7693(3) 0.19198(17) 0.4514(2) 0.0685(19) Uani 1 1 d . U . . .
H12_22 H 0.766600 0.213454 0.455510 0.082 Uiso 1 1 calc R . . . .
O13_22 O 0.8132(2) 0.18163(13) 0.4744(2) 0.0735(15) Uani 1 1 d . U . . .
C14_22 C 0.7987(3) 0.16023(19) 0.5065(3) 0.081(2) Uani 1 1 d . U . . .
H14_22 H 0.793896 0.169980 0.535428 0.097 Uiso 1 1 calc R . . . .
C15_22 C 0.7472(3) 0.14912(18) 0.4889(3) 0.075(2) Uani 1 1 d . U . . .
H15_22 H 0.752106 0.135019 0.464397 0.090 Uiso 1 1 calc R . . . .
C16_22 C 0.7233(3) 0.17739(19) 0.4714(3) 0.078(2) Uani 1 1 d . U . . .
H16A_22 H 0.696329 0.173504 0.448956 0.094 Uiso 1 1 calc R . . . .
H16B_22 H 0.709141 0.189203 0.495290 0.094 Uiso 1 1 calc R . . . .
C17_22 C 0.8404(4) 0.1380(2) 0.5111(3) 0.092(3) Uani 1 1 d . U . . .
H17A_22 H 0.872513 0.147695 0.519984 0.111 Uiso 1 1 calc R . . . .
H17B_22 H 0.831663 0.123924 0.534332 0.111 Uiso 1 1 calc R . . . .
O18_22 O 0.8474(3) 0.12274(15) 0.4707(2) 0.0907(18) Uani 1 1 d . U . . .
Si19_22 Si 0.88912(14) 0.09619(7) 0.46705(14) 0.1036(10) Uani 1 1 d . U . . .
C20_22 C 0.9533(4) 0.1115(3) 0.4799(7) 0.138(5) Uani 1 1 d . U . . .
H20A_22 H 0.978871 0.096153 0.477936 0.207 Uiso 1 1 calc R . . . .
H20B_22 H 0.960838 0.126928 0.458857 0.207 Uiso 1 1 calc R . . . .
H20C_22 H 0.953853 0.119566 0.509671 0.207 Uiso 1 1 calc R . . . .
C21_22 C 0.8730(6) 0.0672(3) 0.5078(5) 0.122(4) Uani 1 1 d . U . . .
H21A_22 H 0.897644 0.051299 0.505858 0.183 Uiso 1 1 calc R . . . .
H21B_22 H 0.874328 0.075376 0.537459 0.183 Uiso 1 1 calc R . . . .
H21C_22 H 0.838766 0.059797 0.501261 0.183 Uiso 1 1 calc R . . . .
C22_22 C 0.8838(4) 0.0829(2) 0.4090(3) 0.118(3) Uani 1 1 d . U . . .
C23_22 C 0.9038(6) 0.1059(3) 0.3780(6) 0.138(6) Uani 1 1 d . U . . .
H23A_22 H 0.883751 0.123725 0.380928 0.207 Uiso 1 1 calc R . . . .
H23B_22 H 0.939522 0.109983 0.385262 0.207 Uiso 1 1 calc R . . . .
H23C_22 H 0.900782 0.098858 0.347676 0.207 Uiso 1 1 calc R . . . .
C24_22 C 0.9149(7) 0.0548(3) 0.4047(7) 0.154(7) Uani 1 1 d . U . . .
H24A_22 H 0.901837 0.040077 0.424829 0.231 Uiso 1 1 calc R . . . .
H24B_22 H 0.911953 0.047588 0.374518 0.231 Uiso 1 1 calc R . . . .
H24C_22 H 0.950693 0.058712 0.412104 0.231 Uiso 1 1 calc R . . . .
C25_22 C 0.8285(5) 0.0748(3) 0.3969(5) 0.123(4) Uani 1 1 d . U . . .
H25A_22 H 0.816509 0.059976 0.417291 0.185 Uiso 1 1 calc R . . . .
H25B_22 H 0.807025 0.092098 0.398877 0.185 Uiso 1 1 calc R . . . .
H25C_22 H 0.826850 0.067186 0.366919 0.185 Uiso 1 1 calc R . . . .
O26_22 O 0.7201(3) 0.13594(14) 0.5233(2) 0.0899(18) Uani 1 1 d . U . . .
Si27_22^a Si 0.6812(4) 0.1083(2) 0.5207(4) 0.085(3) Uani 0.528(16) 1 d . U P L
1
C28_22^a C 0.6160(7) 0.1229(7) 0.5092(11) 0.121(8) Uani 0.528(16) 1 d . U P L 1
H28A_22 H 0.591711 0.106780 0.507457 0.181 Uiso 0.528(16) 1 calc R . P L 1
H28B_22 H 0.606529 0.136097 0.532833 0.181 Uiso 0.528(16) 1 calc R . P L 1
H28C_22 H 0.615643 0.133406 0.481265 0.181 Uiso 0.528(16) 1 calc R . P L 1
C29_22^a C 0.6989(12) 0.0828(5) 0.4760(8) 0.097(7) Uani 0.528(16) 1 d . U P L 1
H29A_22 H 0.675020 0.066474 0.475131 0.146 Uiso 0.528(16) 1 calc R . P L 1
H29B_22 H 0.697355 0.093050 0.447788 0.146 Uiso 0.528(16) 1 calc R . P L 1
H29C_22 H 0.733442 0.075576 0.481498 0.146 Uiso 0.528(16) 1 calc R . P L 1
C30_22^a C 0.6828(8) 0.0893(4) 0.5751(5) 0.122(6) Uani 0.528(16) 1 d . U P L 1
C31_22^a C 0.6611(12) 0.1091(5) 0.6099(8) 0.176(12) Uani 0.528(16) 1 d . U P L
1
H31A_22 H 0.681654 0.126836 0.612167 0.264 Uiso 0.528(16) 1 calc R . P L 1
H31B_22 H 0.625961 0.114262 0.601748 0.264 Uiso 0.528(16) 1 calc R . P L 1
H31C_22 H 0.661646 0.099109 0.638276 0.264 Uiso 0.528(16) 1 calc R . P L 1
C32_22^a C 0.7375(8) 0.0794(8) 0.5865(11) 0.161(11) Uani 0.528(16) 1 d . U P L
1
H32A_22 H 0.749758 0.066689 0.563261 0.242 Uiso 0.528(16) 1 calc R . P L 1
H32B_22 H 0.759654 0.096392 0.589296 0.242 Uiso 0.528(16) 1 calc R . P L 1
H32C_22 H 0.737729 0.068738 0.614396 0.242 Uiso 0.528(16) 1 calc R . P L 1
C33_22^a C 0.6499(11) 0.0617(5) 0.5721(9) 0.130(9) Uani 0.528(16) 1 d . U P L 1
H33A_22 H 0.663424 0.048659 0.549810 0.195 Uiso 0.528(16) 1 calc R . P L 1
H33B_22 H 0.650509 0.051823 0.600638 0.195 Uiso 0.528(16) 1 calc R . P L 1
H33C_22 H 0.614824 0.066976 0.564111 0.195 Uiso 0.528(16) 1 calc R . P L 1
Si27_22^b Si 0.6963(5) 0.1029(2) 0.5205(5) 0.105(4) Uani 0.472(16) 1 d . . P L
2
C28_22^b C 0.7248(13) 0.0812(6) 0.5665(10) 0.141(10) Uani 0.472(16) 1 d . . P L
2
H28D_22 H 0.711151 0.061374 0.565403 0.211 Uiso 0.472(16) 1 calc R . P L 2
H28E_22 H 0.761835 0.080520 0.563646 0.211 Uiso 0.472(16) 1 calc R . P L 2
H28F_22 H 0.716401 0.090176 0.594500 0.211 Uiso 0.472(16) 1 calc R . P L 2
C29_22^b C 0.7130(13) 0.0855(6) 0.4674(8) 0.100(8) Uani 0.472(16) 1 d . . P L 2
H29D_22 H 0.698667 0.065883 0.466054 0.150 Uiso 0.472(16) 1 calc R . P L 2
H29E_22 H 0.698916 0.097089 0.443002 0.150 Uiso 0.472(16) 1 calc R . P L 2
H29F_22 H 0.750036 0.084470 0.465162 0.150 Uiso 0.472(16) 1 calc R . P L 2
C30_22^b C 0.6255(6) 0.1062(4) 0.5264(7) 0.115(6) Uani 0.472(16) 1 d . . P L 2
C31_22^b C 0.6114(12) 0.1161(6) 0.5727(7) 0.128(9) Uani 0.472(16) 1 d . . P L 2
H31D_22 H 0.627602 0.134838 0.579148 0.192 Uiso 0.472(16) 1 calc R . P L 2
H31E_22 H 0.574401 0.118158 0.574264 0.192 Uiso 0.472(16) 1 calc R . P L 2
H31F_22 H 0.623240 0.101670 0.594199 0.192 Uiso 0.472(16) 1 calc R . P L 2
C32_22^b C 0.6052(11) 0.1287(7) 0.4926(10) 0.121(9) Uani 0.472(16) 1 d . . P L
2
H32D_22 H 0.614069 0.122480 0.462973 0.182 Uiso 0.472(16) 1 calc R . P L 2
H32E_22 H 0.568172 0.130123 0.494568 0.182 Uiso 0.472(16) 1 calc R . P L 2
H32F_22 H 0.620591 0.147642 0.498852 0.182 Uiso 0.472(16) 1 calc R . P L 2
C33_22^b C 0.5995(10) 0.0768(5) 0.5172(11) 0.129(10) Uani 0.472(16) 1 d . . P L
2
H33D_22 H 0.608066 0.070087 0.487720 0.194 Uiso 0.472(16) 1 calc R . P L 2
H33E_22 H 0.611413 0.062515 0.538939 0.194 Uiso 0.472(16) 1 calc R . P L 2
H33F_22 H 0.562574 0.079003 0.519004 0.194 Uiso 0.472(16) 1 calc R . P L 2
O1_23 O 0.7097(3) 0.25512(14) 0.21894(19) 0.0802(18) Uani 1 1 d . . . . .
N2_23 N 0.6952(4) 0.27413(19) 0.0723(3) 0.083(2) Uani 1 1 d . . . . .
H2A_23 H 0.681251 0.290817 0.079221 0.099 Uiso 1 1 calc R . . . .
H2B_23 H 0.698945 0.269465 0.044554 0.099 Uiso 1 1 calc R . . . .
N3_23 N 0.7422(4) 0.21996(17) 0.1753(2) 0.077(2) Uani 1 1 d . . . . .
C4_23 C 0.7195(5) 0.2454(2) 0.1809(3) 0.081(3) Uani 1 1 d . . . . .
N5_23 N 0.7051(3) 0.26309(18) 0.1461(2) 0.072(2) Uani 1 1 d . . . . .
H5_23 H 0.691480 0.279990 0.152387 0.087 Uiso 1 1 calc R . . . .
C6_23 C 0.7103(4) 0.2565(2) 0.1028(3) 0.077(2) Uani 1 1 d . . . . .
C7_23 C 0.7326(5) 0.2293(2) 0.0967(3) 0.086(3) Uani 1 1 d . . . . .
N8_23 N 0.7475(6) 0.2157(2) 0.0579(3) 0.113(4) Uani 1 1 d . . . . .
C9_23 C 0.7690(8) 0.1916(4) 0.0718(4) 0.127(6) Uani 1 1 d . . . . .
H9_23 H 0.781736 0.177291 0.052595 0.153 Uiso 1 1 calc R . . . .
N10_23 N 0.7715(5) 0.1890(2) 0.1166(3) 0.100(3) Uani 1 1 d . . . . .
C11_23 C 0.7484(5) 0.2138(2) 0.1328(4) 0.090(3) Uani 1 1 d . . . . .
C12_23 C 0.7948(4) 0.1658(2) 0.1432(3) 0.105(3) Uani 1 1 d . U . . .
H12_23 H 0.806606 0.173638 0.172258 0.126 Uiso 1 1 calc R . . . .
O13_23 O 0.8369(4) 0.1542(2) 0.1201(4) 0.132(3) Uani 1 1 d . U . . .
C14_23 C 0.8267(5) 0.1249(3) 0.1078(5) 0.145(4) Uani 1 1 d . U . . .
H14_23 H 0.843773 0.111572 0.129454 0.174 Uiso 1 1 calc R . . . .
C15_23 C 0.7687(5) 0.1211(2) 0.1102(4) 0.132(4) Uani 1 1 d . U . . .
H15_23 H 0.750427 0.127704 0.082882 0.158 Uiso 0.413(13) 1 calc R . P M 1
H15A_23 H 0.752458 0.129982 0.083461 0.158 Uiso 0.587(13) 1 calc R . P M 2
C16_23 C 0.7579(5) 0.1402(2) 0.1498(4) 0.112(3) Uani 1 1 d . U . . .
H16A_23 H 0.765410 0.129946 0.177694 0.135 Uiso 1 1 calc R . . . .
H16B_23 H 0.722085 0.146886 0.149427 0.135 Uiso 1 1 calc R . . . .
C17_23 C 0.8483(9) 0.1197(4) 0.0627(5) 0.206(7) Uani 1 1 d . U . . .
H17A_23 H 0.884926 0.124756 0.063165 0.247 Uiso 1 1 calc R . . . .
H17B_23 H 0.845154 0.098848 0.055111 0.247 Uiso 1 1 calc R . . . .
O18_23 O 0.8223(9) 0.1366(4) 0.0304(3) 0.252(7) Uani 1 1 d . U . . .
Si19_23 Si 0.8251(6) 0.1342(2) -0.0238(3) 0.269(6) Uani 1 1 d . U . . .
C20_23 C 0.8377(15) 0.0967(4) -0.0422(9) 0.272(14) Uani 1 1 d . U . . .
H20A_23 H 0.839063 0.096216 -0.074279 0.408 Uiso 1 1 calc R . . . .
H20B_23 H 0.870377 0.090088 -0.029618 0.408 Uiso 1 1 calc R . . . .
H20C_23 H 0.810535 0.083843 -0.032398 0.408 Uiso 1 1 calc R . . . .
C21_23 C 0.7620(9) 0.1471(9) -0.0461(9) 0.313(14) Uani 1 1 d . U . . .
H21A_23 H 0.761757 0.146072 -0.078251 0.469 Uiso 1 1 calc R . . . .
H21B_23 H 0.734889 0.134742 -0.034891 0.469 Uiso 1 1 calc R . . . .
H21C_23 H 0.756373 0.167200 -0.036946 0.469 Uiso 1 1 calc R . . . .
C22_23 C 0.8778(9) 0.1590(4) -0.0409(6) 0.272(9) Uani 1 1 d . U . . .
C23_23 C 0.9259(10) 0.1512(9) -0.0135(9) 0.318(17) Uani 1 1 d . U . . .
H23A_23 H 0.934945 0.130912 -0.018721 0.478 Uiso 1 1 calc R . . . .
H23B_23 H 0.954025 0.163800 -0.022178 0.478 Uiso 1 1 calc R . . . .
H23C_23 H 0.919279 0.154087 0.017672 0.478 Uiso 1 1 calc R . . . .
C24_23 C 0.8881(14) 0.1541(7) -0.0898(6) 0.277(15) Uani 1 1 d . U . . .
H24A_23 H 0.897183 0.133730 -0.094557 0.415 Uiso 1 1 calc R . . . .
H24B_23 H 0.857495 0.158853 -0.107265 0.415 Uiso 1 1 calc R . . . .
H24C_23 H 0.916199 0.166592 -0.098689 0.415 Uiso 1 1 calc R . . . .
C25_23 C 0.8635(17) 0.1907(4) -0.0329(11) 0.337(18) Uani 1 1 d . U . . .
H25A_23 H 0.856995 0.193633 -0.001700 0.506 Uiso 1 1 calc R . . . .
H25B_23 H 0.891542 0.203333 -0.041687 0.506 Uiso 1 1 calc R . . . .
H25C_23 H 0.832838 0.195594 -0.050263 0.506 Uiso 1 1 calc R . . . .
O26_23^a O 0.7655(9) 0.0905(3) 0.1164(7) 0.131(5) Uani 0.413(13) 1 d . U P M 1
Si27_23^a Si 0.7328(6) 0.0711(2) 0.0793(3) 0.127(4) Uani 0.413(13) 1 d . U P M
1
C28_23^a C 0.7102(15) 0.0944(6) 0.0333(9) 0.138(11) Uani 0.413(13) 1 d . U P M
1
H28A_23 H 0.691108 0.082609 0.011899 0.207 Uiso 0.413(13) 1 calc R . P M 1
H28B_23 H 0.688121 0.109698 0.044600 0.207 Uiso 0.413(13) 1 calc R . P M 1
H28C_23 H 0.739473 0.103280 0.019140 0.207 Uiso 0.413(13) 1 calc R . P M 1
C29_23^a C 0.7726(13) 0.0410(6) 0.0591(12) 0.140(10) Uani 0.413(13) 1 d . U P M
1
H29A_23 H 0.753073 0.029679 0.037236 0.210 Uiso 0.413(13) 1 calc R . P M 1
H29B_23 H 0.803057 0.048888 0.045580 0.210 Uiso 0.413(13) 1 calc R . P M 1
H29C_23 H 0.782583 0.028367 0.083681 0.210 Uiso 0.413(13) 1 calc R . P M 1
C30_23^a C 0.6779(8) 0.0576(6) 0.1122(7) 0.141(6) Uani 0.413(13) 1 d . U P M 1
C31_23^a C 0.6508(16) 0.0832(9) 0.1341(15) 0.154(13) Uani 0.413(13) 1 d . U P M
1
H31A_23 H 0.675055 0.093694 0.153155 0.232 Uiso 0.413(13) 1 calc R . P M 1
H31B_23 H 0.637369 0.096414 0.111406 0.232 Uiso 0.413(13) 1 calc R . P M 1
H31C_23 H 0.622784 0.075904 0.151582 0.232 Uiso 0.413(13) 1 calc R . P M 1
C32_23^a C 0.6974(16) 0.0373(9) 0.1491(11) 0.146(11) Uani 0.413(13) 1 d . U P M
1
H32A_23 H 0.721872 0.047726 0.167986 0.219 Uiso 0.413(13) 1 calc R . P M 1
H32B_23 H 0.668715 0.030809 0.166563 0.219 Uiso 0.413(13) 1 calc R . P M 1
H32C_23 H 0.714042 0.020396 0.136143 0.219 Uiso 0.413(13) 1 calc R . P M 1
C33_23^a C 0.6396(14) 0.0415(10) 0.0825(12) 0.169(14) Uani 0.413(13) 1 d . U P
M 1
H33A_23 H 0.656541 0.025103 0.068411 0.253 Uiso 0.413(13) 1 calc R . P M 1
H33B_23 H 0.611575 0.034237 0.100113 0.253 Uiso 0.413(13) 1 calc R . P M 1
H33C_23 H 0.626160 0.054747 0.059937 0.253 Uiso 0.413(13) 1 calc R . P M 1
O26_23^b O 0.7497(7) 0.0927(3) 0.1151(6) 0.138(5) Uani 0.587(13) 1 d . . P M 2
Si27_23^b Si 0.6988(4) 0.07545(16) 0.0936(3) 0.122(3) Uani 0.587(13) 1 d . . P
M 2
C28_23^b C 0.6946(13) 0.0848(6) 0.0343(5) 0.138(9) Uani 0.587(13) 1 d . . P M 2
H28D_23 H 0.665071 0.075027 0.020762 0.206 Uiso 0.587(13) 1 calc R . P M 2
H28E_23 H 0.690737 0.105857 0.030999 0.206 Uiso 0.587(13) 1 calc R . P M 2
H28F_23 H 0.725591 0.078463 0.019926 0.206 Uiso 0.587(13) 1 calc R . P M 2
C29_23^b C 0.6394(9) 0.0871(7) 0.1202(11) 0.161(10) Uani 0.587(13) 1 d . . P M
2
H29D_23 H 0.610396 0.076690 0.107030 0.241 Uiso 0.587(13) 1 calc R . P M 2
H29E_23 H 0.641717 0.082811 0.151690 0.241 Uiso 0.587(13) 1 calc R . P M 2
H29F_23 H 0.634640 0.108051 0.116005 0.241 Uiso 0.587(13) 1 calc R . P M 2
C30_23^b C 0.7133(7) 0.0361(3) 0.1025(6) 0.131(5) Uani 0.587(13) 1 d . . P M 2
C31_23^b C 0.7651(8) 0.0280(6) 0.0843(9) 0.147(9) Uani 0.587(13) 1 d . . P M 2
H31D_23 H 0.791650 0.039652 0.098819 0.220 Uiso 0.587(13) 1 calc R . P M 2
H31E_23 H 0.771791 0.007327 0.089717 0.220 Uiso 0.587(13) 1 calc R . P M 2
H31F_23 H 0.765066 0.031699 0.052632 0.220 Uiso 0.587(13) 1 calc R . P M 2
C32_23^b C 0.7111(11) 0.0287(7) 0.1519(7) 0.151(10) Uani 0.587(13) 1 d . . P M
2
H32D_23 H 0.677699 0.033982 0.163033 0.226 Uiso 0.587(13) 1 calc R . P M 2
H32E_23 H 0.716667 0.007789 0.156092 0.226 Uiso 0.587(13) 1 calc R . P M 2
H32F_23 H 0.737626 0.039498 0.168015 0.226 Uiso 0.587(13) 1 calc R . P M 2
C33_23^b C 0.6715(10) 0.0177(6) 0.0797(11) 0.166(11) Uani 0.587(13) 1 d . . P M
2
H33D_23 H 0.638351 0.022929 0.091403 0.250 Uiso 0.587(13) 1 calc R . P M 2
H33E_23 H 0.671474 0.021460 0.048061 0.250 Uiso 0.587(13) 1 calc R . P M 2
H33F_23 H 0.678198 -0.002912 0.085145 0.250 Uiso 0.587(13) 1 calc R . P M 2
O1_24 O 0.6637(3) 0.31555(15) 0.1670(2) 0.0809(17) Uani 1 1 d . . . . .
N2_24 N 0.5687(4) 0.39795(17) 0.1518(3) 0.079(2) Uani 1 1 d . . . . .
H2A_24 H 0.571176 0.399961 0.180503 0.095 Uiso 1 1 calc R . . . .
H2B_24 H 0.551435 0.410698 0.135998 0.095 Uiso 1 1 calc R . . . .
N3_24 N 0.6411(3) 0.32641(18) 0.0960(2) 0.076(2) Uani 1 1 d . . . . .
C4_24 C 0.6429(4) 0.3316(2) 0.1398(3) 0.069(2) Uani 1 1 d . . . . .
N5_24 N 0.6173(3) 0.35628(17) 0.1563(2) 0.075(2) Uani 1 1 d . . . . .
H5_24 H 0.618997 0.358976 0.184824 0.090 Uiso 1 1 calc R . . . .
C6_24 C 0.5908(4) 0.3759(2) 0.1327(3) 0.069(2) Uani 1 1 d . . . . .
C7_24 C 0.5902(4) 0.3703(2) 0.0873(3) 0.075(2) Uani 1 1 d . . . . .
N8_24 N 0.5661(4) 0.3855(2) 0.0530(3) 0.084(2) Uani 1 1 d . . . . .
C9_24 C 0.5786(6) 0.3706(3) 0.0185(4) 0.110(4) Uani 1 1 d . . . . .
H9_24 H 0.568744 0.376093 -0.010449 0.132 Uiso 1 1 calc R . . . .
N10_24 N 0.6075(4) 0.3460(2) 0.0276(2) 0.099(3) Uani 1 1 d . . . . .
C11_24 C 0.6149(4) 0.3464(3) 0.0727(3) 0.081(3) Uani 1 1 d . . . . .
C12_24 C 0.6267(5) 0.3253(3) -0.0042(3) 0.123(4) Uani 1 1 d . U . . .
H12_24 H 0.649864 0.311290 0.011383 0.148 Uiso 1 1 calc R . . . .
O13_24 O 0.6545(4) 0.3399(3) -0.0367(3) 0.154(4) Uani 1 1 d . U . . .
C14_24 C 0.6308(6) 0.3344(3) -0.0793(3) 0.159(5) Uani 1 1 d . U . . .
H14_24 H 0.648991 0.318124 -0.093808 0.190 Uiso 1 1 calc R . . . .
C15_24 C 0.5762(5) 0.3251(3) -0.0709(3) 0.130(4) Uani 1 1 d . U . . .
H15A_24 H 0.554831 0.342555 -0.065174 0.156 Uiso 0.379(15) 1 calc R . P N 2
H15_24 H 0.553049 0.342045 -0.067004 0.156 Uiso 0.621(15) 1 calc R . P N 1
C16_24 C 0.5841(6) 0.3079(3) -0.0286(3) 0.121(4) Uani 1 1 d . U . . .
H16A_24 H 0.595032 0.287795 -0.034721 0.145 Uiso 1 1 calc R . . . .
H16B_24 H 0.552594 0.307413 -0.011423 0.145 Uiso 1 1 calc R . . . .
C17_24 C 0.6380(9) 0.3617(3) -0.1056(5) 0.206(6) Uani 1 1 d . U . . .
H17A_24 H 0.674082 0.367797 -0.103774 0.247 Uiso 1 1 calc R . . O .
H17B_24 H 0.628783 0.358095 -0.136772 0.247 Uiso 1 1 calc R . . O .
O18_24 O 0.6064(7) 0.3839(2) -0.0883(4) 0.214(6) Uani 1 1 d . U . P 1
Si19_24 Si 0.6221(5) 0.41752(17) -0.0903(2) 0.257(5) Uani 1 1 d . U . P 1
C20_24 C 0.5933(12) 0.4339(5) -0.0391(6) 0.296(13) Uani 1 1 d . U . P 1
H20A_24 H 0.601218 0.454651 -0.037694 0.444 Uiso 1 1 calc R . . P 1
H20B_24 H 0.556362 0.431197 -0.040177 0.444 Uiso 1 1 calc R . . P 1
H20C_24 H 0.607636 0.424190 -0.012954 0.444 Uiso 1 1 calc R . . P 1
C21_24 C 0.6920(7) 0.4244(7) -0.0838(11) 0.328(14) Uani 1 1 d . U . P 1
H21A_24 H 0.698492 0.445333 -0.085406 0.493 Uiso 1 1 calc R . . P 1
H21B_24 H 0.704138 0.416980 -0.055361 0.493 Uiso 1 1 calc R . . P 1
H21C_24 H 0.709989 0.414544 -0.107372 0.493 Uiso 1 1 calc R . . P 1
C22_24 C 0.5950(8) 0.4334(4) -0.1419(5) 0.258(8) Uani 1 1 d . U . P 1
C23_24 C 0.5379(8) 0.4288(5) -0.1346(9) 0.310(14) Uani 1 1 d . U . P 1
H23A_24 H 0.530743 0.407993 -0.132630 0.464 Uiso 1 1 calc R . . P 1
H23B_24 H 0.528227 0.438388 -0.107359 0.464 Uiso 1 1 calc R . . P 1
H23C_24 H 0.518296 0.437149 -0.159312 0.464 Uiso 1 1 calc R . . P 1
C24_24 C 0.6097(14) 0.4652(4) -0.1455(8) 0.259(14) Uani 1 1 d . U . P 1
H24A_24 H 0.595356 0.476071 -0.121036 0.389 Uiso 1 1 calc R . . P 1
H24B_24 H 0.646861 0.467025 -0.144437 0.389 Uiso 1 1 calc R . . P 1
H24C_24 H 0.596432 0.473146 -0.173317 0.389 Uiso 1 1 calc R . . P 1
C25_24 C 0.6160(13) 0.4150(6) -0.1789(6) 0.255(13) Uani 1 1 d . U . P 1
H25A_24 H 0.605430 0.394795 -0.175113 0.383 Uiso 1 1 calc R . . P 1
H25B_24 H 0.602751 0.422283 -0.207178 0.383 Uiso 1 1 calc R . . P 1
H25C_24 H 0.653179 0.416162 -0.178298 0.383 Uiso 1 1 calc R . . P 1
O26_24^b O 0.5537(9) 0.3085(7) -0.1053(7) 0.166(6) Uani 0.379(15) 1 d . U P N 2
Si27_24^b Si 0.4913(8) 0.3023(4) -0.1128(7) 0.189(6) Uani 0.379(15) 1 d . U P N
2
C28_24^b C 0.4564(19) 0.3369(7) -0.1031(17) 0.202(13) Uani 0.379(15) 1 d . U P
N 2
H28A_24 H 0.419799 0.333641 -0.107348 0.303 Uiso 0.379(15) 1 calc R . P N 2
H28B_24 H 0.463344 0.343541 -0.073015 0.303 Uiso 0.379(15) 1 calc R . P N 2
H28C_24 H 0.467728 0.351689 -0.123822 0.303 Uiso 0.379(15) 1 calc R . P N 2
C29_24^b C 0.4674(13) 0.2760(8) -0.0724(13) 0.211(14) Uani 0.379(15) 1 d . U P
N 2
H29A_24 H 0.430906 0.272851 -0.077663 0.317 Uiso 0.379(15) 1 calc R . P N 2
H29B_24 H 0.485504 0.257518 -0.075469 0.317 Uiso 0.379(15) 1 calc R . P N 2
H29C_24 H 0.473128 0.283581 -0.042685 0.317 Uiso 0.379(15) 1 calc R . P N 2
C30_24^b C 0.4843(13) 0.2891(8) -0.1707(8) 0.197(8) Uani 0.379(15) 1 d . U P N
2
C31_24^b C 0.5358(17) 0.2797(15) -0.1887(15) 0.224(18) Uani 0.379(15) 1 d . U P
N 2
H31A_24 H 0.551022 0.264881 -0.169388 0.336 Uiso 0.379(15) 1 calc R . P N 2
H31B_24 H 0.530747 0.271576 -0.218236 0.336 Uiso 0.379(15) 1 calc R . P N 2
H31C_24 H 0.558484 0.296493 -0.190029 0.336 Uiso 0.379(15) 1 calc R . P N 2
C32_24^b C 0.448(2) 0.2625(12) -0.1731(17) 0.227(14) Uani 0.379(15) 1 d . U P N
2
H32A_24 H 0.415047 0.267851 -0.161766 0.340 Uiso 0.379(15) 1 calc R . P N 2
H32B_24 H 0.444355 0.256092 -0.203636 0.340 Uiso 0.379(15) 1 calc R . P N 2
H32C_24 H 0.462826 0.246643 -0.155338 0.340 Uiso 0.379(15) 1 calc R . P N 2
C33_24^b C 0.461(3) 0.3123(12) -0.2018(13) 0.231(15) Uani 0.379(15) 1 d . U P N
2
H33A_24 H 0.428481 0.318612 -0.190895 0.346 Uiso 0.379(15) 1 calc R . P N 2
H33B_24 H 0.484514 0.328954 -0.203066 0.346 Uiso 0.379(15) 1 calc R . P N 2
H33C_24 H 0.456777 0.304037 -0.231272 0.346 Uiso 0.379(15) 1 calc R . P N 2
O26_24^a O 0.5603(7) 0.3071(4) -0.1072(5) 0.164(5) Uani 0.621(15) 1 d . . P N 1
Si27_24^a Si 0.5054(5) 0.3137(3) -0.1345(3) 0.173(4) Uani 0.621(15) 1 d . . P N
1
C28_24^a C 0.5212(15) 0.3252(10) -0.1910(7) 0.238(14) Uani 0.621(15) 1 d . . P
N 1
H28D_24 H 0.489789 0.329248 -0.207798 0.356 Uiso 0.621(15) 1 calc R . P N 1
H28E_24 H 0.542174 0.342819 -0.189645 0.356 Uiso 0.621(15) 1 calc R . P N 1
H28F_24 H 0.540094 0.309714 -0.205484 0.356 Uiso 0.621(15) 1 calc R . P N 1
C29_24^a C 0.4727(14) 0.3442(7) -0.1059(13) 0.231(14) Uani 0.621(15) 1 d . . P
N 1
H29D_24 H 0.440481 0.348512 -0.121261 0.346 Uiso 0.621(15) 1 calc R . P N 1
H29E_24 H 0.466113 0.338515 -0.075609 0.346 Uiso 0.621(15) 1 calc R . P N 1
H29F_24 H 0.494523 0.361425 -0.105987 0.346 Uiso 0.621(15) 1 calc R . P N 1
C30_24^a C 0.4668(9) 0.2800(4) -0.1347(8) 0.198(7) Uani 0.621(15) 1 d . . P N 1
C31_24^a C 0.4982(14) 0.2537(5) -0.1480(14) 0.210(11) Uani 0.621(15) 1 d . . P
N 1
H31D_24 H 0.511964 0.256964 -0.177230 0.315 Uiso 0.621(15) 1 calc R . P N 1
H31E_24 H 0.526327 0.250904 -0.126766 0.315 Uiso 0.621(15) 1 calc R . P N 1
H31F_24 H 0.476623 0.236378 -0.148612 0.315 Uiso 0.621(15) 1 calc R . P N 1
C32_24^a C 0.4458(17) 0.2742(9) -0.0888(10) 0.241(13) Uani 0.621(15) 1 d . . P
N 1
H32D_24 H 0.425484 0.290889 -0.079660 0.362 Uiso 0.621(15) 1 calc R . P N 1
H32E_24 H 0.424474 0.256799 -0.089720 0.362 Uiso 0.621(15) 1 calc R . P N 1
H32F_24 H 0.474179 0.271325 -0.067873 0.362 Uiso 0.621(15) 1 calc R . P N 1
C33_24^a C 0.4211(12) 0.2845(8) -0.1669(13) 0.217(12) Uani 0.621(15) 1 d . . P
N 1
H33D_24 H 0.401415 0.301428 -0.157716 0.326 Uiso 0.621(15) 1 calc R . P N 1
H33E_24 H 0.433533 0.287652 -0.196526 0.326 Uiso 0.621(15) 1 calc R . P N 1
H33F_24 H 0.399303 0.267219 -0.166683 0.326 Uiso 0.621(15) 1 calc R . P N 1
O1_25 O 0.6217(3) 0.36151(14) 0.2464(2) 0.0803(18) Uani 1 1 d . . . . .
N2_25 N 0.5845(3) 0.39365(16) 0.3835(2) 0.0667(17) Uani 1 1 d . . . . .
H2A_25 H 0.600487 0.378210 0.393797 0.080 Uiso 1 1 calc R . . . .
H2B_25 H 0.570709 0.406033 0.401715 0.080 Uiso 1 1 calc R . . . .
N3_25 N 0.5774(4) 0.40488(17) 0.2481(3) 0.079(2) Uani 1 1 d . . . . .
C4_25 C 0.6013(4) 0.3819(2) 0.2671(3) 0.072(2) Uani 1 1 d . . . . .
N5_25 N 0.6027(3) 0.37919(15) 0.3127(2) 0.0652(17) Uani 1 1 d . . . . .
H5_25 H 0.618555 0.364015 0.323986 0.078 Uiso 1 1 calc R . . . .
C6_25 C 0.5814(4) 0.39821(18) 0.3412(3) 0.065(2) Uani 1 1 d . . . . .
C7_25 C 0.5579(4) 0.42217(19) 0.3212(3) 0.072(2) Uani 1 1 d . . . . .
N8_25 N 0.5346(4) 0.44613(18) 0.3396(3) 0.085(2) Uani 1 1 d . . . . .
C9_25 C 0.5204(5) 0.4614(3) 0.3051(4) 0.098(4) Uani 1 1 d . . . . .
H9_25 H 0.502615 0.479273 0.307190 0.117 Uiso 1 1 calc R . . . .
N10_25 N 0.5332(4) 0.44936(17) 0.2657(3) 0.090(3) Uani 1 1 d . . . . .
C11_25 C 0.5582(4) 0.4236(2) 0.2760(3) 0.075(2) Uani 1 1 d . . . . .
C12_25 C 0.5230(4) 0.4614(2) 0.2221(3) 0.104(3) Uani 1 1 d . U . . .
H12_25 H 0.538733 0.448973 0.199231 0.125 Uiso 1 1 calc R . . . .
O13_25 O 0.5437(3) 0.48999(15) 0.2207(3) 0.095(2) Uani 1 1 d . U . . .
C14_25 C 0.5043(4) 0.51079(19) 0.2105(4) 0.101(3) Uani 1 1 d . U . . .
H14_25 H 0.503439 0.514676 0.178226 0.122 Uiso 1 1 calc R . . . .
C15_25 C 0.4544(3) 0.4962(2) 0.2235(5) 0.121(3) Uani 1 1 d . U . . .
H15_25 H 0.453548 0.497218 0.256208 0.146 Uiso 0.708(11) 1 calc R . P Q 1
H15A_25 H 0.441387 0.500494 0.253365 0.146 Uiso 0.292(11) 1 calc R . P Q 2
C16_25 C 0.4651(5) 0.4648(2) 0.2124(5) 0.133(4) Uani 1 1 d . U . . .
H16A_25 H 0.456781 0.460750 0.181138 0.160 Uiso 1 1 calc R . . . .
H16B_25 H 0.445163 0.451581 0.230943 0.160 Uiso 1 1 calc R . . . .
C17_25 C 0.5162(6) 0.5384(2) 0.2347(3) 0.108(3) Uani 1 1 d . U . . .
H17A_25 H 0.549917 0.545296 0.225341 0.129 Uiso 0.642(10) 1 calc R . P R 1
H17B_25 H 0.490903 0.553188 0.225218 0.129 Uiso 0.642(10) 1 calc R . P R 1
H17C_25 H 0.551335 0.544934 0.229171 0.129 Uiso 0.358(10) 1 calc R . P R 2
H17D_25 H 0.492178 0.554030 0.225923 0.129 Uiso 0.358(10) 1 calc R . P R 2
O18_25^a O 0.5168(7) 0.5373(3) 0.2810(3) 0.105(4) Uani 0.642(10) 1 d . U P R 1
Si19_25^a Si 0.5506(3) 0.55624(16) 0.3169(2) 0.133(3) Uani 0.642(10) 1 d . U P
R 1
C20_25^a C 0.5736(11) 0.5288(5) 0.3601(7) 0.111(7) Uani 0.642(10) 1 d . U P R 1
H20A_25 H 0.594135 0.538767 0.382687 0.166 Uiso 0.642(10) 1 calc R . P R 1
H20B_25 H 0.544190 0.519643 0.373667 0.166 Uiso 0.642(10) 1 calc R . P R 1
H20C_25 H 0.594251 0.513867 0.346085 0.166 Uiso 0.642(10) 1 calc R . P R 1
C21_25^a C 0.6085(6) 0.5708(4) 0.2909(6) 0.112(5) Uani 0.642(10) 1 d . U P R 1
H21A_25 H 0.628407 0.582065 0.312470 0.168 Uiso 0.642(10) 1 calc R . P R 1
H21B_25 H 0.629137 0.554706 0.280145 0.168 Uiso 0.642(10) 1 calc R . P R 1
H21C_25 H 0.598531 0.583401 0.266197 0.168 Uiso 0.642(10) 1 calc R . P R 1
C22_25^a C 0.5128(7) 0.5850(3) 0.3433(5) 0.136(5) Uani 0.642(10) 1 d . U P R 1
C23_25^a C 0.4719(10) 0.5716(6) 0.3718(9) 0.163(9) Uani 0.642(10) 1 d . U P R 1
H23A_25 H 0.488025 0.560782 0.395959 0.245 Uiso 0.642(10) 1 calc R . P R 1
H23B_25 H 0.450608 0.587085 0.383649 0.245 Uiso 0.642(10) 1 calc R . P R 1
H23C_25 H 0.450673 0.558449 0.353935 0.245 Uiso 0.642(10) 1 calc R . P R 1
C24_25^a C 0.5476(11) 0.6041(6) 0.3720(9) 0.172(10) Uani 0.642(10) 1 d . U P R
1
H24A_25 H 0.561455 0.592577 0.396558 0.258 Uiso 0.642(10) 1 calc R . P R 1
H24B_25 H 0.575489 0.611516 0.354520 0.258 Uiso 0.642(10) 1 calc R . P R 1
H24C_25 H 0.527941 0.620386 0.383501 0.258 Uiso 0.642(10) 1 calc R . P R 1
C25_25^a C 0.4906(12) 0.6022(5) 0.3048(8) 0.147(8) Uani 0.642(10) 1 d . U P R 1
H25A_25 H 0.518246 0.610296 0.287604 0.221 Uiso 0.642(10) 1 calc R . P R 1
H25B_25 H 0.469619 0.589409 0.286185 0.221 Uiso 0.642(10) 1 calc R . P R 1
H25C_25 H 0.469555 0.618045 0.315898 0.221 Uiso 0.642(10) 1 calc R . P R 1
O18_25^b O 0.5104(12) 0.5307(5) 0.2796(4) 0.110(5) Uani 0.358(10) 1 d . . P R 2
Si19_25^b Si 0.4880(6) 0.5493(3) 0.3210(4) 0.140(4) Uani 0.358(10) 1 d . . P R
2
C20_25^b C 0.4593(16) 0.5841(6) 0.3020(13) 0.141(12) Uani 0.358(10) 1 d . . P R
2
H20D_25 H 0.446245 0.594692 0.327297 0.211 Uiso 0.358(10) 1 calc R . P R 2
H20E_25 H 0.485162 0.595831 0.287728 0.211 Uiso 0.358(10) 1 calc R . P R 2
H20F_25 H 0.431285 0.580092 0.281153 0.211 Uiso 0.358(10) 1 calc R . P R 2
C21_25^b C 0.4412(13) 0.5263(8) 0.3499(14) 0.170(15) Uani 0.358(10) 1 d . . P R
2
H21D_25 H 0.427513 0.537178 0.374630 0.254 Uiso 0.358(10) 1 calc R . P R 2
H21E_25 H 0.413348 0.521053 0.329492 0.254 Uiso 0.358(10) 1 calc R . P R 2
H21F_25 H 0.457987 0.508675 0.360750 0.254 Uiso 0.358(10) 1 calc R . P R 2
C22_25^b C 0.5469(8) 0.5559(5) 0.3561(7) 0.123(6) Uani 0.358(10) 1 d . . P R 2
C23_25^b C 0.5846(12) 0.5706(8) 0.3248(12) 0.134(10) Uani 0.358(10) 1 d . . P R
2
H23D_25 H 0.591218 0.557595 0.300131 0.202 Uiso 0.358(10) 1 calc R . P R 2
H23E_25 H 0.569876 0.588790 0.313658 0.202 Uiso 0.358(10) 1 calc R . P R 2
H23F_25 H 0.616581 0.574747 0.340692 0.202 Uiso 0.358(10) 1 calc R . P R 2
C24_25^b C 0.5376(15) 0.5768(7) 0.3940(10) 0.131(10) Uani 0.358(10) 1 d . . P R
2
H24D_25 H 0.523491 0.594989 0.382408 0.196 Uiso 0.358(10) 1 calc R . P R 2
H24E_25 H 0.513452 0.568018 0.414142 0.196 Uiso 0.358(10) 1 calc R . P R 2
H24F_25 H 0.569760 0.580682 0.409684 0.196 Uiso 0.358(10) 1 calc R . P R 2
C25_25^b C 0.5690(14) 0.5274(6) 0.3743(12) 0.093(9) Uani 0.358(10) 1 d . . P R
2
H25D_25 H 0.575009 0.513979 0.350061 0.140 Uiso 0.358(10) 1 calc R . P R 2
H25E_25 H 0.601158 0.531327 0.390063 0.140 Uiso 0.358(10) 1 calc R . P R 2
H25F_25 H 0.544850 0.518663 0.394521 0.140 Uiso 0.358(10) 1 calc R . P R 2
O26_25^a O 0.4093(3) 0.5101(3) 0.2080(5) 0.116(4) Uani 0.708(11) 1 d . U P Q 1
Si27_25^a Si 0.3509(2) 0.51275(16) 0.2273(3) 0.134(3) Uani 0.708(11) 1 d . U P
Q 1
C28_25^a C 0.3052(9) 0.5064(7) 0.1799(8) 0.181(9) Uani 0.708(11) 1 d . U P Q 1
H28A_25 H 0.270267 0.507835 0.190147 0.272 Uiso 0.708(11) 1 calc R . P Q 1
H28B_25 H 0.310718 0.521134 0.157248 0.272 Uiso 0.708(11) 1 calc R . P Q 1
H28C_25 H 0.310926 0.487085 0.167643 0.272 Uiso 0.708(11) 1 calc R . P Q 1
C29_25^a C 0.3380(12) 0.4836(6) 0.2677(10) 0.189(11) Uani 0.708(11) 1 d . U P Q
1
H29A_25 H 0.303332 0.485769 0.278432 0.284 Uiso 0.708(11) 1 calc R . P Q 1
H29B_25 H 0.341455 0.464627 0.253604 0.284 Uiso 0.708(11) 1 calc R . P Q 1
H29C_25 H 0.362333 0.485085 0.292424 0.284 Uiso 0.708(11) 1 calc R . P Q 1
C30_25^a C 0.3394(6) 0.5495(3) 0.2503(7) 0.158(6) Uani 0.708(11) 1 d . U P Q 1
C31_25^a C 0.3606(12) 0.5733(5) 0.2209(13) 0.220(13) Uani 0.708(11) 1 d . U P Q
1
H31A_25 H 0.396928 0.569954 0.216685 0.330 Uiso 0.708(11) 1 calc R . P Q 1
H31B_25 H 0.342611 0.572964 0.192386 0.330 Uiso 0.708(11) 1 calc R . P Q 1
H31C_25 H 0.355763 0.592280 0.234773 0.330 Uiso 0.708(11) 1 calc R . P Q 1
C32_25^a C 0.3661(13) 0.5521(8) 0.2960(9) 0.220(13) Uani 0.708(11) 1 d . U P Q
1
H32A_25 H 0.353105 0.537014 0.315511 0.329 Uiso 0.708(11) 1 calc R . P Q 1
H32B_25 H 0.402866 0.549579 0.292959 0.329 Uiso 0.708(11) 1 calc R . P Q 1
H32C_25 H 0.359270 0.571250 0.308521 0.329 Uiso 0.708(11) 1 calc R . P Q 1
C33_25^a C 0.2822(7) 0.5547(6) 0.2571(12) 0.175(10) Uani 0.708(11) 1 d . U P Q
1
H33A_25 H 0.268781 0.539361 0.275991 0.262 Uiso 0.708(11) 1 calc R . P Q 1
H33B_25 H 0.277239 0.573594 0.271051 0.262 Uiso 0.708(11) 1 calc R . P Q 1
H33C_25 H 0.264087 0.554279 0.228664 0.262 Uiso 0.708(11) 1 calc R . P Q 1
O26_25^b O 0.4220(6) 0.5047(6) 0.1855(8) 0.128(6) Uani 0.292(11) 1 d . . P Q 2
Si27_25^b Si 0.3608(5) 0.4973(4) 0.1852(6) 0.141(5) Uani 0.292(11) 1 d . . P Q
2
C28_25^b C 0.3464(11) 0.4582(5) 0.1807(18) 0.161(15) Uani 0.292(11) 1 d . . P Q
2
H28D_25 H 0.309468 0.455356 0.180634 0.241 Uiso 0.292(11) 1 calc R . P Q 2
H28E_25 H 0.360051 0.450647 0.153301 0.241 Uiso 0.292(11) 1 calc R . P Q 2
H28F_25 H 0.362014 0.447925 0.205647 0.241 Uiso 0.292(11) 1 calc R . P Q 2
C29_25^b C 0.3313(15) 0.5166(11) 0.1366(12) 0.176(15) Uani 0.292(11) 1 d . . P
Q 2
H29D_25 H 0.294675 0.512698 0.135290 0.263 Uiso 0.292(11) 1 calc R . P Q 2
H29E_25 H 0.337040 0.537533 0.139573 0.263 Uiso 0.292(11) 1 calc R . P Q 2
H29F_25 H 0.346847 0.509626 0.109670 0.263 Uiso 0.292(11) 1 calc R . P Q 2
C30_25^b C 0.3377(11) 0.5146(8) 0.2370(9) 0.156(7) Uani 0.292(11) 1 d . . P Q 2
C31_25^b C 0.3503(14) 0.4983(12) 0.2795(11) 0.173(15) Uani 0.292(11) 1 d . . P
Q 2
H31D_25 H 0.387041 0.494990 0.281830 0.260 Uiso 0.292(11) 1 calc R . P Q 2
H31E_25 H 0.339431 0.509902 0.304605 0.260 Uiso 0.292(11) 1 calc R . P Q 2
H31F_25 H 0.332466 0.479639 0.279411 0.260 Uiso 0.292(11) 1 calc R . P Q 2
C32_25^b C 0.3649(14) 0.5444(7) 0.2402(17) 0.179(12) Uani 0.292(11) 1 d . . P Q
2
H32D_25 H 0.357704 0.555604 0.213402 0.269 Uiso 0.292(11) 1 calc R . P Q 2
H32E_25 H 0.352511 0.555136 0.265602 0.269 Uiso 0.292(11) 1 calc R . P Q 2
H32F_25 H 0.401657 0.541413 0.243560 0.269 Uiso 0.292(11) 1 calc R . P Q 2
C33_25^b C 0.2800(11) 0.5198(13) 0.2336(17) 0.186(13) Uani 0.292(11) 1 d . . P
Q 2
H33D_25 H 0.271804 0.530194 0.206317 0.279 Uiso 0.292(11) 1 calc R . P Q 2
H33E_25 H 0.262274 0.501053 0.233496 0.279 Uiso 0.292(11) 1 calc R . P Q 2
H33F_25 H 0.269240 0.531316 0.258690 0.279 Uiso 0.292(11) 1 calc R . P Q 2
O1_26 O 0.5207(3) 0.32071(17) 0.1941(2) 0.0873(19) Uani 1 1 d . . . . .
N2_26 N 0.5381(4) 0.2746(2) 0.0627(3) 0.089(2) Uani 1 1 d . . . . .
H2A_26 H 0.556582 0.261514 0.076800 0.107 Uiso 1 1 calc R . . . .
H2B_26 H 0.532165 0.272747 0.034275 0.107 Uiso 1 1 calc R . . . .
N3_26 N 0.4798(3) 0.34283(18) 0.1370(3) 0.0751(19) Uani 1 1 d . . . . .
C4_26 C 0.5095(4) 0.3218(2) 0.1547(3) 0.077(3) Uani 1 1 d . . . . .
N5_26 N 0.5283(3) 0.29962(18) 0.1281(3) 0.077(2) Uani 1 1 d . . . . .
H5_26 H 0.547639 0.286339 0.140761 0.092 Uiso 1 1 calc R . . . .
C6_26 C 0.5190(4) 0.2970(2) 0.0842(3) 0.079(3) Uani 1 1 d . . . . .
C7_26 C 0.4897(4) 0.3196(2) 0.0661(3) 0.081(3) Uani 1 1 d . . . . .
N8_26 N 0.4736(5) 0.3243(2) 0.0229(3) 0.101(3) Uani 1 1 d . . . . .
C9_26 C 0.4452(5) 0.3476(3) 0.0260(4) 0.098(3) Uani 1 1 d . . . . .
H9_26 H 0.427490 0.355931 0.001532 0.118 Uiso 1 1 calc R . . . .
N10_26 N 0.4433(3) 0.35891(17) 0.0679(3) 0.081(2) Uani 1 1 d . . . . .
C11_26 C 0.4728(4) 0.3400(2) 0.0935(3) 0.080(3) Uani 1 1 d . . . . .
C12_26 C 0.4106(4) 0.3818(2) 0.0847(3) 0.090(3) Uani 1 1 d . U . . .
H12_26 H 0.431177 0.395209 0.103778 0.109 Uiso 1 1 calc R . . . .
O13_26 O 0.3716(3) 0.3686(2) 0.1098(3) 0.112(2) Uani 1 1 d . U . . .
C14_26 C 0.3277(5) 0.3631(2) 0.0815(4) 0.115(3) Uani 1 1 d . U . . .
H14_26 H 0.296389 0.370063 0.096287 0.138 Uiso 1 1 calc R . . . .
C15_26 C 0.3350(4) 0.3806(2) 0.0395(4) 0.110(3) Uani 1 1 d . U . . .
H15_26 H 0.341743 0.367083 0.014518 0.132 Uiso 1 1 calc R . . . .
C16_26 C 0.3821(4) 0.3992(2) 0.0490(4) 0.095(3) Uani 1 1 d . U . . .
H16A_26 H 0.372505 0.418667 0.059885 0.114 Uiso 1 1 calc R . . . .
H16B_26 H 0.402870 0.401439 0.022570 0.114 Uiso 1 1 calc R . . . .
C17_26 C 0.3231(7) 0.3309(2) 0.0730(5) 0.136(4) Uani 1 1 d . U . . .
H17A_26 H 0.297585 0.327598 0.049175 0.163 Uiso 1 1 calc R . . . .
H17B_26 H 0.356160 0.323414 0.063072 0.163 Uiso 1 1 calc R . . . .
O18_26 O 0.3089(5) 0.3156(2) 0.1098(5) 0.156(4) Uani 1 1 d . U . . .
Si19_26 Si 0.3348(2) 0.28647(13) 0.1300(2) 0.1547(19) Uani 1 1 d . U . . .
C20_26 C 0.3873(6) 0.2724(4) 0.0958(7) 0.152(6) Uani 1 1 d . U . . .
H20A_26 H 0.401682 0.254892 0.109322 0.228 Uiso 1 1 calc R . . . .
H20B_26 H 0.373919 0.267809 0.066340 0.228 Uiso 1 1 calc R . . . .
H20C_26 H 0.413872 0.287257 0.093658 0.228 Uiso 1 1 calc R . . . .
C21_26 C 0.3657(10) 0.2980(7) 0.1844(6) 0.235(11) Uani 1 1 d . U . . .
H21A_26 H 0.382236 0.281203 0.198348 0.352 Uiso 1 1 calc R . . . .
H21B_26 H 0.391189 0.313060 0.179076 0.352 Uiso 1 1 calc R . . . .
H21C_26 H 0.339671 0.305691 0.203712 0.352 Uiso 1 1 calc R . . . .
C22_26 C 0.2855(6) 0.2591(3) 0.1409(7) 0.188(7) Uani 1 1 d . U . . .
C23_26 C 0.2635(10) 0.2495(6) 0.0968(8) 0.227(11) Uani 1 1 d . U . . .
H23A_26 H 0.290537 0.240977 0.079249 0.341 Uiso 1 1 calc R . . . .
H23B_26 H 0.236921 0.234924 0.101306 0.341 Uiso 1 1 calc R . . . .
H23C_26 H 0.248890 0.266237 0.081294 0.341 Uiso 1 1 calc R . . . .
C24_26 C 0.2439(9) 0.2725(6) 0.1691(9) 0.228(12) Uani 1 1 d . U . . .
H24A_26 H 0.258743 0.278563 0.197429 0.342 Uiso 1 1 calc R . . . .
H24B_26 H 0.229198 0.289367 0.153961 0.342 Uiso 1 1 calc R . . . .
H24C_26 H 0.217228 0.258054 0.173973 0.342 Uiso 1 1 calc R . . . .
C25_26 C 0.3099(11) 0.2340(5) 0.1674(10) 0.256(15) Uani 1 1 d . U . . .
H25A_26 H 0.323398 0.241460 0.195467 0.384 Uiso 1 1 calc R . . . .
H25B_26 H 0.284234 0.219121 0.172912 0.384 Uiso 1 1 calc R . . . .
H25C_26 H 0.337659 0.225532 0.150742 0.384 Uiso 1 1 calc R . . . .
O26_26 O 0.2915(3) 0.3979(2) 0.0293(3) 0.124(3) Uani 1 1 d . U . . .
Si27_26 Si 0.2736(3) 0.40611(15) -0.0220(3) 0.181(3) Uani 1 1 d . U . . .
C28_26 C 0.3294(8) 0.4234(7) -0.0487(10) 0.244(12) Uani 1 1 d . U . . .
H28A_26 H 0.320153 0.428516 -0.079026 0.366 Uiso 1 1 calc R . . . .
H28B_26 H 0.339190 0.440960 -0.032476 0.366 Uiso 1 1 calc R . . . .
H28C_26 H 0.357946 0.409742 -0.048490 0.366 Uiso 1 1 calc R . . . .
C29_26 C 0.2583(10) 0.3718(4) -0.0527(8) 0.207(10) Uani 1 1 d . U . . .
H29A_26 H 0.247756 0.376539 -0.082928 0.310 Uiso 1 1 calc R . . . .
H29B_26 H 0.288463 0.359328 -0.053043 0.310 Uiso 1 1 calc R . . . .
H29C_26 H 0.230600 0.361584 -0.038249 0.310 Uiso 1 1 calc R . . . .
C30_26 C 0.2183(6) 0.4308(4) -0.0212(7) 0.210(7) Uani 1 1 d . U . . .
C31_26 C 0.2313(13) 0.4588(5) 0.0043(11) 0.255(13) Uani 1 1 d . U . . .
H31A_26 H 0.260616 0.468244 -0.008977 0.383 Uiso 1 1 calc R . . . .
H31B_26 H 0.202070 0.471913 0.003117 0.383 Uiso 1 1 calc R . . . .
H31C_26 H 0.239669 0.453905 0.034887 0.383 Uiso 1 1 calc R . . . .
C32_26 C 0.1725(9) 0.4153(7) -0.0015(13) 0.276(15) Uani 1 1 d . U . . .
H32A_26 H 0.165033 0.397596 -0.018309 0.414 Uiso 1 1 calc R . . . .
H32B_26 H 0.180459 0.410139 0.029103 0.414 Uiso 1 1 calc R . . . .
H32C_26 H 0.142859 0.428147 -0.002667 0.414 Uiso 1 1 calc R . . . .
C33_26 C 0.2047(13) 0.4393(8) -0.0690(8) 0.275(14) Uani 1 1 d . U . . .
H33A_26 H 0.233705 0.449307 -0.081986 0.412 Uiso 1 1 calc R . . . .
H33B_26 H 0.196703 0.421816 -0.086056 0.412 Uiso 1 1 calc R . . . .
H33C_26 H 0.175170 0.452295 -0.069469 0.412 Uiso 1 1 calc R . . . .
O1_27 O 0.5173(3) 0.32571(15) 0.3059(2) 0.0828(18) Uani 1 1 d . . . . .
N2_27 N 0.4406(5) 0.3830(3) 0.2004(4) 0.118(4) Uani 1 1 d . . . . .
H2A_27 H 0.424019 0.398707 0.191932 0.142 Uiso 1 1 calc R . . . .
H2B_27 H 0.452370 0.370913 0.180760 0.142 Uiso 1 1 calc R . . . .
N3_27 N 0.4716(3) 0.36309(18) 0.3324(3) 0.077(2) Uani 1 1 d . . . . .
C4_27 C 0.4900(4) 0.3479(2) 0.2994(3) 0.073(2) Uani 1 1 d . . . . .
N5_27 N 0.4793(3) 0.35537(19) 0.2567(3) 0.078(2) Uani 1 1 d . . . . .
H5_27 H 0.493634 0.345113 0.236002 0.094 Uiso 1 1 calc R . . . .
C6_27 C 0.4482(6) 0.3775(3) 0.2441(4) 0.100(4) Uani 1 1 d . . . . .
C7_27 C 0.4323(6) 0.3942(3) 0.2774(4) 0.106(4) Uani 1 1 d . . . . .
N8_27 N 0.4013(9) 0.4199(4) 0.2783(4) 0.191(10) Uani 1 1 d . . . . .
C9_27 C 0.3956(10) 0.4242(4) 0.3192(5) 0.169(10) Uani 1 1 d . . . . .
H9_27 H 0.375308 0.439611 0.329786 0.203 Uiso 1 1 calc R . . . .
N10_27 N 0.4205(4) 0.4052(2) 0.3472(3) 0.095(3) Uani 1 1 d . . . . .
C11_27 C 0.4436(4) 0.3861(2) 0.3190(3) 0.080(3) Uani 1 1 d . . . . .
C12_27 C 0.4225(5) 0.4045(2) 0.3945(3) 0.100(3) Uani 1 1 d . U . . .
H12_27 H 0.458667 0.401717 0.404449 0.120 Uiso 1 1 calc R . . . .
O13_27 O 0.3934(4) 0.38135(18) 0.4104(3) 0.118(3) Uani 1 1 d . U . . .
C14_27^a C 0.3570(9) 0.3934(3) 0.4401(9) 0.126(6) Uani 0.429(10) 1 d . U P S 1
H14_27 H 0.372971 0.395051 0.470031 0.151 Uiso 0.429(10) 1 calc R . P S 1
C14_27^b C 0.3440(5) 0.3917(3) 0.4224(7) 0.139(5) Uani 0.571(10) 1 d . . P S 2
H14A_27 H 0.338574 0.385681 0.453463 0.167 Uiso 0.571(10) 1 calc R . P S 2
C15_27 C 0.3465(5) 0.4242(2) 0.4215(4) 0.121(3) Uani 1 1 d . U . . .
H15_27 H 0.325597 0.424341 0.393720 0.145 Uiso 0.429(10) 1 calc R . P S 1
H15A_27 H 0.327926 0.430369 0.394085 0.145 Uiso 0.571(10) 1 calc R . P S 2
C16_27 C 0.4019(4) 0.4325(2) 0.4153(4) 0.110(3) Uani 1 1 d . U . . .
H16A_27 H 0.419402 0.436848 0.443681 0.132 Uiso 1 1 calc R . . . .
H16B_27 H 0.405189 0.449366 0.395426 0.132 Uiso 1 1 calc R . . . .
C17_27^a C 0.3106(9) 0.3743(6) 0.4421(13) 0.160(7) Uani 0.429(10) 1 d . U P S 1
H17A_27 H 0.283297 0.384742 0.457337 0.192 Uiso 0.429(10) 1 calc R . P S 1
H17B_27 H 0.298256 0.369856 0.411915 0.192 Uiso 0.429(10) 1 calc R . P S 1
O18_27^a O 0.3218(11) 0.3480(6) 0.4646(12) 0.211(10) Uani 0.429(10) 1 d . U P S
1
Si19_27^a Si 0.2848(8) 0.3327(4) 0.5006(8) 0.247(10) Uani 0.429(10) 1 d . U P S
1
C20_27^a C 0.2694(19) 0.2945(5) 0.4857(11) 0.26(2) Uani 0.429(10) 1 d . U P S 1
H20A_27 H 0.247370 0.286099 0.507824 0.394 Uiso 0.429(10) 1 calc R . P S 1
H20B_27 H 0.251920 0.294022 0.456950 0.394 Uiso 0.429(10) 1 calc R . P S 1
H20C_27 H 0.300945 0.283179 0.484347 0.394 Uiso 0.429(10) 1 calc R . P S 1
C21_27^a C 0.316(2) 0.3330(12) 0.5562(11) 0.29(2) Uani 0.429(10) 1 d . U P S 1
H21A_27 H 0.293782 0.323776 0.577365 0.429 Uiso 0.429(10) 1 calc R . P S 1
H21B_27 H 0.348338 0.322181 0.555276 0.429 Uiso 0.429(10) 1 calc R . P S 1
H21C_27 H 0.323103 0.353029 0.565213 0.429 Uiso 0.429(10) 1 calc R . P S 1
C22_27^a C 0.2250(11) 0.3553(7) 0.5000(16) 0.275(15) Uani 0.429(10) 1 d . U P S
1
C23_27^a C 0.207(2) 0.3595(19) 0.4525(19) 0.30(2) Uani 0.429(10) 1 d . U P S 1
H23A_27 H 0.199523 0.340518 0.439109 0.453 Uiso 0.429(10) 1 calc R . P S 1
H23B_27 H 0.175462 0.371196 0.451893 0.453 Uiso 0.429(10) 1 calc R . P S 1
H23C_27 H 0.232926 0.369444 0.435914 0.453 Uiso 0.429(10) 1 calc R . P S 1
C24_27^a C 0.1835(17) 0.3394(12) 0.525(3) 0.32(3) Uani 0.429(10) 1 d . U P S 1
H24A_27 H 0.175871 0.320829 0.510900 0.484 Uiso 0.429(10) 1 calc R . P S 1
H24B_27 H 0.195486 0.335890 0.555458 0.484 Uiso 0.429(10) 1 calc R . P S 1
H24C_27 H 0.152722 0.351371 0.525506 0.484 Uiso 0.429(10) 1 calc R . P S 1
C25_27^a C 0.237(2) 0.3842(7) 0.523(3) 0.30(3) Uani 0.429(10) 1 d . U P S 1
H25A_27 H 0.248362 0.380579 0.552815 0.454 Uiso 0.429(10) 1 calc R . P S 1
H25B_27 H 0.263314 0.394350 0.506667 0.454 Uiso 0.429(10) 1 calc R . P S 1
H25C_27 H 0.205850 0.396102 0.522646 0.454 Uiso 0.429(10) 1 calc R . P S 1
C17_27^b C 0.3015(8) 0.3783(6) 0.3945(7) 0.161(6) Uani 0.571(10) 1 d . . P S 2
H17C_27 H 0.305902 0.356975 0.393894 0.193 Uiso 0.571(10) 1 calc R . P S 2
H17D_27 H 0.268487 0.382547 0.408031 0.193 Uiso 0.571(10) 1 calc R . P S 2
O18_27^b O 0.3006(8) 0.3889(6) 0.3510(6) 0.184(7) Uani 0.571(10) 1 d . . P S 2
Si19_27^b Si 0.2567(5) 0.3884(3) 0.3115(5) 0.199(5) Uani 0.571(10) 1 d . . P S
2
C20_27^b C 0.1933(9) 0.3790(10) 0.3319(15) 0.253(18) Uani 0.571(10) 1 d . . P S
2
H20D_27 H 0.168501 0.379000 0.307435 0.379 Uiso 0.571(10) 1 calc R . P S 2
H20E_27 H 0.194485 0.359713 0.345409 0.379 Uiso 0.571(10) 1 calc R . P S 2
H20F_27 H 0.183111 0.393355 0.353833 0.379 Uiso 0.571(10) 1 calc R . P S 2
C21_27^b C 0.2542(18) 0.4253(6) 0.2865(15) 0.267(19) Uani 0.571(10) 1 d . . P S
2
H21D_27 H 0.228360 0.425591 0.262883 0.401 Uiso 0.571(10) 1 calc R . P S 2
H21E_27 H 0.245487 0.439540 0.308968 0.401 Uiso 0.571(10) 1 calc R . P S 2
H21F_27 H 0.287468 0.430034 0.274593 0.401 Uiso 0.571(10) 1 calc R . P S 2
C22_27^b C 0.2833(11) 0.3599(6) 0.2744(9) 0.243(11) Uani 0.571(10) 1 d . . P S
2
C23_27^b C 0.3241(12) 0.3437(7) 0.3026(12) 0.226(16) Uani 0.571(10) 1 d . . P S
2
H23D_27 H 0.350552 0.357441 0.312223 0.338 Uiso 0.571(10) 1 calc R . P S 2
H23E_27 H 0.308167 0.335164 0.328307 0.338 Uiso 0.571(10) 1 calc R . P S 2
H23F_27 H 0.339438 0.328302 0.285086 0.338 Uiso 0.571(10) 1 calc R . P S 2
C24_27^b C 0.2432(15) 0.3376(9) 0.2602(17) 0.25(2) Uani 0.571(10) 1 d . . P S 2
H24D_27 H 0.227617 0.329300 0.286282 0.373 Uiso 0.571(10) 1 calc R . P S 2
H24E_27 H 0.216951 0.347146 0.241986 0.373 Uiso 0.571(10) 1 calc R . P S 2
H24F_27 H 0.259232 0.322162 0.243353 0.373 Uiso 0.571(10) 1 calc R . P S 2
C25_27^b C 0.308(2) 0.3731(11) 0.2341(12) 0.29(2) Uani 0.571(10) 1 d . . P S 2
H25D_27 H 0.333649 0.387318 0.243486 0.430 Uiso 0.571(10) 1 calc R . P S 2
H25E_27 H 0.324172 0.357696 0.217131 0.430 Uiso 0.571(10) 1 calc R . P S 2
H25F_27 H 0.281892 0.382680 0.215763 0.430 Uiso 0.571(10) 1 calc R . P S 2
O26_27 O 0.3246(4) 0.4402(3) 0.4560(3) 0.150(4) Uani 1 1 d . U . . .
Si27_27 Si 0.2768(2) 0.46324(12) 0.4482(2) 0.1471(18) Uani 1 1 d . U . . .
C28_27 C 0.3006(9) 0.4919(4) 0.4101(7) 0.186(8) Uani 1 1 d . U . . .
H28A_27 H 0.273636 0.506143 0.404363 0.279 Uiso 1 1 calc R . . . .
H28B_27 H 0.330146 0.501584 0.423702 0.279 Uiso 1 1 calc R . . . .
H28C_27 H 0.310458 0.482877 0.382475 0.279 Uiso 1 1 calc R . . . .
C29_27 C 0.2203(7) 0.4447(6) 0.4248(9) 0.213(11) Uani 1 1 d . U . . .
H29A_27 H 0.192691 0.458830 0.420507 0.320 Uiso 1 1 calc R . . . .
H29B_27 H 0.228647 0.436059 0.396510 0.320 Uiso 1 1 calc R . . . .
H29C_27 H 0.209403 0.429484 0.444939 0.320 Uiso 1 1 calc R . . . .
C30_27 C 0.2664(5) 0.4788(3) 0.5036(4) 0.153(5) Uani 1 1 d . U . . .
C31_27 C 0.3151(7) 0.4924(5) 0.5226(8) 0.186(9) Uani 1 1 d . U . . .
H31A_27 H 0.326143 0.508135 0.503462 0.280 Uiso 1 1 calc R . . . .
H31B_27 H 0.308720 0.500075 0.551926 0.280 Uiso 1 1 calc R . . . .
H31C_27 H 0.341806 0.477536 0.524619 0.280 Uiso 1 1 calc R . . . .
C32_27 C 0.2516(9) 0.4544(4) 0.5353(6) 0.174(7) Uani 1 1 d . U . . .
H32A_27 H 0.220358 0.445039 0.524462 0.261 Uiso 1 1 calc R . . . .
H32B_27 H 0.279094 0.440088 0.537149 0.261 Uiso 1 1 calc R . . . .
H32C_27 H 0.246009 0.462627 0.564456 0.261 Uiso 1 1 calc R . . . .
C33_27 C 0.2240(7) 0.5019(5) 0.5031(9) 0.204(10) Uani 1 1 d . U . . .
H33A_27 H 0.192543 0.493429 0.490962 0.305 Uiso 1 1 calc R . . . .
H33B_27 H 0.218323 0.508614 0.533114 0.305 Uiso 1 1 calc R . . . .
H33C_27 H 0.234146 0.518375 0.484924 0.305 Uiso 1 1 calc R . . . .
O1_28 O 0.5709(3) 0.26448(14) 0.3506(2) 0.0776(16) Uani 1 1 d . . . . .
N2_28 N 0.4822(3) 0.33683(19) 0.4172(3) 0.082(2) Uani 1 1 d . . . . .
H2A_28 H 0.479781 0.345201 0.391254 0.098 Uiso 1 1 calc R . . . .
H2B_28 H 0.467959 0.344905 0.439972 0.098 Uiso 1 1 calc R . . . .
N3_28 N 0.5668(3) 0.26033(16) 0.4248(3) 0.0719(19) Uani 1 1 d . . . . .
C4_28 C 0.5564(4) 0.2738(2) 0.3874(3) 0.071(2) Uani 1 1 d . . . . .
N5_28 N 0.5293(3) 0.29998(16) 0.3856(3) 0.0694(18) Uani 1 1 d . . . . .
H5_28 H 0.526304 0.308985 0.360262 0.083 Uiso 1 1 calc R . . . .
C6_28 C 0.5072(4) 0.3123(2) 0.4218(3) 0.070(2) Uani 1 1 d . . . . .
C7_28 C 0.5157(4) 0.2973(2) 0.4611(3) 0.074(2) Uani 1 1 d . . . . .
N8_28 N 0.5010(4) 0.30332(18) 0.5035(3) 0.082(2) Uani 1 1 d . . . . .
C9_28 C 0.5225(5) 0.2833(2) 0.5271(4) 0.088(3) Uani 1 1 d . . . . .
H9_28 H 0.519407 0.282202 0.558019 0.106 Uiso 1 1 calc R . . . .
N10_28 N 0.5506(3) 0.26353(15) 0.5028(2) 0.0723(19) Uani 1 1 d . . . . .
C11_28 C 0.5450(4) 0.2730(2) 0.4599(3) 0.072(2) Uani 1 1 d . . . . .
C12_28 C 0.5848(4) 0.24083(17) 0.5180(3) 0.083(2) Uani 1 1 d . U . . .
H12_28 H 0.618825 0.243811 0.504695 0.100 Uiso 1 1 calc R . . . .
O13_28 O 0.5662(3) 0.21307(14) 0.5060(2) 0.0899(18) Uani 1 1 d . U . . .
C14_28 C 0.5517(5) 0.1976(2) 0.5449(3) 0.106(3) Uani 1 1 d . U . . .
H14_28 H 0.580141 0.184138 0.553057 0.128 Uiso 1 1 calc R . . . .
C15_28 C 0.5478(5) 0.2199(2) 0.5816(3) 0.106(3) Uani 1 1 d . U . . .
H15_28 H 0.514447 0.230242 0.578915 0.127 Uiso 1 1 calc R . . . .
C16_28 C 0.5911(5) 0.2405(3) 0.5684(3) 0.099(3) Uani 1 1 d . U . . .
H16A_28 H 0.624741 0.232736 0.577761 0.118 Uiso 1 1 calc R . . . .
H16B_28 H 0.586581 0.260070 0.581030 0.118 Uiso 1 1 calc R . . . .
C17_28 C 0.5055(4) 0.1795(3) 0.5357(6) 0.127(4) Uani 1 1 d . U . . .
H17A_28 H 0.510050 0.167941 0.508611 0.152 Uiso 1 1 calc R . . . .
H17B_28 H 0.499824 0.165921 0.560294 0.152 Uiso 1 1 calc R . . . .
O18_28 O 0.4638(3) 0.1985(2) 0.5304(4) 0.144(4) Uani 1 1 d . U . . .
Si19_28 Si 0.4141(2) 0.19185(13) 0.4991(2) 0.160(2) Uani 1 1 d . U . . .
C20_28 C 0.4027(8) 0.1520(3) 0.4973(8) 0.176(8) Uani 1 1 d . U . . .
H20A_28 H 0.372807 0.147914 0.478445 0.265 Uiso 1 1 calc R . . . .
H20B_28 H 0.432472 0.142227 0.485402 0.265 Uiso 1 1 calc R . . . .
H20C_28 H 0.396670 0.144835 0.526977 0.265 Uiso 1 1 calc R . . . .
C21_28 C 0.3591(6) 0.2093(6) 0.5275(8) 0.212(10) Uani 1 1 d . U . . .
H21A_28 H 0.327753 0.206095 0.510127 0.319 Uiso 1 1 calc R . . . .
H21B_28 H 0.355580 0.200719 0.556644 0.319 Uiso 1 1 calc R . . . .
H21C_28 H 0.365270 0.230206 0.530373 0.319 Uiso 1 1 calc R . . . .
C22_28 C 0.4214(6) 0.2066(3) 0.4429(4) 0.179(5) Uani 1 1 d . U . . .
C23_28 C 0.4720(6) 0.1971(5) 0.4237(8) 0.200(10) Uani 1 1 d . U . . .
H23A_28 H 0.473746 0.175906 0.423034 0.301 Uiso 1 1 calc R . . . .
H23B_28 H 0.474578 0.204733 0.393769 0.301 Uiso 1 1 calc R . . . .
H23C_28 H 0.500125 0.204755 0.441914 0.301 Uiso 1 1 calc R . . . .
C24_28 C 0.3770(8) 0.1953(6) 0.4134(8) 0.228(12) Uani 1 1 d . U . . .
H24A_28 H 0.344605 0.201321 0.425708 0.341 Uiso 1 1 calc R . . . .
H24B_28 H 0.380005 0.203271 0.383793 0.341 Uiso 1 1 calc R . . . .
H24C_28 H 0.378412 0.174030 0.412067 0.341 Uiso 1 1 calc R . . . .
C25_28 C 0.4181(9) 0.2398(3) 0.4441(9) 0.205(11) Uani 1 1 d . U . . .
H25A_28 H 0.385515 0.245580 0.456440 0.308 Uiso 1 1 calc R . . . .
H25B_28 H 0.446035 0.247477 0.462393 0.308 Uiso 1 1 calc R . . . .
H25C_28 H 0.420488 0.247455 0.414248 0.308 Uiso 1 1 calc R . . . .
O26_28 O 0.5542(4) 0.2087(2) 0.6243(3) 0.139(3) Uani 1 1 d . U . . .
Si27_28 Si 0.5263(2) 0.22185(16) 0.67040(19) 0.160(2) Uani 1 1 d . U . . .
C28_28 C 0.5177(9) 0.2613(3) 0.6640(6) 0.174(7) Uani 1 1 d . U . . .
H28A_28 H 0.501765 0.269253 0.690120 0.261 Uiso 1 1 calc R . . . .
H28B_28 H 0.550948 0.270563 0.660214 0.261 Uiso 1 1 calc R . . . .
H28C_28 H 0.495976 0.265231 0.638103 0.261 Uiso 1 1 calc R . . . .
C29_28 C 0.5686(10) 0.2136(7) 0.7180(6) 0.261(14) Uani 1 1 d . U . . .
H29A_28 H 0.553300 0.220953 0.744860 0.391 Uiso 1 1 calc R . . . .
H29B_28 H 0.573213 0.192541 0.720405 0.391 Uiso 1 1 calc R . . . .
H29C_28 H 0.601659 0.222909 0.714061 0.391 Uiso 1 1 calc R . . . .
C30_28 C 0.4623(6) 0.2044(5) 0.6759(6) 0.206(7) Uani 1 1 d . U . . .
C31_28 C 0.4258(8) 0.2159(8) 0.6402(8) 0.252(13) Uani 1 1 d . U . . .
H31A_28 H 0.423450 0.237062 0.642551 0.378 Uiso 1 1 calc R . . . .
H31B_28 H 0.438628 0.210706 0.611255 0.378 Uiso 1 1 calc R . . . .
H31C_28 H 0.392117 0.207309 0.643820 0.378 Uiso 1 1 calc R . . . .
C32_28 C 0.4663(13) 0.1713(5) 0.6725(12) 0.270(14) Uani 1 1 d . U . . .
H32A_28 H 0.489729 0.164078 0.695440 0.405 Uiso 1 1 calc R . . . .
H32B_28 H 0.432671 0.162664 0.676184 0.405 Uiso 1 1 calc R . . . .
H32C_28 H 0.479182 0.166061 0.643619 0.405 Uiso 1 1 calc R . . . .
C33_28 C 0.4400(11) 0.2124(8) 0.7207(7) 0.251(13) Uani 1 1 d . U . . .
H33A_28 H 0.437324 0.233545 0.723133 0.376 Uiso 1 1 calc R . . . .
H33B_28 H 0.406143 0.203717 0.723178 0.376 Uiso 1 1 calc R . . . .
H33C_28 H 0.462323 0.205005 0.744370 0.376 Uiso 1 1 calc R . . . .
O1_29 O 0.6056(3) 0.22159(15) 0.2661(2) 0.0833(18) Uani 1 1 d . . . . .
N2_29 N 0.6076(3) 0.20200(18) 0.4135(3) 0.077(2) Uani 1 1 d . . . . .
H2A_29 H 0.593158 0.219041 0.417190 0.093 Uiso 1 1 calc R . . . .
H2B_29 H 0.614074 0.190790 0.436347 0.093 Uiso 1 1 calc R . . . .
N3_29 N 0.6415(4) 0.17790(16) 0.2843(3) 0.079(2) Uani 1 1 d . . . . .
C4_29 C 0.6193(5) 0.2037(2) 0.2944(3) 0.081(3) Uani 1 1 d . . . . .
N5_29 N 0.6095(3) 0.21050(16) 0.3383(3) 0.0710(19) Uani 1 1 d . . . . .
H5_29 H 0.595631 0.227460 0.343771 0.085 Uiso 1 1 calc R . . . .
C6_29 C 0.6199(4) 0.1929(2) 0.3724(3) 0.076(2) Uani 1 1 d . . . . .
C7_29 C 0.6413(4) 0.1667(2) 0.3629(3) 0.080(3) Uani 1 1 d . . . . .
N8_29 N 0.6585(4) 0.14401(19) 0.3893(3) 0.096(3) Uani 1 1 d . . . . .
C9_29 C 0.6779(5) 0.1258(2) 0.3607(4) 0.098(4) Uani 1 1 d . . . . .
H9_29 H 0.693110 0.107981 0.369333 0.117 Uiso 1 1 calc R . . . .
N10_29 N 0.6746(4) 0.13425(18) 0.3181(3) 0.088(3) Uani 1 1 d . . . . .
C11_29 C 0.6504(4) 0.1612(2) 0.3196(3) 0.080(3) Uani 1 1 d . . . . .
C12_29 C 0.6932(4) 0.12027(19) 0.2785(3) 0.098(3) Uani 1 1 d . U . . .
H12_29 H 0.717671 0.133461 0.263768 0.118 Uiso 1 1 calc R . . . .
O13_29 O 0.6518(3) 0.11421(13) 0.2497(2) 0.094(2) Uani 1 1 d . U . . .
C14_29 C 0.6382(4) 0.08392(18) 0.2525(4) 0.106(3) Uani 1 1 d . U . . .
H14_29 H 0.646895 0.074275 0.224224 0.127 Uiso 1 1 calc R . . . .
C15_29 C 0.6711(5) 0.07084(18) 0.2890(4) 0.109(3) Uani 1 1 d . U . . .
H15_29 H 0.654346 0.072146 0.318035 0.130 Uiso 1 1 calc R . . . .
C16_29 C 0.7185(4) 0.0907(2) 0.2870(4) 0.105(3) Uani 1 1 d . U . . .
H16A_29 H 0.738210 0.090545 0.315085 0.126 Uiso 1 1 calc R . . . .
H16B_29 H 0.740947 0.085111 0.262813 0.126 Uiso 1 1 calc R . . . .
C17_29 C 0.5819(4) 0.0809(3) 0.2590(4) 0.123(3) Uani 1 1 d . U . . .
H17A_29 H 0.563427 0.091325 0.235091 0.147 Uiso 1 1 calc R . . . .
H17B_29 H 0.572487 0.060132 0.256961 0.147 Uiso 1 1 calc R . . . .
O18_29 O 0.5663(4) 0.0920(2) 0.2998(4) 0.138(3) Uani 1 1 d . U . . .
Si19_29 Si 0.5088(2) 0.10788(13) 0.3041(2) 0.157(2) Uani 1 1 d . U . . .
C20_29 C 0.5179(8) 0.1477(3) 0.2951(9) 0.178(8) Uani 1 1 d . U . . .
H20A_29 H 0.485108 0.157603 0.297325 0.267 Uiso 1 1 calc R . . . .
H20B_29 H 0.541739 0.155318 0.317347 0.267 Uiso 1 1 calc R . . . .
H20C_29 H 0.531532 0.150889 0.265829 0.267 Uiso 1 1 calc R . . . .
C21_29 C 0.4635(7) 0.0937(5) 0.2614(7) 0.174(8) Uani 1 1 d . U . . .
H21A_29 H 0.430416 0.103225 0.264441 0.261 Uiso 1 1 calc R . . . .
H21B_29 H 0.476665 0.097765 0.232226 0.261 Uiso 1 1 calc R . . . .
H21C_29 H 0.459523 0.072719 0.265127 0.261 Uiso 1 1 calc R . . . .
C22_29 C 0.4902(6) 0.1005(4) 0.3619(4) 0.182(6) Uani 1 1 d . U . . .
C23_29 C 0.5346(8) 0.1086(6) 0.3922(6) 0.192(9) Uani 1 1 d . U . . .
H23A_29 H 0.564183 0.096621 0.385299 0.288 Uiso 1 1 calc R . . . .
H23B_29 H 0.543068 0.129125 0.388226 0.288 Uiso 1 1 calc R . . . .
H23C_29 H 0.525264 0.105230 0.422751 0.288 Uiso 1 1 calc R . . . .
C24_29 C 0.4428(8) 0.1190(7) 0.3719(10) 0.247(13) Uani 1 1 d . U . . .
H24A_29 H 0.414705 0.113479 0.352003 0.370 Uiso 1 1 calc R . . . .
H24B_29 H 0.432945 0.115730 0.402326 0.370 Uiso 1 1 calc R . . . .
H24C_29 H 0.450748 0.139626 0.367801 0.370 Uiso 1 1 calc R . . . .
C25_29 C 0.4760(12) 0.0679(4) 0.3629(10) 0.281(15) Uani 1 1 d . U . . .
H25A_29 H 0.447274 0.064324 0.342632 0.421 Uiso 1 1 calc R . . . .
H25B_29 H 0.505287 0.056292 0.353996 0.421 Uiso 1 1 calc R . . . .
H25C_29 H 0.466619 0.062451 0.392702 0.421 Uiso 1 1 calc R . . . .
O26_29 O 0.6838(4) 0.04173(14) 0.2783(3) 0.119(3) Uani 1 1 d . U . . .
Si27_29 Si 0.6785(2) 0.01452(9) 0.31394(17) 0.1377(16) Uani 1 1 d . U . . .
C28_29 C 0.7317(8) 0.0190(6) 0.3549(7) 0.196(9) Uani 1 1 d . U . . .
H28A_29 H 0.730171 0.003370 0.376709 0.294 Uiso 1 1 calc R . . . .
H28B_29 H 0.764205 0.018049 0.339927 0.294 Uiso 1 1 calc R . . . .
H28C_29 H 0.728534 0.037774 0.369575 0.294 Uiso 1 1 calc R . . . .
C29_29 C 0.6161(7) 0.0153(6) 0.3410(8) 0.197(9) Uani 1 1 d . U . . .
H29A_29 H 0.614034 -0.000894 0.361676 0.296 Uiso 1 1 calc R . . . .
H29B_29 H 0.612400 0.033680 0.356767 0.296 Uiso 1 1 calc R . . . .
H29C_29 H 0.588771 0.013543 0.318699 0.296 Uiso 1 1 calc R . . . .
C30_29 C 0.6824(8) -0.0195(2) 0.2804(5) 0.173(6) Uani 1 1 d . U . . .
C31_29 C 0.7287(10) -0.0179(4) 0.2520(9) 0.232(11) Uani 1 1 d . U . . .
H31A_29 H 0.726053 -0.000944 0.232714 0.347 Uiso 1 1 calc R . . . .
H31B_29 H 0.759357 -0.016242 0.270727 0.347 Uiso 1 1 calc R . . . .
H31C_29 H 0.730760 -0.035564 0.234188 0.347 Uiso 1 1 calc R . . . .
C32_29 C 0.6330(10) -0.0208(6) 0.2522(10) 0.247(12) Uani 1 1 d . U . . .
H32A_29 H 0.603700 -0.021806 0.271427 0.371 Uiso 1 1 calc R . . . .
H32B_29 H 0.630405 -0.003427 0.233817 0.371 Uiso 1 1 calc R . . . .
H32C_29 H 0.633631 -0.038113 0.233512 0.371 Uiso 1 1 calc R . . . .
C33_29 C 0.6843(13) -0.0457(4) 0.3115(8) 0.227(11) Uani 1 1 d . U . . .
H33A_29 H 0.653708 -0.045916 0.329242 0.340 Uiso 1 1 calc R . . . .
H33B_29 H 0.685906 -0.063607 0.294232 0.340 Uiso 1 1 calc R . . . .
H33C_29 H 0.714503 -0.044285 0.330770 0.340 Uiso 1 1 calc R . . . .
O1_30 O 0.5813(3) 0.25650(16) 0.1703(2) 0.087(2) Uani 1 1 d . . . . .
N2_30 N 0.6337(4) 0.1636(2) 0.1928(3) 0.099(3) Uani 1 1 d . . . . .
H2A_30 H 0.631364 0.167376 0.220931 0.119 Uiso 1 1 calc R . . . .
H2B_30 H 0.642918 0.146176 0.184086 0.119 Uiso 1 1 calc R . . . .
N3_30 N 0.5946(4) 0.23135(18) 0.1077(3) 0.080(2) Uani 1 1 d . . . . .
C4_30 C 0.5946(4) 0.2337(2) 0.1520(3) 0.079(3) Uani 1 1 d . . . . .
N5_30 N 0.6090(4) 0.21077(19) 0.1786(3) 0.085(2) Uani 1 1 d . . . . .
H5_30 H 0.609029 0.213387 0.207191 0.102 Uiso 1 1 calc R . . . .
C6_30 C 0.6231(5) 0.1843(3) 0.1630(4) 0.088(3) Uani 1 1 d . . . . .
C7_30 C 0.6236(5) 0.1818(2) 0.1178(4) 0.092(3) Uani 1 1 d . . . . .
N8_30 N 0.6384(7) 0.1589(3) 0.0912(4) 0.137(5) Uani 1 1 d . . . . .
C9_30 C 0.6312(10) 0.1692(4) 0.0529(4) 0.153(8) Uani 1 1 d . . . . .
H9_30 H 0.637689 0.158221 0.027297 0.184 Uiso 1 1 calc R . . . .
N10_30 N 0.6138(5) 0.1971(2) 0.0507(3) 0.105(3) Uani 1 1 d . . . . .
C11_30 C 0.6091(5) 0.2049(3) 0.0952(4) 0.093(3) Uani 1 1 d . . . . .
C12_30 C 0.6052(5) 0.2158(3) 0.0134(3) 0.114(4) Uani 1 1 d . U . . .
H12_30 H 0.625809 0.233872 0.017274 0.137 Uiso 1 1 calc R . . . .
O13_30 O 0.5531(3) 0.22310(19) 0.0110(2) 0.108(2) Uani 1 1 d . U . . .
C14_30 C 0.5303(4) 0.2093(3) -0.0268(4) 0.125(3) Uani 1 1 d . U . . .
H14_30 H 0.526714 0.224331 -0.050360 0.150 Uiso 1 1 calc R . . . .
C15_30 C 0.5684(5) 0.1867(3) -0.0423(3) 0.126(4) Uani 1 1 d . U . . .
H15_30 H 0.564854 0.169045 -0.023408 0.152 Uiso 0.655(12) 1 calc R . P T 1
H15A_30 H 0.563978 0.167190 -0.028359 0.152 Uiso 0.345(12) 1 calc R . P T 2
C16_30 C 0.6189(5) 0.2013(3) -0.0299(4) 0.125(4) Uani 1 1 d . U . . .
H16A_30 H 0.646564 0.186953 -0.025760 0.150 Uiso 1 1 calc R . . . .
H16B_30 H 0.628779 0.215783 -0.052120 0.150 Uiso 1 1 calc R . . . .
C17_30 C 0.4778(5) 0.1989(3) -0.0163(5) 0.145(4) Uani 1 1 d . U . . .
H17A_30 H 0.458519 0.214809 -0.002571 0.174 Uiso 1 1 calc R . . . .
H17B_30 H 0.459601 0.193129 -0.043680 0.174 Uiso 1 1 calc R . . . .
O18_30 O 0.4808(5) 0.1749(2) 0.0127(4) 0.153(4) Uani 1 1 d . U . . .
Si19_30 Si 0.4440(2) 0.17018(12) 0.0548(2) 0.160(2) Uani 1 1 d . U . . .
C20_30 C 0.4694(9) 0.1915(4) 0.1031(6) 0.168(7) Uani 1 1 d . U . . .
H20A_30 H 0.447238 0.188649 0.128158 0.252 Uiso 1 1 calc R . . . .
H20B_30 H 0.503824 0.184898 0.110772 0.252 Uiso 1 1 calc R . . . .
H20C_30 H 0.470226 0.212197 0.095494 0.252 Uiso 1 1 calc R . . . .
C21_30 C 0.3777(6) 0.1818(5) 0.0427(9) 0.203(9) Uani 1 1 d . U . . .
H21A_30 H 0.356992 0.178622 0.068613 0.304 Uiso 1 1 calc R . . . .
H21B_30 H 0.377228 0.202428 0.034993 0.304 Uiso 1 1 calc R . . . .
H21C_30 H 0.363711 0.170405 0.018067 0.304 Uiso 1 1 calc R . . . .
C22_30 C 0.4464(6) 0.1303(2) 0.0666(6) 0.165(5) Uani 1 1 d . U . . .
C23_30 C 0.5027(7) 0.1209(6) 0.0680(10) 0.210(10) Uani 1 1 d . U . . .
H23A_30 H 0.517806 0.124824 0.039542 0.315 Uiso 1 1 calc R . . . .
H23B_30 H 0.521010 0.131860 0.090939 0.315 Uiso 1 1 calc R . . . .
H23C_30 H 0.504926 0.100110 0.074469 0.315 Uiso 1 1 calc R . . . .
C24_30 C 0.4211(10) 0.1246(6) 0.1103(7) 0.214(10) Uani 1 1 d . U . . .
H24A_30 H 0.438783 0.135626 0.133549 0.321 Uiso 1 1 calc R . . . .
H24B_30 H 0.385444 0.130660 0.108369 0.321 Uiso 1 1 calc R . . . .
H24C_30 H 0.422931 0.103820 0.117166 0.321 Uiso 1 1 calc R . . . .
C25_30 C 0.4188(10) 0.1130(5) 0.0304(8) 0.210(10) Uani 1 1 d . U . . .
H25A_30 H 0.434959 0.116620 0.002293 0.315 Uiso 1 1 calc R . . . .
H25B_30 H 0.420568 0.092237 0.037283 0.315 Uiso 1 1 calc R . . . .
H25C_30 H 0.383081 0.119076 0.028486 0.315 Uiso 1 1 calc R . . . .
O26_30^a O 0.5588(8) 0.1785(3) -0.0856(4) 0.130(4) Uani 0.655(12) 1 d . U P T 1
Si27_30^a Si 0.5510(3) 0.14431(13) -0.10158(17) 0.113(2) Uani 0.655(12) 1 d . U
P T 1
C28_30^a C 0.6076(9) 0.1227(6) -0.0844(10) 0.138(9) Uani 0.655(12) 1 d . U P T
1
H28A_30 H 0.603006 0.102534 -0.093835 0.206 Uiso 0.655(12) 1 calc R . P T 1
H28B_30 H 0.637932 0.130811 -0.097867 0.206 Uiso 0.655(12) 1 calc R . P T 1
H28C_30 H 0.611660 0.123401 -0.052366 0.206 Uiso 0.655(12) 1 calc R . P T 1
C29_30^a C 0.4930(7) 0.1285(5) -0.0769(7) 0.130(7) Uani 0.655(12) 1 d . U P T 1
H29A_30 H 0.488851 0.108354 -0.086620 0.195 Uiso 0.655(12) 1 calc R . P T 1
H29B_30 H 0.496467 0.129046 -0.044820 0.195 Uiso 0.655(12) 1 calc R . P T 1
H29C_30 H 0.463071 0.139815 -0.086228 0.195 Uiso 0.655(12) 1 calc R . P T 1
C30_30^a C 0.5432(8) 0.1464(4) -0.1629(4) 0.131(5) Uani 0.655(12) 1 d . U P T 1
C31_30^a C 0.5911(10) 0.1600(7) -0.1811(7) 0.162(8) Uani 0.655(12) 1 d . U P T
1
H31A_30 H 0.595971 0.179412 -0.168471 0.243 Uiso 0.655(12) 1 calc R . P T 1
H31B_30 H 0.620581 0.147845 -0.173411 0.243 Uiso 0.655(12) 1 calc R . P T 1
H31C_30 H 0.587737 0.161551 -0.213092 0.243 Uiso 0.655(12) 1 calc R . P T 1
C32_30^a C 0.4969(11) 0.1655(6) -0.1747(8) 0.142(8) Uani 0.655(12) 1 d . U P T
1
H32A_30 H 0.466174 0.156730 -0.162946 0.213 Uiso 0.655(12) 1 calc R . P T 1
H32B_30 H 0.501790 0.184897 -0.161905 0.213 Uiso 0.655(12) 1 calc R . P T 1
H32C_30 H 0.493354 0.167194 -0.206648 0.213 Uiso 0.655(12) 1 calc R . P T 1
C33_30^a C 0.5334(13) 0.1159(5) -0.1814(9) 0.145(9) Uani 0.655(12) 1 d . U P T
1
H33A_30 H 0.502316 0.108020 -0.168916 0.218 Uiso 0.655(12) 1 calc R . P T 1
H33B_30 H 0.529368 0.116998 -0.213417 0.218 Uiso 0.655(12) 1 calc R . P T 1
H33C_30 H 0.562213 0.103293 -0.173736 0.218 Uiso 0.655(12) 1 calc R . P T 1
O26_30^b O 0.5673(11) 0.1858(5) -0.0898(5) 0.125(6) Uani 0.345(12) 1 d . . P T
2
Si27_30^b Si 0.5806(5) 0.1578(2) -0.1225(3) 0.108(4) Uani 0.345(12) 1 d . . P T
2
C28_30^b C 0.6132(15) 0.1299(7) -0.0880(10) 0.105(9) Uani 0.345(12) 1 d . . P T
2
H28D_30 H 0.621584 0.113033 -0.106111 0.157 Uiso 0.345(12) 1 calc R . P T 2
H28E_30 H 0.644556 0.138055 -0.075115 0.157 Uiso 0.345(12) 1 calc R . P T 2
H28F_30 H 0.590765 0.123769 -0.064448 0.157 Uiso 0.345(12) 1 calc R . P T 2
C29_30^b C 0.6210(14) 0.1691(9) -0.1683(9) 0.138(12) Uani 0.345(12) 1 d . . P T
2
H29D_30 H 0.628107 0.152314 -0.186928 0.207 Uiso 0.345(12) 1 calc R . P T 2
H29E_30 H 0.603229 0.183999 -0.185818 0.207 Uiso 0.345(12) 1 calc R . P T 2
H29F_30 H 0.653043 0.177075 -0.156561 0.207 Uiso 0.345(12) 1 calc R . P T 2
C30_30^b C 0.5157(7) 0.1453(6) -0.1418(8) 0.124(6) Uani 0.345(12) 1 d . . P T 2
C31_30^b C 0.4868(13) 0.1362(9) -0.1005(11) 0.128(11) Uani 0.345(12) 1 d . . P
T 2
H31D_30 H 0.485047 0.152635 -0.080277 0.192 Uiso 0.345(12) 1 calc R . P T 2
H31E_30 H 0.452281 0.130045 -0.109049 0.192 Uiso 0.345(12) 1 calc R . P T 2
H31F_30 H 0.504710 0.120019 -0.086092 0.192 Uiso 0.345(12) 1 calc R . P T 2
C32_30^b C 0.4867(14) 0.1711(8) -0.1629(13) 0.123(11) Uani 0.345(12) 1 d . . P
T 2
H32D_30 H 0.485075 0.187057 -0.141809 0.184 Uiso 0.345(12) 1 calc R . P T 2
H32E_30 H 0.504532 0.177568 -0.189061 0.184 Uiso 0.345(12) 1 calc R . P T 2
H32F_30 H 0.452194 0.164922 -0.171299 0.184 Uiso 0.345(12) 1 calc R . P T 2
C33_30^b C 0.5190(16) 0.1201(9) -0.1739(14) 0.124(12) Uani 0.345(12) 1 d . . P
T 2
H33D_30 H 0.537489 0.103960 -0.159928 0.186 Uiso 0.345(12) 1 calc R . P T 2
H33E_30 H 0.484579 0.113667 -0.182357 0.186 Uiso 0.345(12) 1 calc R . P T 2
H33F_30 H 0.536918 0.126314 -0.200119 0.186 Uiso 0.345(12) 1 calc R . P T 2
B1_41 B 1.0724(4) 0.5678(3) 0.2021(4) 0.151(5) Uani 1 1 d . . . . .
C2_41 C 1.0672(6) 0.5357(4) 0.2255(9) 0.211(10) Uani 1 1 d . . . . .
C3_41 C 1.1098(7) 0.5215(6) 0.2436(15) 0.282(15) Uani 1 1 d . . . . .
H3_41 H 1.141530 0.531429 0.243444 0.338 Uiso 1 1 calc R . . . .
C4_41 C 1.1087(6) 0.4942(6) 0.2616(14) 0.322(16) Uani 1 1 d . . . . .
C5_41 C 1.0628(7) 0.4801(7) 0.2680(15) 0.266(15) Uani 1 1 d . . . . .
H5_41 H 1.060773 0.463176 0.285816 0.319 Uiso 1 1 calc R . . . .
C6_41 C 1.0208(6) 0.4917(4) 0.2475(9) 0.201(9) Uani 1 1 d . . . . .
C7_41 C 1.0227(6) 0.5191(4) 0.2276(9) 0.191(10) Uani 1 1 d . . . . .
H7_41 H 0.992295 0.526762 0.214920 0.229 Uiso 1 1 calc R . . . .
C8_41 C 1.1570(8) 0.4812(6) 0.2793(12) 0.44(2) Uani 1 1 d . . . . .
F9_41 F 1.1786(18) 0.4952(11) 0.3134(19) 0.68(3) Uani 1 1 d . . . . .
F10_41 F 1.1913(10) 0.4803(11) 0.2477(16) 0.61(3) Uani 1 1 d . . . . .
F11_41 F 1.1516(11) 0.4538(7) 0.2920(16) 0.57(3) Uani 1 1 d . . . . .
C12_41 C 0.9705(6) 0.4770(4) 0.2514(5) 0.174(7) Uani 1 1 d . . . . .
F13_41 F 0.9598(9) 0.4567(4) 0.2205(5) 0.252(8) Uani 1 1 d . . . . .
F14_41 F 0.9679(7) 0.4620(3) 0.2894(4) 0.208(6) Uani 1 1 d . . . . .
F15_41 F 0.9325(6) 0.4961(3) 0.2491(7) 0.231(7) Uani 1 1 d . . . . .
C16_41 C 1.0235(4) 0.5741(4) 0.1700(4) 0.152(6) Uani 1 1 d . . . . .
C17_41 C 1.0262(5) 0.5749(5) 0.1243(4) 0.153(6) Uani 1 1 d . . . . .
H17_41 H 1.058674 0.573147 0.111547 0.183 Uiso 1 1 calc R . . . .
C18_41 C 0.9842(5) 0.5782(5) 0.0967(4) 0.187(8) Uani 1 1 d . . . . .
C19_41 C 0.9364(6) 0.5822(7) 0.1137(5) 0.218(10) Uani 1 1 d . . . . .
H19_41 H 0.907028 0.584223 0.095281 0.262 Uiso 1 1 calc R . . . .
C20_41 C 0.9335(5) 0.5830(7) 0.1590(5) 0.226(10) Uani 1 1 d . . . . .
C21_41 C 0.9754(4) 0.5797(5) 0.1864(5) 0.182(9) Uani 1 1 d . . . . .
H21_41 H 0.971417 0.581323 0.217234 0.219 Uiso 1 1 calc R . . . .
C22_41 C 0.9885(7) 0.5797(5) 0.0482(5) 0.227(9) Uani 1 1 d . . . . .
F23_41 F 1.0336(6) 0.5727(5) 0.0334(5) 0.250(9) Uani 1 1 d . . . . .
F24_41 F 0.9550(9) 0.5618(8) 0.0281(7) 0.377(17) Uani 1 1 d . . . . .
F25_41 F 0.9768(13) 0.6063(6) 0.0342(8) 0.401(17) Uani 1 1 d . . . . .
C26_41 C 0.8822(6) 0.5863(7) 0.1790(6) 0.305(14) Uani 1 1 d . . . . .
F27_41 F 0.8835(9) 0.6024(7) 0.2155(7) 0.339(14) Uani 1 1 d . . . . .
F28_41 F 0.8634(9) 0.5604(7) 0.1909(9) 0.374(15) Uani 1 1 d . . . . .
F29_41 F 0.8493(7) 0.5978(9) 0.1500(7) 0.43(2) Uani 1 1 d . . . . .
C30_41 C 1.1262(4) 0.5702(3) 0.1764(5) 0.136(5) Uani 1 1 d . . . . .
C31_41 C 1.1613(5) 0.5924(3) 0.1836(5) 0.135(5) Uani 1 1 d . . . . .
H31_41 H 1.153430 0.607045 0.204386 0.162 Uiso 1 1 calc R . . . .
C32_41 C 1.2073(6) 0.5944(4) 0.1619(7) 0.163(7) Uani 1 1 d . . . . .
C33_41 C 1.2225(7) 0.5729(4) 0.1330(6) 0.159(7) Uani 1 1 d . . . . .
H33_41 H 1.254157 0.574042 0.118729 0.191 Uiso 1 1 calc R . . . .
C34_41 C 1.1894(6) 0.5498(4) 0.1257(6) 0.163(6) Uani 1 1 d . . . . .
C35_41 C 1.1430(6) 0.5485(4) 0.1470(6) 0.155(6) Uani 1 1 d . . . . .
H35_41 H 1.121554 0.532247 0.141504 0.186 Uiso 1 1 calc R . . . .
C36_41 C 1.2429(6) 0.6186(4) 0.1736(6) 0.191(7) Uani 1 1 d . . . . .
F37_41 F 1.2626(6) 0.6166(4) 0.2139(5) 0.217(6) Uani 1 1 d . . . . .
F38_41 F 1.2825(6) 0.6208(5) 0.1476(6) 0.264(9) Uani 1 1 d . . . . .
F39_41 F 1.2193(7) 0.6443(3) 0.1699(7) 0.250(8) Uani 1 1 d . . . . .
C40_41 C 1.2040(6) 0.5275(4) 0.0924(5) 0.183(7) Uani 1 1 d . . . . .
F41_41 F 1.2495(6) 0.5317(4) 0.0752(6) 0.233(7) Uani 1 1 d . . . . .
F42_41 F 1.2030(7) 0.5005(3) 0.1089(7) 0.242(7) Uani 1 1 d . . . . .
F43_41 F 1.1717(7) 0.5263(4) 0.0586(6) 0.241(8) Uani 1 1 d . . . . .
C44_41 C 1.0718(7) 0.5923(3) 0.2418(4) 0.168(6) Uani 1 1 d . . . . .
C45_41 C 1.0629(8) 0.6215(3) 0.2310(5) 0.173(7) Uani 1 1 d . . . . .
H45_41 H 1.055499 0.626288 0.201270 0.207 Uiso 1 1 calc R . . . .
C46_41 C 1.0642(9) 0.6435(3) 0.2615(5) 0.198(7) Uani 1 1 d . . . . .
C47_41 C 1.0779(11) 0.6375(5) 0.3049(6) 0.230(10) Uani 1 1 d . . . . .
H47_41 H 1.078314 0.652379 0.326483 0.276 Uiso 1 1 calc R . . . .
C48_41 C 1.0907(9) 0.6092(5) 0.3156(5) 0.227(10) Uani 1 1 d . . . . .
C49_41 C 1.0867(7) 0.5868(4) 0.2850(4) 0.195(8) Uani 1 1 d . . . . .
H49_41 H 1.094250 0.567420 0.293828 0.234 Uiso 1 1 calc R . . . .
C50_41 C 1.0589(9) 0.6742(4) 0.2469(7) 0.248(10) Uani 1 1 d . . . . .
F51_41 F 1.0895(12) 0.6824(5) 0.2147(7) 0.323(12) Uani 1 1 d . . . . .
F52_41 F 1.0664(11) 0.6934(5) 0.2790(8) 0.331(13) Uani 1 1 d . . . . .
F53_41 F 1.0119(10) 0.6789(6) 0.2307(13) 0.42(2) Uani 1 1 d . . . . .
C54_41 C 1.1071(7) 0.6025(5) 0.3617(5) 0.308(12) Uani 1 1 d . . . . .
F55_41 F 1.1096(11) 0.6256(7) 0.3874(7) 0.417(16) Uani 1 1 d . . . . .
F56_41 F 1.0778(9) 0.5830(8) 0.3806(6) 0.51(2) Uani 1 1 d . . . . .
F57_41 F 1.1527(7) 0.5899(5) 0.3636(6) 0.308(12) Uani 1 1 d . . . . .
B1_42 B 0.3213(4) 0.0521(2) 0.1959(3) 0.106(3) Uani 1 1 d . . . . .
C2_42 C 0.3119(5) 0.0588(2) 0.1437(3) 0.106(3) Uani 1 1 d . . . . .
C3_42 C 0.2844(5) 0.0823(2) 0.1260(3) 0.100(3) Uani 1 1 d . . . . .
H3_42 H 0.269010 0.095381 0.145843 0.120 Uiso 1 1 calc R . . . .
C4_42 C 0.2783(6) 0.0876(3) 0.0814(3) 0.117(4) Uani 1 1 d . . . . .
C5_42 C 0.2951(6) 0.0679(3) 0.0510(4) 0.114(4) Uani 1 1 d . . . . .
H5_42 H 0.287999 0.070456 0.020586 0.137 Uiso 1 1 calc R . . . .
C6_42 C 0.3223(6) 0.0444(3) 0.0662(3) 0.110(4) Uani 1 1 d . . . . .
C7_42 C 0.3290(5) 0.0400(3) 0.1106(3) 0.109(4) Uani 1 1 d . . . . .
H7_42 H 0.346692 0.023004 0.119730 0.131 Uiso 1 1 calc R . . . .
C8_42 C 0.2493(5) 0.1137(3) 0.0658(4) 0.134(4) Uani 1 1 d . . . . .
F9_42 F 0.1990(4) 0.1108(2) 0.0668(5) 0.171(4) Uani 1 1 d . . . . .
F10_42 F 0.2606(5) 0.1373(2) 0.0891(4) 0.180(5) Uani 1 1 d . . . . .
F11_42 F 0.2585(6) 0.1198(3) 0.0245(4) 0.219(7) Uani 1 1 d . . . . .
C12_42 C 0.3435(6) 0.0239(3) 0.0336(4) 0.153(5) Uani 1 1 d . . . . .
F13_42 F 0.3122(6) 0.0022(3) 0.0249(6) 0.251(8) Uani 1 1 d . . . . .
F14_42 F 0.3874(6) 0.0120(3) 0.0474(4) 0.229(8) Uani 1 1 d . . . . .
F15_42 F 0.3560(6) 0.0362(3) -0.0044(3) 0.189(5) Uani 1 1 d . . . . .
C16_42 C 0.3772(4) 0.0370(3) 0.2046(4) 0.107(3) Uani 1 1 d . . . . .
C17_42 C 0.4195(4) 0.0436(3) 0.1798(4) 0.113(4) Uani 1 1 d . . . . .
H17_42 H 0.415118 0.057345 0.156779 0.136 Uiso 1 1 calc R . . . .
C18_42 C 0.4672(4) 0.0317(3) 0.1860(4) 0.113(3) Uani 1 1 d . . . . .
C19_42 C 0.4753(5) 0.0127(3) 0.2203(4) 0.132(5) Uani 1 1 d . . . . .
H19_42 H 0.507874 0.004222 0.225408 0.159 Uiso 1 1 calc R . . . .
C20_42 C 0.4353(5) 0.0061(4) 0.2469(5) 0.152(6) Uani 1 1 d . . . . .
C21_42 C 0.3878(5) 0.0192(3) 0.2407(4) 0.125(4) Uani 1 1 d . . . . .
H21_42 H 0.362117 0.015927 0.261549 0.150 Uiso 1 1 calc R . . . .
C22_42 C 0.5093(4) 0.0403(3) 0.1568(4) 0.136(4) Uani 1 1 d . . . . .
F23_42 F 0.4997(5) 0.0361(4) 0.1144(3) 0.201(6) Uani 1 1 d . . . . .
F24_42 F 0.5201(5) 0.0689(3) 0.1596(5) 0.178(4) Uani 1 1 d . . . . .
F25_42 F 0.5531(4) 0.0279(4) 0.1701(6) 0.231(7) Uani 1 1 d . . . . .
C26_42 C 0.4422(6) -0.0158(4) 0.2823(5) 0.202(8) Uani 1 1 d . . . . .
F27_42 F 0.4450(13) -0.0433(4) 0.2687(6) 0.364(16) Uani 1 1 d . . . . .
F28_42 F 0.4862(5) -0.0121(3) 0.3041(4) 0.186(5) Uani 1 1 d . . . . .
F29_42 F 0.4073(6) -0.0140(7) 0.3129(6) 0.324(14) Uani 1 1 d . . . . .
C30_42 C 0.2751(4) 0.0312(2) 0.2110(4) 0.112(3) Uani 1 1 d . . . . .
C31_42 C 0.2271(4) 0.0422(3) 0.2233(4) 0.116(4) Uani 1 1 d . . . . .
H31_42 H 0.222142 0.062638 0.222959 0.139 Uiso 1 1 calc R . . . .
C32_42 C 0.1870(4) 0.0248(3) 0.2359(5) 0.128(4) Uani 1 1 d . . . . .
C33_42 C 0.1927(5) -0.0051(3) 0.2349(5) 0.138(5) Uani 1 1 d . . . . .
H33_42 H 0.166032 -0.017480 0.244001 0.166 Uiso 1 1 calc R . . . .
C34_42 C 0.2382(6) -0.0168(3) 0.2204(6) 0.144(5) Uani 1 1 d . . . . .
C35_42 C 0.2773(5) 0.0009(3) 0.2077(5) 0.127(4) Uani 1 1 d . . . . .
H35_42 H 0.306959 -0.007824 0.196164 0.152 Uiso 1 1 calc R . . . .
C36_42 C 0.1383(5) 0.0381(3) 0.2503(4) 0.137(4) Uani 1 1 d . . . . .
F37_42 F 0.1091(5) 0.0450(3) 0.2156(3) 0.161(4) Uani 1 1 d . . . . .
F38_42 F 0.1097(5) 0.0208(3) 0.2739(5) 0.202(6) Uani 1 1 d . . . . .
F39_42 F 0.1451(5) 0.0625(3) 0.2732(5) 0.199(6) Uani 1 1 d . . . . .
C40_42 C 0.2463(8) -0.0486(3) 0.2221(7) 0.203(8) Uani 1 1 d . . . . .
F41_42 F 0.2090(9) -0.0637(4) 0.2392(8) 0.303(11) Uani 1 1 d . . . . .
F42_42 F 0.2537(10) -0.0592(3) 0.1827(6) 0.263(9) Uani 1 1 d . . . . .
F43_42 F 0.2879(10) -0.0568(4) 0.2457(10) 0.328(13) Uani 1 1 d . . . . .
C44_42 C 0.3211(5) 0.0816(2) 0.2262(4) 0.117(4) Uani 1 1 d . . . . .
C45_42 C 0.3101(6) 0.0810(3) 0.2710(4) 0.130(5) Uani 1 1 d . . . . .
H45_42 H 0.301617 0.062863 0.283531 0.156 Uiso 1 1 calc R . . . .
C46_42 C 0.3108(6) 0.1050(3) 0.2981(4) 0.152(5) Uani 1 1 d . . . . .
C47_42 C 0.3251(7) 0.1317(3) 0.2826(4) 0.158(6) Uani 1 1 d . . . . .
H47_42 H 0.326030 0.148423 0.300869 0.190 Uiso 1 1 calc R . . . .
C48_42 C 0.3380(6) 0.1330(2) 0.2389(5) 0.144(5) Uani 1 1 d . . . . .
C49_42 C 0.3377(5) 0.1086(2) 0.2132(4) 0.121(4) Uani 1 1 d . . . . .
H49_42 H 0.349841 0.110453 0.184177 0.146 Uiso 1 1 calc R . . . .
C50_42 C 0.2978(6) 0.1013(3) 0.3451(4) 0.185(6) Uani 1 1 d . . . . .
F51_42 F 0.2980(6) 0.1258(4) 0.3679(5) 0.244(8) Uani 1 1 d . . . . .
F52_42 F 0.2519(4) 0.0895(3) 0.3506(5) 0.192(5) Uani 1 1 d . . . . .
F53_42 F 0.3294(5) 0.0830(4) 0.3666(4) 0.247(8) Uani 1 1 d . . . . .
C54_42 C 0.3559(7) 0.1610(3) 0.2204(5) 0.191(7) Uani 1 1 d . . . . .
F55_42 F 0.3443(10) 0.1838(3) 0.2439(7) 0.298(11) Uani 1 1 d . . . . .
F56_42 F 0.3394(7) 0.1658(3) 0.1799(5) 0.212(6) Uani 1 1 d . . . . .
F57_42 F 0.4064(6) 0.1612(4) 0.2172(8) 0.253(8) Uani 1 1 d . . . . .
B1_43 B 1.2387(7) 0.2989(4) -0.1900(6) 0.311(8) Uani 1 1 d . . . . .
C2_43 C 1.2517(9) 0.3339(4) -0.1938(5) 0.328(9) Uani 1 1 d . . . . .
C3_43 C 1.2997(9) 0.3460(5) -0.1863(9) 0.324(11) Uani 1 1 d . . . . .
H3_43 H 1.326706 0.333484 -0.177163 0.388 Uiso 1 1 calc R . . . .
C4_43 C 1.3102(8) 0.3755(5) -0.1914(10) 0.352(11) Uani 1 1 d . . . . .
C5_43 C 1.2714(9) 0.3949(6) -0.2012(12) 0.366(12) Uani 1 1 d . . . . .
H5_43 H 1.278059 0.415125 -0.203201 0.440 Uiso 1 1 calc R . . . .
C6_43 C 1.2222(9) 0.3842(5) -0.2082(12) 0.380(11) Uani 1 1 d . . . . .
C7_43 C 1.2135(9) 0.3544(5) -0.2045(7) 0.350(12) Uani 1 1 d . . . . .
H7_43 H 1.179772 0.347469 -0.209412 0.421 Uiso 1 1 calc R . . . .
C8_43 C 1.3639(8) 0.3855(6) -0.1838(8) 0.339(11) Uani 1 1 d . . . . .
F9_43 F 1.3780(10) 0.3840(6) -0.1417(7) 0.298(10) Uani 1 1 d . . . . .
F10_43 F 1.3738(14) 0.4119(7) -0.1982(12) 0.438(16) Uani 1 1 d . . . . .
F11_43 F 1.3979(12) 0.3698(8) -0.2061(10) 0.409(14) Uani 1 1 d . . . . .
C12_43 C 1.1787(9) 0.4034(6) -0.2210(10) 0.407(14) Uani 1 1 d . . . . .
F13_43 F 1.1329(10) 0.3907(8) -0.2266(15) 0.421(17) Uani 1 1 d . . . . .
F14_43 F 1.1735(15) 0.4253(7) -0.1924(12) 0.426(16) Uani 1 1 d . . . . .
F15_43 F 1.1847(15) 0.4158(10) -0.2608(11) 0.463(19) Uani 1 1 d . . . . .
C16_43 C 1.1811(7) 0.2925(5) -0.1727(6) 0.348(10) Uani 1 1 d . . . . .
C17_43 C 1.1570(10) 0.3089(6) -0.1404(9) 0.381(13) Uani 1 1 d . . . . .
H17_43 H 1.175204 0.324123 -0.126035 0.457 Uiso 1 1 calc R . . . .
C18_43 C 1.1067(11) 0.3033(7) -0.1288(10) 0.410(12) Uani 1 1 d . . . . .
C19_43 C 1.0805(11) 0.2796(7) -0.1464(11) 0.429(14) Uani 1 1 d . . . . .
H19_43 H 1.046578 0.275635 -0.137942 0.515 Uiso 1 1 calc R . . . .
C20_43 C 1.1043(11) 0.2616(7) -0.1763(11) 0.420(13) Uani 1 1 d . . . . .
C21_43 C 1.1531(9) 0.2688(6) -0.1888(8) 0.392(13) Uani 1 1 d . . . . .
H21_43 H 1.168711 0.256691 -0.209839 0.470 Uiso 1 1 calc R . . . .
C22_43 C 1.0849(11) 0.3219(7) -0.0934(9) 0.437(15) Uani 1 1 d . . . . .
F23_43 F 1.1210(11) 0.3317(8) -0.0652(13) 0.436(17) Uani 1 1 d . . . . .
F24_43 F 1.0540(15) 0.3071(9) -0.0668(13) 0.463(19) Uani 1 1 d . . . . .
F25_43 F 1.0589(19) 0.3450(9) -0.1078(15) 0.54(2) Uani 1 1 d . . . . .
C26_43 C 1.0810(12) 0.2349(7) -0.1963(10) 0.458(15) Uani 1 1 d . . . . .
F27_43 F 1.0753(19) 0.2373(11) -0.2400(10) 0.52(2) Uani 1 1 d . . . . .
F28_43 F 1.1093(15) 0.2106(7) -0.1919(13) 0.459(16) Uani 1 1 d . . . . .
F29_43 F 1.0359(13) 0.2286(11) -0.1805(15) 0.54(2) Uani 1 1 d . . . . .
C30_43 C 1.2706(5) 0.2798(4) -0.1537(5) 0.255(8) Uani 1 1 d . . . . .
C31_43 C 1.2871(10) 0.2513(4) -0.1616(7) 0.249(9) Uani 1 1 d . . . . .
H31_43 H 1.277122 0.242551 -0.188708 0.299 Uiso 1 1 calc R . . . .
C32_43 C 1.3169(9) 0.2350(4) -0.1328(7) 0.241(8) Uani 1 1 d . . . . .
C33_43 C 1.3265(10) 0.2456(4) -0.0905(6) 0.211(8) Uani 1 1 d . . . . .
H33_43 H 1.345236 0.234594 -0.069394 0.253 Uiso 1 1 calc R . . . .
C34_43 C 1.3076(9) 0.2727(4) -0.0806(5) 0.208(7) Uani 1 1 d . . . . .
C35_43 C 1.2810(7) 0.2897(4) -0.1110(5) 0.221(8) Uani 1 1 d . . . . .
H35_43 H 1.269591 0.308434 -0.102685 0.266 Uiso 1 1 calc R . . . .
C36_43 C 1.3365(9) 0.2060(4) -0.1458(8) 0.299(10) Uani 1 1 d . . . . .
F37_43 F 1.2985(10) 0.1880(5) -0.1559(10) 0.374(14) Uani 1 1 d . . . . .
F38_43 F 1.3609(12) 0.1918(5) -0.1138(8) 0.352(13) Uani 1 1 d . . . . .
F39_43 F 1.3686(12) 0.2079(5) -0.1787(10) 0.365(12) Uani 1 1 d . . . . .
C40_43 C 1.3180(8) 0.2859(4) -0.0367(5) 0.207(6) Uani 1 1 d . . . . .
F41_43 F 1.3455(10) 0.2695(4) -0.0099(7) 0.296(10) Uani 1 1 d . . . . .
F42_43 F 1.3435(6) 0.3113(3) -0.0385(5) 0.203(5) Uani 1 1 d . . . . .
F43_43 F 1.2762(7) 0.2932(5) -0.0146(7) 0.275(8) Uani 1 1 d . . . . .
C44_43 C 1.2470(10) 0.2909(4) -0.2424(6) 0.370(10) Uani 1 1 d . . . . .
C45_43 C 1.2116(10) 0.2850(8) -0.2763(7) 0.405(13) Uani 1 1 d . . . . .
H45_43 H 1.176692 0.285698 -0.269034 0.486 Uiso 1 1 calc R . . . .
C46_43 C 1.2226(10) 0.2783(9) -0.3192(7) 0.438(13) Uani 1 1 d . . . . .
C47_43 C 1.2729(10) 0.2776(9) -0.3329(9) 0.444(14) Uani 1 1 d . . . . .
H47_43 H 1.281665 0.274304 -0.362526 0.533 Uiso 1 1 calc R . . . .
C48_43 C 1.3088(8) 0.2821(9) -0.2998(9) 0.430(13) Uani 1 1 d . . . . .
C49_43 C 1.2976(10) 0.2901(5) -0.2571(8) 0.402(13) Uani 1 1 d . . . . .
H49_43 H 1.324646 0.295087 -0.237280 0.482 Uiso 1 1 calc R . . . .
C50_43 C 1.1842(11) 0.2726(9) -0.3544(8) 0.476(16) Uani 1 1 d . . . . .
F51_43 F 1.2008(18) 0.2807(14) -0.3939(9) 0.57(2) Uani 1 1 d . . . . .
F52_43 F 1.1408(13) 0.2869(12) -0.3498(14) 0.50(2) Uani 1 1 d . . . . .
F53_43 F 1.173(2) 0.2444(9) -0.3583(15) 0.54(2) Uani 1 1 d . . . . .
C54_43 C 1.3627(9) 0.2852(8) -0.3134(9) 0.460(16) Uani 1 1 d . . . . .
F55_43 F 1.3945(12) 0.2765(12) -0.2828(11) 0.485(19) Uani 1 1 d . . . . .
F56_43 F 1.3730(16) 0.2730(11) -0.3515(11) 0.53(2) Uani 1 1 d . . . . .
F57_43 F 1.3711(14) 0.3136(8) -0.3189(14) 0.465(18) Uani 1 1 d . . . . .
N_51 N 0.6837(8) 0.5445(4) 0.4398(5) 0.165(6) Uani 1 1 d . . . . .
C1_51 C 0.6687(8) 0.5596(5) 0.4663(7) 0.165(8) Uani 1 1 d . . . . .
C2_51 C 0.6498(8) 0.5782(6) 0.5007(10) 0.203(12) Uani 1 1 d . . . . .
N_52 N 0.8792(7) 0.3050(3) 0.6350(4) 0.141(5) Uani 1 1 d . . . . .
C1_52 C 0.8911(10) 0.2973(5) 0.6693(5) 0.164(8) Uani 1 1 d . . . . .
C2_52 C 0.9133(18) 0.2899(9) 0.7122(6) 0.27(2) Uani 1 1 d . . . . .
N_54 N 1.0313(6) 0.1230(4) 0.3360(6) 0.156(6) Uani 1 1 d . . . . .
C1_54 C 1.0488(7) 0.1009(4) 0.3443(7) 0.142(6) Uani 1 1 d . . . . .
C2_54 C 1.0755(15) 0.0742(5) 0.3559(10) 0.224(14) Uani 1 1 d . . . . .
N_55 N 0.9792(7) 0.3809(7) 0.2602(10) 0.219(10) Uani 1 1 d . . . . .
C1_55 C 1.0216(8) 0.3841(9) 0.2703(13) 0.274(16) Uani 1 1 d . . . . .
C2_55 C 1.0721(10) 0.3971(14) 0.2759(17) 0.34(3) Uani 1 1 d . . . . .
N_56 N 0.4778(12) 0.2399(12) 0.2289(12) 0.32(2) Uani 1 1 d . . . . .
C1_56 C 0.4682(14) 0.2371(11) 0.2653(11) 0.259(17) Uani 1 1 d . . . . .
C2_56 C 0.4424(16) 0.2294(12) 0.3058(10) 0.257(17) Uani 1 1 d . . . . .
N_57 N 0.349(4) 0.305(2) 0.413(2) 0.35(4) Uiso 0.5 1 d . . P . .
C1_57 C 0.365(3) 0.3056(18) 0.3786(18) 0.25(3) Uiso 0.5 1 d . . P . .
C2_57 C 0.392(2) 0.3023(12) 0.3376(17) 0.173(16) Uiso 0.5 1 d . . P . .
N_58 N 0.9512(11) 0.2487(6) -0.0608(7) 0.175(9) Uani 0.75 1 d . . P . .
C1_58 C 0.953(2) 0.2387(13) -0.0951(10) 0.28(2) Uani 0.75 1 d . . P . .
C2_58 C 0.954(3) 0.2290(16) -0.1405(11) 0.33(3) Uani 0.75 1 d . . P . .
N_59 N 1.0775(17) 0.0345(9) 0.4333(12) 0.32(3) Uani 0.75 1 d . . P . .
C1_59 C 1.0442(12) 0.0185(7) 0.4344(12) 0.173(11) Uani 0.75 1 d . . P . .
C2_59 C 1.0047(13) -0.0036(7) 0.4327(17) 0.216(17) Uani 0.75 1 d . . P . .
N_60 N 0.886(2) -0.0313(11) 0.3950(17) 0.201(17) Uiso 0.5 1 d . . P . .
C1_60 C 0.866(5) -0.0516(15) 0.381(3) 0.34(5) Uiso 0.5 1 d . . P . .
C2_60 C 0.842(3) -0.0795(14) 0.372(3) 0.28(4) Uiso 0.5 1 d . . P . .
N_61 N 1.0775(17) 0.3210(10) 0.3653(15) 0.187(15) Uiso 0.5 1 d . . P . .
C1_61 C 1.089(2) 0.3229(13) 0.4018(16) 0.192(19) Uiso 0.5 1 d . . P . .
C2_61 C 1.096(4) 0.322(2) 0.4494(16) 0.28(4) Uiso 0.5 1 d . . P . .
N_62 N 0.3593(9) 0.4256(6) 0.1653(9) 0.123(7) Uiso 0.5 1 d . . P U 1
C1_62 C 0.3189(9) 0.4284(7) 0.1512(10) 0.113(8) Uiso 0.5 1 d . . P U 1
C2_62 C 0.2682(10) 0.4322(9) 0.1321(13) 0.141(11) Uiso 0.5 1 d . . P U 1
N_63 N 1.0191(16) 0.3326(9) 0.6270(13) 0.179(15) Uani 0.5 1 d . . P . .
C1_63 C 1.0492(19) 0.3320(13) 0.6004(16) 0.20(2) Uani 0.5 1 d . . P . .
C2_63 C 1.0814(14) 0.3299(15) 0.5623(19) 0.22(2) Uani 0.5 1 d . . P . .
O_71 O 0.5029(3) 0.42867(17) 0.0881(2) 0.092(2) Uani 1 1 d . . . . .
O_72 O 0.6406(3) 0.49847(16) 0.2625(3) 0.096(2) Uani 1 1 d . . . . .
O_74 O 0.5257(4) 0.43638(18) 0.4304(3) 0.100(2) Uani 1 1 d . . . . .
O_75 O 0.7489(3) 0.37969(14) 0.5419(2) 0.0733(15) Uani 1 1 d . . . . .
O_76 O 0.7105(3) 0.24762(15) 0.5371(2) 0.0802(17) Uani 1 1 d . . . . .
O_77 O 0.9161(3) 0.18717(15) 0.4377(2) 0.0849(18) Uani 1 1 d . . . . .
O_78 O 0.8208(4) 0.13172(18) 0.2628(3) 0.101(2) Uani 1 1 d . . . . .
O_79 O 0.9192(6) 0.1908(3) 0.0955(4) 0.144(4) Uani 1 1 d . . . . .
O_80 O 0.7070(5) 0.2484(3) -0.0136(3) 0.142(4) Uani 1 1 d . . . . .
O_81 O 0.7296(5) 0.3780(4) -0.0109(3) 0.146(4) Uani 1 1 d . . . . .
O_82 O 0.9489(13) 0.3675(7) -0.0137(11) 0.095(8) Uiso 0.25 1 d . . P V 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1_1 Cs2_2 3.7221(9) . ?
Cs1_1 O1_21 3.523(7) . ?
Cs1_1 O1_22 3.653(6) . ?
Cs1_1 O1_23 3.617(7) . ?
Cs1_1 O1_24 3.573(7) . ?
Cs1_1 O1_25 3.451(7) . ?
Cs1_1 O1_26 3.111(7) . ?
Cs1_1 O1_27 3.058(7) . ?
Cs1_1 O1_28 3.104(7) . ?
Cs1_1 O1_29 3.109(7) . ?
Cs1_1 O1_30 3.079(7) . ?
Cs2_2 Cs3_3 3.6969(9) . ?
Cs2_2 O1_16 3.375(6) . ?
Cs2_2 O1_17 3.483(7) . ?
Cs2_2 O1_18 3.302(7) . ?
Cs2_2 O1_19 3.118(7) . ?
Cs2_2 O1_20 3.184(7) . ?
Cs2_2 O1_21 3.448(7) . ?
Cs2_2 O1_22 3.187(6) . ?
Cs2_2 O1_23 3.095(6) . ?
Cs2_2 O1_24 3.359(7) . ?
Cs2_2 O1_25 3.577(7) . ?
Cs3_3 O1_11 3.111(6) . ?
Cs3_3 O1_12 3.091(6) . ?
Cs3_3 O1_13 3.095(7) . ?
Cs3_3 O1_14 3.087(7) . ?
Cs3_3 O1_15 3.133(6) . ?
Cs3_3 O1_16 3.414(6) . ?
Cs3_3 O1_17 3.494(8) . ?
Cs3_3 O1_18 3.541(8) . ?
Cs3_3 O1_19 3.439(7) . ?
Cs3_3 O1_20 3.345(7) . ?
Cs3_3 N_55 3.58(2) . ?
O1_11 C4_11 1.239(11) . ?
N2_11 H2A_11 0.8800 . ?
N2_11 H2B_11 0.8800 . ?
N2_11 C6_11 1.297(13) . ?
N3_11 C4_11 1.366(12) . ?
N3_11 C11_11 1.349(11) . ?
C4_11 N5_11 1.407(12) . ?
N5_11 H5_11 0.8800 . ?
N5_11 C6_11 1.356(12) . ?
C6_11 C7_11 1.429(14) . ?
C7_11 N8_11 1.388(12) . ?
C7_11 C11_11 1.349(13) . ?
N8_11 C9_11 1.281(14) . ?
C9_11 H9_11 0.9500 . ?
C9_11 N10_11 1.377(11) . ?
N10_11 C11_11 1.396(11) . ?
N10_11 C12_11 1.456(9) . ?
C12_11 H12_11 1.0000 . ?
C12_11 O13_11 1.413(9) . ?
C12_11 C16_11 1.531(10) . ?
O13_11 C14_11 1.444(9) . ?
C14_11 H14_11 1.0000 . ?
C14_11 C15_11 1.529(10) . ?
C14_11 C17_11 1.514(11) . ?
C15_11 H15_11 1.0000 . ?
C15_11 C16_11 1.533(11) . ?
C15_11 O26_11 1.405(10) . ?
C16_11 H16A_11 0.9900 . ?
C16_11 H16B_11 0.9900 . ?
C17_11 H17A_11 0.9900 . ?
C17_11 H17B_11 0.9900 . ?
C17_11 O18_11 1.409(11) . ?
O18_11 Si19_11 1.631(9) . ?
Si19_11 C20_11 1.877(11) . ?
Si19_11 C21_11 1.872(11) . ?
Si19_11 C22_11 1.852(11) . ?
C20_11 H20A_11 0.9800 . ?
C20_11 H20B_11 0.9800 . ?
C20_11 H20C_11 0.9800 . ?
C21_11 H21A_11 0.9800 . ?
C21_11 H21B_11 0.9800 . ?
C21_11 H21C_11 0.9800 . ?
C22_11 C23_11 1.544(13) . ?
C22_11 C24_11 1.538(13) . ?
C22_11 C25_11 1.536(13) . ?
C23_11 H23A_11 0.9800 . ?
C23_11 H23B_11 0.9800 . ?
C23_11 H23C_11 0.9800 . ?
C24_11 H24A_11 0.9800 . ?
C24_11 H24B_11 0.9800 . ?
C24_11 H24C_11 0.9800 . ?
C25_11 H25A_11 0.9800 . ?
C25_11 H25B_11 0.9800 . ?
C25_11 H25C_11 0.9800 . ?
O26_11 Si27_11^a 1.696(10) . ?
O26_11 Si27_11^b 1.606(10) . ?
Si27_11^a C28_11^a 1.845(13) . ?
Si27_11^a C29_11^a 1.855(13) . ?
Si27_11^a C30_11^a 1.888(12) . ?
C28_11^a H28A_11 0.9800 . ?
C28_11^a H28B_11 0.9800 . ?
C28_11^a H28C_11 0.9800 . ?
C29_11^a H29A_11 0.9800 . ?
C29_11^a H29B_11 0.9800 . ?
C29_11^a H29C_11 0.9800 . ?
C30_11^a C31_11^a 1.528(13) . ?
C30_11^a C32_11^a 1.528(14) . ?
C30_11^a C33_11^a 1.536(13) . ?
C31_11^a H31A_11 0.9800 . ?
C31_11^a H31B_11 0.9800 . ?
C31_11^a H31C_11 0.9800 . ?
C32_11^a H32A_11 0.9800 . ?
C32_11^a H32B_11 0.9800 . ?
C32_11^a H32C_11 0.9800 . ?
C33_11^a H33A_11 0.9800 . ?
C33_11^a H33B_11 0.9800 . ?
C33_11^a H33C_11 0.9800 . ?
Si27_11^b C28_11^b 1.862(13) . ?
Si27_11^b C29_11^b 1.873(13) . ?
Si27_11^b C30_11^b 1.883(13) . ?
C28_11^b H28D_11 0.9800 . ?
C28_11^b H28E_11 0.9800 . ?
C28_11^b H28F_11 0.9800 . ?
C29_11^b H29D_11 0.9800 . ?
C29_11^b H29E_11 0.9800 . ?
C29_11^b H29F_11 0.9800 . ?
C30_11^b C31_11^b 1.518(14) . ?
C30_11^b C32_11^b 1.550(14) . ?
C30_11^b C33_11^b 1.540(14) . ?
C31_11^b H31D_11 0.9800 . ?
C31_11^b H31E_11 0.9800 . ?
C31_11^b H31F_11 0.9800 . ?
C32_11^b H32D_11 0.9800 . ?
C32_11^b H32E_11 0.9800 . ?
C32_11^b H32F_11 0.9800 . ?
C33_11^b H33D_11 0.9800 . ?
C33_11^b H33E_11 0.9800 . ?
C33_11^b H33F_11 0.9800 . ?
O1_12 C4_12 1.269(12) . ?
N2_12 H2A_12 0.8800 . ?
N2_12 H2B_12 0.8800 . ?
N2_12 C6_12 1.319(14) . ?
N3_12 C4_12 1.327(12) . ?
N3_12 C11_12 1.339(12) . ?
C4_12 N5_12 1.393(13) . ?
N5_12 H5_12 0.8800 . ?
N5_12 C6_12 1.333(13) . ?
C6_12 C7_12 1.412(14) . ?
C7_12 N8_12 1.406(14) . ?
C7_12 C11_12 1.374(14) . ?
N8_12 C9_12 1.303(14) . ?
C9_12 H9_12 0.9500 . ?
C9_12 N10_12 1.358(13) . ?
N10_12 C11_12 1.388(12) . ?
N10_12 C12_12 1.456(9) . ?
C12_12 H12_12 1.0000 . ?
C12_12 O13_12 1.424(10) . ?
C12_12 C16_12 1.525(10) . ?
O13_12 C14_12 1.437(10) . ?
C14_12 H14_12 1.0000 . ?
C14_12 C15_12 1.539(11) . ?
C14_12 C17_12 1.521(11) . ?
C15_12 H15_12 1.0000 . ?
C15_12 C16_12 1.547(11) . ?
C15_12 O26_12 1.423(9) . ?
C16_12 H16A_12 0.9900 . ?
C16_12 H16B_12 0.9900 . ?
C17_12 H17A_12 0.9900 . ?
C17_12 H17B_12 0.9900 . ?
C17_12 O18_12 1.434(12) . ?
O18_12 Si19_12 1.640(9) . ?
Si19_12 C20_12 1.857(12) . ?
Si19_12 C21_12 1.876(12) . ?
Si19_12 C22_12 1.868(11) . ?
C20_12 H20A_12 0.9800 . ?
C20_12 H20B_12 0.9800 . ?
C20_12 H20C_12 0.9800 . ?
C21_12 H21A_12 0.9800 . ?
C21_12 H21B_12 0.9800 . ?
C21_12 H21C_12 0.9800 . ?
C22_12 C23_12 1.542(13) . ?
C22_12 C24_12 1.548(13) . ?
C22_12 C25_12 1.522(13) . ?
C23_12 H23A_12 0.9800 . ?
C23_12 H23B_12 0.9800 . ?
C23_12 H23C_12 0.9800 . ?
C24_12 H24A_12 0.9800 . ?
C24_12 H24B_12 0.9800 . ?
C24_12 H24C_12 0.9800 . ?
C25_12 H25A_12 0.9800 . ?
C25_12 H25B_12 0.9800 . ?
C25_12 H25C_12 0.9800 . ?
O26_12 Si27_12 1.668(8) . ?
Si27_12 C28_12 1.851(11) . ?
Si27_12 C29_12 1.853(10) . ?
Si27_12 C30_12 1.877(10) . ?
C28_12 H28A_12 0.9800 . ?
C28_12 H28B_12 0.9800 . ?
C28_12 H28C_12 0.9800 . ?
C29_12 H29A_12 0.9800 . ?
C29_12 H29B_12 0.9800 . ?
C29_12 H29C_12 0.9800 . ?
C30_12 C31_12 1.537(12) . ?
C30_12 C32_12 1.538(12) . ?
C30_12 C33_12 1.539(12) . ?
C31_12 H31A_12 0.9800 . ?
C31_12 H31B_12 0.9800 . ?
C31_12 H31C_12 0.9800 . ?
C32_12 H32A_12 0.9800 . ?
C32_12 H32B_12 0.9800 . ?
C32_12 H32C_12 0.9800 . ?
C33_12 H33A_12 0.9800 . ?
C33_12 H33B_12 0.9800 . ?
C33_12 H33C_12 0.9800 . ?
O1_13 C4_13 1.270(12) . ?
N2_13 H2A_13 0.8800 . ?
N2_13 H2B_13 0.8800 . ?
N2_13 C6_13 1.312(14) . ?
N3_13 C4_13 1.321(14) . ?
N3_13 C11_13 1.369(13) . ?
C4_13 N5_13 1.386(13) . ?
N5_13 H5_13 0.8800 . ?
N5_13 C6_13 1.374(12) . ?
C6_13 C7_13 1.380(16) . ?
C7_13 N8_13 1.403(14) . ?
C7_13 C11_13 1.348(15) . ?
N8_13 C9_13 1.299(17) . ?
C9_13 H9_13 0.9500 . ?
C9_13 N10_13 1.369(15) . ?
N10_13 C11_13 1.376(13) . ?
N10_13 C12_13 1.458(10) . ?
C12_13 H12_13 1.0000 . ?
C12_13 O13_13 1.427(11) . ?
C12_13 C16_13 1.538(11) . ?
O13_13 C14_13 1.419(11) . ?
C14_13 H14_13 1.0000 . ?
C14_13 C15_13 1.518(12) . ?
C14_13 C17_13 1.507(12) . ?
C15_13 H15_13 1.0000 . ?
C15_13 C16_13 1.533(12) . ?
C15_13 O26_13 1.422(11) . ?
C16_13 H16A_13 0.9900 . ?
C16_13 H16B_13 0.9900 . ?
C17_13 H17A_13 0.9900 . ?
C17_13 H17B_13 0.9900 . ?
C17_13 O18_13 1.422(12) . ?
O18_13 Si19_13 1.634(10) . ?
Si19_13 C20_13 1.858(11) . ?
Si19_13 C21_13 1.883(12) . ?
Si19_13 C22_13 1.860(12) . ?
C20_13 H20A_13 0.9800 . ?
C20_13 H20B_13 0.9800 . ?
C20_13 H20C_13 0.9800 . ?
C21_13 H21A_13 0.9800 . ?
C21_13 H21B_13 0.9800 . ?
C21_13 H21C_13 0.9800 . ?
C22_13 C23_13 1.517(13) . ?
C22_13 C24_13 1.560(13) . ?
C22_13 C25_13 1.536(13) . ?
C23_13 H23A_13 0.9800 . ?
C23_13 H23B_13 0.9800 . ?
C23_13 H23C_13 0.9800 . ?
C24_13 H24A_13 0.9800 . ?
C24_13 H24B_13 0.9800 . ?
C24_13 H24C_13 0.9800 . ?
C25_13 H25A_13 0.9800 . ?
C25_13 H25B_13 0.9800 . ?
C25_13 H25C_13 0.9800 . ?
O26_13 Si27_13 1.643(9) . ?
Si27_13 C28_13 1.877(13) . ?
Si27_13 C29_13 1.860(13) . ?
Si27_13 C30_13 1.865(12) . ?
C28_13 H28A_13 0.9800 . ?
C28_13 H28B_13 0.9800 . ?
C28_13 H28C_13 0.9800 . ?
C29_13 H29A_13 0.9800 . ?
C29_13 H29B_13 0.9800 . ?
C29_13 H29C_13 0.9800 . ?
C30_13 C31_13 1.539(13) . ?
C30_13 C32_13 1.563(14) . ?
C30_13 C33_13 1.520(13) . ?
C31_13 H31A_13 0.9800 . ?
C31_13 H31B_13 0.9800 . ?
C31_13 H31C_13 0.9800 . ?
C32_13 H32A_13 0.9800 . ?
C32_13 H32B_13 0.9800 . ?
C32_13 H32C_13 0.9800 . ?
C33_13 H33A_13 0.9800 . ?
C33_13 H33B_13 0.9800 . ?
C33_13 H33C_13 0.9800 . ?
O1_14 C4_14 1.253(12) . ?
N2_14 H2A_14 0.8800 . ?
N2_14 H2B_14 0.8800 . ?
N2_14 C6_14 1.330(14) . ?
N3_14 C4_14 1.344(13) . ?
N3_14 C11_14 1.349(13) . ?
C4_14 N5_14 1.393(14) . ?
N5_14 H5_14 0.8800 . ?
N5_14 C6_14 1.362(13) . ?
C6_14 C7_14 1.391(13) . ?
C7_14 N8_14 1.404(13) . ?
C7_14 C11_14 1.367(15) . ?
N8_14 C9_14 1.316(15) . ?
C9_14 H9_14 0.9500 . ?
C9_14 N10_14 1.387(14) . ?
N10_14 C11_14 1.359(12) . ?
N10_14 C12_14 1.468(10) . ?
C12_14 H12_14 1.0000 . ?
C12_14 O13_14 1.409(10) . ?
C12_14 C16_14 1.532(10) . ?
O13_14 C14_14 1.424(10) . ?
C14_14 H14_14 1.0000 . ?
C14_14 C15_14 1.528(11) . ?
C14_14 C17_14 1.500(11) . ?
C15_14 H15A_14 1.0000 . ?
C15_14 H15_14 1.0000 . ?
C15_14 C16_14 1.538(11) . ?
C15_14 O26_14^p 1.405(13) . ?
C15_14 O26_14^b 1.427(12) . ?
C16_14 H16A_14 0.9900 . ?
C16_14 H16B_14 0.9900 . ?
C17_14 H17A_14 0.9900 . ?
C17_14 H17B_14 0.9900 . ?
C17_14 O18_14 1.437(12) . ?
O18_14 Si19_14 1.627(9) . ?
Si19_14 C20_14 1.891(12) . ?
Si19_14 C21_14 1.862(11) . ?
Si19_14 C22_14 1.861(11) . ?
C20_14 H20A_14 0.9800 . ?
C20_14 H20B_14 0.9800 . ?
C20_14 H20C_14 0.9800 . ?
C21_14 H21A_14 0.9800 . ?
C21_14 H21B_14 0.9800 . ?
C21_14 H21C_14 0.9800 . ?
C22_14 C23_14 1.526(13) . ?
C22_14 C24_14 1.550(13) . ?
C22_14 C25_14 1.535(13) . ?
C23_14 H23A_14 0.9800 . ?
C23_14 H23B_14 0.9800 . ?
C23_14 H23C_14 0.9800 . ?
C24_14 H24A_14 0.9800 . ?
C24_14 H24B_14 0.9800 . ?
C24_14 H24C_14 0.9800 . ?
C25_14 H25A_14 0.9800 . ?
C25_14 H25B_14 0.9800 . ?
C25_14 H25C_14 0.9800 . ?
O26_14^p Si27_14^p 1.655(12) . ?
Si27_14^p C28_14^p 1.889(13) . ?
Si27_14^p C29_14^p 1.858(13) . ?
Si27_14^p C30_14^p 1.856(12) . ?
C28_14^p H28A_14 0.9800 . ?
C28_14^p H28B_14 0.9800 . ?
C28_14^p H28C_14 0.9800 . ?
C29_14^p H29A_14 0.9800 . ?
C29_14^p H29B_14 0.9800 . ?
C29_14^p H29C_14 0.9800 . ?
C30_14^p C31_14^p 1.538(14) . ?
C30_14^p C32_14^p 1.537(14) . ?
C30_14^p C33_14^p 1.545(14) . ?
C31_14^p H31A_14 0.9800 . ?
C31_14^p H31B_14 0.9800 . ?
C31_14^p H31C_14 0.9800 . ?
C32_14^p H32A_14 0.9800 . ?
C32_14^p H32B_14 0.9800 . ?
C32_14^p H32C_14 0.9800 . ?
C33_14^p H33A_14 0.9800 . ?
C33_14^p H33B_14 0.9800 . ?
C33_14^p H33C_14 0.9800 . ?
O26_14^b Si27_14^b 1.653(12) . ?
Si27_14^b C28_14^b 1.859(13) . ?
Si27_14^b C29_14^b 1.882(12) . ?
Si27_14^b C30_14^b 1.858(12) . ?
C28_14^b H28D_14 0.9800 . ?
C28_14^b H28E_14 0.9800 . ?
C28_14^b H28F_14 0.9800 . ?
C29_14^b H29D_14 0.9800 . ?
C29_14^b H29E_14 0.9800 . ?
C29_14^b H29F_14 0.9800 . ?
C30_14^b C31_14^b 1.524(13) . ?
C30_14^b C32_14^b 1.551(14) . ?
C30_14^b C33_14^b 1.554(14) . ?
C31_14^b H31D_14 0.9800 . ?
C31_14^b H31E_14 0.9800 . ?
C31_14^b H31F_14 0.9800 . ?
C32_14^b H32D_14 0.9800 . ?
C32_14^b H32E_14 0.9800 . ?
C32_14^b H32F_14 0.9800 . ?
C33_14^b H33D_14 0.9800 . ?
C33_14^b H33E_14 0.9800 . ?
C33_14^b H33F_14 0.9800 . ?
O1_15 C4_15 1.266(12) . ?
N2_15 H2A_15 0.8800 . ?
N2_15 H2B_15 0.8800 . ?
N2_15 C6_15 1.319(12) . ?
N3_15 C4_15 1.364(12) . ?
N3_15 C11_15 1.326(12) . ?
C4_15 N5_15 1.358(12) . ?
N5_15 H5_15 0.8800 . ?
N5_15 C6_15 1.379(12) . ?
C6_15 C7_15 1.387(13) . ?
C7_15 N8_15 1.395(13) . ?
C7_15 C11_15 1.388(13) . ?
N8_15 C9_15 1.317(13) . ?
C9_15 H9_15 0.9500 . ?
C9_15 N10_15 1.367(12) . ?
N10_15 C11_15 1.381(11) . ?
N10_15 C12_15 1.463(9) . ?
C12_15 H12_15 1.0000 . ?
C12_15 O13_15 1.417(10) . ?
C12_15 C16_15 1.524(10) . ?
O13_15 C14_15 1.433(9) . ?
C14_15 H14_15 1.0000 . ?
C14_15 C15_15 1.541(11) . ?
C14_15 C17_15 1.504(11) . ?
C15_15 H15_15 1.0000 . ?
C15_15 C16_15 1.532(10) . ?
C15_15 O26_15 1.428(9) . ?
C16_15 H16A_15 0.9900 . ?
C16_15 H16B_15 0.9900 . ?
C17_15 H17A_15 0.9900 . ?
C17_15 H17B_15 0.9900 . ?
C17_15 H17C_15 0.9900 . ?
C17_15 H17D_15 0.9900 . ?
C17_15 O18_15^a 1.431(13) . ?
C17_15 O18_15^b 1.422(14) . ?
O18_15^a Si19_15^a 1.663(12) . ?
Si19_15^a C20_15^a 1.871(13) . ?
Si19_15^a C21_15^a 1.858(12) . ?
Si19_15^a C22_15^a 1.881(12) . ?
C20_15^a H20A_15 0.9800 . ?
C20_15^a H20B_15 0.9800 . ?
C20_15^a H20C_15 0.9800 . ?
C21_15^a H21A_15 0.9800 . ?
C21_15^a H21B_15 0.9800 . ?
C21_15^a H21C_15 0.9800 . ?
C22_15^a C23_15^a 1.527(13) . ?
C22_15^a C24_15^a 1.540(13) . ?
C22_15^a C25_15^a 1.534(13) . ?
C23_15^a H23A_15 0.9800 . ?
C23_15^a H23B_15 0.9800 . ?
C23_15^a H23C_15 0.9800 . ?
C24_15^a H24A_15 0.9800 . ?
C24_15^a H24B_15 0.9800 . ?
C24_15^a H24C_15 0.9800 . ?
C25_15^a H25A_15 0.9800 . ?
C25_15^a H25B_15 0.9800 . ?
C25_15^a H25C_15 0.9800 . ?
O18_15^b Si19_15^b 1.661(13) . ?
Si19_15^b C20_15^b 1.852(13) . ?
Si19_15^b C21_15^b 1.867(13) . ?
Si19_15^b C22_15^b 1.883(13) . ?
C20_15^b H20D_15 0.9800 . ?
C20_15^b H20E_15 0.9800 . ?
C20_15^b H20F_15 0.9800 . ?
C21_15^b H21D_15 0.9800 . ?
C21_15^b H21E_15 0.9800 . ?
C21_15^b H21F_15 0.9800 . ?
C22_15^b C23_15^b 1.531(14) . ?
C22_15^b C24_15^b 1.540(14) . ?
C22_15^b C25_15^b 1.535(14) . ?
C23_15^b H23D_15 0.9800 . ?
C23_15^b H23E_15 0.9800 . ?
C23_15^b H23F_15 0.9800 . ?
C24_15^b H24D_15 0.9800 . ?
C24_15^b H24E_15 0.9800 . ?
C24_15^b H24F_15 0.9800 . ?
C25_15^b H25D_15 0.9800 . ?
C25_15^b H25E_15 0.9800 . ?
C25_15^b H25F_15 0.9800 . ?
O26_15 Si27_15 1.644(7) . ?
Si27_15 C28_15 1.842(11) . ?
Si27_15 C29_15 1.856(10) . ?
Si27_15 C30_15 1.891(10) . ?
C28_15 H28A_15 0.9800 . ?
C28_15 H28B_15 0.9800 . ?
C28_15 H28C_15 0.9800 . ?
C29_15 H29A_15 0.9800 . ?
C29_15 H29B_15 0.9800 . ?
C29_15 H29C_15 0.9800 . ?
C30_15 C31_15 1.524(12) . ?
C30_15 C32_15 1.540(13) . ?
C30_15 C33_15 1.527(12) . ?
C31_15 H31A_15 0.9800 . ?
C31_15 H31B_15 0.9800 . ?
C31_15 H31C_15 0.9800 . ?
C32_15 H32A_15 0.9800 . ?
C32_15 H32B_15 0.9800 . ?
C32_15 H32C_15 0.9800 . ?
C33_15 H33A_15 0.9800 . ?
C33_15 H33B_15 0.9800 . ?
C33_15 H33C_15 0.9800 . ?
O1_16 C4_16 1.264(11) . ?
N2_16 H2A_16 0.8800 . ?
N2_16 H2B_16 0.8800 . ?
N2_16 C6_16 1.316(11) . ?
N3_16 C4_16 1.331(11) . ?
N3_16 C11_16 1.342(11) . ?
C4_16 N5_16 1.398(12) . ?
N5_16 H5_16 0.8800 . ?
N5_16 C6_16 1.378(11) . ?
C6_16 C7_16 1.384(11) . ?
C7_16 N8_16 1.407(11) . ?
C7_16 C11_16 1.381(12) . ?
N8_16 C9_16 1.296(11) . ?
C9_16 H9_16 0.9500 . ?
C9_16 N10_16 1.364(11) . ?
N10_16 C11_16 1.391(10) . ?
N10_16 C12_16 1.461(9) . ?
C12_16 H12_16 1.0000 . ?
C12_16 O13_16 1.416(9) . ?
C12_16 C16_16 1.535(10) . ?
O13_16 C14_16 1.434(9) . ?
C14_16 H14_16 1.0000 . ?
C14_16 C15_16 1.521(10) . ?
C14_16 C17_16 1.483(10) . ?
C15_16 H15_16 1.0000 . ?
C15_16 C16_16 1.535(10) . ?
C15_16 O26_16 1.400(9) . ?
C16_16 H16A_16 0.9900 . ?
C16_16 H16B_16 0.9900 . ?
C17_16 H17A_16 0.9900 . ?
C17_16 H17B_16 0.9900 . ?
C17_16 H17C_16 0.9900 . ?
C17_16 H17D_16 0.9900 . ?
C17_16 O18_16^a 1.451(12) . ?
C17_16 O18_16^b 1.384(13) . ?
O18_16^a Si19_16^a 1.677(9) . ?
Si19_16^a C20_16^a 1.865(11) . ?
Si19_16^a C21_16^a 1.852(12) . ?
Si19_16^a C22_16^a 1.852(11) . ?
C20_16^a H20A_16 0.9800 . ?
C20_16^a H20B_16 0.9800 . ?
C20_16^a H20C_16 0.9800 . ?
C21_16^a H21A_16 0.9800 . ?
C21_16^a H21B_16 0.9800 . ?
C21_16^a H21C_16 0.9800 . ?
C22_16^a C23_16^a 1.538(13) . ?
C22_16^a C24_16^a 1.545(13) . ?
C22_16^a C25_16^a 1.525(13) . ?
C23_16^a H23A_16 0.9800 . ?
C23_16^a H23B_16 0.9800 . ?
C23_16^a H23C_16 0.9800 . ?
C24_16^a H24A_16 0.9800 . ?
C24_16^a H24B_16 0.9800 . ?
C24_16^a H24C_16 0.9800 . ?
C25_16^a H25A_16 0.9800 . ?
C25_16^a H25B_16 0.9800 . ?
C25_16^a H25C_16 0.9800 . ?
O18_16^b Si19_16^b 1.663(12) . ?
Si19_16^b C20_16^b 1.865(13) . ?
Si19_16^b C21_16^b 1.850(13) . ?
Si19_16^b C22_16^b 1.881(13) . ?
C20_16^b H20D_16 0.9800 . ?
C20_16^b H20E_16 0.9800 . ?
C20_16^b H20F_16 0.9800 . ?
C21_16^b H21D_16 0.9800 . ?
C21_16^b H21E_16 0.9800 . ?
C21_16^b H21F_16 0.9800 . ?
C22_16^b C23_16^b 1.541(14) . ?
C22_16^b C24_16^b 1.525(13) . ?
C22_16^b C25_16^b 1.528(14) . ?
C23_16^b H23D_16 0.9800 . ?
C23_16^b H23E_16 0.9800 . ?
C23_16^b H23F_16 0.9800 . ?
C24_16^b H24D_16 0.9800 . ?
C24_16^b H24E_16 0.9800 . ?
C24_16^b H24F_16 0.9800 . ?
C25_16^b H25D_16 0.9800 . ?
C25_16^b H25E_16 0.9800 . ?
C25_16^b H25F_16 0.9800 . ?
O26_16 Si27_16 1.656(8) . ?
Si27_16 C28_16 1.850(10) . ?
Si27_16 C29_16 1.859(11) . ?
Si27_16 C30_16 1.878(9) . ?
C28_16 H28A_16 0.9800 . ?
C28_16 H28B_16 0.9800 . ?
C28_16 H28C_16 0.9800 . ?
C29_16 H29A_16 0.9800 . ?
C29_16 H29B_16 0.9800 . ?
C29_16 H29C_16 0.9800 . ?
C30_16 C31_16 1.534(12) . ?
C30_16 C32_16 1.539(12) . ?
C30_16 C33_16 1.535(12) . ?
C31_16 H31A_16 0.9800 . ?
C31_16 H31B_16 0.9800 . ?
C31_16 H31C_16 0.9800 . ?
C32_16 H32A_16 0.9800 . ?
C32_16 H32B_16 0.9800 . ?
C32_16 H32C_16 0.9800 . ?
C33_16 H33A_16 0.9800 . ?
C33_16 H33B_16 0.9800 . ?
C33_16 H33C_16 0.9800 . ?
O1_17 C4_17 1.243(13) . ?
N2_17 H2A_17 0.8800 . ?
N2_17 H2B_17 0.8800 . ?
N2_17 C6_17 1.332(12) . ?
N3_17 C4_17 1.337(14) . ?
N3_17 C11_17 1.340(13) . ?
C4_17 N5_17 1.406(12) . ?
N5_17 H5_17 0.8800 . ?
N5_17 C6_17 1.344(12) . ?
C6_17 C7_17 1.407(13) . ?
C7_17 N8_17 1.352(13) . ?
C7_17 C11_17 1.389(13) . ?
N8_17 C9_17 1.346(14) . ?
C9_17 H9_17 0.9500 . ?
C9_17 N10_17 1.368(14) . ?
N10_17 C11_17 1.389(12) . ?
N10_17 C12_17 1.443(10) . ?
C12_17 H12_17 1.0000 . ?
C12_17 O13_17 1.382(10) . ?
C12_17 C16_17 1.526(11) . ?
O13_17 C14_17 1.459(11) . ?
C14_17 H14_17 1.0000 . ?
C14_17 C15_17 1.532(12) . ?
C14_17 C17_17 1.496(12) . ?
C15_17 H15_17 1.0000 . ?
C15_17 H15A_17 1.0000 . ?
C15_17 C16_17 1.524(12) . ?
C15_17 O26_17^a 1.415(12) . ?
C15_17 O26_17^b 1.424(13) . ?
C16_17 H16A_17 0.9900 . ?
C16_17 H16B_17 0.9900 . ?
C17_17 H17A_17 0.9900 . ?
C17_17 H17B_17 0.9900 . ?
C17_17 O18_17 1.448(12) . ?
O18_17 Si19_17 1.612(10) . ?
Si19_17 C20_17 1.840(12) . ?
Si19_17 C21_17 1.908(13) . ?
Si19_17 C22_17 1.870(12) . ?
C20_17 H20A_17 0.9800 . ?
C20_17 H20B_17 0.9800 . ?
C20_17 H20C_17 0.9800 . ?
C21_17 H21A_17 0.9800 . ?
C21_17 H21B_17 0.9800 . ?
C21_17 H21C_17 0.9800 . ?
C23_17 H23A_17 0.9800 . ?
C23_17 H23B_17 0.9800 . ?
C23_17 H23C_17 0.9800 . ?
C23_17 C22_17 1.524(13) . ?
C22_17 C24_17 1.532(13) . ?
C22_17 C25_17 1.530(13) . ?
C24_17 H24A_17 0.9800 . ?
C24_17 H24B_17 0.9800 . ?
C24_17 H24C_17 0.9800 . ?
C25_17 H25A_17 0.9800 . ?
C25_17 H25B_17 0.9800 . ?
C25_17 H25C_17 0.9800 . ?
O26_17^a Si27_17^a 1.670(12) . ?
Si27_17^a C28_17^a 1.867(12) . ?
Si27_17^a C29_17^a 1.849(12) . ?
Si27_17^a C30_17^a 1.880(11) . ?
C28_17^a H28A_17 0.9800 . ?
C28_17^a H28B_17 0.9800 . ?
C28_17^a H28C_17 0.9800 . ?
C29_17^a H29A_17 0.9800 . ?
C29_17^a H29B_17 0.9800 . ?
C29_17^a H29C_17 0.9800 . ?
C30_17^a C31_17^a 1.542(13) . ?
C30_17^a C32_17^a 1.547(13) . ?
C30_17^a C33_17^a 1.532(13) . ?
C31_17^a H31A_17 0.9800 . ?
C31_17^a H31B_17 0.9800 . ?
C31_17^a H31C_17 0.9800 . ?
C32_17^a H32A_17 0.9800 . ?
C32_17^a H32B_17 0.9800 . ?
C32_17^a H32C_17 0.9800 . ?
C33_17^a H33A_17 0.9800 . ?
C33_17^a H33B_17 0.9800 . ?
C33_17^a H33C_17 0.9800 . ?
O26_17^b Si27_17^b 1.656(12) . ?
Si27_17^b C28_17^b 1.855(13) . ?
Si27_17^b C29_17^b 1.879(13) . ?
Si27_17^b C30_17^b 1.878(12) . ?
C28_17^b H28D_17 0.9800 . ?
C28_17^b H28E_17 0.9800 . ?
C28_17^b H28F_17 0.9800 . ?
C29_17^b H29D_17 0.9800 . ?
C29_17^b H29E_17 0.9800 . ?
C29_17^b H29F_17 0.9800 . ?
C30_17^b C31_17^b 1.524(13) . ?
C30_17^b C32_17^b 1.538(14) . ?
C30_17^b C33_17^b 1.538(14) . ?
C31_17^b H31D_17 0.9800 . ?
C31_17^b H31E_17 0.9800 . ?
C31_17^b H31F_17 0.9800 . ?
C32_17^b H32D_17 0.9800 . ?
C32_17^b H32E_17 0.9800 . ?
C32_17^b H32F_17 0.9800 . ?
C33_17^b H33D_17 0.9800 . ?
C33_17^b H33E_17 0.9800 . ?
C33_17^b H33F_17 0.9800 . ?
O1_18 C4_18 1.243(14) . ?
N2_18 H2A_18 0.8800 . ?
N2_18 H2B_18 0.8800 . ?
N2_18 C6_18 1.329(16) . ?
N3_18 C4_18 1.369(14) . ?
N3_18 C11_18 1.361(18) . ?
C4_18 N5_18 1.391(15) . ?
N5_18 H5_18 0.8800 . ?
N5_18 C6_18 1.336(15) . ?
C6_18 C7_18 1.404(16) . ?
C7_18 N8_18 1.415(17) . ?
C7_18 C11_18 1.328(19) . ?
N8_18 C9_18 1.34(2) . ?
C9_18 H9_18 0.9500 . ?
C9_18 N10_18 1.34(2) . ?
N10_18 C11_18 1.400(15) . ?
N10_18 C12_18 1.453(12) . ?
C12_18 H12_18 1.0000 . ?
C12_18 O13_18 1.391(12) . ?
C12_18 C16_18 1.520(13) . ?
O13_18 C14_18 1.428(12) . ?
C14_18 H14_18 1.0000 . ?
C14_18 C15_18 1.526(13) . ?
C14_18 C17_18 1.510(14) . ?
C15_18 H15_18 1.0000 . ?
C15_18 H15A_18 1.0000 . ?
C15_18 C16_18 1.542(13) . ?
C15_18 O26_18^a 1.407(13) . ?
C15_18 O26_18^b 1.449(14) . ?
C16_18 H16A_18 0.9900 . ?
C16_18 H16B_18 0.9900 . ?
C17_18 H17A_18 0.9900 . ?
C17_18 H17B_18 0.9900 . ?
C17_18 H17C_18 0.9900 . ?
C17_18 H17D_18 0.9900 . ?
C17_18 O18_18^a 1.400(14) . ?
C17_18 O18_18^b 1.439(14) . ?
O18_18^a Si19_18^a 1.639(14) . ?
Si19_18^a C20_18^a 1.859(14) . ?
Si19_18^a C21_18^a 1.861(14) . ?
Si19_18^a C22_18^a 1.890(13) . ?
C20_18^a H20A_18 0.9800 . ?
C20_18^a H20B_18 0.9800 . ?
C20_18^a H20C_18 0.9800 . ?
C21_18^a H21A_18 0.9800 . ?
C21_18^a H21B_18 0.9800 . ?
C21_18^a H21C_18 0.9800 . ?
C22_18^a C23_18^a 1.533(14) . ?
C22_18^a C24_18^a 1.534(14) . ?
C22_18^a C25_18^a 1.535(14) . ?
C23_18^a H23A_18 0.9800 . ?
C23_18^a H23B_18 0.9800 . ?
C23_18^a H23C_18 0.9800 . ?
C24_18^a H24A_18 0.9800 . ?
C24_18^a H24B_18 0.9800 . ?
C24_18^a H24C_18 0.9800 . ?
C25_18^a H25A_18 0.9800 . ?
C25_18^a H25B_18 0.9800 . ?
C25_18^a H25C_18 0.9800 . ?
O18_18^b Si19_18^b 1.650(13) . ?
Si19_18^b C20_18^b 1.868(13) . ?
Si19_18^b C21_18^b 1.850(13) . ?
Si19_18^b C22_18^b 1.888(13) . ?
C20_18^b H20D_18 0.9800 . ?
C20_18^b H20E_18 0.9800 . ?
C20_18^b H20F_18 0.9800 . ?
C21_18^b H21D_18 0.9800 . ?
C21_18^b H21E_18 0.9800 . ?
C21_18^b H21F_18 0.9800 . ?
C22_18^b C23_18^b 1.535(14) . ?
C22_18^b C24_18^b 1.537(14) . ?
C22_18^b C25_18^b 1.529(14) . ?
C23_18^b H23D_18 0.9800 . ?
C23_18^b H23E_18 0.9800 . ?
C23_18^b H23F_18 0.9800 . ?
C24_18^b H24D_18 0.9800 . ?
C24_18^b H24E_18 0.9800 . ?
C24_18^b H24F_18 0.9800 . ?
C25_18^b H25D_18 0.9800 . ?
C25_18^b H25E_18 0.9800 . ?
C25_18^b H25F_18 0.9800 . ?
O26_18^a Si27_18^a 1.665(13) . ?
Si27_18^a C28_18^a 1.871(13) . ?
Si27_18^a C29_18^a 1.843(13) . ?
Si27_18^a C30_18^a 1.882(13) . ?
C28_18^a H28A_18 0.9800 . ?
C28_18^a H28B_18 0.9800 . ?
C28_18^a H28C_18 0.9800 . ?
C29_18^a H29A_18 0.9800 . ?
C29_18^a H29B_18 0.9800 . ?
C29_18^a H29C_18 0.9800 . ?
C30_18^a C31_18^a 1.530(14) . ?
C30_18^a C32_18^a 1.545(14) . ?
C30_18^a C33_18^a 1.528(14) . ?
C31_18^a H31A_18 0.9800 . ?
C31_18^a H31B_18 0.9800 . ?
C31_18^a H31C_18 0.9800 . ?
C32_18^a H32A_18 0.9800 . ?
C32_18^a H32B_18 0.9800 . ?
C32_18^a H32C_18 0.9800 . ?
C33_18^a H33A_18 0.9800 . ?
C33_18^a H33B_18 0.9800 . ?
C33_18^a H33C_18 0.9800 . ?
O26_18^b Si27_18^b 1.634(13) . ?
Si27_18^b C28_18^b 1.862(14) . ?
Si27_18^b C29_18^b 1.877(14) . ?
Si27_18^b C30_18^b 1.875(13) . ?
C28_18^b H28D_18 0.9800 . ?
C28_18^b H28E_18 0.9800 . ?
C28_18^b H28F_18 0.9800 . ?
C29_18^b H29D_18 0.9800 . ?
C29_18^b H29E_18 0.9800 . ?
C29_18^b H29F_18 0.9800 . ?
C30_18^b C31_18^b 1.529(14) . ?
C30_18^b C32_18^b 1.547(14) . ?
C30_18^b C33_18^b 1.537(14) . ?
C31_18^b H31D_18 0.9800 . ?
C31_18^b H31E_18 0.9800 . ?
C31_18^b H31F_18 0.9800 . ?
C32_18^b H32D_18 0.9800 . ?
C32_18^b H32E_18 0.9800 . ?
C32_18^b H32F_18 0.9800 . ?
C33_18^b H33D_18 0.9800 . ?
C33_18^b H33E_18 0.9800 . ?
C33_18^b H33F_18 0.9800 . ?
O1_19 C4_19 1.283(12) . ?
N2_19 H2A_19 0.8800 . ?
N2_19 H2B_19 0.8800 . ?
N2_19 C6_19 1.302(15) . ?
N3_19 C4_19 1.351(14) . ?
N3_19 C11_19 1.331(12) . ?
C4_19 N5_19 1.418(15) . ?
N5_19 H5_19 0.8800 . ?
N5_19 C6_19 1.372(13) . ?
C6_19 C7_19 1.385(16) . ?
C7_19 N8_19 1.401(13) . ?
C7_19 C11_19 1.394(15) . ?
N8_19 C9_19 1.332(16) . ?
C9_19 H9_19 0.9500 . ?
C9_19 N10_19 1.371(13) . ?
N10_19 C11_19 1.365(13) . ?
N10_19 C12_19 1.457(10) . ?
C12_19 H12_19 1.0000 . ?
C12_19 O13_19 1.417(9) . ?
C12_19 C16_19 1.546(10) . ?
O13_19 C14_19 1.443(10) . ?
C14_19 H14_19 1.0000 . ?
C14_19 C15_19 1.518(11) . ?
C14_19 C17_19 1.506(10) . ?
C15_19 H15_19 1.0000 . ?
C15_19 C16_19 1.546(10) . ?
C15_19 O26_19 1.406(10) . ?
C16_19 H16A_19 0.9900 . ?
C16_19 H16B_19 0.9900 . ?
C17_19 H17A_19 0.9900 . ?
C17_19 H17B_19 0.9900 . ?
C17_19 H17C_19 0.9900 . ?
C17_19 H17D_19 0.9900 . ?
C17_19 O18_19^a 1.429(13) . ?
C17_19 O18_19^b 1.418(13) . ?
O18_19^a Si19_19^a 1.659(11) . ?
Si19_19^a C20_19^a 1.869(12) . ?
Si19_19^a C21_19^a 1.860(12) . ?
Si19_19^a C22_19^a 1.879(11) . ?
C20_19^a H20A_19 0.9800 . ?
C20_19^a H20B_19 0.9800 . ?
C20_19^a H20C_19 0.9800 . ?
C21_19^a H21A_19 0.9800 . ?
C21_19^a H21B_19 0.9800 . ?
C21_19^a H21C_19 0.9800 . ?
C22_19^a C23_19^a 1.533(13) . ?
C22_19^a C24_19^a 1.538(13) . ?
C22_19^a C25_19^a 1.524(13) . ?
C23_19^a H23A_19 0.9800 . ?
C23_19^a H23B_19 0.9800 . ?
C23_19^a H23C_19 0.9800 . ?
C24_19^a H24A_19 0.9800 . ?
C24_19^a H24B_19 0.9800 . ?
C24_19^a H24C_19 0.9800 . ?
C25_19^a H25A_19 0.9800 . ?
C25_19^a H25B_19 0.9800 . ?
C25_19^a H25C_19 0.9800 . ?
O18_19^b Si19_19^b 1.641(11) . ?
Si19_19^b C20_19^b 1.870(13) . ?
Si19_19^b C21_19^b 1.873(13) . ?
Si19_19^b C22_19^b 1.869(12) . ?
C20_19^b H20D_19 0.9800 . ?
C20_19^b H20E_19 0.9800 . ?
C20_19^b H20F_19 0.9800 . ?
C21_19^b H21D_19 0.9800 . ?
C21_19^b H21E_19 0.9800 . ?
C21_19^b H21F_19 0.9800 . ?
C22_19^b C23_19^b 1.532(14) . ?
C22_19^b C24_19^b 1.550(14) . ?
C22_19^b C25_19^b 1.519(13) . ?
C23_19^b H23D_19 0.9800 . ?
C23_19^b H23E_19 0.9800 . ?
C23_19^b H23F_19 0.9800 . ?
C24_19^b H24D_19 0.9800 . ?
C24_19^b H24E_19 0.9800 . ?
C24_19^b H24F_19 0.9800 . ?
C25_19^b H25D_19 0.9800 . ?
C25_19^b H25E_19 0.9800 . ?
C25_19^b H25F_19 0.9800 . ?
O26_19 Si27_19 1.665(7) . ?
Si27_19 C28_19 1.842(9) . ?
Si27_19 C29_19 1.865(11) . ?
Si27_19 C30_19 1.868(10) . ?
C28_19 H28A_19 0.9800 . ?
C28_19 H28B_19 0.9800 . ?
C28_19 H28C_19 0.9800 . ?
C29_19 H29A_19 0.9800 . ?
C29_19 H29B_19 0.9800 . ?
C29_19 H29C_19 0.9800 . ?
C30_19 C31_19 1.525(12) . ?
C30_19 C32_19 1.533(12) . ?
C30_19 C33_19 1.540(12) . ?
C31_19 H31A_19 0.9800 . ?
C31_19 H31B_19 0.9800 . ?
C31_19 H31C_19 0.9800 . ?
C32_19 H32A_19 0.9800 . ?
C32_19 H32B_19 0.9800 . ?
C32_19 H32C_19 0.9800 . ?
C33_19 H33A_19 0.9800 . ?
C33_19 H33B_19 0.9800 . ?
C33_19 H33C_19 0.9800 . ?
O1_20 C4_20 1.245(12) . ?
N2_20 H2A_20 0.8800 . ?
N2_20 H2B_20 0.8800 . ?
N2_20 C6_20 1.326(12) . ?
N3_20 C4_20 1.338(12) . ?
N3_20 C11_20 1.347(11) . ?
C4_20 N5_20 1.411(12) . ?
N5_20 H5_20 0.8800 . ?
N5_20 C6_20 1.375(12) . ?
C6_20 C7_20 1.376(14) . ?
C7_20 N8_20 1.400(13) . ?
C7_20 C11_20 1.359(12) . ?
N8_20 C9_20 1.331(13) . ?
C9_20 H9_20 0.9500 . ?
C9_20 N10_20 1.376(12) . ?
N10_20 C11_20 1.395(11) . ?
N10_20 C12_20 1.460(9) . ?
C12_20 H12_20 1.0000 . ?
C12_20 O13_20 1.394(9) . ?
C12_20 C16_20 1.518(10) . ?
O13_20 C14_20 1.431(10) . ?
C14_20 H14_20 1.0000 . ?
C14_20 C15_20 1.540(11) . ?
C14_20 C17_20 1.475(11) . ?
C15_20 H15_20 1.0000 . ?
C15_20 C16_20 1.531(10) . ?
C15_20 O26_20 1.397(9) . ?
C16_20 H16A_20 0.9900 . ?
C16_20 H16B_20 0.9900 . ?
C17_20 H17A_20 0.9900 . ?
C17_20 H17B_20 0.9900 . ?
C17_20 H17C_20 0.9900 . ?
C17_20 H17D_20 0.9900 . ?
C17_20 O18_20^a 1.471(12) . ?
C17_20 O18_20^b 1.4231(15) . ?
O18_20^a Si19_20^a 1.676(9) . ?
Si19_20^a C20_20^a 1.882(12) . ?
Si19_20^a C21_20^a 1.857(11) . ?
Si19_20^a C22_20^a 1.863(11) . ?
C20_20^a H20A_20 0.9800 . ?
C20_20^a H20B_20 0.9800 . ?
C20_20^a H20C_20 0.9800 . ?
C21_20^a H21A_20 0.9800 . ?
C21_20^a H21B_20 0.9800 . ?
C21_20^a H21C_20 0.9800 . ?
C22_20^a C23_20^a 1.522(13) . ?
C22_20^a C24_20^a 1.536(12) . ?
C22_20^a C25_20^a 1.536(13) . ?
C23_20^a H23A_20 0.9800 . ?
C23_20^a H23B_20 0.9800 . ?
C23_20^a H23C_20 0.9800 . ?
C24_20^a H24A_20 0.9800 . ?
C24_20^a H24B_20 0.9800 . ?
C24_20^a H24C_20 0.9800 . ?
C25_20^a H25A_20 0.9800 . ?
C25_20^a H25B_20 0.9800 . ?
C25_20^a H25C_20 0.9800 . ?
O18_20^b Si19_20^b 1.6511(15) . ?
Si19_20^b C20_20^b 1.839(13) . ?
Si19_20^b C21_20^b 1.873(13) . ?
Si19_20^b C22_20^b 1.883(13) . ?
C20_20^b H20D_20 0.9800 . ?
C20_20^b H20E_20 0.9800 . ?
C20_20^b H20F_20 0.9800 . ?
C21_20^b H21D_20 0.9800 . ?
C21_20^b H21E_20 0.9800 . ?
C21_20^b H21F_20 0.9800 . ?
C22_20^b C23_20^b 1.524(14) . ?
C22_20^b C24_20^b 1.528(14) . ?
C22_20^b C25_20^b 1.525(14) . ?
C23_20^b H23D_20 0.9800 . ?
C23_20^b H23E_20 0.9800 . ?
C23_20^b H23F_20 0.9800 . ?
C24_20^b H24D_20 0.9800 . ?
C24_20^b H24E_20 0.9800 . ?
C24_20^b H24F_20 0.9800 . ?
C25_20^b H25D_20 0.9800 . ?
C25_20^b H25E_20 0.9800 . ?
C25_20^b H25F_20 0.9800 . ?
O26_20 Si27_20 1.651(8) . ?
Si27_20 C28_20 1.891(11) . ?
Si27_20 C29_20 1.865(11) . ?
Si27_20 C30_20 1.841(10) . ?
C28_20 H28A_20 0.9800 . ?
C28_20 H28B_20 0.9800 . ?
C28_20 H28C_20 0.9800 . ?
C29_20 H29A_20 0.9800 . ?
C29_20 H29B_20 0.9800 . ?
C29_20 H29C_20 0.9800 . ?
C30_20 C31_20 1.527(13) . ?
C30_20 C32_20 1.528(13) . ?
C30_20 C33_20 1.526(13) . ?
C31_20 H31A_20 0.9800 . ?
C31_20 H31B_20 0.9800 . ?
C31_20 H31C_20 0.9800 . ?
C32_20 H32A_20 0.9800 . ?
C32_20 H32B_20 0.9800 . ?
C32_20 H32C_20 0.9800 . ?
C33_20 H33A_20 0.9800 . ?
C33_20 H33B_20 0.9800 . ?
C33_20 H33C_20 0.9800 . ?
O1_21 C4_21 1.273(11) . ?
N2_21 H2A_21 0.8800 . ?
N2_21 H2B_21 0.8800 . ?
N2_21 C6_21 1.351(11) . ?
N3_21 C4_21 1.336(12) . ?
N3_21 C11_21 1.345(11) . ?
C4_21 N5_21 1.413(11) . ?
N5_21 H5_21 0.8800 . ?
N5_21 C6_21 1.338(11) . ?
C6_21 C7_21 1.396(12) . ?
C7_21 N8_21 1.398(11) . ?
C7_21 C11_21 1.393(12) . ?
N8_21 C9_21 1.305(12) . ?
C9_21 H9_21 0.9500 . ?
C9_21 N10_21 1.371(12) . ?
N10_21 C11_21 1.382(11) . ?
N10_21 C12_21 1.468(9) . ?
C12_21 H12_21 1.0000 . ?
C12_21 O13_21 1.425(9) . ?
C12_21 C16_21 1.537(10) . ?
O13_21 C14_21 1.445(9) . ?
C14_21 H14_21 1.0000 . ?
C14_21 C15_21 1.533(10) . ?
C14_21 C17_21 1.502(11) . ?
C15_21 H15_21 1.0000 . ?
C15_21 H15A_21 1.0000 . ?
C15_21 C16_21 1.535(11) . ?
C15_21 O26_21^a 1.434(12) . ?
C15_21 O26_21^b 1.425(13) . ?
C16_21 H16A_21 0.9900 . ?
C16_21 H16B_21 0.9900 . ?
C17_21 H17A_21 0.9900 . ?
C17_21 H17B_21 0.9900 . ?
C17_21 H17C_21 0.9900 . ?
C17_21 H17D_21 0.9900 . ?
C17_21 O18_21^a 1.417(12) . ?
C17_21 O18_21^b 1.429(14) . ?
O18_21^a Si19_21^a 1.657(11) . ?
Si19_21^a C20_21^a 1.861(12) . ?
Si19_21^a C21_21^a 1.859(12) . ?
Si19_21^a C22_21^a 1.881(11) . ?
C20_21^a H20A_21 0.9800 . ?
C20_21^a H20B_21 0.9800 . ?
C20_21^a H20C_21 0.9800 . ?
C21_21^a H21A_21 0.9800 . ?
C21_21^a H21B_21 0.9800 . ?
C21_21^a H21C_21 0.9800 . ?
C22_21^a C23_21^a 1.534(13) . ?
C22_21^a C24_21^a 1.529(13) . ?
C22_21^a C25_21^a 1.540(13) . ?
C23_21^a H23A_21 0.9800 . ?
C23_21^a H23B_21 0.9800 . ?
C23_21^a H23C_21 0.9800 . ?
C24_21^a H24A_21 0.9800 . ?
C24_21^a H24B_21 0.9800 . ?
C24_21^a H24C_21 0.9800 . ?
C25_21^a H25A_21 0.9800 . ?
C25_21^a H25B_21 0.9800 . ?
C25_21^a H25C_21 0.9800 . ?
O18_21^b Si19_21^b 1.643(13) . ?
Si19_21^b C20_21^b 1.859(13) . ?
Si19_21^b C21_21^b 1.881(14) . ?
Si19_21^b C22_21^b 1.878(13) . ?
C20_21^b H20D_21 0.9800 . ?
C20_21^b H20E_21 0.9800 . ?
C20_21^b H20F_21 0.9800 . ?
C21_21^b H21D_21 0.9800 . ?
C21_21^b H21E_21 0.9800 . ?
C21_21^b H21F_21 0.9800 . ?
C22_21^b C23_21^b 1.533(14) . ?
C22_21^b C24_21^b 1.537(14) . ?
C22_21^b C25_21^b 1.533(14) . ?
C23_21^b H23D_21 0.9800 . ?
C23_21^b H23E_21 0.9800 . ?
C23_21^b H23F_21 0.9800 . ?
C24_21^b H24D_21 0.9800 . ?
C24_21^b H24E_21 0.9800 . ?
C24_21^b H24F_21 0.9800 . ?
C25_21^b H25D_21 0.9800 . ?
C25_21^b H25E_21 0.9800 . ?
C25_21^b H25F_21 0.9800 . ?
O26_21^a Si27_21^a 1.647(11) . ?
Si27_21^a C28_21^a 1.863(13) . ?
Si27_21^a C29_21^a 1.856(12) . ?
Si27_21^a C30_21^a 1.884(11) . ?
C28_21^a H28A_21 0.9800 . ?
C28_21^a H28B_21 0.9800 . ?
C28_21^a H28C_21 0.9800 . ?
C29_21^a H29A_21 0.9800 . ?
C29_21^a H29B_21 0.9800 . ?
C29_21^a H29C_21 0.9800 . ?
C30_21^a C31_21^a 1.518(13) . ?
C30_21^a C32_21^a 1.545(14) . ?
C30_21^a C33_21^a 1.532(13) . ?
C31_21^a H31A_21 0.9800 . ?
C31_21^a H31B_21 0.9800 . ?
C31_21^a H31C_21 0.9800 . ?
C32_21^a H32A_21 0.9800 . ?
C32_21^a H32B_21 0.9800 . ?
C32_21^a H32C_21 0.9800 . ?
C33_21^a H33A_21 0.9800 . ?
C33_21^a H33B_21 0.9800 . ?
C33_21^a H33C_21 0.9800 . ?
O26_21^b Si27_21^b 1.654(12) . ?
Si27_21^b C28_21^b 1.865(13) . ?
Si27_21^b C29_21^b 1.887(13) . ?
Si27_21^b C30_21^b 1.854(12) . ?
C28_21^b H28D_21 0.9800 . ?
C28_21^b H28E_21 0.9800 . ?
C28_21^b H28F_21 0.9800 . ?
C29_21^b H29D_21 0.9800 . ?
C29_21^b H29E_21 0.9800 . ?
C29_21^b H29F_21 0.9800 . ?
C30_21^b C31_21^b 1.528(14) . ?
C30_21^b C32_21^b 1.531(14) . ?
C30_21^b C33_21^b 1.556(14) . ?
C31_21^b H31D_21 0.9800 . ?
C31_21^b H31E_21 0.9800 . ?
C31_21^b H31F_21 0.9800 . ?
C32_21^b H32D_21 0.9800 . ?
C32_21^b H32E_21 0.9800 . ?
C32_21^b H32F_21 0.9800 . ?
C33_21^b H33D_21 0.9800 . ?
C33_21^b H33E_21 0.9800 . ?
C33_21^b H33F_21 0.9800 . ?
O1_22 C4_22 1.231(12) . ?
N2_22 H2A_22 0.8800 . ?
N2_22 H2B_22 0.8800 . ?
N2_22 C6_22 1.321(13) . ?
N3_22 C4_22 1.376(12) . ?
N3_22 C11_22 1.346(11) . ?
C4_22 N5_22 1.380(12) . ?
N5_22 H5_22 0.8800 . ?
N5_22 C6_22 1.355(12) . ?
C6_22 C7_22 1.413(13) . ?
C7_22 N8_22 1.386(13) . ?
C7_22 C11_22 1.358(13) . ?
N8_22 C9_22 1.333(13) . ?
C9_22 H9_22 0.9500 . ?
C9_22 N10_22 1.373(12) . ?
N10_22 C11_22 1.385(11) . ?
N10_22 C12_22 1.470(9) . ?
C12_22 H12_22 1.0000 . ?
C12_22 O13_22 1.420(9) . ?
C12_22 C16_22 1.522(10) . ?
O13_22 C14_22 1.447(9) . ?
C14_22 H14_22 1.0000 . ?
C14_22 C15_22 1.534(10) . ?
C14_22 C17_22 1.505(10) . ?
C15_22 H15_22 1.0000 . ?
C15_22 C16_22 1.536(10) . ?
C15_22 O26_22 1.418(9) . ?
C16_22 H16A_22 0.9900 . ?
C16_22 H16B_22 0.9900 . ?
C17_22 H17A_22 0.9900 . ?
C17_22 H17B_22 0.9900 . ?
C17_22 O18_22 1.431(10) . ?
O18_22 Si19_22 1.650(7) . ?
Si19_22 C20_22 1.863(10) . ?
Si19_22 C21_22 1.878(10) . ?
Si19_22 C22_22 1.874(10) . ?
C20_22 H20A_22 0.9800 . ?
C20_22 H20B_22 0.9800 . ?
C20_22 H20C_22 0.9800 . ?
C21_22 H21A_22 0.9800 . ?
C21_22 H21B_22 0.9800 . ?
C21_22 H21C_22 0.9800 . ?
C22_22 C23_22 1.524(12) . ?
C22_22 C24_22 1.538(11) . ?
C22_22 C25_22 1.538(12) . ?
C23_22 H23A_22 0.9800 . ?
C23_22 H23B_22 0.9800 . ?
C23_22 H23C_22 0.9800 . ?
C24_22 H24A_22 0.9800 . ?
C24_22 H24B_22 0.9800 . ?
C24_22 H24C_22 0.9800 . ?
C25_22 H25A_22 0.9800 . ?
C25_22 H25B_22 0.9800 . ?
C25_22 H25C_22 0.9800 . ?
O26_22 Si27_22^a 1.634(10) . ?
O26_22 Si27_22^b 1.649(11) . ?
Si27_22^a C28_22^a 1.868(13) . ?
Si27_22^a C29_22^a 1.866(12) . ?
Si27_22^a C30_22^a 1.873(12) . ?
C28_22^a H28A_22 0.9800 . ?
C28_22^a H28B_22 0.9800 . ?
C28_22^a H28C_22 0.9800 . ?
C29_22^a H29A_22 0.9800 . ?
C29_22^a H29B_22 0.9800 . ?
C29_22^a H29C_22 0.9800 . ?
C30_22^a C31_22^a 1.523(13) . ?
C30_22^a C32_22^a 1.541(13) . ?
C30_22^a C33_22^a 1.539(13) . ?
C31_22^a H31A_22 0.9800 . ?
C31_22^a H31B_22 0.9800 . ?
C31_22^a H31C_22 0.9800 . ?
C32_22^a H32A_22 0.9800 . ?
C32_22^a H32B_22 0.9800 . ?
C32_22^a H32C_22 0.9800 . ?
C33_22^a H33A_22 0.9800 . ?
C33_22^a H33B_22 0.9800 . ?
C33_22^a H33C_22 0.9800 . ?
Si27_22^b C28_22^b 1.864(13) . ?
Si27_22^b C29_22^b 1.867(13) . ?
Si27_22^b C30_22^b 1.883(12) . ?
C28_22^b H28D_22 0.9800 . ?
C28_22^b H28E_22 0.9800 . ?
C28_22^b H28F_22 0.9800 . ?
C29_22^b H29D_22 0.9800 . ?
C29_22^b H29E_22 0.9800 . ?
C29_22^b H29F_22 0.9800 . ?
C30_22^b C31_22^b 1.538(13) . ?
C30_22^b C32_22^b 1.546(13) . ?
C30_22^b C33_22^b 1.541(13) . ?
C31_22^b H31D_22 0.9800 . ?
C31_22^b H31E_22 0.9800 . ?
C31_22^b H31F_22 0.9800 . ?
C32_22^b H32D_22 0.9800 . ?
C32_22^b H32E_22 0.9800 . ?
C32_22^b H32F_22 0.9800 . ?
C33_22^b H33D_22 0.9800 . ?
C33_22^b H33E_22 0.9800 . ?
C33_22^b H33F_22 0.9800 . ?
O1_23 C4_23 1.273(12) . ?
N2_23 H2A_23 0.8800 . ?
N2_23 H2B_23 0.8800 . ?
N2_23 C6_23 1.292(14) . ?
N3_23 C4_23 1.328(14) . ?
N3_23 C11_23 1.341(13) . ?
C4_23 N5_23 1.384(13) . ?
N5_23 H5_23 0.8800 . ?
N5_23 C6_23 1.363(12) . ?
C6_23 C7_23 1.398(16) . ?
C7_23 N8_23 1.401(13) . ?
C7_23 C11_23 1.370(16) . ?
N8_23 C9_23 1.311(18) . ?
C9_23 H9_23 0.9500 . ?
C9_23 N10_23 1.371(14) . ?
N10_23 C11_23 1.387(13) . ?
N10_23 C12_23 1.467(10) . ?
C12_23 H12_23 1.0000 . ?
C12_23 O13_23 1.430(11) . ?
C12_23 C16_23 1.542(12) . ?
O13_23 C14_23 1.426(11) . ?
C14_23 H14_23 1.0000 . ?
C14_23 C15_23 1.538(12) . ?
C14_23 C17_23 1.519(12) . ?
C15_23 H15_23 1.0000 . ?
C15_23 H15A_23 1.0000 . ?
C15_23 C16_23 1.529(11) . ?
C15_23 O26_23^a 1.424(13) . ?
C15_23 O26_23^b 1.408(12) . ?
C16_23 H16A_23 0.9900 . ?
C16_23 H16B_23 0.9900 . ?
C17_23 H17A_23 0.9900 . ?
C17_23 H17B_23 0.9900 . ?
C17_23 O18_23 1.420(13) . ?
O18_23 Si19_23 1.659(10) . ?
Si19_23 C20_23 1.850(12) . ?
Si19_23 C21_23 1.875(13) . ?
Si19_23 C22_23 1.879(12) . ?
C20_23 H20A_23 0.9800 . ?
C20_23 H20B_23 0.9800 . ?
C20_23 H20C_23 0.9800 . ?
C21_23 H21A_23 0.9800 . ?
C21_23 H21B_23 0.9800 . ?
C21_23 H21C_23 0.9800 . ?
C22_23 C23_23 1.542(14) . ?
C22_23 C24_23 1.536(13) . ?
C22_23 C25_23 1.531(13) . ?
C23_23 H23A_23 0.9800 . ?
C23_23 H23B_23 0.9800 . ?
C23_23 H23C_23 0.9800 . ?
C24_23 H24A_23 0.9800 . ?
C24_23 H24B_23 0.9800 . ?
C24_23 H24C_23 0.9800 . ?
C25_23 H25A_23 0.9800 . ?
C25_23 H25B_23 0.9800 . ?
C25_23 H25C_23 0.9800 . ?
O26_23^a Si27_23^a 1.665(12) . ?
Si27_23^a C28_23^a 1.852(13) . ?
Si27_23^a C29_23^a 1.853(13) . ?
Si27_23^a C30_23^a 1.883(12) . ?
C28_23^a H28A_23 0.9800 . ?
C28_23^a H28B_23 0.9800 . ?
C28_23^a H28C_23 0.9800 . ?
C29_23^a H29A_23 0.9800 . ?
C29_23^a H29B_23 0.9800 . ?
C29_23^a H29C_23 0.9800 . ?
C30_23^a C31_23^a 1.537(14) . ?
C30_23^a C32_23^a 1.543(14) . ?
C30_23^a C33_23^a 1.533(14) . ?
C31_23^a H31A_23 0.9800 . ?
C31_23^a H31B_23 0.9800 . ?
C31_23^a H31C_23 0.9800 . ?
C32_23^a H32A_23 0.9800 . ?
C32_23^a H32B_23 0.9800 . ?
C32_23^a H32C_23 0.9800 . ?
C33_23^a H33A_23 0.9800 . ?
C33_23^a H33B_23 0.9800 . ?
C33_23^a H33C_23 0.9800 . ?
O26_23^b Si27_23^b 1.677(11) . ?
Si27_23^b C28_23^b 1.860(12) . ?
Si27_23^b C29_23^b 1.857(13) . ?
Si27_23^b C30_23^b 1.872(12) . ?
C28_23^b H28D_23 0.9800 . ?
C28_23^b H28E_23 0.9800 . ?
C28_23^b H28F_23 0.9800 . ?
C29_23^b H29D_23 0.9800 . ?
C29_23^b H29E_23 0.9800 . ?
C29_23^b H29F_23 0.9800 . ?
C30_23^b C31_23^b 1.530(13) . ?
C30_23^b C32_23^b 1.548(13) . ?
C30_23^b C33_23^b 1.538(13) . ?
C31_23^b H31D_23 0.9800 . ?
C31_23^b H31E_23 0.9800 . ?
C31_23^b H31F_23 0.9800 . ?
C32_23^b H32D_23 0.9800 . ?
C32_23^b H32E_23 0.9800 . ?
C32_23^b H32F_23 0.9800 . ?
C33_23^b H33D_23 0.9800 . ?
C33_23^b H33E_23 0.9800 . ?
C33_23^b H33F_23 0.9800 . ?
O1_24 C4_24 1.230(11) . ?
N2_24 H2A_24 0.8800 . ?
N2_24 H2B_24 0.8800 . ?
N2_24 C6_24 1.313(14) . ?
N3_24 C4_24 1.356(12) . ?
N3_24 C11_24 1.343(14) . ?
C4_24 N5_24 1.419(13) . ?
N5_24 H5_24 0.8800 . ?
N5_24 C6_24 1.342(13) . ?
C6_24 C7_24 1.406(13) . ?
C7_24 N8_24 1.400(13) . ?
C7_24 C11_24 1.358(16) . ?
N8_24 C9_24 1.303(15) . ?
C9_24 H9_24 0.9500 . ?
C9_24 N10_24 1.390(15) . ?
N10_24 C11_24 1.384(11) . ?
N10_24 C12_24 1.458(11) . ?
C12_24 H12_24 1.0000 . ?
C12_24 O13_24 1.414(12) . ?
C12_24 C16_24 1.554(12) . ?
O13_24 C14_24 1.449(11) . ?
C14_24 H14_24 1.0000 . ?
C14_24 C15_24 1.525(12) . ?
C14_24 C17_24 1.503(12) . ?
C15_24 H15A_24 1.0000 . ?
C15_24 H15_24 1.0000 . ?
C15_24 C16_24 1.522(11) . ?
C15_24 O26_24^b 1.416(13) . ?
C15_24 O26_24^a 1.436(13) . ?
C16_24 H16A_24 0.9900 . ?
C16_24 H16B_24 0.9900 . ?
C17_24 H17A_24 0.9900 . ?
C17_24 H17B_24 0.9900 . ?
C17_24 O18_24 1.426(13) . ?
O18_24 Si19_24 1.606(10) . ?
Si19_24 C20_24 1.906(12) . ?
Si19_24 C21_24 1.872(13) . ?
Si19_24 C22_24 1.863(12) . ?
C20_24 H20A_24 0.9800 . ?
C20_24 H20B_24 0.9800 . ?
C20_24 H20C_24 0.9800 . ?
C21_24 H21A_24 0.9800 . ?
C21_24 H21B_24 0.9800 . ?
C21_24 H21C_24 0.9800 . ?
C22_24 C23_24 1.538(13) . ?
C22_24 C24_24 1.521(13) . ?
C22_24 C25_24 1.524(13) . ?
C23_24 H23A_24 0.9800 . ?
C23_24 H23B_24 0.9800 . ?
C23_24 H23C_24 0.9800 . ?
C24_24 H24A_24 0.9800 . ?
C24_24 H24B_24 0.9800 . ?
C24_24 H24C_24 0.9800 . ?
C25_24 H25A_24 0.9800 . ?
C25_24 H25B_24 0.9800 . ?
C25_24 H25C_24 0.9800 . ?
O26_24^b Si27_24^b 1.677(13) . ?
Si27_24^b C28_24^b 1.864(13) . ?
Si27_24^b C29_24^b 1.850(13) . ?
Si27_24^b C30_24^b 1.873(13) . ?
C28_24^b H28A_24 0.9800 . ?
C28_24^b H28B_24 0.9800 . ?
C28_24^b H28C_24 0.9800 . ?
C29_24^b H29A_24 0.9800 . ?
C29_24^b H29B_24 0.9800 . ?
C29_24^b H29C_24 0.9800 . ?
C30_24^b C31_24^b 1.534(14) . ?
C30_24^b C32_24^b 1.550(14) . ?
C30_24^b C33_24^b 1.542(14) . ?
C31_24^b H31A_24 0.9800 . ?
C31_24^b H31B_24 0.9800 . ?
C31_24^b H31C_24 0.9800 . ?
C32_24^b H32A_24 0.9800 . ?
C32_24^b H32B_24 0.9800 . ?
C32_24^b H32C_24 0.9800 . ?
C33_24^b H33A_24 0.9800 . ?
C33_24^b H33B_24 0.9800 . ?
C33_24^b H33C_24 0.9800 . ?
O26_24^a Si27_24^a 1.679(12) . ?
Si27_24^a C28_24^a 1.859(13) . ?
Si27_24^a C29_24^a 1.872(13) . ?
Si27_24^a C30_24^a 1.856(12) . ?
C28_24^a H28D_24 0.9800 . ?
C28_24^a H28E_24 0.9800 . ?
C28_24^a H28F_24 0.9800 . ?
C29_24^a H29D_24 0.9800 . ?
C29_24^a H29E_24 0.9800 . ?
C29_24^a H29F_24 0.9800 . ?
C30_24^a C31_24^a 1.527(14) . ?
C30_24^a C32_24^a 1.537(14) . ?
C30_24^a C33_24^a 1.548(13) . ?
C31_24^a H31D_24 0.9800 . ?
C31_24^a H31E_24 0.9800 . ?
C31_24^a H31F_24 0.9800 . ?
C32_24^a H32D_24 0.9800 . ?
C32_24^a H32E_24 0.9800 . ?
C32_24^a H32F_24 0.9800 . ?
C33_24^a H33D_24 0.9800 . ?
C33_24^a H33E_24 0.9800 . ?
C33_24^a H33F_24 0.9800 . ?
O1_25 C4_25 1.260(12) . ?
N2_25 H2A_25 0.8800 . ?
N2_25 H2B_25 0.8800 . ?
N2_25 C6_25 1.308(12) . ?
N3_25 C4_25 1.356(13) . ?
N3_25 C11_25 1.322(13) . ?
C4_25 N5_25 1.395(11) . ?
N5_25 H5_25 0.8800 . ?
N5_25 C6_25 1.362(12) . ?
C6_25 C7_25 1.398(13) . ?
C7_25 N8_25 1.387(13) . ?
C7_25 C11_25 1.379(13) . ?
N8_25 C9_25 1.314(14) . ?
C9_25 H9_25 0.9500 . ?
C9_25 N10_25 1.371(14) . ?
N10_25 C11_25 1.388(12) . ?
N10_25 C12_25 1.461(10) . ?
C12_25 H12_25 1.0000 . ?
C12_25 O13_25 1.425(10) . ?
C12_25 C16_25 1.553(12) . ?
O13_25 C14_25 1.440(9) . ?
C14_25 H14_25 1.0000 . ?
C14_25 C15_25 1.534(11) . ?
C14_25 C17_25 1.500(11) . ?
C15_25 H15_25 1.0000 . ?
C15_25 H15A_25 1.0000 . ?
C15_25 C16_25 1.514(12) . ?
C15_25 O26_25^a 1.418(10) . ?
C15_25 O26_25^b 1.473(13) . ?
C16_25 H16A_25 0.9900 . ?
C16_25 H16B_25 0.9900 . ?
C17_25 H17A_25 0.9900 . ?
C17_25 H17B_25 0.9900 . ?
C17_25 H17C_25 0.9900 . ?
C17_25 H17D_25 0.9900 . ?
C17_25 O18_25^a 1.412(12) . ?
C17_25 O18_25^b 1.427(13) . ?
O18_25^a Si19_25^a 1.644(11) . ?
Si19_25^a C20_25^a 1.914(12) . ?
Si19_25^a C21_25^a 1.861(12) . ?
Si19_25^a C22_25^a 1.848(12) . ?
C20_25^a H20A_25 0.9800 . ?
C20_25^a H20B_25 0.9800 . ?
C20_25^a H20C_25 0.9800 . ?
C21_25^a H21A_25 0.9800 . ?
C21_25^a H21B_25 0.9800 . ?
C21_25^a H21C_25 0.9800 . ?
C22_25^a C23_25^a 1.528(13) . ?
C22_25^a C24_25^a 1.531(13) . ?
C22_25^a C25_25^a 1.522(13) . ?
C23_25^a H23A_25 0.9800 . ?
C23_25^a H23B_25 0.9800 . ?
C23_25^a H23C_25 0.9800 . ?
C24_25^a H24A_25 0.9800 . ?
C24_25^a H24B_25 0.9800 . ?
C24_25^a H24C_25 0.9800 . ?
C25_25^a H25A_25 0.9800 . ?
C25_25^a H25B_25 0.9800 . ?
C25_25^a H25C_25 0.9800 . ?
O18_25^b Si19_25^b 1.643(13) . ?
Si19_25^b C20_25^b 1.859(13) . ?
Si19_25^b C21_25^b 1.859(13) . ?
Si19_25^b C22_25^b 1.890(13) . ?
C20_25^b H20D_25 0.9800 . ?
C20_25^b H20E_25 0.9800 . ?
C20_25^b H20F_25 0.9800 . ?
C21_25^b H21D_25 0.9800 . ?
C21_25^b H21E_25 0.9800 . ?
C21_25^b H21F_25 0.9800 . ?
C22_25^b C23_25^b 1.548(14) . ?
C22_25^b C24_25^b 1.524(13) . ?
C22_25^b C25_25^b 1.536(13) . ?
C23_25^b H23D_25 0.9800 . ?
C23_25^b H23E_25 0.9800 . ?
C23_25^b H23F_25 0.9800 . ?
C24_25^b H24D_25 0.9800 . ?
C24_25^b H24E_25 0.9800 . ?
C24_25^b H24F_25 0.9800 . ?
C25_25^b H25D_25 0.9800 . ?
C25_25^b H25E_25 0.9800 . ?
C25_25^b H25F_25 0.9800 . ?
O26_25^a Si27_25^a 1.661(10) . ?
Si27_25^a C28_25^a 1.880(12) . ?
Si27_25^a C29_25^a 1.859(12) . ?
Si27_25^a C30_25^a 1.862(12) . ?
C28_25^a H28A_25 0.9800 . ?
C28_25^a H28B_25 0.9800 . ?
C28_25^a H28C_25 0.9800 . ?
C29_25^a H29A_25 0.9800 . ?
C29_25^a H29B_25 0.9800 . ?
C29_25^a H29C_25 0.9800 . ?
C30_25^a C31_25^a 1.529(13) . ?
C30_25^a C32_25^a 1.552(13) . ?
C30_25^a C33_25^a 1.542(13) . ?
C31_25^a H31A_25 0.9800 . ?
C31_25^a H31B_25 0.9800 . ?
C31_25^a H31C_25 0.9800 . ?
C32_25^a H32A_25 0.9800 . ?
C32_25^a H32B_25 0.9800 . ?
C32_25^a H32C_25 0.9800 . ?
C33_25^a H33A_25 0.9800 . ?
C33_25^a H33B_25 0.9800 . ?
C33_25^a H33C_25 0.9800 . ?
O26_25^b Si27_25^b 1.646(13) . ?
Si27_25^b C28_25^b 1.844(13) . ?
Si27_25^b C29_25^b 1.879(13) . ?
Si27_25^b C30_25^b 1.883(13) . ?
C28_25^b H28D_25 0.9800 . ?
C28_25^b H28E_25 0.9800 . ?
C28_25^b H28F_25 0.9800 . ?
C29_25^b H29D_25 0.9800 . ?
C29_25^b H29E_25 0.9800 . ?
C29_25^b H29F_25 0.9800 . ?
C30_25^b C31_25^b 1.526(14) . ?
C30_25^b C32_25^b 1.553(14) . ?
C30_25^b C33_25^b 1.535(14) . ?
C31_25^b H31D_25 0.9800 . ?
C31_25^b H31E_25 0.9800 . ?
C31_25^b H31F_25 0.9800 . ?
C32_25^b H32D_25 0.9800 . ?
C32_25^b H32E_25 0.9800 . ?
C32_25^b H32F_25 0.9800 . ?
C33_25^b H33D_25 0.9800 . ?
C33_25^b H33E_25 0.9800 . ?
C33_25^b H33F_25 0.9800 . ?
O1_26 C4_26 1.230(12) . ?
N2_26 H2A_26 0.8800 . ?
N2_26 H2B_26 0.8800 . ?
N2_26 C6_26 1.329(14) . ?
N3_26 C4_26 1.349(13) . ?
N3_26 C11_26 1.341(13) . ?
C4_26 N5_26 1.402(13) . ?
N5_26 H5_26 0.8800 . ?
N5_26 C6_26 1.358(13) . ?
C6_26 C7_26 1.403(15) . ?
C7_26 N8_26 1.390(14) . ?
C7_26 C11_26 1.340(15) . ?
N8_26 C9_26 1.314(16) . ?
C9_26 H9_26 0.9500 . ?
C9_26 N10_26 1.383(13) . ?
N10_26 C11_26 1.392(13) . ?
N10_26 C12_26 1.459(10) . ?
C12_26 H12_26 1.0000 . ?
C12_26 O13_26 1.427(10) . ?
C12_26 C16_26 1.535(11) . ?
O13_26 C14_26 1.449(11) . ?
C14_26 H14_26 1.0000 . ?
C14_26 C15_26 1.530(12) . ?
C14_26 C17_26 1.510(12) . ?
C15_26 H15_26 1.0000 . ?
C15_26 C16_26 1.529(11) . ?
C15_26 O26_26 1.424(10) . ?
C16_26 H16A_26 0.9900 . ?
C16_26 H16B_26 0.9900 . ?
C17_26 H17A_26 0.9900 . ?
C17_26 H17B_26 0.9900 . ?
C17_26 O18_26 1.383(12) . ?
O18_26 Si19_26 1.622(9) . ?
Si19_26 C20_26 1.864(11) . ?
Si19_26 C21_26 1.905(12) . ?
Si19_26 C22_26 1.845(11) . ?
C20_26 H20A_26 0.9800 . ?
C20_26 H20B_26 0.9800 . ?
C20_26 H20C_26 0.9800 . ?
C21_26 H21A_26 0.9800 . ?
C21_26 H21B_26 0.9800 . ?
C21_26 H21C_26 0.9800 . ?
C22_26 C23_26 1.519(13) . ?
C22_26 C24_26 1.536(13) . ?
C22_26 C25_26 1.542(13) . ?
C23_26 H23A_26 0.9800 . ?
C23_26 H23B_26 0.9800 . ?
C23_26 H23C_26 0.9800 . ?
C24_26 H24A_26 0.9800 . ?
C24_26 H24B_26 0.9800 . ?
C24_26 H24C_26 0.9800 . ?
C25_26 H25A_26 0.9800 . ?
C25_26 H25B_26 0.9800 . ?
C25_26 H25C_26 0.9800 . ?
O26_26 Si27_26 1.669(9) . ?
Si27_26 C28_26 1.870(12) . ?
Si27_26 C29_26 1.877(12) . ?
Si27_26 C30_26 1.849(11) . ?
C28_26 H28A_26 0.9800 . ?
C28_26 H28B_26 0.9800 . ?
C28_26 H28C_26 0.9800 . ?
C29_26 H29A_26 0.9800 . ?
C29_26 H29B_26 0.9800 . ?
C29_26 H29C_26 0.9800 . ?
C30_26 C31_26 1.537(13) . ?
C30_26 C32_26 1.536(13) . ?
C30_26 C33_26 1.544(13) . ?
C31_26 H31A_26 0.9800 . ?
C31_26 H31B_26 0.9800 . ?
C31_26 H31C_26 0.9800 . ?
C32_26 H32A_26 0.9800 . ?
C32_26 H32B_26 0.9800 . ?
C32_26 H32C_26 0.9800 . ?
C33_26 H33A_26 0.9800 . ?
C33_26 H33B_26 0.9800 . ?
C33_26 H33C_26 0.9800 . ?
O1_27 C4_27 1.262(12) . ?
N2_27 H2A_27 0.8800 . ?
N2_27 H2B_27 0.8800 . ?
N2_27 C6_27 1.366(16) . ?
N3_27 C4_27 1.326(13) . ?
N3_27 C11_27 1.350(12) . ?
C4_27 N5_27 1.369(13) . ?
N5_27 H5_27 0.8800 . ?
N5_27 C6_27 1.358(14) . ?
C6_27 C7_27 1.348(17) . ?
C7_27 N8_27 1.437(17) . ?
C7_27 C11_27 1.350(15) . ?
N8_27 C9_27 1.274(19) . ?
C9_27 H9_27 0.9500 . ?
C9_27 N10_27 1.378(16) . ?
N10_27 C11_27 1.378(13) . ?
N10_27 C12_27 1.442(10) . ?
C12_27 H12_27 1.0000 . ?
C12_27 O13_27 1.404(11) . ?
C12_27 C16_27 1.543(10) . ?
O13_27 C14_27^a 1.443(13) . ?
O13_27 C14_27^b 1.438(12) . ?
C14_27^a H14_27 1.0000 . ?
C14_27^a C15_27 1.551(13) . ?
C14_27^a C17_27^a 1.506(14) . ?
C14_27^b H14A_27 1.0000 . ?
C14_27^b C15_27 1.502(12) . ?
C14_27^b C17_27^b 1.520(13) . ?
C15_27 H15_27 1.0000 . ?
C15_27 H15A_27 1.0000 . ?
C15_27 C16_27 1.523(12) . ?
C15_27 O26_27 1.416(11) . ?
C16_27 H16A_27 0.9900 . ?
C16_27 H16B_27 0.9900 . ?
C17_27^a H17A_27 0.9900 . ?
C17_27^a H17B_27 0.9900 . ?
C17_27^a O18_27^a 1.419(14) . ?
O18_27^a Si19_27^a 1.642(13) . ?
Si19_27^a C20_27^a 1.862(13) . ?
Si19_27^a C21_27^a 1.871(14) . ?
Si19_27^a C22_27^a 1.885(13) . ?
C20_27^a H20A_27 0.9800 . ?
C20_27^a H20B_27 0.9800 . ?
C20_27^a H20C_27 0.9800 . ?
C21_27^a H21A_27 0.9800 . ?
C21_27^a H21B_27 0.9800 . ?
C21_27^a H21C_27 0.9800 . ?
C22_27^a C23_27^a 1.530(14) . ?
C22_27^a C24_27^a 1.536(14) . ?
C22_27^a C25_27^a 1.526(14) . ?
C23_27^a H23A_27 0.9800 . ?
C23_27^a H23B_27 0.9800 . ?
C23_27^a H23C_27 0.9800 . ?
C24_27^a H24A_27 0.9800 . ?
C24_27^a H24B_27 0.9800 . ?
C24_27^a H24C_27 0.9800 . ?
C25_27^a H25A_27 0.9800 . ?
C25_27^a H25B_27 0.9800 . ?
C25_27^a H25C_27 0.9800 . ?
C17_27^b H17C_27 0.9900 . ?
C17_27^b H17D_27 0.9900 . ?
C17_27^b O18_27^b 1.411(14) . ?
O18_27^b Si19_27^b 1.650(12) . ?
Si19_27^b C20_27^b 1.846(13) . ?
Si19_27^b C21_27^b 1.859(13) . ?
Si19_27^b C22_27^b 1.882(13) . ?
C20_27^b H20D_27 0.9800 . ?
C20_27^b H20E_27 0.9800 . ?
C20_27^b H20F_27 0.9800 . ?
C21_27^b H21D_27 0.9800 . ?
C21_27^b H21E_27 0.9800 . ?
C21_27^b H21F_27 0.9800 . ?
C22_27^b C23_27^b 1.551(14) . ?
C22_27^b C24_27^b 1.526(14) . ?
C22_27^b C25_27^b 1.528(14) . ?
C23_27^b H23D_27 0.9800 . ?
C23_27^b H23E_27 0.9800 . ?
C23_27^b H23F_27 0.9800 . ?
C24_27^b H24D_27 0.9800 . ?
C24_27^b H24E_27 0.9800 . ?
C24_27^b H24F_27 0.9800 . ?
C25_27^b H25D_27 0.9800 . ?
C25_27^b H25E_27 0.9800 . ?
C25_27^b H25F_27 0.9800 . ?
O26_27 Si27_27 1.659(9) . ?
Si27_27 C28_27 1.873(12) . ?
Si27_27 C29_27 1.843(12) . ?
Si27_27 C30_27 1.863(10) . ?
C28_27 H28A_27 0.9800 . ?
C28_27 H28B_27 0.9800 . ?
C28_27 H28C_27 0.9800 . ?
C29_27 H29A_27 0.9800 . ?
C29_27 H29B_27 0.9800 . ?
C29_27 H29C_27 0.9800 . ?
C30_27 C31_27 1.527(13) . ?
C30_27 C32_27 1.538(13) . ?
C30_27 C33_27 1.540(12) . ?
C31_27 H31A_27 0.9800 . ?
C31_27 H31B_27 0.9800 . ?
C31_27 H31C_27 0.9800 . ?
C32_27 H32A_27 0.9800 . ?
C32_27 H32B_27 0.9800 . ?
C32_27 H32C_27 0.9800 . ?
C33_27 H33A_27 0.9800 . ?
C33_27 H33B_27 0.9800 . ?
C33_27 H33C_27 0.9800 . ?
O1_28 C4_28 1.270(12) . ?
N2_28 H2A_28 0.8800 . ?
N2_28 H2B_28 0.8800 . ?
N2_28 C6_28 1.312(13) . ?
N3_28 C4_28 1.322(13) . ?
N3_28 C11_28 1.357(12) . ?
C4_28 N5_28 1.399(13) . ?
N5_28 H5_28 0.8800 . ?
N5_28 C6_28 1.381(12) . ?
C6_28 C7_28 1.396(14) . ?
C7_28 N8_28 1.385(13) . ?
C7_28 C11_28 1.362(14) . ?
N8_28 C9_28 1.291(15) . ?
C9_28 H9_28 0.9500 . ?
C9_28 N10_28 1.396(13) . ?
N10_28 C11_28 1.385(12) . ?
N10_28 C12_28 1.448(10) . ?
C12_28 H12_28 1.0000 . ?
C12_28 O13_28 1.415(9) . ?
C12_28 C16_28 1.544(11) . ?
O13_28 C14_28 1.443(10) . ?
C14_28 H14_28 1.0000 . ?
C14_28 C15_28 1.521(11) . ?
C14_28 C17_28 1.495(11) . ?
C15_28 H15_28 1.0000 . ?
C15_28 C16_28 1.542(11) . ?
C15_28 O26_28 1.407(10) . ?
C16_28 H16A_28 0.9900 . ?
C16_28 H16B_28 0.9900 . ?
C17_28 H17A_28 0.9900 . ?
C17_28 H17B_28 0.9900 . ?
C17_28 O18_28 1.411(12) . ?
O18_28 Si19_28 1.630(9) . ?
Si19_28 C20_28 1.862(12) . ?
Si19_28 C21_28 1.883(12) . ?
Si19_28 C22_28 1.857(12) . ?
C20_28 H20A_28 0.9800 . ?
C20_28 H20B_28 0.9800 . ?
C20_28 H20C_28 0.9800 . ?
C21_28 H21A_28 0.9800 . ?
C21_28 H21B_28 0.9800 . ?
C21_28 H21C_28 0.9800 . ?
C22_28 C23_28 1.530(13) . ?
C22_28 C24_28 1.547(13) . ?
C22_28 C25_28 1.531(13) . ?
C23_28 H23A_28 0.9800 . ?
C23_28 H23B_28 0.9800 . ?
C23_28 H23C_28 0.9800 . ?
C24_28 H24A_28 0.9800 . ?
C24_28 H24B_28 0.9800 . ?
C24_28 H24C_28 0.9800 . ?
C25_28 H25A_28 0.9800 . ?
C25_28 H25B_28 0.9800 . ?
C25_28 H25C_28 0.9800 . ?
O26_28 Si27_28 1.712(10) . ?
Si27_28 C28_28 1.844(12) . ?
Si27_28 C29_28 1.849(12) . ?
Si27_28 C30_28 1.876(11) . ?
C28_28 H28A_28 0.9800 . ?
C28_28 H28B_28 0.9800 . ?
C28_28 H28C_28 0.9800 . ?
C29_28 H29A_28 0.9800 . ?
C29_28 H29B_28 0.9800 . ?
C29_28 H29C_28 0.9800 . ?
C30_28 C31_28 1.531(13) . ?
C30_28 C32_28 1.529(13) . ?
C30_28 C33_28 1.545(13) . ?
C31_28 H31A_28 0.9800 . ?
C31_28 H31B_28 0.9800 . ?
C31_28 H31C_28 0.9800 . ?
C32_28 H32A_28 0.9800 . ?
C32_28 H32B_28 0.9800 . ?
C32_28 H32C_28 0.9800 . ?
C33_28 H33A_28 0.9800 . ?
C33_28 H33B_28 0.9800 . ?
C33_28 H33C_28 0.9800 . ?
O1_29 C4_29 1.243(12) . ?
N2_29 H2A_29 0.8800 . ?
N2_29 H2B_29 0.8800 . ?
N2_29 C6_29 1.368(13) . ?
N3_29 C4_29 1.362(13) . ?
N3_29 C11_29 1.338(13) . ?
C4_29 N5_29 1.403(14) . ?
N5_29 H5_29 0.8800 . ?
N5_29 C6_29 1.340(13) . ?
C6_29 C7_29 1.368(15) . ?
C7_29 N8_29 1.387(13) . ?
C7_29 C11_29 1.372(15) . ?
N8_29 C9_29 1.319(16) . ?
C9_29 H9_29 0.9500 . ?
C9_29 N10_29 1.356(14) . ?
N10_29 C11_29 1.397(13) . ?
N10_29 C12_29 1.460(10) . ?
C12_29 H12_29 1.0000 . ?
C12_29 O13_29 1.412(10) . ?
C12_29 C16_29 1.535(10) . ?
O13_29 C14_29 1.444(10) . ?
C14_29 H14_29 1.0000 . ?
C14_29 C15_29 1.519(11) . ?
C14_29 C17_29 1.505(12) . ?
C15_29 H15_29 1.0000 . ?
C15_29 C16_29 1.548(12) . ?
C15_29 O26_29 1.422(10) . ?
C16_29 H16A_29 0.9900 . ?
C16_29 H16B_29 0.9900 . ?
C17_29 H17A_29 0.9900 . ?
C17_29 H17B_29 0.9900 . ?
C17_29 O18_29 1.415(11) . ?
O18_29 Si19_29 1.687(9) . ?
Si19_29 C20_29 1.869(12) . ?
Si19_29 C21_29 1.863(11) . ?
Si19_29 C22_29 1.870(12) . ?
C20_29 H20A_29 0.9800 . ?
C20_29 H20B_29 0.9800 . ?
C20_29 H20C_29 0.9800 . ?
C21_29 H21A_29 0.9800 . ?
C21_29 H21B_29 0.9800 . ?
C21_29 H21C_29 0.9800 . ?
C22_29 C23_29 1.520(13) . ?
C22_29 C24_29 1.547(13) . ?
C22_29 C25_29 1.549(13) . ?
C23_29 H23A_29 0.9800 . ?
C23_29 H23B_29 0.9800 . ?
C23_29 H23C_29 0.9800 . ?
C24_29 H24A_29 0.9800 . ?
C24_29 H24B_29 0.9800 . ?
C24_29 H24C_29 0.9800 . ?
C25_29 H25A_29 0.9800 . ?
C25_29 H25B_29 0.9800 . ?
C25_29 H25C_29 0.9800 . ?
O26_29 Si27_29 1.667(8) . ?
Si27_29 C28_29 1.865(12) . ?
Si27_29 C29_29 1.854(12) . ?
Si27_29 C30_29 1.874(10) . ?
C28_29 H28A_29 0.9800 . ?
C28_29 H28B_29 0.9800 . ?
C28_29 H28C_29 0.9800 . ?
C29_29 H29A_29 0.9800 . ?
C29_29 H29B_29 0.9800 . ?
C29_29 H29C_29 0.9800 . ?
C30_29 C31_29 1.512(13) . ?
C30_29 C32_29 1.541(13) . ?
C30_29 C33_29 1.536(13) . ?
C31_29 H31A_29 0.9800 . ?
C31_29 H31B_29 0.9800 . ?
C31_29 H31C_29 0.9800 . ?
C32_29 H32A_29 0.9800 . ?
C32_29 H32B_29 0.9800 . ?
C32_29 H32C_29 0.9800 . ?
C33_29 H33A_29 0.9800 . ?
C33_29 H33B_29 0.9800 . ?
C33_29 H33C_29 0.9800 . ?
O1_30 C4_30 1.244(12) . ?
N2_30 H2A_30 0.8800 . ?
N2_30 H2B_30 0.8800 . ?
N2_30 C6_30 1.342(16) . ?
N3_30 C4_30 1.353(13) . ?
N3_30 C11_30 1.336(14) . ?
C4_30 N5_30 1.380(14) . ?
N5_30 H5_30 0.8800 . ?
N5_30 C6_30 1.363(14) . ?
C6_30 C7_30 1.385(16) . ?
C7_30 N8_30 1.392(15) . ?
C7_30 C11_30 1.318(17) . ?
N8_30 C9_30 1.272(19) . ?
C9_30 H9_30 0.9500 . ?
C9_30 N10_30 1.366(17) . ?
N10_30 C11_30 1.413(13) . ?
N10_30 C12_30 1.438(11) . ?
C12_30 H12_30 1.0000 . ?
C12_30 O13_30 1.413(11) . ?
C12_30 C16_30 1.527(11) . ?
O13_30 C14_30 1.435(10) . ?
C14_30 H14_30 1.0000 . ?
C14_30 C15_30 1.528(11) . ?
C14_30 C17_30 1.502(12) . ?
C15_30 H15_30 1.0000 . ?
C15_30 H15A_30 1.0000 . ?
C15_30 C16_30 1.530(12) . ?
C15_30 O26_30^a 1.391(11) . ?
C15_30 O26_30^b 1.449(13) . ?
C16_30 H16A_30 0.9900 . ?
C16_30 H16B_30 0.9900 . ?
C17_30 H17A_30 0.9900 . ?
C17_30 H17B_30 0.9900 . ?
C17_30 O18_30 1.418(12) . ?
O18_30 Si19_30 1.638(10) . ?
Si19_30 C20_30 1.879(11) . ?
Si19_30 C21_30 1.855(12) . ?
Si19_30 C22_30 1.875(11) . ?
C20_30 H20A_30 0.9800 . ?
C20_30 H20B_30 0.9800 . ?
C20_30 H20C_30 0.9800 . ?
C21_30 H21A_30 0.9800 . ?
C21_30 H21B_30 0.9800 . ?
C21_30 H21C_30 0.9800 . ?
C22_30 C23_30 1.540(13) . ?
C22_30 C24_30 1.525(13) . ?
C22_30 C25_30 1.531(13) . ?
C23_30 H23A_30 0.9800 . ?
C23_30 H23B_30 0.9800 . ?
C23_30 H23C_30 0.9800 . ?
C24_30 H24A_30 0.9800 . ?
C24_30 H24B_30 0.9800 . ?
C24_30 H24C_30 0.9800 . ?
C25_30 H25A_30 0.9800 . ?
C25_30 H25B_30 0.9800 . ?
C25_30 H25C_30 0.9800 . ?
O26_30^a Si27_30^a 1.658(10) . ?
Si27_30^a C28_30^a 1.856(12) . ?
Si27_30^a C29_30^a 1.865(12) . ?
Si27_30^a C30_30^a 1.880(11) . ?
C28_30^a H28A_30 0.9800 . ?
C28_30^a H28B_30 0.9800 . ?
C28_30^a H28C_30 0.9800 . ?
C29_30^a H29A_30 0.9800 . ?
C29_30^a H29B_30 0.9800 . ?
C29_30^a H29C_30 0.9800 . ?
C30_30^a C31_30^a 1.523(13) . ?
C30_30^a C32_30^a 1.539(13) . ?
C30_30^a C33_30^a 1.533(13) . ?
C31_30^a H31A_30 0.9800 . ?
C31_30^a H31B_30 0.9800 . ?
C31_30^a H31C_30 0.9800 . ?
C32_30^a H32A_30 0.9800 . ?
C32_30^a H32B_30 0.9800 . ?
C32_30^a H32C_30 0.9800 . ?
C33_30^a H33A_30 0.9800 . ?
C33_30^a H33B_30 0.9800 . ?
C33_30^a H33C_30 0.9800 . ?
O26_30^b Si27_30^b 1.674(12) . ?
Si27_30^b C28_30^b 1.860(13) . ?
Si27_30^b C29_30^b 1.850(13) . ?
Si27_30^b C30_30^b 1.881(13) . ?
C28_30^b H28D_30 0.9800 . ?
C28_30^b H28E_30 0.9800 . ?
C28_30^b H28F_30 0.9800 . ?
C29_30^b H29D_30 0.9800 . ?
C29_30^b H29E_30 0.9800 . ?
C29_30^b H29F_30 0.9800 . ?
C30_30^b C31_30^b 1.544(14) . ?
C30_30^b C32_30^b 1.542(14) . ?
C30_30^b C33_30^b 1.524(13) . ?
C31_30^b H31D_30 0.9800 . ?
C31_30^b H31E_30 0.9800 . ?
C31_30^b H31F_30 0.9800 . ?
C32_30^b H32D_30 0.9800 . ?
C32_30^b H32E_30 0.9800 . ?
C32_30^b H32F_30 0.9800 . ?
C33_30^b H33D_30 0.9800 . ?
C33_30^b H33E_30 0.9800 . ?
C33_30^b H33F_30 0.9800 . ?
B1_41 C2_41 1.647(11) . ?
B1_41 C16_41 1.625(11) . ?
B1_41 C30_41 1.637(11) . ?
B1_41 C44_41 1.656(12) . ?
C2_41 C3_41 1.402(12) . ?
C2_41 C7_41 1.401(12) . ?
C3_41 H3_41 0.9500 . ?
C3_41 C4_41 1.374(13) . ?
C4_41 C5_41 1.389(13) . ?
C4_41 C8_41 1.494(12) . ?
C5_41 H5_41 0.9500 . ?
C5_41 C6_41 1.368(13) . ?
C6_41 C7_41 1.401(12) . ?
C6_41 C12_41 1.492(12) . ?
C7_41 H7_41 0.9500 . ?
C8_41 F9_41 1.339(14) . ?
C8_41 F10_41 1.335(14) . ?
C8_41 F11_41 1.327(13) . ?
C12_41 F13_41 1.354(13) . ?
C12_41 F14_41 1.352(12) . ?
C12_41 F15_41 1.333(13) . ?
C16_41 C17_41 1.395(12) . ?
C16_41 C21_41 1.398(12) . ?
C17_41 H17_41 0.9500 . ?
C17_41 C18_41 1.383(12) . ?
C18_41 C19_41 1.383(12) . ?
C18_41 C22_41 1.487(12) . ?
C19_41 H19_41 0.9500 . ?
C19_41 C20_41 1.383(12) . ?
C20_41 C21_41 1.377(12) . ?
C20_41 C26_41 1.499(12) . ?
C21_41 H21_41 0.9500 . ?
C22_41 F23_41 1.316(13) . ?
C22_41 F24_41 1.344(13) . ?
C22_41 F25_41 1.331(13) . ?
C26_41 F27_41 1.336(13) . ?
C26_41 F28_41 1.346(14) . ?
C26_41 F29_41 1.333(13) . ?
C30_41 C31_41 1.394(12) . ?
C30_41 C35_41 1.418(12) . ?
C31_41 H31_41 0.9500 . ?
C31_41 C32_41 1.394(12) . ?
C32_41 C33_41 1.390(12) . ?
C32_41 C36_41 1.494(12) . ?
C33_41 H33_41 0.9500 . ?
C33_41 C34_41 1.391(12) . ?
C34_41 C35_41 1.396(12) . ?
C34_41 C40_41 1.498(12) . ?
C35_41 H35_41 0.9500 . ?
C36_41 F37_41 1.327(13) . ?
C36_41 F38_41 1.326(13) . ?
C36_41 F39_41 1.341(13) . ?
C40_41 F41_41 1.330(13) . ?
C40_41 F42_41 1.344(13) . ?
C40_41 F43_41 1.323(13) . ?
C44_41 C45_41 1.401(12) . ?
C44_41 C49_41 1.391(12) . ?
C45_41 H45_41 0.9500 . ?
C45_41 C46_41 1.373(12) . ?
C46_41 C47_41 1.391(12) . ?
C46_41 C50_41 1.489(12) . ?
C47_41 H47_41 0.9500 . ?
C47_41 C48_41 1.385(13) . ?
C48_41 C49_41 1.395(13) . ?
C48_41 C54_41 1.491(12) . ?
C49_41 H49_41 0.9500 . ?
C50_41 F51_41 1.338(13) . ?
C50_41 F52_41 1.330(13) . ?
C50_41 F53_41 1.338(13) . ?
C54_41 F55_41 1.324(13) . ?
C54_41 F56_41 1.325(13) . ?
C54_41 F57_41 1.331(13) . ?
B1_42 C2_42 1.636(11) . ?
B1_42 C16_42 1.643(11) . ?
B1_42 C30_42 1.626(11) . ?
B1_42 C44_42 1.640(11) . ?
C2_42 C3_42 1.401(11) . ?
C2_42 C7_42 1.411(11) . ?
C3_42 H3_42 0.9500 . ?
C3_42 C4_42 1.387(11) . ?
C4_42 C5_42 1.378(11) . ?
C4_42 C8_42 1.495(11) . ?
C5_42 H5_42 0.9500 . ?
C5_42 C6_42 1.372(11) . ?
C6_42 C7_42 1.376(11) . ?
C6_42 C12_42 1.488(11) . ?
C7_42 H7_42 0.9500 . ?
C8_42 F9_42 1.332(12) . ?
C8_42 F10_42 1.330(12) . ?
C8_42 F11_42 1.318(12) . ?
C12_42 F13_42 1.320(12) . ?
C12_42 F14_42 1.335(12) . ?
C12_42 F15_42 1.337(12) . ?
C16_42 C17_42 1.393(11) . ?
C16_42 C21_42 1.395(11) . ?
C17_42 H17_42 0.9500 . ?
C17_42 C18_42 1.378(11) . ?
C18_42 C19_42 1.376(11) . ?
C18_42 C22_42 1.491(11) . ?
C19_42 H19_42 0.9500 . ?
C19_42 C20_42 1.378(12) . ?
C20_42 C21_42 1.396(12) . ?
C20_42 C26_42 1.487(12) . ?
C21_42 H21_42 0.9500 . ?
C22_42 F23_42 1.325(11) . ?
C22_42 F24_42 1.351(12) . ?
C22_42 F25_42 1.342(12) . ?
C26_42 F27_42 1.337(13) . ?
C26_42 F28_42 1.332(13) . ?
C26_42 F29_42 1.324(13) . ?
C30_42 C31_42 1.418(11) . ?
C30_42 C35_42 1.405(11) . ?
C31_42 H31_42 0.9500 . ?
C31_42 C32_42 1.384(11) . ?
C32_42 C33_42 1.388(12) . ?
C32_42 C36_42 1.496(11) . ?
C33_42 H33_42 0.9500 . ?
C33_42 C34_42 1.390(12) . ?
C34_42 C35_42 1.374(12) . ?
C34_42 C40_42 1.484(12) . ?
C35_42 H35_42 0.9500 . ?
C36_42 F37_42 1.331(12) . ?
C36_42 F38_42 1.319(12) . ?
C36_42 F39_42 1.335(12) . ?
C40_42 F41_42 1.320(13) . ?
C40_42 F42_42 1.317(13) . ?
C40_42 F43_42 1.350(13) . ?
C44_42 C45_42 1.402(12) . ?
C44_42 C49_42 1.382(12) . ?
C45_42 H45_42 0.9500 . ?
C45_42 C46_42 1.380(12) . ?
C46_42 C47_42 1.374(12) . ?
C46_42 C50_42 1.491(12) . ?
C47_42 H47_42 0.9500 . ?
C47_42 C48_42 1.383(12) . ?
C48_42 C49_42 1.370(11) . ?
C48_42 C54_42 1.487(12) . ?
C49_42 H49_42 0.9500 . ?
C50_42 F51_42 1.322(12) . ?
C50_42 F52_42 1.337(12) . ?
C50_42 F53_42 1.344(13) . ?
C54_42 F55_42 1.313(12) . ?
C54_42 F56_42 1.318(13) . ?
C54_42 F57_42 1.333(13) . ?
B1_43 C2_43 1.651(12) . ?
B1_43 C16_43 1.640(12) . ?
B1_43 C30_43 1.633(12) . ?
B1_43 C44_43 1.657(12) . ?
C2_43 C3_43 1.395(13) . ?
C2_43 C7_43 1.411(13) . ?
C3_43 H3_43 0.9500 . ?
C3_43 C4_43 1.395(13) . ?
C4_43 C5_43 1.387(13) . ?
C4_43 C8_43 1.498(12) . ?
C5_43 H5_43 0.9500 . ?
C5_43 C6_43 1.397(13) . ?
C6_43 C7_43 1.397(13) . ?
C6_43 C12_43 1.492(12) . ?
C7_43 H7_43 0.9500 . ?
C8_43 F9_43 1.330(13) . ?
C8_43 F10_43 1.318(14) . ?
C8_43 F11_43 1.347(14) . ?
C12_43 F13_43 1.347(14) . ?
C12_43 F14_43 1.341(14) . ?
C12_43 F15_43 1.352(14) . ?
C16_43 C17_43 1.405(13) . ?
C16_43 C21_43 1.401(13) . ?
C17_43 H17_43 0.9500 . ?
C17_43 C18_43 1.403(13) . ?
C18_43 C19_43 1.393(13) . ?
C18_43 C22_43 1.500(13) . ?
C19_43 H19_43 0.9500 . ?
C19_43 C20_43 1.391(13) . ?
C20_43 C21_43 1.387(13) . ?
C20_43 C26_43 1.498(12) . ?
C21_43 H21_43 0.9500 . ?
C22_43 F23_43 1.343(14) . ?
C22_43 F24_43 1.347(14) . ?
C22_43 F25_43 1.336(14) . ?
C26_43 F27_43 1.342(14) . ?
C26_43 F28_43 1.351(14) . ?
C26_43 F29_43 1.325(14) . ?
C30_43 C31_43 1.408(13) . ?
C30_43 C35_43 1.398(13) . ?
C31_43 H31_43 0.9500 . ?
C31_43 C32_43 1.385(13) . ?
C32_43 C33_43 1.395(13) . ?
C32_43 C36_43 1.490(12) . ?
C33_43 H33_43 0.9500 . ?
C33_43 C34_43 1.380(13) . ?
C34_43 C35_43 1.391(13) . ?
C34_43 C40_43 1.488(12) . ?
C35_43 H35_43 0.9500 . ?
C36_43 F37_43 1.328(13) . ?
C36_43 F38_43 1.328(13) . ?
C36_43 F39_43 1.331(13) . ?
C40_43 F41_43 1.316(13) . ?
C40_43 F42_43 1.351(13) . ?
C40_43 F43_43 1.343(13) . ?
C44_43 C45_43 1.403(13) . ?
C44_43 C49_43 1.414(13) . ?
C45_43 H45_43 0.9500 . ?
C45_43 C46_43 1.381(13) . ?
C46_43 C47_43 1.396(13) . ?
C46_43 C50_43 1.481(13) . ?
C47_43 H47_43 0.9500 . ?
C47_43 C48_43 1.383(13) . ?
C48_43 C49_43 1.391(13) . ?
C48_43 C54_43 1.493(13) . ?
C49_43 H49_43 0.9500 . ?
C50_43 F51_43 1.343(14) . ?
C50_43 F52_43 1.328(14) . ?
C50_43 F53_43 1.335(14) . ?
C54_43 F55_43 1.299(14) . ?
C54_43 F56_43 1.323(14) . ?
C54_43 F57_43 1.339(14) . ?
N_51 C1_51 1.144(6) . ?
C1_51 C2_51 1.453(6) . ?
N_52 C1_52 1.143(6) . ?
C1_52 C2_52 1.459(6) . ?
N_54 C1_54 1.145(6) . ?
C1_54 C2_54 1.456(6) . ?
N_55 C1_55 1.162(7) . ?
C1_55 C2_55 1.461(7) . ?
N_56 C1_56 1.153(7) . ?
C1_56 C2_56 1.465(7) . ?
N_57 C1_57 1.149(7) . ?
C1_57 C2_57 1.457(7) . ?
N_58 C1_58 1.144(7) . ?
C1_58 C2_58 1.456(6) . ?
N_59 C1_59 1.144(6) . ?
C1_59 C2_59 1.455(6) . ?
N_60 C1_60 1.149(7) . ?
C1_60 C2_60 1.457(7) . ?
N_61 C1_61 1.150(7) . ?
C1_61 C2_61 1.458(7) . ?
N_62 C1_62 1.145(6) . ?
C1_62 C2_62 1.453(6) . ?
N_63 C1_63 1.147(7) . ?
C1_63 C2_63 1.456(7) . ?

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
O1_21 Cs1_1 Cs2_2 56.75(12) . . ?
O1_21 Cs1_1 O1_22 57.07(14) . . ?
O1_21 Cs1_1 O1_23 100.06(16) . . ?
O1_21 Cs1_1 O1_24 102.36(16) . . ?
O1_22 Cs1_1 Cs2_2 51.19(10) . . ?
O1_23 Cs1_1 Cs2_2 49.86(11) . . ?
O1_23 Cs1_1 O1_22 55.07(14) . . ?
O1_24 Cs1_1 Cs2_2 54.79(12) . . ?
O1_24 Cs1_1 O1_22 99.94(16) . . ?
O1_24 Cs1_1 O1_23 56.65(16) . . ?
O1_25 Cs1_1 Cs2_2 59.68(13) . . ?
O1_25 Cs1_1 O1_21 58.79(15) . . ?
O1_25 Cs1_1 O1_22 102.58(16) . . ?
O1_25 Cs1_1 O1_23 101.97(17) . . ?
O1_25 Cs1_1 O1_24 58.17(16) . . ?
O1_26 Cs1_1 Cs2_2 116.84(16) . . ?
O1_26 Cs1_1 O1_21 116.56(18) . . ?
O1_26 Cs1_1 O1_22 167.87(19) . . ?
O1_26 Cs1_1 O1_23 120.72(17) . . ?
O1_26 Cs1_1 O1_24 70.48(19) . . ?
O1_26 Cs1_1 O1_25 66.3(2) . . ?
O1_27 Cs1_1 Cs2_2 116.39(15) . . ?
O1_27 Cs1_1 O1_21 65.63(18) . . ?
O1_27 Cs1_1 O1_22 114.27(16) . . ?
O1_27 Cs1_1 O1_23 165.51(19) . . ?
O1_27 Cs1_1 O1_24 122.08(18) . . ?
O1_27 Cs1_1 O1_25 69.29(19) . . ?
O1_27 Cs1_1 O1_26 67.38(19) . . ?
O1_27 Cs1_1 O1_28 67.48(18) . . ?
O1_27 Cs1_1 O1_29 125.3(2) . . ?
O1_27 Cs1_1 O1_30 128.0(2) . . ?
O1_28 Cs1_1 Cs2_2 107.13(13) . . ?
O1_28 Cs1_1 O1_21 65.61(17) . . ?
O1_28 Cs1_1 O1_22 61.80(16) . . ?
O1_28 Cs1_1 O1_23 109.71(16) . . ?
O1_28 Cs1_1 O1_24 161.39(18) . . ?
O1_28 Cs1_1 O1_25 119.40(16) . . ?
O1_28 Cs1_1 O1_26 127.03(19) . . ?
O1_28 Cs1_1 O1_29 66.08(18) . . ?
O1_29 Cs1_1 Cs2_2 103.67(15) . . ?
O1_29 Cs1_1 O1_21 116.42(17) . . ?
O1_29 Cs1_1 O1_22 64.80(17) . . ?
O1_29 Cs1_1 O1_23 61.85(18) . . ?
O1_29 Cs1_1 O1_24 111.02(18) . . ?
O1_29 Cs1_1 O1_25 163.1(2) . . ?
O1_29 Cs1_1 O1_26 125.0(2) . . ?
O1_30 Cs1_1 Cs2_2 106.34(16) . . ?
O1_30 Cs1_1 O1_21 163.0(2) . . ?
O1_30 Cs1_1 O1_22 115.28(17) . . ?
O1_30 Cs1_1 O1_23 65.67(19) . . ?
O1_30 Cs1_1 O1_24 62.57(19) . . ?
O1_30 Cs1_1 O1_25 113.30(18) . . ?
O1_30 Cs1_1 O1_26 67.63(19) . . ?
O1_30 Cs1_1 O1_28 126.5(2) . . ?
O1_30 Cs1_1 O1_29 66.26(19) . . ?
Cs3_3 Cs2_2 Cs1_1 175.70(2) . . ?
O1_16 Cs2_2 Cs1_1 123.12(12) . . ?
O1_16 Cs2_2 Cs3_3 57.51(12) . . ?
O1_16 Cs2_2 O1_17 57.98(16) . . ?
O1_16 Cs2_2 O1_21 81.86(16) . . ?
O1_16 Cs2_2 O1_25 133.83(15) . . ?
O1_17 Cs2_2 Cs1_1 126.08(15) . . ?
O1_17 Cs2_2 Cs3_3 58.15(14) . . ?
O1_17 Cs2_2 O1_25 166.60(15) . . ?
O1_18 Cs2_2 Cs1_1 121.69(15) . . ?
O1_18 Cs2_2 Cs3_3 60.47(15) . . ?
O1_18 Cs2_2 O1_16 106.78(18) . . ?
O1_18 Cs2_2 O1_17 58.40(17) . . ?
O1_18 Cs2_2 O1_21 165.15(17) . . ?
O1_18 Cs2_2 O1_24 64.70(19) . . ?
O1_18 Cs2_2 O1_25 108.47(17) . . ?
O1_19 Cs2_2 Cs1_1 117.20(14) . . ?
O1_19 Cs2_2 Cs3_3 59.91(14) . . ?
O1_19 Cs2_2 O1_16 110.67(17) . . ?
O1_19 Cs2_2 O1_17 108.16(19) . . ?
O1_19 Cs2_2 O1_18 61.8(2) . . ?
O1_19 Cs2_2 O1_20 63.09(16) . . ?
O1_19 Cs2_2 O1_21 104.11(18) . . ?
O1_19 Cs2_2 O1_22 164.49(16) . . ?
O1_19 Cs2_2 O1_24 74.54(17) . . ?
O1_19 Cs2_2 O1_25 63.70(18) . . ?
O1_20 Cs2_2 Cs1_1 118.54(13) . . ?
O1_20 Cs2_2 Cs3_3 57.60(13) . . ?
O1_20 Cs2_2 O1_16 60.33(15) . . ?
O1_20 Cs2_2 O1_17 106.83(18) . . ?
O1_20 Cs2_2 O1_18 111.0(2) . . ?
O1_20 Cs2_2 O1_21 62.21(17) . . ?
O1_20 Cs2_2 O1_22 102.44(15) . . ?
O1_20 Cs2_2 O1_24 130.67(16) . . ?
O1_20 Cs2_2 O1_25 79.60(16) . . ?
O1_21 Cs2_2 Cs1_1 58.71(12) . . ?
O1_21 Cs2_2 Cs3_3 118.13(12) . . ?
O1_21 Cs2_2 O1_17 135.07(15) . . ?
O1_21 Cs2_2 O1_25 58.30(15) . . ?
O1_22 Cs2_2 Cs1_1 63.28(12) . . ?
O1_22 Cs2_2 Cs3_3 118.52(12) . . ?
O1_22 Cs2_2 O1_16 62.39(17) . . ?
O1_22 Cs2_2 O1_17 80.52(17) . . ?
O1_22 Cs2_2 O1_18 132.49(18) . . ?
O1_22 Cs2_2 O1_21 62.10(15) . . ?
O1_22 Cs2_2 O1_24 115.38(17) . . ?
O1_22 Cs2_2 O1_25 109.99(16) . . ?
O1_23 Cs2_2 Cs1_1 63.30(15) . . ?
O1_23 Cs2_2 Cs3_3 120.95(15) . . ?
O1_23 Cs2_2 O1_16 105.88(17) . . ?
O1_23 Cs2_2 O1_17 65.6(2) . . ?
O1_23 Cs2_2 O1_18 76.4(2) . . ?
O1_23 Cs2_2 O1_19 130.38(17) . . ?
O1_23 Cs2_2 O1_20 165.37(16) . . ?
O1_23 Cs2_2 O1_21 113.40(18) . . ?
O1_23 Cs2_2 O1_22 64.67(16) . . ?
O1_23 Cs2_2 O1_24 63.66(17) . . ?
O1_23 Cs2_2 O1_25 110.61(18) . . ?
O1_24 Cs2_2 Cs1_1 60.35(13) . . ?
O1_24 Cs2_2 Cs3_3 120.10(13) . . ?
O1_24 Cs2_2 O1_16 167.22(16) . . ?
O1_24 Cs2_2 O1_17 109.53(17) . . ?
O1_24 Cs2_2 O1_21 108.62(17) . . ?
O1_24 Cs2_2 O1_25 58.91(16) . . ?
O1_25 Cs2_2 Cs1_1 56.39(12) . . ?
O1_25 Cs2_2 Cs3_3 119.75(12) . . ?
O1_11 Cs3_3 Cs2_2 113.50(13) . . ?
O1_11 Cs3_3 O1_15 65.40(16) . . ?
O1_11 Cs3_3 O1_16 67.83(16) . . ?
O1_11 Cs3_3 O1_17 117.27(15) . . ?
O1_11 Cs3_3 O1_18 167.55(17) . . ?
O1_11 Cs3_3 O1_19 119.48(17) . . ?
O1_11 Cs3_3 O1_20 68.27(17) . . ?
O1_11 Cs3_3 N_55 74.3(5) . . ?
O1_12 Cs3_3 Cs2_2 117.38(15) . . ?
O1_12 Cs3_3 O1_11 65.10(17) . . ?
O1_12 Cs3_3 O1_13 65.78(18) . . ?
O1_12 Cs3_3 O1_15 120.25(19) . . ?
O1_12 Cs3_3 O1_16 69.08(18) . . ?
O1_12 Cs3_3 O1_17 68.40(19) . . ?
O1_12 Cs3_3 O1_18 116.71(19) . . ?
O1_12 Cs3_3 O1_19 168.76(19) . . ?
O1_12 Cs3_3 O1_20 119.23(16) . . ?
O1_12 Cs3_3 N_55 70.1(5) . . ?
O1_13 Cs3_3 Cs2_2 113.97(17) . . ?
O1_13 Cs3_3 O1_11 122.8(2) . . ?
O1_13 Cs3_3 O1_15 120.9(2) . . ?
O1_13 Cs3_3 O1_16 117.72(17) . . ?
O1_13 Cs3_3 O1_17 67.1(2) . . ?
O1_13 Cs3_3 O1_18 66.3(2) . . ?
O1_13 Cs3_3 O1_19 114.46(18) . . ?
O1_13 Cs3_3 O1_20 167.4(2) . . ?
O1_13 Cs3_3 N_55 62.7(5) . . ?
O1_14 Cs3_3 Cs2_2 107.61(16) . . ?
O1_14 Cs3_3 O1_11 124.40(19) . . ?
O1_14 Cs3_3 O1_12 123.8(2) . . ?
O1_14 Cs3_3 O1_13 66.29(19) . . ?
O1_14 Cs3_3 O1_15 65.59(18) . . ?
O1_14 Cs3_3 O1_16 164.10(19) . . ?
O1_14 Cs3_3 O1_17 115.80(18) . . ?
O1_14 Cs3_3 O1_18 65.9(2) . . ?
O1_14 Cs3_3 O1_19 63.40(19) . . ?
O1_14 Cs3_3 O1_20 113.98(17) . . ?
O1_14 Cs3_3 N_55 63.0(5) . . ?
O1_15 Cs3_3 Cs2_2 111.60(14) . . ?
O1_15 Cs3_3 O1_16 118.08(17) . . ?
O1_15 Cs3_3 O1_17 169.46(19) . . ?
O1_15 Cs3_3 O1_18 118.94(17) . . ?
O1_15 Cs3_3 O1_19 69.89(18) . . ?
O1_15 Cs3_3 O1_20 67.86(18) . . ?
O1_15 Cs3_3 N_55 66.1(5) . . ?
O1_16 Cs3_3 Cs2_2 56.49(11) . . ?
O1_16 Cs3_3 O1_17 57.54(15) . . ?
O1_16 Cs3_3 O1_18 100.81(16) . . ?
O1_16 Cs3_3 O1_19 102.42(16) . . ?
O1_16 Cs3_3 N_55 132.9(5) . . ?
O1_17 Cs3_3 Cs2_2 57.87(13) . . ?
O1_17 Cs3_3 O1_18 56.21(17) . . ?
O1_17 Cs3_3 N_55 124.3(5) . . ?
O1_18 Cs3_3 Cs2_2 54.23(12) . . ?
O1_18 Cs3_3 N_55 118.1(5) . . ?
O1_19 Cs3_3 Cs2_2 51.65(12) . . ?
O1_19 Cs3_3 O1_17 101.00(18) . . ?
O1_19 Cs3_3 O1_18 56.40(18) . . ?
O1_19 Cs3_3 N_55 120.5(5) . . ?
O1_20 Cs3_3 Cs2_2 53.48(12) . . ?
O1_20 Cs3_3 O1_16 58.44(15) . . ?
O1_20 Cs3_3 O1_17 103.10(17) . . ?
O1_20 Cs3_3 O1_18 101.83(17) . . ?
O1_20 Cs3_3 O1_19 58.13(15) . . ?
O1_20 Cs3_3 N_55 129.4(5) . . ?
N_55 Cs3_3 Cs2_2 170.6(5) . . ?
C4_11 O1_11 Cs3_3 138.3(6) . . ?
H2A_11 N2_11 H2B_11 120.0 . . ?
C6_11 N2_11 H2A_11 120.0 . . ?
C6_11 N2_11 H2B_11 120.0 . . ?
C11_11 N3_11 C4_11 112.1(7) . . ?
O1_11 C4_11 N3_11 123.4(8) . . ?
O1_11 C4_11 N5_11 116.9(8) . . ?
N3_11 C4_11 N5_11 119.7(7) . . ?
C4_11 N5_11 H5_11 116.5 . . ?
C6_11 N5_11 C4_11 127.0(8) . . ?
C6_11 N5_11 H5_11 116.5 . . ?
N2_11 C6_11 N5_11 121.2(9) . . ?
N2_11 C6_11 C7_11 126.1(8) . . ?
N5_11 C6_11 C7_11 112.7(8) . . ?
N8_11 C7_11 C6_11 130.2(8) . . ?
C11_11 C7_11 C6_11 117.2(8) . . ?
C11_11 C7_11 N8_11 112.6(8) . . ?
C9_11 N8_11 C7_11 102.6(8) . . ?
N8_11 C9_11 H9_11 122.2 . . ?
N8_11 C9_11 N10_11 115.6(9) . . ?
N10_11 C9_11 H9_11 122.2 . . ?
C9_11 N10_11 C11_11 104.0(7) . . ?
C9_11 N10_11 C12_11 131.6(7) . . ?
C11_11 N10_11 C12_11 124.4(7) . . ?
N3_11 C11_11 N10_11 123.6(8) . . ?
C7_11 C11_11 N3_11 131.2(8) . . ?
C7_11 C11_11 N10_11 105.2(7) . . ?
N10_11 C12_11 H12_11 110.2 . . ?
N10_11 C12_11 C16_11 112.4(7) . . ?
O13_11 C12_11 N10_11 108.4(7) . . ?
O13_11 C12_11 H12_11 110.2 . . ?
O13_11 C12_11 C16_11 105.3(6) . . ?
C16_11 C12_11 H12_11 110.2 . . ?
C12_11 O13_11 C14_11 109.8(6) . . ?
O13_11 C14_11 H14_11 109.0 . . ?
O13_11 C14_11 C15_11 106.7(6) . . ?
O13_11 C14_11 C17_11 111.0(8) . . ?
C15_11 C14_11 H14_11 109.0 . . ?
C17_11 C14_11 H14_11 109.0 . . ?
C17_11 C14_11 C15_11 112.1(9) . . ?
C14_11 C15_11 H15_11 109.8 . . ?
C14_11 C15_11 C16_11 103.8(7) . . ?
C16_11 C15_11 H15_11 109.8 . . ?
O26_11 C15_11 C14_11 109.1(8) . . ?
O26_11 C15_11 H15_11 109.8 . . ?
O26_11 C15_11 C16_11 114.2(8) . . ?
C12_11 C16_11 C15_11 101.7(7) . . ?
C12_11 C16_11 H16A_11 111.4 . . ?
C12_11 C16_11 H16B_11 111.4 . . ?
C15_11 C16_11 H16A_11 111.4 . . ?
C15_11 C16_11 H16B_11 111.4 . . ?
H16A_11 C16_11 H16B_11 109.3 . . ?
C14_11 C17_11 H17A_11 109.9 . . ?
C14_11 C17_11 H17B_11 109.9 . . ?
H17A_11 C17_11 H17B_11 108.3 . . ?
O18_11 C17_11 C14_11 109.0(9) . . ?
O18_11 C17_11 H17A_11 109.9 . . ?
O18_11 C17_11 H17B_11 109.9 . . ?
C17_11 O18_11 Si19_11 124.9(9) . . ?
O18_11 Si19_11 C20_11 107.4(8) . . ?
O18_11 Si19_11 C21_11 108.7(8) . . ?
O18_11 Si19_11 C22_11 106.5(6) . . ?
C21_11 Si19_11 C20_11 109.3(10) . . ?
C22_11 Si19_11 C20_11 111.4(9) . . ?
C22_11 Si19_11 C21_11 113.4(10) . . ?
Si19_11 C20_11 H20A_11 109.5 . . ?
Si19_11 C20_11 H20B_11 109.5 . . ?
Si19_11 C20_11 H20C_11 109.5 . . ?
H20A_11 C20_11 H20B_11 109.5 . . ?
H20A_11 C20_11 H20C_11 109.5 . . ?
H20B_11 C20_11 H20C_11 109.5 . . ?
Si19_11 C21_11 H21A_11 109.5 . . ?
Si19_11 C21_11 H21B_11 109.5 . . ?
Si19_11 C21_11 H21C_11 109.5 . . ?
H21A_11 C21_11 H21B_11 109.5 . . ?
H21A_11 C21_11 H21C_11 109.5 . . ?
H21B_11 C21_11 H21C_11 109.5 . . ?
C23_11 C22_11 Si19_11 109.6(12) . . ?
C24_11 C22_11 Si19_11 109.1(11) . . ?
C24_11 C22_11 C23_11 108.0(15) . . ?
C25_11 C22_11 Si19_11 111.0(11) . . ?
C25_11 C22_11 C23_11 109.2(14) . . ?
C25_11 C22_11 C24_11 109.9(14) . . ?
C22_11 C23_11 H23A_11 109.5 . . ?
C22_11 C23_11 H23B_11 109.5 . . ?
C22_11 C23_11 H23C_11 109.5 . . ?
H23A_11 C23_11 H23B_11 109.5 . . ?
H23A_11 C23_11 H23C_11 109.5 . . ?
H23B_11 C23_11 H23C_11 109.5 . . ?
C22_11 C24_11 H24A_11 109.5 . . ?
C22_11 C24_11 H24B_11 109.5 . . ?
C22_11 C24_11 H24C_11 109.5 . . ?
H24A_11 C24_11 H24B_11 109.5 . . ?
H24A_11 C24_11 H24C_11 109.5 . . ?
H24B_11 C24_11 H24C_11 109.5 . . ?
C22_11 C25_11 H25A_11 109.5 . . ?
C22_11 C25_11 H25B_11 109.5 . . ?
C22_11 C25_11 H25C_11 109.5 . . ?
H25A_11 C25_11 H25B_11 109.5 . . ?
H25A_11 C25_11 H25C_11 109.5 . . ?
H25B_11 C25_11 H25C_11 109.5 . . ?
C15_11 O26_11 Si27_11^a 120.8(8) . . ?
C15_11 O26_11 Si27_11^b 135.8(9) . . ?
O26_11 Si27_11^a C28_11^a 113.9(11) . . ?
O26_11 Si27_11^a C29_11^a 109.4(13) . . ?
O26_11 Si27_11^a C30_11^a 101.4(8) . . ?
C28_11^a Si27_11^a C29_11^a 112.5(13) . . ?
C28_11^a Si27_11^a C30_11^a 108.8(12) . . ?
C29_11^a Si27_11^a C30_11^a 110.2(13) . . ?
Si27_11^a C28_11^a H28A_11 109.5 . . ?
Si27_11^a C28_11^a H28B_11 109.5 . . ?
Si27_11^a C28_11^a H28C_11 109.5 . . ?
H28A_11 C28_11^a H28B_11 109.5 . . ?
H28A_11 C28_11^a H28C_11 109.5 . . ?
H28B_11 C28_11^a H28C_11 109.5 . . ?
Si27_11^a C29_11^a H29A_11 109.5 . . ?
Si27_11^a C29_11^a H29B_11 109.5 . . ?
Si27_11^a C29_11^a H29C_11 109.5 . . ?
H29A_11 C29_11^a H29B_11 109.5 . . ?
H29A_11 C29_11^a H29C_11 109.5 . . ?
H29B_11 C29_11^a H29C_11 109.5 . . ?
C31_11^a C30_11^a Si27_11^a 109.8(14) . . ?
C31_11^a C30_11^a C33_11^a 110.9(16) . . ?
C32_11^a C30_11^a Si27_11^a 104.8(13) . . ?
C32_11^a C30_11^a C31_11^a 111.7(17) . . ?
C32_11^a C30_11^a C33_11^a 108.9(16) . . ?
C33_11^a C30_11^a Si27_11^a 110.5(14) . . ?
C30_11^a C31_11^a H31A_11 109.5 . . ?
C30_11^a C31_11^a H31B_11 109.5 . . ?
C30_11^a C31_11^a H31C_11 109.5 . . ?
H31A_11 C31_11^a H31B_11 109.5 . . ?
H31A_11 C31_11^a H31C_11 109.5 . . ?
H31B_11 C31_11^a H31C_11 109.5 . . ?
C30_11^a C32_11^a H32A_11 109.5 . . ?
C30_11^a C32_11^a H32B_11 109.5 . . ?
C30_11^a C32_11^a H32C_11 109.5 . . ?
H32A_11 C32_11^a H32B_11 109.5 . . ?
H32A_11 C32_11^a H32C_11 109.5 . . ?
H32B_11 C32_11^a H32C_11 109.5 . . ?
C30_11^a C33_11^a H33A_11 109.5 . . ?
C30_11^a C33_11^a H33B_11 109.5 . . ?
C30_11^a C33_11^a H33C_11 109.5 . . ?
H33A_11 C33_11^a H33B_11 109.5 . . ?
H33A_11 C33_11^a H33C_11 109.5 . . ?
H33B_11 C33_11^a H33C_11 109.5 . . ?
O26_11 Si27_11^b C28_11^b 109.0(14) . . ?
O26_11 Si27_11^b C29_11^b 112.2(14) . . ?
O26_11 Si27_11^b C30_11^b 106.6(10) . . ?
C28_11^b Si27_11^b C29_11^b 108.2(14) . . ?
C28_11^b Si27_11^b C30_11^b 111.6(14) . . ?
C29_11^b Si27_11^b C30_11^b 109.3(14) . . ?
Si27_11^b C28_11^b H28D_11 109.5 . . ?
Si27_11^b C28_11^b H28E_11 109.5 . . ?
Si27_11^b C28_11^b H28F_11 109.5 . . ?
H28D_11 C28_11^b H28E_11 109.5 . . ?
H28D_11 C28_11^b H28F_11 109.5 . . ?
H28E_11 C28_11^b H28F_11 109.5 . . ?
Si27_11^b C29_11^b H29D_11 109.5 . . ?
Si27_11^b C29_11^b H29E_11 109.5 . . ?
Si27_11^b C29_11^b H29F_11 109.5 . . ?
H29D_11 C29_11^b H29E_11 109.5 . . ?
H29D_11 C29_11^b H29F_11 109.5 . . ?
H29E_11 C29_11^b H29F_11 109.5 . . ?
C31_11^b C30_11^b Si27_11^b 112.5(15) . . ?
C31_11^b C30_11^b C32_11^b 109.6(18) . . ?
C31_11^b C30_11^b C33_11^b 111.5(18) . . ?
C32_11^b C30_11^b Si27_11^b 105.1(14) . . ?
C33_11^b C30_11^b Si27_11^b 110.3(16) . . ?
C33_11^b C30_11^b C32_11^b 107.6(17) . . ?
C30_11^b C31_11^b H31D_11 109.5 . . ?
C30_11^b C31_11^b H31E_11 109.5 . . ?
C30_11^b C31_11^b H31F_11 109.5 . . ?
H31D_11 C31_11^b H31E_11 109.5 . . ?
H31D_11 C31_11^b H31F_11 109.5 . . ?
H31E_11 C31_11^b H31F_11 109.5 . . ?
C30_11^b C32_11^b H32D_11 109.5 . . ?
C30_11^b C32_11^b H32E_11 109.5 . . ?
C30_11^b C32_11^b H32F_11 109.5 . . ?
H32D_11 C32_11^b H32E_11 109.5 . . ?
H32D_11 C32_11^b H32F_11 109.5 . . ?
H32E_11 C32_11^b H32F_11 109.5 . . ?
C30_11^b C33_11^b H33D_11 109.5 . . ?
C30_11^b C33_11^b H33E_11 109.5 . . ?
C30_11^b C33_11^b H33F_11 109.5 . . ?
H33D_11 C33_11^b H33E_11 109.5 . . ?
H33D_11 C33_11^b H33F_11 109.5 . . ?
H33E_11 C33_11^b H33F_11 109.5 . . ?
C4_12 O1_12 Cs3_3 138.7(6) . . ?
H2A_12 N2_12 H2B_12 120.0 . . ?
C6_12 N2_12 H2A_12 120.0 . . ?
C6_12 N2_12 H2B_12 120.0 . . ?
C4_12 N3_12 C11_12 112.7(8) . . ?
O1_12 C4_12 N3_12 121.7(9) . . ?
O1_12 C4_12 N5_12 116.0(8) . . ?
N3_12 C4_12 N5_12 122.3(9) . . ?
C4_12 N5_12 H5_12 117.9 . . ?
C6_12 N5_12 C4_12 124.3(8) . . ?
C6_12 N5_12 H5_12 117.9 . . ?
N2_12 C6_12 N5_12 119.1(9) . . ?
N2_12 C6_12 C7_12 125.5(10) . . ?
N5_12 C6_12 C7_12 114.9(9) . . ?
N8_12 C7_12 C6_12 131.1(10) . . ?
C11_12 C7_12 C6_12 116.5(9) . . ?
C11_12 C7_12 N8_12 112.2(8) . . ?
C9_12 N8_12 C7_12 101.1(9) . . ?
N8_12 C9_12 H9_12 121.7 . . ?
N8_12 C9_12 N10_12 116.7(9) . . ?
N10_12 C9_12 H9_12 121.7 . . ?
C9_12 N10_12 C11_12 105.0(7) . . ?
C9_12 N10_12 C12_12 130.6(7) . . ?
C11_12 N10_12 C12_12 124.4(7) . . ?
N3_12 C11_12 C7_12 128.9(8) . . ?
N3_12 C11_12 N10_12 126.2(8) . . ?
C7_12 C11_12 N10_12 105.0(8) . . ?
N10_12 C12_12 H12_12 109.7 . . ?
N10_12 C12_12 C16_12 112.2(8) . . ?
O13_12 C12_12 N10_12 109.6(8) . . ?
O13_12 C12_12 H12_12 109.7 . . ?
O13_12 C12_12 C16_12 106.0(7) . . ?
C16_12 C12_12 H12_12 109.7 . . ?
C12_12 O13_12 C14_12 110.3(7) . . ?
O13_12 C14_12 H14_12 108.4 . . ?
O13_12 C14_12 C15_12 106.1(7) . . ?
O13_12 C14_12 C17_12 108.9(9) . . ?
C15_12 C14_12 H14_12 108.4 . . ?
C17_12 C14_12 H14_12 108.4 . . ?
C17_12 C14_12 C15_12 116.3(10) . . ?
C14_12 C15_12 H15_12 110.2 . . ?
C14_12 C15_12 C16_12 102.8(7) . . ?
C16_12 C15_12 H15_12 110.2 . . ?
O26_12 C15_12 C14_12 109.1(8) . . ?
O26_12 C15_12 H15_12 110.2 . . ?
O26_12 C15_12 C16_12 114.2(8) . . ?
C12_12 C16_12 C15_12 100.5(7) . . ?
C12_12 C16_12 H16A_12 111.7 . . ?
C12_12 C16_12 H16B_12 111.7 . . ?
C15_12 C16_12 H16A_12 111.7 . . ?
C15_12 C16_12 H16B_12 111.7 . . ?
H16A_12 C16_12 H16B_12 109.4 . . ?
C14_12 C17_12 H17A_12 109.8 . . ?
C14_12 C17_12 H17B_12 109.8 . . ?
H17A_12 C17_12 H17B_12 108.2 . . ?
O18_12 C17_12 C14_12 109.5(10) . . ?
O18_12 C17_12 H17A_12 109.8 . . ?
O18_12 C17_12 H17B_12 109.8 . . ?
C17_12 O18_12 Si19_12 126.7(9) . . ?
O18_12 Si19_12 C20_12 108.3(8) . . ?
O18_12 Si19_12 C21_12 109.1(8) . . ?
O18_12 Si19_12 C22_12 107.9(7) . . ?
C20_12 Si19_12 C21_12 108.8(10) . . ?
C20_12 Si19_12 C22_12 112.4(9) . . ?
C22_12 Si19_12 C21_12 110.3(9) . . ?
Si19_12 C20_12 H20A_12 109.5 . . ?
Si19_12 C20_12 H20B_12 109.5 . . ?
Si19_12 C20_12 H20C_12 109.5 . . ?
H20A_12 C20_12 H20B_12 109.5 . . ?
H20A_12 C20_12 H20C_12 109.5 . . ?
H20B_12 C20_12 H20C_12 109.5 . . ?
Si19_12 C21_12 H21A_12 109.5 . . ?
Si19_12 C21_12 H21B_12 109.5 . . ?
Si19_12 C21_12 H21C_12 109.5 . . ?
H21A_12 C21_12 H21B_12 109.5 . . ?
H21A_12 C21_12 H21C_12 109.5 . . ?
H21B_12 C21_12 H21C_12 109.5 . . ?
C23_12 C22_12 Si19_12 107.0(10) . . ?
C23_12 C22_12 C24_12 105.4(14) . . ?
C24_12 C22_12 Si19_12 111.3(12) . . ?
C25_12 C22_12 Si19_12 112.4(13) . . ?
C25_12 C22_12 C23_12 108.7(15) . . ?
C25_12 C22_12 C24_12 111.8(15) . . ?
C22_12 C23_12 H23A_12 109.5 . . ?
C22_12 C23_12 H23B_12 109.5 . . ?
C22_12 C23_12 H23C_12 109.5 . . ?
H23A_12 C23_12 H23B_12 109.5 . . ?
H23A_12 C23_12 H23C_12 109.5 . . ?
H23B_12 C23_12 H23C_12 109.5 . . ?
C22_12 C24_12 H24A_12 109.5 . . ?
C22_12 C24_12 H24B_12 109.5 . . ?
C22_12 C24_12 H24C_12 109.5 . . ?
H24A_12 C24_12 H24B_12 109.5 . . ?
H24A_12 C24_12 H24C_12 109.5 . . ?
H24B_12 C24_12 H24C_12 109.5 . . ?
C22_12 C25_12 H25A_12 109.5 . . ?
C22_12 C25_12 H25B_12 109.5 . . ?
C22_12 C25_12 H25C_12 109.5 . . ?
H25A_12 C25_12 H25B_12 109.5 . . ?
H25A_12 C25_12 H25C_12 109.5 . . ?
H25B_12 C25_12 H25C_12 109.5 . . ?
C15_12 O26_12 Si27_12 124.7(7) . . ?
O26_12 Si27_12 C28_12 109.0(6) . . ?
O26_12 Si27_12 C29_12 110.0(6) . . ?
O26_12 Si27_12 C30_12 102.6(6) . . ?
C28_12 Si27_12 C29_12 110.3(8) . . ?
C28_12 Si27_12 C30_12 112.7(6) . . ?
C29_12 Si27_12 C30_12 112.0(6) . . ?
Si27_12 C28_12 H28A_12 109.5 . . ?
Si27_12 C28_12 H28B_12 109.5 . . ?
Si27_12 C28_12 H28C_12 109.5 . . ?
H28A_12 C28_12 H28B_12 109.5 . . ?
H28A_12 C28_12 H28C_12 109.5 . . ?
H28B_12 C28_12 H28C_12 109.5 . . ?
Si27_12 C29_12 H29A_12 109.5 . . ?
Si27_12 C29_12 H29B_12 109.5 . . ?
Si27_12 C29_12 H29C_12 109.5 . . ?
H29A_12 C29_12 H29B_12 109.5 . . ?
H29A_12 C29_12 H29C_12 109.5 . . ?
H29B_12 C29_12 H29C_12 109.5 . . ?
C31_12 C30_12 Si27_12 110.4(8) . . ?
C31_12 C30_12 C32_12 108.9(13) . . ?
C31_12 C30_12 C33_12 112.0(13) . . ?
C32_12 C30_12 Si27_12 110.5(9) . . ?
C32_12 C30_12 C33_12 105.8(12) . . ?
C33_12 C30_12 Si27_12 109.1(10) . . ?
C30_12 C31_12 H31A_12 109.5 . . ?
C30_12 C31_12 H31B_12 109.5 . . ?
C30_12 C31_12 H31C_12 109.5 . . ?
H31A_12 C31_12 H31B_12 109.5 . . ?
H31A_12 C31_12 H31C_12 109.5 . . ?
H31B_12 C31_12 H31C_12 109.5 . . ?
C30_12 C32_12 H32A_12 109.5 . . ?
C30_12 C32_12 H32B_12 109.5 . . ?
C30_12 C32_12 H32C_12 109.5 . . ?
H32A_12 C32_12 H32B_12 109.5 . . ?
H32A_12 C32_12 H32C_12 109.5 . . ?
H32B_12 C32_12 H32C_12 109.5 . . ?
C30_12 C33_12 H33A_12 109.5 . . ?
C30_12 C33_12 H33B_12 109.5 . . ?
C30_12 C33_12 H33C_12 109.5 . . ?
H33A_12 C33_12 H33B_12 109.5 . . ?
H33A_12 C33_12 H33C_12 109.5 . . ?
H33B_12 C33_12 H33C_12 109.5 . . ?
C4_13 O1_13 Cs3_3 137.9(6) . . ?
H2A_13 N2_13 H2B_13 120.0 . . ?
C6_13 N2_13 H2A_13 120.0 . . ?
C6_13 N2_13 H2B_13 120.0 . . ?
C4_13 N3_13 C11_13 112.3(8) . . ?
O1_13 C4_13 N3_13 122.6(9) . . ?
O1_13 C4_13 N5_13 114.9(9) . . ?
N3_13 C4_13 N5_13 122.5(8) . . ?
C4_13 N5_13 H5_13 118.0 . . ?
C6_13 N5_13 C4_13 124.1(9) . . ?
C6_13 N5_13 H5_13 118.0 . . ?
N2_13 C6_13 N5_13 118.4(10) . . ?
N2_13 C6_13 C7_13 127.8(9) . . ?
N5_13 C6_13 C7_13 113.8(9) . . ?
C6_13 C7_13 N8_13 130.2(10) . . ?
C11_13 C7_13 C6_13 118.9(9) . . ?
C11_13 C7_13 N8_13 110.8(10) . . ?
C9_13 N8_13 C7_13 102.2(10) . . ?
N8_13 C9_13 H9_13 122.0 . . ?
N8_13 C9_13 N10_13 115.9(11) . . ?
N10_13 C9_13 H9_13 122.0 . . ?
C9_13 N10_13 C11_13 103.5(9) . . ?
C9_13 N10_13 C12_13 129.5(9) . . ?
C11_13 N10_13 C12_13 126.8(8) . . ?
N3_13 C11_13 N10_13 124.1(9) . . ?
C7_13 C11_13 N3_13 128.3(10) . . ?
C7_13 C11_13 N10_13 107.6(9) . . ?
N10_13 C12_13 H12_13 109.6 . . ?
N10_13 C12_13 C16_13 113.1(9) . . ?
O13_13 C12_13 N10_13 109.3(9) . . ?
O13_13 C12_13 H12_13 109.6 . . ?
O13_13 C12_13 C16_13 105.6(8) . . ?
C16_13 C12_13 H12_13 109.6 . . ?
C14_13 O13_13 C12_13 109.2(8) . . ?
O13_13 C14_13 H14_13 107.7 . . ?
O13_13 C14_13 C15_13 108.1(8) . . ?
O13_13 C14_13 C17_13 108.8(10) . . ?
C15_13 C14_13 H14_13 107.7 . . ?
C17_13 C14_13 H14_13 107.7 . . ?
C17_13 C14_13 C15_13 116.6(12) . . ?
C14_13 C15_13 H15_13 110.6 . . ?
C14_13 C15_13 C16_13 103.5(8) . . ?
C16_13 C15_13 H15_13 110.6 . . ?
O26_13 C15_13 C14_13 108.9(10) . . ?
O26_13 C15_13 H15_13 110.6 . . ?
O26_13 C15_13 C16_13 112.2(11) . . ?
C12_13 C16_13 H16A_13 111.6 . . ?
C12_13 C16_13 H16B_13 111.6 . . ?
C15_13 C16_13 C12_13 100.7(8) . . ?
C15_13 C16_13 H16A_13 111.6 . . ?
C15_13 C16_13 H16B_13 111.6 . . ?
H16A_13 C16_13 H16B_13 109.4 . . ?
C14_13 C17_13 H17A_13 109.6 . . ?
C14_13 C17_13 H17B_13 109.6 . . ?
H17A_13 C17_13 H17B_13 108.1 . . ?
O18_13 C17_13 C14_13 110.4(11) . . ?
O18_13 C17_13 H17A_13 109.6 . . ?
O18_13 C17_13 H17B_13 109.6 . . ?
C17_13 O18_13 Si19_13 123.0(9) . . ?
O18_13 Si19_13 C20_13 109.7(9) . . ?
O18_13 Si19_13 C21_13 104.7(8) . . ?
O18_13 Si19_13 C22_13 109.9(8) . . ?
C20_13 Si19_13 C21_13 111.6(9) . . ?
C20_13 Si19_13 C22_13 109.2(10) . . ?
C22_13 Si19_13 C21_13 111.7(9) . . ?
Si19_13 C20_13 H20A_13 109.5 . . ?
Si19_13 C20_13 H20B_13 109.5 . . ?
Si19_13 C20_13 H20C_13 109.5 . . ?
H20A_13 C20_13 H20B_13 109.5 . . ?
H20A_13 C20_13 H20C_13 109.5 . . ?
H20B_13 C20_13 H20C_13 109.5 . . ?
Si19_13 C21_13 H21A_13 109.5 . . ?
Si19_13 C21_13 H21B_13 109.5 . . ?
Si19_13 C21_13 H21C_13 109.5 . . ?
H21A_13 C21_13 H21B_13 109.5 . . ?
H21A_13 C21_13 H21C_13 109.5 . . ?
H21B_13 C21_13 H21C_13 109.5 . . ?
C23_13 C22_13 Si19_13 112.4(14) . . ?
C23_13 C22_13 C24_13 106.8(14) . . ?
C23_13 C22_13 C25_13 112.0(17) . . ?
C24_13 C22_13 Si19_13 108.3(13) . . ?
C25_13 C22_13 Si19_13 109.6(12) . . ?
C25_13 C22_13 C24_13 107.5(15) . . ?
C22_13 C23_13 H23A_13 109.5 . . ?
C22_13 C23_13 H23B_13 109.5 . . ?
C22_13 C23_13 H23C_13 109.5 . . ?
H23A_13 C23_13 H23B_13 109.5 . . ?
H23A_13 C23_13 H23C_13 109.5 . . ?
H23B_13 C23_13 H23C_13 109.5 . . ?
C22_13 C24_13 H24A_13 109.5 . . ?
C22_13 C24_13 H24B_13 109.5 . . ?
C22_13 C24_13 H24C_13 109.5 . . ?
H24A_13 C24_13 H24B_13 109.5 . . ?
H24A_13 C24_13 H24C_13 109.5 . . ?
H24B_13 C24_13 H24C_13 109.5 . . ?
C22_13 C25_13 H25A_13 109.5 . . ?
C22_13 C25_13 H25B_13 109.5 . . ?
C22_13 C25_13 H25C_13 109.5 . . ?
H25A_13 C25_13 H25B_13 109.5 . . ?
H25A_13 C25_13 H25C_13 109.5 . . ?
H25B_13 C25_13 H25C_13 109.5 . . ?
C15_13 O26_13 Si27_13 121.7(9) . . ?
O26_13 Si27_13 C28_13 106.9(11) . . ?
O26_13 Si27_13 C29_13 113.3(10) . . ?
O26_13 Si27_13 C30_13 105.0(7) . . ?
C29_13 Si27_13 C28_13 107.8(12) . . ?
C29_13 Si27_13 C30_13 111.7(10) . . ?
C30_13 Si27_13 C28_13 112.0(12) . . ?
Si27_13 C28_13 H28A_13 109.5 . . ?
Si27_13 C28_13 H28B_13 109.5 . . ?
Si27_13 C28_13 H28C_13 109.5 . . ?
H28A_13 C28_13 H28B_13 109.5 . . ?
H28A_13 C28_13 H28C_13 109.5 . . ?
H28B_13 C28_13 H28C_13 109.5 . . ?
Si27_13 C29_13 H29A_13 109.5 . . ?
Si27_13 C29_13 H29B_13 109.5 . . ?
Si27_13 C29_13 H29C_13 109.5 . . ?
H29A_13 C29_13 H29B_13 109.5 . . ?
H29A_13 C29_13 H29C_13 109.5 . . ?
H29B_13 C29_13 H29C_13 109.5 . . ?
C31_13 C30_13 Si27_13 111.0(14) . . ?
C31_13 C30_13 C32_13 108.6(17) . . ?
C32_13 C30_13 Si27_13 106.9(14) . . ?
C33_13 C30_13 Si27_13 111.9(14) . . ?
C33_13 C30_13 C31_13 109.0(16) . . ?
C33_13 C30_13 C32_13 109.4(17) . . ?
C30_13 C31_13 H31A_13 109.5 . . ?
C30_13 C31_13 H31B_13 109.5 . . ?
C30_13 C31_13 H31C_13 109.5 . . ?
H31A_13 C31_13 H31B_13 109.5 . . ?
H31A_13 C31_13 H31C_13 109.5 . . ?
H31B_13 C31_13 H31C_13 109.5 . . ?
C30_13 C32_13 H32A_13 109.5 . . ?
C30_13 C32_13 H32B_13 109.5 . . ?
C30_13 C32_13 H32C_13 109.5 . . ?
H32A_13 C32_13 H32B_13 109.5 . . ?
H32A_13 C32_13 H32C_13 109.5 . . ?
H32B_13 C32_13 H32C_13 109.5 . . ?
C30_13 C33_13 H33A_13 109.5 . . ?
C30_13 C33_13 H33B_13 109.5 . . ?
C30_13 C33_13 H33C_13 109.5 . . ?
H33A_13 C33_13 H33B_13 109.5 . . ?
H33A_13 C33_13 H33C_13 109.5 . . ?
H33B_13 C33_13 H33C_13 109.5 . . ?
C4_14 O1_14 Cs3_3 136.7(7) . . ?
H2A_14 N2_14 H2B_14 120.0 . . ?
C6_14 N2_14 H2A_14 120.0 . . ?
C6_14 N2_14 H2B_14 120.0 . . ?
C4_14 N3_14 C11_14 113.7(9) . . ?
O1_14 C4_14 N3_14 123.3(10) . . ?
O1_14 C4_14 N5_14 115.7(8) . . ?
N3_14 C4_14 N5_14 120.9(9) . . ?
C4_14 N5_14 H5_14 117.9 . . ?
C6_14 N5_14 C4_14 124.3(8) . . ?
C6_14 N5_14 H5_14 117.9 . . ?
N2_14 C6_14 N5_14 119.3(9) . . ?
N2_14 C6_14 C7_14 125.4(9) . . ?
N5_14 C6_14 C7_14 115.3(9) . . ?
C6_14 C7_14 N8_14 131.2(10) . . ?
C11_14 C7_14 C6_14 117.3(9) . . ?
C11_14 C7_14 N8_14 111.5(8) . . ?
C9_14 N8_14 C7_14 102.3(9) . . ?
N8_14 C9_14 H9_14 122.9 . . ?
N8_14 C9_14 N10_14 114.2(9) . . ?
N10_14 C9_14 H9_14 122.9 . . ?
C9_14 N10_14 C12_14 128.2(8) . . ?
C11_14 N10_14 C9_14 105.4(8) . . ?
C11_14 N10_14 C12_14 126.3(8) . . ?
N3_14 C11_14 C7_14 128.4(9) . . ?
N3_14 C11_14 N10_14 125.0(10) . . ?
N10_14 C11_14 C7_14 106.6(8) . . ?
N10_14 C12_14 H12_14 109.0 . . ?
N10_14 C12_14 C16_14 113.3(8) . . ?
O13_14 C12_14 N10_14 111.1(8) . . ?
O13_14 C12_14 H12_14 109.0 . . ?
O13_14 C12_14 C16_14 105.2(7) . . ?
C16_14 C12_14 H12_14 109.0 . . ?
C12_14 O13_14 C14_14 110.9(7) . . ?
O13_14 C14_14 H14_14 108.6 . . ?
O13_14 C14_14 C15_14 106.4(7) . . ?
O13_14 C14_14 C17_14 109.5(9) . . ?
C15_14 C14_14 H14_14 108.6 . . ?
C17_14 C14_14 H14_14 108.6 . . ?
C17_14 C14_14 C15_14 115.0(10) . . ?
C14_14 C15_14 H15A_14 110.0 . . ?
C14_14 C15_14 H15_14 112.8 . . ?
C14_14 C15_14 C16_14 100.3(8) . . ?
C16_14 C15_14 H15A_14 110.0 . . ?
C16_14 C15_14 H15_14 112.8 . . ?
O26_14^p C15_14 C14_14 109.2(11) . . ?
O26_14^p C15_14 H15A_14 110.0 . . ?
O26_14^p C15_14 C16_14 116.8(14) . . ?
O26_14^b C15_14 C14_14 107.3(11) . . ?
O26_14^b C15_14 H15_14 112.8 . . ?
O26_14^b C15_14 C16_14 110.1(10) . . ?
C12_14 C16_14 C15_14 101.4(7) . . ?
C12_14 C16_14 H16A_14 111.5 . . ?
C12_14 C16_14 H16B_14 111.5 . . ?
C15_14 C16_14 H16A_14 111.5 . . ?
C15_14 C16_14 H16B_14 111.5 . . ?
H16A_14 C16_14 H16B_14 109.3 . . ?
C14_14 C17_14 H17A_14 110.0 . . ?
C14_14 C17_14 H17B_14 110.0 . . ?
H17A_14 C17_14 H17B_14 108.4 . . ?
O18_14 C17_14 C14_14 108.5(10) . . ?
O18_14 C17_14 H17A_14 110.0 . . ?
O18_14 C17_14 H17B_14 110.0 . . ?
C17_14 O18_14 Si19_14 125.3(9) . . ?
O18_14 Si19_14 C20_14 103.6(8) . . ?
O18_14 Si19_14 C21_14 112.3(9) . . ?
O18_14 Si19_14 C22_14 111.6(7) . . ?
C21_14 Si19_14 C20_14 109.9(9) . . ?
C22_14 Si19_14 C20_14 109.9(8) . . ?
C22_14 Si19_14 C21_14 109.3(9) . . ?
Si19_14 C20_14 H20A_14 109.5 . . ?
Si19_14 C20_14 H20B_14 109.5 . . ?
Si19_14 C20_14 H20C_14 109.5 . . ?
H20A_14 C20_14 H20B_14 109.5 . . ?
H20A_14 C20_14 H20C_14 109.5 . . ?
H20B_14 C20_14 H20C_14 109.5 . . ?
Si19_14 C21_14 H21A_14 109.5 . . ?
Si19_14 C21_14 H21B_14 109.5 . . ?
Si19_14 C21_14 H21C_14 109.5 . . ?
H21A_14 C21_14 H21B_14 109.5 . . ?
H21A_14 C21_14 H21C_14 109.5 . . ?
H21B_14 C21_14 H21C_14 109.5 . . ?
C23_14 C22_14 Si19_14 106.8(12) . . ?
C23_14 C22_14 C24_14 109.5(15) . . ?
C23_14 C22_14 C25_14 111.6(16) . . ?
C24_14 C22_14 Si19_14 109.2(11) . . ?
C25_14 C22_14 Si19_14 112.3(12) . . ?
C25_14 C22_14 C24_14 107.4(15) . . ?
C22_14 C23_14 H23A_14 109.5 . . ?
C22_14 C23_14 H23B_14 109.5 . . ?
C22_14 C23_14 H23C_14 109.5 . . ?
H23A_14 C23_14 H23B_14 109.5 . . ?
H23A_14 C23_14 H23C_14 109.5 . . ?
H23B_14 C23_14 H23C_14 109.5 . . ?
C22_14 C24_14 H24A_14 109.5 . . ?
C22_14 C24_14 H24B_14 109.5 . . ?
C22_14 C24_14 H24C_14 109.5 . . ?
H24A_14 C24_14 H24B_14 109.5 . . ?
H24A_14 C24_14 H24C_14 109.5 . . ?
H24B_14 C24_14 H24C_14 109.5 . . ?
C22_14 C25_14 H25A_14 109.5 . . ?
C22_14 C25_14 H25B_14 109.5 . . ?
C22_14 C25_14 H25C_14 109.5 . . ?
H25A_14 C25_14 H25B_14 109.5 . . ?
H25A_14 C25_14 H25C_14 109.5 . . ?
H25B_14 C25_14 H25C_14 109.5 . . ?
C15_14 O26_14^p Si27_14^p 130.4(15) . . ?
O26_14^p Si27_14^p C28_14^p 102.9(12) . . ?
O26_14^p Si27_14^p C29_14^p 110.6(13) . . ?
O26_14^p Si27_14^p C30_14^p 107.9(12) . . ?
C29_14^p Si27_14^p C28_14^p 107.8(13) . . ?
C30_14^p Si27_14^p C28_14^p 110.9(13) . . ?
C30_14^p Si27_14^p C29_14^p 116.0(14) . . ?
Si27_14^p C28_14^p H28A_14 109.5 . . ?
Si27_14^p C28_14^p H28B_14 109.5 . . ?
Si27_14^p C28_14^p H28C_14 109.5 . . ?
H28A_14 C28_14^p H28B_14 109.5 . . ?
H28A_14 C28_14^p H28C_14 109.5 . . ?
H28B_14 C28_14^p H28C_14 109.5 . . ?
Si27_14^p C29_14^p H29A_14 109.5 . . ?
Si27_14^p C29_14^p H29B_14 109.5 . . ?
Si27_14^p C29_14^p H29C_14 109.5 . . ?
H29A_14 C29_14^p H29B_14 109.5 . . ?
H29A_14 C29_14^p H29C_14 109.5 . . ?
H29B_14 C29_14^p H29C_14 109.5 . . ?
C31_14^p C30_14^p Si27_14^p 111.3(16) . . ?
C31_14^p C30_14^p C33_14^p 106.5(17) . . ?
C32_14^p C30_14^p Si27_14^p 111.7(16) . . ?
C32_14^p C30_14^p C31_14^p 109.1(18) . . ?
C32_14^p C30_14^p C33_14^p 107.8(17) . . ?
C33_14^p C30_14^p Si27_14^p 110.3(16) . . ?
C30_14^p C31_14^p H31A_14 109.5 . . ?
C30_14^p C31_14^p H31B_14 109.5 . . ?
C30_14^p C31_14^p H31C_14 109.5 . . ?
H31A_14 C31_14^p H31B_14 109.5 . . ?
H31A_14 C31_14^p H31C_14 109.5 . . ?
H31B_14 C31_14^p H31C_14 109.5 . . ?
C30_14^p C32_14^p H32A_14 109.5 . . ?
C30_14^p C32_14^p H32B_14 109.5 . . ?
C30_14^p C32_14^p H32C_14 109.5 . . ?
H32A_14 C32_14^p H32B_14 109.5 . . ?
H32A_14 C32_14^p H32C_14 109.5 . . ?
H32B_14 C32_14^p H32C_14 109.5 . . ?
C30_14^p C33_14^p H33A_14 109.5 . . ?
C30_14^p C33_14^p H33B_14 109.5 . . ?
C30_14^p C33_14^p H33C_14 109.5 . . ?
H33A_14 C33_14^p H33B_14 109.5 . . ?
H33A_14 C33_14^p H33C_14 109.5 . . ?
H33B_14 C33_14^p H33C_14 109.5 . . ?
C15_14 O26_14^b Si27_14^b 123.5(12) . . ?
O26_14^b Si27_14^b C28_14^b 110.1(11) . . ?
O26_14^b Si27_14^b C29_14^b 103.9(10) . . ?
O26_14^b Si27_14^b C30_14^b 108.4(10) . . ?
C28_14^b Si27_14^b C29_14^b 107.7(12) . . ?
C30_14^b Si27_14^b C28_14^b 114.0(11) . . ?
C30_14^b Si27_14^b C29_14^b 112.3(10) . . ?
Si27_14^b C28_14^b H28D_14 109.5 . . ?
Si27_14^b C28_14^b H28E_14 109.5 . . ?
Si27_14^b C28_14^b H28F_14 109.5 . . ?
H28D_14 C28_14^b H28E_14 109.5 . . ?
H28D_14 C28_14^b H28F_14 109.5 . . ?
H28E_14 C28_14^b H28F_14 109.5 . . ?
Si27_14^b C29_14^b H29D_14 109.5 . . ?
Si27_14^b C29_14^b H29E_14 109.5 . . ?
Si27_14^b C29_14^b H29F_14 109.5 . . ?
H29D_14 C29_14^b H29E_14 109.5 . . ?
H29D_14 C29_14^b H29F_14 109.5 . . ?
H29E_14 C29_14^b H29F_14 109.5 . . ?
C31_14^b C30_14^b Si27_14^b 113.7(14) . . ?
C31_14^b C30_14^b C32_14^b 110.4(16) . . ?
C31_14^b C30_14^b C33_14^b 108.9(16) . . ?
C32_14^b C30_14^b Si27_14^b 110.3(14) . . ?
C32_14^b C30_14^b C33_14^b 103.0(16) . . ?
C33_14^b C30_14^b Si27_14^b 109.9(15) . . ?
C30_14^b C31_14^b H31D_14 109.5 . . ?
C30_14^b C31_14^b H31E_14 109.5 . . ?
C30_14^b C31_14^b H31F_14 109.5 . . ?
H31D_14 C31_14^b H31E_14 109.5 . . ?
H31D_14 C31_14^b H31F_14 109.5 . . ?
H31E_14 C31_14^b H31F_14 109.5 . . ?
C30_14^b C32_14^b H32D_14 109.5 . . ?
C30_14^b C32_14^b H32E_14 109.5 . . ?
C30_14^b C32_14^b H32F_14 109.5 . . ?
H32D_14 C32_14^b H32E_14 109.5 . . ?
H32D_14 C32_14^b H32F_14 109.5 . . ?
H32E_14 C32_14^b H32F_14 109.5 . . ?
C30_14^b C33_14^b H33D_14 109.5 . . ?
C30_14^b C33_14^b H33E_14 109.5 . . ?
C30_14^b C33_14^b H33F_14 109.5 . . ?
H33D_14 C33_14^b H33E_14 109.5 . . ?
H33D_14 C33_14^b H33F_14 109.5 . . ?
H33E_14 C33_14^b H33F_14 109.5 . . ?
C4_15 O1_15 Cs3_3 136.0(6) . . ?
H2A_15 N2_15 H2B_15 120.0 . . ?
C6_15 N2_15 H2A_15 120.0 . . ?
C6_15 N2_15 H2B_15 120.0 . . ?
C11_15 N3_15 C4_15 112.9(8) . . ?
O1_15 C4_15 N3_15 121.6(8) . . ?
O1_15 C4_15 N5_15 117.3(8) . . ?
N5_15 C4_15 N3_15 121.1(9) . . ?
C4_15 N5_15 H5_15 117.3 . . ?
C4_15 N5_15 C6_15 125.4(8) . . ?
C6_15 N5_15 H5_15 117.3 . . ?
N2_15 C6_15 N5_15 119.5(8) . . ?
N2_15 C6_15 C7_15 126.1(9) . . ?
N5_15 C6_15 C7_15 114.3(8) . . ?
C6_15 C7_15 N8_15 131.4(8) . . ?
C6_15 C7_15 C11_15 116.9(8) . . ?
C11_15 C7_15 N8_15 111.7(8) . . ?
C9_15 N8_15 C7_15 102.7(8) . . ?
N8_15 C9_15 H9_15 122.7 . . ?
N8_15 C9_15 N10_15 114.5(9) . . ?
N10_15 C9_15 H9_15 122.7 . . ?
C9_15 N10_15 C11_15 106.2(7) . . ?
C9_15 N10_15 C12_15 130.0(7) . . ?
C11_15 N10_15 C12_15 123.8(7) . . ?
N3_15 C11_15 C7_15 129.3(8) . . ?
N3_15 C11_15 N10_15 125.7(8) . . ?
N10_15 C11_15 C7_15 104.9(8) . . ?
N10_15 C12_15 H12_15 108.8 . . ?
N10_15 C12_15 C16_15 114.3(8) . . ?
O13_15 C12_15 N10_15 109.2(7) . . ?
O13_15 C12_15 H12_15 108.8 . . ?
O13_15 C12_15 C16_15 106.9(7) . . ?
C16_15 C12_15 H12_15 108.8 . . ?
C12_15 O13_15 C14_15 110.3(7) . . ?
O13_15 C14_15 H14_15 108.3 . . ?
O13_15 C14_15 C15_15 107.4(7) . . ?
O13_15 C14_15 C17_15 108.9(8) . . ?
C15_15 C14_15 H14_15 108.3 . . ?
C17_15 C14_15 H14_15 108.3 . . ?
C17_15 C14_15 C15_15 115.5(9) . . ?
C14_15 C15_15 H15_15 110.9 . . ?
C16_15 C15_15 C14_15 102.5(7) . . ?
C16_15 C15_15 H15_15 110.9 . . ?
O26_15 C15_15 C14_15 110.5(8) . . ?
O26_15 C15_15 H15_15 110.9 . . ?
O26_15 C15_15 C16_15 110.8(7) . . ?
C12_15 C16_15 C15_15 103.0(7) . . ?
C12_15 C16_15 H16A_15 111.2 . . ?
C12_15 C16_15 H16B_15 111.2 . . ?
C15_15 C16_15 H16A_15 111.2 . . ?
C15_15 C16_15 H16B_15 111.2 . . ?
H16A_15 C16_15 H16B_15 109.1 . . ?
C14_15 C17_15 H17A_15 109.7 . . ?
C14_15 C17_15 H17B_15 109.7 . . ?
C14_15 C17_15 H17C_15 109.4 . . ?
C14_15 C17_15 H17D_15 109.4 . . ?
H17A_15 C17_15 H17B_15 108.2 . . ?
H17C_15 C17_15 H17D_15 108.0 . . ?
O18_15^a C17_15 C14_15 110.0(10) . . ?
O18_15^a C17_15 H17A_15 109.7 . . ?
O18_15^a C17_15 H17B_15 109.7 . . ?
O18_15^b C17_15 C14_15 111.4(12) . . ?
O18_15^b C17_15 H17C_15 109.4 . . ?
O18_15^b C17_15 H17D_15 109.4 . . ?
C17_15 O18_15^a Si19_15^a 118.5(12) . . ?
O18_15^a Si19_15^a C20_15^a 110.4(12) . . ?
O18_15^a Si19_15^a C21_15^a 109.0(11) . . ?
O18_15^a Si19_15^a C22_15^a 103.4(8) . . ?
C20_15^a Si19_15^a C22_15^a 110.9(10) . . ?
C21_15^a Si19_15^a C20_15^a 111.3(13) . . ?
C21_15^a Si19_15^a C22_15^a 111.7(12) . . ?
Si19_15^a C20_15^a H20A_15 109.5 . . ?
Si19_15^a C20_15^a H20B_15 109.5 . . ?
Si19_15^a C20_15^a H20C_15 109.5 . . ?
H20A_15 C20_15^a H20B_15 109.5 . . ?
H20A_15 C20_15^a H20C_15 109.5 . . ?
H20B_15 C20_15^a H20C_15 109.5 . . ?
Si19_15^a C21_15^a H21A_15 109.5 . . ?
Si19_15^a C21_15^a H21B_15 109.5 . . ?
Si19_15^a C21_15^a H21C_15 109.5 . . ?
H21A_15 C21_15^a H21B_15 109.5 . . ?
H21A_15 C21_15^a H21C_15 109.5 . . ?
H21B_15 C21_15^a H21C_15 109.5 . . ?
C23_15^a C22_15^a Si19_15^a 108.2(13) . . ?
C23_15^a C22_15^a C24_15^a 108.6(16) . . ?
C23_15^a C22_15^a C25_15^a 109.5(16) . . ?
C24_15^a C22_15^a Si19_15^a 111.3(15) . . ?
C25_15^a C22_15^a Si19_15^a 110.2(13) . . ?
C25_15^a C22_15^a C24_15^a 109.0(16) . . ?
C22_15^a C23_15^a H23A_15 109.5 . . ?
C22_15^a C23_15^a H23B_15 109.5 . . ?
C22_15^a C23_15^a H23C_15 109.5 . . ?
H23A_15 C23_15^a H23B_15 109.5 . . ?
H23A_15 C23_15^a H23C_15 109.5 . . ?
H23B_15 C23_15^a H23C_15 109.5 . . ?
C22_15^a C24_15^a H24A_15 109.5 . . ?
C22_15^a C24_15^a H24B_15 109.5 . . ?
C22_15^a C24_15^a H24C_15 109.5 . . ?
H24A_15 C24_15^a H24B_15 109.5 . . ?
H24A_15 C24_15^a H24C_15 109.5 . . ?
H24B_15 C24_15^a H24C_15 109.5 . . ?
C22_15^a C25_15^a H25A_15 109.5 . . ?
C22_15^a C25_15^a H25B_15 109.5 . . ?
C22_15^a C25_15^a H25C_15 109.5 . . ?
H25A_15 C25_15^a H25B_15 109.5 . . ?
H25A_15 C25_15^a H25C_15 109.5 . . ?
H25B_15 C25_15^a H25C_15 109.5 . . ?
C17_15 O18_15^b Si19_15^b 121.2(15) . . ?
O18_15^b Si19_15^b C20_15^b 109.5(14) . . ?
O18_15^b Si19_15^b C21_15^b 109.2(13) . . ?
O18_15^b Si19_15^b C22_15^b 103.6(11) . . ?
C20_15^b Si19_15^b C21_15^b 111.9(13) . . ?
C20_15^b Si19_15^b C22_15^b 111.0(13) . . ?
C21_15^b Si19_15^b C22_15^b 111.2(13) . . ?
Si19_15^b C20_15^b H20D_15 109.5 . . ?
Si19_15^b C20_15^b H20E_15 109.5 . . ?
Si19_15^b C20_15^b H20F_15 109.5 . . ?
H20D_15 C20_15^b H20E_15 109.5 . . ?
H20D_15 C20_15^b H20F_15 109.5 . . ?
H20E_15 C20_15^b H20F_15 109.5 . . ?
Si19_15^b C21_15^b H21D_15 109.5 . . ?
Si19_15^b C21_15^b H21E_15 109.5 . . ?
Si19_15^b C21_15^b H21F_15 109.5 . . ?
H21D_15 C21_15^b H21E_15 109.5 . . ?
H21D_15 C21_15^b H21F_15 109.5 . . ?
H21E_15 C21_15^b H21F_15 109.5 . . ?
C23_15^b C22_15^b Si19_15^b 110.0(16) . . ?
C23_15^b C22_15^b C24_15^b 109.3(17) . . ?
C23_15^b C22_15^b C25_15^b 110.3(18) . . ?
C24_15^b C22_15^b Si19_15^b 108.8(15) . . ?
C25_15^b C22_15^b Si19_15^b 108.6(15) . . ?
C25_15^b C22_15^b C24_15^b 109.8(18) . . ?
C22_15^b C23_15^b H23D_15 109.5 . . ?
C22_15^b C23_15^b H23E_15 109.5 . . ?
C22_15^b C23_15^b H23F_15 109.5 . . ?
H23D_15 C23_15^b H23E_15 109.5 . . ?
H23D_15 C23_15^b H23F_15 109.5 . . ?
H23E_15 C23_15^b H23F_15 109.5 . . ?
C22_15^b C24_15^b H24D_15 109.5 . . ?
C22_15^b C24_15^b H24E_15 109.5 . . ?
C22_15^b C24_15^b H24F_15 109.5 . . ?
H24D_15 C24_15^b H24E_15 109.5 . . ?
H24D_15 C24_15^b H24F_15 109.5 . . ?
H24E_15 C24_15^b H24F_15 109.5 . . ?
C22_15^b C25_15^b H25D_15 109.5 . . ?
C22_15^b C25_15^b H25E_15 109.5 . . ?
C22_15^b C25_15^b H25F_15 109.5 . . ?
H25D_15 C25_15^b H25E_15 109.5 . . ?
H25D_15 C25_15^b H25F_15 109.5 . . ?
H25E_15 C25_15^b H25F_15 109.5 . . ?
C15_15 O26_15 Si27_15 126.4(6) . . ?
O26_15 Si27_15 C28_15 108.8(6) . . ?
O26_15 Si27_15 C29_15 110.5(6) . . ?
O26_15 Si27_15 C30_15 104.7(5) . . ?
C28_15 Si27_15 C29_15 110.0(7) . . ?
C28_15 Si27_15 C30_15 112.7(7) . . ?
C29_15 Si27_15 C30_15 110.0(7) . . ?
Si27_15 C28_15 H28A_15 109.5 . . ?
Si27_15 C28_15 H28B_15 109.5 . . ?
Si27_15 C28_15 H28C_15 109.5 . . ?
H28A_15 C28_15 H28B_15 109.5 . . ?
H28A_15 C28_15 H28C_15 109.5 . . ?
H28B_15 C28_15 H28C_15 109.5 . . ?
Si27_15 C29_15 H29A_15 109.5 . . ?
Si27_15 C29_15 H29B_15 109.5 . . ?
Si27_15 C29_15 H29C_15 109.5 . . ?
H29A_15 C29_15 H29B_15 109.5 . . ?
H29A_15 C29_15 H29C_15 109.5 . . ?
H29B_15 C29_15 H29C_15 109.5 . . ?
C31_15 C30_15 Si27_15 109.0(9) . . ?
C31_15 C30_15 C32_15 108.3(14) . . ?
C31_15 C30_15 C33_15 111.2(13) . . ?
C32_15 C30_15 Si27_15 107.9(10) . . ?
C33_15 C30_15 Si27_15 110.1(11) . . ?
C33_15 C30_15 C32_15 110.2(14) . . ?
C30_15 C31_15 H31A_15 109.5 . . ?
C30_15 C31_15 H31B_15 109.5 . . ?
C30_15 C31_15 H31C_15 109.5 . . ?
H31A_15 C31_15 H31B_15 109.5 . . ?
H31A_15 C31_15 H31C_15 109.5 . . ?
H31B_15 C31_15 H31C_15 109.5 . . ?
C30_15 C32_15 H32A_15 109.5 . . ?
C30_15 C32_15 H32B_15 109.5 . . ?
C30_15 C32_15 H32C_15 109.5 . . ?
H32A_15 C32_15 H32B_15 109.5 . . ?
H32A_15 C32_15 H32C_15 109.5 . . ?
H32B_15 C32_15 H32C_15 109.5 . . ?
C30_15 C33_15 H33A_15 109.5 . . ?
C30_15 C33_15 H33B_15 109.5 . . ?
C30_15 C33_15 H33C_15 109.5 . . ?
H33A_15 C33_15 H33B_15 109.5 . . ?
H33A_15 C33_15 H33C_15 109.5 . . ?
H33B_15 C33_15 H33C_15 109.5 . . ?
Cs2_2 O1_16 Cs3_3 65.99(11) . . ?
C4_16 O1_16 Cs2_2 131.4(6) . . ?
C4_16 O1_16 Cs3_3 128.7(6) . . ?
H2A_16 N2_16 H2B_16 120.0 . . ?
C6_16 N2_16 H2A_16 120.0 . . ?
C6_16 N2_16 H2B_16 120.0 . . ?
C4_16 N3_16 C11_16 113.2(7) . . ?
O1_16 C4_16 N3_16 123.3(8) . . ?
O1_16 C4_16 N5_16 115.1(7) . . ?
N3_16 C4_16 N5_16 121.6(8) . . ?
C4_16 N5_16 H5_16 117.7 . . ?
C6_16 N5_16 C4_16 124.6(7) . . ?
C6_16 N5_16 H5_16 117.7 . . ?
N2_16 C6_16 N5_16 118.8(7) . . ?
N2_16 C6_16 C7_16 127.4(8) . . ?
N5_16 C6_16 C7_16 113.8(7) . . ?
C6_16 C7_16 N8_16 131.1(7) . . ?
C11_16 C7_16 C6_16 118.2(7) . . ?
C11_16 C7_16 N8_16 110.7(7) . . ?
C9_16 N8_16 C7_16 103.2(7) . . ?
N8_16 C9_16 H9_16 122.3 . . ?
N8_16 C9_16 N10_16 115.3(7) . . ?
N10_16 C9_16 H9_16 122.3 . . ?
C9_16 N10_16 C11_16 105.4(6) . . ?
C9_16 N10_16 C12_16 129.2(7) . . ?
C11_16 N10_16 C12_16 125.0(7) . . ?
N3_16 C11_16 C7_16 128.5(7) . . ?
N3_16 C11_16 N10_16 126.0(7) . . ?
C7_16 C11_16 N10_16 105.4(7) . . ?
N10_16 C12_16 H12_16 109.3 . . ?
N10_16 C12_16 C16_16 114.4(7) . . ?
O13_16 C12_16 N10_16 107.0(6) . . ?
O13_16 C12_16 H12_16 109.3 . . ?
O13_16 C12_16 C16_16 107.4(6) . . ?
C16_16 C12_16 H12_16 109.3 . . ?
C12_16 O13_16 C14_16 109.5(6) . . ?
O13_16 C14_16 H14_16 108.5 . . ?
O13_16 C14_16 C15_16 104.9(6) . . ?
O13_16 C14_16 C17_16 109.8(8) . . ?
C15_16 C14_16 H14_16 108.5 . . ?
C17_16 C14_16 H14_16 108.5 . . ?
C17_16 C14_16 C15_16 116.3(8) . . ?
C14_16 C15_16 H15_16 110.4 . . ?
C14_16 C15_16 C16_16 101.6(6) . . ?
C16_16 C15_16 H15_16 110.4 . . ?
O26_16 C15_16 C14_16 108.7(7) . . ?
O26_16 C15_16 H15_16 110.4 . . ?
O26_16 C15_16 C16_16 115.0(8) . . ?
C12_16 C16_16 C15_16 103.3(6) . . ?
C12_16 C16_16 H16A_16 111.1 . . ?
C12_16 C16_16 H16B_16 111.1 . . ?
C15_16 C16_16 H16A_16 111.1 . . ?
C15_16 C16_16 H16B_16 111.1 . . ?
H16A_16 C16_16 H16B_16 109.1 . . ?
C14_16 C17_16 H17A_16 110.2 . . ?
C14_16 C17_16 H17B_16 110.2 . . ?
C14_16 C17_16 H17C_16 106.9 . . ?
C14_16 C17_16 H17D_16 106.9 . . ?
H17A_16 C17_16 H17B_16 108.5 . . ?
H17C_16 C17_16 H17D_16 106.7 . . ?
O18_16^a C17_16 C14_16 107.4(9) . . ?
O18_16^a C17_16 H17A_16 110.2 . . ?
O18_16^a C17_16 H17B_16 110.2 . . ?
O18_16^b C17_16 C14_16 121.8(12) . . ?
O18_16^b C17_16 H17C_16 106.9 . . ?
O18_16^b C17_16 H17D_16 106.9 . . ?
C17_16 O18_16^a Si19_16^a 131.6(9) . . ?
O18_16^a Si19_16^a C20_16^a 108.2(8) . . ?
O18_16^a Si19_16^a C21_16^a 106.8(9) . . ?
O18_16^a Si19_16^a C22_16^a 107.0(7) . . ?
C21_16^a Si19_16^a C20_16^a 108.6(10) . . ?
C22_16^a Si19_16^a C20_16^a 111.9(8) . . ?
C22_16^a Si19_16^a C21_16^a 114.1(8) . . ?
Si19_16^a C20_16^a H20A_16 109.5 . . ?
Si19_16^a C20_16^a H20B_16 109.5 . . ?
Si19_16^a C20_16^a H20C_16 109.5 . . ?
H20A_16 C20_16^a H20B_16 109.5 . . ?
H20A_16 C20_16^a H20C_16 109.5 . . ?
H20B_16 C20_16^a H20C_16 109.5 . . ?
Si19_16^a C21_16^a H21A_16 109.5 . . ?
Si19_16^a C21_16^a H21B_16 109.5 . . ?
Si19_16^a C21_16^a H21C_16 109.5 . . ?
H21A_16 C21_16^a H21B_16 109.5 . . ?
H21A_16 C21_16^a H21C_16 109.5 . . ?
H21B_16 C21_16^a H21C_16 109.5 . . ?
C23_16^a C22_16^a Si19_16^a 109.9(11) . . ?
C23_16^a C22_16^a C24_16^a 107.7(15) . . ?
C24_16^a C22_16^a Si19_16^a 110.5(12) . . ?
C25_16^a C22_16^a Si19_16^a 111.4(12) . . ?
C25_16^a C22_16^a C23_16^a 110.0(15) . . ?
C25_16^a C22_16^a C24_16^a 107.2(15) . . ?
C22_16^a C23_16^a H23A_16 109.5 . . ?
C22_16^a C23_16^a H23B_16 109.5 . . ?
C22_16^a C23_16^a H23C_16 109.5 . . ?
H23A_16 C23_16^a H23B_16 109.5 . . ?
H23A_16 C23_16^a H23C_16 109.5 . . ?
H23B_16 C23_16^a H23C_16 109.5 . . ?
C22_16^a C24_16^a H24A_16 109.5 . . ?
C22_16^a C24_16^a H24B_16 109.5 . . ?
C22_16^a C24_16^a H24C_16 109.5 . . ?
H24A_16 C24_16^a H24B_16 109.5 . . ?
H24A_16 C24_16^a H24C_16 109.5 . . ?
H24B_16 C24_16^a H24C_16 109.5 . . ?
C22_16^a C25_16^a H25A_16 109.5 . . ?
C22_16^a C25_16^a H25B_16 109.5 . . ?
C22_16^a C25_16^a H25C_16 109.5 . . ?
H25A_16 C25_16^a H25B_16 109.5 . . ?
H25A_16 C25_16^a H25C_16 109.5 . . ?
H25B_16 C25_16^a H25C_16 109.5 . . ?
C17_16 O18_16^b Si19_16^b 108.8(11) . . ?
O18_16^b Si19_16^b C20_16^b 110.3(14) . . ?
O18_16^b Si19_16^b C21_16^b 111.7(14) . . ?
O18_16^b Si19_16^b C22_16^b 99.8(10) . . ?
C20_16^b Si19_16^b C22_16^b 110.9(13) . . ?
C21_16^b Si19_16^b C20_16^b 108.6(14) . . ?
C21_16^b Si19_16^b C22_16^b 115.3(14) . . ?
Si19_16^b C20_16^b H20D_16 109.5 . . ?
Si19_16^b C20_16^b H20E_16 109.5 . . ?
Si19_16^b C20_16^b H20F_16 109.5 . . ?
H20D_16 C20_16^b H20E_16 109.5 . . ?
H20D_16 C20_16^b H20F_16 109.5 . . ?
H20E_16 C20_16^b H20F_16 109.5 . . ?
Si19_16^b C21_16^b H21D_16 109.5 . . ?
Si19_16^b C21_16^b H21E_16 109.5 . . ?
Si19_16^b C21_16^b H21F_16 109.5 . . ?
H21D_16 C21_16^b H21E_16 109.5 . . ?
H21D_16 C21_16^b H21F_16 109.5 . . ?
H21E_16 C21_16^b H21F_16 109.5 . . ?
C23_16^b C22_16^b Si19_16^b 107.0(16) . . ?
C24_16^b C22_16^b Si19_16^b 113.2(16) . . ?
C24_16^b C22_16^b C23_16^b 108.0(18) . . ?
C24_16^b C22_16^b C25_16^b 112.7(18) . . ?
C25_16^b C22_16^b Si19_16^b 106.8(15) . . ?
C25_16^b C22_16^b C23_16^b 109.0(18) . . ?
C22_16^b C23_16^b H23D_16 109.5 . . ?
C22_16^b C23_16^b H23E_16 109.5 . . ?
C22_16^b C23_16^b H23F_16 109.5 . . ?
H23D_16 C23_16^b H23E_16 109.5 . . ?
H23D_16 C23_16^b H23F_16 109.5 . . ?
H23E_16 C23_16^b H23F_16 109.5 . . ?
C22_16^b C24_16^b H24D_16 109.5 . . ?
C22_16^b C24_16^b H24E_16 109.5 . . ?
C22_16^b C24_16^b H24F_16 109.5 . . ?
H24D_16 C24_16^b H24E_16 109.5 . . ?
H24D_16 C24_16^b H24F_16 109.5 . . ?
H24E_16 C24_16^b H24F_16 109.5 . . ?
C22_16^b C25_16^b H25D_16 109.5 . . ?
C22_16^b C25_16^b H25E_16 109.5 . . ?
C22_16^b C25_16^b H25F_16 109.5 . . ?
H25D_16 C25_16^b H25E_16 109.5 . . ?
H25D_16 C25_16^b H25F_16 109.5 . . ?
H25E_16 C25_16^b H25F_16 109.5 . . ?
C15_16 O26_16 Si27_16 126.4(6) . . ?
O26_16 Si27_16 C28_16 109.0(6) . . ?
O26_16 Si27_16 C29_16 109.8(7) . . ?
O26_16 Si27_16 C30_16 102.6(5) . . ?
C28_16 Si27_16 C29_16 111.2(9) . . ?
C28_16 Si27_16 C30_16 111.2(6) . . ?
C29_16 Si27_16 C30_16 112.7(8) . . ?
Si27_16 C28_16 H28A_16 109.5 . . ?
Si27_16 C28_16 H28B_16 109.5 . . ?
Si27_16 C28_16 H28C_16 109.5 . . ?
H28A_16 C28_16 H28B_16 109.5 . . ?
H28A_16 C28_16 H28C_16 109.5 . . ?
H28B_16 C28_16 H28C_16 109.5 . . ?
Si27_16 C29_16 H29A_16 109.5 . . ?
Si27_16 C29_16 H29B_16 109.5 . . ?
Si27_16 C29_16 H29C_16 109.5 . . ?
H29A_16 C29_16 H29B_16 109.5 . . ?
H29A_16 C29_16 H29C_16 109.5 . . ?
H29B_16 C29_16 H29C_16 109.5 . . ?
C31_16 C30_16 Si27_16 110.3(8) . . ?
C31_16 C30_16 C32_16 109.4(13) . . ?
C31_16 C30_16 C33_16 110.0(12) . . ?
C32_16 C30_16 Si27_16 108.2(9) . . ?
C33_16 C30_16 Si27_16 109.5(11) . . ?
C33_16 C30_16 C32_16 109.4(13) . . ?
C30_16 C31_16 H31A_16 109.5 . . ?
C30_16 C31_16 H31B_16 109.5 . . ?
C30_16 C31_16 H31C_16 109.5 . . ?
H31A_16 C31_16 H31B_16 109.5 . . ?
H31A_16 C31_16 H31C_16 109.5 . . ?
H31B_16 C31_16 H31C_16 109.5 . . ?
C30_16 C32_16 H32A_16 109.5 . . ?
C30_16 C32_16 H32B_16 109.5 . . ?
C30_16 C32_16 H32C_16 109.5 . . ?
H32A_16 C32_16 H32B_16 109.5 . . ?
H32A_16 C32_16 H32C_16 109.5 . . ?
H32B_16 C32_16 H32C_16 109.5 . . ?
C30_16 C33_16 H33A_16 109.5 . . ?
C30_16 C33_16 H33B_16 109.5 . . ?
C30_16 C33_16 H33C_16 109.5 . . ?
H33A_16 C33_16 H33B_16 109.5 . . ?
H33A_16 C33_16 H33C_16 109.5 . . ?
H33B_16 C33_16 H33C_16 109.5 . . ?
Cs2_2 O1_17 Cs3_3 63.99(12) . . ?
C4_17 O1_17 Cs2_2 135.9(6) . . ?
C4_17 O1_17 Cs3_3 126.8(7) . . ?
H2A_17 N2_17 H2B_17 120.0 . . ?
C6_17 N2_17 H2A_17 120.0 . . ?
C6_17 N2_17 H2B_17 120.0 . . ?
C4_17 N3_17 C11_17 114.0(8) . . ?
O1_17 C4_17 N3_17 122.9(9) . . ?
O1_17 C4_17 N5_17 117.3(9) . . ?
N3_17 C4_17 N5_17 119.8(9) . . ?
C4_17 N5_17 H5_17 117.3 . . ?
C6_17 N5_17 C4_17 125.5(8) . . ?
C6_17 N5_17 H5_17 117.3 . . ?
N2_17 C6_17 N5_17 119.1(8) . . ?
N2_17 C6_17 C7_17 125.1(8) . . ?
N5_17 C6_17 C7_17 115.8(8) . . ?
N8_17 C7_17 C6_17 131.7(8) . . ?
N8_17 C7_17 C11_17 113.1(8) . . ?
C11_17 C7_17 C6_17 115.1(8) . . ?
C9_17 N8_17 C7_17 103.1(8) . . ?
N8_17 C9_17 H9_17 123.4 . . ?
N8_17 C9_17 N10_17 113.3(9) . . ?
N10_17 C9_17 H9_17 123.4 . . ?
C9_17 N10_17 C11_17 106.0(8) . . ?
C9_17 N10_17 C12_17 126.8(9) . . ?
C11_17 N10_17 C12_17 126.9(9) . . ?
N3_17 C11_17 C7_17 129.7(8) . . ?
N3_17 C11_17 N10_17 125.8(9) . . ?
C7_17 C11_17 N10_17 104.4(8) . . ?
N10_17 C12_17 H12_17 106.7 . . ?
N10_17 C12_17 C16_17 116.8(10) . . ?
O13_17 C12_17 N10_17 109.5(8) . . ?
O13_17 C12_17 H12_17 106.7 . . ?
O13_17 C12_17 C16_17 110.0(8) . . ?
C16_17 C12_17 H12_17 106.7 . . ?
C12_17 O13_17 C14_17 106.4(8) . . ?
O13_17 C14_17 H14_17 109.8 . . ?
O13_17 C14_17 C15_17 105.7(8) . . ?
O13_17 C14_17 C17_17 107.8(10) . . ?
C15_17 C14_17 H14_17 109.8 . . ?
C17_17 C14_17 H14_17 109.8 . . ?
C17_17 C14_17 C15_17 114.0(11) . . ?
C14_17 C15_17 H15_17 109.3 . . ?
C14_17 C15_17 H15A_17 112.5 . . ?
C16_17 C15_17 C14_17 98.5(9) . . ?
C16_17 C15_17 H15_17 109.3 . . ?
C16_17 C15_17 H15A_17 112.5 . . ?
O26_17^a C15_17 C14_17 115.0(11) . . ?
O26_17^a C15_17 H15_17 109.3 . . ?
O26_17^a C15_17 C16_17 114.8(12) . . ?
O26_17^b C15_17 C14_17 103.7(10) . . ?
O26_17^b C15_17 H15A_17 112.5 . . ?
O26_17^b C15_17 C16_17 115.7(14) . . ?
C12_17 C16_17 H16A_17 111.5 . . ?
C12_17 C16_17 H16B_17 111.5 . . ?
C15_17 C16_17 C12_17 101.4(8) . . ?
C15_17 C16_17 H16A_17 111.5 . . ?
C15_17 C16_17 H16B_17 111.5 . . ?
H16A_17 C16_17 H16B_17 109.3 . . ?
C14_17 C17_17 H17A_17 109.9 . . ?
C14_17 C17_17 H17B_17 109.9 . . ?
H17A_17 C17_17 H17B_17 108.3 . . ?
O18_17 C17_17 C14_17 109.0(11) . . ?
O18_17 C17_17 H17A_17 109.9 . . ?
O18_17 C17_17 H17B_17 109.9 . . ?
C17_17 O18_17 Si19_17 119.7(10) . . ?
O18_17 Si19_17 C20_17 111.2(12) . . ?
O18_17 Si19_17 C21_17 106.9(11) . . ?
O18_17 Si19_17 C22_17 107.2(9) . . ?
C20_17 Si19_17 C21_17 109.3(12) . . ?
C20_17 Si19_17 C22_17 115.2(10) . . ?
C22_17 Si19_17 C21_17 106.5(12) . . ?
Si19_17 C20_17 H20A_17 109.5 . . ?
Si19_17 C20_17 H20B_17 109.5 . . ?
Si19_17 C20_17 H20C_17 109.5 . . ?
H20A_17 C20_17 H20B_17 109.5 . . ?
H20A_17 C20_17 H20C_17 109.5 . . ?
H20B_17 C20_17 H20C_17 109.5 . . ?
Si19_17 C21_17 H21A_17 109.5 . . ?
Si19_17 C21_17 H21B_17 109.5 . . ?
Si19_17 C21_17 H21C_17 109.5 . . ?
H21A_17 C21_17 H21B_17 109.5 . . ?
H21A_17 C21_17 H21C_17 109.5 . . ?
H21B_17 C21_17 H21C_17 109.5 . . ?
H23A_17 C23_17 H23B_17 109.5 . . ?
H23A_17 C23_17 H23C_17 109.5 . . ?
H23B_17 C23_17 H23C_17 109.5 . . ?
C22_17 C23_17 H23A_17 109.5 . . ?
C22_17 C23_17 H23B_17 109.5 . . ?
C22_17 C23_17 H23C_17 109.5 . . ?
C23_17 C22_17 Si19_17 104.2(14) . . ?
C23_17 C22_17 C24_17 112.8(17) . . ?
C23_17 C22_17 C25_17 114.6(17) . . ?
C24_17 C22_17 Si19_17 105.3(13) . . ?
C25_17 C22_17 Si19_17 105.9(11) . . ?
C25_17 C22_17 C24_17 112.9(16) . . ?
C22_17 C24_17 H24A_17 109.5 . . ?
C22_17 C24_17 H24B_17 109.5 . . ?
C22_17 C24_17 H24C_17 109.5 . . ?
H24A_17 C24_17 H24B_17 109.5 . . ?
H24A_17 C24_17 H24C_17 109.5 . . ?
H24B_17 C24_17 H24C_17 109.5 . . ?
C22_17 C25_17 H25A_17 109.5 . . ?
C22_17 C25_17 H25B_17 109.5 . . ?
C22_17 C25_17 H25C_17 109.5 . . ?
H25A_17 C25_17 H25B_17 109.5 . . ?
H25A_17 C25_17 H25C_17 109.5 . . ?
H25B_17 C25_17 H25C_17 109.5 . . ?
C15_17 O26_17^a Si27_17^a 128.3(13) . . ?
O26_17^a Si27_17^a C28_17^a 106.2(11) . . ?
O26_17^a Si27_17^a C29_17^a 111.1(11) . . ?
O26_17^a Si27_17^a C30_17^a 106.5(9) . . ?
C28_17^a Si27_17^a C30_17^a 110.1(9) . . ?
C29_17^a Si27_17^a C28_17^a 110.1(12) . . ?
C29_17^a Si27_17^a C30_17^a 112.6(12) . . ?
Si27_17^a C28_17^a H28A_17 109.5 . . ?
Si27_17^a C28_17^a H28B_17 109.5 . . ?
Si27_17^a C28_17^a H28C_17 109.5 . . ?
H28A_17 C28_17^a H28B_17 109.5 . . ?
H28A_17 C28_17^a H28C_17 109.5 . . ?
H28B_17 C28_17^a H28C_17 109.5 . . ?
Si27_17^a C29_17^a H29A_17 109.5 . . ?
Si27_17^a C29_17^a H29B_17 109.5 . . ?
Si27_17^a C29_17^a H29C_17 109.5 . . ?
H29A_17 C29_17^a H29B_17 109.5 . . ?
H29A_17 C29_17^a H29C_17 109.5 . . ?
H29B_17 C29_17^a H29C_17 109.5 . . ?
C31_17^a C30_17^a Si27_17^a 111.4(13) . . ?
C31_17^a C30_17^a C32_17^a 108.1(14) . . ?
C32_17^a C30_17^a Si27_17^a 110.4(12) . . ?
C33_17^a C30_17^a Si27_17^a 111.1(13) . . ?
C33_17^a C30_17^a C31_17^a 108.4(14) . . ?
C33_17^a C30_17^a C32_17^a 107.3(15) . . ?
C30_17^a C31_17^a H31A_17 109.5 . . ?
C30_17^a C31_17^a H31B_17 109.5 . . ?
C30_17^a C31_17^a H31C_17 109.5 . . ?
H31A_17 C31_17^a H31B_17 109.5 . . ?
H31A_17 C31_17^a H31C_17 109.5 . . ?
H31B_17 C31_17^a H31C_17 109.5 . . ?
C30_17^a C32_17^a H32A_17 109.5 . . ?
C30_17^a C32_17^a H32B_17 109.5 . . ?
C30_17^a C32_17^a H32C_17 109.5 . . ?
H32A_17 C32_17^a H32B_17 109.5 . . ?
H32A_17 C32_17^a H32C_17 109.5 . . ?
H32B_17 C32_17^a H32C_17 109.5 . . ?
C30_17^a C33_17^a H33A_17 109.5 . . ?
C30_17^a C33_17^a H33B_17 109.5 . . ?
C30_17^a C33_17^a H33C_17 109.5 . . ?
H33A_17 C33_17^a H33B_17 109.5 . . ?
H33A_17 C33_17^a H33C_17 109.5 . . ?
H33B_17 C33_17^a H33C_17 109.5 . . ?
C15_17 O26_17^b Si27_17^b 127.7(14) . . ?
O26_17^b Si27_17^b C28_17^b 108.8(12) . . ?
O26_17^b Si27_17^b C29_17^b 107.1(13) . . ?
O26_17^b Si27_17^b C30_17^b 107.8(11) . . ?
C28_17^b Si27_17^b C29_17^b 108.8(13) . . ?
C28_17^b Si27_17^b C30_17^b 113.4(13) . . ?
C30_17^b Si27_17^b C29_17^b 110.8(12) . . ?
Si27_17^b C28_17^b H28D_17 109.5 . . ?
Si27_17^b C28_17^b H28E_17 109.5 . . ?
Si27_17^b C28_17^b H28F_17 109.5 . . ?
H28D_17 C28_17^b H28E_17 109.5 . . ?
H28D_17 C28_17^b H28F_17 109.5 . . ?
H28E_17 C28_17^b H28F_17 109.5 . . ?
Si27_17^b C29_17^b H29D_17 109.5 . . ?
Si27_17^b C29_17^b H29E_17 109.5 . . ?
Si27_17^b C29_17^b H29F_17 109.5 . . ?
H29D_17 C29_17^b H29E_17 109.5 . . ?
H29D_17 C29_17^b H29F_17 109.5 . . ?
H29E_17 C29_17^b H29F_17 109.5 . . ?
C31_17^b C30_17^b Si27_17^b 111.0(15) . . ?
C31_17^b C30_17^b C32_17^b 109.7(17) . . ?
C31_17^b C30_17^b C33_17^b 108.6(17) . . ?
C32_17^b C30_17^b Si27_17^b 108.6(14) . . ?
C33_17^b C30_17^b Si27_17^b 110.7(15) . . ?
C33_17^b C30_17^b C32_17^b 108.2(16) . . ?
C30_17^b C31_17^b H31D_17 109.5 . . ?
C30_17^b C31_17^b H31E_17 109.5 . . ?
C30_17^b C31_17^b H31F_17 109.5 . . ?
H31D_17 C31_17^b H31E_17 109.5 . . ?
H31D_17 C31_17^b H31F_17 109.5 . . ?
H31E_17 C31_17^b H31F_17 109.5 . . ?
C30_17^b C32_17^b H32D_17 109.5 . . ?
C30_17^b C32_17^b H32E_17 109.5 . . ?
C30_17^b C32_17^b H32F_17 109.5 . . ?
H32D_17 C32_17^b H32E_17 109.5 . . ?
H32D_17 C32_17^b H32F_17 109.5 . . ?
H32E_17 C32_17^b H32F_17 109.5 . . ?
C30_17^b C33_17^b H33D_17 109.5 . . ?
C30_17^b C33_17^b H33E_17 109.5 . . ?
C30_17^b C33_17^b H33F_17 109.5 . . ?
H33D_17 C33_17^b H33E_17 109.5 . . ?
H33D_17 C33_17^b H33F_17 109.5 . . ?
H33E_17 C33_17^b H33F_17 109.5 . . ?
Cs2_2 O1_18 Cs3_3 65.30(14) . . ?
C4_18 O1_18 Cs2_2 136.0(7) . . ?
C4_18 O1_18 Cs3_3 129.7(7) . . ?
H2A_18 N2_18 H2B_18 120.0 . . ?
C6_18 N2_18 H2A_18 120.0 . . ?
C6_18 N2_18 H2B_18 120.0 . . ?
C11_18 N3_18 C4_18 110.4(10) . . ?
O1_18 C4_18 N3_18 121.3(10) . . ?
O1_18 C4_18 N5_18 118.1(9) . . ?
N3_18 C4_18 N5_18 120.6(11) . . ?
C4_18 N5_18 H5_18 117.2 . . ?
C6_18 N5_18 C4_18 125.6(9) . . ?
C6_18 N5_18 H5_18 117.2 . . ?
N2_18 C6_18 N5_18 119.7(10) . . ?
N2_18 C6_18 C7_18 125.3(11) . . ?
N5_18 C6_18 C7_18 114.8(11) . . ?
C6_18 C7_18 N8_18 129.1(12) . . ?
C11_18 C7_18 C6_18 116.2(11) . . ?
C11_18 C7_18 N8_18 114.6(11) . . ?
C9_18 N8_18 C7_18 99.1(12) . . ?
N8_18 C9_18 H9_18 122.2 . . ?
N10_18 C9_18 N8_18 115.7(12) . . ?
N10_18 C9_18 H9_18 122.2 . . ?
C9_18 N10_18 C11_18 105.9(10) . . ?
C9_18 N10_18 C12_18 132.0(11) . . ?
C11_18 N10_18 C12_18 121.3(13) . . ?
N3_18 C11_18 N10_18 123.4(12) . . ?
C7_18 C11_18 N3_18 132.0(10) . . ?
C7_18 C11_18 N10_18 104.5(12) . . ?
N10_18 C12_18 H12_18 105.6 . . ?
N10_18 C12_18 C16_18 114.3(15) . . ?
O13_18 C12_18 N10_18 112.9(13) . . ?
O13_18 C12_18 H12_18 105.6 . . ?
O13_18 C12_18 C16_18 111.9(11) . . ?
C16_18 C12_18 H12_18 105.6 . . ?
C12_18 O13_18 C14_18 108.4(11) . . ?
O13_18 C14_18 H14_18 108.8 . . ?
O13_18 C14_18 C15_18 107.2(10) . . ?
O13_18 C14_18 C17_18 112.0(15) . . ?
C15_18 C14_18 H14_18 108.8 . . ?
C17_18 C14_18 H14_18 108.8 . . ?
C17_18 C14_18 C15_18 111.1(15) . . ?
C14_18 C15_18 H15_18 107.9 . . ?
C14_18 C15_18 H15A_18 114.6 . . ?
C14_18 C15_18 C16_18 104.7(11) . . ?
C16_18 C15_18 H15_18 107.9 . . ?
C16_18 C15_18 H15A_18 114.6 . . ?
O26_18^a C15_18 C14_18 113.0(16) . . ?
O26_18^a C15_18 H15_18 107.9 . . ?
O26_18^a C15_18 C16_18 115.0(16) . . ?
O26_18^b C15_18 C14_18 97.0(16) . . ?
O26_18^b C15_18 H15A_18 114.6 . . ?
O26_18^b C15_18 C16_18 109.6(16) . . ?
C12_18 C16_18 C15_18 99.1(10) . . ?
C12_18 C16_18 H16A_18 111.9 . . ?
C12_18 C16_18 H16B_18 111.9 . . ?
C15_18 C16_18 H16A_18 111.9 . . ?
C15_18 C16_18 H16B_18 111.9 . . ?
H16A_18 C16_18 H16B_18 109.6 . . ?
C14_18 C17_18 H17A_18 109.0 . . ?
C14_18 C17_18 H17B_18 109.0 . . ?
C14_18 C17_18 H17C_18 111.1 . . ?
C14_18 C17_18 H17D_18 111.1 . . ?
H17A_18 C17_18 H17B_18 107.8 . . ?
H17C_18 C17_18 H17D_18 109.1 . . ?
O18_18^a C17_18 C14_18 113(2) . . ?
O18_18^a C17_18 H17A_18 109.0 . . ?
O18_18^a C17_18 H17B_18 109.0 . . ?
O18_18^b C17_18 C14_18 103.4(16) . . ?
O18_18^b C17_18 H17C_18 111.1 . . ?
O18_18^b C17_18 H17D_18 111.1 . . ?
C17_18 O18_18^a Si19_18^a 133(3) . . ?
O18_18^a Si19_18^a C20_18^a 112.4(16) . . ?
O18_18^a Si19_18^a C21_18^a 111.1(16) . . ?
O18_18^a Si19_18^a C22_18^a 100.4(13) . . ?
C20_18^a Si19_18^a C21_18^a 108.8(15) . . ?
C20_18^a Si19_18^a C22_18^a 112.0(16) . . ?
C21_18^a Si19_18^a C22_18^a 112.0(16) . . ?
Si19_18^a C20_18^a H20A_18 109.5 . . ?
Si19_18^a C20_18^a H20B_18 109.5 . . ?
Si19_18^a C20_18^a H20C_18 109.5 . . ?
H20A_18 C20_18^a H20B_18 109.5 . . ?
H20A_18 C20_18^a H20C_18 109.5 . . ?
H20B_18 C20_18^a H20C_18 109.5 . . ?
Si19_18^a C21_18^a H21A_18 109.5 . . ?
Si19_18^a C21_18^a H21B_18 109.5 . . ?
Si19_18^a C21_18^a H21C_18 109.5 . . ?
H21A_18 C21_18^a H21B_18 109.5 . . ?
H21A_18 C21_18^a H21C_18 109.5 . . ?
H21B_18 C21_18^a H21C_18 109.5 . . ?
C23_18^a C22_18^a Si19_18^a 108.1(17) . . ?
C23_18^a C22_18^a C24_18^a 110.3(19) . . ?
C23_18^a C22_18^a C25_18^a 108.9(18) . . ?
C24_18^a C22_18^a Si19_18^a 110.4(17) . . ?
C24_18^a C22_18^a C25_18^a 109.3(18) . . ?
C25_18^a C22_18^a Si19_18^a 109.8(17) . . ?
C22_18^a C23_18^a H23A_18 109.5 . . ?
C22_18^a C23_18^a H23B_18 109.5 . . ?
C22_18^a C23_18^a H23C_18 109.5 . . ?
H23A_18 C23_18^a H23B_18 109.5 . . ?
H23A_18 C23_18^a H23C_18 109.5 . . ?
H23B_18 C23_18^a H23C_18 109.5 . . ?
C22_18^a C24_18^a H24A_18 109.5 . . ?
C22_18^a C24_18^a H24B_18 109.5 . . ?
C22_18^a C24_18^a H24C_18 109.5 . . ?
H24A_18 C24_18^a H24B_18 109.5 . . ?
H24A_18 C24_18^a H24C_18 109.5 . . ?
H24B_18 C24_18^a H24C_18 109.5 . . ?
C22_18^a C25_18^a H25A_18 109.5 . . ?
C22_18^a C25_18^a H25B_18 109.5 . . ?
C22_18^a C25_18^a H25C_18 109.5 . . ?
H25A_18 C25_18^a H25B_18 109.5 . . ?
H25A_18 C25_18^a H25C_18 109.5 . . ?
H25B_18 C25_18^a H25C_18 109.5 . . ?
C17_18 O18_18^b Si19_18^b 116.6(17) . . ?
O18_18^b Si19_18^b C20_18^b 111.5(14) . . ?
O18_18^b Si19_18^b C21_18^b 109.2(14) . . ?
O18_18^b Si19_18^b C22_18^b 102.5(12) . . ?
C20_18^b Si19_18^b C22_18^b 107.6(13) . . ?
C21_18^b Si19_18^b C20_18^b 111.2(15) . . ?
C21_18^b Si19_18^b C22_18^b 114.6(15) . . ?
Si19_18^b C20_18^b H20D_18 109.5 . . ?
Si19_18^b C20_18^b H20E_18 109.5 . . ?
Si19_18^b C20_18^b H20F_18 109.5 . . ?
H20D_18 C20_18^b H20E_18 109.5 . . ?
H20D_18 C20_18^b H20F_18 109.5 . . ?
H20E_18 C20_18^b H20F_18 109.5 . . ?
Si19_18^b C21_18^b H21D_18 109.5 . . ?
Si19_18^b C21_18^b H21E_18 109.5 . . ?
Si19_18^b C21_18^b H21F_18 109.5 . . ?
H21D_18 C21_18^b H21E_18 109.5 . . ?
H21D_18 C21_18^b H21F_18 109.5 . . ?
H21E_18 C21_18^b H21F_18 109.5 . . ?
C23_18^b C22_18^b Si19_18^b 110.5(17) . . ?
C23_18^b C22_18^b C24_18^b 106.5(17) . . ?
C24_18^b C22_18^b Si19_18^b 109.9(16) . . ?
C25_18^b C22_18^b Si19_18^b 107.3(15) . . ?
C25_18^b C22_18^b C23_18^b 111.5(18) . . ?
C25_18^b C22_18^b C24_18^b 111.2(17) . . ?
C22_18^b C23_18^b H23D_18 109.5 . . ?
C22_18^b C23_18^b H23E_18 109.5 . . ?
C22_18^b C23_18^b H23F_18 109.5 . . ?
H23D_18 C23_18^b H23E_18 109.5 . . ?
H23D_18 C23_18^b H23F_18 109.5 . . ?
H23E_18 C23_18^b H23F_18 109.5 . . ?
C22_18^b C24_18^b H24D_18 109.5 . . ?
C22_18^b C24_18^b H24E_18 109.5 . . ?
C22_18^b C24_18^b H24F_18 109.5 . . ?
H24D_18 C24_18^b H24E_18 109.5 . . ?
H24D_18 C24_18^b H24F_18 109.5 . . ?
H24E_18 C24_18^b H24F_18 109.5 . . ?
C22_18^b C25_18^b H25D_18 109.5 . . ?
C22_18^b C25_18^b H25E_18 109.5 . . ?
C22_18^b C25_18^b H25F_18 109.5 . . ?
H25D_18 C25_18^b H25E_18 109.5 . . ?
H25D_18 C25_18^b H25F_18 109.5 . . ?
H25E_18 C25_18^b H25F_18 109.5 . . ?
C15_18 O26_18^a Si27_18^a 118.9(17) . . ?
O26_18^a Si27_18^a C28_18^a 106.6(14) . . ?
O26_18^a Si27_18^a C29_18^a 115.9(14) . . ?
O26_18^a Si27_18^a C30_18^a 101.9(11) . . ?
C28_18^a Si27_18^a C30_18^a 111.5(13) . . ?
C29_18^a Si27_18^a C28_18^a 107.2(14) . . ?
C29_18^a Si27_18^a C30_18^a 113.6(14) . . ?
Si27_18^a C28_18^a H28A_18 109.5 . . ?
Si27_18^a C28_18^a H28B_18 109.5 . . ?
Si27_18^a C28_18^a H28C_18 109.5 . . ?
H28A_18 C28_18^a H28B_18 109.5 . . ?
H28A_18 C28_18^a H28C_18 109.5 . . ?
H28B_18 C28_18^a H28C_18 109.5 . . ?
Si27_18^a C29_18^a H29A_18 109.5 . . ?
Si27_18^a C29_18^a H29B_18 109.5 . . ?
Si27_18^a C29_18^a H29C_18 109.5 . . ?
H29A_18 C29_18^a H29B_18 109.5 . . ?
H29A_18 C29_18^a H29C_18 109.5 . . ?
H29B_18 C29_18^a H29C_18 109.5 . . ?
C31_18^a C30_18^a Si27_18^a 110.8(16) . . ?
C31_18^a C30_18^a C32_18^a 108.0(18) . . ?
C32_18^a C30_18^a Si27_18^a 108.8(15) . . ?
C33_18^a C30_18^a Si27_18^a 108.5(15) . . ?
C33_18^a C30_18^a C31_18^a 110.2(18) . . ?
C33_18^a C30_18^a C32_18^a 110.6(18) . . ?
C30_18^a C31_18^a H31A_18 109.5 . . ?
C30_18^a C31_18^a H31B_18 109.5 . . ?
C30_18^a C31_18^a H31C_18 109.5 . . ?
H31A_18 C31_18^a H31B_18 109.5 . . ?
H31A_18 C31_18^a H31C_18 109.5 . . ?
H31B_18 C31_18^a H31C_18 109.5 . . ?
C30_18^a C32_18^a H32A_18 109.5 . . ?
C30_18^a C32_18^a H32B_18 109.5 . . ?
C30_18^a C32_18^a H32C_18 109.5 . . ?
H32A_18 C32_18^a H32B_18 109.5 . . ?
H32A_18 C32_18^a H32C_18 109.5 . . ?
H32B_18 C32_18^a H32C_18 109.5 . . ?
C30_18^a C33_18^a H33A_18 109.5 . . ?
C30_18^a C33_18^a H33B_18 109.5 . . ?
C30_18^a C33_18^a H33C_18 109.5 . . ?
H33A_18 C33_18^a H33B_18 109.5 . . ?
H33A_18 C33_18^a H33C_18 109.5 . . ?
H33B_18 C33_18^a H33C_18 109.5 . . ?
C15_18 O26_18^b Si27_18^b 131.4(19) . . ?
O26_18^b Si27_18^b C28_18^b 108.9(14) . . ?
O26_18^b Si27_18^b C29_18^b 108.8(15) . . ?
O26_18^b Si27_18^b C30_18^b 108.9(14) . . ?
C28_18^b Si27_18^b C29_18^b 108.5(15) . . ?
C28_18^b Si27_18^b C30_18^b 112.1(14) . . ?
C30_18^b Si27_18^b C29_18^b 109.6(14) . . ?
Si27_18^b C28_18^b H28D_18 109.5 . . ?
Si27_18^b C28_18^b H28E_18 109.5 . . ?
Si27_18^b C28_18^b H28F_18 109.5 . . ?
H28D_18 C28_18^b H28E_18 109.5 . . ?
H28D_18 C28_18^b H28F_18 109.5 . . ?
H28E_18 C28_18^b H28F_18 109.5 . . ?
Si27_18^b C29_18^b H29D_18 109.5 . . ?
Si27_18^b C29_18^b H29E_18 109.5 . . ?
Si27_18^b C29_18^b H29F_18 109.5 . . ?
H29D_18 C29_18^b H29E_18 109.5 . . ?
H29D_18 C29_18^b H29F_18 109.5 . . ?
H29E_18 C29_18^b H29F_18 109.5 . . ?
C31_18^b C30_18^b Si27_18^b 111.4(17) . . ?
C31_18^b C30_18^b C32_18^b 109.5(19) . . ?
C31_18^b C30_18^b C33_18^b 109.5(18) . . ?
C32_18^b C30_18^b Si27_18^b 108.9(17) . . ?
C33_18^b C30_18^b Si27_18^b 109.5(17) . . ?
C33_18^b C30_18^b C32_18^b 108.1(18) . . ?
C30_18^b C31_18^b H31D_18 109.5 . . ?
C30_18^b C31_18^b H31E_18 109.5 . . ?
C30_18^b C31_18^b H31F_18 109.5 . . ?
H31D_18 C31_18^b H31E_18 109.5 . . ?
H31D_18 C31_18^b H31F_18 109.5 . . ?
H31E_18 C31_18^b H31F_18 109.5 . . ?
C30_18^b C32_18^b H32D_18 109.5 . . ?
C30_18^b C32_18^b H32E_18 109.5 . . ?
C30_18^b C32_18^b H32F_18 109.5 . . ?
H32D_18 C32_18^b H32E_18 109.5 . . ?
H32D_18 C32_18^b H32F_18 109.5 . . ?
H32E_18 C32_18^b H32F_18 109.5 . . ?
C30_18^b C33_18^b H33D_18 109.5 . . ?
C30_18^b C33_18^b H33E_18 109.5 . . ?
C30_18^b C33_18^b H33F_18 109.5 . . ?
H33D_18 C33_18^b H33E_18 109.5 . . ?
H33D_18 C33_18^b H33F_18 109.5 . . ?
H33E_18 C33_18^b H33F_18 109.5 . . ?
Cs2_2 O1_19 Cs3_3 68.44(13) . . ?
C4_19 O1_19 Cs2_2 126.7(6) . . ?
C4_19 O1_19 Cs3_3 137.6(7) . . ?
H2A_19 N2_19 H2B_19 120.0 . . ?
C6_19 N2_19 H2A_19 120.0 . . ?
C6_19 N2_19 H2B_19 120.0 . . ?
C11_19 N3_19 C4_19 113.9(9) . . ?
O1_19 C4_19 N3_19 123.5(10) . . ?
O1_19 C4_19 N5_19 115.5(9) . . ?
N3_19 C4_19 N5_19 120.9(8) . . ?
C4_19 N5_19 H5_19 117.8 . . ?
C6_19 N5_19 C4_19 124.5(9) . . ?
C6_19 N5_19 H5_19 117.8 . . ?
N2_19 C6_19 N5_19 119.1(10) . . ?
N2_19 C6_19 C7_19 127.3(10) . . ?
N5_19 C6_19 C7_19 113.6(10) . . ?
C6_19 C7_19 N8_19 131.7(10) . . ?
C6_19 C7_19 C11_19 119.4(9) . . ?
C11_19 C7_19 N8_19 108.9(10) . . ?
C9_19 N8_19 C7_19 105.2(9) . . ?
N8_19 C9_19 H9_19 124.1 . . ?
N8_19 C9_19 N10_19 111.9(9) . . ?
N10_19 C9_19 H9_19 124.1 . . ?
C9_19 N10_19 C12_19 126.4(8) . . ?
C11_19 N10_19 C9_19 107.2(9) . . ?
C11_19 N10_19 C12_19 125.8(7) . . ?
N3_19 C11_19 C7_19 127.5(10) . . ?
N3_19 C11_19 N10_19 125.8(10) . . ?
N10_19 C11_19 C7_19 106.7(8) . . ?
N10_19 C12_19 H12_19 108.7 . . ?
N10_19 C12_19 C16_19 114.1(8) . . ?
O13_19 C12_19 N10_19 109.0(7) . . ?
O13_19 C12_19 H12_19 108.7 . . ?
O13_19 C12_19 C16_19 107.6(7) . . ?
C16_19 C12_19 H12_19 108.7 . . ?
C12_19 O13_19 C14_19 110.0(6) . . ?
O13_19 C14_19 H14_19 109.4 . . ?
O13_19 C14_19 C15_19 105.4(7) . . ?
O13_19 C14_19 C17_19 109.1(8) . . ?
C15_19 C14_19 H14_19 109.4 . . ?
C17_19 C14_19 H14_19 109.4 . . ?
C17_19 C14_19 C15_19 114.0(8) . . ?
C14_19 C15_19 H15_19 110.2 . . ?
C14_19 C15_19 C16_19 102.0(7) . . ?
C16_19 C15_19 H15_19 110.2 . . ?
O26_19 C15_19 C14_19 109.2(8) . . ?
O26_19 C15_19 H15_19 110.2 . . ?
O26_19 C15_19 C16_19 114.8(8) . . ?
C12_19 C16_19 H16A_19 111.5 . . ?
C12_19 C16_19 H16B_19 111.5 . . ?
C15_19 C16_19 C12_19 101.2(6) . . ?
C15_19 C16_19 H16A_19 111.5 . . ?
C15_19 C16_19 H16B_19 111.5 . . ?
H16A_19 C16_19 H16B_19 109.4 . . ?
C14_19 C17_19 H17A_19 108.7 . . ?
C14_19 C17_19 H17B_19 108.7 . . ?
C14_19 C17_19 H17C_19 110.5 . . ?
C14_19 C17_19 H17D_19 110.5 . . ?
H17A_19 C17_19 H17B_19 107.6 . . ?
H17C_19 C17_19 H17D_19 108.7 . . ?
O18_19^a C17_19 C14_19 114.2(12) . . ?
O18_19^a C17_19 H17A_19 108.7 . . ?
O18_19^a C17_19 H17B_19 108.7 . . ?
O18_19^b C17_19 C14_19 106.3(10) . . ?
O18_19^b C17_19 H17C_19 110.5 . . ?
O18_19^b C17_19 H17D_19 110.5 . . ?
C17_19 O18_19^a Si19_19^a 124.1(12) . . ?
O18_19^a Si19_19^a C20_19^a 109.2(12) . . ?
O18_19^a Si19_19^a C21_19^a 108.4(10) . . ?
O18_19^a Si19_19^a C22_19^a 108.5(7) . . ?
C20_19^a Si19_19^a C22_19^a 106.9(11) . . ?
C21_19^a Si19_19^a C20_19^a 109.8(11) . . ?
C21_19^a Si19_19^a C22_19^a 114.1(9) . . ?
Si19_19^a C20_19^a H20A_19 109.5 . . ?
Si19_19^a C20_19^a H20B_19 109.5 . . ?
Si19_19^a C20_19^a H20C_19 109.5 . . ?
H20A_19 C20_19^a H20B_19 109.5 . . ?
H20A_19 C20_19^a H20C_19 109.5 . . ?
H20B_19 C20_19^a H20C_19 109.5 . . ?
Si19_19^a C21_19^a H21A_19 109.5 . . ?
Si19_19^a C21_19^a H21B_19 109.5 . . ?
Si19_19^a C21_19^a H21C_19 109.5 . . ?
H21A_19 C21_19^a H21B_19 109.5 . . ?
H21A_19 C21_19^a H21C_19 109.5 . . ?
H21B_19 C21_19^a H21C_19 109.5 . . ?
C23_19^a C22_19^a Si19_19^a 107.9(11) . . ?
C23_19^a C22_19^a C24_19^a 109.6(14) . . ?
C24_19^a C22_19^a Si19_19^a 110.7(13) . . ?
C25_19^a C22_19^a Si19_19^a 110.4(11) . . ?
C25_19^a C22_19^a C23_19^a 107.4(14) . . ?
C25_19^a C22_19^a C24_19^a 110.8(14) . . ?
C22_19^a C23_19^a H23A_19 109.5 . . ?
C22_19^a C23_19^a H23B_19 109.5 . . ?
C22_19^a C23_19^a H23C_19 109.5 . . ?
H23A_19 C23_19^a H23B_19 109.5 . . ?
H23A_19 C23_19^a H23C_19 109.5 . . ?
H23B_19 C23_19^a H23C_19 109.5 . . ?
C22_19^a C24_19^a H24A_19 109.5 . . ?
C22_19^a C24_19^a H24B_19 109.5 . . ?
C22_19^a C24_19^a H24C_19 109.5 . . ?
H24A_19 C24_19^a H24B_19 109.5 . . ?
H24A_19 C24_19^a H24C_19 109.5 . . ?
H24B_19 C24_19^a H24C_19 109.5 . . ?
C22_19^a C25_19^a H25A_19 109.5 . . ?
C22_19^a C25_19^a H25B_19 109.5 . . ?
C22_19^a C25_19^a H25C_19 109.5 . . ?
H25A_19 C25_19^a H25B_19 109.5 . . ?
H25A_19 C25_19^a H25C_19 109.5 . . ?
H25B_19 C25_19^a H25C_19 109.5 . . ?
C17_19 O18_19^b Si19_19^b 125.5(13) . . ?
O18_19^b Si19_19^b C20_19^b 109.8(13) . . ?
O18_19^b Si19_19^b C21_19^b 106.0(11) . . ?
O18_19^b Si19_19^b C22_19^b 109.5(10) . . ?
C20_19^b Si19_19^b C21_19^b 108.3(13) . . ?
C22_19^b Si19_19^b C20_19^b 111.4(12) . . ?
C22_19^b Si19_19^b C21_19^b 111.7(12) . . ?
Si19_19^b C20_19^b H20D_19 109.5 . . ?
Si19_19^b C20_19^b H20E_19 109.5 . . ?
Si19_19^b C20_19^b H20F_19 109.5 . . ?
H20D_19 C20_19^b H20E_19 109.5 . . ?
H20D_19 C20_19^b H20F_19 109.5 . . ?
H20E_19 C20_19^b H20F_19 109.5 . . ?
Si19_19^b C21_19^b H21D_19 109.5 . . ?
Si19_19^b C21_19^b H21E_19 109.5 . . ?
Si19_19^b C21_19^b H21F_19 109.5 . . ?
H21D_19 C21_19^b H21E_19 109.5 . . ?
H21D_19 C21_19^b H21F_19 109.5 . . ?
H21E_19 C21_19^b H21F_19 109.5 . . ?
C23_19^b C22_19^b Si19_19^b 109.1(15) . . ?
C23_19^b C22_19^b C24_19^b 108.0(16) . . ?
C24_19^b C22_19^b Si19_19^b 108.7(14) . . ?
C25_19^b C22_19^b Si19_19^b 110.8(14) . . ?
C25_19^b C22_19^b C23_19^b 111.6(18) . . ?
C25_19^b C22_19^b C24_19^b 108.5(17) . . ?
C22_19^b C23_19^b H23D_19 109.5 . . ?
C22_19^b C23_19^b H23E_19 109.5 . . ?
C22_19^b C23_19^b H23F_19 109.5 . . ?
H23D_19 C23_19^b H23E_19 109.5 . . ?
H23D_19 C23_19^b H23F_19 109.5 . . ?
H23E_19 C23_19^b H23F_19 109.5 . . ?
C22_19^b C24_19^b H24D_19 109.5 . . ?
C22_19^b C24_19^b H24E_19 109.5 . . ?
C22_19^b C24_19^b H24F_19 109.5 . . ?
H24D_19 C24_19^b H24E_19 109.5 . . ?
H24D_19 C24_19^b H24F_19 109.5 . . ?
H24E_19 C24_19^b H24F_19 109.5 . . ?
C22_19^b C25_19^b H25D_19 109.5 . . ?
C22_19^b C25_19^b H25E_19 109.5 . . ?
C22_19^b C25_19^b H25F_19 109.5 . . ?
H25D_19 C25_19^b H25E_19 109.5 . . ?
H25D_19 C25_19^b H25F_19 109.5 . . ?
H25E_19 C25_19^b H25F_19 109.5 . . ?
C15_19 O26_19 Si27_19 125.9(7) . . ?
O26_19 Si27_19 C28_19 107.5(6) . . ?
O26_19 Si27_19 C29_19 111.4(6) . . ?
O26_19 Si27_19 C30_19 102.8(5) . . ?
C28_19 Si27_19 C29_19 109.4(8) . . ?
C28_19 Si27_19 C30_19 115.1(7) . . ?
C29_19 Si27_19 C30_19 110.5(6) . . ?
Si27_19 C28_19 H28A_19 109.5 . . ?
Si27_19 C28_19 H28B_19 109.5 . . ?
Si27_19 C28_19 H28C_19 109.5 . . ?
H28A_19 C28_19 H28B_19 109.5 . . ?
H28A_19 C28_19 H28C_19 109.5 . . ?
H28B_19 C28_19 H28C_19 109.5 . . ?
Si27_19 C29_19 H29A_19 109.5 . . ?
Si27_19 C29_19 H29B_19 109.5 . . ?
Si27_19 C29_19 H29C_19 109.5 . . ?
H29A_19 C29_19 H29B_19 109.5 . . ?
H29A_19 C29_19 H29C_19 109.5 . . ?
H29B_19 C29_19 H29C_19 109.5 . . ?
C31_19 C30_19 Si27_19 109.9(10) . . ?
C31_19 C30_19 C32_19 110.2(13) . . ?
C31_19 C30_19 C33_19 108.6(12) . . ?
C32_19 C30_19 Si27_19 110.9(8) . . ?
C32_19 C30_19 C33_19 108.1(11) . . ?
C33_19 C30_19 Si27_19 109.0(9) . . ?
C30_19 C31_19 H31A_19 109.5 . . ?
C30_19 C31_19 H31B_19 109.5 . . ?
C30_19 C31_19 H31C_19 109.5 . . ?
H31A_19 C31_19 H31B_19 109.5 . . ?
H31A_19 C31_19 H31C_19 109.5 . . ?
H31B_19 C31_19 H31C_19 109.5 . . ?
C30_19 C32_19 H32A_19 109.5 . . ?
C30_19 C32_19 H32B_19 109.5 . . ?
C30_19 C32_19 H32C_19 109.5 . . ?
H32A_19 C32_19 H32B_19 109.5 . . ?
H32A_19 C32_19 H32C_19 109.5 . . ?
H32B_19 C32_19 H32C_19 109.5 . . ?
C30_19 C33_19 H33A_19 109.5 . . ?
C30_19 C33_19 H33B_19 109.5 . . ?
C30_19 C33_19 H33C_19 109.5 . . ?
H33A_19 C33_19 H33B_19 109.5 . . ?
H33A_19 C33_19 H33C_19 109.5 . . ?
H33B_19 C33_19 H33C_19 109.5 . . ?
Cs2_2 O1_20 Cs3_3 68.92(13) . . ?
C4_20 O1_20 Cs2_2 127.8(6) . . ?
C4_20 O1_20 Cs3_3 131.2(6) . . ?
H2A_20 N2_20 H2B_20 120.0 . . ?
C6_20 N2_20 H2A_20 120.0 . . ?
C6_20 N2_20 H2B_20 120.0 . . ?
C4_20 N3_20 C11_20 113.6(7) . . ?
O1_20 C4_20 N3_20 123.5(8) . . ?
O1_20 C4_20 N5_20 116.3(8) . . ?
N3_20 C4_20 N5_20 120.3(8) . . ?
C4_20 N5_20 H5_20 117.9 . . ?
C6_20 N5_20 C4_20 124.2(8) . . ?
C6_20 N5_20 H5_20 117.9 . . ?
N2_20 C6_20 N5_20 118.5(9) . . ?
N2_20 C6_20 C7_20 126.7(9) . . ?
N5_20 C6_20 C7_20 114.7(8) . . ?
C6_20 C7_20 N8_20 130.6(8) . . ?
C11_20 C7_20 C6_20 118.0(8) . . ?
C11_20 C7_20 N8_20 111.4(8) . . ?
C9_20 N8_20 C7_20 103.4(7) . . ?
N8_20 C9_20 H9_20 123.3 . . ?
N8_20 C9_20 N10_20 113.4(8) . . ?
N10_20 C9_20 H9_20 123.3 . . ?
C9_20 N10_20 C11_20 105.5(7) . . ?
C9_20 N10_20 C12_20 128.4(8) . . ?
C11_20 N10_20 C12_20 125.5(7) . . ?
N3_20 C11_20 C7_20 129.1(8) . . ?
N3_20 C11_20 N10_20 124.5(8) . . ?
C7_20 C11_20 N10_20 106.3(8) . . ?
N10_20 C12_20 H12_20 108.9 . . ?
N10_20 C12_20 C16_20 114.7(7) . . ?
O13_20 C12_20 N10_20 107.1(7) . . ?
O13_20 C12_20 H12_20 108.9 . . ?
O13_20 C12_20 C16_20 108.4(6) . . ?
C16_20 C12_20 H12_20 108.9 . . ?
C12_20 O13_20 C14_20 110.1(6) . . ?
O13_20 C14_20 H14_20 109.8 . . ?
O13_20 C14_20 C15_20 106.1(7) . . ?
O13_20 C14_20 C17_20 103.7(8) . . ?
C15_20 C14_20 H14_20 109.8 . . ?
C17_20 C14_20 H14_20 109.8 . . ?
C17_20 C14_20 C15_20 117.2(9) . . ?
C14_20 C15_20 H15_20 110.5 . . ?
C16_20 C15_20 C14_20 100.9(6) . . ?
C16_20 C15_20 H15_20 110.5 . . ?
O26_20 C15_20 C14_20 108.8(8) . . ?
O26_20 C15_20 H15_20 110.5 . . ?
O26_20 C15_20 C16_20 115.1(7) . . ?
C12_20 C16_20 C15_20 102.6(6) . . ?
C12_20 C16_20 H16A_20 111.2 . . ?
C12_20 C16_20 H16B_20 111.2 . . ?
C15_20 C16_20 H16A_20 111.2 . . ?
C15_20 C16_20 H16B_20 111.2 . . ?
H16A_20 C16_20 H16B_20 109.2 . . ?
C14_20 C17_20 H17A_20 109.4 . . ?
C14_20 C17_20 H17B_20 109.4 . . ?
C14_20 C17_20 H17C_20 109.6 . . ?
C14_20 C17_20 H17D_20 109.6 . . ?
H17A_20 C17_20 H17B_20 108.0 . . ?
H17C_20 C17_20 H17D_20 108.2 . . ?
O18_20^a C17_20 C14_20 111.3(10) . . ?
O18_20^a C17_20 H17A_20 109.4 . . ?
O18_20^a C17_20 H17B_20 109.4 . . ?
O18_20^b C17_20 C14_20 110.1(12) . . ?
O18_20^b C17_20 H17C_20 109.6 . . ?
O18_20^b C17_20 H17D_20 109.6 . . ?
C17_20 O18_20^a Si19_20^a 129.0(8) . . ?
O18_20^a Si19_20^a C20_20^a 104.2(7) . . ?
O18_20^a Si19_20^a C21_20^a 108.5(8) . . ?
O18_20^a Si19_20^a C22_20^a 105.3(7) . . ?
C21_20^a Si19_20^a C20_20^a 109.4(10) . . ?
C21_20^a Si19_20^a C22_20^a 117.2(10) . . ?
C22_20^a Si19_20^a C20_20^a 111.3(8) . . ?
Si19_20^a C20_20^a H20A_20 109.5 . . ?
Si19_20^a C20_20^a H20B_20 109.5 . . ?
Si19_20^a C20_20^a H20C_20 109.5 . . ?
H20A_20 C20_20^a H20B_20 109.5 . . ?
H20A_20 C20_20^a H20C_20 109.5 . . ?
H20B_20 C20_20^a H20C_20 109.5 . . ?
Si19_20^a C21_20^a H21A_20 109.5 . . ?
Si19_20^a C21_20^a H21B_20 109.5 . . ?
Si19_20^a C21_20^a H21C_20 109.5 . . ?
H21A_20 C21_20^a H21B_20 109.5 . . ?
H21A_20 C21_20^a H21C_20 109.5 . . ?
H21B_20 C21_20^a H21C_20 109.5 . . ?
C23_20^a C22_20^a Si19_20^a 108.6(11) . . ?
C23_20^a C22_20^a C24_20^a 111.4(13) . . ?
C23_20^a C22_20^a C25_20^a 109.9(14) . . ?
C24_20^a C22_20^a Si19_20^a 109.1(11) . . ?
C24_20^a C22_20^a C25_20^a 105.3(13) . . ?
C25_20^a C22_20^a Si19_20^a 112.6(11) . . ?
C22_20^a C23_20^a H23A_20 109.5 . . ?
C22_20^a C23_20^a H23B_20 109.5 . . ?
C22_20^a C23_20^a H23C_20 109.5 . . ?
H23A_20 C23_20^a H23B_20 109.5 . . ?
H23A_20 C23_20^a H23C_20 109.5 . . ?
H23B_20 C23_20^a H23C_20 109.5 . . ?
C22_20^a C24_20^a H24A_20 109.5 . . ?
C22_20^a C24_20^a H24B_20 109.5 . . ?
C22_20^a C24_20^a H24C_20 109.5 . . ?
H24A_20 C24_20^a H24B_20 109.5 . . ?
H24A_20 C24_20^a H24C_20 109.5 . . ?
H24B_20 C24_20^a H24C_20 109.5 . . ?
C22_20^a C25_20^a H25A_20 109.5 . . ?
C22_20^a C25_20^a H25B_20 109.5 . . ?
C22_20^a C25_20^a H25C_20 109.5 . . ?
H25A_20 C25_20^a H25B_20 109.5 . . ?
H25A_20 C25_20^a H25C_20 109.5 . . ?
H25B_20 C25_20^a H25C_20 109.5 . . ?
C17_20 O18_20^b Si19_20^b 123.6(3) . . ?
O18_20^b Si19_20^b C20_20^b 112.7(14) . . ?
O18_20^b Si19_20^b C21_20^b 106.9(13) . . ?
O18_20^b Si19_20^b C22_20^b 100.7(11) . . ?
C20_20^b Si19_20^b C21_20^b 111.7(13) . . ?
C20_20^b Si19_20^b C22_20^b 114.0(15) . . ?
C21_20^b Si19_20^b C22_20^b 110.1(14) . . ?
Si19_20^b C20_20^b H20D_20 109.5 . . ?
Si19_20^b C20_20^b H20E_20 109.5 . . ?
Si19_20^b C20_20^b H20F_20 109.5 . . ?
H20D_20 C20_20^b H20E_20 109.5 . . ?
H20D_20 C20_20^b H20F_20 109.5 . . ?
H20E_20 C20_20^b H20F_20 109.5 . . ?
Si19_20^b C21_20^b H21D_20 109.5 . . ?
Si19_20^b C21_20^b H21E_20 109.5 . . ?
Si19_20^b C21_20^b H21F_20 109.5 . . ?
H21D_20 C21_20^b H21E_20 109.5 . . ?
H21D_20 C21_20^b H21F_20 109.5 . . ?
H21E_20 C21_20^b H21F_20 109.5 . . ?
C23_20^b C22_20^b Si19_20^b 110.6(17) . . ?
C23_20^b C22_20^b C24_20^b 111.0(18) . . ?
C23_20^b C22_20^b C25_20^b 110.8(18) . . ?
C24_20^b C22_20^b Si19_20^b 106.3(14) . . ?
C25_20^b C22_20^b Si19_20^b 109.6(17) . . ?
C25_20^b C22_20^b C24_20^b 108.3(17) . . ?
C22_20^b C23_20^b H23D_20 109.5 . . ?
C22_20^b C23_20^b H23E_20 109.5 . . ?
C22_20^b C23_20^b H23F_20 109.5 . . ?
H23D_20 C23_20^b H23E_20 109.5 . . ?
H23D_20 C23_20^b H23F_20 109.5 . . ?
H23E_20 C23_20^b H23F_20 109.5 . . ?
C22_20^b C24_20^b H24D_20 109.5 . . ?
C22_20^b C24_20^b H24E_20 109.5 . . ?
C22_20^b C24_20^b H24F_20 109.5 . . ?
H24D_20 C24_20^b H24E_20 109.5 . . ?
H24D_20 C24_20^b H24F_20 109.5 . . ?
H24E_20 C24_20^b H24F_20 109.5 . . ?
C22_20^b C25_20^b H25D_20 109.5 . . ?
C22_20^b C25_20^b H25E_20 109.5 . . ?
C22_20^b C25_20^b H25F_20 109.5 . . ?
H25D_20 C25_20^b H25E_20 109.5 . . ?
H25D_20 C25_20^b H25F_20 109.5 . . ?
H25E_20 C25_20^b H25F_20 109.5 . . ?
C15_20 O26_20 Si27_20 129.3(7) . . ?
O26_20 Si27_20 C28_20 109.8(7) . . ?
O26_20 Si27_20 C29_20 110.7(7) . . ?
O26_20 Si27_20 C30_20 108.2(6) . . ?
C29_20 Si27_20 C28_20 104.4(10) . . ?
C30_20 Si27_20 C28_20 109.4(8) . . ?
C30_20 Si27_20 C29_20 114.3(8) . . ?
Si27_20 C28_20 H28A_20 109.5 . . ?
Si27_20 C28_20 H28B_20 109.5 . . ?
Si27_20 C28_20 H28C_20 109.5 . . ?
H28A_20 C28_20 H28B_20 109.5 . . ?
H28A_20 C28_20 H28C_20 109.5 . . ?
H28B_20 C28_20 H28C_20 109.5 . . ?
Si27_20 C29_20 H29A_20 109.5 . . ?
Si27_20 C29_20 H29B_20 109.5 . . ?
Si27_20 C29_20 H29C_20 109.5 . . ?
H29A_20 C29_20 H29B_20 109.5 . . ?
H29A_20 C29_20 H29C_20 109.5 . . ?
H29B_20 C29_20 H29C_20 109.5 . . ?
C31_20 C30_20 Si27_20 109.8(10) . . ?
C31_20 C30_20 C32_20 106.6(15) . . ?
C32_20 C30_20 Si27_20 110.0(12) . . ?
C33_20 C30_20 Si27_20 109.4(11) . . ?
C33_20 C30_20 C31_20 113.5(15) . . ?
C33_20 C30_20 C32_20 107.4(15) . . ?
C30_20 C31_20 H31A_20 109.5 . . ?
C30_20 C31_20 H31B_20 109.5 . . ?
C30_20 C31_20 H31C_20 109.5 . . ?
H31A_20 C31_20 H31B_20 109.5 . . ?
H31A_20 C31_20 H31C_20 109.5 . . ?
H31B_20 C31_20 H31C_20 109.5 . . ?
C30_20 C32_20 H32A_20 109.5 . . ?
C30_20 C32_20 H32B_20 109.5 . . ?
C30_20 C32_20 H32C_20 109.5 . . ?
H32A_20 C32_20 H32B_20 109.5 . . ?
H32A_20 C32_20 H32C_20 109.5 . . ?
H32B_20 C32_20 H32C_20 109.5 . . ?
C30_20 C33_20 H33A_20 109.5 . . ?
C30_20 C33_20 H33B_20 109.5 . . ?
C30_20 C33_20 H33C_20 109.5 . . ?
H33A_20 C33_20 H33B_20 109.5 . . ?
H33A_20 C33_20 H33C_20 109.5 . . ?
H33B_20 C33_20 H33C_20 109.5 . . ?
Cs2_2 O1_21 Cs1_1 64.53(11) . . ?
C4_21 O1_21 Cs1_1 130.8(6) . . ?
C4_21 O1_21 Cs2_2 129.4(6) . . ?
H2A_21 N2_21 H2B_21 120.0 . . ?
C6_21 N2_21 H2A_21 120.0 . . ?
C6_21 N2_21 H2B_21 120.0 . . ?
C4_21 N3_21 C11_21 113.9(7) . . ?
O1_21 C4_21 N3_21 123.2(8) . . ?
O1_21 C4_21 N5_21 115.4(8) . . ?
N3_21 C4_21 N5_21 121.4(7) . . ?
C4_21 N5_21 H5_21 118.2 . . ?
C6_21 N5_21 C4_21 123.5(7) . . ?
C6_21 N5_21 H5_21 118.2 . . ?
N2_21 C6_21 C7_21 123.9(8) . . ?
N5_21 C6_21 N2_21 119.2(8) . . ?
N5_21 C6_21 C7_21 116.9(8) . . ?
C6_21 C7_21 N8_21 132.6(8) . . ?
C11_21 C7_21 C6_21 116.2(7) . . ?
C11_21 C7_21 N8_21 111.1(7) . . ?
C9_21 N8_21 C7_21 103.4(7) . . ?
N8_21 C9_21 H9_21 122.8 . . ?
N8_21 C9_21 N10_21 114.4(8) . . ?
N10_21 C9_21 H9_21 122.8 . . ?
C9_21 N10_21 C11_21 106.3(7) . . ?
C9_21 N10_21 C12_21 125.8(7) . . ?
C11_21 N10_21 C12_21 127.8(7) . . ?
N3_21 C11_21 C7_21 128.1(8) . . ?
N3_21 C11_21 N10_21 127.1(8) . . ?
N10_21 C11_21 C7_21 104.7(7) . . ?
N10_21 C12_21 H12_21 109.1 . . ?
N10_21 C12_21 C16_21 114.1(7) . . ?
O13_21 C12_21 N10_21 107.5(7) . . ?
O13_21 C12_21 H12_21 109.1 . . ?
O13_21 C12_21 C16_21 107.7(6) . . ?
C16_21 C12_21 H12_21 109.1 . . ?
C12_21 O13_21 C14_21 109.3(6) . . ?
O13_21 C14_21 H14_21 108.8 . . ?
O13_21 C14_21 C15_21 104.9(6) . . ?
O13_21 C14_21 C17_21 108.7(8) . . ?
C15_21 C14_21 H14_21 108.8 . . ?
C17_21 C14_21 H14_21 108.8 . . ?
C17_21 C14_21 C15_21 116.6(9) . . ?
C14_21 C15_21 H15_21 111.8 . . ?
C14_21 C15_21 H15A_21 108.9 . . ?
C14_21 C15_21 C16_21 101.2(7) . . ?
C16_21 C15_21 H15_21 111.8 . . ?
C16_21 C15_21 H15A_21 108.9 . . ?
O26_21^a C15_21 C14_21 109.1(9) . . ?
O26_21^a C15_21 H15_21 111.8 . . ?
O26_21^a C15_21 C16_21 110.7(11) . . ?
O26_21^b C15_21 C14_21 108.6(10) . . ?
O26_21^b C15_21 H15A_21 108.9 . . ?
O26_21^b C15_21 C16_21 119.7(14) . . ?
C12_21 C16_21 H16A_21 111.4 . . ?
C12_21 C16_21 H16B_21 111.4 . . ?
C15_21 C16_21 C12_21 101.9(7) . . ?
C15_21 C16_21 H16A_21 111.4 . . ?
C15_21 C16_21 H16B_21 111.4 . . ?
H16A_21 C16_21 H16B_21 109.3 . . ?
C14_21 C17_21 H17A_21 109.3 . . ?
C14_21 C17_21 H17B_21 109.3 . . ?
C14_21 C17_21 H17C_21 109.6 . . ?
C14_21 C17_21 H17D_21 109.6 . . ?
H17A_21 C17_21 H17B_21 108.0 . . ?
H17C_21 C17_21 H17D_21 108.2 . . ?
O18_21^a C17_21 C14_21 111.4(9) . . ?
O18_21^a C17_21 H17A_21 109.3 . . ?
O18_21^a C17_21 H17B_21 109.3 . . ?
O18_21^b C17_21 C14_21 110.1(14) . . ?
O18_21^b C17_21 H17C_21 109.6 . . ?
O18_21^b C17_21 H17D_21 109.6 . . ?
C17_21 O18_21^a Si19_21^a 120.5(10) . . ?
O18_21^a Si19_21^a C20_21^a 110.9(9) . . ?
O18_21^a Si19_21^a C21_21^a 109.6(11) . . ?
O18_21^a Si19_21^a C22_21^a 103.1(7) . . ?
C20_21^a Si19_21^a C22_21^a 112.1(10) . . ?
C21_21^a Si19_21^a C20_21^a 109.0(12) . . ?
C21_21^a Si19_21^a C22_21^a 112.1(11) . . ?
Si19_21^a C20_21^a H20A_21 109.5 . . ?
Si19_21^a C20_21^a H20B_21 109.5 . . ?
Si19_21^a C20_21^a H20C_21 109.5 . . ?
H20A_21 C20_21^a H20B_21 109.5 . . ?
H20A_21 C20_21^a H20C_21 109.5 . . ?
H20B_21 C20_21^a H20C_21 109.5 . . ?
Si19_21^a C21_21^a H21A_21 109.5 . . ?
Si19_21^a C21_21^a H21B_21 109.5 . . ?
Si19_21^a C21_21^a H21C_21 109.5 . . ?
H21A_21 C21_21^a H21B_21 109.5 . . ?
H21A_21 C21_21^a H21C_21 109.5 . . ?
H21B_21 C21_21^a H21C_21 109.5 . . ?
C23_21^a C22_21^a Si19_21^a 109.7(11) . . ?
C23_21^a C22_21^a C25_21^a 109.5(14) . . ?
C24_21^a C22_21^a Si19_21^a 112.2(13) . . ?
C24_21^a C22_21^a C23_21^a 106.4(13) . . ?
C24_21^a C22_21^a C25_21^a 107.4(15) . . ?
C25_21^a C22_21^a Si19_21^a 111.5(12) . . ?
C22_21^a C23_21^a H23A_21 109.5 . . ?
C22_21^a C23_21^a H23B_21 109.5 . . ?
C22_21^a C23_21^a H23C_21 109.5 . . ?
H23A_21 C23_21^a H23B_21 109.5 . . ?
H23A_21 C23_21^a H23C_21 109.5 . . ?
H23B_21 C23_21^a H23C_21 109.5 . . ?
C22_21^a C24_21^a H24A_21 109.5 . . ?
C22_21^a C24_21^a H24B_21 109.5 . . ?
C22_21^a C24_21^a H24C_21 109.5 . . ?
H24A_21 C24_21^a H24B_21 109.5 . . ?
H24A_21 C24_21^a H24C_21 109.5 . . ?
H24B_21 C24_21^a H24C_21 109.5 . . ?
C22_21^a C25_21^a H25A_21 109.5 . . ?
C22_21^a C25_21^a H25B_21 109.5 . . ?
C22_21^a C25_21^a H25C_21 109.5 . . ?
H25A_21 C25_21^a H25B_21 109.5 . . ?
H25A_21 C25_21^a H25C_21 109.5 . . ?
H25B_21 C25_21^a H25C_21 109.5 . . ?
C17_21 O18_21^b Si19_21^b 138(2) . . ?
O18_21^b Si19_21^b C20_21^b 111.9(15) . . ?
O18_21^b Si19_21^b C21_21^b 110.1(15) . . ?
O18_21^b Si19_21^b C22_21^b 105.2(14) . . ?
C20_21^b Si19_21^b C21_21^b 107.4(15) . . ?
C20_21^b Si19_21^b C22_21^b 112.2(15) . . ?
C22_21^b Si19_21^b C21_21^b 110.0(14) . . ?
Si19_21^b C20_21^b H20D_21 109.5 . . ?
Si19_21^b C20_21^b H20E_21 109.5 . . ?
Si19_21^b C20_21^b H20F_21 109.5 . . ?
H20D_21 C20_21^b H20E_21 109.5 . . ?
H20D_21 C20_21^b H20F_21 109.5 . . ?
H20E_21 C20_21^b H20F_21 109.5 . . ?
Si19_21^b C21_21^b H21D_21 109.5 . . ?
Si19_21^b C21_21^b H21E_21 109.5 . . ?
Si19_21^b C21_21^b H21F_21 109.5 . . ?
H21D_21 C21_21^b H21E_21 109.5 . . ?
H21D_21 C21_21^b H21F_21 109.5 . . ?
H21E_21 C21_21^b H21F_21 109.5 . . ?
C23_21^b C22_21^b Si19_21^b 109.5(16) . . ?
C23_21^b C22_21^b C24_21^b 107.9(18) . . ?
C23_21^b C22_21^b C25_21^b 110.2(19) . . ?
C24_21^b C22_21^b Si19_21^b 111.0(17) . . ?
C25_21^b C22_21^b Si19_21^b 110.2(17) . . ?
C25_21^b C22_21^b C24_21^b 108.1(18) . . ?
C22_21^b C23_21^b H23D_21 109.5 . . ?
C22_21^b C23_21^b H23E_21 109.5 . . ?
C22_21^b C23_21^b H23F_21 109.5 . . ?
H23D_21 C23_21^b H23E_21 109.5 . . ?
H23D_21 C23_21^b H23F_21 109.5 . . ?
H23E_21 C23_21^b H23F_21 109.5 . . ?
C22_21^b C24_21^b H24D_21 109.5 . . ?
C22_21^b C24_21^b H24E_21 109.5 . . ?
C22_21^b C24_21^b H24F_21 109.5 . . ?
H24D_21 C24_21^b H24E_21 109.5 . . ?
H24D_21 C24_21^b H24F_21 109.5 . . ?
H24E_21 C24_21^b H24F_21 109.5 . . ?
C22_21^b C25_21^b H25D_21 109.5 . . ?
C22_21^b C25_21^b H25E_21 109.5 . . ?
C22_21^b C25_21^b H25F_21 109.5 . . ?
H25D_21 C25_21^b H25E_21 109.5 . . ?
H25D_21 C25_21^b H25F_21 109.5 . . ?
H25E_21 C25_21^b H25F_21 109.5 . . ?
C15_21 O26_21^a Si27_21^a 125.2(11) . . ?
O26_21^a Si27_21^a C28_21^a 111.3(12) . . ?
O26_21^a Si27_21^a C29_21^a 111.8(12) . . ?
O26_21^a Si27_21^a C30_21^a 104.4(7) . . ?
C28_21^a Si27_21^a C30_21^a 109.9(11) . . ?
C29_21^a Si27_21^a C28_21^a 109.2(12) . . ?
C29_21^a Si27_21^a C30_21^a 110.3(12) . . ?
Si27_21^a C28_21^a H28A_21 109.5 . . ?
Si27_21^a C28_21^a H28B_21 109.5 . . ?
Si27_21^a C28_21^a H28C_21 109.5 . . ?
H28A_21 C28_21^a H28B_21 109.5 . . ?
H28A_21 C28_21^a H28C_21 109.5 . . ?
H28B_21 C28_21^a H28C_21 109.5 . . ?
Si27_21^a C29_21^a H29A_21 109.5 . . ?
Si27_21^a C29_21^a H29B_21 109.5 . . ?
Si27_21^a C29_21^a H29C_21 109.5 . . ?
H29A_21 C29_21^a H29B_21 109.5 . . ?
H29A_21 C29_21^a H29C_21 109.5 . . ?
H29B_21 C29_21^a H29C_21 109.5 . . ?
C31_21^a C30_21^a Si27_21^a 112.5(11) . . ?
C31_21^a C30_21^a C32_21^a 106.7(15) . . ?
C31_21^a C30_21^a C33_21^a 111.0(15) . . ?
C32_21^a C30_21^a Si27_21^a 107.2(13) . . ?
C33_21^a C30_21^a Si27_21^a 110.7(13) . . ?
C33_21^a C30_21^a C32_21^a 108.6(16) . . ?
C30_21^a C31_21^a H31A_21 109.5 . . ?
C30_21^a C31_21^a H31B_21 109.5 . . ?
C30_21^a C31_21^a H31C_21 109.5 . . ?
H31A_21 C31_21^a H31B_21 109.5 . . ?
H31A_21 C31_21^a H31C_21 109.5 . . ?
H31B_21 C31_21^a H31C_21 109.5 . . ?
C30_21^a C32_21^a H32A_21 109.5 . . ?
C30_21^a C32_21^a H32B_21 109.5 . . ?
C30_21^a C32_21^a H32C_21 109.5 . . ?
H32A_21 C32_21^a H32B_21 109.5 . . ?
H32A_21 C32_21^a H32C_21 109.5 . . ?
H32B_21 C32_21^a H32C_21 109.5 . . ?
C30_21^a C33_21^a H33A_21 109.5 . . ?
C30_21^a C33_21^a H33B_21 109.5 . . ?
C30_21^a C33_21^a H33C_21 109.5 . . ?
H33A_21 C33_21^a H33B_21 109.5 . . ?
H33A_21 C33_21^a H33C_21 109.5 . . ?
H33B_21 C33_21^a H33C_21 109.5 . . ?
C15_21 O26_21^b Si27_21^b 129.4(15) . . ?
O26_21^b Si27_21^b C28_21^b 107.8(12) . . ?
O26_21^b Si27_21^b C29_21^b 107.6(13) . . ?
O26_21^b Si27_21^b C30_21^b 112.5(12) . . ?
C28_21^b Si27_21^b C29_21^b 107.4(14) . . ?
C30_21^b Si27_21^b C28_21^b 112.2(14) . . ?
C30_21^b Si27_21^b C29_21^b 109.1(13) . . ?
Si27_21^b C28_21^b H28D_21 109.5 . . ?
Si27_21^b C28_21^b H28E_21 109.5 . . ?
Si27_21^b C28_21^b H28F_21 109.5 . . ?
H28D_21 C28_21^b H28E_21 109.5 . . ?
H28D_21 C28_21^b H28F_21 109.5 . . ?
H28E_21 C28_21^b H28F_21 109.5 . . ?
Si27_21^b C29_21^b H29D_21 109.5 . . ?
Si27_21^b C29_21^b H29E_21 109.5 . . ?
Si27_21^b C29_21^b H29F_21 109.5 . . ?
H29D_21 C29_21^b H29E_21 109.5 . . ?
H29D_21 C29_21^b H29F_21 109.5 . . ?
H29E_21 C29_21^b H29F_21 109.5 . . ?
C31_21^b C30_21^b Si27_21^b 113.4(17) . . ?
C31_21^b C30_21^b C32_21^b 108.4(18) . . ?
C31_21^b C30_21^b C33_21^b 108.1(18) . . ?
C32_21^b C30_21^b Si27_21^b 113.5(16) . . ?
C32_21^b C30_21^b C33_21^b 106.9(17) . . ?
C33_21^b C30_21^b Si27_21^b 106.2(14) . . ?
C30_21^b C31_21^b H31D_21 109.5 . . ?
C30_21^b C31_21^b H31E_21 109.5 . . ?
C30_21^b C31_21^b H31F_21 109.5 . . ?
H31D_21 C31_21^b H31E_21 109.5 . . ?
H31D_21 C31_21^b H31F_21 109.5 . . ?
H31E_21 C31_21^b H31F_21 109.5 . . ?
C30_21^b C32_21^b H32D_21 109.5 . . ?
C30_21^b C32_21^b H32E_21 109.5 . . ?
C30_21^b C32_21^b H32F_21 109.5 . . ?
H32D_21 C32_21^b H32E_21 109.5 . . ?
H32D_21 C32_21^b H32F_21 109.5 . . ?
H32E_21 C32_21^b H32F_21 109.5 . . ?
C30_21^b C33_21^b H33D_21 109.5 . . ?
C30_21^b C33_21^b H33E_21 109.5 . . ?
C30_21^b C33_21^b H33F_21 109.5 . . ?
H33D_21 C33_21^b H33E_21 109.5 . . ?
H33D_21 C33_21^b H33F_21 109.5 . . ?
H33E_21 C33_21^b H33F_21 109.5 . . ?
Cs2_2 O1_22 Cs1_1 65.53(11) . . ?
C4_22 O1_22 Cs1_1 134.0(6) . . ?
C4_22 O1_22 Cs2_2 125.5(6) . . ?
H2A_22 N2_22 H2B_22 120.0 . . ?
C6_22 N2_22 H2A_22 120.0 . . ?
C6_22 N2_22 H2B_22 120.0 . . ?
C11_22 N3_22 C4_22 113.1(7) . . ?
O1_22 C4_22 N3_22 122.1(8) . . ?
O1_22 C4_22 N5_22 119.0(8) . . ?
N3_22 C4_22 N5_22 118.8(8) . . ?
C4_22 N5_22 H5_22 116.2 . . ?
C6_22 N5_22 C4_22 127.7(8) . . ?
C6_22 N5_22 H5_22 116.2 . . ?
N2_22 C6_22 N5_22 120.0(8) . . ?
N2_22 C6_22 C7_22 126.7(9) . . ?
N5_22 C6_22 C7_22 113.3(8) . . ?
N8_22 C7_22 C6_22 130.1(9) . . ?
C11_22 C7_22 C6_22 117.2(8) . . ?
C11_22 C7_22 N8_22 112.8(8) . . ?
C9_22 N8_22 C7_22 102.6(8) . . ?
N8_22 C9_22 H9_22 123.4 . . ?
N8_22 C9_22 N10_22 113.2(8) . . ?
N10_22 C9_22 H9_22 123.4 . . ?
C9_22 N10_22 C11_22 106.0(7) . . ?
C9_22 N10_22 C12_22 126.2(7) . . ?
C11_22 N10_22 C12_22 127.6(7) . . ?
N3_22 C11_22 C7_22 129.9(8) . . ?
N3_22 C11_22 N10_22 124.9(8) . . ?
C7_22 C11_22 N10_22 105.3(7) . . ?
N10_22 C12_22 H12_22 109.2 . . ?
N10_22 C12_22 C16_22 113.8(7) . . ?
O13_22 C12_22 N10_22 108.0(7) . . ?
O13_22 C12_22 H12_22 109.2 . . ?
O13_22 C12_22 C16_22 107.4(6) . . ?
C16_22 C12_22 H12_22 109.2 . . ?
C12_22 O13_22 C14_22 109.8(6) . . ?
O13_22 C14_22 H14_22 109.3 . . ?
O13_22 C14_22 C15_22 103.6(6) . . ?
O13_22 C14_22 C17_22 109.0(7) . . ?
C15_22 C14_22 H14_22 109.3 . . ?
C17_22 C14_22 H14_22 109.3 . . ?
C17_22 C14_22 C15_22 116.1(8) . . ?
C14_22 C15_22 H15_22 110.5 . . ?
C14_22 C15_22 C16_22 100.9(6) . . ?
C16_22 C15_22 H15_22 110.5 . . ?
O26_22 C15_22 C14_22 109.7(7) . . ?
O26_22 C15_22 H15_22 110.5 . . ?
O26_22 C15_22 C16_22 114.4(8) . . ?
C12_22 C16_22 C15_22 101.1(6) . . ?
C12_22 C16_22 H16A_22 111.6 . . ?
C12_22 C16_22 H16B_22 111.6 . . ?
C15_22 C16_22 H16A_22 111.6 . . ?
C15_22 C16_22 H16B_22 111.6 . . ?
H16A_22 C16_22 H16B_22 109.4 . . ?
C14_22 C17_22 H17A_22 109.4 . . ?
C14_22 C17_22 H17B_22 109.4 . . ?
H17A_22 C17_22 H17B_22 108.0 . . ?
O18_22 C17_22 C14_22 111.2(8) . . ?
O18_22 C17_22 H17A_22 109.4 . . ?
O18_22 C17_22 H17B_22 109.4 . . ?
C17_22 O18_22 Si19_22 121.4(6) . . ?
O18_22 Si19_22 C20_22 107.8(6) . . ?
O18_22 Si19_22 C21_22 108.8(6) . . ?
O18_22 Si19_22 C22_22 105.8(4) . . ?
C20_22 Si19_22 C21_22 110.3(7) . . ?
C20_22 Si19_22 C22_22 111.7(7) . . ?
C22_22 Si19_22 C21_22 112.2(6) . . ?
Si19_22 C20_22 H20A_22 109.5 . . ?
Si19_22 C20_22 H20B_22 109.5 . . ?
Si19_22 C20_22 H20C_22 109.5 . . ?
H20A_22 C20_22 H20B_22 109.5 . . ?
H20A_22 C20_22 H20C_22 109.5 . . ?
H20B_22 C20_22 H20C_22 109.5 . . ?
Si19_22 C21_22 H21A_22 109.5 . . ?
Si19_22 C21_22 H21B_22 109.5 . . ?
Si19_22 C21_22 H21C_22 109.5 . . ?
H21A_22 C21_22 H21B_22 109.5 . . ?
H21A_22 C21_22 H21C_22 109.5 . . ?
H21B_22 C21_22 H21C_22 109.5 . . ?
C23_22 C22_22 Si19_22 109.8(10) . . ?
C23_22 C22_22 C24_22 110.1(11) . . ?
C23_22 C22_22 C25_22 110.8(11) . . ?
C24_22 C22_22 Si19_22 109.2(10) . . ?
C24_22 C22_22 C25_22 106.1(11) . . ?
C25_22 C22_22 Si19_22 110.8(9) . . ?
C22_22 C23_22 H23A_22 109.5 . . ?
C22_22 C23_22 H23B_22 109.5 . . ?
C22_22 C23_22 H23C_22 109.5 . . ?
H23A_22 C23_22 H23B_22 109.5 . . ?
H23A_22 C23_22 H23C_22 109.5 . . ?
H23B_22 C23_22 H23C_22 109.5 . . ?
C22_22 C24_22 H24A_22 109.5 . . ?
C22_22 C24_22 H24B_22 109.5 . . ?
C22_22 C24_22 H24C_22 109.5 . . ?
H24A_22 C24_22 H24B_22 109.5 . . ?
H24A_22 C24_22 H24C_22 109.5 . . ?
H24B_22 C24_22 H24C_22 109.5 . . ?
C22_22 C25_22 H25A_22 109.5 . . ?
C22_22 C25_22 H25B_22 109.5 . . ?
C22_22 C25_22 H25C_22 109.5 . . ?
H25A_22 C25_22 H25B_22 109.5 . . ?
H25A_22 C25_22 H25C_22 109.5 . . ?
H25B_22 C25_22 H25C_22 109.5 . . ?
C15_22 O26_22 Si27_22^a 128.5(7) . . ?
C15_22 O26_22 Si27_22^b 123.6(8) . . ?
O26_22 Si27_22^a C28_22^a 107.4(11) . . ?
O26_22 Si27_22^a C29_22^a 111.1(10) . . ?
O26_22 Si27_22^a C30_22^a 108.7(8) . . ?
C28_22^a Si27_22^a C30_22^a 109.7(11) . . ?
C29_22^a Si27_22^a C28_22^a 109.3(12) . . ?
C29_22^a Si27_22^a C30_22^a 110.6(11) . . ?
Si27_22^a C28_22^a H28A_22 109.5 . . ?
Si27_22^a C28_22^a H28B_22 109.5 . . ?
Si27_22^a C28_22^a H28C_22 109.5 . . ?
H28A_22 C28_22^a H28B_22 109.5 . . ?
H28A_22 C28_22^a H28C_22 109.5 . . ?
H28B_22 C28_22^a H28C_22 109.5 . . ?
Si27_22^a C29_22^a H29A_22 109.5 . . ?
Si27_22^a C29_22^a H29B_22 109.5 . . ?
Si27_22^a C29_22^a H29C_22 109.5 . . ?
H29A_22 C29_22^a H29B_22 109.5 . . ?
H29A_22 C29_22^a H29C_22 109.5 . . ?
H29B_22 C29_22^a H29C_22 109.5 . . ?
C31_22^a C30_22^a Si27_22^a 109.5(13) . . ?
C31_22^a C30_22^a C32_22^a 112.5(16) . . ?
C31_22^a C30_22^a C33_22^a 108.5(14) . . ?
C32_22^a C30_22^a Si27_22^a 109.9(14) . . ?
C33_22^a C30_22^a Si27_22^a 109.5(13) . . ?
C33_22^a C30_22^a C32_22^a 106.8(15) . . ?
C30_22^a C31_22^a H31A_22 109.5 . . ?
C30_22^a C31_22^a H31B_22 109.5 . . ?
C30_22^a C31_22^a H31C_22 109.5 . . ?
H31A_22 C31_22^a H31B_22 109.5 . . ?
H31A_22 C31_22^a H31C_22 109.5 . . ?
H31B_22 C31_22^a H31C_22 109.5 . . ?
C30_22^a C32_22^a H32A_22 109.5 . . ?
C30_22^a C32_22^a H32B_22 109.5 . . ?
C30_22^a C32_22^a H32C_22 109.5 . . ?
H32A_22 C32_22^a H32B_22 109.5 . . ?
H32A_22 C32_22^a H32C_22 109.5 . . ?
H32B_22 C32_22^a H32C_22 109.5 . . ?
C30_22^a C33_22^a H33A_22 109.5 . . ?
C30_22^a C33_22^a H33B_22 109.5 . . ?
C30_22^a C33_22^a H33C_22 109.5 . . ?
H33A_22 C33_22^a H33B_22 109.5 . . ?
H33A_22 C33_22^a H33C_22 109.5 . . ?
H33B_22 C33_22^a H33C_22 109.5 . . ?
O26_22 Si27_22^b C28_22^b 108.2(12) . . ?
O26_22 Si27_22^b C29_22^b 110.1(11) . . ?
O26_22 Si27_22^b C30_22^b 107.1(8) . . ?
C28_22^b Si27_22^b C29_22^b 108.9(13) . . ?
C28_22^b Si27_22^b C30_22^b 110.8(12) . . ?
C29_22^b Si27_22^b C30_22^b 111.6(12) . . ?
Si27_22^b C28_22^b H28D_22 109.5 . . ?
Si27_22^b C28_22^b H28E_22 109.5 . . ?
Si27_22^b C28_22^b H28F_22 109.5 . . ?
H28D_22 C28_22^b H28E_22 109.5 . . ?
H28D_22 C28_22^b H28F_22 109.5 . . ?
H28E_22 C28_22^b H28F_22 109.5 . . ?
Si27_22^b C29_22^b H29D_22 109.5 . . ?
Si27_22^b C29_22^b H29E_22 109.5 . . ?
Si27_22^b C29_22^b H29F_22 109.5 . . ?
H29D_22 C29_22^b H29E_22 109.5 . . ?
H29D_22 C29_22^b H29F_22 109.5 . . ?
H29E_22 C29_22^b H29F_22 109.5 . . ?
C31_22^b C30_22^b Si27_22^b 111.7(14) . . ?
C31_22^b C30_22^b C32_22^b 109.0(16) . . ?
C31_22^b C30_22^b C33_22^b 108.3(15) . . ?
C32_22^b C30_22^b Si27_22^b 108.6(14) . . ?
C33_22^b C30_22^b Si27_22^b 110.3(13) . . ?
C33_22^b C30_22^b C32_22^b 108.9(16) . . ?
C30_22^b C31_22^b H31D_22 109.5 . . ?
C30_22^b C31_22^b H31E_22 109.5 . . ?
C30_22^b C31_22^b H31F_22 109.5 . . ?
H31D_22 C31_22^b H31E_22 109.5 . . ?
H31D_22 C31_22^b H31F_22 109.5 . . ?
H31E_22 C31_22^b H31F_22 109.5 . . ?
C30_22^b C32_22^b H32D_22 109.5 . . ?
C30_22^b C32_22^b H32E_22 109.5 . . ?
C30_22^b C32_22^b H32F_22 109.5 . . ?
H32D_22 C32_22^b H32E_22 109.5 . . ?
H32D_22 C32_22^b H32F_22 109.5 . . ?
H32E_22 C32_22^b H32F_22 109.5 . . ?
C30_22^b C33_22^b H33D_22 109.5 . . ?
C30_22^b C33_22^b H33E_22 109.5 . . ?
C30_22^b C33_22^b H33F_22 109.5 . . ?
H33D_22 C33_22^b H33E_22 109.5 . . ?
H33D_22 C33_22^b H33F_22 109.5 . . ?
H33E_22 C33_22^b H33F_22 109.5 . . ?
Cs2_2 O1_23 Cs1_1 66.84(13) . . ?
C4_23 O1_23 Cs1_1 129.7(7) . . ?
C4_23 O1_23 Cs2_2 132.2(6) . . ?
H2A_23 N2_23 H2B_23 120.0 . . ?
C6_23 N2_23 H2A_23 120.0 . . ?
C6_23 N2_23 H2B_23 120.0 . . ?
C4_23 N3_23 C11_23 112.2(9) . . ?
O1_23 C4_23 N3_23 121.8(9) . . ?
O1_23 C4_23 N5_23 115.7(9) . . ?
N3_23 C4_23 N5_23 122.4(9) . . ?
C4_23 N5_23 H5_23 117.3 . . ?
C6_23 N5_23 C4_23 125.4(9) . . ?
C6_23 N5_23 H5_23 117.3 . . ?
N2_23 C6_23 N5_23 121.4(10) . . ?
N2_23 C6_23 C7_23 126.2(9) . . ?
N5_23 C6_23 C7_23 112.4(9) . . ?
C6_23 C7_23 N8_23 129.8(9) . . ?
C11_23 C7_23 C6_23 118.8(9) . . ?
C11_23 C7_23 N8_23 111.0(10) . . ?
C9_23 N8_23 C7_23 103.4(9) . . ?
N8_23 C9_23 H9_23 122.9 . . ?
N8_23 C9_23 N10_23 114.1(10) . . ?
N10_23 C9_23 H9_23 122.9 . . ?
C9_23 N10_23 C11_23 105.6(9) . . ?
C9_23 N10_23 C12_23 128.6(9) . . ?
C11_23 N10_23 C12_23 125.7(8) . . ?
N3_23 C11_23 C7_23 128.6(10) . . ?
N3_23 C11_23 N10_23 125.7(10) . . ?
C7_23 C11_23 N10_23 105.7(9) . . ?
N10_23 C12_23 H12_23 110.1 . . ?
N10_23 C12_23 C16_23 111.9(10) . . ?
O13_23 C12_23 N10_23 108.6(9) . . ?
O13_23 C12_23 H12_23 110.1 . . ?
O13_23 C12_23 C16_23 106.0(8) . . ?
C16_23 C12_23 H12_23 110.1 . . ?
C14_23 O13_23 C12_23 109.9(9) . . ?
O13_23 C14_23 H14_23 109.2 . . ?
O13_23 C14_23 C15_23 106.1(9) . . ?
O13_23 C14_23 C17_23 108.4(12) . . ?
C15_23 C14_23 H14_23 109.2 . . ?
C17_23 C14_23 H14_23 109.2 . . ?
C17_23 C14_23 C15_23 114.6(13) . . ?
C14_23 C15_23 H15_23 112.7 . . ?
C14_23 C15_23 H15A_23 108.7 . . ?
C16_23 C15_23 C14_23 100.0(9) . . ?
C16_23 C15_23 H15_23 112.7 . . ?
C16_23 C15_23 H15A_23 108.7 . . ?
O26_23^a C15_23 C14_23 100.5(13) . . ?
O26_23^a C15_23 H15_23 112.7 . . ?
O26_23^a C15_23 C16_23 117.0(13) . . ?
O26_23^b C15_23 C14_23 117.8(12) . . ?
O26_23^b C15_23 H15A_23 108.7 . . ?
O26_23^b C15_23 C16_23 112.3(12) . . ?
C12_23 C16_23 H16A_23 111.4 . . ?
C12_23 C16_23 H16B_23 111.4 . . ?
C15_23 C16_23 C12_23 102.1(8) . . ?
C15_23 C16_23 H16A_23 111.4 . . ?
C15_23 C16_23 H16B_23 111.4 . . ?
H16A_23 C16_23 H16B_23 109.2 . . ?
C14_23 C17_23 H17A_23 109.5 . . ?
C14_23 C17_23 H17B_23 109.5 . . ?
H17A_23 C17_23 H17B_23 108.1 . . ?
O18_23 C17_23 C14_23 110.9(12) . . ?
O18_23 C17_23 H17A_23 109.5 . . ?
O18_23 C17_23 H17B_23 109.5 . . ?
C17_23 O18_23 Si19_23 128.5(11) . . ?
O18_23 Si19_23 C20_23 112.1(10) . . ?
O18_23 Si19_23 C21_23 106.4(10) . . ?
O18_23 Si19_23 C22_23 106.6(10) . . ?
C20_23 Si19_23 C21_23 110.5(13) . . ?
C20_23 Si19_23 C22_23 110.1(11) . . ?
C21_23 Si19_23 C22_23 111.0(12) . . ?
Si19_23 C20_23 H20A_23 109.5 . . ?
Si19_23 C20_23 H20B_23 109.5 . . ?
Si19_23 C20_23 H20C_23 109.5 . . ?
H20A_23 C20_23 H20B_23 109.5 . . ?
H20A_23 C20_23 H20C_23 109.5 . . ?
H20B_23 C20_23 H20C_23 109.5 . . ?
Si19_23 C21_23 H21A_23 109.5 . . ?
Si19_23 C21_23 H21B_23 109.5 . . ?
Si19_23 C21_23 H21C_23 109.5 . . ?
H21A_23 C21_23 H21B_23 109.5 . . ?
H21A_23 C21_23 H21C_23 109.5 . . ?
H21B_23 C21_23 H21C_23 109.5 . . ?
C23_23 C22_23 Si19_23 108.1(15) . . ?
C24_23 C22_23 Si19_23 109.2(13) . . ?
C24_23 C22_23 C23_23 109.3(16) . . ?
C25_23 C22_23 Si19_23 110.6(15) . . ?
C25_23 C22_23 C23_23 109.6(17) . . ?
C25_23 C22_23 C24_23 110.1(16) . . ?
C22_23 C23_23 H23A_23 109.5 . . ?
C22_23 C23_23 H23B_23 109.5 . . ?
C22_23 C23_23 H23C_23 109.5 . . ?
H23A_23 C23_23 H23B_23 109.5 . . ?
H23A_23 C23_23 H23C_23 109.5 . . ?
H23B_23 C23_23 H23C_23 109.5 . . ?
C22_23 C24_23 H24A_23 109.5 . . ?
C22_23 C24_23 H24B_23 109.5 . . ?
C22_23 C24_23 H24C_23 109.5 . . ?
H24A_23 C24_23 H24B_23 109.5 . . ?
H24A_23 C24_23 H24C_23 109.5 . . ?
H24B_23 C24_23 H24C_23 109.5 . . ?
C22_23 C25_23 H25A_23 109.5 . . ?
C22_23 C25_23 H25B_23 109.5 . . ?
C22_23 C25_23 H25C_23 109.5 . . ?
H25A_23 C25_23 H25B_23 109.5 . . ?
H25A_23 C25_23 H25C_23 109.5 . . ?
H25B_23 C25_23 H25C_23 109.5 . . ?
C15_23 O26_23^a Si27_23^a 118.0(13) . . ?
O26_23^a Si27_23^a C28_23^a 110.9(11) . . ?
O26_23^a Si27_23^a C29_23^a 109.9(13) . . ?
O26_23^a Si27_23^a C30_23^a 101.8(10) . . ?
C28_23^a Si27_23^a C29_23^a 110.9(13) . . ?
C28_23^a Si27_23^a C30_23^a 111.0(13) . . ?
C29_23^a Si27_23^a C30_23^a 112.0(12) . . ?
Si27_23^a C28_23^a H28A_23 109.5 . . ?
Si27_23^a C28_23^a H28B_23 109.5 . . ?
Si27_23^a C28_23^a H28C_23 109.5 . . ?
H28A_23 C28_23^a H28B_23 109.5 . . ?
H28A_23 C28_23^a H28C_23 109.5 . . ?
H28B_23 C28_23^a H28C_23 109.5 . . ?
Si27_23^a C29_23^a H29A_23 109.5 . . ?
Si27_23^a C29_23^a H29B_23 109.5 . . ?
Si27_23^a C29_23^a H29C_23 109.5 . . ?
H29A_23 C29_23^a H29B_23 109.5 . . ?
H29A_23 C29_23^a H29C_23 109.5 . . ?
H29B_23 C29_23^a H29C_23 109.5 . . ?
C31_23^a C30_23^a Si27_23^a 110.2(16) . . ?
C31_23^a C30_23^a C32_23^a 107.5(17) . . ?
C32_23^a C30_23^a Si27_23^a 110.0(15) . . ?
C33_23^a C30_23^a Si27_23^a 110.3(15) . . ?
C33_23^a C30_23^a C31_23^a 108.9(18) . . ?
C33_23^a C30_23^a C32_23^a 109.8(17) . . ?
C30_23^a C31_23^a H31A_23 109.5 . . ?
C30_23^a C31_23^a H31B_23 109.5 . . ?
C30_23^a C31_23^a H31C_23 109.5 . . ?
H31A_23 C31_23^a H31B_23 109.5 . . ?
H31A_23 C31_23^a H31C_23 109.5 . . ?
H31B_23 C31_23^a H31C_23 109.5 . . ?
C30_23^a C32_23^a H32A_23 109.5 . . ?
C30_23^a C32_23^a H32B_23 109.5 . . ?
C30_23^a C32_23^a H32C_23 109.5 . . ?
H32A_23 C32_23^a H32B_23 109.5 . . ?
H32A_23 C32_23^a H32C_23 109.5 . . ?
H32B_23 C32_23^a H32C_23 109.5 . . ?
C30_23^a C33_23^a H33A_23 109.5 . . ?
C30_23^a C33_23^a H33B_23 109.5 . . ?
C30_23^a C33_23^a H33C_23 109.5 . . ?
H33A_23 C33_23^a H33B_23 109.5 . . ?
H33A_23 C33_23^a H33C_23 109.5 . . ?
H33B_23 C33_23^a H33C_23 109.5 . . ?
C15_23 O26_23^b Si27_23^b 132.9(14) . . ?
O26_23^b Si27_23^b C28_23^b 107.4(11) . . ?
O26_23^b Si27_23^b C29_23^b 111.4(12) . . ?
O26_23^b Si27_23^b C30_23^b 104.2(8) . . ?
C28_23^b Si27_23^b C30_23^b 111.9(11) . . ?
C29_23^b Si27_23^b C28_23^b 108.9(12) . . ?
C29_23^b Si27_23^b C30_23^b 112.8(12) . . ?
Si27_23^b C28_23^b H28D_23 109.5 . . ?
Si27_23^b C28_23^b H28E_23 109.5 . . ?
Si27_23^b C28_23^b H28F_23 109.5 . . ?
H28D_23 C28_23^b H28E_23 109.5 . . ?
H28D_23 C28_23^b H28F_23 109.5 . . ?
H28E_23 C28_23^b H28F_23 109.5 . . ?
Si27_23^b C29_23^b H29D_23 109.5 . . ?
Si27_23^b C29_23^b H29E_23 109.5 . . ?
Si27_23^b C29_23^b H29F_23 109.5 . . ?
H29D_23 C29_23^b H29E_23 109.5 . . ?
H29D_23 C29_23^b H29F_23 109.5 . . ?
H29E_23 C29_23^b H29F_23 109.5 . . ?
C31_23^b C30_23^b Si27_23^b 111.3(13) . . ?
C31_23^b C30_23^b C32_23^b 110.6(15) . . ?
C31_23^b C30_23^b C33_23^b 109.5(15) . . ?
C32_23^b C30_23^b Si27_23^b 110.0(13) . . ?
C33_23^b C30_23^b Si27_23^b 109.1(13) . . ?
C33_23^b C30_23^b C32_23^b 106.1(15) . . ?
C30_23^b C31_23^b H31D_23 109.5 . . ?
C30_23^b C31_23^b H31E_23 109.5 . . ?
C30_23^b C31_23^b H31F_23 109.5 . . ?
H31D_23 C31_23^b H31E_23 109.5 . . ?
H31D_23 C31_23^b H31F_23 109.5 . . ?
H31E_23 C31_23^b H31F_23 109.5 . . ?
C30_23^b C32_23^b H32D_23 109.5 . . ?
C30_23^b C32_23^b H32E_23 109.5 . . ?
C30_23^b C32_23^b H32F_23 109.5 . . ?
H32D_23 C32_23^b H32E_23 109.5 . . ?
H32D_23 C32_23^b H32F_23 109.5 . . ?
H32E_23 C32_23^b H32F_23 109.5 . . ?
C30_23^b C33_23^b H33D_23 109.5 . . ?
C30_23^b C33_23^b H33E_23 109.5 . . ?
C30_23^b C33_23^b H33F_23 109.5 . . ?
H33D_23 C33_23^b H33E_23 109.5 . . ?
H33D_23 C33_23^b H33F_23 109.5 . . ?
H33E_23 C33_23^b H33F_23 109.5 . . ?
Cs2_2 O1_24 Cs1_1 64.86(12) . . ?
C4_24 O1_24 Cs1_1 120.6(7) . . ?
C4_24 O1_24 Cs2_2 143.6(6) . . ?
H2A_24 N2_24 H2B_24 120.0 . . ?
C6_24 N2_24 H2A_24 120.0 . . ?
C6_24 N2_24 H2B_24 120.0 . . ?
C11_24 N3_24 C4_24 114.0(8) . . ?
O1_24 C4_24 N3_24 124.3(9) . . ?
O1_24 C4_24 N5_24 116.8(8) . . ?
N3_24 C4_24 N5_24 118.8(8) . . ?
C4_24 N5_24 H5_24 116.7 . . ?
C6_24 N5_24 C4_24 126.6(8) . . ?
C6_24 N5_24 H5_24 116.7 . . ?
N2_24 C6_24 N5_24 120.8(8) . . ?
N2_24 C6_24 C7_24 125.8(9) . . ?
N5_24 C6_24 C7_24 113.3(9) . . ?
N8_24 C7_24 C6_24 129.6(9) . . ?
C11_24 C7_24 C6_24 118.5(9) . . ?
C11_24 C7_24 N8_24 111.9(8) . . ?
C9_24 N8_24 C7_24 102.7(9) . . ?
N8_24 C9_24 H9_24 122.7 . . ?
N8_24 C9_24 N10_24 114.7(9) . . ?
N10_24 C9_24 H9_24 122.7 . . ?
C9_24 N10_24 C12_24 126.6(8) . . ?
C11_24 N10_24 C9_24 104.5(8) . . ?
C11_24 N10_24 C12_24 128.8(10) . . ?
N3_24 C11_24 C7_24 128.7(8) . . ?
N3_24 C11_24 N10_24 125.1(10) . . ?
C7_24 C11_24 N10_24 106.2(10) . . ?
N10_24 C12_24 H12_24 108.7 . . ?
N10_24 C12_24 C16_24 113.4(10) . . ?
O13_24 C12_24 N10_24 110.4(10) . . ?
O13_24 C12_24 H12_24 108.7 . . ?
O13_24 C12_24 C16_24 106.7(8) . . ?
C16_24 C12_24 H12_24 108.7 . . ?
C12_24 O13_24 C14_24 109.1(9) . . ?
O13_24 C14_24 H14_24 108.9 . . ?
O13_24 C14_24 C15_24 106.7(8) . . ?
O13_24 C14_24 C17_24 106.0(11) . . ?
C15_24 C14_24 H14_24 108.9 . . ?
C17_24 C14_24 H14_24 108.9 . . ?
C17_24 C14_24 C15_24 117.2(13) . . ?
C14_24 C15_24 H15A_24 109.6 . . ?
C14_24 C15_24 H15_24 112.1 . . ?
C16_24 C15_24 C14_24 100.3(9) . . ?
C16_24 C15_24 H15A_24 109.6 . . ?
C16_24 C15_24 H15_24 112.1 . . ?
O26_24^b C15_24 C14_24 114.0(13) . . ?
O26_24^b C15_24 H15A_24 109.6 . . ?
O26_24^b C15_24 C16_24 113.3(16) . . ?
O26_24^a C15_24 C14_24 107.0(12) . . ?
O26_24^a C15_24 H15_24 112.1 . . ?
O26_24^a C15_24 C16_24 112.5(13) . . ?
C12_24 C16_24 H16A_24 111.2 . . ?
C12_24 C16_24 H16B_24 111.2 . . ?
C15_24 C16_24 C12_24 102.8(8) . . ?
C15_24 C16_24 H16A_24 111.2 . . ?
C15_24 C16_24 H16B_24 111.2 . . ?
H16A_24 C16_24 H16B_24 109.1 . . ?
C14_24 C17_24 H17A_24 110.0 . . ?
C14_24 C17_24 H17B_24 110.0 . . ?
H17A_24 C17_24 H17B_24 108.3 . . ?
O18_24 C17_24 C14_24 108.7(12) . . ?
O18_24 C17_24 H17A_24 110.0 . . ?
O18_24 C17_24 H17B_24 110.0 . . ?
C17_24 O18_24 Si19_24 121.7(12) . . ?
O18_24 Si19_24 C20_24 104.1(9) . . ?
O18_24 Si19_24 C21_24 114.4(11) . . ?
O18_24 Si19_24 C22_24 108.5(8) . . ?
C21_24 Si19_24 C20_24 104.7(11) . . ?
C22_24 Si19_24 C20_24 112.7(10) . . ?
C22_24 Si19_24 C21_24 112.2(10) . . ?
Si19_24 C20_24 H20A_24 109.5 . . ?
Si19_24 C20_24 H20B_24 109.5 . . ?
Si19_24 C20_24 H20C_24 109.5 . . ?
H20A_24 C20_24 H20B_24 109.5 . . ?
H20A_24 C20_24 H20C_24 109.5 . . ?
H20B_24 C20_24 H20C_24 109.5 . . ?
Si19_24 C21_24 H21A_24 109.5 . . ?
Si19_24 C21_24 H21B_24 109.5 . . ?
Si19_24 C21_24 H21C_24 109.5 . . ?
H21A_24 C21_24 H21B_24 109.5 . . ?
H21A_24 C21_24 H21C_24 109.5 . . ?
H21B_24 C21_24 H21C_24 109.5 . . ?
C23_24 C22_24 Si19_24 100.3(12) . . ?
C24_24 C22_24 Si19_24 110.3(13) . . ?
C24_24 C22_24 C23_24 113.2(16) . . ?
C24_24 C22_24 C25_24 112.8(15) . . ?
C25_24 C22_24 Si19_24 105.6(12) . . ?
C25_24 C22_24 C23_24 113.6(16) . . ?
C22_24 C23_24 H23A_24 109.5 . . ?
C22_24 C23_24 H23B_24 109.5 . . ?
C22_24 C23_24 H23C_24 109.5 . . ?
H23A_24 C23_24 H23B_24 109.5 . . ?
H23A_24 C23_24 H23C_24 109.5 . . ?
H23B_24 C23_24 H23C_24 109.5 . . ?
C22_24 C24_24 H24A_24 109.5 . . ?
C22_24 C24_24 H24B_24 109.5 . . ?
C22_24 C24_24 H24C_24 109.5 . . ?
H24A_24 C24_24 H24B_24 109.5 . . ?
H24A_24 C24_24 H24C_24 109.5 . . ?
H24B_24 C24_24 H24C_24 109.5 . . ?
C22_24 C25_24 H25A_24 109.5 . . ?
C22_24 C25_24 H25B_24 109.5 . . ?
C22_24 C25_24 H25C_24 109.5 . . ?
H25A_24 C25_24 H25B_24 109.5 . . ?
H25A_24 C25_24 H25C_24 109.5 . . ?
H25B_24 C25_24 H25C_24 109.5 . . ?
C15_24 O26_24^b Si27_24^b 125.7(17) . . ?
O26_24^b Si27_24^b C28_24^b 108.5(15) . . ?
O26_24^b Si27_24^b C29_24^b 111.5(14) . . ?
O26_24^b Si27_24^b C30_24^b 104.9(12) . . ?
C28_24^b Si27_24^b C30_24^b 113.0(15) . . ?
C29_24^b Si27_24^b C28_24^b 106.2(14) . . ?
C29_24^b Si27_24^b C30_24^b 112.7(14) . . ?
Si27_24^b C28_24^b H28A_24 109.5 . . ?
Si27_24^b C28_24^b H28B_24 109.5 . . ?
Si27_24^b C28_24^b H28C_24 109.5 . . ?
H28A_24 C28_24^b H28B_24 109.5 . . ?
H28A_24 C28_24^b H28C_24 109.5 . . ?
H28B_24 C28_24^b H28C_24 109.5 . . ?
Si27_24^b C29_24^b H29A_24 109.5 . . ?
Si27_24^b C29_24^b H29B_24 109.5 . . ?
Si27_24^b C29_24^b H29C_24 109.5 . . ?
H29A_24 C29_24^b H29B_24 109.5 . . ?
H29A_24 C29_24^b H29C_24 109.5 . . ?
H29B_24 C29_24^b H29C_24 109.5 . . ?
C31_24^b C30_24^b Si27_24^b 111.2(16) . . ?
C31_24^b C30_24^b C32_24^b 107.6(18) . . ?
C31_24^b C30_24^b C33_24^b 108.2(18) . . ?
C32_24^b C30_24^b Si27_24^b 110.4(16) . . ?
C33_24^b C30_24^b Si27_24^b 112.4(17) . . ?
C33_24^b C30_24^b C32_24^b 106.9(18) . . ?
C30_24^b C31_24^b H31A_24 109.5 . . ?
C30_24^b C31_24^b H31B_24 109.5 . . ?
C30_24^b C31_24^b H31C_24 109.5 . . ?
H31A_24 C31_24^b H31B_24 109.5 . . ?
H31A_24 C31_24^b H31C_24 109.5 . . ?
H31B_24 C31_24^b H31C_24 109.5 . . ?
C30_24^b C32_24^b H32A_24 109.5 . . ?
C30_24^b C32_24^b H32B_24 109.5 . . ?
C30_24^b C32_24^b H32C_24 109.5 . . ?
H32A_24 C32_24^b H32B_24 109.5 . . ?
H32A_24 C32_24^b H32C_24 109.5 . . ?
H32B_24 C32_24^b H32C_24 109.5 . . ?
C30_24^b C33_24^b H33A_24 109.5 . . ?
C30_24^b C33_24^b H33B_24 109.5 . . ?
C30_24^b C33_24^b H33C_24 109.5 . . ?
H33A_24 C33_24^b H33B_24 109.5 . . ?
H33A_24 C33_24^b H33C_24 109.5 . . ?
H33B_24 C33_24^b H33C_24 109.5 . . ?
C15_24 O26_24^a Si27_24^a 120.6(13) . . ?
O26_24^a Si27_24^a C28_24^a 107.8(13) . . ?
O26_24^a Si27_24^a C29_24^a 107.7(12) . . ?
O26_24^a Si27_24^a C30_24^a 108.3(10) . . ?
C28_24^a Si27_24^a C29_24^a 109.3(14) . . ?
C30_24^a Si27_24^a C28_24^a 111.8(13) . . ?
C30_24^a Si27_24^a C29_24^a 111.8(13) . . ?
Si27_24^a C28_24^a H28D_24 109.5 . . ?
Si27_24^a C28_24^a H28E_24 109.5 . . ?
Si27_24^a C28_24^a H28F_24 109.5 . . ?
H28D_24 C28_24^a H28E_24 109.5 . . ?
H28D_24 C28_24^a H28F_24 109.5 . . ?
H28E_24 C28_24^a H28F_24 109.5 . . ?
Si27_24^a C29_24^a H29D_24 109.5 . . ?
Si27_24^a C29_24^a H29E_24 109.5 . . ?
Si27_24^a C29_24^a H29F_24 109.5 . . ?
H29D_24 C29_24^a H29E_24 109.5 . . ?
H29D_24 C29_24^a H29F_24 109.5 . . ?
H29E_24 C29_24^a H29F_24 109.5 . . ?
C31_24^a C30_24^a Si27_24^a 111.3(15) . . ?
C31_24^a C30_24^a C32_24^a 108.2(17) . . ?
C31_24^a C30_24^a C33_24^a 110.8(17) . . ?
C32_24^a C30_24^a Si27_24^a 110.5(15) . . ?
C32_24^a C30_24^a C33_24^a 108.1(17) . . ?
C33_24^a C30_24^a Si27_24^a 107.9(14) . . ?
C30_24^a C31_24^a H31D_24 109.5 . . ?
C30_24^a C31_24^a H31E_24 109.5 . . ?
C30_24^a C31_24^a H31F_24 109.5 . . ?
H31D_24 C31_24^a H31E_24 109.5 . . ?
H31D_24 C31_24^a H31F_24 109.5 . . ?
H31E_24 C31_24^a H31F_24 109.5 . . ?
C30_24^a C32_24^a H32D_24 109.5 . . ?
C30_24^a C32_24^a H32E_24 109.5 . . ?
C30_24^a C32_24^a H32F_24 109.5 . . ?
H32D_24 C32_24^a H32E_24 109.5 . . ?
H32D_24 C32_24^a H32F_24 109.5 . . ?
H32E_24 C32_24^a H32F_24 109.5 . . ?
C30_24^a C33_24^a H33D_24 109.5 . . ?
C30_24^a C33_24^a H33E_24 109.5 . . ?
C30_24^a C33_24^a H33F_24 109.5 . . ?
H33D_24 C33_24^a H33E_24 109.5 . . ?
H33D_24 C33_24^a H33F_24 109.5 . . ?
H33E_24 C33_24^a H33F_24 109.5 . . ?
Cs1_1 O1_25 Cs2_2 63.93(11) . . ?
C4_25 O1_25 Cs1_1 125.6(6) . . ?
C4_25 O1_25 Cs2_2 136.2(6) . . ?
H2A_25 N2_25 H2B_25 120.0 . . ?
C6_25 N2_25 H2A_25 120.0 . . ?
C6_25 N2_25 H2B_25 120.0 . . ?
C11_25 N3_25 C4_25 114.5(8) . . ?
O1_25 C4_25 N3_25 124.4(8) . . ?
O1_25 C4_25 N5_25 115.7(8) . . ?
N3_25 C4_25 N5_25 119.9(8) . . ?
C4_25 N5_25 H5_25 117.4 . . ?
C6_25 N5_25 C4_25 125.1(8) . . ?
C6_25 N5_25 H5_25 117.4 . . ?
N2_25 C6_25 N5_25 120.5(8) . . ?
N2_25 C6_25 C7_25 125.0(8) . . ?
N5_25 C6_25 C7_25 114.5(8) . . ?
N8_25 C7_25 C6_25 130.3(8) . . ?
C11_25 C7_25 C6_25 117.4(8) . . ?
C11_25 C7_25 N8_25 112.3(8) . . ?
C9_25 N8_25 C7_25 102.8(9) . . ?
N8_25 C9_25 H9_25 122.8 . . ?
N8_25 C9_25 N10_25 114.5(9) . . ?
N10_25 C9_25 H9_25 122.8 . . ?
C9_25 N10_25 C11_25 105.8(7) . . ?
C9_25 N10_25 C12_25 126.8(8) . . ?
C11_25 N10_25 C12_25 127.4(9) . . ?
N3_25 C11_25 C7_25 128.6(9) . . ?
N3_25 C11_25 N10_25 126.7(9) . . ?
C7_25 C11_25 N10_25 104.7(8) . . ?
N10_25 C12_25 H12_25 110.2 . . ?
N10_25 C12_25 C16_25 111.8(10) . . ?
O13_25 C12_25 N10_25 108.4(8) . . ?
O13_25 C12_25 H12_25 110.2 . . ?
O13_25 C12_25 C16_25 106.0(7) . . ?
C16_25 C12_25 H12_25 110.2 . . ?
C12_25 O13_25 C14_25 110.3(7) . . ?
O13_25 C14_25 H14_25 109.4 . . ?
O13_25 C14_25 C15_25 105.6(7) . . ?
O13_25 C14_25 C17_25 108.5(8) . . ?
C15_25 C14_25 H14_25 109.4 . . ?
C17_25 C14_25 H14_25 109.4 . . ?
C17_25 C14_25 C15_25 114.5(10) . . ?
C14_25 C15_25 H15_25 105.9 . . ?
C14_25 C15_25 H15A_25 117.4 . . ?
C16_25 C15_25 C14_25 101.3(9) . . ?
C16_25 C15_25 H15_25 105.9 . . ?
C16_25 C15_25 H15A_25 117.4 . . ?
O26_25^a C15_25 C14_25 115.5(9) . . ?
O26_25^a C15_25 H15_25 105.9 . . ?
O26_25^a C15_25 C16_25 121.1(10) . . ?
O26_25^b C15_25 C14_25 99.5(10) . . ?
O26_25^b C15_25 H15A_25 117.4 . . ?
O26_25^b C15_25 C16_25 100.7(13) . . ?
C12_25 C16_25 H16A_25 111.0 . . ?
C12_25 C16_25 H16B_25 111.0 . . ?
C15_25 C16_25 C12_25 103.9(8) . . ?
C15_25 C16_25 H16A_25 111.0 . . ?
C15_25 C16_25 H16B_25 111.0 . . ?
H16A_25 C16_25 H16B_25 109.0 . . ?
C14_25 C17_25 H17A_25 108.0 . . ?
C14_25 C17_25 H17B_25 108.0 . . ?
C14_25 C17_25 H17C_25 111.0 . . ?
C14_25 C17_25 H17D_25 111.0 . . ?
H17A_25 C17_25 H17B_25 107.2 . . ?
H17C_25 C17_25 H17D_25 109.0 . . ?
O18_25^a C17_25 C14_25 117.3(10) . . ?
O18_25^a C17_25 H17A_25 108.0 . . ?
O18_25^a C17_25 H17B_25 108.0 . . ?
O18_25^b C17_25 C14_25 103.6(11) . . ?
O18_25^b C17_25 H17C_25 111.0 . . ?
O18_25^b C17_25 H17D_25 111.0 . . ?
C17_25 O18_25^a Si19_25^a 129.9(12) . . ?
O18_25^a Si19_25^a C20_25^a 105.4(10) . . ?
O18_25^a Si19_25^a C21_25^a 110.0(9) . . ?
O18_25^a Si19_25^a C22_25^a 112.4(9) . . ?
C21_25^a Si19_25^a C20_25^a 106.4(10) . . ?
C22_25^a Si19_25^a C20_25^a 109.8(10) . . ?
C22_25^a Si19_25^a C21_25^a 112.3(9) . . ?
Si19_25^a C20_25^a H20A_25 109.5 . . ?
Si19_25^a C20_25^a H20B_25 109.5 . . ?
Si19_25^a C20_25^a H20C_25 109.5 . . ?
H20A_25 C20_25^a H20B_25 109.5 . . ?
H20A_25 C20_25^a H20C_25 109.5 . . ?
H20B_25 C20_25^a H20C_25 109.5 . . ?
Si19_25^a C21_25^a H21A_25 109.5 . . ?
Si19_25^a C21_25^a H21B_25 109.5 . . ?
Si19_25^a C21_25^a H21C_25 109.5 . . ?
H21A_25 C21_25^a H21B_25 109.5 . . ?
H21A_25 C21_25^a H21C_25 109.5 . . ?
H21B_25 C21_25^a H21C_25 109.5 . . ?
C23_25^a C22_25^a Si19_25^a 110.6(13) . . ?
C23_25^a C22_25^a C24_25^a 108.9(15) . . ?
C24_25^a C22_25^a Si19_25^a 110.0(14) . . ?
C25_25^a C22_25^a Si19_25^a 103.9(12) . . ?
C25_25^a C22_25^a C23_25^a 112.6(16) . . ?
C25_25^a C22_25^a C24_25^a 110.8(15) . . ?
C22_25^a C23_25^a H23A_25 109.5 . . ?
C22_25^a C23_25^a H23B_25 109.5 . . ?
C22_25^a C23_25^a H23C_25 109.5 . . ?
H23A_25 C23_25^a H23B_25 109.5 . . ?
H23A_25 C23_25^a H23C_25 109.5 . . ?
H23B_25 C23_25^a H23C_25 109.5 . . ?
C22_25^a C24_25^a H24A_25 109.5 . . ?
C22_25^a C24_25^a H24B_25 109.5 . . ?
C22_25^a C24_25^a H24C_25 109.5 . . ?
H24A_25 C24_25^a H24B_25 109.5 . . ?
H24A_25 C24_25^a H24C_25 109.5 . . ?
H24B_25 C24_25^a H24C_25 109.5 . . ?
C22_25^a C25_25^a H25A_25 109.5 . . ?
C22_25^a C25_25^a H25B_25 109.5 . . ?
C22_25^a C25_25^a H25C_25 109.5 . . ?
H25A_25 C25_25^a H25B_25 109.5 . . ?
H25A_25 C25_25^a H25C_25 109.5 . . ?
H25B_25 C25_25^a H25C_25 109.5 . . ?
C17_25 O18_25^b Si19_25^b 130.9(16) . . ?
O18_25^b Si19_25^b C20_25^b 111.2(13) . . ?
O18_25^b Si19_25^b C21_25^b 108.7(14) . . ?
O18_25^b Si19_25^b C22_25^b 102.5(12) . . ?
C20_25^b Si19_25^b C22_25^b 111.0(13) . . ?
C21_25^b Si19_25^b C20_25^b 111.6(14) . . ?
C21_25^b Si19_25^b C22_25^b 111.5(14) . . ?
Si19_25^b C20_25^b H20D_25 109.5 . . ?
Si19_25^b C20_25^b H20E_25 109.5 . . ?
Si19_25^b C20_25^b H20F_25 109.5 . . ?
H20D_25 C20_25^b H20E_25 109.5 . . ?
H20D_25 C20_25^b H20F_25 109.5 . . ?
H20E_25 C20_25^b H20F_25 109.5 . . ?
Si19_25^b C21_25^b H21D_25 109.5 . . ?
Si19_25^b C21_25^b H21E_25 109.5 . . ?
Si19_25^b C21_25^b H21F_25 109.5 . . ?
H21D_25 C21_25^b H21E_25 109.5 . . ?
H21D_25 C21_25^b H21F_25 109.5 . . ?
H21E_25 C21_25^b H21F_25 109.5 . . ?
C23_25^b C22_25^b Si19_25^b 104.4(15) . . ?
C24_25^b C22_25^b Si19_25^b 112.8(15) . . ?
C24_25^b C22_25^b C23_25^b 108.0(17) . . ?
C24_25^b C22_25^b C25_25^b 109.4(16) . . ?
C25_25^b C22_25^b Si19_25^b 111.3(14) . . ?
C25_25^b C22_25^b C23_25^b 110.8(17) . . ?
C22_25^b C23_25^b H23D_25 109.5 . . ?
C22_25^b C23_25^b H23E_25 109.5 . . ?
C22_25^b C23_25^b H23F_25 109.5 . . ?
H23D_25 C23_25^b H23E_25 109.5 . . ?
H23D_25 C23_25^b H23F_25 109.5 . . ?
H23E_25 C23_25^b H23F_25 109.5 . . ?
C22_25^b C24_25^b H24D_25 109.5 . . ?
C22_25^b C24_25^b H24E_25 109.5 . . ?
C22_25^b C24_25^b H24F_25 109.5 . . ?
H24D_25 C24_25^b H24E_25 109.5 . . ?
H24D_25 C24_25^b H24F_25 109.5 . . ?
H24E_25 C24_25^b H24F_25 109.5 . . ?
C22_25^b C25_25^b H25D_25 109.5 . . ?
C22_25^b C25_25^b H25E_25 109.5 . . ?
C22_25^b C25_25^b H25F_25 109.5 . . ?
H25D_25 C25_25^b H25E_25 109.5 . . ?
H25D_25 C25_25^b H25F_25 109.5 . . ?
H25E_25 C25_25^b H25F_25 109.5 . . ?
C15_25 O26_25^a Si27_25^a 133.4(10) . . ?
O26_25^a Si27_25^a C28_25^a 107.3(10) . . ?
O26_25^a Si27_25^a C29_25^a 111.5(10) . . ?
O26_25^a Si27_25^a C30_25^a 111.1(8) . . ?
C29_25^a Si27_25^a C28_25^a 105.9(12) . . ?
C29_25^a Si27_25^a C30_25^a 111.9(12) . . ?
C30_25^a Si27_25^a C28_25^a 108.9(10) . . ?
Si27_25^a C28_25^a H28A_25 109.5 . . ?
Si27_25^a C28_25^a H28B_25 109.5 . . ?
Si27_25^a C28_25^a H28C_25 109.5 . . ?
H28A_25 C28_25^a H28B_25 109.5 . . ?
H28A_25 C28_25^a H28C_25 109.5 . . ?
H28B_25 C28_25^a H28C_25 109.5 . . ?
Si27_25^a C29_25^a H29A_25 109.5 . . ?
Si27_25^a C29_25^a H29B_25 109.5 . . ?
Si27_25^a C29_25^a H29C_25 109.5 . . ?
H29A_25 C29_25^a H29B_25 109.5 . . ?
H29A_25 C29_25^a H29C_25 109.5 . . ?
H29B_25 C29_25^a H29C_25 109.5 . . ?
C31_25^a C30_25^a Si27_25^a 111.5(14) . . ?
C31_25^a C30_25^a C32_25^a 108.0(16) . . ?
C31_25^a C30_25^a C33_25^a 109.8(15) . . ?
C32_25^a C30_25^a Si27_25^a 109.4(14) . . ?
C33_25^a C30_25^a Si27_25^a 111.0(13) . . ?
C33_25^a C30_25^a C32_25^a 107.0(16) . . ?
C30_25^a C31_25^a H31A_25 109.5 . . ?
C30_25^a C31_25^a H31B_25 109.5 . . ?
C30_25^a C31_25^a H31C_25 109.5 . . ?
H31A_25 C31_25^a H31B_25 109.5 . . ?
H31A_25 C31_25^a H31C_25 109.5 . . ?
H31B_25 C31_25^a H31C_25 109.5 . . ?
C30_25^a C32_25^a H32A_25 109.5 . . ?
C30_25^a C32_25^a H32B_25 109.5 . . ?
C30_25^a C32_25^a H32C_25 109.5 . . ?
H32A_25 C32_25^a H32B_25 109.5 . . ?
H32A_25 C32_25^a H32C_25 109.5 . . ?
H32B_25 C32_25^a H32C_25 109.5 . . ?
C30_25^a C33_25^a H33A_25 109.5 . . ?
C30_25^a C33_25^a H33B_25 109.5 . . ?
C30_25^a C33_25^a H33C_25 109.5 . . ?
H33A_25 C33_25^a H33B_25 109.5 . . ?
H33A_25 C33_25^a H33C_25 109.5 . . ?
H33B_25 C33_25^a H33C_25 109.5 . . ?
C15_25 O26_25^b Si27_25^b 119.9(13) . . ?
O26_25^b Si27_25^b C28_25^b 113.7(12) . . ?
O26_25^b Si27_25^b C29_25^b 107.0(14) . . ?
O26_25^b Si27_25^b C30_25^b 103.9(12) . . ?
C28_25^b Si27_25^b C29_25^b 108.8(14) . . ?
C28_25^b Si27_25^b C30_25^b 114.0(15) . . ?
C29_25^b Si27_25^b C30_25^b 109.1(14) . . ?
Si27_25^b C28_25^b H28D_25 109.5 . . ?
Si27_25^b C28_25^b H28E_25 109.5 . . ?
Si27_25^b C28_25^b H28F_25 109.5 . . ?
H28D_25 C28_25^b H28E_25 109.5 . . ?
H28D_25 C28_25^b H28F_25 109.5 . . ?
H28E_25 C28_25^b H28F_25 109.5 . . ?
Si27_25^b C29_25^b H29D_25 109.5 . . ?
Si27_25^b C29_25^b H29E_25 109.5 . . ?
Si27_25^b C29_25^b H29F_25 109.5 . . ?
H29D_25 C29_25^b H29E_25 109.5 . . ?
H29D_25 C29_25^b H29F_25 109.5 . . ?
H29E_25 C29_25^b H29F_25 109.5 . . ?
C31_25^b C30_25^b Si27_25^b 115.9(17) . . ?
C31_25^b C30_25^b C32_25^b 106.9(18) . . ?
C31_25^b C30_25^b C33_25^b 109.3(17) . . ?
C32_25^b C30_25^b Si27_25^b 105.6(15) . . ?
C33_25^b C30_25^b Si27_25^b 110.1(17) . . ?
C33_25^b C30_25^b C32_25^b 108.7(18) . . ?
C30_25^b C31_25^b H31D_25 109.5 . . ?
C30_25^b C31_25^b H31E_25 109.5 . . ?
C30_25^b C31_25^b H31F_25 109.5 . . ?
H31D_25 C31_25^b H31E_25 109.5 . . ?
H31D_25 C31_25^b H31F_25 109.5 . . ?
H31E_25 C31_25^b H31F_25 109.5 . . ?
C30_25^b C32_25^b H32D_25 109.5 . . ?
C30_25^b C32_25^b H32E_25 109.5 . . ?
C30_25^b C32_25^b H32F_25 109.5 . . ?
H32D_25 C32_25^b H32E_25 109.5 . . ?
H32D_25 C32_25^b H32F_25 109.5 . . ?
H32E_25 C32_25^b H32F_25 109.5 . . ?
C30_25^b C33_25^b H33D_25 109.5 . . ?
C30_25^b C33_25^b H33E_25 109.5 . . ?
C30_25^b C33_25^b H33F_25 109.5 . . ?
H33D_25 C33_25^b H33E_25 109.5 . . ?
H33D_25 C33_25^b H33F_25 109.5 . . ?
H33E_25 C33_25^b H33F_25 109.5 . . ?
C4_26 O1_26 Cs1_1 140.1(7) . . ?
H2A_26 N2_26 H2B_26 120.0 . . ?
C6_26 N2_26 H2A_26 120.0 . . ?
C6_26 N2_26 H2B_26 120.0 . . ?
C11_26 N3_26 C4_26 113.1(8) . . ?
O1_26 C4_26 N3_26 123.0(9) . . ?
O1_26 C4_26 N5_26 117.0(9) . . ?
N3_26 C4_26 N5_26 120.0(9) . . ?
C4_26 N5_26 H5_26 117.4 . . ?
C6_26 N5_26 C4_26 125.2(9) . . ?
C6_26 N5_26 H5_26 117.4 . . ?
N2_26 C6_26 N5_26 119.6(10) . . ?
N2_26 C6_26 C7_26 126.4(9) . . ?
N5_26 C6_26 C7_26 114.0(9) . . ?
N8_26 C7_26 C6_26 129.8(9) . . ?
C11_26 C7_26 C6_26 117.6(9) . . ?
C11_26 C7_26 N8_26 112.6(10) . . ?
C9_26 N8_26 C7_26 102.7(9) . . ?
N8_26 C9_26 H9_26 123.0 . . ?
N8_26 C9_26 N10_26 114.0(10) . . ?
N10_26 C9_26 H9_26 123.0 . . ?
C9_26 N10_26 C11_26 104.5(8) . . ?
C9_26 N10_26 C12_26 129.1(9) . . ?
C11_26 N10_26 C12_26 125.4(8) . . ?
N3_26 C11_26 C7_26 130.0(10) . . ?
N3_26 C11_26 N10_26 123.8(9) . . ?
C7_26 C11_26 N10_26 106.1(9) . . ?
N10_26 C12_26 H12_26 109.7 . . ?
N10_26 C12_26 C16_26 114.3(9) . . ?
O13_26 C12_26 N10_26 108.6(8) . . ?
O13_26 C12_26 H12_26 109.7 . . ?
O13_26 C12_26 C16_26 104.8(8) . . ?
C16_26 C12_26 H12_26 109.7 . . ?
C12_26 O13_26 C14_26 109.2(8) . . ?
O13_26 C14_26 H14_26 109.2 . . ?
O13_26 C14_26 C15_26 106.9(8) . . ?
O13_26 C14_26 C17_26 109.6(10) . . ?
C15_26 C14_26 H14_26 109.2 . . ?
C17_26 C14_26 H14_26 109.2 . . ?
C17_26 C14_26 C15_26 112.6(11) . . ?
C14_26 C15_26 H15_26 109.8 . . ?
C16_26 C15_26 C14_26 104.6(8) . . ?
C16_26 C15_26 H15_26 109.8 . . ?
O26_26 C15_26 C14_26 111.1(10) . . ?
O26_26 C15_26 H15_26 109.8 . . ?
O26_26 C15_26 C16_26 111.7(9) . . ?
C12_26 C16_26 H16A_26 111.2 . . ?
C12_26 C16_26 H16B_26 111.2 . . ?
C15_26 C16_26 C12_26 102.8(7) . . ?
C15_26 C16_26 H16A_26 111.2 . . ?
C15_26 C16_26 H16B_26 111.2 . . ?
H16A_26 C16_26 H16B_26 109.1 . . ?
C14_26 C17_26 H17A_26 109.1 . . ?
C14_26 C17_26 H17B_26 109.1 . . ?
H17A_26 C17_26 H17B_26 107.8 . . ?
O18_26 C17_26 C14_26 112.5(11) . . ?
O18_26 C17_26 H17A_26 109.1 . . ?
O18_26 C17_26 H17B_26 109.1 . . ?
C17_26 O18_26 Si19_26 127.6(10) . . ?
O18_26 Si19_26 C20_26 112.6(8) . . ?
O18_26 Si19_26 C21_26 105.5(10) . . ?
O18_26 Si19_26 C22_26 110.0(7) . . ?
C20_26 Si19_26 C21_26 106.1(10) . . ?
C22_26 Si19_26 C20_26 113.3(8) . . ?
C22_26 Si19_26 C21_26 108.8(10) . . ?
Si19_26 C20_26 H20A_26 109.5 . . ?
Si19_26 C20_26 H20B_26 109.5 . . ?
Si19_26 C20_26 H20C_26 109.5 . . ?
H20A_26 C20_26 H20B_26 109.5 . . ?
H20A_26 C20_26 H20C_26 109.5 . . ?
H20B_26 C20_26 H20C_26 109.5 . . ?
Si19_26 C21_26 H21A_26 109.5 . . ?
Si19_26 C21_26 H21B_26 109.5 . . ?
Si19_26 C21_26 H21C_26 109.5 . . ?
H21A_26 C21_26 H21B_26 109.5 . . ?
H21A_26 C21_26 H21C_26 109.5 . . ?
H21B_26 C21_26 H21C_26 109.5 . . ?
C23_26 C22_26 Si19_26 107.2(13) . . ?
C23_26 C22_26 C24_26 110.6(15) . . ?
C23_26 C22_26 C25_26 113.0(16) . . ?
C24_26 C22_26 Si19_26 109.8(13) . . ?
C24_26 C22_26 C25_26 107.5(14) . . ?
C25_26 C22_26 Si19_26 108.6(14) . . ?
C22_26 C23_26 H23A_26 109.5 . . ?
C22_26 C23_26 H23B_26 109.5 . . ?
C22_26 C23_26 H23C_26 109.5 . . ?
H23A_26 C23_26 H23B_26 109.5 . . ?
H23A_26 C23_26 H23C_26 109.5 . . ?
H23B_26 C23_26 H23C_26 109.5 . . ?
C22_26 C24_26 H24A_26 109.5 . . ?
C22_26 C24_26 H24B_26 109.5 . . ?
C22_26 C24_26 H24C_26 109.5 . . ?
H24A_26 C24_26 H24B_26 109.5 . . ?
H24A_26 C24_26 H24C_26 109.5 . . ?
H24B_26 C24_26 H24C_26 109.5 . . ?
C22_26 C25_26 H25A_26 109.5 . . ?
C22_26 C25_26 H25B_26 109.5 . . ?
C22_26 C25_26 H25C_26 109.5 . . ?
H25A_26 C25_26 H25B_26 109.5 . . ?
H25A_26 C25_26 H25C_26 109.5 . . ?
H25B_26 C25_26 H25C_26 109.5 . . ?
C15_26 O26_26 Si27_26 122.6(9) . . ?
O26_26 Si27_26 C28_26 107.3(10) . . ?
O26_26 Si27_26 C29_26 109.2(8) . . ?
O26_26 Si27_26 C30_26 109.4(8) . . ?
C28_26 Si27_26 C29_26 107.7(12) . . ?
C30_26 Si27_26 C28_26 111.6(10) . . ?
C30_26 Si27_26 C29_26 111.4(9) . . ?
Si27_26 C28_26 H28A_26 109.5 . . ?
Si27_26 C28_26 H28B_26 109.5 . . ?
Si27_26 C28_26 H28C_26 109.5 . . ?
H28A_26 C28_26 H28B_26 109.5 . . ?
H28A_26 C28_26 H28C_26 109.5 . . ?
H28B_26 C28_26 H28C_26 109.5 . . ?
Si27_26 C29_26 H29A_26 109.5 . . ?
Si27_26 C29_26 H29B_26 109.5 . . ?
Si27_26 C29_26 H29C_26 109.5 . . ?
H29A_26 C29_26 H29B_26 109.5 . . ?
H29A_26 C29_26 H29C_26 109.5 . . ?
H29B_26 C29_26 H29C_26 109.5 . . ?
C31_26 C30_26 Si27_26 110.8(14) . . ?
C31_26 C30_26 C33_26 108.0(15) . . ?
C32_26 C30_26 Si27_26 110.0(14) . . ?
C32_26 C30_26 C31_26 111.1(16) . . ?
C32_26 C30_26 C33_26 108.8(16) . . ?
C33_26 C30_26 Si27_26 108.0(14) . . ?
C30_26 C31_26 H31A_26 109.5 . . ?
C30_26 C31_26 H31B_26 109.5 . . ?
C30_26 C31_26 H31C_26 109.5 . . ?
H31A_26 C31_26 H31B_26 109.5 . . ?
H31A_26 C31_26 H31C_26 109.5 . . ?
H31B_26 C31_26 H31C_26 109.5 . . ?
C30_26 C32_26 H32A_26 109.5 . . ?
C30_26 C32_26 H32B_26 109.5 . . ?
C30_26 C32_26 H32C_26 109.5 . . ?
H32A_26 C32_26 H32B_26 109.5 . . ?
H32A_26 C32_26 H32C_26 109.5 . . ?
H32B_26 C32_26 H32C_26 109.5 . . ?
C30_26 C33_26 H33A_26 109.5 . . ?
C30_26 C33_26 H33B_26 109.5 . . ?
C30_26 C33_26 H33C_26 109.5 . . ?
H33A_26 C33_26 H33B_26 109.5 . . ?
H33A_26 C33_26 H33C_26 109.5 . . ?
H33B_26 C33_26 H33C_26 109.5 . . ?
C4_27 O1_27 Cs1_1 139.6(6) . . ?
H2A_27 N2_27 H2B_27 120.0 . . ?
C6_27 N2_27 H2A_27 120.0 . . ?
C6_27 N2_27 H2B_27 120.0 . . ?
C4_27 N3_27 C11_27 113.0(8) . . ?
O1_27 C4_27 N3_27 121.5(9) . . ?
O1_27 C4_27 N5_27 117.2(9) . . ?
N3_27 C4_27 N5_27 121.2(9) . . ?
C4_27 N5_27 H5_27 117.7 . . ?
C6_27 N5_27 C4_27 124.6(9) . . ?
C6_27 N5_27 H5_27 117.7 . . ?
N5_27 C6_27 N2_27 119.3(10) . . ?
C7_27 C6_27 N2_27 125.9(11) . . ?
C7_27 C6_27 N5_27 114.4(10) . . ?
C6_27 C7_27 N8_27 132.2(11) . . ?
C6_27 C7_27 C11_27 118.9(10) . . ?
C11_27 C7_27 N8_27 108.8(10) . . ?
C9_27 N8_27 C7_27 103.0(11) . . ?
N8_27 C9_27 H9_27 121.8 . . ?
N8_27 C9_27 N10_27 116.3(11) . . ?
N10_27 C9_27 H9_27 121.8 . . ?
C9_27 N10_27 C11_27 103.2(9) . . ?
C9_27 N10_27 C12_27 129.8(9) . . ?
C11_27 N10_27 C12_27 127.0(8) . . ?
N3_27 C11_27 N10_27 123.9(9) . . ?
C7_27 C11_27 N3_27 127.6(9) . . ?
C7_27 C11_27 N10_27 108.5(9) . . ?
N10_27 C12_27 H12_27 108.7 . . ?
N10_27 C12_27 C16_27 112.8(9) . . ?
O13_27 C12_27 N10_27 110.7(9) . . ?
O13_27 C12_27 H12_27 108.7 . . ?
O13_27 C12_27 C16_27 107.1(7) . . ?
C16_27 C12_27 H12_27 108.7 . . ?
C12_27 O13_27 C14_27^a 107.4(8) . . ?
C12_27 O13_27 C14_27^b 109.8(9) . . ?
O13_27 C14_27^a H14_27 109.3 . . ?
O13_27 C14_27^a C15_27 103.9(10) . . ?
O13_27 C14_27^a C17_27^a 110.5(17) . . ?
C15_27 C14_27^a H14_27 109.3 . . ?
C17_27^a C14_27^a H14_27 109.3 . . ?
C17_27^a C14_27^a C15_27 114.4(17) . . ?
O13_27 C14_27^b H14A_27 107.4 . . ?
O13_27 C14_27^b C15_27 106.6(9) . . ?
O13_27 C14_27^b C17_27^b 112.4(15) . . ?
C15_27 C14_27^b H14A_27 107.4 . . ?
C15_27 C14_27^b C17_27^b 115.2(15) . . ?
C17_27^b C14_27^b H14A_27 107.4 . . ?
C14_27^a C15_27 H15_27 113.8 . . ?
C14_27^b C15_27 H15A_27 106.0 . . ?
C14_27^b C15_27 C16_27 107.1(8) . . ?
C16_27 C15_27 C14_27^a 96.4(10) . . ?
C16_27 C15_27 H15_27 113.8 . . ?
C16_27 C15_27 H15A_27 106.0 . . ?
O26_27 C15_27 C14_27^a 106.1(11) . . ?
O26_27 C15_27 C14_27^b 119.2(11) . . ?
O26_27 C15_27 H15_27 113.8 . . ?
O26_27 C15_27 H15A_27 106.0 . . ?
O26_27 C15_27 C16_27 111.6(10) . . ?
C12_27 C16_27 H16A_27 111.6 . . ?
C12_27 C16_27 H16B_27 111.6 . . ?
C15_27 C16_27 C12_27 100.8(8) . . ?
C15_27 C16_27 H16A_27 111.6 . . ?
C15_27 C16_27 H16B_27 111.6 . . ?
H16A_27 C16_27 H16B_27 109.4 . . ?
C14_27^a C17_27^a H17A_27 109.4 . . ?
C14_27^a C17_27^a H17B_27 109.4 . . ?
H17A_27 C17_27^a H17B_27 108.0 . . ?
O18_27^a C17_27^a C14_27^a 111.0(17) . . ?
O18_27^a C17_27^a H17A_27 109.4 . . ?
O18_27^a C17_27^a H17B_27 109.4 . . ?
C17_27^a O18_27^a Si19_27^a 124.7(18) . . ?
O18_27^a Si19_27^a C20_27^a 111.8(15) . . ?
O18_27^a Si19_27^a C21_27^a 110.3(15) . . ?
O18_27^a Si19_27^a C22_27^a 105.3(12) . . ?
C20_27^a Si19_27^a C21_27^a 108.4(14) . . ?
C20_27^a Si19_27^a C22_27^a 110.1(14) . . ?
C21_27^a Si19_27^a C22_27^a 110.9(15) . . ?
Si19_27^a C20_27^a H20A_27 109.5 . . ?
Si19_27^a C20_27^a H20B_27 109.5 . . ?
Si19_27^a C20_27^a H20C_27 109.5 . . ?
H20A_27 C20_27^a H20B_27 109.5 . . ?
H20A_27 C20_27^a H20C_27 109.5 . . ?
H20B_27 C20_27^a H20C_27 109.5 . . ?
Si19_27^a C21_27^a H21A_27 109.5 . . ?
Si19_27^a C21_27^a H21B_27 109.5 . . ?
Si19_27^a C21_27^a H21C_27 109.5 . . ?
H21A_27 C21_27^a H21B_27 109.5 . . ?
H21A_27 C21_27^a H21C_27 109.5 . . ?
H21B_27 C21_27^a H21C_27 109.5 . . ?
C23_27^a C22_27^a Si19_27^a 109.0(17) . . ?
C23_27^a C22_27^a C24_27^a 108.7(19) . . ?
C24_27^a C22_27^a Si19_27^a 109.6(17) . . ?
C25_27^a C22_27^a Si19_27^a 108.5(16) . . ?
C25_27^a C22_27^a C23_27^a 111.9(19) . . ?
C25_27^a C22_27^a C24_27^a 109.1(19) . . ?
C22_27^a C23_27^a H23A_27 109.5 . . ?
C22_27^a C23_27^a H23B_27 109.5 . . ?
C22_27^a C23_27^a H23C_27 109.5 . . ?
H23A_27 C23_27^a H23B_27 109.5 . . ?
H23A_27 C23_27^a H23C_27 109.5 . . ?
H23B_27 C23_27^a H23C_27 109.5 . . ?
C22_27^a C24_27^a H24A_27 109.5 . . ?
C22_27^a C24_27^a H24B_27 109.5 . . ?
C22_27^a C24_27^a H24C_27 109.5 . . ?
H24A_27 C24_27^a H24B_27 109.5 . . ?
H24A_27 C24_27^a H24C_27 109.5 . . ?
H24B_27 C24_27^a H24C_27 109.5 . . ?
C22_27^a C25_27^a H25A_27 109.5 . . ?
C22_27^a C25_27^a H25B_27 109.5 . . ?
C22_27^a C25_27^a H25C_27 109.5 . . ?
H25A_27 C25_27^a H25B_27 109.5 . . ?
H25A_27 C25_27^a H25C_27 109.5 . . ?
H25B_27 C25_27^a H25C_27 109.5 . . ?
C14_27^b C17_27^b H17C_27 109.1 . . ?
C14_27^b C17_27^b H17D_27 109.1 . . ?
H17C_27 C17_27^b H17D_27 107.9 . . ?
O18_27^b C17_27^b C14_27^b 112.4(16) . . ?
O18_27^b C17_27^b H17C_27 109.1 . . ?
O18_27^b C17_27^b H17D_27 109.1 . . ?
C17_27^b O18_27^b Si19_27^b 132.6(16) . . ?
O18_27^b Si19_27^b C20_27^b 112.3(14) . . ?
O18_27^b Si19_27^b C21_27^b 107.7(14) . . ?
O18_27^b Si19_27^b C22_27^b 100.7(11) . . ?
C20_27^b Si19_27^b C21_27^b 109.2(14) . . ?
C20_27^b Si19_27^b C22_27^b 112.9(13) . . ?
C21_27^b Si19_27^b C22_27^b 113.7(14) . . ?
Si19_27^b C20_27^b H20D_27 109.5 . . ?
Si19_27^b C20_27^b H20E_27 109.5 . . ?
Si19_27^b C20_27^b H20F_27 109.5 . . ?
H20D_27 C20_27^b H20E_27 109.5 . . ?
H20D_27 C20_27^b H20F_27 109.5 . . ?
H20E_27 C20_27^b H20F_27 109.5 . . ?
Si19_27^b C21_27^b H21D_27 109.5 . . ?
Si19_27^b C21_27^b H21E_27 109.5 . . ?
Si19_27^b C21_27^b H21F_27 109.5 . . ?
H21D_27 C21_27^b H21E_27 109.5 . . ?
H21D_27 C21_27^b H21F_27 109.5 . . ?
H21E_27 C21_27^b H21F_27 109.5 . . ?
C23_27^b C22_27^b Si19_27^b 105.3(14) . . ?
C24_27^b C22_27^b Si19_27^b 112.1(16) . . ?
C24_27^b C22_27^b C23_27^b 107.4(17) . . ?
C24_27^b C22_27^b C25_27^b 110.1(18) . . ?
C25_27^b C22_27^b Si19_27^b 112.1(17) . . ?
C25_27^b C22_27^b C23_27^b 109.7(18) . . ?
C22_27^b C23_27^b H23D_27 109.5 . . ?
C22_27^b C23_27^b H23E_27 109.5 . . ?
C22_27^b C23_27^b H23F_27 109.5 . . ?
H23D_27 C23_27^b H23E_27 109.5 . . ?
H23D_27 C23_27^b H23F_27 109.5 . . ?
H23E_27 C23_27^b H23F_27 109.5 . . ?
C22_27^b C24_27^b H24D_27 109.5 . . ?
C22_27^b C24_27^b H24E_27 109.5 . . ?
C22_27^b C24_27^b H24F_27 109.5 . . ?
H24D_27 C24_27^b H24E_27 109.5 . . ?
H24D_27 C24_27^b H24F_27 109.5 . . ?
H24E_27 C24_27^b H24F_27 109.5 . . ?
C22_27^b C25_27^b H25D_27 109.5 . . ?
C22_27^b C25_27^b H25E_27 109.5 . . ?
C22_27^b C25_27^b H25F_27 109.5 . . ?
H25D_27 C25_27^b H25E_27 109.5 . . ?
H25D_27 C25_27^b H25F_27 109.5 . . ?
H25E_27 C25_27^b H25F_27 109.5 . . ?
C15_27 O26_27 Si27_27 123.0(9) . . ?
O26_27 Si27_27 C28_27 106.1(8) . . ?
O26_27 Si27_27 C29_27 111.3(10) . . ?
O26_27 Si27_27 C30_27 104.0(6) . . ?
C29_27 Si27_27 C28_27 111.4(11) . . ?
C29_27 Si27_27 C30_27 113.3(9) . . ?
C30_27 Si27_27 C28_27 110.3(9) . . ?
Si27_27 C28_27 H28A_27 109.5 . . ?
Si27_27 C28_27 H28B_27 109.5 . . ?
Si27_27 C28_27 H28C_27 109.5 . . ?
H28A_27 C28_27 H28B_27 109.5 . . ?
H28A_27 C28_27 H28C_27 109.5 . . ?
H28B_27 C28_27 H28C_27 109.5 . . ?
Si27_27 C29_27 H29A_27 109.5 . . ?
Si27_27 C29_27 H29B_27 109.5 . . ?
Si27_27 C29_27 H29C_27 109.5 . . ?
H29A_27 C29_27 H29B_27 109.5 . . ?
H29A_27 C29_27 H29C_27 109.5 . . ?
H29B_27 C29_27 H29C_27 109.5 . . ?
C31_27 C30_27 Si27_27 111.2(11) . . ?
C31_27 C30_27 C32_27 106.4(13) . . ?
C31_27 C30_27 C33_27 108.9(13) . . ?
C32_27 C30_27 Si27_27 109.4(10) . . ?
C32_27 C30_27 C33_27 108.5(13) . . ?
C33_27 C30_27 Si27_27 112.2(12) . . ?
C30_27 C31_27 H31A_27 109.5 . . ?
C30_27 C31_27 H31B_27 109.5 . . ?
C30_27 C31_27 H31C_27 109.5 . . ?
H31A_27 C31_27 H31B_27 109.5 . . ?
H31A_27 C31_27 H31C_27 109.5 . . ?
H31B_27 C31_27 H31C_27 109.5 . . ?
C30_27 C32_27 H32A_27 109.5 . . ?
C30_27 C32_27 H32B_27 109.5 . . ?
C30_27 C32_27 H32C_27 109.5 . . ?
H32A_27 C32_27 H32B_27 109.5 . . ?
H32A_27 C32_27 H32C_27 109.5 . . ?
H32B_27 C32_27 H32C_27 109.5 . . ?
C30_27 C33_27 H33A_27 109.5 . . ?
C30_27 C33_27 H33B_27 109.5 . . ?
C30_27 C33_27 H33C_27 109.5 . . ?
H33A_27 C33_27 H33B_27 109.5 . . ?
H33A_27 C33_27 H33C_27 109.5 . . ?
H33B_27 C33_27 H33C_27 109.5 . . ?
C4_28 O1_28 Cs1_1 138.8(6) . . ?
H2A_28 N2_28 H2B_28 120.0 . . ?
C6_28 N2_28 H2A_28 120.0 . . ?
C6_28 N2_28 H2B_28 120.0 . . ?
C4_28 N3_28 C11_28 113.2(8) . . ?
O1_28 C4_28 N3_28 122.9(9) . . ?
O1_28 C4_28 N5_28 114.9(8) . . ?
N3_28 C4_28 N5_28 122.3(9) . . ?
C4_28 N5_28 H5_28 118.4 . . ?
C6_28 N5_28 C4_28 123.2(8) . . ?
C6_28 N5_28 H5_28 118.4 . . ?
N2_28 C6_28 N5_28 119.2(9) . . ?
N2_28 C6_28 C7_28 126.0(9) . . ?
N5_28 C6_28 C7_28 114.7(9) . . ?
N8_28 C7_28 C6_28 131.3(9) . . ?
C11_28 C7_28 C6_28 117.7(9) . . ?
C11_28 C7_28 N8_28 111.0(8) . . ?
C9_28 N8_28 C7_28 104.6(8) . . ?
N8_28 C9_28 H9_28 123.2 . . ?
N8_28 C9_28 N10_28 113.7(9) . . ?
N10_28 C9_28 H9_28 123.2 . . ?
C9_28 N10_28 C12_28 129.5(8) . . ?
C11_28 N10_28 C9_28 104.4(8) . . ?
C11_28 N10_28 C12_28 125.5(8) . . ?
N3_28 C11_28 C7_28 128.6(9) . . ?
N3_28 C11_28 N10_28 124.9(9) . . ?
C7_28 C11_28 N10_28 106.4(8) . . ?
N10_28 C12_28 H12_28 109.1 . . ?
N10_28 C12_28 C16_28 112.2(8) . . ?
O13_28 C12_28 N10_28 111.2(7) . . ?
O13_28 C12_28 H12_28 109.1 . . ?
O13_28 C12_28 C16_28 106.0(7) . . ?
C16_28 C12_28 H12_28 109.1 . . ?
C12_28 O13_28 C14_28 109.3(7) . . ?
O13_28 C14_28 H14_28 107.4 . . ?
O13_28 C14_28 C15_28 107.1(7) . . ?
O13_28 C14_28 C17_28 110.4(10) . . ?
C15_28 C14_28 H14_28 107.4 . . ?
C17_28 C14_28 H14_28 107.4 . . ?
C17_28 C14_28 C15_28 116.7(10) . . ?
C14_28 C15_28 H15_28 109.6 . . ?
C14_28 C15_28 C16_28 99.3(8) . . ?
C16_28 C15_28 H15_28 109.6 . . ?
O26_28 C15_28 C14_28 115.1(10) . . ?
O26_28 C15_28 H15_28 109.6 . . ?
O26_28 C15_28 C16_28 113.0(9) . . ?
C12_28 C16_28 H16A_28 111.4 . . ?
C12_28 C16_28 H16B_28 111.4 . . ?
C15_28 C16_28 C12_28 101.7(7) . . ?
C15_28 C16_28 H16A_28 111.4 . . ?
C15_28 C16_28 H16B_28 111.4 . . ?
H16A_28 C16_28 H16B_28 109.3 . . ?
C14_28 C17_28 H17A_28 110.2 . . ?
C14_28 C17_28 H17B_28 110.2 . . ?
H17A_28 C17_28 H17B_28 108.5 . . ?
O18_28 C17_28 C14_28 107.4(9) . . ?
O18_28 C17_28 H17A_28 110.2 . . ?
O18_28 C17_28 H17B_28 110.2 . . ?
C17_28 O18_28 Si19_28 124.2(9) . . ?
O18_28 Si19_28 C20_28 109.2(8) . . ?
O18_28 Si19_28 C21_28 105.4(8) . . ?
O18_28 Si19_28 C22_28 112.0(7) . . ?
C20_28 Si19_28 C21_28 108.0(10) . . ?
C22_28 Si19_28 C20_28 110.7(9) . . ?
C22_28 Si19_28 C21_28 111.3(10) . . ?
Si19_28 C20_28 H20A_28 109.5 . . ?
Si19_28 C20_28 H20B_28 109.5 . . ?
Si19_28 C20_28 H20C_28 109.5 . . ?
H20A_28 C20_28 H20B_28 109.5 . . ?
H20A_28 C20_28 H20C_28 109.5 . . ?
H20B_28 C20_28 H20C_28 109.5 . . ?
Si19_28 C21_28 H21A_28 109.5 . . ?
Si19_28 C21_28 H21B_28 109.5 . . ?
Si19_28 C21_28 H21C_28 109.5 . . ?
H21A_28 C21_28 H21B_28 109.5 . . ?
H21A_28 C21_28 H21C_28 109.5 . . ?
H21B_28 C21_28 H21C_28 109.5 . . ?
C23_28 C22_28 Si19_28 110.9(13) . . ?
C23_28 C22_28 C24_28 109.5(14) . . ?
C23_28 C22_28 C25_28 110.1(14) . . ?
C24_28 C22_28 Si19_28 108.7(13) . . ?
C25_28 C22_28 Si19_28 109.6(13) . . ?
C25_28 C22_28 C24_28 108.0(14) . . ?
C22_28 C23_28 H23A_28 109.5 . . ?
C22_28 C23_28 H23B_28 109.5 . . ?
C22_28 C23_28 H23C_28 109.5 . . ?
H23A_28 C23_28 H23B_28 109.5 . . ?
H23A_28 C23_28 H23C_28 109.5 . . ?
H23B_28 C23_28 H23C_28 109.5 . . ?
C22_28 C24_28 H24A_28 109.5 . . ?
C22_28 C24_28 H24B_28 109.5 . . ?
C22_28 C24_28 H24C_28 109.5 . . ?
H24A_28 C24_28 H24B_28 109.5 . . ?
H24A_28 C24_28 H24C_28 109.5 . . ?
H24B_28 C24_28 H24C_28 109.5 . . ?
C22_28 C25_28 H25A_28 109.5 . . ?
C22_28 C25_28 H25B_28 109.5 . . ?
C22_28 C25_28 H25C_28 109.5 . . ?
H25A_28 C25_28 H25B_28 109.5 . . ?
H25A_28 C25_28 H25C_28 109.5 . . ?
H25B_28 C25_28 H25C_28 109.5 . . ?
C15_28 O26_28 Si27_28 125.9(9) . . ?
O26_28 Si27_28 C28_28 108.4(6) . . ?
O26_28 Si27_28 C29_28 108.1(10) . . ?
O26_28 Si27_28 C30_28 108.9(7) . . ?
C28_28 Si27_28 C29_28 110.9(12) . . ?
C28_28 Si27_28 C30_28 109.1(10) . . ?
C29_28 Si27_28 C30_28 111.5(11) . . ?
Si27_28 C28_28 H28A_28 109.5 . . ?
Si27_28 C28_28 H28B_28 109.5 . . ?
Si27_28 C28_28 H28C_28 109.5 . . ?
H28A_28 C28_28 H28B_28 109.5 . . ?
H28A_28 C28_28 H28C_28 109.5 . . ?
H28B_28 C28_28 H28C_28 109.5 . . ?
Si27_28 C29_28 H29A_28 109.5 . . ?
Si27_28 C29_28 H29B_28 109.5 . . ?
Si27_28 C29_28 H29C_28 109.5 . . ?
H29A_28 C29_28 H29B_28 109.5 . . ?
H29A_28 C29_28 H29C_28 109.5 . . ?
H29B_28 C29_28 H29C_28 109.5 . . ?
C31_28 C30_28 Si27_28 109.6(13) . . ?
C31_28 C30_28 C33_28 107.6(15) . . ?
C32_28 C30_28 Si27_28 111.0(14) . . ?
C32_28 C30_28 C31_28 109.9(17) . . ?
C32_28 C30_28 C33_28 109.1(15) . . ?
C33_28 C30_28 Si27_28 109.6(13) . . ?
C30_28 C31_28 H31A_28 109.5 . . ?
C30_28 C31_28 H31B_28 109.5 . . ?
C30_28 C31_28 H31C_28 109.5 . . ?
H31A_28 C31_28 H31B_28 109.5 . . ?
H31A_28 C31_28 H31C_28 109.5 . . ?
H31B_28 C31_28 H31C_28 109.5 . . ?
C30_28 C32_28 H32A_28 109.5 . . ?
C30_28 C32_28 H32B_28 109.5 . . ?
C30_28 C32_28 H32C_28 109.5 . . ?
H32A_28 C32_28 H32B_28 109.5 . . ?
H32A_28 C32_28 H32C_28 109.5 . . ?
H32B_28 C32_28 H32C_28 109.5 . . ?
C30_28 C33_28 H33A_28 109.5 . . ?
C30_28 C33_28 H33B_28 109.5 . . ?
C30_28 C33_28 H33C_28 109.5 . . ?
H33A_28 C33_28 H33B_28 109.5 . . ?
H33A_28 C33_28 H33C_28 109.5 . . ?
H33B_28 C33_28 H33C_28 109.5 . . ?
C4_29 O1_29 Cs1_1 137.5(6) . . ?
H2A_29 N2_29 H2B_29 120.0 . . ?
C6_29 N2_29 H2A_29 120.0 . . ?
C6_29 N2_29 H2B_29 120.0 . . ?
C11_29 N3_29 C4_29 112.7(9) . . ?
O1_29 C4_29 N3_29 122.8(9) . . ?
O1_29 C4_29 N5_29 117.1(8) . . ?
N3_29 C4_29 N5_29 120.1(9) . . ?
C4_29 N5_29 H5_29 117.8 . . ?
C6_29 N5_29 C4_29 124.4(8) . . ?
C6_29 N5_29 H5_29 117.8 . . ?
N5_29 C6_29 N2_29 118.6(9) . . ?
N5_29 C6_29 C7_29 116.7(9) . . ?
C7_29 C6_29 N2_29 124.7(10) . . ?
C6_29 C7_29 N8_29 132.4(10) . . ?
C6_29 C7_29 C11_29 116.5(9) . . ?
C11_29 C7_29 N8_29 111.0(9) . . ?
C9_29 N8_29 C7_29 102.7(9) . . ?
N8_29 C9_29 H9_29 122.1 . . ?
N8_29 C9_29 N10_29 115.8(9) . . ?
N10_29 C9_29 H9_29 122.1 . . ?
C9_29 N10_29 C11_29 104.0(8) . . ?
C9_29 N10_29 C12_29 130.4(9) . . ?
C11_29 N10_29 C12_29 125.5(9) . . ?
N3_29 C11_29 C7_29 129.7(9) . . ?
N3_29 C11_29 N10_29 123.7(9) . . ?
C7_29 C11_29 N10_29 106.5(9) . . ?
N10_29 C12_29 H12_29 109.5 . . ?
N10_29 C12_29 C16_29 113.9(9) . . ?
O13_29 C12_29 N10_29 109.5(8) . . ?
O13_29 C12_29 H12_29 109.5 . . ?
O13_29 C12_29 C16_29 104.8(7) . . ?
C16_29 C12_29 H12_29 109.5 . . ?
C12_29 O13_29 C14_29 110.1(7) . . ?
O13_29 C14_29 H14_29 108.5 . . ?
O13_29 C14_29 C15_29 106.7(7) . . ?
O13_29 C14_29 C17_29 110.1(9) . . ?
C15_29 C14_29 H14_29 108.5 . . ?
C17_29 C14_29 H14_29 108.5 . . ?
C17_29 C14_29 C15_29 114.4(10) . . ?
C14_29 C15_29 H15_29 111.7 . . ?
C14_29 C15_29 C16_29 100.6(8) . . ?
C16_29 C15_29 H15_29 111.7 . . ?
O26_29 C15_29 C14_29 109.8(8) . . ?
O26_29 C15_29 H15_29 111.7 . . ?
O26_29 C15_29 C16_29 110.8(10) . . ?
C12_29 C16_29 C15_29 100.6(8) . . ?
C12_29 C16_29 H16A_29 111.6 . . ?
C12_29 C16_29 H16B_29 111.6 . . ?
C15_29 C16_29 H16A_29 111.6 . . ?
C15_29 C16_29 H16B_29 111.6 . . ?
H16A_29 C16_29 H16B_29 109.4 . . ?
C14_29 C17_29 H17A_29 109.0 . . ?
C14_29 C17_29 H17B_29 109.0 . . ?
H17A_29 C17_29 H17B_29 107.8 . . ?
O18_29 C17_29 C14_29 112.9(10) . . ?
O18_29 C17_29 H17A_29 109.0 . . ?
O18_29 C17_29 H17B_29 109.0 . . ?
C17_29 O18_29 Si19_29 120.1(9) . . ?
O18_29 Si19_29 C20_29 107.3(8) . . ?
O18_29 Si19_29 C21_29 110.8(8) . . ?
O18_29 Si19_29 C22_29 104.3(7) . . ?
C20_29 Si19_29 C22_29 110.7(9) . . ?
C21_29 Si19_29 C20_29 108.8(10) . . ?
C21_29 Si19_29 C22_29 114.7(9) . . ?
Si19_29 C20_29 H20A_29 109.5 . . ?
Si19_29 C20_29 H20B_29 109.5 . . ?
Si19_29 C20_29 H20C_29 109.5 . . ?
H20A_29 C20_29 H20B_29 109.5 . . ?
H20A_29 C20_29 H20C_29 109.5 . . ?
H20B_29 C20_29 H20C_29 109.5 . . ?
Si19_29 C21_29 H21A_29 109.5 . . ?
Si19_29 C21_29 H21B_29 109.5 . . ?
Si19_29 C21_29 H21C_29 109.5 . . ?
H21A_29 C21_29 H21B_29 109.5 . . ?
H21A_29 C21_29 H21C_29 109.5 . . ?
H21B_29 C21_29 H21C_29 109.5 . . ?
C23_29 C22_29 Si19_29 108.4(11) . . ?
C23_29 C22_29 C24_29 110.9(15) . . ?
C23_29 C22_29 C25_29 114.0(15) . . ?
C24_29 C22_29 Si19_29 108.4(13) . . ?
C24_29 C22_29 C25_29 109.6(15) . . ?
C25_29 C22_29 Si19_29 105.3(12) . . ?
C22_29 C23_29 H23A_29 109.5 . . ?
C22_29 C23_29 H23B_29 109.5 . . ?
C22_29 C23_29 H23C_29 109.5 . . ?
H23A_29 C23_29 H23B_29 109.5 . . ?
H23A_29 C23_29 H23C_29 109.5 . . ?
H23B_29 C23_29 H23C_29 109.5 . . ?
C22_29 C24_29 H24A_29 109.5 . . ?
C22_29 C24_29 H24B_29 109.5 . . ?
C22_29 C24_29 H24C_29 109.5 . . ?
H24A_29 C24_29 H24B_29 109.5 . . ?
H24A_29 C24_29 H24C_29 109.5 . . ?
H24B_29 C24_29 H24C_29 109.5 . . ?
C22_29 C25_29 H25A_29 109.5 . . ?
C22_29 C25_29 H25B_29 109.5 . . ?
C22_29 C25_29 H25C_29 109.5 . . ?
H25A_29 C25_29 H25B_29 109.5 . . ?
H25A_29 C25_29 H25C_29 109.5 . . ?
H25B_29 C25_29 H25C_29 109.5 . . ?
C15_29 O26_29 Si27_29 122.4(8) . . ?
O26_29 Si27_29 C28_29 106.4(8) . . ?
O26_29 Si27_29 C29_29 111.3(9) . . ?
O26_29 Si27_29 C30_29 105.4(6) . . ?
C28_29 Si27_29 C30_29 114.1(10) . . ?
C29_29 Si27_29 C28_29 111.0(11) . . ?
C29_29 Si27_29 C30_29 108.6(9) . . ?
Si27_29 C28_29 H28A_29 109.5 . . ?
Si27_29 C28_29 H28B_29 109.5 . . ?
Si27_29 C28_29 H28C_29 109.5 . . ?
H28A_29 C28_29 H28B_29 109.5 . . ?
H28A_29 C28_29 H28C_29 109.5 . . ?
H28B_29 C28_29 H28C_29 109.5 . . ?
Si27_29 C29_29 H29A_29 109.5 . . ?
Si27_29 C29_29 H29B_29 109.5 . . ?
Si27_29 C29_29 H29C_29 109.5 . . ?
H29A_29 C29_29 H29B_29 109.5 . . ?
H29A_29 C29_29 H29C_29 109.5 . . ?
H29B_29 C29_29 H29C_29 109.5 . . ?
C31_29 C30_29 Si27_29 109.1(11) . . ?
C31_29 C30_29 C32_29 111.2(16) . . ?
C31_29 C30_29 C33_29 112.0(14) . . ?
C32_29 C30_29 Si27_29 106.4(11) . . ?
C33_29 C30_29 Si27_29 108.8(11) . . ?
C33_29 C30_29 C32_29 109.1(15) . . ?
C30_29 C31_29 H31A_29 109.5 . . ?
C30_29 C31_29 H31B_29 109.5 . . ?
C30_29 C31_29 H31C_29 109.5 . . ?
H31A_29 C31_29 H31B_29 109.5 . . ?
H31A_29 C31_29 H31C_29 109.5 . . ?
H31B_29 C31_29 H31C_29 109.5 . . ?
C30_29 C32_29 H32A_29 109.5 . . ?
C30_29 C32_29 H32B_29 109.5 . . ?
C30_29 C32_29 H32C_29 109.5 . . ?
H32A_29 C32_29 H32B_29 109.5 . . ?
H32A_29 C32_29 H32C_29 109.5 . . ?
H32B_29 C32_29 H32C_29 109.5 . . ?
C30_29 C33_29 H33A_29 109.5 . . ?
C30_29 C33_29 H33B_29 109.5 . . ?
C30_29 C33_29 H33C_29 109.5 . . ?
H33A_29 C33_29 H33B_29 109.5 . . ?
H33A_29 C33_29 H33C_29 109.5 . . ?
H33B_29 C33_29 H33C_29 109.5 . . ?
C4_30 O1_30 Cs1_1 140.3(6) . . ?
H2A_30 N2_30 H2B_30 120.0 . . ?
C6_30 N2_30 H2A_30 120.0 . . ?
C6_30 N2_30 H2B_30 120.0 . . ?
C11_30 N3_30 C4_30 111.3(9) . . ?
O1_30 C4_30 N3_30 121.4(10) . . ?
O1_30 C4_30 N5_30 117.3(9) . . ?
N3_30 C4_30 N5_30 121.3(9) . . ?
C4_30 N5_30 H5_30 118.2 . . ?
C6_30 N5_30 C4_30 123.6(9) . . ?
C6_30 N5_30 H5_30 118.2 . . ?
N2_30 C6_30 N5_30 117.1(10) . . ?
N2_30 C6_30 C7_30 127.4(10) . . ?
N5_30 C6_30 C7_30 115.5(10) . . ?
C6_30 C7_30 N8_30 130.7(11) . . ?
C11_30 C7_30 C6_30 116.3(9) . . ?
C11_30 C7_30 N8_30 113.0(11) . . ?
C9_30 N8_30 C7_30 102.2(11) . . ?
N8_30 C9_30 H9_30 121.9 . . ?
N8_30 C9_30 N10_30 116.3(11) . . ?
N10_30 C9_30 H9_30 121.9 . . ?
C9_30 N10_30 C11_30 103.0(9) . . ?
C9_30 N10_30 C12_30 130.4(9) . . ?
C11_30 N10_30 C12_30 126.4(9) . . ?
N3_30 C11_30 N10_30 122.4(10) . . ?
C7_30 C11_30 N3_30 132.0(10) . . ?
C7_30 C11_30 N10_30 105.5(9) . . ?
N10_30 C12_30 H12_30 109.2 . . ?
N10_30 C12_30 C16_30 112.7(10) . . ?
O13_30 C12_30 N10_30 108.5(10) . . ?
O13_30 C12_30 H12_30 109.2 . . ?
O13_30 C12_30 C16_30 107.9(8) . . ?
C16_30 C12_30 H12_30 109.2 . . ?
C12_30 O13_30 C14_30 108.8(8) . . ?
O13_30 C14_30 H14_30 107.6 . . ?
O13_30 C14_30 C15_30 106.6(8) . . ?
O13_30 C14_30 C17_30 109.8(10) . . ?
C15_30 C14_30 H14_30 107.6 . . ?
C17_30 C14_30 H14_30 107.6 . . ?
C17_30 C14_30 C15_30 117.3(11) . . ?
C14_30 C15_30 H15_30 107.9 . . ?
C14_30 C15_30 H15A_30 113.5 . . ?
C14_30 C15_30 C16_30 101.2(9) . . ?
C16_30 C15_30 H15_30 107.9 . . ?
C16_30 C15_30 H15A_30 113.5 . . ?
O26_30^a C15_30 C14_30 111.8(11) . . ?
O26_30^a C15_30 H15_30 107.9 . . ?
O26_30^a C15_30 C16_30 119.5(12) . . ?
O26_30^b C15_30 C14_30 109.2(12) . . ?
O26_30^b C15_30 H15A_30 113.5 . . ?
O26_30^b C15_30 C16_30 104.8(14) . . ?
C12_30 C16_30 C15_30 100.7(8) . . ?
C12_30 C16_30 H16A_30 111.6 . . ?
C12_30 C16_30 H16B_30 111.6 . . ?
C15_30 C16_30 H16A_30 111.6 . . ?
C15_30 C16_30 H16B_30 111.6 . . ?
H16A_30 C16_30 H16B_30 109.4 . . ?
C14_30 C17_30 H17A_30 109.6 . . ?
C14_30 C17_30 H17B_30 109.6 . . ?
H17A_30 C17_30 H17B_30 108.1 . . ?
O18_30 C17_30 C14_30 110.2(12) . . ?
O18_30 C17_30 H17A_30 109.6 . . ?
O18_30 C17_30 H17B_30 109.6 . . ?
C17_30 O18_30 Si19_30 124.5(10) . . ?
O18_30 Si19_30 C20_30 109.8(8) . . ?
O18_30 Si19_30 C21_30 112.0(10) . . ?
O18_30 Si19_30 C22_30 105.2(7) . . ?
C21_30 Si19_30 C20_30 108.7(10) . . ?
C21_30 Si19_30 C22_30 110.4(9) . . ?
C22_30 Si19_30 C20_30 110.7(9) . . ?
Si19_30 C20_30 H20A_30 109.5 . . ?
Si19_30 C20_30 H20B_30 109.5 . . ?
Si19_30 C20_30 H20C_30 109.5 . . ?
H20A_30 C20_30 H20B_30 109.5 . . ?
H20A_30 C20_30 H20C_30 109.5 . . ?
H20B_30 C20_30 H20C_30 109.5 . . ?
Si19_30 C21_30 H21A_30 109.5 . . ?
Si19_30 C21_30 H21B_30 109.5 . . ?
Si19_30 C21_30 H21C_30 109.5 . . ?
H21A_30 C21_30 H21B_30 109.5 . . ?
H21A_30 C21_30 H21C_30 109.5 . . ?
H21B_30 C21_30 H21C_30 109.5 . . ?
C23_30 C22_30 Si19_30 107.9(12) . . ?
C24_30 C22_30 Si19_30 108.8(12) . . ?
C24_30 C22_30 C23_30 111.4(15) . . ?
C24_30 C22_30 C25_30 109.4(15) . . ?
C25_30 C22_30 Si19_30 111.0(12) . . ?
C25_30 C22_30 C23_30 108.4(14) . . ?
C22_30 C23_30 H23A_30 109.5 . . ?
C22_30 C23_30 H23B_30 109.5 . . ?
C22_30 C23_30 H23C_30 109.5 . . ?
H23A_30 C23_30 H23B_30 109.5 . . ?
H23A_30 C23_30 H23C_30 109.5 . . ?
H23B_30 C23_30 H23C_30 109.5 . . ?
C22_30 C24_30 H24A_30 109.5 . . ?
C22_30 C24_30 H24B_30 109.5 . . ?
C22_30 C24_30 H24C_30 109.5 . . ?
H24A_30 C24_30 H24B_30 109.5 . . ?
H24A_30 C24_30 H24C_30 109.5 . . ?
H24B_30 C24_30 H24C_30 109.5 . . ?
C22_30 C25_30 H25A_30 109.5 . . ?
C22_30 C25_30 H25B_30 109.5 . . ?
C22_30 C25_30 H25C_30 109.5 . . ?
H25A_30 C25_30 H25B_30 109.5 . . ?
H25A_30 C25_30 H25C_30 109.5 . . ?
H25B_30 C25_30 H25C_30 109.5 . . ?
C15_30 O26_30^a Si27_30^a 123.8(11) . . ?
O26_30^a Si27_30^a C28_30^a 109.4(11) . . ?
O26_30^a Si27_30^a C29_30^a 110.4(9) . . ?
O26_30^a Si27_30^a C30_30^a 104.7(7) . . ?
C28_30^a Si27_30^a C29_30^a 109.6(11) . . ?
C28_30^a Si27_30^a C30_30^a 112.1(11) . . ?
C29_30^a Si27_30^a C30_30^a 110.5(9) . . ?
Si27_30^a C28_30^a H28A_30 109.5 . . ?
Si27_30^a C28_30^a H28B_30 109.5 . . ?
Si27_30^a C28_30^a H28C_30 109.5 . . ?
H28A_30 C28_30^a H28B_30 109.5 . . ?
H28A_30 C28_30^a H28C_30 109.5 . . ?
H28B_30 C28_30^a H28C_30 109.5 . . ?
Si27_30^a C29_30^a H29A_30 109.5 . . ?
Si27_30^a C29_30^a H29B_30 109.5 . . ?
Si27_30^a C29_30^a H29C_30 109.5 . . ?
H29A_30 C29_30^a H29B_30 109.5 . . ?
H29A_30 C29_30^a H29C_30 109.5 . . ?
H29B_30 C29_30^a H29C_30 109.5 . . ?
C31_30^a C30_30^a Si27_30^a 108.1(12) . . ?
C31_30^a C30_30^a C32_30^a 109.7(16) . . ?
C31_30^a C30_30^a C33_30^a 112.2(16) . . ?
C32_30^a C30_30^a Si27_30^a 109.2(12) . . ?
C33_30^a C30_30^a Si27_30^a 109.4(12) . . ?
C33_30^a C30_30^a C32_30^a 108.2(14) . . ?
C30_30^a C31_30^a H31A_30 109.5 . . ?
C30_30^a C31_30^a H31B_30 109.5 . . ?
C30_30^a C31_30^a H31C_30 109.5 . . ?
H31A_30 C31_30^a H31B_30 109.5 . . ?
H31A_30 C31_30^a H31C_30 109.5 . . ?
H31B_30 C31_30^a H31C_30 109.5 . . ?
C30_30^a C32_30^a H32A_30 109.5 . . ?
C30_30^a C32_30^a H32B_30 109.5 . . ?
C30_30^a C32_30^a H32C_30 109.5 . . ?
H32A_30 C32_30^a H32B_30 109.5 . . ?
H32A_30 C32_30^a H32C_30 109.5 . . ?
H32B_30 C32_30^a H32C_30 109.5 . . ?
C30_30^a C33_30^a H33A_30 109.5 . . ?
C30_30^a C33_30^a H33B_30 109.5 . . ?
C30_30^a C33_30^a H33C_30 109.5 . . ?
H33A_30 C33_30^a H33B_30 109.5 . . ?
H33A_30 C33_30^a H33C_30 109.5 . . ?
H33B_30 C33_30^a H33C_30 109.5 . . ?
C15_30 O26_30^b Si27_30^b 128.1(14) . . ?
O26_30^b Si27_30^b C28_30^b 107.2(11) . . ?
O26_30^b Si27_30^b C29_30^b 111.2(13) . . ?
O26_30^b Si27_30^b C30_30^b 102.9(11) . . ?
C28_30^b Si27_30^b C30_30^b 111.8(13) . . ?
C29_30^b Si27_30^b C28_30^b 110.9(14) . . ?
C29_30^b Si27_30^b C30_30^b 112.5(13) . . ?
Si27_30^b C28_30^b H28D_30 109.5 . . ?
Si27_30^b C28_30^b H28E_30 109.5 . . ?
Si27_30^b C28_30^b H28F_30 109.5 . . ?
H28D_30 C28_30^b H28E_30 109.5 . . ?
H28D_30 C28_30^b H28F_30 109.5 . . ?
H28E_30 C28_30^b H28F_30 109.5 . . ?
Si27_30^b C29_30^b H29D_30 109.5 . . ?
Si27_30^b C29_30^b H29E_30 109.5 . . ?
Si27_30^b C29_30^b H29F_30 109.5 . . ?
H29D_30 C29_30^b H29E_30 109.5 . . ?
H29D_30 C29_30^b H29F_30 109.5 . . ?
H29E_30 C29_30^b H29F_30 109.5 . . ?
C31_30^b C30_30^b Si27_30^b 106.7(15) . . ?
C32_30^b C30_30^b Si27_30^b 109.4(16) . . ?
C32_30^b C30_30^b C31_30^b 107.6(17) . . ?
C33_30^b C30_30^b Si27_30^b 111.7(16) . . ?
C33_30^b C30_30^b C31_30^b 110.5(18) . . ?
C33_30^b C30_30^b C32_30^b 110.7(17) . . ?
C30_30^b C31_30^b H31D_30 109.5 . . ?
C30_30^b C31_30^b H31E_30 109.5 . . ?
C30_30^b C31_30^b H31F_30 109.5 . . ?
H31D_30 C31_30^b H31E_30 109.5 . . ?
H31D_30 C31_30^b H31F_30 109.5 . . ?
H31E_30 C31_30^b H31F_30 109.5 . . ?
C30_30^b C32_30^b H32D_30 109.5 . . ?
C30_30^b C32_30^b H32E_30 109.5 . . ?
C30_30^b C32_30^b H32F_30 109.5 . . ?
H32D_30 C32_30^b H32E_30 109.5 . . ?
H32D_30 C32_30^b H32F_30 109.5 . . ?
H32E_30 C32_30^b H32F_30 109.5 . . ?
C30_30^b C33_30^b H33D_30 109.5 . . ?
C30_30^b C33_30^b H33E_30 109.5 . . ?
C30_30^b C33_30^b H33F_30 109.5 . . ?
H33D_30 C33_30^b H33E_30 109.5 . . ?
H33D_30 C33_30^b H33F_30 109.5 . . ?
H33E_30 C33_30^b H33F_30 109.5 . . ?
C2_41 B1_41 C44_41 107.1(12) . . ?
C16_41 B1_41 C2_41 110.3(10) . . ?
C16_41 B1_41 C30_41 112.3(9) . . ?
C16_41 B1_41 C44_41 107.3(10) . . ?
C30_41 B1_41 C2_41 110.5(10) . . ?
C30_41 B1_41 C44_41 109.1(10) . . ?
C3_41 C2_41 B1_41 120.9(11) . . ?
C7_41 C2_41 B1_41 126.1(11) . . ?
C7_41 C2_41 C3_41 112.8(11) . . ?
C2_41 C3_41 H3_41 118.0 . . ?
C4_41 C3_41 C2_41 124.1(14) . . ?
C4_41 C3_41 H3_41 118.0 . . ?
C3_41 C4_41 C5_41 120.8(14) . . ?
C3_41 C4_41 C8_41 119.1(13) . . ?
C5_41 C4_41 C8_41 119.6(13) . . ?
C4_41 C5_41 H5_41 121.7 . . ?
C6_41 C5_41 C4_41 116.6(14) . . ?
C6_41 C5_41 H5_41 121.7 . . ?
C5_41 C6_41 C7_41 120.9(13) . . ?
C5_41 C6_41 C12_41 119.6(12) . . ?
C7_41 C6_41 C12_41 119.0(12) . . ?
C2_41 C7_41 C6_41 123.5(12) . . ?
C2_41 C7_41 H7_41 118.2 . . ?
C6_41 C7_41 H7_41 118.2 . . ?
F9_41 C8_41 C4_41 115.5(19) . . ?
F10_41 C8_41 C4_41 109.4(17) . . ?
F10_41 C8_41 F9_41 107.1(19) . . ?
F11_41 C8_41 C4_41 112.9(16) . . ?
F11_41 C8_41 F9_41 106.2(19) . . ?
F11_41 C8_41 F10_41 105.0(19) . . ?
F13_41 C12_41 C6_41 115.5(16) . . ?
F14_41 C12_41 C6_41 111.3(13) . . ?
F14_41 C12_41 F13_41 103.1(13) . . ?
F15_41 C12_41 C6_41 111.2(13) . . ?
F15_41 C12_41 F13_41 106.0(15) . . ?
F15_41 C12_41 F14_41 109.2(15) . . ?
C17_41 C16_41 B1_41 123.3(10) . . ?
C17_41 C16_41 C21_41 114.8(10) . . ?
C21_41 C16_41 B1_41 121.9(10) . . ?
C16_41 C17_41 H17_41 118.2 . . ?
C18_41 C17_41 C16_41 123.6(12) . . ?
C18_41 C17_41 H17_41 118.2 . . ?
C17_41 C18_41 C22_41 122.2(12) . . ?
C19_41 C18_41 C17_41 120.4(12) . . ?
C19_41 C18_41 C22_41 117.3(11) . . ?
C18_41 C19_41 H19_41 121.6 . . ?
C18_41 C19_41 C20_41 116.7(12) . . ?
C20_41 C19_41 H19_41 121.6 . . ?
C19_41 C20_41 C26_41 118.6(12) . . ?
C21_41 C20_41 C19_41 122.8(12) . . ?
C21_41 C20_41 C26_41 118.5(12) . . ?
C16_41 C21_41 H21_41 119.3 . . ?
C20_41 C21_41 C16_41 121.4(12) . . ?
C20_41 C21_41 H21_41 119.3 . . ?
F23_41 C22_41 C18_41 114.8(13) . . ?
F23_41 C22_41 F24_41 106.4(17) . . ?
F23_41 C22_41 F25_41 108.6(17) . . ?
F24_41 C22_41 C18_41 111.1(15) . . ?
F25_41 C22_41 C18_41 109.7(14) . . ?
F25_41 C22_41 F24_41 105.9(17) . . ?
F27_41 C26_41 C20_41 112.9(16) . . ?
F27_41 C26_41 F28_41 105.6(17) . . ?
F28_41 C26_41 C20_41 110.9(17) . . ?
F29_41 C26_41 C20_41 110.4(14) . . ?
F29_41 C26_41 F27_41 109.7(18) . . ?
F29_41 C26_41 F28_41 107.0(18) . . ?
C31_41 C30_41 B1_41 123.3(11) . . ?
C31_41 C30_41 C35_41 113.8(10) . . ?
C35_41 C30_41 B1_41 122.7(10) . . ?
C30_41 C31_41 H31_41 118.3 . . ?
C30_41 C31_41 C32_41 123.4(12) . . ?
C32_41 C31_41 H31_41 118.3 . . ?
C31_41 C32_41 C36_41 118.8(11) . . ?
C33_41 C32_41 C31_41 121.4(11) . . ?
C33_41 C32_41 C36_41 119.6(11) . . ?
C32_41 C33_41 H33_41 121.3 . . ?
C32_41 C33_41 C34_41 117.3(12) . . ?
C34_41 C33_41 H33_41 121.3 . . ?
C33_41 C34_41 C35_41 120.5(12) . . ?
C33_41 C34_41 C40_41 117.6(12) . . ?
C35_41 C34_41 C40_41 121.8(12) . . ?
C30_41 C35_41 H35_41 118.3 . . ?
C34_41 C35_41 C30_41 123.5(12) . . ?
C34_41 C35_41 H35_41 118.3 . . ?
F37_41 C36_41 C32_41 113.5(14) . . ?
F37_41 C36_41 F39_41 108.0(15) . . ?
F38_41 C36_41 C32_41 114.4(13) . . ?
F38_41 C36_41 F37_41 105.2(14) . . ?
F38_41 C36_41 F39_41 104.5(16) . . ?
F39_41 C36_41 C32_41 110.6(14) . . ?
F41_41 C40_41 C34_41 114.6(13) . . ?
F41_41 C40_41 F42_41 107.8(15) . . ?
F42_41 C40_41 C34_41 111.9(15) . . ?
F43_41 C40_41 C34_41 112.7(14) . . ?
F43_41 C40_41 F41_41 105.4(16) . . ?
F43_41 C40_41 F42_41 103.5(14) . . ?
C45_41 C44_41 B1_41 119.3(10) . . ?
C49_41 C44_41 B1_41 123.9(12) . . ?
C49_41 C44_41 C45_41 116.1(12) . . ?
C44_41 C45_41 H45_41 118.4 . . ?
C46_41 C45_41 C44_41 123.2(13) . . ?
C46_41 C45_41 H45_41 118.4 . . ?
C45_41 C46_41 C47_41 120.0(13) . . ?
C45_41 C46_41 C50_41 119.9(13) . . ?
C47_41 C46_41 C50_41 119.5(13) . . ?
C46_41 C47_41 H47_41 121.1 . . ?
C48_41 C47_41 C46_41 117.9(14) . . ?
C48_41 C47_41 H47_41 121.1 . . ?
C47_41 C48_41 C49_41 121.7(12) . . ?
C47_41 C48_41 C54_41 118.8(14) . . ?
C49_41 C48_41 C54_41 119.5(13) . . ?
C44_41 C49_41 C48_41 120.8(13) . . ?
C44_41 C49_41 H49_41 119.6 . . ?
C48_41 C49_41 H49_41 119.6 . . ?
F51_41 C50_41 C46_41 115.7(17) . . ?
F52_41 C50_41 C46_41 113.6(16) . . ?
F52_41 C50_41 F51_41 105.7(17) . . ?
F52_41 C50_41 F53_41 106.5(18) . . ?
F53_41 C50_41 C46_41 110.2(16) . . ?
F53_41 C50_41 F51_41 104.4(18) . . ?
F55_41 C54_41 C48_41 113.6(14) . . ?
F55_41 C54_41 F56_41 108.1(18) . . ?
F55_41 C54_41 F57_41 107.1(16) . . ?
F56_41 C54_41 C48_41 113.0(14) . . ?
F56_41 C54_41 F57_41 102.4(16) . . ?
F57_41 C54_41 C48_41 111.8(14) . . ?
C2_42 B1_42 C16_42 110.7(8) . . ?
C2_42 B1_42 C44_42 112.9(8) . . ?
C30_42 B1_42 C2_42 106.8(8) . . ?
C30_42 B1_42 C16_42 112.0(8) . . ?
C30_42 B1_42 C44_42 108.5(8) . . ?
C44_42 B1_42 C16_42 106.0(8) . . ?
C3_42 C2_42 B1_42 125.8(8) . . ?
C3_42 C2_42 C7_42 111.7(8) . . ?
C7_42 C2_42 B1_42 122.3(8) . . ?
C2_42 C3_42 H3_42 118.0 . . ?
C4_42 C3_42 C2_42 124.1(9) . . ?
C4_42 C3_42 H3_42 118.0 . . ?
C3_42 C4_42 C8_42 120.2(9) . . ?
C5_42 C4_42 C3_42 120.7(9) . . ?
C5_42 C4_42 C8_42 118.9(9) . . ?
C4_42 C5_42 H5_42 121.1 . . ?
C6_42 C5_42 C4_42 117.8(9) . . ?
C6_42 C5_42 H5_42 121.1 . . ?
C5_42 C6_42 C7_42 120.1(9) . . ?
C5_42 C6_42 C12_42 118.4(9) . . ?
C7_42 C6_42 C12_42 121.4(9) . . ?
C2_42 C7_42 H7_42 117.4 . . ?
C6_42 C7_42 C2_42 125.2(10) . . ?
C6_42 C7_42 H7_42 117.4 . . ?
F9_42 C8_42 C4_42 114.4(12) . . ?
F10_42 C8_42 C4_42 112.3(10) . . ?
F10_42 C8_42 F9_42 106.2(11) . . ?
F11_42 C8_42 C4_42 112.0(10) . . ?
F11_42 C8_42 F9_42 104.3(12) . . ?
F11_42 C8_42 F10_42 107.0(13) . . ?
F13_42 C12_42 C6_42 112.0(11) . . ?
F13_42 C12_42 F14_42 106.4(13) . . ?
F13_42 C12_42 F15_42 108.1(12) . . ?
F14_42 C12_42 C6_42 112.7(10) . . ?
F14_42 C12_42 F15_42 102.7(12) . . ?
F15_42 C12_42 C6_42 114.4(10) . . ?
C17_42 C16_42 B1_42 122.8(9) . . ?
C17_42 C16_42 C21_42 114.2(10) . . ?
C21_42 C16_42 B1_42 122.6(9) . . ?
C16_42 C17_42 H17_42 117.5 . . ?
C18_42 C17_42 C16_42 124.9(11) . . ?
C18_42 C17_42 H17_42 117.5 . . ?
C17_42 C18_42 C22_42 119.8(10) . . ?
C19_42 C18_42 C17_42 119.0(10) . . ?
C19_42 C18_42 C22_42 121.2(10) . . ?
C18_42 C19_42 H19_42 120.7 . . ?
C18_42 C19_42 C20_42 118.6(11) . . ?
C20_42 C19_42 H19_42 120.7 . . ?
C19_42 C20_42 C21_42 121.2(11) . . ?
C19_42 C20_42 C26_42 119.7(11) . . ?
C21_42 C20_42 C26_42 119.1(11) . . ?
C16_42 C21_42 C20_42 121.5(11) . . ?
C16_42 C21_42 H21_42 119.2 . . ?
C20_42 C21_42 H21_42 119.2 . . ?
F23_42 C22_42 C18_42 114.5(11) . . ?
F23_42 C22_42 F24_42 104.0(13) . . ?
F23_42 C22_42 F25_42 112.1(13) . . ?
F24_42 C22_42 C18_42 112.3(11) . . ?
F25_42 C22_42 C18_42 110.5(11) . . ?
F25_42 C22_42 F24_42 102.5(13) . . ?
F27_42 C26_42 C20_42 115.2(14) . . ?
F28_42 C26_42 C20_42 111.4(12) . . ?
F28_42 C26_42 F27_42 102.8(15) . . ?
F29_42 C26_42 C20_42 113.2(13) . . ?
F29_42 C26_42 F27_42 108.8(18) . . ?
F29_42 C26_42 F28_42 104.5(14) . . ?
C31_42 C30_42 B1_42 122.7(9) . . ?
C35_42 C30_42 B1_42 122.4(10) . . ?
C35_42 C30_42 C31_42 114.4(10) . . ?
C30_42 C31_42 H31_42 118.2 . . ?
C32_42 C31_42 C30_42 123.6(11) . . ?
C32_42 C31_42 H31_42 118.2 . . ?
C31_42 C32_42 C33_42 119.1(11) . . ?
C31_42 C32_42 C36_42 120.5(11) . . ?
C33_42 C32_42 C36_42 120.4(11) . . ?
C32_42 C33_42 H33_42 120.5 . . ?
C32_42 C33_42 C34_42 118.9(11) . . ?
C34_42 C33_42 H33_42 120.5 . . ?
C33_42 C34_42 C40_42 119.6(12) . . ?
C35_42 C34_42 C33_42 121.1(11) . . ?
C35_42 C34_42 C40_42 119.0(12) . . ?
C30_42 C35_42 H35_42 118.8 . . ?
C34_42 C35_42 C30_42 122.3(11) . . ?
C34_42 C35_42 H35_42 118.8 . . ?
F37_42 C36_42 C32_42 110.3(11) . . ?
F37_42 C36_42 F39_42 106.3(12) . . ?
F38_42 C36_42 C32_42 114.7(11) . . ?
F38_42 C36_42 F37_42 104.7(11) . . ?
F38_42 C36_42 F39_42 107.0(13) . . ?
F39_42 C36_42 C32_42 113.1(11) . . ?
F41_42 C40_42 C34_42 115.3(14) . . ?
F41_42 C40_42 F43_42 104.2(16) . . ?
F42_42 C40_42 C34_42 111.1(14) . . ?
F42_42 C40_42 F41_42 106.9(16) . . ?
F42_42 C40_42 F43_42 104.4(17) . . ?
F43_42 C40_42 C34_42 114.1(14) . . ?
C45_42 C44_42 B1_42 122.5(10) . . ?
C49_42 C44_42 B1_42 125.4(9) . . ?
C49_42 C44_42 C45_42 111.6(10) . . ?
C44_42 C45_42 H45_42 117.6 . . ?
C46_42 C45_42 C44_42 124.8(12) . . ?
C46_42 C45_42 H45_42 117.6 . . ?
C45_42 C46_42 C50_42 119.1(11) . . ?
C47_42 C46_42 C45_42 120.6(11) . . ?
C47_42 C46_42 C50_42 120.2(11) . . ?
C46_42 C47_42 H47_42 121.8 . . ?
C46_42 C47_42 C48_42 116.4(11) . . ?
C48_42 C47_42 H47_42 121.8 . . ?
C47_42 C48_42 C54_42 119.3(11) . . ?
C49_42 C48_42 C47_42 121.2(11) . . ?
C49_42 C48_42 C54_42 119.4(11) . . ?
C44_42 C49_42 H49_42 117.5 . . ?
C48_42 C49_42 C44_42 125.0(11) . . ?
C48_42 C49_42 H49_42 117.5 . . ?
F51_42 C50_42 C46_42 114.2(12) . . ?
F51_42 C50_42 F52_42 106.0(12) . . ?
F51_42 C50_42 F53_42 106.5(14) . . ?
F52_42 C50_42 C46_42 113.1(12) . . ?
F52_42 C50_42 F53_42 103.5(13) . . ?
F53_42 C50_42 C46_42 112.7(12) . . ?
F55_42 C54_42 C48_42 114.1(14) . . ?
F55_42 C54_42 F56_42 107.5(15) . . ?
F55_42 C54_42 F57_42 106.2(16) . . ?
F56_42 C54_42 C48_42 113.6(13) . . ?
F56_42 C54_42 F57_42 103.7(15) . . ?
F57_42 C54_42 C48_42 111.0(14) . . ?
C2_43 B1_43 C44_43 96.7(7) . . ?
C16_43 B1_43 C2_43 113.1(11) . . ?
C16_43 B1_43 C44_43 114.4(12) . . ?
C30_43 B1_43 C2_43 118.0(10) . . ?
C30_43 B1_43 C16_43 98.6(6) . . ?
C30_43 B1_43 C44_43 117.1(11) . . ?
C3_43 C2_43 B1_43 124.5(15) . . ?
C3_43 C2_43 C7_43 114.2(14) . . ?
C7_43 C2_43 B1_43 121.3(14) . . ?
C2_43 C3_43 H3_43 118.3 . . ?
C2_43 C3_43 C4_43 123.4(15) . . ?
C4_43 C3_43 H3_43 118.3 . . ?
C3_43 C4_43 C8_43 118.2(15) . . ?
C5_43 C4_43 C3_43 120.4(15) . . ?
C5_43 C4_43 C8_43 121.3(15) . . ?
C4_43 C5_43 H5_43 120.7 . . ?
C4_43 C5_43 C6_43 118.6(16) . . ?
C6_43 C5_43 H5_43 120.7 . . ?
C5_43 C6_43 C7_43 119.3(15) . . ?
C5_43 C6_43 C12_43 122.0(15) . . ?
C7_43 C6_43 C12_43 118.6(15) . . ?
C2_43 C7_43 H7_43 118.0 . . ?
C6_43 C7_43 C2_43 123.9(15) . . ?
C6_43 C7_43 H7_43 118.0 . . ?
F9_43 C8_43 C4_43 111.9(16) . . ?
F9_43 C8_43 F11_43 106.5(19) . . ?
F10_43 C8_43 C4_43 115.3(18) . . ?
F10_43 C8_43 F9_43 108.5(19) . . ?
F10_43 C8_43 F11_43 100.9(19) . . ?
F11_43 C8_43 C4_43 113.0(18) . . ?
F13_43 C12_43 C6_43 116.8(18) . . ?
F13_43 C12_43 F15_43 101.2(18) . . ?
F14_43 C12_43 C6_43 111.4(18) . . ?
F14_43 C12_43 F13_43 107.8(19) . . ?
F14_43 C12_43 F15_43 106.3(19) . . ?
F15_43 C12_43 C6_43 112.5(18) . . ?
C17_43 C16_43 B1_43 124.3(15) . . ?
C21_43 C16_43 B1_43 120.7(15) . . ?
C21_43 C16_43 C17_43 115.0(14) . . ?
C16_43 C17_43 H17_43 119.3 . . ?
C18_43 C17_43 C16_43 121.4(16) . . ?
C18_43 C17_43 H17_43 119.3 . . ?
C17_43 C18_43 C22_43 116.9(15) . . ?
C19_43 C18_43 C17_43 120.6(15) . . ?
C19_43 C18_43 C22_43 122.1(16) . . ?
C18_43 C19_43 H19_43 120.3 . . ?
C20_43 C19_43 C18_43 119.5(16) . . ?
C20_43 C19_43 H19_43 120.3 . . ?
C19_43 C20_43 C26_43 124.7(16) . . ?
C21_43 C20_43 C19_43 118.2(15) . . ?
C21_43 C20_43 C26_43 117.1(16) . . ?
C16_43 C21_43 H21_43 117.5 . . ?
C20_43 C21_43 C16_43 124.9(16) . . ?
C20_43 C21_43 H21_43 117.5 . . ?
F23_43 C22_43 C18_43 112.1(17) . . ?
F23_43 C22_43 F24_43 102.2(19) . . ?
F24_43 C22_43 C18_43 112.9(18) . . ?
F25_43 C22_43 C18_43 115(2) . . ?
F25_43 C22_43 F23_43 107(2) . . ?
F25_43 C22_43 F24_43 107(2) . . ?
F27_43 C26_43 C20_43 111.8(19) . . ?
F27_43 C26_43 F28_43 102.4(19) . . ?
F28_43 C26_43 C20_43 115.0(19) . . ?
F29_43 C26_43 C20_43 113.2(19) . . ?
F29_43 C26_43 F27_43 107(2) . . ?
F29_43 C26_43 F28_43 106(2) . . ?
C31_43 C30_43 B1_43 122.9(13) . . ?
C35_43 C30_43 B1_43 122.8(13) . . ?
C35_43 C30_43 C31_43 114.2(13) . . ?
C30_43 C31_43 H31_43 117.7 . . ?
C32_43 C31_43 C30_43 124.6(14) . . ?
C32_43 C31_43 H31_43 117.7 . . ?
C31_43 C32_43 C33_43 118.9(13) . . ?
C31_43 C32_43 C36_43 120.7(13) . . ?
C33_43 C32_43 C36_43 120.3(13) . . ?
C32_43 C33_43 H33_43 121.2 . . ?
C34_43 C33_43 C32_43 117.5(13) . . ?
C34_43 C33_43 H33_43 121.2 . . ?
C33_43 C34_43 C35_43 122.6(13) . . ?
C33_43 C34_43 C40_43 120.5(13) . . ?
C35_43 C34_43 C40_43 116.8(13) . . ?
C30_43 C35_43 H35_43 119.2 . . ?
C34_43 C35_43 C30_43 121.5(14) . . ?
C34_43 C35_43 H35_43 119.2 . . ?
F37_43 C36_43 C32_43 111.1(15) . . ?
F37_43 C36_43 F39_43 110.7(18) . . ?
F38_43 C36_43 C32_43 114.2(15) . . ?
F38_43 C36_43 F37_43 102.3(18) . . ?
F38_43 C36_43 F39_43 106.5(18) . . ?
F39_43 C36_43 C32_43 111.6(16) . . ?
F41_43 C40_43 C34_43 114.2(14) . . ?
F41_43 C40_43 F42_43 104.7(15) . . ?
F41_43 C40_43 F43_43 106.1(17) . . ?
F42_43 C40_43 C34_43 113.4(14) . . ?
F43_43 C40_43 C34_43 114.7(15) . . ?
F43_43 C40_43 F42_43 102.6(15) . . ?
C45_43 C44_43 B1_43 130.7(15) . . ?
C45_43 C44_43 C49_43 112.0(14) . . ?
C49_43 C44_43 B1_43 117.3(15) . . ?
C44_43 C45_43 H45_43 116.9 . . ?
C46_43 C45_43 C44_43 126.3(16) . . ?
C46_43 C45_43 H45_43 116.9 . . ?
C45_43 C46_43 C47_43 120.6(15) . . ?
C45_43 C46_43 C50_43 124.9(16) . . ?
C47_43 C46_43 C50_43 114.5(15) . . ?
C46_43 C47_43 H47_43 122.7 . . ?
C48_43 C47_43 C46_43 114.5(16) . . ?
C48_43 C47_43 H47_43 122.7 . . ?
C47_43 C48_43 C49_43 124.5(16) . . ?
C47_43 C48_43 C54_43 116.8(16) . . ?
C49_43 C48_43 C54_43 117.2(15) . . ?
C44_43 C49_43 H49_43 119.2 . . ?
C48_43 C49_43 C44_43 121.6(16) . . ?
C48_43 C49_43 H49_43 119.2 . . ?
F51_43 C50_43 C46_43 111.8(19) . . ?
F52_43 C50_43 C46_43 114.2(19) . . ?
F52_43 C50_43 F51_43 105(2) . . ?
F52_43 C50_43 F53_43 108(2) . . ?
F53_43 C50_43 C46_43 112.3(19) . . ?
F53_43 C50_43 F51_43 105(2) . . ?
F55_43 C54_43 C48_43 111.7(18) . . ?
F55_43 C54_43 F56_43 111(2) . . ?
F55_43 C54_43 F57_43 107(2) . . ?
F56_43 C54_43 C48_43 114.6(19) . . ?
F56_43 C54_43 F57_43 105(2) . . ?
F57_43 C54_43 C48_43 106.8(17) . . ?
N_51 C1_51 C2_51 179(3) . . ?
N_52 C1_52 C2_52 171(3) . . ?
N_54 C1_54 C2_54 175(3) . . ?
C1_55 N_55 Cs3_3 152(3) . . ?
N_55 C1_55 C2_55 161(3) . . ?
N_56 C1_56 C2_56 163(3) . . ?
N_57 C1_57 C2_57 170(6) . . ?
N_58 C1_58 C2_58 174(6) . . ?
N_59 C1_59 C2_59 174(5) . . ?
N_60 C1_60 C2_60 170(6) . . ?
N_61 C1_61 C2_61 168(5) . . ?
N_62 C1_62 C2_62 178(4) . . ?
N_63 C1_63 C2_63 172(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
Cs1_1 O1_21 C4_21 N3_21 -128.3(8) . . . . ?
Cs1_1 O1_21 C4_21 N5_21 50.3(11) . . . . ?
Cs1_1 O1_22 C4_22 N3_22 -133.8(7) . . . . ?
Cs1_1 O1_22 C4_22 N5_22 42.2(13) . . . . ?
Cs1_1 O1_23 C4_23 N3_23 -135.1(9) . . . . ?
Cs1_1 O1_23 C4_23 N5_23 45.2(13) . . . . ?
Cs1_1 O1_24 C4_24 N3_24 -125.4(9) . . . . ?
Cs1_1 O1_24 C4_24 N5_24 51.5(10) . . . . ?
Cs1_1 O1_25 C4_25 N3_25 -124.9(9) . . . . ?
Cs1_1 O1_25 C4_25 N5_25 52.8(11) . . . . ?
Cs1_1 O1_26 C4_26 N3_26 -167.8(7) . . . . ?
Cs1_1 O1_26 C4_26 N5_26 13.3(16) . . . . ?
Cs1_1 O1_27 C4_27 N3_27 -159.2(7) . . . . ?
Cs1_1 O1_27 C4_27 N5_27 22.1(16) . . . . ?
Cs1_1 O1_28 C4_28 N3_28 -154.4(7) . . . . ?
Cs1_1 O1_28 C4_28 N5_28 24.1(14) . . . . ?
Cs1_1 O1_29 C4_29 N3_29 -149.0(8) . . . . ?
Cs1_1 O1_29 C4_29 N5_29 32.9(17) . . . . ?
Cs1_1 O1_30 C4_30 N3_30 -157.4(8) . . . . ?
Cs1_1 O1_30 C4_30 N5_30 23.0(18) . . . . ?
Cs2_2 O1_16 C4_16 N3_16 139.4(7) . . . . ?
Cs2_2 O1_16 C4_16 N5_16 -42.6(11) . . . . ?
Cs2_2 O1_17 C4_17 N3_17 138.5(9) . . . . ?
Cs2_2 O1_17 C4_17 N5_17 -39.3(15) . . . . ?
Cs2_2 O1_18 C4_18 N3_18 133.8(9) . . . . ?
Cs2_2 O1_18 C4_18 N5_18 -45.5(15) . . . . ?
Cs2_2 O1_19 C4_19 N3_19 125.5(9) . . . . ?
Cs2_2 O1_19 C4_19 N5_19 -56.7(12) . . . . ?
Cs2_2 O1_20 C4_20 N3_20 132.7(8) . . . . ?
Cs2_2 O1_20 C4_20 N5_20 -46.2(12) . . . . ?
Cs2_2 O1_21 C4_21 N3_21 143.2(7) . . . . ?
Cs2_2 O1_21 C4_21 N5_21 -38.2(11) . . . . ?
Cs2_2 O1_22 C4_22 N3_22 137.3(7) . . . . ?
Cs2_2 O1_22 C4_22 N5_22 -46.8(11) . . . . ?
Cs2_2 O1_23 C4_23 N3_23 131.3(9) . . . . ?
Cs2_2 O1_23 C4_23 N5_23 -48.4(14) . . . . ?
Cs2_2 O1_24 C4_24 N3_24 146.3(8) . . . . ?
Cs2_2 O1_24 C4_24 N5_24 -36.8(16) . . . . ?
Cs2_2 O1_25 C4_25 N3_25 147.1(8) . . . . ?
Cs2_2 O1_25 C4_25 N5_25 -35.2(14) . . . . ?
Cs3_3 O1_11 C4_11 N3_11 -148.5(7) . . . . ?
Cs3_3 O1_11 C4_11 N5_11 33.9(13) . . . . ?
Cs3_3 O1_12 C4_12 N3_12 -147.7(8) . . . . ?
Cs3_3 O1_12 C4_12 N5_12 31.3(15) . . . . ?
Cs3_3 O1_13 C4_13 N3_13 -149.1(8) . . . . ?
Cs3_3 O1_13 C4_13 N5_13 31.8(15) . . . . ?
Cs3_3 O1_14 C4_14 N3_14 -144.2(8) . . . . ?
Cs3_3 O1_14 C4_14 N5_14 38.7(15) . . . . ?
Cs3_3 O1_15 C4_15 N3_15 -143.8(7) . . . . ?
Cs3_3 O1_15 C4_15 N5_15 35.7(13) . . . . ?
Cs3_3 O1_16 C4_16 N3_16 -130.0(8) . . . . ?
Cs3_3 O1_16 C4_16 N5_16 48.0(11) . . . . ?
Cs3_3 O1_17 C4_17 N3_17 -132.3(9) . . . . ?
Cs3_3 O1_17 C4_17 N5_17 49.9(13) . . . . ?
Cs3_3 O1_18 C4_18 N3_18 -131.7(9) . . . . ?
Cs3_3 O1_18 C4_18 N5_18 49.0(14) . . . . ?
Cs3_3 O1_19 C4_19 N3_19 -136.7(9) . . . . ?
Cs3_3 O1_19 C4_19 N5_19 41.1(14) . . . . ?
Cs3_3 O1_20 C4_20 N3_20 -133.0(8) . . . . ?
Cs3_3 O1_20 C4_20 N5_20 48.0(12) . . . . ?
Cs3_3 N_55 C1_55 C2_55 -161(10) . . . . ?
O1_11 C4_11 N5_11 C6_11 175.8(9) . . . . ?
N2_11 C6_11 C7_11 N8_11 -0.5(17) . . . . ?
N2_11 C6_11 C7_11 C11_11 -179.5(9) . . . . ?
N3_11 C4_11 N5_11 C6_11 -1.9(14) . . . . ?
C4_11 N3_11 C11_11 C7_11 -0.3(13) . . . . ?
C4_11 N3_11 C11_11 N10_11 -179.3(8) . . . . ?
C4_11 N5_11 C6_11 N2_11 -179.3(9) . . . . ?
C4_11 N5_11 C6_11 C7_11 0.9(13) . . . . ?
N5_11 C6_11 C7_11 N8_11 179.3(10) . . . . ?
N5_11 C6_11 C7_11 C11_11 0.3(13) . . . . ?
C6_11 C7_11 N8_11 C9_11 -177.7(11) . . . . ?
C6_11 C7_11 C11_11 N3_11 -0.6(15) . . . . ?
C6_11 C7_11 C11_11 N10_11 178.5(8) . . . . ?
C7_11 N8_11 C9_11 N10_11 -1.5(12) . . . . ?
N8_11 C7_11 C11_11 N3_11 -179.8(9) . . . . ?
N8_11 C7_11 C11_11 N10_11 -0.6(11) . . . . ?
N8_11 C9_11 N10_11 C11_11 1.2(12) . . . . ?
N8_11 C9_11 N10_11 C12_11 179.7(9) . . . . ?
C9_11 N10_11 C11_11 N3_11 178.9(9) . . . . ?
C9_11 N10_11 C11_11 C7_11 -0.3(10) . . . . ?
C9_11 N10_11 C12_11 O13_11 116.5(10) . . . . ?
C9_11 N10_11 C12_11 C16_11 0.6(13) . . . . ?
N10_11 C12_11 O13_11 C14_11 -92.2(8) . . . . ?
N10_11 C12_11 C16_11 C15_11 82.1(9) . . . . ?
C11_11 N3_11 C4_11 O1_11 -176.1(9) . . . . ?
C11_11 N3_11 C4_11 N5_11 1.5(11) . . . . ?
C11_11 C7_11 N8_11 C9_11 1.3(12) . . . . ?
C11_11 N10_11 C12_11 O13_11 -65.3(10) . . . . ?
C11_11 N10_11 C12_11 C16_11 178.8(8) . . . . ?
C12_11 N10_11 C11_11 N3_11 0.3(13) . . . . ?
C12_11 N10_11 C11_11 C7_11 -178.9(8) . . . . ?
C12_11 O13_11 C14_11 C15_11 -8.7(10) . . . . ?
C12_11 O13_11 C14_11 C17_11 113.7(9) . . . . ?
O13_11 C12_11 C16_11 C15_11 -35.7(9) . . . . ?
O13_11 C14_11 C15_11 C16_11 -14.3(11) . . . . ?
O13_11 C14_11 C15_11 O26_11 -136.4(9) . . . . ?
O13_11 C14_11 C17_11 O18_11 68.3(14) . . . . ?
C14_11 C15_11 C16_11 C12_11 29.7(10) . . . . ?
C14_11 C15_11 O26_11 Si27_11^a -133.0(9) . . . . ?
C14_11 C15_11 O26_11 Si27_11^b -166.3(11) . . . . ?
C14_11 C17_11 O18_11 Si19_11 -171.8(10) . . . . ?
C15_11 C14_11 C17_11 O18_11 -172.5(10) . . . . ?
C15_11 O26_11 Si27_11^a C28_11^a 59.1(16) . . . . ?
C15_11 O26_11 Si27_11^a C29_11^a -67.8(17) . . . . ?
C15_11 O26_11 Si27_11^a C30_11^a 175.8(11) . . . . ?
C15_11 O26_11 Si27_11^b C28_11^b 0(2) . . . . ?
C15_11 O26_11 Si27_11^b C29_11^b -120(2) . . . . ?
C15_11 O26_11 Si27_11^b C30_11^b 120.8(16) . . . . ?
C16_11 C12_11 O13_11 C14_11 28.3(9) . . . . ?
C16_11 C15_11 O26_11 Si27_11^a 111.4(11) . . . . ?
C16_11 C15_11 O26_11 Si27_11^b 78.0(15) . . . . ?
C17_11 C14_11 C15_11 C16_11 -136.0(10) . . . . ?
C17_11 C14_11 C15_11 O26_11 101.8(11) . . . . ?
C17_11 O18_11 Si19_11 C20_11 -138.1(15) . . . . ?
C17_11 O18_11 Si19_11 C21_11 -20.0(17) . . . . ?
C17_11 O18_11 Si19_11 C22_11 102.5(14) . . . . ?
O18_11 Si19_11 C22_11 C23_11 61.7(13) . . . . ?
O18_11 Si19_11 C22_11 C24_11 179.7(14) . . . . ?
O18_11 Si19_11 C22_11 C25_11 -59.0(14) . . . . ?
C20_11 Si19_11 C22_11 C23_11 -55.1(14) . . . . ?
C20_11 Si19_11 C22_11 C24_11 62.9(16) . . . . ?
C20_11 Si19_11 C22_11 C25_11 -175.9(14) . . . . ?
C21_11 Si19_11 C22_11 C23_11 -178.9(13) . . . . ?
C21_11 Si19_11 C22_11 C24_11 -60.8(16) . . . . ?
C21_11 Si19_11 C22_11 C25_11 60.4(15) . . . . ?
O26_11 C15_11 C16_11 C12_11 148.4(8) . . . . ?
O26_11 Si27_11^a C30_11^a C31_11^a -44.6(18) . . . . ?
O26_11 Si27_11^a C30_11^a C32_11^a 75.6(16) . . . . ?
O26_11 Si27_11^a C30_11^a C33_11^a -167.3(16) . . . . ?
O26_11 Si27_11^b C30_11^b C31_11^b -31(2) . . . . ?
O26_11 Si27_11^b C30_11^b C32_11^b 88(2) . . . . ?
O26_11 Si27_11^b C30_11^b C33_11^b -156(2) . . . . ?
C28_11^a Si27_11^a C30_11^a C31_11^a 76(2) . . . . ?
C28_11^a Si27_11^a C30_11^a C32_11^a -164.1(18) . . . . ?
C28_11^a Si27_11^a C30_11^a C33_11^a -47(2) . . . . ?
C29_11^a Si27_11^a C30_11^a C31_11^a -160(2) . . . . ?
C29_11^a Si27_11^a C30_11^a C32_11^a -40(2) . . . . ?
C29_11^a Si27_11^a C30_11^a C33_11^a 77(2) . . . . ?
C28_11^b Si27_11^b C30_11^b C31_11^b 88(3) . . . . ?
C28_11^b Si27_11^b C30_11^b C32_11^b -153(3) . . . . ?
C28_11^b Si27_11^b C30_11^b C33_11^b -37(3) . . . . ?
C29_11^b Si27_11^b C30_11^b C31_11^b -152(3) . . . . ?
C29_11^b Si27_11^b C30_11^b C32_11^b -33(3) . . . . ?
C29_11^b Si27_11^b C30_11^b C33_11^b 82(3) . . . . ?
O1_12 C4_12 N5_12 C6_12 175.0(11) . . . . ?
N2_12 C6_12 C7_12 N8_12 1(2) . . . . ?
N2_12 C6_12 C7_12 C11_12 -174.2(12) . . . . ?
N3_12 C4_12 N5_12 C6_12 -6.0(17) . . . . ?
C4_12 N3_12 C11_12 C7_12 3.8(17) . . . . ?
C4_12 N3_12 C11_12 N10_12 -176.8(11) . . . . ?
C4_12 N5_12 C6_12 N2_12 179.1(11) . . . . ?
C4_12 N5_12 C6_12 C7_12 6.2(17) . . . . ?
N5_12 C6_12 C7_12 N8_12 173.1(13) . . . . ?
N5_12 C6_12 C7_12 C11_12 -1.8(17) . . . . ?
C6_12 C7_12 N8_12 C9_12 -177.2(14) . . . . ?
C6_12 C7_12 C11_12 N3_12 -3.3(19) . . . . ?
C6_12 C7_12 C11_12 N10_12 177.2(11) . . . . ?
C7_12 N8_12 C9_12 N10_12 2.2(16) . . . . ?
N8_12 C7_12 C11_12 N3_12 -179.2(12) . . . . ?
N8_12 C7_12 C11_12 N10_12 1.3(14) . . . . ?
N8_12 C9_12 N10_12 C11_12 -1.5(16) . . . . ?
N8_12 C9_12 N10_12 C12_12 179.5(11) . . . . ?
C9_12 N10_12 C11_12 N3_12 -179.5(11) . . . . ?
C9_12 N10_12 C11_12 C7_12 0.0(13) . . . . ?
C9_12 N10_12 C12_12 O13_12 110.3(12) . . . . ?
C9_12 N10_12 C12_12 C16_12 -7.2(16) . . . . ?
N10_12 C12_12 O13_12 C14_12 -98.3(9) . . . . ?
N10_12 C12_12 C16_12 C15_12 83.5(10) . . . . ?
C11_12 N3_12 C4_12 O1_12 179.7(10) . . . . ?
C11_12 N3_12 C4_12 N5_12 0.8(15) . . . . ?
C11_12 C7_12 N8_12 C9_12 -2.1(15) . . . . ?
C11_12 N10_12 C12_12 O13_12 -68.6(12) . . . . ?
C11_12 N10_12 C12_12 C16_12 174.0(9) . . . . ?
C12_12 N10_12 C11_12 N3_12 -0.4(17) . . . . ?
C12_12 N10_12 C11_12 C7_12 179.1(10) . . . . ?
C12_12 O13_12 C14_12 C15_12 0.6(11) . . . . ?
C12_12 O13_12 C14_12 C17_12 126.4(9) . . . . ?
O13_12 C12_12 C16_12 C15_12 -36.0(10) . . . . ?
O13_12 C14_12 C15_12 C16_12 -23.1(10) . . . . ?
O13_12 C14_12 C15_12 O26_12 -144.7(9) . . . . ?
O13_12 C14_12 C17_12 O18_12 -65.0(15) . . . . ?
C14_12 C15_12 C16_12 C12_12 35.1(10) . . . . ?
C14_12 C15_12 O26_12 Si27_12 -168.8(7) . . . . ?
C14_12 C17_12 O18_12 Si19_12 -170.1(10) . . . . ?
C15_12 C14_12 C17_12 O18_12 54.7(16) . . . . ?
C15_12 O26_12 Si27_12 C28_12 -85.2(10) . . . . ?
C15_12 O26_12 Si27_12 C29_12 35.9(11) . . . . ?
C15_12 O26_12 Si27_12 C30_12 155.2(9) . . . . ?
C16_12 C12_12 O13_12 C14_12 22.9(10) . . . . ?
C16_12 C15_12 O26_12 Si27_12 76.8(12) . . . . ?
C17_12 C14_12 C15_12 C16_12 -144.4(10) . . . . ?
C17_12 C14_12 C15_12 O26_12 94.1(12) . . . . ?
C17_12 O18_12 Si19_12 C20_12 -146.4(16) . . . . ?
C17_12 O18_12 Si19_12 C21_12 -28.1(18) . . . . ?
C17_12 O18_12 Si19_12 C22_12 91.7(15) . . . . ?
O18_12 Si19_12 C22_12 C23_12 68.7(13) . . . . ?
O18_12 Si19_12 C22_12 C24_12 -176.8(14) . . . . ?
O18_12 Si19_12 C22_12 C25_12 -50.6(15) . . . . ?
C20_12 Si19_12 C22_12 C23_12 -50.7(14) . . . . ?
C20_12 Si19_12 C22_12 C24_12 63.9(16) . . . . ?
C20_12 Si19_12 C22_12 C25_12 -169.9(15) . . . . ?
C21_12 Si19_12 C22_12 C23_12 -172.3(14) . . . . ?
C21_12 Si19_12 C22_12 C24_12 -57.7(16) . . . . ?
C21_12 Si19_12 C22_12 C25_12 68.5(16) . . . . ?
O26_12 C15_12 C16_12 C12_12 153.1(9) . . . . ?
O26_12 Si27_12 C30_12 C31_12 54.9(13) . . . . ?
O26_12 Si27_12 C30_12 C32_12 -65.6(11) . . . . ?
O26_12 Si27_12 C30_12 C33_12 178.5(11) . . . . ?
C28_12 Si27_12 C30_12 C31_12 -62.1(13) . . . . ?
C28_12 Si27_12 C30_12 C32_12 177.4(11) . . . . ?
C28_12 Si27_12 C30_12 C33_12 61.4(13) . . . . ?
C29_12 Si27_12 C30_12 C31_12 172.9(12) . . . . ?
C29_12 Si27_12 C30_12 C32_12 52.4(13) . . . . ?
C29_12 Si27_12 C30_12 C33_12 -63.6(13) . . . . ?
O1_13 C4_13 N5_13 C6_13 177.6(10) . . . . ?
N2_13 C6_13 C7_13 N8_13 -1(2) . . . . ?
N2_13 C6_13 C7_13 C11_13 -177.2(12) . . . . ?
N3_13 C4_13 N5_13 C6_13 -1.6(17) . . . . ?
C4_13 N3_13 C11_13 C7_13 0.3(17) . . . . ?
C4_13 N3_13 C11_13 N10_13 179.5(11) . . . . ?
C4_13 N5_13 C6_13 N2_13 179.2(11) . . . . ?
C4_13 N5_13 C6_13 C7_13 -1.1(16) . . . . ?
N5_13 C6_13 C7_13 N8_13 178.8(12) . . . . ?
N5_13 C6_13 C7_13 C11_13 3.0(17) . . . . ?
C6_13 C7_13 N8_13 C9_13 -176.0(15) . . . . ?
C6_13 C7_13 C11_13 N3_13 -3(2) . . . . ?
C6_13 C7_13 C11_13 N10_13 177.7(11) . . . . ?
C7_13 N8_13 C9_13 N10_13 -1.3(18) . . . . ?
N8_13 C7_13 C11_13 N3_13 -179.5(12) . . . . ?
N8_13 C7_13 C11_13 N10_13 1.2(15) . . . . ?
N8_13 C9_13 N10_13 C11_13 2.1(18) . . . . ?
N8_13 C9_13 N10_13 C12_13 176.1(13) . . . . ?
C9_13 N10_13 C11_13 N3_13 178.8(12) . . . . ?
C9_13 N10_13 C11_13 C7_13 -1.8(15) . . . . ?
C9_13 N10_13 C12_13 O13_13 118.8(15) . . . . ?
C9_13 N10_13 C12_13 C16_13 1.4(19) . . . . ?
N10_13 C12_13 O13_13 C14_13 -96.4(10) . . . . ?
N10_13 C12_13 C16_13 C15_13 84.2(12) . . . . ?
C11_13 N3_13 C4_13 O1_13 -177.2(11) . . . . ?
C11_13 N3_13 C4_13 N5_13 1.9(15) . . . . ?
C11_13 C7_13 N8_13 C9_13 0.0(16) . . . . ?
C11_13 N10_13 C12_13 O13_13 -68.4(15) . . . . ?
C11_13 N10_13 C12_13 C16_13 174.2(11) . . . . ?
C12_13 N10_13 C11_13 N3_13 4.5(19) . . . . ?
C12_13 N10_13 C11_13 C7_13 -176.1(11) . . . . ?
C12_13 O13_13 C14_13 C15_13 -4.7(13) . . . . ?
C12_13 O13_13 C14_13 C17_13 122.8(11) . . . . ?
O13_13 C12_13 C16_13 C15_13 -35.3(12) . . . . ?
O13_13 C14_13 C15_13 C16_13 -18.0(13) . . . . ?
O13_13 C14_13 C15_13 O26_13 -137.6(11) . . . . ?
O13_13 C14_13 C17_13 O18_13 -60.4(17) . . . . ?
C14_13 C15_13 C16_13 C12_13 31.4(12) . . . . ?
C14_13 C15_13 O26_13 Si27_13 -132.4(12) . . . . ?
C14_13 C17_13 O18_13 Si19_13 177.4(11) . . . . ?
C15_13 C14_13 C17_13 O18_13 62.1(17) . . . . ?
C15_13 O26_13 Si27_13 C28_13 -65.3(18) . . . . ?
C15_13 O26_13 Si27_13 C29_13 53.3(18) . . . . ?
C15_13 O26_13 Si27_13 C30_13 175.5(14) . . . . ?
C16_13 C12_13 O13_13 C14_13 25.6(12) . . . . ?
C16_13 C15_13 O26_13 Si27_13 113.5(13) . . . . ?
C17_13 C14_13 C15_13 C16_13 -140.9(11) . . . . ?
C17_13 C14_13 C15_13 O26_13 99.5(14) . . . . ?
C17_13 O18_13 Si19_13 C20_13 41.1(18) . . . . ?
C17_13 O18_13 Si19_13 C21_13 161.0(15) . . . . ?
C17_13 O18_13 Si19_13 C22_13 -79.0(16) . . . . ?
O18_13 Si19_13 C22_13 C23_13 66.5(16) . . . . ?
O18_13 Si19_13 C22_13 C24_13 -175.7(12) . . . . ?
O18_13 Si19_13 C22_13 C25_13 -58.8(17) . . . . ?
C20_13 Si19_13 C22_13 C23_13 -53.8(18) . . . . ?
C20_13 Si19_13 C22_13 C24_13 63.9(15) . . . . ?
C20_13 Si19_13 C22_13 C25_13 -179.1(17) . . . . ?
C21_13 Si19_13 C22_13 C23_13 -177.7(16) . . . . ?
C21_13 Si19_13 C22_13 C24_13 -60.0(14) . . . . ?
C21_13 Si19_13 C22_13 C25_13 57.0(18) . . . . ?
O26_13 C15_13 C16_13 C12_13 148.7(10) . . . . ?
O26_13 Si27_13 C30_13 C31_13 56.1(18) . . . . ?
O26_13 Si27_13 C30_13 C32_13 -62.2(19) . . . . ?
O26_13 Si27_13 C30_13 C33_13 178.0(18) . . . . ?
C28_13 Si27_13 C30_13 C31_13 -60(2) . . . . ?
C28_13 Si27_13 C30_13 C32_13 -178(2) . . . . ?
C28_13 Si27_13 C30_13 C33_13 62(2) . . . . ?
C29_13 Si27_13 C30_13 C31_13 179.3(19) . . . . ?
C29_13 Si27_13 C30_13 C32_13 61(2) . . . . ?
C29_13 Si27_13 C30_13 C33_13 -59(2) . . . . ?
O1_14 C4_14 N5_14 C6_14 175.2(10) . . . . ?
N2_14 C6_14 C7_14 N8_14 0(2) . . . . ?
N2_14 C6_14 C7_14 C11_14 179.7(11) . . . . ?
N3_14 C4_14 N5_14 C6_14 -2.0(16) . . . . ?
C4_14 N3_14 C11_14 C7_14 2.3(17) . . . . ?
C4_14 N3_14 C11_14 N10_14 -179.6(10) . . . . ?
C4_14 N5_14 C6_14 N2_14 -177.9(10) . . . . ?
C4_14 N5_14 C6_14 C7_14 2.6(15) . . . . ?
N5_14 C6_14 C7_14 N8_14 179.1(11) . . . . ?
N5_14 C6_14 C7_14 C11_14 -1.0(15) . . . . ?
C6_14 C7_14 N8_14 C9_14 178.6(12) . . . . ?
C6_14 C7_14 C11_14 N3_14 -1.6(18) . . . . ?
C6_14 C7_14 C11_14 N10_14 -180.0(10) . . . . ?
C7_14 N8_14 C9_14 N10_14 2.2(14) . . . . ?
N8_14 C7_14 C11_14 N3_14 178.4(11) . . . . ?
N8_14 C7_14 C11_14 N10_14 0.0(13) . . . . ?
N8_14 C9_14 N10_14 C11_14 -2.3(14) . . . . ?
N8_14 C9_14 N10_14 C12_14 177.2(11) . . . . ?
C9_14 N10_14 C11_14 N3_14 -177.2(11) . . . . ?
C9_14 N10_14 C11_14 C7_14 1.3(12) . . . . ?
C9_14 N10_14 C12_14 O13_14 123.9(11) . . . . ?
C9_14 N10_14 C12_14 C16_14 5.8(15) . . . . ?
N10_14 C12_14 O13_14 C14_14 -107.3(10) . . . . ?
N10_14 C12_14 C16_14 C15_14 87.2(11) . . . . ?
C11_14 N3_14 C4_14 O1_14 -177.4(10) . . . . ?
C11_14 N3_14 C4_14 N5_14 -0.5(15) . . . . ?
C11_14 C7_14 N8_14 C9_14 -1.3(14) . . . . ?
C11_14 N10_14 C12_14 O13_14 -56.7(13) . . . . ?
C11_14 N10_14 C12_14 C16_14 -174.8(10) . . . . ?
C12_14 N10_14 C11_14 N3_14 3.3(18) . . . . ?
C12_14 N10_14 C11_14 C7_14 -178.2(10) . . . . ?
C12_14 O13_14 C14_14 C15_14 9.9(12) . . . . ?
C12_14 O13_14 C14_14 C17_14 134.7(10) . . . . ?
O13_14 C12_14 C16_14 C15_14 -34.3(11) . . . . ?
O13_14 C14_14 C15_14 C16_14 -30.6(11) . . . . ?
O13_14 C14_14 C15_14 O26_14^p -153.9(15) . . . . ?
O13_14 C14_14 C15_14 O26_14^b -145.7(11) . . . . ?
O13_14 C14_14 C17_14 O18_14 -68.8(14) . . . . ?
C14_14 C15_14 C16_14 C12_14 38.4(11) . . . . ?
C14_14 C15_14 O26_14^p Si27_14^p -168(2) . . . . ?
C14_14 C15_14 O26_14^b Si27_14^b -115.6(15) . . . . ?
C14_14 C17_14 O18_14 Si19_14 138.1(10) . . . . ?
C15_14 C14_14 C17_14 O18_14 50.9(14) . . . . ?
C15_14 O26_14^p Si27_14^p C28_14^p 177(3) . . . . ?
C15_14 O26_14^p Si27_14^p C29_14^p -68(3) . . . . ?
C15_14 O26_14^p Si27_14^p C30_14^p 60(3) . . . . ?
C15_14 O26_14^b Si27_14^b C28_14^b 50.6(19) . . . . ?
C15_14 O26_14^b Si27_14^b C29_14^b 165.6(16) . . . . ?
C15_14 O26_14^b Si27_14^b C30_14^b -74.8(17) . . . . ?
C16_14 C12_14 O13_14 C14_14 15.7(12) . . . . ?
C16_14 C15_14 O26_14^p Si27_14^p 79(3) . . . . ?
C16_14 C15_14 O26_14^b Si27_14^b 136.0(14) . . . . ?
C17_14 C14_14 C15_14 C16_14 -152.0(10) . . . . ?
C17_14 C14_14 C15_14 O26_14^p 84.7(17) . . . . ?
C17_14 C14_14 C15_14 O26_14^b 92.9(13) . . . . ?
C17_14 O18_14 Si19_14 C20_14 -169.2(12) . . . . ?
C17_14 O18_14 Si19_14 C21_14 -50.6(15) . . . . ?
C17_14 O18_14 Si19_14 C22_14 72.6(14) . . . . ?
O18_14 Si19_14 C22_14 C23_14 63.7(15) . . . . ?
O18_14 Si19_14 C22_14 C24_14 -178.0(14) . . . . ?
O18_14 Si19_14 C22_14 C25_14 -58.9(17) . . . . ?
C20_14 Si19_14 C22_14 C23_14 -50.7(16) . . . . ?
C20_14 Si19_14 C22_14 C24_14 67.6(16) . . . . ?
C20_14 Si19_14 C22_14 C25_14 -173.3(17) . . . . ?
C21_14 Si19_14 C22_14 C23_14 -171.4(15) . . . . ?
C21_14 Si19_14 C22_14 C24_14 -53.1(17) . . . . ?
C21_14 Si19_14 C22_14 C25_14 66.0(18) . . . . ?
O26_14^p C15_14 C16_14 C12_14 156.2(13) . . . . ?
O26_14^p Si27_14^p C30_14^p C31_14^p 47(2) . . . . ?
O26_14^p Si27_14^p C30_14^p C32_14^p -75(2) . . . . ?
O26_14^p Si27_14^p C30_14^p C33_14^p 165(2) . . . . ?
C28_14^p Si27_14^p C30_14^p C31_14^p -65(3) . . . . ?
C28_14^p Si27_14^p C30_14^p C32_14^p 173(3) . . . . ?
C28_14^p Si27_14^p C30_14^p C33_14^p 53(3) . . . . ?
C29_14^p Si27_14^p C30_14^p C31_14^p 172(2) . . . . ?
C29_14^p Si27_14^p C30_14^p C32_14^p 50(3) . . . . ?
C29_14^p Si27_14^p C30_14^p C33_14^p -70(3) . . . . ?
O26_14^b C15_14 C16_14 C12_14 151.3(11) . . . . ?
O26_14^b Si27_14^b C30_14^b C31_14^b 66.3(19) . . . . ?
O26_14^b Si27_14^b C30_14^b C32_14^b -58.3(18) . . . . ?
O26_14^b Si27_14^b C30_14^b C33_14^b -171.2(18) . . . . ?
C28_14^b Si27_14^b C30_14^b C31_14^b -57(2) . . . . ?
C28_14^b Si27_14^b C30_14^b C32_14^b 178.6(18) . . . . ?
C28_14^b Si27_14^b C30_14^b C33_14^b 66(2) . . . . ?
C29_14^b Si27_14^b C30_14^b C31_14^b -179.5(19) . . . . ?
C29_14^b Si27_14^b C30_14^b C32_14^b 55.9(19) . . . . ?
C29_14^b Si27_14^b C30_14^b C33_14^b -57(2) . . . . ?
O1_15 C4_15 N5_15 C6_15 177.8(8) . . . . ?
N2_15 C6_15 C7_15 N8_15 -1.5(17) . . . . ?
N2_15 C6_15 C7_15 C11_15 -178.7(9) . . . . ?
N3_15 C4_15 N5_15 C6_15 -2.8(14) . . . . ?
C4_15 N3_15 C11_15 C7_15 -1.0(15) . . . . ?
C4_15 N3_15 C11_15 N10_15 -177.3(9) . . . . ?
C4_15 N5_15 C6_15 N2_15 -179.9(9) . . . . ?
C4_15 N5_15 C6_15 C7_15 1.7(13) . . . . ?
N5_15 C6_15 C7_15 N8_15 176.9(9) . . . . ?
N5_15 C6_15 C7_15 C11_15 -0.3(12) . . . . ?
C6_15 C7_15 N8_15 C9_15 -176.5(10) . . . . ?
C6_15 C7_15 C11_15 N3_15 0.1(15) . . . . ?
C6_15 C7_15 C11_15 N10_15 177.0(8) . . . . ?
C7_15 N8_15 C9_15 N10_15 -0.6(11) . . . . ?
N8_15 C7_15 C11_15 N3_15 -177.7(9) . . . . ?
N8_15 C7_15 C11_15 N10_15 -0.7(10) . . . . ?
N8_15 C9_15 N10_15 C11_15 0.2(11) . . . . ?
N8_15 C9_15 N10_15 C12_15 177.1(9) . . . . ?
C9_15 N10_15 C11_15 N3_15 177.4(9) . . . . ?
C9_15 N10_15 C11_15 C7_15 0.3(10) . . . . ?
C9_15 N10_15 C12_15 O13_15 112.8(10) . . . . ?
C9_15 N10_15 C12_15 C16_15 -6.8(13) . . . . ?
N10_15 C12_15 O13_15 C14_15 -107.0(8) . . . . ?
N10_15 C12_15 C16_15 C15_15 91.1(9) . . . . ?
C11_15 N3_15 C4_15 O1_15 -178.4(9) . . . . ?
C11_15 N3_15 C4_15 N5_15 2.2(13) . . . . ?
C11_15 C7_15 N8_15 C9_15 0.8(11) . . . . ?
C11_15 N10_15 C12_15 O13_15 -70.9(10) . . . . ?
C11_15 N10_15 C12_15 C16_15 169.6(8) . . . . ?
C12_15 N10_15 C11_15 N3_15 0.3(15) . . . . ?
C12_15 N10_15 C11_15 C7_15 -176.8(8) . . . . ?
C12_15 O13_15 C14_15 C15_15 2.9(10) . . . . ?
C12_15 O13_15 C14_15 C17_15 128.6(8) . . . . ?
O13_15 C12_15 C16_15 C15_15 -29.7(10) . . . . ?
O13_15 C14_15 C15_15 C16_15 -21.1(9) . . . . ?
O13_15 C14_15 C15_15 O26_15 -139.2(7) . . . . ?
O13_15 C14_15 C17_15 O18_15^a -69.9(16) . . . . ?
O13_15 C14_15 C17_15 O18_15^b -77.6(18) . . . . ?
C14_15 C15_15 C16_15 C12_15 30.0(9) . . . . ?
C14_15 C15_15 O26_15 Si27_15 -114.6(9) . . . . ?
C14_15 C17_15 O18_15^a Si19_15^a 179.3(14) . . . . ?
C14_15 C17_15 O18_15^b Si19_15^b 143.1(18) . . . . ?
C15_15 C14_15 C17_15 O18_15^a 51.0(17) . . . . ?
C15_15 C14_15 C17_15 O18_15^b 43.3(18) . . . . ?
C15_15 O26_15 Si27_15 C28_15 -74.9(11) . . . . ?
C15_15 O26_15 Si27_15 C29_15 45.9(12) . . . . ?
C15_15 O26_15 Si27_15 C30_15 164.3(10) . . . . ?
C16_15 C12_15 O13_15 C14_15 17.1(9) . . . . ?
C16_15 C15_15 O26_15 Si27_15 132.5(9) . . . . ?
C17_15 C14_15 C15_15 C16_15 -142.8(9) . . . . ?
C17_15 C14_15 C15_15 O26_15 99.1(10) . . . . ?
C17_15 O18_15^a Si19_15^a C20_15^a -71(2) . . . . ?
C17_15 O18_15^a Si19_15^a C21_15^a 51(2) . . . . ?
C17_15 O18_15^a Si19_15^a C22_15^a 170.4(18) . . . . ?
C17_15 O18_15^b Si19_15^b C20_15^b -92(3) . . . . ?
C17_15 O18_15^b Si19_15^b C21_15^b 31(3) . . . . ?
C17_15 O18_15^b Si19_15^b C22_15^b 149(2) . . . . ?
O18_15^a Si19_15^a C22_15^a C23_15^a 73.3(16) . . . . ?
O18_15^a Si19_15^a C22_15^a C24_15^a -167.4(19) . . . . ?
O18_15^a Si19_15^a C22_15^a C25_15^a -46.3(18) . . . . ?
C20_15^a Si19_15^a C22_15^a C23_15^a -44.9(18) . . . . ?
C20_15^a Si19_15^a C22_15^a C24_15^a 74(2) . . . . ?
C20_15^a Si19_15^a C22_15^a C25_15^a -164.6(18) . . . . ?
C21_15^a Si19_15^a C22_15^a C23_15^a -169.6(16) . . . . ?
C21_15^a Si19_15^a C22_15^a C24_15^a -50(2) . . . . ?
C21_15^a Si19_15^a C22_15^a C25_15^a 70.7(18) . . . . ?
O18_15^b Si19_15^b C22_15^b C23_15^b 55(2) . . . . ?
O18_15^b Si19_15^b C22_15^b C24_15^b 175(2) . . . . ?
O18_15^b Si19_15^b C22_15^b C25_15^b -66(2) . . . . ?
C20_15^b Si19_15^b C22_15^b C23_15^b -63(2) . . . . ?
C20_15^b Si19_15^b C22_15^b C24_15^b 57(2) . . . . ?
C20_15^b Si19_15^b C22_15^b C25_15^b 177(2) . . . . ?
C21_15^b Si19_15^b C22_15^b C23_15^b 172(2) . . . . ?
C21_15^b Si19_15^b C22_15^b C24_15^b -68(2) . . . . ?
C21_15^b Si19_15^b C22_15^b C25_15^b 51(2) . . . . ?
O26_15 C15_15 C16_15 C12_15 147.8(8) . . . . ?
O26_15 Si27_15 C30_15 C31_15 59.1(13) . . . . ?
O26_15 Si27_15 C30_15 C32_15 -58.3(13) . . . . ?
O26_15 Si27_15 C30_15 C33_15 -178.7(13) . . . . ?
C28_15 Si27_15 C30_15 C31_15 -59.0(13) . . . . ?
C28_15 Si27_15 C30_15 C32_15 -176.4(12) . . . . ?
C28_15 Si27_15 C30_15 C33_15 63.2(15) . . . . ?
C29_15 Si27_15 C30_15 C31_15 177.8(12) . . . . ?
C29_15 Si27_15 C30_15 C32_15 60.4(13) . . . . ?
C29_15 Si27_15 C30_15 C33_15 -60.0(15) . . . . ?
O1_16 C4_16 N5_16 C6_16 -178.1(8) . . . . ?
N2_16 C6_16 C7_16 N8_16 0.1(15) . . . . ?
N2_16 C6_16 C7_16 C11_16 179.6(8) . . . . ?
N3_16 C4_16 N5_16 C6_16 0.0(14) . . . . ?
C4_16 N3_16 C11_16 C7_16 -2.6(13) . . . . ?
C4_16 N3_16 C11_16 N10_16 -179.9(8) . . . . ?
C4_16 N5_16 C6_16 N2_16 179.2(8) . . . . ?
C4_16 N5_16 C6_16 C7_16 0.4(12) . . . . ?
N5_16 C6_16 C7_16 N8_16 178.8(8) . . . . ?
N5_16 C6_16 C7_16 C11_16 -1.7(11) . . . . ?
C6_16 C7_16 N8_16 C9_16 179.2(9) . . . . ?
C6_16 C7_16 C11_16 N3_16 3.1(14) . . . . ?
C6_16 C7_16 C11_16 N10_16 -179.2(7) . . . . ?
C7_16 N8_16 C9_16 N10_16 0.1(10) . . . . ?
N8_16 C7_16 C11_16 N3_16 -177.3(8) . . . . ?
N8_16 C7_16 C11_16 N10_16 0.4(10) . . . . ?
N8_16 C9_16 N10_16 C11_16 0.1(11) . . . . ?
N8_16 C9_16 N10_16 C12_16 -173.0(8) . . . . ?
C9_16 N10_16 C11_16 N3_16 177.5(8) . . . . ?
C9_16 N10_16 C11_16 C7_16 -0.3(9) . . . . ?
C9_16 N10_16 C12_16 O13_16 33.4(12) . . . . ?
C9_16 N10_16 C12_16 C16_16 -85.4(11) . . . . ?
N10_16 C12_16 O13_16 C14_16 -132.7(7) . . . . ?
N10_16 C12_16 C16_16 C15_16 104.7(8) . . . . ?
C11_16 N3_16 C4_16 O1_16 178.9(9) . . . . ?
C11_16 N3_16 C4_16 N5_16 1.0(12) . . . . ?
C11_16 C7_16 N8_16 C9_16 -0.4(10) . . . . ?
C11_16 N10_16 C12_16 O13_16 -138.5(8) . . . . ?
C11_16 N10_16 C12_16 C16_16 102.7(9) . . . . ?
C12_16 N10_16 C11_16 N3_16 -9.0(14) . . . . ?
C12_16 N10_16 C11_16 C7_16 173.2(8) . . . . ?
C12_16 O13_16 C14_16 C15_16 29.4(9) . . . . ?
C12_16 O13_16 C14_16 C17_16 155.1(8) . . . . ?
O13_16 C12_16 C16_16 C15_16 -13.9(9) . . . . ?
O13_16 C14_16 C15_16 C16_16 -36.5(9) . . . . ?
O13_16 C14_16 C15_16 O26_16 -158.2(7) . . . . ?
O13_16 C14_16 C17_16 O18_16^a 72.7(12) . . . . ?
O13_16 C14_16 C17_16 O18_16^b 33(2) . . . . ?
C14_16 C15_16 C16_16 C12_16 30.0(9) . . . . ?
C14_16 C15_16 O26_16 Si27_16 -159.8(7) . . . . ?
C14_16 C17_16 O18_16^a Si19_16^a -146.9(10) . . . . ?
C14_16 C17_16 O18_16^b Si19_16^b 143.0(14) . . . . ?
C15_16 C14_16 C17_16 O18_16^a -168.5(9) . . . . ?
C15_16 C14_16 C17_16 O18_16^b 151.5(16) . . . . ?
C15_16 O26_16 Si27_16 C28_16 -60.4(10) . . . . ?
C15_16 O26_16 Si27_16 C29_16 61.7(12) . . . . ?
C15_16 O26_16 Si27_16 C30_16 -178.3(9) . . . . ?
C16_16 C12_16 O13_16 C14_16 -9.4(9) . . . . ?
C16_16 C15_16 O26_16 Si27_16 87.1(10) . . . . ?
C17_16 C14_16 C15_16 C16_16 -158.0(9) . . . . ?
C17_16 C14_16 C15_16 O26_16 80.3(11) . . . . ?
C17_16 O18_16^a Si19_16^a C20_16^a 24.6(15) . . . . ?
C17_16 O18_16^a Si19_16^a C21_16^a 141.3(13) . . . . ?
C17_16 O18_16^a Si19_16^a C22_16^a -96.1(14) . . . . ?
C17_16 O18_16^b Si19_16^b C20_16^b -53(3) . . . . ?
C17_16 O18_16^b Si19_16^b C21_16^b 68(2) . . . . ?
C17_16 O18_16^b Si19_16^b C22_16^b -170(2) . . . . ?
O18_16^a Si19_16^a C22_16^a C23_16^a 64.1(15) . . . . ?
O18_16^a Si19_16^a C22_16^a C24_16^a -177.1(15) . . . . ?
O18_16^a Si19_16^a C22_16^a C25_16^a -58.0(15) . . . . ?
C20_16^a Si19_16^a C22_16^a C23_16^a -54.2(17) . . . . ?
C20_16^a Si19_16^a C22_16^a C24_16^a 64.5(18) . . . . ?
C20_16^a Si19_16^a C22_16^a C25_16^a -176.4(14) . . . . ?
C21_16^a Si19_16^a C22_16^a C23_16^a -177.9(16) . . . . ?
C21_16^a Si19_16^a C22_16^a C24_16^a -59.2(18) . . . . ?
C21_16^a Si19_16^a C22_16^a C25_16^a 59.9(16) . . . . ?
O18_16^b Si19_16^b C22_16^b C23_16^b 60(2) . . . . ?
O18_16^b Si19_16^b C22_16^b C24_16^b 178(2) . . . . ?
O18_16^b Si19_16^b C22_16^b C25_16^b -57(2) . . . . ?
C20_16^b Si19_16^b C22_16^b C23_16^b -57(2) . . . . ?
C20_16^b Si19_16^b C22_16^b C24_16^b 62(3) . . . . ?
C20_16^b Si19_16^b C22_16^b C25_16^b -173(2) . . . . ?
C21_16^b Si19_16^b C22_16^b C23_16^b 179(2) . . . . ?
C21_16^b Si19_16^b C22_16^b C24_16^b -62(3) . . . . ?
C21_16^b Si19_16^b C22_16^b C25_16^b 63(2) . . . . ?
O26_16 C15_16 C16_16 C12_16 147.2(8) . . . . ?
O26_16 Si27_16 C30_16 C31_16 62.0(11) . . . . ?
O26_16 Si27_16 C30_16 C32_16 -57.6(13) . . . . ?
O26_16 Si27_16 C30_16 C33_16 -176.8(11) . . . . ?
C28_16 Si27_16 C30_16 C31_16 -54.4(13) . . . . ?
C28_16 Si27_16 C30_16 C32_16 -174.0(13) . . . . ?
C28_16 Si27_16 C30_16 C33_16 66.8(13) . . . . ?
C29_16 Si27_16 C30_16 C31_16 180.0(12) . . . . ?
C29_16 Si27_16 C30_16 C32_16 60.4(15) . . . . ?
C29_16 Si27_16 C30_16 C33_16 -58.8(13) . . . . ?
O1_17 C4_17 N5_17 C6_17 -178.5(10) . . . . ?
N2_17 C6_17 C7_17 N8_17 2.4(19) . . . . ?
N2_17 C6_17 C7_17 C11_17 178.6(10) . . . . ?
N3_17 C4_17 N5_17 C6_17 3.7(16) . . . . ?
C4_17 N3_17 C11_17 C7_17 -1.5(18) . . . . ?
C4_17 N3_17 C11_17 N10_17 -178.5(11) . . . . ?
C4_17 N5_17 C6_17 N2_17 178.1(10) . . . . ?
C4_17 N5_17 C6_17 C7_17 -1.3(15) . . . . ?
N5_17 C6_17 C7_17 N8_17 -178.2(11) . . . . ?
N5_17 C6_17 C7_17 C11_17 -2.0(14) . . . . ?
C6_17 C7_17 N8_17 C9_17 176.2(12) . . . . ?
C6_17 C7_17 C11_17 N3_17 3.7(18) . . . . ?
C6_17 C7_17 C11_17 N10_17 -178.9(9) . . . . ?
C7_17 N8_17 C9_17 N10_17 2.2(14) . . . . ?
N8_17 C7_17 C11_17 N3_17 -179.4(12) . . . . ?
N8_17 C7_17 C11_17 N10_17 -1.9(13) . . . . ?
N8_17 C9_17 N10_17 C11_17 -3.5(15) . . . . ?
N8_17 C9_17 N10_17 C12_17 -177.7(11) . . . . ?
C9_17 N10_17 C11_17 N3_17 -179.3(12) . . . . ?
C9_17 N10_17 C11_17 C7_17 3.1(13) . . . . ?
C9_17 N10_17 C12_17 O13_17 32.2(16) . . . . ?
C9_17 N10_17 C12_17 C16_17 -93.6(14) . . . . ?
N10_17 C12_17 O13_17 C14_17 -130.7(10) . . . . ?
N10_17 C12_17 C16_17 C15_17 100.7(11) . . . . ?
C11_17 N3_17 C4_17 O1_17 -179.9(11) . . . . ?
C11_17 N3_17 C4_17 N5_17 -2.1(16) . . . . ?
C11_17 C7_17 N8_17 C9_17 -0.1(13) . . . . ?
C11_17 N10_17 C12_17 O13_17 -140.8(11) . . . . ?
C11_17 N10_17 C12_17 C16_17 93.4(14) . . . . ?
C12_17 N10_17 C11_17 N3_17 -5.2(19) . . . . ?
C12_17 N10_17 C11_17 C7_17 177.3(10) . . . . ?
C12_17 O13_17 C14_17 C15_17 27.0(13) . . . . ?
C12_17 O13_17 C14_17 C17_17 149.2(11) . . . . ?
O13_17 C12_17 C16_17 C15_17 -24.8(14) . . . . ?
O13_17 C14_17 C15_17 C16_17 -41.0(12) . . . . ?
O13_17 C14_17 C15_17 O26_17^a -163.6(13) . . . . ?
O13_17 C14_17 C15_17 O26_17^b -160.2(15) . . . . ?
O13_17 C14_17 C17_17 O18_17 59.3(17) . . . . ?
C14_17 C15_17 C16_17 C12_17 38.1(12) . . . . ?
C14_17 C15_17 O26_17^a Si27_17^a -122.7(17) . . . . ?
C14_17 C15_17 O26_17^b Si27_17^b -176.1(19) . . . . ?
C14_17 C17_17 O18_17 Si19_17 158.2(13) . . . . ?
C15_17 C14_17 C17_17 O18_17 176.2(13) . . . . ?
C15_17 O26_17^a Si27_17^a C28_17^a 120.5(19) . . . . ?
C15_17 O26_17^a Si27_17^a C29_17^a 1(2) . . . . ?
C15_17 O26_17^a Si27_17^a C30_17^a -122.1(18) . . . . ?
C15_17 O26_17^b Si27_17^b C28_17^b -39(3) . . . . ?
C15_17 O26_17^b Si27_17^b C29_17^b -157(2) . . . . ?
C15_17 O26_17^b Si27_17^b C30_17^b 84(2) . . . . ?
C16_17 C12_17 O13_17 C14_17 -1.1(14) . . . . ?
C16_17 C15_17 O26_17^a Si27_17^a 123.9(18) . . . . ?
C16_17 C15_17 O26_17^b Si27_17^b 77(2) . . . . ?
C17_17 C14_17 C15_17 C16_17 -159.1(12) . . . . ?
C17_17 C14_17 C15_17 O26_17^a 78.3(17) . . . . ?
C17_17 C14_17 C15_17 O26_17^b 81.7(17) . . . . ?
C17_17 O18_17 Si19_17 C20_17 -61(2) . . . . ?
C17_17 O18_17 Si19_17 C21_17 59(2) . . . . ?
C17_17 O18_17 Si19_17 C22_17 172.5(16) . . . . ?
O18_17 Si19_17 C22_17 C23_17 64(2) . . . . ?
O18_17 Si19_17 C22_17 C24_17 -176.7(18) . . . . ?
O18_17 Si19_17 C22_17 C25_17 -56.9(18) . . . . ?
C20_17 Si19_17 C22_17 C23_17 -60(2) . . . . ?
C20_17 Si19_17 C22_17 C24_17 59(2) . . . . ?
C20_17 Si19_17 C22_17 C25_17 178.7(19) . . . . ?
C21_17 Si19_17 C22_17 C23_17 178.5(19) . . . . ?
C21_17 Si19_17 C22_17 C24_17 -62.5(19) . . . . ?
C21_17 Si19_17 C22_17 C25_17 57.3(19) . . . . ?
O26_17^a C15_17 C16_17 C12_17 160.8(12) . . . . ?
O26_17^a Si27_17^a C30_17^a C31_17^a -61.9(15) . . . . ?
O26_17^a Si27_17^a C30_17^a C32_17^a 58.2(16) . . . . ?
O26_17^a Si27_17^a C30_17^a C33_17^a 177.1(14) . . . . ?
C28_17^a Si27_17^a C30_17^a C31_17^a 52.8(17) . . . . ?
C28_17^a Si27_17^a C30_17^a C32_17^a 172.9(16) . . . . ?
C28_17^a Si27_17^a C30_17^a C33_17^a -68.2(17) . . . . ?
C29_17^a Si27_17^a C30_17^a C31_17^a 176.1(16) . . . . ?
C29_17^a Si27_17^a C30_17^a C32_17^a -63.8(18) . . . . ?
C29_17^a Si27_17^a C30_17^a C33_17^a 55.1(18) . . . . ?
O26_17^b C15_17 C16_17 C12_17 147.9(13) . . . . ?
O26_17^b Si27_17^b C30_17^b C31_17^b -59(2) . . . . ?
O26_17^b Si27_17^b C30_17^b C32_17^b 62.0(19) . . . . ?
O26_17^b Si27_17^b C30_17^b C33_17^b -179.4(17) . . . . ?
C28_17^b Si27_17^b C30_17^b C31_17^b 62(2) . . . . ?
C28_17^b Si27_17^b C30_17^b C32_17^b -178(2) . . . . ?
C28_17^b Si27_17^b C30_17^b C33_17^b -59(2) . . . . ?
C29_17^b Si27_17^b C30_17^b C31_17^b -176(2) . . . . ?
C29_17^b Si27_17^b C30_17^b C32_17^b -55(2) . . . . ?
C29_17^b Si27_17^b C30_17^b C33_17^b 64(2) . . . . ?
O1_18 C4_18 N5_18 C6_18 -174.0(11) . . . . ?
N2_18 C6_18 C7_18 N8_18 -4(2) . . . . ?
N2_18 C6_18 C7_18 C11_18 179.9(13) . . . . ?
N3_18 C4_18 N5_18 C6_18 6.6(18) . . . . ?
C4_18 N3_18 C11_18 C7_18 2(2) . . . . ?
C4_18 N3_18 C11_18 N10_18 -178.7(13) . . . . ?
C4_18 N5_18 C6_18 N2_18 177.6(11) . . . . ?
C4_18 N5_18 C6_18 C7_18 -7.8(17) . . . . ?
N5_18 C6_18 C7_18 N8_18 -178.2(13) . . . . ?
N5_18 C6_18 C7_18 C11_18 5.7(18) . . . . ?
C6_18 C7_18 N8_18 C9_18 -174.0(17) . . . . ?
C6_18 C7_18 C11_18 N3_18 -3(2) . . . . ?
C6_18 C7_18 C11_18 N10_18 177.1(13) . . . . ?
C7_18 N8_18 C9_18 N10_18 -4(2) . . . . ?
N8_18 C7_18 C11_18 N3_18 -179.9(14) . . . . ?
N8_18 C7_18 C11_18 N10_18 0.4(18) . . . . ?
N8_18 C9_18 N10_18 C11_18 5(2) . . . . ?
N8_18 C9_18 N10_18 C12_18 -164.8(18) . . . . ?
C9_18 N10_18 C11_18 N3_18 177.4(16) . . . . ?
C9_18 N10_18 C11_18 C7_18 -2.8(19) . . . . ?
C9_18 N10_18 C12_18 O13_18 36(3) . . . . ?
C9_18 N10_18 C12_18 C16_18 -94(2) . . . . ?
N10_18 C12_18 O13_18 C14_18 -117.9(17) . . . . ?
N10_18 C12_18 C16_18 C15_18 103.9(16) . . . . ?
C11_18 N3_18 C4_18 O1_18 177.8(11) . . . . ?
C11_18 N3_18 C4_18 N5_18 -2.8(15) . . . . ?
C11_18 C7_18 N8_18 C9_18 2.2(19) . . . . ?
C11_18 N10_18 C12_18 O13_18 -132.5(16) . . . . ?
C11_18 N10_18 C12_18 C16_18 98.1(18) . . . . ?
C12_18 N10_18 C11_18 N3_18 -12(2) . . . . ?
C12_18 N10_18 C11_18 C7_18 168.0(15) . . . . ?
C12_18 O13_18 C14_18 C15_18 7(2) . . . . ?
C12_18 O13_18 C14_18 C17_18 129.2(17) . . . . ?
O13_18 C12_18 C16_18 C15_18 -26(2) . . . . ?
O13_18 C14_18 C15_18 C16_18 -23(2) . . . . ?
O13_18 C14_18 C15_18 O26_18^a -149(2) . . . . ?
O13_18 C14_18 C15_18 O26_18^b -135.6(18) . . . . ?
O13_18 C14_18 C17_18 O18_18^a 70(3) . . . . ?
O13_18 C14_18 C17_18 O18_18^b 64(3) . . . . ?
C14_18 C15_18 C16_18 C12_18 28.2(19) . . . . ?
C14_18 C15_18 O26_18^a Si27_18^a -137.8(19) . . . . ?
C14_18 C15_18 O26_18^b Si27_18^b -116(3) . . . . ?
C14_18 C17_18 O18_18^a Si19_18^a 100(4) . . . . ?
C14_18 C17_18 O18_18^b Si19_18^b 143(2) . . . . ?
C15_18 C14_18 C17_18 O18_18^a -170(2) . . . . ?
C15_18 C14_18 C17_18 O18_18^b -176(2) . . . . ?
C15_18 O26_18^a Si27_18^a C28_18^a 53(2) . . . . ?
C15_18 O26_18^a Si27_18^a C29_18^a -66(3) . . . . ?
C15_18 O26_18^a Si27_18^a C30_18^a 170(2) . . . . ?
C15_18 O26_18^b Si27_18^b C28_18^b 1(3) . . . . ?
C15_18 O26_18^b Si27_18^b C29_18^b -117(3) . . . . ?
C15_18 O26_18^b Si27_18^b C30_18^b 124(3) . . . . ?
C16_18 C12_18 O13_18 C14_18 13(2) . . . . ?
C16_18 C15_18 O26_18^a Si27_18^a 102(2) . . . . ?
C16_18 C15_18 O26_18^b Si27_18^b 135(3) . . . . ?
C17_18 C14_18 C15_18 C16_18 -145.9(18) . . . . ?
C17_18 C14_18 C15_18 O26_18^a 88(2) . . . . ?
C17_18 C14_18 C15_18 O26_18^b 102(2) . . . . ?
C17_18 O18_18^a Si19_18^a C20_18^a -64(5) . . . . ?
C17_18 O18_18^a Si19_18^a C21_18^a 58(5) . . . . ?
C17_18 O18_18^a Si19_18^a C22_18^a 176(4) . . . . ?
C17_18 O18_18^b Si19_18^b C20_18^b -25(3) . . . . ?
C17_18 O18_18^b Si19_18^b C21_18^b 98(3) . . . . ?
C17_18 O18_18^b Si19_18^b C22_18^b -140(3) . . . . ?
O18_18^a Si19_18^a C22_18^a C23_18^a 95(3) . . . . ?
O18_18^a Si19_18^a C22_18^a C24_18^a -144(3) . . . . ?
O18_18^a Si19_18^a C22_18^a C25_18^a -23(3) . . . . ?
C20_18^a Si19_18^a C22_18^a C23_18^a -24(3) . . . . ?
C20_18^a Si19_18^a C22_18^a C24_18^a 97(3) . . . . ?
C20_18^a Si19_18^a C22_18^a C25_18^a -143(3) . . . . ?
C21_18^a Si19_18^a C22_18^a C23_18^a -147(3) . . . . ?
C21_18^a Si19_18^a C22_18^a C24_18^a -26(3) . . . . ?
C21_18^a Si19_18^a C22_18^a C25_18^a 95(3) . . . . ?
O18_18^b Si19_18^b C22_18^b C23_18^b 84(2) . . . . ?
O18_18^b Si19_18^b C22_18^b C24_18^b -159(2) . . . . ?
O18_18^b Si19_18^b C22_18^b C25_18^b -38(2) . . . . ?
C20_18^b Si19_18^b C22_18^b C23_18^b -34(2) . . . . ?
C20_18^b Si19_18^b C22_18^b C24_18^b 83(2) . . . . ?
C20_18^b Si19_18^b C22_18^b C25_18^b -156(2) . . . . ?
C21_18^b Si19_18^b C22_18^b C23_18^b -158(2) . . . . ?
C21_18^b Si19_18^b C22_18^b C24_18^b -41(2) . . . . ?
C21_18^b Si19_18^b C22_18^b C25_18^b 80(2) . . . . ?
O26_18^a C15_18 C16_18 C12_18 152.9(19) . . . . ?
O26_18^a Si27_18^a C30_18^a C31_18^a -57(3) . . . . ?
O26_18^a Si27_18^a C30_18^a C32_18^a 62(3) . . . . ?
O26_18^a Si27_18^a C30_18^a C33_18^a -178(3) . . . . ?
C28_18^a Si27_18^a C30_18^a C31_18^a 57(3) . . . . ?
C28_18^a Si27_18^a C30_18^a C32_18^a 175(3) . . . . ?
C28_18^a Si27_18^a C30_18^a C33_18^a -64(3) . . . . ?
C29_18^a Si27_18^a C30_18^a C31_18^a 178(3) . . . . ?
C29_18^a Si27_18^a C30_18^a C32_18^a -63(3) . . . . ?
C29_18^a Si27_18^a C30_18^a C33_18^a 57(3) . . . . ?
O26_18^b C15_18 C16_18 C12_18 131.2(19) . . . . ?
O26_18^b Si27_18^b C30_18^b C31_18^b -89(3) . . . . ?
O26_18^b Si27_18^b C30_18^b C32_18^b 32(3) . . . . ?
O26_18^b Si27_18^b C30_18^b C33_18^b 150(3) . . . . ?
C28_18^b Si27_18^b C30_18^b C31_18^b 31(4) . . . . ?
C28_18^b Si27_18^b C30_18^b C32_18^b 152(3) . . . . ?
C28_18^b Si27_18^b C30_18^b C33_18^b -90(3) . . . . ?
C29_18^b Si27_18^b C30_18^b C31_18^b 152(4) . . . . ?
C29_18^b Si27_18^b C30_18^b C32_18^b -87(4) . . . . ?
C29_18^b Si27_18^b C30_18^b C33_18^b 31(3) . . . . ?
O1_19 C4_19 N5_19 C6_19 -176.6(10) . . . . ?
N2_19 C6_19 C7_19 N8_19 3(2) . . . . ?
N2_19 C6_19 C7_19 C11_19 179.5(11) . . . . ?
N3_19 C4_19 N5_19 C6_19 1.2(16) . . . . ?
C4_19 N3_19 C11_19 C7_19 -3.6(16) . . . . ?
C4_19 N3_19 C11_19 N10_19 177.4(10) . . . . ?
C4_19 N5_19 C6_19 N2_19 178.3(10) . . . . ?
C4_19 N5_19 C6_19 C7_19 -1.1(15) . . . . ?
N5_19 C6_19 C7_19 N8_19 -177.7(11) . . . . ?
N5_19 C6_19 C7_19 C11_19 -1.1(15) . . . . ?
C6_19 C7_19 N8_19 C9_19 174.5(12) . . . . ?
C6_19 C7_19 C11_19 N3_19 3.8(17) . . . . ?
C6_19 C7_19 C11_19 N10_19 -177.1(10) . . . . ?
C7_19 N8_19 C9_19 N10_19 3.7(13) . . . . ?
N8_19 C7_19 C11_19 N3_19 -178.9(10) . . . . ?
N8_19 C7_19 C11_19 N10_19 0.2(12) . . . . ?
N8_19 C9_19 N10_19 C11_19 -3.6(13) . . . . ?
N8_19 C9_19 N10_19 C12_19 -175.9(9) . . . . ?
C9_19 N10_19 C11_19 N3_19 -179.0(10) . . . . ?
C9_19 N10_19 C11_19 C7_19 1.9(12) . . . . ?
C9_19 N10_19 C12_19 O13_19 29.8(13) . . . . ?
C9_19 N10_19 C12_19 C16_19 -90.4(11) . . . . ?
N10_19 C12_19 O13_19 C14_19 -121.7(9) . . . . ?
N10_19 C12_19 C16_19 C15_19 97.0(10) . . . . ?
C11_19 N3_19 C4_19 O1_19 178.8(10) . . . . ?
C11_19 N3_19 C4_19 N5_19 1.1(14) . . . . ?
C11_19 C7_19 N8_19 C9_19 -2.3(12) . . . . ?
C11_19 N10_19 C12_19 O13_19 -141.1(9) . . . . ?
C11_19 N10_19 C12_19 C16_19 98.6(11) . . . . ?
C12_19 N10_19 C11_19 N3_19 -6.6(16) . . . . ?
C12_19 N10_19 C11_19 C7_19 174.3(9) . . . . ?
C12_19 O13_19 C14_19 C15_19 20.8(11) . . . . ?
C12_19 O13_19 C14_19 C17_19 143.6(9) . . . . ?
O13_19 C12_19 C16_19 C15_19 -24.0(11) . . . . ?
O13_19 C14_19 C15_19 C16_19 -35.1(11) . . . . ?
O13_19 C14_19 C15_19 O26_19 -157.0(8) . . . . ?
O13_19 C14_19 C17_19 O18_19^a 73.5(15) . . . . ?
O13_19 C14_19 C17_19 O18_19^b 64.4(16) . . . . ?
C14_19 C15_19 C16_19 C12_19 35.1(11) . . . . ?
C14_19 C15_19 O26_19 Si27_19 -178.4(7) . . . . ?
C14_19 C17_19 O18_19^a Si19_19^a 120.4(17) . . . . ?
C14_19 C17_19 O18_19^b Si19_19^b 157.0(19) . . . . ?
C15_19 C14_19 C17_19 O18_19^a -169.1(12) . . . . ?
C15_19 C14_19 C17_19 O18_19^b -178.1(14) . . . . ?
C15_19 O26_19 Si27_19 C28_19 -76.1(11) . . . . ?
C15_19 O26_19 Si27_19 C29_19 43.7(10) . . . . ?
C15_19 O26_19 Si27_19 C30_19 162.1(8) . . . . ?
C16_19 C12_19 O13_19 C14_19 2.6(11) . . . . ?
C16_19 C15_19 O26_19 Si27_19 67.8(12) . . . . ?
C17_19 C14_19 C15_19 C16_19 -154.7(10) . . . . ?
C17_19 C14_19 C15_19 O26_19 83.4(12) . . . . ?
C17_19 O18_19^a Si19_19^a C20_19^a -72(2) . . . . ?
C17_19 O18_19^a Si19_19^a C21_19^a 48(2) . . . . ?
C17_19 O18_19^a Si19_19^a C22_19^a 171.9(17) . . . . ?
C17_19 O18_19^b Si19_19^b C20_19^b 63(3) . . . . ?
C17_19 O18_19^b Si19_19^b C21_19^b -180(2) . . . . ?
C17_19 O18_19^b Si19_19^b C22_19^b -59(3) . . . . ?
O18_19^a Si19_19^a C22_19^a C23_19^a 51.1(16) . . . . ?
O18_19^a Si19_19^a C22_19^a C24_19^a 170.9(15) . . . . ?
O18_19^a Si19_19^a C22_19^a C25_19^a -66.0(15) . . . . ?
C20_19^a Si19_19^a C22_19^a C23_19^a -66.5(16) . . . . ?
C20_19^a Si19_19^a C22_19^a C24_19^a 53.3(17) . . . . ?
C20_19^a Si19_19^a C22_19^a C25_19^a 176.4(15) . . . . ?
C21_19^a Si19_19^a C22_19^a C23_19^a 171.9(14) . . . . ?
C21_19^a Si19_19^a C22_19^a C24_19^a -68.2(16) . . . . ?
C21_19^a Si19_19^a C22_19^a C25_19^a 54.8(15) . . . . ?
O18_19^b Si19_19^b C22_19^b C23_19^b 91(2) . . . . ?
O18_19^b Si19_19^b C22_19^b C24_19^b -151.1(19) . . . . ?
O18_19^b Si19_19^b C22_19^b C25_19^b -32(2) . . . . ?
C20_19^b Si19_19^b C22_19^b C23_19^b -30(2) . . . . ?
C20_19^b Si19_19^b C22_19^b C24_19^b 87(2) . . . . ?
C20_19^b Si19_19^b C22_19^b C25_19^b -154(2) . . . . ?
C21_19^b Si19_19^b C22_19^b C23_19^b -152(2) . . . . ?
C21_19^b Si19_19^b C22_19^b C24_19^b -34(2) . . . . ?
C21_19^b Si19_19^b C22_19^b C25_19^b 85(2) . . . . ?
O26_19 C15_19 C16_19 C12_19 153.1(9) . . . . ?
O26_19 Si27_19 C30_19 C31_19 58.1(12) . . . . ?
O26_19 Si27_19 C30_19 C32_19 -64.1(11) . . . . ?
O26_19 Si27_19 C30_19 C33_19 177.1(11) . . . . ?
C28_19 Si27_19 C30_19 C31_19 -58.5(13) . . . . ?
C28_19 Si27_19 C30_19 C32_19 179.3(11) . . . . ?
C28_19 Si27_19 C30_19 C33_19 60.5(13) . . . . ?
C29_19 Si27_19 C30_19 C31_19 177.1(11) . . . . ?
C29_19 Si27_19 C30_19 C32_19 54.9(12) . . . . ?
C29_19 Si27_19 C30_19 C33_19 -63.9(12) . . . . ?
O1_20 C4_20 N5_20 C6_20 -178.0(9) . . . . ?
N2_20 C6_20 C7_20 N8_20 2.7(17) . . . . ?
N2_20 C6_20 C7_20 C11_20 -179.3(9) . . . . ?
N3_20 C4_20 N5_20 C6_20 3.1(14) . . . . ?
C4_20 N3_20 C11_20 C7_20 -1.2(14) . . . . ?
C4_20 N3_20 C11_20 N10_20 178.2(9) . . . . ?
C4_20 N5_20 C6_20 N2_20 177.0(9) . . . . ?
C4_20 N5_20 C6_20 C7_20 -2.3(13) . . . . ?
N5_20 C6_20 C7_20 N8_20 -178.1(9) . . . . ?
N5_20 C6_20 C7_20 C11_20 -0.1(13) . . . . ?
C6_20 C7_20 N8_20 C9_20 177.2(10) . . . . ?
C6_20 C7_20 C11_20 N3_20 2.0(15) . . . . ?
C6_20 C7_20 C11_20 N10_20 -177.5(8) . . . . ?
C7_20 N8_20 C9_20 N10_20 0.6(11) . . . . ?
N8_20 C7_20 C11_20 N3_20 -179.7(9) . . . . ?
N8_20 C7_20 C11_20 N10_20 0.9(11) . . . . ?
N8_20 C9_20 N10_20 C11_20 -0.1(11) . . . . ?
N8_20 C9_20 N10_20 C12_20 -171.1(8) . . . . ?
C9_20 N10_20 C11_20 N3_20 -180.0(8) . . . . ?
C9_20 N10_20 C11_20 C7_20 -0.5(10) . . . . ?
C9_20 N10_20 C12_20 O13_20 28.1(12) . . . . ?
C9_20 N10_20 C12_20 C16_20 -92.2(10) . . . . ?
N10_20 C12_20 O13_20 C14_20 -119.5(8) . . . . ?
N10_20 C12_20 C16_20 C15_20 94.9(8) . . . . ?
C11_20 N3_20 C4_20 O1_20 179.9(9) . . . . ?
C11_20 N3_20 C4_20 N5_20 -1.2(13) . . . . ?
C11_20 C7_20 N8_20 C9_20 -0.9(11) . . . . ?
C11_20 N10_20 C12_20 O13_20 -141.3(8) . . . . ?
C11_20 N10_20 C12_20 C16_20 98.4(10) . . . . ?
C12_20 N10_20 C11_20 N3_20 -8.6(13) . . . . ?
C12_20 N10_20 C11_20 C7_20 170.9(8) . . . . ?
C12_20 O13_20 C14_20 C15_20 17.5(10) . . . . ?
C12_20 O13_20 C14_20 C17_20 141.6(8) . . . . ?
O13_20 C12_20 C16_20 C15_20 -24.7(9) . . . . ?
O13_20 C14_20 C15_20 C16_20 -31.6(10) . . . . ?
O13_20 C14_20 C15_20 O26_20 -153.0(8) . . . . ?
O13_20 C14_20 C17_20 O18_20^a 62.9(12) . . . . ?
O13_20 C14_20 C17_20 O18_20^b 91.0(15) . . . . ?
C14_20 C15_20 C16_20 C12_20 33.0(9) . . . . ?
C14_20 C15_20 O26_20 Si27_20 -163.2(7) . . . . ?
C14_20 C17_20 O18_20^a Si19_20^a 124.1(12) . . . . ?
C14_20 C17_20 O18_20^b Si19_20^b 140(2) . . . . ?
C15_20 C14_20 C17_20 O18_20^a 179.4(9) . . . . ?
C15_20 C14_20 C17_20 O18_20^b -152.5(14) . . . . ?
C15_20 O26_20 Si27_20 C28_20 -54.5(12) . . . . ?
C15_20 O26_20 Si27_20 C29_20 60.2(13) . . . . ?
C15_20 O26_20 Si27_20 C30_20 -173.9(9) . . . . ?
C16_20 C12_20 O13_20 C14_20 4.7(10) . . . . ?
C16_20 C15_20 O26_20 Si27_20 84.5(10) . . . . ?
C17_20 C14_20 C15_20 C16_20 -146.8(10) . . . . ?
C17_20 C14_20 C15_20 O26_20 91.8(11) . . . . ?
C17_20 O18_20^a Si19_20^a C20_20^a -155.8(14) . . . . ?
C17_20 O18_20^a Si19_20^a C21_20^a -39.3(17) . . . . ?
C17_20 O18_20^a Si19_20^a C22_20^a 87.0(13) . . . . ?
C17_20 O18_20^b Si19_20^b C20_20^b -98(3) . . . . ?
C17_20 O18_20^b Si19_20^b C21_20^b 25(3) . . . . ?
C17_20 O18_20^b Si19_20^b C22_20^b 140(3) . . . . ?
O18_20^a Si19_20^a C22_20^a C23_20^a 66.5(13) . . . . ?
O18_20^a Si19_20^a C22_20^a C24_20^a -171.9(12) . . . . ?
O18_20^a Si19_20^a C22_20^a C25_20^a -55.4(13) . . . . ?
C20_20^a Si19_20^a C22_20^a C23_20^a -45.8(14) . . . . ?
C20_20^a Si19_20^a C22_20^a C24_20^a 75.8(14) . . . . ?
C20_20^a Si19_20^a C22_20^a C25_20^a -167.7(12) . . . . ?
C21_20^a Si19_20^a C22_20^a C23_20^a -172.7(14) . . . . ?
C21_20^a Si19_20^a C22_20^a C24_20^a -51.1(16) . . . . ?
C21_20^a Si19_20^a C22_20^a C25_20^a 65.4(15) . . . . ?
O18_20^b Si19_20^b C22_20^b C23_20^b 58(2) . . . . ?
O18_20^b Si19_20^b C22_20^b C24_20^b 179(2) . . . . ?
O18_20^b Si19_20^b C22_20^b C25_20^b -64(2) . . . . ?
C20_20^b Si19_20^b C22_20^b C23_20^b -63(3) . . . . ?
C20_20^b Si19_20^b C22_20^b C24_20^b 58(2) . . . . ?
C20_20^b Si19_20^b C22_20^b C25_20^b 175(2) . . . . ?
C21_20^b Si19_20^b C22_20^b C23_20^b 171(3) . . . . ?
C21_20^b Si19_20^b C22_20^b C24_20^b -69(2) . . . . ?
C21_20^b Si19_20^b C22_20^b C25_20^b 48(2) . . . . ?
O26_20 C15_20 C16_20 C12_20 149.9(8) . . . . ?
O26_20 Si27_20 C30_20 C31_20 70.1(15) . . . . ?
O26_20 Si27_20 C30_20 C32_20 -46.9(15) . . . . ?
O26_20 Si27_20 C30_20 C33_20 -164.7(15) . . . . ?
C28_20 Si27_20 C30_20 C31_20 -49.5(17) . . . . ?
C28_20 Si27_20 C30_20 C32_20 -166.6(15) . . . . ?
C28_20 Si27_20 C30_20 C33_20 75.7(17) . . . . ?
C29_20 Si27_20 C30_20 C31_20 -166.1(16) . . . . ?
C29_20 Si27_20 C30_20 C32_20 76.8(16) . . . . ?
C29_20 Si27_20 C30_20 C33_20 -40.9(18) . . . . ?
O1_21 C4_21 N5_21 C6_21 -178.4(8) . . . . ?
N2_21 C6_21 C7_21 N8_21 0.8(15) . . . . ?
N2_21 C6_21 C7_21 C11_21 -179.7(8) . . . . ?
N3_21 C4_21 N5_21 C6_21 0.2(13) . . . . ?
C4_21 N3_21 C11_21 C7_21 -0.2(14) . . . . ?
C4_21 N3_21 C11_21 N10_21 179.0(9) . . . . ?
C4_21 N5_21 C6_21 N2_21 179.8(8) . . . . ?
C4_21 N5_21 C6_21 C7_21 -0.9(12) . . . . ?
N5_21 C6_21 C7_21 N8_21 -178.5(9) . . . . ?
N5_21 C6_21 C7_21 C11_21 1.0(12) . . . . ?
C6_21 C7_21 N8_21 C9_21 -179.6(10) . . . . ?
C6_21 C7_21 C11_21 N3_21 -0.4(14) . . . . ?
C6_21 C7_21 C11_21 N10_21 -179.8(7) . . . . ?
C7_21 N8_21 C9_21 N10_21 -1.2(11) . . . . ?
N8_21 C7_21 C11_21 N3_21 179.2(9) . . . . ?
N8_21 C7_21 C11_21 N10_21 -0.3(10) . . . . ?
N8_21 C9_21 N10_21 C11_21 1.1(11) . . . . ?
N8_21 C9_21 N10_21 C12_21 -177.7(8) . . . . ?
C9_21 N10_21 C11_21 N3_21 -179.9(9) . . . . ?
C9_21 N10_21 C11_21 C7_21 -0.5(10) . . . . ?
C9_21 N10_21 C12_21 O13_21 50.6(11) . . . . ?
C9_21 N10_21 C12_21 C16_21 -68.8(12) . . . . ?
N10_21 C12_21 O13_21 C14_21 -123.6(8) . . . . ?
N10_21 C12_21 C16_21 C15_21 96.1(9) . . . . ?
C11_21 N3_21 C4_21 O1_21 178.9(9) . . . . ?
C11_21 N3_21 C4_21 N5_21 0.4(12) . . . . ?
C11_21 C7_21 N8_21 C9_21 0.9(10) . . . . ?
C11_21 N10_21 C12_21 O13_21 -128.0(9) . . . . ?
C11_21 N10_21 C12_21 C16_21 112.6(10) . . . . ?
C12_21 N10_21 C11_21 N3_21 -1.1(15) . . . . ?
C12_21 N10_21 C11_21 C7_21 178.4(8) . . . . ?
C12_21 O13_21 C14_21 C15_21 23.8(10) . . . . ?
C12_21 O13_21 C14_21 C17_21 149.2(8) . . . . ?
O13_21 C12_21 C16_21 C15_21 -23.1(10) . . . . ?
O13_21 C14_21 C15_21 C16_21 -37.2(10) . . . . ?
O13_21 C14_21 C15_21 O26_21^a -154.0(12) . . . . ?
O13_21 C14_21 C15_21 O26_21^b -164.0(15) . . . . ?
O13_21 C14_21 C17_21 O18_21^a -60.4(14) . . . . ?
O13_21 C14_21 C17_21 O18_21^b -71(2) . . . . ?
C14_21 C15_21 C16_21 C12_21 35.8(9) . . . . ?
C14_21 C15_21 O26_21^a Si27_21^a -174.2(14) . . . . ?
C14_21 C15_21 O26_21^b Si27_21^b -147(2) . . . . ?
C14_21 C17_21 O18_21^a Si19_21^a -178.1(11) . . . . ?
C14_21 C17_21 O18_21^b Si19_21^b -151(4) . . . . ?
C15_21 C14_21 C17_21 O18_21^a 57.8(15) . . . . ?
C15_21 C14_21 C17_21 O18_21^b 47(2) . . . . ?
C15_21 O26_21^a Si27_21^a C28_21^a -93(2) . . . . ?
C15_21 O26_21^a Si27_21^a C29_21^a 30(2) . . . . ?
C15_21 O26_21^a Si27_21^a C30_21^a 149.0(17) . . . . ?
C15_21 O26_21^b Si27_21^b C28_21^b -15(3) . . . . ?
C15_21 O26_21^b Si27_21^b C29_21^b -131(3) . . . . ?
C15_21 O26_21^b Si27_21^b C30_21^b 109(3) . . . . ?
C16_21 C12_21 O13_21 C14_21 -0.2(10) . . . . ?
C16_21 C15_21 O26_21^a Si27_21^a 75.3(19) . . . . ?
C16_21 C15_21 O26_21^b Si27_21^b 98(2) . . . . ?
C17_21 C14_21 C15_21 C16_21 -157.6(8) . . . . ?
C17_21 C14_21 C15_21 O26_21^a 85.7(14) . . . . ?
C17_21 C14_21 C15_21 O26_21^b 75.6(17) . . . . ?
C17_21 O18_21^a Si19_21^a C20_21^a -65.3(18) . . . . ?
C17_21 O18_21^a Si19_21^a C21_21^a 55(2) . . . . ?
C17_21 O18_21^a Si19_21^a C22_21^a 174.5(15) . . . . ?
C17_21 O18_21^b Si19_21^b C20_21^b 17(5) . . . . ?
C17_21 O18_21^b Si19_21^b C21_21^b 136(5) . . . . ?
C17_21 O18_21^b Si19_21^b C22_21^b -105(5) . . . . ?
O18_21^a Si19_21^a C22_21^a C23_21^a 65.1(15) . . . . ?
O18_21^a Si19_21^a C22_21^a C24_21^a -176.8(15) . . . . ?
O18_21^a Si19_21^a C22_21^a C25_21^a -56.4(14) . . . . ?
C20_21^a Si19_21^a C22_21^a C23_21^a -54.2(17) . . . . ?
C20_21^a Si19_21^a C22_21^a C24_21^a 63.9(17) . . . . ?
C20_21^a Si19_21^a C22_21^a C25_21^a -175.7(14) . . . . ?
C21_21^a Si19_21^a C22_21^a C23_21^a -177.1(17) . . . . ?
C21_21^a Si19_21^a C22_21^a C24_21^a -59.1(19) . . . . ?
C21_21^a Si19_21^a C22_21^a C25_21^a 61.4(18) . . . . ?
O18_21^b Si19_21^b C22_21^b C23_21^b 58(3) . . . . ?
O18_21^b Si19_21^b C22_21^b C24_21^b 177(3) . . . . ?
O18_21^b Si19_21^b C22_21^b C25_21^b -63(3) . . . . ?
C20_21^b Si19_21^b C22_21^b C23_21^b -64(3) . . . . ?
C20_21^b Si19_21^b C22_21^b C24_21^b 55(3) . . . . ?
C20_21^b Si19_21^b C22_21^b C25_21^b 175(3) . . . . ?
C21_21^b Si19_21^b C22_21^b C23_21^b 177(3) . . . . ?
C21_21^b Si19_21^b C22_21^b C24_21^b -64(3) . . . . ?
C21_21^b Si19_21^b C22_21^b C25_21^b 56(3) . . . . ?
O26_21^a C15_21 C16_21 C12_21 151.3(10) . . . . ?
O26_21^a Si27_21^a C30_21^a C31_21^a 49.4(17) . . . . ?
O26_21^a Si27_21^a C30_21^a C32_21^a -67.6(17) . . . . ?
O26_21^a Si27_21^a C30_21^a C33_21^a 174.2(18) . . . . ?
C28_21^a Si27_21^a C30_21^a C31_21^a -70.0(19) . . . . ?
C28_21^a Si27_21^a C30_21^a C32_21^a 173.0(18) . . . . ?
C28_21^a Si27_21^a C30_21^a C33_21^a 55(2) . . . . ?
C29_21^a Si27_21^a C30_21^a C31_21^a 169.7(19) . . . . ?
C29_21^a Si27_21^a C30_21^a C32_21^a 53(2) . . . . ?
C29_21^a Si27_21^a C30_21^a C33_21^a -66(2) . . . . ?
O26_21^b C15_21 C16_21 C12_21 154.9(12) . . . . ?
O26_21^b Si27_21^b C30_21^b C31_21^b -83(2) . . . . ?
O26_21^b Si27_21^b C30_21^b C32_21^b 41(2) . . . . ?
O26_21^b Si27_21^b C30_21^b C33_21^b 159(2) . . . . ?
C28_21^b Si27_21^b C30_21^b C31_21^b 39(3) . . . . ?
C28_21^b Si27_21^b C30_21^b C32_21^b 163(3) . . . . ?
C28_21^b Si27_21^b C30_21^b C33_21^b -80(3) . . . . ?
C29_21^b Si27_21^b C30_21^b C31_21^b 158(3) . . . . ?
C29_21^b Si27_21^b C30_21^b C32_21^b -78(3) . . . . ?
C29_21^b Si27_21^b C30_21^b C33_21^b 39(2) . . . . ?
O1_22 C4_22 N5_22 C6_22 -178.1(10) . . . . ?
N2_22 C6_22 C7_22 N8_22 1(2) . . . . ?
N2_22 C6_22 C7_22 C11_22 -179.0(11) . . . . ?
N3_22 C4_22 N5_22 C6_22 -2.1(15) . . . . ?
C4_22 N3_22 C11_22 C7_22 -1.1(14) . . . . ?
C4_22 N3_22 C11_22 N10_22 177.4(9) . . . . ?
C4_22 N5_22 C6_22 N2_22 -179.9(10) . . . . ?
C4_22 N5_22 C6_22 C7_22 1.1(15) . . . . ?
N5_22 C6_22 C7_22 N8_22 -179.9(10) . . . . ?
N5_22 C6_22 C7_22 C11_22 -0.1(14) . . . . ?
C6_22 C7_22 N8_22 C9_22 -179.9(12) . . . . ?
C6_22 C7_22 C11_22 N3_22 0.2(16) . . . . ?
C6_22 C7_22 C11_22 N10_22 -178.5(9) . . . . ?
C7_22 N8_22 C9_22 N10_22 -2.0(13) . . . . ?
N8_22 C7_22 C11_22 N3_22 -180.0(10) . . . . ?
N8_22 C7_22 C11_22 N10_22 1.3(12) . . . . ?
N8_22 C9_22 N10_22 C11_22 2.9(13) . . . . ?
N8_22 C9_22 N10_22 C12_22 179.0(9) . . . . ?
C9_22 N10_22 C11_22 N3_22 178.8(9) . . . . ?
C9_22 N10_22 C11_22 C7_22 -2.4(11) . . . . ?
C9_22 N10_22 C12_22 O13_22 38.9(12) . . . . ?
C9_22 N10_22 C12_22 C16_22 -80.3(12) . . . . ?
N10_22 C12_22 O13_22 C14_22 -120.4(7) . . . . ?
N10_22 C12_22 C16_22 C15_22 92.5(8) . . . . ?
C11_22 N3_22 C4_22 O1_22 177.8(9) . . . . ?
C11_22 N3_22 C4_22 N5_22 1.9(12) . . . . ?
C11_22 C7_22 N8_22 C9_22 0.4(12) . . . . ?
C11_22 N10_22 C12_22 O13_22 -145.9(9) . . . . ?
C11_22 N10_22 C12_22 C16_22 95.0(10) . . . . ?
C12_22 N10_22 C11_22 N3_22 2.8(15) . . . . ?
C12_22 N10_22 C11_22 C7_22 -178.4(9) . . . . ?
C12_22 O13_22 C14_22 C15_22 22.9(9) . . . . ?
C12_22 O13_22 C14_22 C17_22 147.1(7) . . . . ?
O13_22 C12_22 C16_22 C15_22 -27.0(8) . . . . ?
O13_22 C14_22 C15_22 C16_22 -38.6(9) . . . . ?
O13_22 C14_22 C15_22 O26_22 -159.7(7) . . . . ?
O13_22 C14_22 C17_22 O18_22 -62.6(10) . . . . ?
C14_22 C15_22 C16_22 C12_22 39.2(8) . . . . ?
C14_22 C15_22 O26_22 Si27_22^a -146.4(9) . . . . ?
C14_22 C15_22 O26_22 Si27_22^b -126.9(9) . . . . ?
C14_22 C17_22 O18_22 Si19_22 -177.5(6) . . . . ?
C15_22 C14_22 C17_22 O18_22 53.8(11) . . . . ?
C15_22 O26_22 Si27_22^a C28_22^a -89.5(14) . . . . ?
C15_22 O26_22 Si27_22^a C29_22^a 29.9(16) . . . . ?
C15_22 O26_22 Si27_22^a C30_22^a 151.8(10) . . . . ?
C15_22 O26_22 Si27_22^b C28_22^b 121.5(14) . . . . ?
C15_22 O26_22 Si27_22^b C29_22^b 2.6(15) . . . . ?
C15_22 O26_22 Si27_22^b C30_22^b -119.0(11) . . . . ?
C16_22 C12_22 O13_22 C14_22 2.8(9) . . . . ?
C16_22 C15_22 O26_22 Si27_22^a 101.1(11) . . . . ?
C16_22 C15_22 O26_22 Si27_22^b 120.6(10) . . . . ?
C17_22 C14_22 C15_22 C16_22 -158.0(8) . . . . ?
C17_22 C14_22 C15_22 O26_22 81.0(10) . . . . ?
C17_22 O18_22 Si19_22 C20_22 -61.2(11) . . . . ?
C17_22 O18_22 Si19_22 C21_22 58.5(10) . . . . ?
C17_22 O18_22 Si19_22 C22_22 179.2(8) . . . . ?
O18_22 Si19_22 C22_22 C23_22 68.7(9) . . . . ?
O18_22 Si19_22 C22_22 C24_22 -170.5(10) . . . . ?
O18_22 Si19_22 C22_22 C25_22 -54.0(9) . . . . ?
C20_22 Si19_22 C22_22 C23_22 -48.3(10) . . . . ?
C20_22 Si19_22 C22_22 C24_22 72.4(12) . . . . ?
C20_22 Si19_22 C22_22 C25_22 -171.0(9) . . . . ?
C21_22 Si19_22 C22_22 C23_22 -172.8(9) . . . . ?
C21_22 Si19_22 C22_22 C24_22 -52.0(12) . . . . ?
C21_22 Si19_22 C22_22 C25_22 64.5(10) . . . . ?
O26_22 C15_22 C16_22 C12_22 156.9(7) . . . . ?
O26_22 Si27_22^a C30_22^a C31_22^a 65.9(15) . . . . ?
O26_22 Si27_22^a C30_22^a C32_22^a -58.2(17) . . . . ?
O26_22 Si27_22^a C30_22^a C33_22^a -175.2(15) . . . . ?
O26_22 Si27_22^b C30_22^b C31_22^b -68.0(16) . . . . ?
O26_22 Si27_22^b C30_22^b C32_22^b 52.3(17) . . . . ?
O26_22 Si27_22^b C30_22^b C33_22^b 171.5(15) . . . . ?
C28_22^a Si27_22^a C30_22^a C31_22^a -51.3(18) . . . . ?
C28_22^a Si27_22^a C30_22^a C32_22^a -175.4(19) . . . . ?
C28_22^a Si27_22^a C30_22^a C33_22^a 67.6(19) . . . . ?
C29_22^a Si27_22^a C30_22^a C31_22^a -171.9(16) . . . . ?
C29_22^a Si27_22^a C30_22^a C32_22^a 64.0(19) . . . . ?
C29_22^a Si27_22^a C30_22^a C33_22^a -53.0(18) . . . . ?
C28_22^b Si27_22^b C30_22^b C31_22^b 49.7(19) . . . . ?
C28_22^b Si27_22^b C30_22^b C32_22^b 170.0(19) . . . . ?
C28_22^b Si27_22^b C30_22^b C33_22^b -70.7(19) . . . . ?
C29_22^b Si27_22^b C30_22^b C31_22^b 171.3(16) . . . . ?
C29_22^b Si27_22^b C30_22^b C32_22^b -68.4(18) . . . . ?
C29_22^b Si27_22^b C30_22^b C33_22^b 50.9(18) . . . . ?
O1_23 C4_23 N5_23 C6_23 -177.6(10) . . . . ?
N2_23 C6_23 C7_23 N8_23 6(2) . . . . ?
N2_23 C6_23 C7_23 C11_23 177.3(12) . . . . ?
N3_23 C4_23 N5_23 C6_23 2.6(17) . . . . ?
C4_23 N3_23 C11_23 C7_23 -3.4(19) . . . . ?
C4_23 N3_23 C11_23 N10_23 179.0(13) . . . . ?
C4_23 N5_23 C6_23 N2_23 179.0(11) . . . . ?
C4_23 N5_23 C6_23 C7_23 -0.4(16) . . . . ?
N5_23 C6_23 C7_23 N8_23 -175.0(13) . . . . ?
N5_23 C6_23 C7_23 C11_23 -3.3(16) . . . . ?
C6_23 C7_23 N8_23 C9_23 175.9(15) . . . . ?
C6_23 C7_23 C11_23 N3_23 6(2) . . . . ?
C6_23 C7_23 C11_23 N10_23 -176.3(11) . . . . ?
C7_23 N8_23 C9_23 N10_23 -3(2) . . . . ?
N8_23 C7_23 C11_23 N3_23 178.9(13) . . . . ?
N8_23 C7_23 C11_23 N10_23 -3.1(16) . . . . ?
N8_23 C9_23 N10_23 C11_23 1(2) . . . . ?
N8_23 C9_23 N10_23 C12_23 -177.1(14) . . . . ?
C9_23 N10_23 C11_23 N3_23 179.3(14) . . . . ?
C9_23 N10_23 C11_23 C7_23 1.2(16) . . . . ?
C9_23 N10_23 C12_23 O13_23 31(2) . . . . ?
C9_23 N10_23 C12_23 C16_23 -85.9(17) . . . . ?
N10_23 C12_23 O13_23 C14_23 -114.1(12) . . . . ?
N10_23 C12_23 C16_23 C15_23 89.4(11) . . . . ?
C11_23 N3_23 C4_23 O1_23 179.5(11) . . . . ?
C11_23 N3_23 C4_23 N5_23 -0.8(16) . . . . ?
C11_23 C7_23 N8_23 C9_23 3.7(18) . . . . ?
C11_23 N10_23 C12_23 O13_23 -147.1(12) . . . . ?
C11_23 N10_23 C12_23 C16_23 96.2(14) . . . . ?
C12_23 N10_23 C11_23 N3_23 -2(2) . . . . ?
C12_23 N10_23 C11_23 C7_23 179.6(12) . . . . ?
C12_23 O13_23 C14_23 C15_23 19.0(14) . . . . ?
C12_23 O13_23 C14_23 C17_23 142.5(12) . . . . ?
O13_23 C12_23 C16_23 C15_23 -28.8(13) . . . . ?
O13_23 C14_23 C15_23 C16_23 -35.9(13) . . . . ?
O13_23 C14_23 C15_23 O26_23^a -156.0(13) . . . . ?
O13_23 C14_23 C15_23 O26_23^b -157.9(14) . . . . ?
O13_23 C14_23 C17_23 O18_23 -66(2) . . . . ?
C14_23 C15_23 C16_23 C12_23 38.1(12) . . . . ?
C14_23 C15_23 O26_23^a Si27_23^a -120.6(17) . . . . ?
C14_23 C15_23 O26_23^b Si27_23^b -140.8(18) . . . . ?
C14_23 C17_23 O18_23 Si19_23 -168.2(17) . . . . ?
C15_23 C14_23 C17_23 O18_23 53(2) . . . . ?
C15_23 O26_23^a Si27_23^a C28_23^a 4(3) . . . . ?
C15_23 O26_23^a Si27_23^a C29_23^a 127(2) . . . . ?
C15_23 O26_23^a Si27_23^a C30_23^a -114(2) . . . . ?
C15_23 O26_23^b Si27_23^b C28_23^b 43(2) . . . . ?
C15_23 O26_23^b Si27_23^b C29_23^b -76(2) . . . . ?
C15_23 O26_23^b Si27_23^b C30_23^b 162.2(19) . . . . ?
C16_23 C12_23 O13_23 C14_23 6.3(14) . . . . ?
C16_23 C15_23 O26_23^a Si27_23^a 132.4(16) . . . . ?
C16_23 C15_23 O26_23^b Si27_23^b 104(2) . . . . ?
C17_23 C14_23 C15_23 C16_23 -155.5(12) . . . . ?
C17_23 C14_23 C15_23 O26_23^a 84.5(15) . . . . ?
C17_23 C14_23 C15_23 O26_23^b 82.6(17) . . . . ?
C17_23 O18_23 Si19_23 C20_23 30(3) . . . . ?
C17_23 O18_23 Si19_23 C21_23 151(3) . . . . ?
C17_23 O18_23 Si19_23 C22_23 -90(3) . . . . ?
O18_23 Si19_23 C22_23 C23_23 52.2(16) . . . . ?
O18_23 Si19_23 C22_23 C24_23 170.9(17) . . . . ?
O18_23 Si19_23 C22_23 C25_23 -67.8(18) . . . . ?
C20_23 Si19_23 C22_23 C23_23 -69.6(18) . . . . ?
C20_23 Si19_23 C22_23 C24_23 49(2) . . . . ?
C20_23 Si19_23 C22_23 C25_23 170.4(19) . . . . ?
C21_23 Si19_23 C22_23 C23_23 167.7(17) . . . . ?
C21_23 Si19_23 C22_23 C24_23 -73.6(19) . . . . ?
C21_23 Si19_23 C22_23 C25_23 48(2) . . . . ?
O26_23^a C15_23 C16_23 C12_23 145.4(14) . . . . ?
O26_23^a Si27_23^a C30_23^a C31_23^a 54(2) . . . . ?
O26_23^a Si27_23^a C30_23^a C32_23^a -64(2) . . . . ?
O26_23^a Si27_23^a C30_23^a C33_23^a 174(2) . . . . ?
C28_23^a Si27_23^a C30_23^a C31_23^a -64(2) . . . . ?
C28_23^a Si27_23^a C30_23^a C32_23^a 178(2) . . . . ?
C28_23^a Si27_23^a C30_23^a C33_23^a 56(2) . . . . ?
C29_23^a Si27_23^a C30_23^a C31_23^a 171(2) . . . . ?
C29_23^a Si27_23^a C30_23^a C32_23^a 53(2) . . . . ?
C29_23^a Si27_23^a C30_23^a C33_23^a -68(2) . . . . ?
O26_23^b C15_23 C16_23 C12_23 163.9(12) . . . . ?
O26_23^b Si27_23^b C30_23^b C31_23^b -53.1(16) . . . . ?
O26_23^b Si27_23^b C30_23^b C32_23^b 69.9(16) . . . . ?
O26_23^b Si27_23^b C30_23^b C33_23^b -174.1(16) . . . . ?
C28_23^b Si27_23^b C30_23^b C31_23^b 62.7(17) . . . . ?
C28_23^b Si27_23^b C30_23^b C32_23^b -174.3(17) . . . . ?
C28_23^b Si27_23^b C30_23^b C33_23^b -58.3(19) . . . . ?
C29_23^b Si27_23^b C30_23^b C31_23^b -174.1(17) . . . . ?
C29_23^b Si27_23^b C30_23^b C32_23^b -51.1(19) . . . . ?
C29_23^b Si27_23^b C30_23^b C33_23^b 65(2) . . . . ?
O1_24 C4_24 N5_24 C6_24 -177.5(9) . . . . ?
N2_24 C6_24 C7_24 N8_24 -1.8(18) . . . . ?
N2_24 C6_24 C7_24 C11_24 -179.8(10) . . . . ?
N3_24 C4_24 N5_24 C6_24 -0.4(15) . . . . ?
C4_24 N3_24 C11_24 C7_24 -0.9(16) . . . . ?
C4_24 N3_24 C11_24 N10_24 -179.8(10) . . . . ?
C4_24 N5_24 C6_24 N2_24 180.0(9) . . . . ?
C4_24 N5_24 C6_24 C7_24 -0.5(14) . . . . ?
N5_24 C6_24 C7_24 N8_24 178.7(10) . . . . ?
N5_24 C6_24 C7_24 C11_24 0.7(14) . . . . ?
C6_24 C7_24 N8_24 C9_24 180.0(13) . . . . ?
C6_24 C7_24 C11_24 N3_24 -0.1(17) . . . . ?
C6_24 C7_24 C11_24 N10_24 179.0(10) . . . . ?
C7_24 N8_24 C9_24 N10_24 2.5(16) . . . . ?
N8_24 C7_24 C11_24 N3_24 -178.3(10) . . . . ?
N8_24 C7_24 C11_24 N10_24 0.7(12) . . . . ?
N8_24 C9_24 N10_24 C11_24 -2.2(17) . . . . ?
N8_24 C9_24 N10_24 C12_24 179.9(12) . . . . ?
C9_24 N10_24 C11_24 N3_24 179.9(12) . . . . ?
C9_24 N10_24 C11_24 C7_24 0.8(13) . . . . ?
C9_24 N10_24 C12_24 O13_24 53.6(17) . . . . ?
C9_24 N10_24 C12_24 C16_24 -66.1(17) . . . . ?
N10_24 C12_24 O13_24 C14_24 -120.2(13) . . . . ?
N10_24 C12_24 C16_24 C15_24 96.1(12) . . . . ?
C11_24 N3_24 C4_24 O1_24 177.9(10) . . . . ?
C11_24 N3_24 C4_24 N5_24 1.1(13) . . . . ?
C11_24 C7_24 N8_24 C9_24 -2.0(14) . . . . ?
C11_24 N10_24 C12_24 O13_24 -123.8(13) . . . . ?
C11_24 N10_24 C12_24 C16_24 116.5(13) . . . . ?
C12_24 N10_24 C11_24 N3_24 -2.3(19) . . . . ?
C12_24 N10_24 C11_24 C7_24 178.6(12) . . . . ?
C12_24 O13_24 C14_24 C15_24 20.4(17) . . . . ?
C12_24 O13_24 C14_24 C17_24 146.0(13) . . . . ?
O13_24 C12_24 C16_24 C15_24 -25.8(15) . . . . ?
O13_24 C14_24 C15_24 C16_24 -35.5(15) . . . . ?
O13_24 C14_24 C15_24 O26_24^b -156.8(19) . . . . ?
O13_24 C14_24 C15_24 O26_24^a -153.0(14) . . . . ?
O13_24 C14_24 C17_24 O18_24 -70.8(17) . . . . ?
C14_24 C15_24 C16_24 C12_24 36.0(13) . . . . ?
C14_24 C15_24 O26_24^b Si27_24^b -163(2) . . . . ?
C14_24 C15_24 O26_24^a Si27_24^a -129.0(16) . . . . ?
C14_24 C17_24 O18_24 Si19_24 149.4(12) . . . . ?
C15_24 C14_24 C17_24 O18_24 48.0(17) . . . . ?
C15_24 O26_24^b Si27_24^b C28_24^b 43(3) . . . . ?
C15_24 O26_24^b Si27_24^b C29_24^b -74(3) . . . . ?
C15_24 O26_24^b Si27_24^b C30_24^b 164(3) . . . . ?
C15_24 O26_24^a Si27_24^a C28_24^a 113(2) . . . . ?
C15_24 O26_24^a Si27_24^a C29_24^a -4(2) . . . . ?
C15_24 O26_24^a Si27_24^a C30_24^a -125.5(18) . . . . ?
C16_24 C12_24 O13_24 C14_24 3.5(16) . . . . ?
C16_24 C15_24 O26_24^b Si27_24^b 83(3) . . . . ?
C16_24 C15_24 O26_24^a Si27_24^a 121.8(17) . . . . ?
C17_24 C14_24 C15_24 C16_24 -154.0(12) . . . . ?
C17_24 C14_24 C15_24 O26_24^b 85(2) . . . . ?
C17_24 C14_24 C15_24 O26_24^a 88.5(16) . . . . ?
C17_24 O18_24 Si19_24 C20_24 -148.5(15) . . . . ?
C17_24 O18_24 Si19_24 C21_24 -34.8(18) . . . . ?
C17_24 O18_24 Si19_24 C22_24 91.3(15) . . . . ?
O18_24 Si19_24 C22_24 C23_24 61.3(14) . . . . ?
O18_24 Si19_24 C22_24 C24_24 -179.1(17) . . . . ?
O18_24 Si19_24 C22_24 C25_24 -57.0(16) . . . . ?
C20_24 Si19_24 C22_24 C23_24 -53.5(15) . . . . ?
C20_24 Si19_24 C22_24 C24_24 66.1(18) . . . . ?
C20_24 Si19_24 C22_24 C25_24 -171.8(16) . . . . ?
C21_24 Si19_24 C22_24 C23_24 -171.4(15) . . . . ?
C21_24 Si19_24 C22_24 C24_24 -52(2) . . . . ?
C21_24 Si19_24 C22_24 C25_24 70.3(18) . . . . ?
O26_24^b C15_24 C16_24 C12_24 157.9(16) . . . . ?
O26_24^b Si27_24^b C30_24^b C31_24^b 16(3) . . . . ?
O26_24^b Si27_24^b C30_24^b C32_24^b 136(3) . . . . ?
O26_24^b Si27_24^b C30_24^b C33_24^b -105(3) . . . . ?
C28_24^b Si27_24^b C30_24^b C31_24^b 134(3) . . . . ?
C28_24^b Si27_24^b C30_24^b C32_24^b -106(3) . . . . ?
C28_24^b Si27_24^b C30_24^b C33_24^b 13(3) . . . . ?
C29_24^b Si27_24^b C30_24^b C31_24^b -105(3) . . . . ?
C29_24^b Si27_24^b C30_24^b C32_24^b 14(3) . . . . ?
C29_24^b Si27_24^b C30_24^b C33_24^b 133(3) . . . . ?
O26_24^a C15_24 C16_24 C12_24 149.4(13) . . . . ?
O26_24^a Si27_24^a C30_24^a C31_24^a -48.1(19) . . . . ?
O26_24^a Si27_24^a C30_24^a C32_24^a 72(2) . . . . ?
O26_24^a Si27_24^a C30_24^a C33_24^a -170(2) . . . . ?
C28_24^a Si27_24^a C30_24^a C31_24^a 71(2) . . . . ?
C28_24^a Si27_24^a C30_24^a C32_24^a -169(2) . . . . ?
C28_24^a Si27_24^a C30_24^a C33_24^a -51(2) . . . . ?
C29_24^a Si27_24^a C30_24^a C31_24^a -167(2) . . . . ?
C29_24^a Si27_24^a C30_24^a C32_24^a -46(2) . . . . ?
C29_24^a Si27_24^a C30_24^a C33_24^a 72(2) . . . . ?
O1_25 C4_25 N5_25 C6_25 -177.7(9) . . . . ?
N2_25 C6_25 C7_25 N8_25 2.0(18) . . . . ?
N2_25 C6_25 C7_25 C11_25 179.8(9) . . . . ?
N3_25 C4_25 N5_25 C6_25 0.1(15) . . . . ?
C4_25 N3_25 C11_25 C7_25 -2.5(16) . . . . ?
C4_25 N3_25 C11_25 N10_25 178.0(10) . . . . ?
C4_25 N5_25 C6_25 N2_25 179.6(9) . . . . ?
C4_25 N5_25 C6_25 C7_25 -1.4(14) . . . . ?
N5_25 C6_25 C7_25 N8_25 -176.9(10) . . . . ?
N5_25 C6_25 C7_25 C11_25 0.9(13) . . . . ?
C6_25 C7_25 N8_25 C9_25 179.1(12) . . . . ?
C6_25 C7_25 C11_25 N3_25 1.2(17) . . . . ?
C6_25 C7_25 C11_25 N10_25 -179.3(9) . . . . ?
C7_25 N8_25 C9_25 N10_25 -0.9(15) . . . . ?
N8_25 C7_25 C11_25 N3_25 179.3(11) . . . . ?
N8_25 C7_25 C11_25 N10_25 -1.1(12) . . . . ?
N8_25 C9_25 N10_25 C11_25 0.2(15) . . . . ?
N8_25 C9_25 N10_25 C12_25 -179.3(11) . . . . ?
C9_25 N10_25 C11_25 N3_25 -179.9(11) . . . . ?
C9_25 N10_25 C11_25 C7_25 0.5(12) . . . . ?
C9_25 N10_25 C12_25 O13_25 55.2(16) . . . . ?
C9_25 N10_25 C12_25 C16_25 -61.4(15) . . . . ?
N10_25 C12_25 O13_25 C14_25 -120.9(9) . . . . ?
N10_25 C12_25 C16_25 C15_25 96.6(11) . . . . ?
C11_25 N3_25 C4_25 O1_25 179.4(10) . . . . ?
C11_25 N3_25 C4_25 N5_25 1.8(14) . . . . ?
C11_25 C7_25 N8_25 C9_25 1.2(13) . . . . ?
C11_25 N10_25 C12_25 O13_25 -124.2(11) . . . . ?
C11_25 N10_25 C12_25 C16_25 119.2(12) . . . . ?
C12_25 N10_25 C11_25 N3_25 -0.4(18) . . . . ?
C12_25 N10_25 C11_25 C7_25 -180.0(10) . . . . ?
C12_25 O13_25 C14_25 C15_25 22.4(11) . . . . ?
C12_25 O13_25 C14_25 C17_25 145.6(9) . . . . ?
O13_25 C12_25 C16_25 C15_25 -21.4(13) . . . . ?
O13_25 C14_25 C15_25 C16_25 -34.6(11) . . . . ?
O13_25 C14_25 C15_25 O26_25^a -167.3(11) . . . . ?
O13_25 C14_25 C15_25 O26_25^b -137.6(14) . . . . ?
O13_25 C14_25 C17_25 O18_25^a -63.4(16) . . . . ?
O13_25 C14_25 C17_25 O18_25^b -67.3(17) . . . . ?
C14_25 C15_25 C16_25 C12_25 33.3(12) . . . . ?
C14_25 C15_25 O26_25^a Si27_25^a -149.9(13) . . . . ?
C14_25 C15_25 O26_25^b Si27_25^b -173.6(18) . . . . ?
C14_25 C17_25 O18_25^a Si19_25^a 149.3(14) . . . . ?
C14_25 C17_25 O18_25^b Si19_25^b -143(2) . . . . ?
C15_25 C14_25 C17_25 O18_25^a 54.3(15) . . . . ?
C15_25 C14_25 C17_25 O18_25^b 50.4(17) . . . . ?
C15_25 O26_25^a Si27_25^a C28_25^a -135.7(18) . . . . ?
C15_25 O26_25^a Si27_25^a C29_25^a -20(2) . . . . ?
C15_25 O26_25^a Si27_25^a C30_25^a 105.5(16) . . . . ?
C15_25 O26_25^b Si27_25^b C28_25^b -69(3) . . . . ?
C15_25 O26_25^b Si27_25^b C29_25^b 171(2) . . . . ?
C15_25 O26_25^b Si27_25^b C30_25^b 56(2) . . . . ?
C16_25 C12_25 O13_25 C14_25 -0.7(12) . . . . ?
C16_25 C15_25 O26_25^a Si27_25^a 87.4(19) . . . . ?
C16_25 C15_25 O26_25^b Si27_25^b 83(2) . . . . ?
C17_25 C14_25 C15_25 C16_25 -153.9(9) . . . . ?
C17_25 C14_25 C15_25 O26_25^a 73.4(14) . . . . ?
C17_25 C14_25 C15_25 O26_25^b 103.0(14) . . . . ?
C17_25 O18_25^a Si19_25^a C20_25^a -136.5(18) . . . . ?
C17_25 O18_25^a Si19_25^a C21_25^a -22(2) . . . . ?
C17_25 O18_25^a Si19_25^a C22_25^a 103.8(18) . . . . ?
C17_25 O18_25^b Si19_25^b C20_25^b 8(3) . . . . ?
C17_25 O18_25^b Si19_25^b C21_25^b 131(3) . . . . ?
C17_25 O18_25^b Si19_25^b C22_25^b -111(3) . . . . ?
O18_25^a Si19_25^a C22_25^a C23_25^a 66.5(16) . . . . ?
O18_25^a Si19_25^a C22_25^a C24_25^a -173.2(15) . . . . ?
O18_25^a Si19_25^a C22_25^a C25_25^a -54.5(16) . . . . ?
C20_25^a Si19_25^a C22_25^a C23_25^a -50.5(18) . . . . ?
C20_25^a Si19_25^a C22_25^a C24_25^a 69.8(17) . . . . ?
C20_25^a Si19_25^a C22_25^a C25_25^a -171.6(16) . . . . ?
C21_25^a Si19_25^a C22_25^a C23_25^a -168.8(15) . . . . ?
C21_25^a Si19_25^a C22_25^a C24_25^a -48.5(17) . . . . ?
C21_25^a Si19_25^a C22_25^a C25_25^a 70.2(16) . . . . ?
O18_25^b Si19_25^b C22_25^b C23_25^b 54.8(18) . . . . ?
O18_25^b Si19_25^b C22_25^b C24_25^b 171.7(19) . . . . ?
O18_25^b Si19_25^b C22_25^b C25_25^b -65(2) . . . . ?
C20_25^b Si19_25^b C22_25^b C23_25^b -64(2) . . . . ?
C20_25^b Si19_25^b C22_25^b C24_25^b 53(2) . . . . ?
C20_25^b Si19_25^b C22_25^b C25_25^b 176(2) . . . . ?
C21_25^b Si19_25^b C22_25^b C23_25^b 171(2) . . . . ?
C21_25^b Si19_25^b C22_25^b C24_25^b -72(2) . . . . ?
C21_25^b Si19_25^b C22_25^b C25_25^b 51(2) . . . . ?
O26_25^a C15_25 C16_25 C12_25 162.6(12) . . . . ?
O26_25^a Si27_25^a C30_25^a C31_25^a 42.5(17) . . . . ?
O26_25^a Si27_25^a C30_25^a C32_25^a -76.9(17) . . . . ?
O26_25^a Si27_25^a C30_25^a C33_25^a 165.3(15) . . . . ?
C28_25^a Si27_25^a C30_25^a C31_25^a -75.3(19) . . . . ?
C28_25^a Si27_25^a C30_25^a C32_25^a 165.3(19) . . . . ?
C28_25^a Si27_25^a C30_25^a C33_25^a 47.5(19) . . . . ?
C29_25^a Si27_25^a C30_25^a C31_25^a 167.9(19) . . . . ?
C29_25^a Si27_25^a C30_25^a C32_25^a 49(2) . . . . ?
C29_25^a Si27_25^a C30_25^a C33_25^a -69.3(19) . . . . ?
O26_25^b C15_25 C16_25 C12_25 135.4(12) . . . . ?
O26_25^b Si27_25^b C30_25^b C31_25^b -77(2) . . . . ?
O26_25^b Si27_25^b C30_25^b C32_25^b 41.6(19) . . . . ?
O26_25^b Si27_25^b C30_25^b C33_25^b 159(2) . . . . ?
C28_25^b Si27_25^b C30_25^b C31_25^b 48(2) . . . . ?
C28_25^b Si27_25^b C30_25^b C32_25^b 165.9(19) . . . . ?
C28_25^b Si27_25^b C30_25^b C33_25^b -77(2) . . . . ?
C29_25^b Si27_25^b C30_25^b C31_25^b 170(2) . . . . ?
C29_25^b Si27_25^b C30_25^b C32_25^b -72(2) . . . . ?
C29_25^b Si27_25^b C30_25^b C33_25^b 45(2) . . . . ?
O1_26 C4_26 N5_26 C6_26 178.7(10) . . . . ?
N2_26 C6_26 C7_26 N8_26 0(2) . . . . ?
N2_26 C6_26 C7_26 C11_26 178.4(11) . . . . ?
N3_26 C4_26 N5_26 C6_26 -0.3(16) . . . . ?
C4_26 N3_26 C11_26 C7_26 1.5(16) . . . . ?
C4_26 N3_26 C11_26 N10_26 179.4(10) . . . . ?
C4_26 N5_26 C6_26 N2_26 -178.4(10) . . . . ?
C4_26 N5_26 C6_26 C7_26 2.5(16) . . . . ?
N5_26 C6_26 C7_26 N8_26 178.9(12) . . . . ?
N5_26 C6_26 C7_26 C11_26 -2.7(16) . . . . ?
C6_26 C7_26 N8_26 C9_26 176.4(13) . . . . ?
C6_26 C7_26 C11_26 N3_26 0.8(18) . . . . ?
C6_26 C7_26 C11_26 N10_26 -177.4(10) . . . . ?
C7_26 N8_26 C9_26 N10_26 2.2(15) . . . . ?
N8_26 C7_26 C11_26 N3_26 179.4(11) . . . . ?
N8_26 C7_26 C11_26 N10_26 1.2(13) . . . . ?
N8_26 C9_26 N10_26 C11_26 -1.6(15) . . . . ?
N8_26 C9_26 N10_26 C12_26 -170.5(11) . . . . ?
C9_26 N10_26 C11_26 N3_26 -178.2(11) . . . . ?
C9_26 N10_26 C11_26 C7_26 0.1(12) . . . . ?
C9_26 N10_26 C12_26 O13_26 103.8(13) . . . . ?
C9_26 N10_26 C12_26 C16_26 -12.7(15) . . . . ?
N10_26 C12_26 O13_26 C14_26 -91.7(10) . . . . ?
N10_26 C12_26 C16_26 C15_26 84.6(11) . . . . ?
C11_26 N3_26 C4_26 O1_26 179.4(10) . . . . ?
C11_26 N3_26 C4_26 N5_26 -1.7(14) . . . . ?
C11_26 C7_26 N8_26 C9_26 -2.1(15) . . . . ?
C11_26 N10_26 C12_26 O13_26 -63.0(12) . . . . ?
C11_26 N10_26 C12_26 C16_26 -179.6(9) . . . . ?
C12_26 N10_26 C11_26 N3_26 -8.7(16) . . . . ?
C12_26 N10_26 C11_26 C7_26 169.7(10) . . . . ?
C12_26 O13_26 C14_26 C15_26 -14.7(12) . . . . ?
C12_26 O13_26 C14_26 C17_26 107.6(11) . . . . ?
O13_26 C12_26 C16_26 C15_26 -34.1(12) . . . . ?
O13_26 C14_26 C15_26 C16_26 -7.5(13) . . . . ?
O13_26 C14_26 C15_26 O26_26 -128.2(11) . . . . ?
O13_26 C14_26 C17_26 O18_26 70.2(16) . . . . ?
C14_26 C15_26 C16_26 C12_26 24.8(12) . . . . ?
C14_26 C15_26 O26_26 Si27_26 -149.0(9) . . . . ?
C14_26 C17_26 O18_26 Si19_26 -131.3(13) . . . . ?
C15_26 C14_26 C17_26 O18_26 -170.9(12) . . . . ?
C15_26 O26_26 Si27_26 C28_26 -55.0(14) . . . . ?
C15_26 O26_26 Si27_26 C29_26 61.5(13) . . . . ?
C15_26 O26_26 Si27_26 C30_26 -176.2(10) . . . . ?
C16_26 C12_26 O13_26 C14_26 30.8(11) . . . . ?
C16_26 C15_26 O26_26 Si27_26 94.6(12) . . . . ?
C17_26 C14_26 C15_26 C16_26 -127.9(12) . . . . ?
C17_26 C14_26 C15_26 O26_26 111.4(13) . . . . ?
C17_26 O18_26 Si19_26 C20_26 -3.6(18) . . . . ?
C17_26 O18_26 Si19_26 C21_26 111.7(17) . . . . ?
C17_26 O18_26 Si19_26 C22_26 -131.1(15) . . . . ?
O18_26 Si19_26 C22_26 C23_26 67.5(15) . . . . ?
O18_26 Si19_26 C22_26 C24_26 -52.7(15) . . . . ?
O18_26 Si19_26 C22_26 C25_26 -170.1(15) . . . . ?
C20_26 Si19_26 C22_26 C23_26 -59.7(16) . . . . ?
C20_26 Si19_26 C22_26 C24_26 -179.9(15) . . . . ?
C20_26 Si19_26 C22_26 C25_26 62.8(17) . . . . ?
C21_26 Si19_26 C22_26 C23_26 -177.4(15) . . . . ?
C21_26 Si19_26 C22_26 C24_26 62.4(16) . . . . ?
C21_26 Si19_26 C22_26 C25_26 -55.0(17) . . . . ?
O26_26 C15_26 C16_26 C12_26 145.1(10) . . . . ?
O26_26 Si27_26 C30_26 C31_26 58.7(16) . . . . ?
O26_26 Si27_26 C30_26 C32_26 -64.6(18) . . . . ?
O26_26 Si27_26 C30_26 C33_26 176.9(15) . . . . ?
C28_26 Si27_26 C30_26 C31_26 -59.9(19) . . . . ?
C28_26 Si27_26 C30_26 C32_26 176.8(19) . . . . ?
C28_26 Si27_26 C30_26 C33_26 58.3(19) . . . . ?
C29_26 Si27_26 C30_26 C31_26 179.6(17) . . . . ?
C29_26 Si27_26 C30_26 C32_26 56(2) . . . . ?
C29_26 Si27_26 C30_26 C33_26 -62.2(18) . . . . ?
O1_27 C4_27 N5_27 C6_27 175.8(12) . . . . ?
N2_27 C6_27 C7_27 N8_27 5(3) . . . . ?
N2_27 C6_27 C7_27 C11_27 -178.6(15) . . . . ?
N3_27 C4_27 N5_27 C6_27 -2.9(17) . . . . ?
C4_27 N3_27 C11_27 C7_27 1.7(18) . . . . ?
C4_27 N3_27 C11_27 N10_27 179.9(11) . . . . ?
C4_27 N5_27 C6_27 N2_27 179.6(13) . . . . ?
C4_27 N5_27 C6_27 C7_27 7(2) . . . . ?
N5_27 C6_27 C7_27 N8_27 177(2) . . . . ?
N5_27 C6_27 C7_27 C11_27 -7(2) . . . . ?
C6_27 C7_27 N8_27 C9_27 174(2) . . . . ?
C6_27 C7_27 C11_27 N3_27 3(2) . . . . ?
C6_27 C7_27 C11_27 N10_27 -175.6(14) . . . . ?
C7_27 N8_27 C9_27 N10_27 2(3) . . . . ?
N8_27 C7_27 C11_27 N3_27 179.7(16) . . . . ?
N8_27 C7_27 C11_27 N10_27 1(2) . . . . ?
N8_27 C9_27 N10_27 C11_27 -2(3) . . . . ?
N8_27 C9_27 N10_27 C12_27 179(2) . . . . ?
C9_27 N10_27 C11_27 N3_27 -178.4(16) . . . . ?
C9_27 N10_27 C11_27 C7_27 0.1(19) . . . . ?
C9_27 N10_27 C12_27 O13_27 107(2) . . . . ?
C9_27 N10_27 C12_27 C16_27 -13(2) . . . . ?
N10_27 C12_27 O13_27 C14_27^a -124.2(15) . . . . ?
N10_27 C12_27 O13_27 C14_27^b -97.4(12) . . . . ?
N10_27 C12_27 C16_27 C15_27 92.7(12) . . . . ?
C11_27 N3_27 C4_27 O1_27 179.7(10) . . . . ?
C11_27 N3_27 C4_27 N5_27 -1.7(14) . . . . ?
C11_27 C7_27 N8_27 C9_27 -2(3) . . . . ?
C11_27 N10_27 C12_27 O13_27 -72.2(15) . . . . ?
C11_27 N10_27 C12_27 C16_27 167.7(11) . . . . ?
C12_27 N10_27 C11_27 N3_27 1.4(19) . . . . ?
C12_27 N10_27 C11_27 C7_27 179.8(13) . . . . ?
C12_27 O13_27 C14_27^a C15_27 31(2) . . . . ?
C12_27 O13_27 C14_27^a C17_27^a 153.6(16) . . . . ?
C12_27 O13_27 C14_27^b C15_27 -10.9(17) . . . . ?
C12_27 O13_27 C14_27^b C17_27^b 116.2(14) . . . . ?
O13_27 C12_27 C16_27 C15_27 -29.3(13) . . . . ?
O13_27 C14_27^a C15_27 C16_27 -46.9(18) . . . . ?
O13_27 C14_27^a C15_27 O26_27 -161.6(16) . . . . ?
O13_27 C14_27^a C17_27^a O18_27^a 71(3) . . . . ?
O13_27 C14_27^b C15_27 C16_27 -8.5(17) . . . . ?
O13_27 C14_27^b C15_27 O26_27 -136.4(14) . . . . ?
O13_27 C14_27^b C17_27^b O18_27^b -71(2) . . . . ?
C14_27^a C15_27 C16_27 C12_27 44.3(13) . . . . ?
C14_27^a C15_27 O26_27 Si27_27 -139.8(14) . . . . ?
C14_27^a C17_27^a O18_27^a Si19_27^a 138(3) . . . . ?
C14_27^b C15_27 C16_27 C12_27 22.3(15) . . . . ?
C14_27^b C15_27 O26_27 Si27_27 -117.9(14) . . . . ?
C14_27^b C17_27^b O18_27^b Si19_27^b -163(2) . . . . ?
C15_27 C14_27^a C17_27^a O18_27^a -172(3) . . . . ?
C15_27 C14_27^b C17_27^b O18_27^b 51(3) . . . . ?
C15_27 O26_27 Si27_27 C28_27 -60.9(15) . . . . ?
C15_27 O26_27 Si27_27 C29_27 60.3(15) . . . . ?
C15_27 O26_27 Si27_27 C30_27 -177.4(11) . . . . ?
C16_27 C12_27 O13_27 C14_27^a -0.8(17) . . . . ?
C16_27 C12_27 O13_27 C14_27^b 26.0(15) . . . . ?
C16_27 C15_27 O26_27 Si27_27 116.4(13) . . . . ?
C17_27^a C14_27^a C15_27 C16_27 -167(2) . . . . ?
C17_27^a C14_27^a C15_27 O26_27 78(2) . . . . ?
C17_27^a O18_27^a Si19_27^a C20_27^a 125(4) . . . . ?
C17_27^a O18_27^a Si19_27^a C21_27^a -114(4) . . . . ?
C17_27^a O18_27^a Si19_27^a C22_27^a 5(4) . . . . ?
O18_27^a Si19_27^a C22_27^a C23_27^a 49(3) . . . . ?
O18_27^a Si19_27^a C22_27^a C24_27^a 168(3) . . . . ?
O18_27^a Si19_27^a C22_27^a C25_27^a -73(3) . . . . ?
C20_27^a Si19_27^a C22_27^a C23_27^a -71(3) . . . . ?
C20_27^a Si19_27^a C22_27^a C24_27^a 48(3) . . . . ?
C20_27^a Si19_27^a C22_27^a C25_27^a 167(3) . . . . ?
C21_27^a Si19_27^a C22_27^a C23_27^a 169(3) . . . . ?
C21_27^a Si19_27^a C22_27^a C24_27^a -72(4) . . . . ?
C21_27^a Si19_27^a C22_27^a C25_27^a 47(3) . . . . ?
C17_27^b C14_27^b C15_27 C16_27 -134.0(15) . . . . ?
C17_27^b C14_27^b C15_27 O26_27 98.2(19) . . . . ?
C17_27^b O18_27^b Si19_27^b C20_27^b 15(4) . . . . ?
C17_27^b O18_27^b Si19_27^b C21_27^b 135(3) . . . . ?
C17_27^b O18_27^b Si19_27^b C22_27^b -106(3) . . . . ?
O18_27^b Si19_27^b C22_27^b C23_27^b 16(2) . . . . ?
O18_27^b Si19_27^b C22_27^b C24_27^b 132(2) . . . . ?
O18_27^b Si19_27^b C22_27^b C25_27^b -103(2) . . . . ?
C20_27^b Si19_27^b C22_27^b C23_27^b -104(2) . . . . ?
C20_27^b Si19_27^b C22_27^b C24_27^b 12(3) . . . . ?
C20_27^b Si19_27^b C22_27^b C25_27^b 137(3) . . . . ?
C21_27^b Si19_27^b C22_27^b C23_27^b 131(2) . . . . ?
C21_27^b Si19_27^b C22_27^b C24_27^b -113(3) . . . . ?
C21_27^b Si19_27^b C22_27^b C25_27^b 12(3) . . . . ?
O26_27 C15_27 C16_27 C12_27 154.4(10) . . . . ?
O26_27 Si27_27 C30_27 C31_27 55.7(14) . . . . ?
O26_27 Si27_27 C30_27 C32_27 -61.4(13) . . . . ?
O26_27 Si27_27 C30_27 C33_27 178.0(12) . . . . ?
C28_27 Si27_27 C30_27 C31_27 -57.7(15) . . . . ?
C28_27 Si27_27 C30_27 C32_27 -174.8(13) . . . . ?
C28_27 Si27_27 C30_27 C33_27 64.6(15) . . . . ?
C29_27 Si27_27 C30_27 C31_27 176.7(16) . . . . ?
C29_27 Si27_27 C30_27 C32_27 59.5(16) . . . . ?
C29_27 Si27_27 C30_27 C33_27 -61.0(16) . . . . ?
O1_28 C4_28 N5_28 C6_28 174.9(8) . . . . ?
N2_28 C6_28 C7_28 N8_28 0.5(18) . . . . ?
N2_28 C6_28 C7_28 C11_28 -176.2(10) . . . . ?
N3_28 C4_28 N5_28 C6_28 -6.5(14) . . . . ?
C4_28 N3_28 C11_28 C7_28 -1.2(14) . . . . ?
C4_28 N3_28 C11_28 N10_28 -178.9(9) . . . . ?
C4_28 N5_28 C6_28 N2_28 -179.6(9) . . . . ?
C4_28 N5_28 C6_28 C7_28 2.7(13) . . . . ?
N5_28 C6_28 C7_28 N8_28 178.1(10) . . . . ?
N5_28 C6_28 C7_28 C11_28 1.3(13) . . . . ?
C6_28 C7_28 N8_28 C9_28 -175.4(11) . . . . ?
C6_28 C7_28 C11_28 N3_28 -2.2(15) . . . . ?
C6_28 C7_28 C11_28 N10_28 175.8(8) . . . . ?
C7_28 N8_28 C9_28 N10_28 -1.0(12) . . . . ?
N8_28 C7_28 C11_28 N3_28 -179.6(9) . . . . ?
N8_28 C7_28 C11_28 N10_28 -1.6(11) . . . . ?
N8_28 C9_28 N10_28 C11_28 0.1(12) . . . . ?
N8_28 C9_28 N10_28 C12_28 171.0(9) . . . . ?
C9_28 N10_28 C11_28 N3_28 179.0(9) . . . . ?
C9_28 N10_28 C11_28 C7_28 0.9(10) . . . . ?
C9_28 N10_28 C12_28 O13_28 115.8(10) . . . . ?
C9_28 N10_28 C12_28 C16_28 -2.7(13) . . . . ?
N10_28 C12_28 O13_28 C14_28 -111.6(9) . . . . ?
N10_28 C12_28 C16_28 C15_28 89.6(10) . . . . ?
C11_28 N3_28 C4_28 O1_28 -176.2(9) . . . . ?
C11_28 N3_28 C4_28 N5_28 5.3(13) . . . . ?
C11_28 C7_28 N8_28 C9_28 1.6(12) . . . . ?
C11_28 N10_28 C12_28 O13_28 -75.0(11) . . . . ?
C11_28 N10_28 C12_28 C16_28 166.5(8) . . . . ?
C12_28 N10_28 C11_28 N3_28 7.6(14) . . . . ?
C12_28 N10_28 C11_28 C7_28 -170.5(8) . . . . ?
C12_28 O13_28 C14_28 C15_28 15.8(12) . . . . ?
C12_28 O13_28 C14_28 C17_28 143.8(9) . . . . ?
O13_28 C12_28 C16_28 C15_28 -32.0(11) . . . . ?
O13_28 C14_28 C15_28 C16_28 -34.7(11) . . . . ?
O13_28 C14_28 C15_28 O26_28 -155.7(10) . . . . ?
O13_28 C14_28 C17_28 O18_28 -71.4(15) . . . . ?
C14_28 C15_28 C16_28 C12_28 39.2(11) . . . . ?
C14_28 C15_28 O26_28 Si27_28 -149.2(10) . . . . ?
C14_28 C17_28 O18_28 Si19_28 150.0(11) . . . . ?
C15_28 C14_28 C17_28 O18_28 51.2(16) . . . . ?
C15_28 O26_28 Si27_28 C28_28 -31.4(15) . . . . ?
C15_28 O26_28 Si27_28 C29_28 -151.6(15) . . . . ?
C15_28 O26_28 Si27_28 C30_28 87.1(13) . . . . ?
C16_28 C12_28 O13_28 C14_28 10.5(11) . . . . ?
C16_28 C15_28 O26_28 Si27_28 97.6(13) . . . . ?
C17_28 C14_28 C15_28 C16_28 -159.0(10) . . . . ?
C17_28 C14_28 C15_28 O26_28 80.0(14) . . . . ?
C17_28 O18_28 Si19_28 C20_28 31.1(16) . . . . ?
C17_28 O18_28 Si19_28 C21_28 146.9(15) . . . . ?
C17_28 O18_28 Si19_28 C22_28 -91.9(14) . . . . ?
O18_28 Si19_28 C22_28 C23_28 50.6(13) . . . . ?
O18_28 Si19_28 C22_28 C24_28 171.0(13) . . . . ?
O18_28 Si19_28 C22_28 C25_28 -71.2(13) . . . . ?
C20_28 Si19_28 C22_28 C23_28 -71.5(14) . . . . ?
C20_28 Si19_28 C22_28 C24_28 48.9(15) . . . . ?
C20_28 Si19_28 C22_28 C25_28 166.6(13) . . . . ?
C21_28 Si19_28 C22_28 C23_28 168.3(13) . . . . ?
C21_28 Si19_28 C22_28 C24_28 -71.3(16) . . . . ?
C21_28 Si19_28 C22_28 C25_28 46.5(15) . . . . ?
O26_28 C15_28 C16_28 C12_28 161.6(10) . . . . ?
O26_28 Si27_28 C30_28 C31_28 -70.6(16) . . . . ?
O26_28 Si27_28 C30_28 C32_28 51.0(17) . . . . ?
O26_28 Si27_28 C30_28 C33_28 171.6(15) . . . . ?
C28_28 Si27_28 C30_28 C31_28 47.5(17) . . . . ?
C28_28 Si27_28 C30_28 C32_28 169.1(16) . . . . ?
C28_28 Si27_28 C30_28 C33_28 -70.3(17) . . . . ?
C29_28 Si27_28 C30_28 C31_28 170.3(18) . . . . ?
C29_28 Si27_28 C30_28 C32_28 -68(2) . . . . ?
C29_28 Si27_28 C30_28 C33_28 52.4(19) . . . . ?
O1_29 C4_29 N5_29 C6_29 176.9(10) . . . . ?
N2_29 C6_29 C7_29 N8_29 -4.2(19) . . . . ?
N2_29 C6_29 C7_29 C11_29 179.2(10) . . . . ?
N3_29 C4_29 N5_29 C6_29 -1.2(16) . . . . ?
C4_29 N3_29 C11_29 C7_29 -1.4(17) . . . . ?
C4_29 N3_29 C11_29 N10_29 -177.6(10) . . . . ?
C4_29 N5_29 C6_29 N2_29 -178.8(9) . . . . ?
C4_29 N5_29 C6_29 C7_29 -0.1(15) . . . . ?
N5_29 C6_29 C7_29 N8_29 177.2(11) . . . . ?
N5_29 C6_29 C7_29 C11_29 0.6(14) . . . . ?
C6_29 C7_29 N8_29 C9_29 -176.1(12) . . . . ?
C6_29 C7_29 C11_29 N3_29 0.1(18) . . . . ?
C6_29 C7_29 C11_29 N10_29 176.9(9) . . . . ?
C7_29 N8_29 C9_29 N10_29 -0.6(14) . . . . ?
N8_29 C7_29 C11_29 N3_29 -177.2(11) . . . . ?
N8_29 C7_29 C11_29 N10_29 -0.4(13) . . . . ?
N8_29 C9_29 N10_29 C11_29 0.3(14) . . . . ?
N8_29 C9_29 N10_29 C12_29 177.7(11) . . . . ?
C9_29 N10_29 C11_29 N3_29 177.0(11) . . . . ?
C9_29 N10_29 C11_29 C7_29 0.1(12) . . . . ?
C9_29 N10_29 C12_29 O13_29 119.7(12) . . . . ?
C9_29 N10_29 C12_29 C16_29 2.8(17) . . . . ?
N10_29 C12_29 O13_29 C14_29 -101.4(9) . . . . ?
N10_29 C12_29 C16_29 C15_29 81.7(11) . . . . ?
C11_29 N3_29 C4_29 O1_29 -176.3(11) . . . . ?
C11_29 N3_29 C4_29 N5_29 1.8(15) . . . . ?
C11_29 C7_29 N8_29 C9_29 0.6(13) . . . . ?
C11_29 N10_29 C12_29 O13_29 -63.5(13) . . . . ?
C11_29 N10_29 C12_29 C16_29 179.6(10) . . . . ?
C12_29 N10_29 C11_29 N3_29 -0.5(17) . . . . ?
C12_29 N10_29 C11_29 C7_29 -177.4(10) . . . . ?
C12_29 O13_29 C14_29 C15_29 5.2(12) . . . . ?
C12_29 O13_29 C14_29 C17_29 129.8(10) . . . . ?
O13_29 C12_29 C16_29 C15_29 -37.9(11) . . . . ?
O13_29 C14_29 C15_29 C16_29 -28.5(11) . . . . ?
O13_29 C14_29 C15_29 O26_29 -145.3(10) . . . . ?
O13_29 C14_29 C17_29 O18_29 -66.0(13) . . . . ?
C14_29 C15_29 C16_29 C12_29 39.4(10) . . . . ?
C14_29 C15_29 O26_29 Si27_29 -132.8(10) . . . . ?
C14_29 C17_29 O18_29 Si19_29 146.0(10) . . . . ?
C15_29 C14_29 C17_29 O18_29 54.2(13) . . . . ?
C15_29 O26_29 Si27_29 C28_29 -73.4(14) . . . . ?
C15_29 O26_29 Si27_29 C29_29 47.6(14) . . . . ?
C15_29 O26_29 Si27_29 C30_29 165.2(11) . . . . ?
C16_29 C12_29 O13_29 C14_29 21.0(12) . . . . ?
C16_29 C15_29 O26_29 Si27_29 117.0(11) . . . . ?
C17_29 C14_29 C15_29 C16_29 -150.5(9) . . . . ?
C17_29 C14_29 C15_29 O26_29 92.7(12) . . . . ?
C17_29 O18_29 Si19_29 C20_29 -92.3(13) . . . . ?
C17_29 O18_29 Si19_29 C21_29 26.3(15) . . . . ?
C17_29 O18_29 Si19_29 C22_29 150.2(11) . . . . ?
O18_29 Si19_29 C22_29 C23_29 49.1(15) . . . . ?
O18_29 Si19_29 C22_29 C24_29 169.5(14) . . . . ?
O18_29 Si19_29 C22_29 C25_29 -73.3(14) . . . . ?
C20_29 Si19_29 C22_29 C23_29 -66.0(16) . . . . ?
C20_29 Si19_29 C22_29 C24_29 54.4(16) . . . . ?
C20_29 Si19_29 C22_29 C25_29 171.6(14) . . . . ?
C21_29 Si19_29 C22_29 C23_29 170.4(15) . . . . ?
C21_29 Si19_29 C22_29 C24_29 -69.2(16) . . . . ?
C21_29 Si19_29 C22_29 C25_29 48.0(16) . . . . ?
O26_29 C15_29 C16_29 C12_29 155.5(9) . . . . ?
O26_29 Si27_29 C30_29 C31_29 50.8(15) . . . . ?
O26_29 Si27_29 C30_29 C32_29 -69.4(16) . . . . ?
O26_29 Si27_29 C30_29 C33_29 173.2(15) . . . . ?
C28_29 Si27_29 C30_29 C31_29 -65.5(17) . . . . ?
C28_29 Si27_29 C30_29 C32_29 174.3(16) . . . . ?
C28_29 Si27_29 C30_29 C33_29 56.9(17) . . . . ?
C29_29 Si27_29 C30_29 C31_29 170.1(16) . . . . ?
C29_29 Si27_29 C30_29 C32_29 50.0(18) . . . . ?
C29_29 Si27_29 C30_29 C33_29 -67.5(18) . . . . ?
O1_30 C4_30 N5_30 C6_30 178.2(11) . . . . ?
N2_30 C6_30 C7_30 N8_30 -5(3) . . . . ?
N2_30 C6_30 C7_30 C11_30 176.4(14) . . . . ?
N3_30 C4_30 N5_30 C6_30 -1.4(18) . . . . ?
C4_30 N3_30 C11_30 C7_30 -1(2) . . . . ?
C4_30 N3_30 C11_30 N10_30 -177.9(12) . . . . ?
C4_30 N5_30 C6_30 N2_30 -176.7(11) . . . . ?
C4_30 N5_30 C6_30 C7_30 1.9(18) . . . . ?
N5_30 C6_30 C7_30 N8_30 176.3(15) . . . . ?
N5_30 C6_30 C7_30 C11_30 -2.0(19) . . . . ?
C6_30 C7_30 N8_30 C9_30 -179.1(18) . . . . ?
C6_30 C7_30 C11_30 N3_30 2(2) . . . . ?
C6_30 C7_30 C11_30 N10_30 179.0(12) . . . . ?
C7_30 N8_30 C9_30 N10_30 1(3) . . . . ?
N8_30 C7_30 C11_30 N3_30 -176.5(15) . . . . ?
N8_30 C7_30 C11_30 N10_30 0.4(18) . . . . ?
N8_30 C9_30 N10_30 C11_30 -1(3) . . . . ?
N8_30 C9_30 N10_30 C12_30 175.3(17) . . . . ?
C9_30 N10_30 C11_30 N3_30 177.4(16) . . . . ?
C9_30 N10_30 C11_30 C7_30 0.2(18) . . . . ?
C9_30 N10_30 C12_30 O13_30 118.6(19) . . . . ?
C9_30 N10_30 C12_30 C16_30 -1(2) . . . . ?
N10_30 C12_30 O13_30 C14_30 -111.2(11) . . . . ?
N10_30 C12_30 C16_30 C15_30 88.7(13) . . . . ?
C11_30 N3_30 C4_30 O1_30 -178.6(11) . . . . ?
C11_30 N3_30 C4_30 N5_30 0.9(16) . . . . ?
C11_30 C7_30 N8_30 C9_30 -1(2) . . . . ?
C11_30 N10_30 C12_30 O13_30 -66.3(16) . . . . ?
C11_30 N10_30 C12_30 C16_30 174.3(13) . . . . ?
C12_30 N10_30 C11_30 N3_30 1(2) . . . . ?
C12_30 N10_30 C11_30 C7_30 -176.0(13) . . . . ?
C12_30 O13_30 C14_30 C15_30 13.7(14) . . . . ?
C12_30 O13_30 C14_30 C17_30 141.7(11) . . . . ?
O13_30 C12_30 C16_30 C15_30 -31.1(14) . . . . ?
O13_30 C14_30 C15_30 C16_30 -32.5(13) . . . . ?
O13_30 C14_30 C15_30 O26_30^a -160.8(13) . . . . ?
O13_30 C14_30 C15_30 O26_30^b -142.7(15) . . . . ?
O13_30 C14_30 C17_30 O18_30 -70.9(15) . . . . ?
C14_30 C15_30 C16_30 C12_30 37.1(13) . . . . ?
C14_30 C15_30 O26_30^a Si27_30^a -126.1(15) . . . . ?
C14_30 C15_30 O26_30^b Si27_30^b -151.7(19) . . . . ?
C14_30 C17_30 O18_30 Si19_30 138.0(11) . . . . ?
C15_30 C14_30 C17_30 O18_30 50.9(16) . . . . ?
C15_30 O26_30^a Si27_30^a C28_30^a -56(2) . . . . ?
C15_30 O26_30^a Si27_30^a C29_30^a 64.3(19) . . . . ?
C15_30 O26_30^a Si27_30^a C30_30^a -176.7(15) . . . . ?
C15_30 O26_30^b Si27_30^b C28_30^b -14(3) . . . . ?
C15_30 O26_30^b Si27_30^b C29_30^b -136(2) . . . . ?
C15_30 O26_30^b Si27_30^b C30_30^b 104(2) . . . . ?
C16_30 C12_30 O13_30 C14_30 11.3(14) . . . . ?
C16_30 C15_30 O26_30^a Si27_30^a 116.1(16) . . . . ?
C16_30 C15_30 O26_30^b Si27_30^b 101(2) . . . . ?
C17_30 C14_30 C15_30 C16_30 -156.0(12) . . . . ?
C17_30 C14_30 C15_30 O26_30^a 75.7(17) . . . . ?
C17_30 C14_30 C15_30 O26_30^b 93.9(17) . . . . ?
C17_30 O18_30 Si19_30 C20_30 -82.7(15) . . . . ?
C17_30 O18_30 Si19_30 C21_30 38.2(16) . . . . ?
C17_30 O18_30 Si19_30 C22_30 158.1(13) . . . . ?
O18_30 Si19_30 C22_30 C23_30 48.8(15) . . . . ?
O18_30 Si19_30 C22_30 C24_30 169.8(14) . . . . ?
O18_30 Si19_30 C22_30 C25_30 -69.8(14) . . . . ?
C20_30 Si19_30 C22_30 C23_30 -69.8(16) . . . . ?
C20_30 Si19_30 C22_30 C24_30 51.2(16) . . . . ?
C20_30 Si19_30 C22_30 C25_30 171.6(14) . . . . ?
C21_30 Si19_30 C22_30 C23_30 169.8(16) . . . . ?
C21_30 Si19_30 C22_30 C24_30 -69.2(17) . . . . ?
C21_30 Si19_30 C22_30 C25_30 51.2(16) . . . . ?
O26_30^a C15_30 C16_30 C12_30 160.3(12) . . . . ?
O26_30^a Si27_30^a C30_30^a C31_30^a 60.0(17) . . . . ?
O26_30^a Si27_30^a C30_30^a C32_30^a -59.3(17) . . . . ?
O26_30^a Si27_30^a C30_30^a C33_30^a -177.6(16) . . . . ?
C28_30^a Si27_30^a C30_30^a C31_30^a -58.6(19) . . . . ?
C28_30^a Si27_30^a C30_30^a C32_30^a -177.9(18) . . . . ?
C28_30^a Si27_30^a C30_30^a C33_30^a 63.9(19) . . . . ?
C29_30^a Si27_30^a C30_30^a C31_30^a 178.8(16) . . . . ?
C29_30^a Si27_30^a C30_30^a C32_30^a 59.6(17) . . . . ?
C29_30^a Si27_30^a C30_30^a C33_30^a -58.7(18) . . . . ?
O26_30^b C15_30 C16_30 C12_30 150.7(12) . . . . ?
O26_30^b Si27_30^b C30_30^b C31_30^b -61.1(19) . . . . ?
O26_30^b Si27_30^b C30_30^b C32_30^b 55.1(19) . . . . ?
O26_30^b Si27_30^b C30_30^b C33_30^b 178(2) . . . . ?
C28_30^b Si27_30^b C30_30^b C31_30^b 54(2) . . . . ?
C28_30^b Si27_30^b C30_30^b C32_30^b 170(2) . . . . ?
C28_30^b Si27_30^b C30_30^b C33_30^b -67(2) . . . . ?
C29_30^b Si27_30^b C30_30^b C31_30^b 179(2) . . . . ?
C29_30^b Si27_30^b C30_30^b C32_30^b -65(2) . . . . ?
C29_30^b Si27_30^b C30_30^b C33_30^b 58(2) . . . . ?
B1_41 C2_41 C3_41 C4_41 -177(4) . . . . ?
B1_41 C2_41 C7_41 C6_41 179(3) . . . . ?
B1_41 C16_41 C17_41 C18_41 175.2(19) . . . . ?
B1_41 C16_41 C21_41 C20_41 -175(2) . . . . ?
B1_41 C30_41 C31_41 C32_41 179.5(17) . . . . ?
B1_41 C30_41 C35_41 C34_41 -178.1(17) . . . . ?
B1_41 C44_41 C45_41 C46_41 -176.6(19) . . . . ?
B1_41 C44_41 C49_41 C48_41 172.6(18) . . . . ?
C2_41 B1_41 C16_41 C17_41 -110(2) . . . . ?
C2_41 B1_41 C16_41 C21_41 71(2) . . . . ?
C2_41 B1_41 C30_41 C31_41 -126.1(17) . . . . ?
C2_41 B1_41 C30_41 C35_41 49(2) . . . . ?
C2_41 B1_41 C44_41 C45_41 -164.0(16) . . . . ?
C2_41 B1_41 C44_41 C49_41 25.5(19) . . . . ?
C2_41 C3_41 C4_41 C5_41 -8(8) . . . . ?
C2_41 C3_41 C4_41 C8_41 179(4) . . . . ?
C3_41 C2_41 C7_41 C6_41 3(5) . . . . ?
C3_41 C4_41 C5_41 C6_41 14(7) . . . . ?
C3_41 C4_41 C8_41 F9_41 63(5) . . . . ?
C3_41 C4_41 C8_41 F10_41 -58(5) . . . . ?
C3_41 C4_41 C8_41 F11_41 -174(5) . . . . ?
C4_41 C5_41 C6_41 C7_41 -11(6) . . . . ?
C4_41 C5_41 C6_41 C12_41 177(4) . . . . ?
C5_41 C4_41 C8_41 F9_41 -109(5) . . . . ?
C5_41 C4_41 C8_41 F10_41 130(5) . . . . ?
C5_41 C4_41 C8_41 F11_41 13(5) . . . . ?
C5_41 C6_41 C7_41 C2_41 3(5) . . . . ?
C5_41 C6_41 C12_41 F13_41 -89(4) . . . . ?
C5_41 C6_41 C12_41 F14_41 28(4) . . . . ?
C5_41 C6_41 C12_41 F15_41 150(3) . . . . ?
C7_41 C2_41 C3_41 C4_41 0(6) . . . . ?
C7_41 C6_41 C12_41 F13_41 99(3) . . . . ?
C7_41 C6_41 C12_41 F14_41 -144(3) . . . . ?
C7_41 C6_41 C12_41 F15_41 -22(3) . . . . ?
C8_41 C4_41 C5_41 C6_41 -174(4) . . . . ?
C12_41 C6_41 C7_41 C2_41 175(3) . . . . ?
C16_41 B1_41 C2_41 C3_41 160(3) . . . . ?
C16_41 B1_41 C2_41 C7_41 -16(3) . . . . ?
C16_41 B1_41 C30_41 C31_41 110.2(17) . . . . ?
C16_41 B1_41 C30_41 C35_41 -74.6(19) . . . . ?
C16_41 B1_41 C44_41 C45_41 -45.5(19) . . . . ?
C16_41 B1_41 C44_41 C49_41 144.0(16) . . . . ?
C16_41 C17_41 C18_41 C19_41 3(4) . . . . ?
C16_41 C17_41 C18_41 C22_41 178.5(19) . . . . ?
C17_41 C16_41 C21_41 C20_41 6(3) . . . . ?
C17_41 C18_41 C19_41 C20_41 1(4) . . . . ?
C17_41 C18_41 C22_41 F23_41 11(3) . . . . ?
C17_41 C18_41 C22_41 F24_41 132(2) . . . . ?
C17_41 C18_41 C22_41 F25_41 -111(3) . . . . ?
C18_41 C19_41 C20_41 C21_41 -1(5) . . . . ?
C18_41 C19_41 C20_41 C26_41 -178(3) . . . . ?
C19_41 C18_41 C22_41 F23_41 -173(2) . . . . ?
C19_41 C18_41 C22_41 F24_41 -52(3) . . . . ?
C19_41 C18_41 C22_41 F25_41 64(3) . . . . ?
C19_41 C20_41 C21_41 C16_41 -3(4) . . . . ?
C19_41 C20_41 C26_41 F27_41 -144(3) . . . . ?
C19_41 C20_41 C26_41 F28_41 97(3) . . . . ?
C19_41 C20_41 C26_41 F29_41 -21(4) . . . . ?
C21_41 C16_41 C17_41 C18_41 -6(3) . . . . ?
C21_41 C20_41 C26_41 F27_41 38(3) . . . . ?
C21_41 C20_41 C26_41 F28_41 -80(3) . . . . ?
C21_41 C20_41 C26_41 F29_41 161(3) . . . . ?
C22_41 C18_41 C19_41 C20_41 -175(3) . . . . ?
C26_41 C20_41 C21_41 C16_41 175(2) . . . . ?
C30_41 B1_41 C2_41 C3_41 36(3) . . . . ?
C30_41 B1_41 C2_41 C7_41 -141(3) . . . . ?
C30_41 B1_41 C16_41 C17_41 13(2) . . . . ?
C30_41 B1_41 C16_41 C21_41 -165.2(16) . . . . ?
C30_41 B1_41 C44_41 C45_41 76.4(18) . . . . ?
C30_41 B1_41 C44_41 C49_41 -94.1(18) . . . . ?
C30_41 C31_41 C32_41 C33_41 -4(3) . . . . ?
C30_41 C31_41 C32_41 C36_41 -177.6(17) . . . . ?
C31_41 C30_41 C35_41 C34_41 -3(3) . . . . ?
C31_41 C32_41 C33_41 C34_41 1(3) . . . . ?
C31_41 C32_41 C36_41 F37_41 67(2) . . . . ?
C31_41 C32_41 C36_41 F38_41 -172(2) . . . . ?
C31_41 C32_41 C36_41 F39_41 -54(2) . . . . ?
C32_41 C33_41 C34_41 C35_41 0(3) . . . . ?
C32_41 C33_41 C34_41 C40_41 176(2) . . . . ?
C33_41 C32_41 C36_41 F37_41 -107(2) . . . . ?
C33_41 C32_41 C36_41 F38_41 14(3) . . . . ?
C33_41 C32_41 C36_41 F39_41 132(2) . . . . ?
C33_41 C34_41 C35_41 C30_41 1(3) . . . . ?
C33_41 C34_41 C40_41 F41_41 4(3) . . . . ?
C33_41 C34_41 C40_41 F42_41 127(2) . . . . ?
C33_41 C34_41 C40_41 F43_41 -117(2) . . . . ?
C35_41 C30_41 C31_41 C32_41 4(3) . . . . ?
C35_41 C34_41 C40_41 F41_41 -180(2) . . . . ?
C35_41 C34_41 C40_41 F42_41 -57(2) . . . . ?
C35_41 C34_41 C40_41 F43_41 60(3) . . . . ?
C36_41 C32_41 C33_41 C34_41 175.4(19) . . . . ?
C40_41 C34_41 C35_41 C30_41 -175.5(18) . . . . ?
C44_41 B1_41 C2_41 C3_41 -83(3) . . . . ?
C44_41 B1_41 C2_41 C7_41 101(3) . . . . ?
C44_41 B1_41 C16_41 C17_41 133.3(17) . . . . ?
C44_41 B1_41 C16_41 C21_41 -45(2) . . . . ?
C44_41 B1_41 C30_41 C31_41 -8.6(18) . . . . ?
C44_41 B1_41 C30_41 C35_41 166.6(16) . . . . ?
C44_41 C45_41 C46_41 C47_41 4(4) . . . . ?
C44_41 C45_41 C46_41 C50_41 175(2) . . . . ?
C45_41 C44_41 C49_41 C48_41 2(3) . . . . ?
C45_41 C46_41 C47_41 C48_41 1(4) . . . . ?
C45_41 C46_41 C50_41 F51_41 -51(3) . . . . ?
C45_41 C46_41 C50_41 F52_41 -173(2) . . . . ?
C45_41 C46_41 C50_41 F53_41 67(3) . . . . ?
C46_41 C47_41 C48_41 C49_41 -5(4) . . . . ?
C46_41 C47_41 C48_41 C54_41 178(2) . . . . ?
C47_41 C46_41 C50_41 F51_41 120(3) . . . . ?
C47_41 C46_41 C50_41 F52_41 -2(3) . . . . ?
C47_41 C46_41 C50_41 F53_41 -122(3) . . . . ?
C47_41 C48_41 C49_41 C44_41 3(4) . . . . ?
C47_41 C48_41 C54_41 F55_41 -3(3) . . . . ?
C47_41 C48_41 C54_41 F56_41 121(3) . . . . ?
C47_41 C48_41 C54_41 F57_41 -124(3) . . . . ?
C49_41 C44_41 C45_41 C46_41 -5(3) . . . . ?
C49_41 C48_41 C54_41 F55_41 180(2) . . . . ?
C49_41 C48_41 C54_41 F56_41 -57(3) . . . . ?
C49_41 C48_41 C54_41 F57_41 58(3) . . . . ?
C50_41 C46_41 C47_41 C48_41 -169(2) . . . . ?
C54_41 C48_41 C49_41 C44_41 -179.6(17) . . . . ?
B1_42 C2_42 C3_42 C4_42 178.3(14) . . . . ?
B1_42 C2_42 C7_42 C6_42 179.9(14) . . . . ?
B1_42 C16_42 C17_42 C18_42 179.4(11) . . . . ?
B1_42 C16_42 C21_42 C20_42 178.7(13) . . . . ?
B1_42 C30_42 C31_42 C32_42 179.3(11) . . . . ?
B1_42 C30_42 C35_42 C34_42 -180.0(13) . . . . ?
B1_42 C44_42 C45_42 C46_42 178.1(14) . . . . ?
B1_42 C44_42 C49_42 C48_42 -179.1(13) . . . . ?
C2_42 B1_42 C16_42 C17_42 33.5(15) . . . . ?
C2_42 B1_42 C16_42 C21_42 -154.6(12) . . . . ?
C2_42 B1_42 C30_42 C31_42 -84.1(12) . . . . ?
C2_42 B1_42 C30_42 C35_42 87.8(13) . . . . ?
C2_42 B1_42 C44_42 C45_42 156.4(13) . . . . ?
C2_42 B1_42 C44_42 C49_42 -32.6(17) . . . . ?
C2_42 C3_42 C4_42 C5_42 7(3) . . . . ?
C2_42 C3_42 C4_42 C8_42 -178.5(14) . . . . ?
C3_42 C2_42 C7_42 C6_42 3(2) . . . . ?
C3_42 C4_42 C5_42 C6_42 -6(3) . . . . ?
C3_42 C4_42 C8_42 F9_42 -78.6(18) . . . . ?
C3_42 C4_42 C8_42 F10_42 43(2) . . . . ?
C3_42 C4_42 C8_42 F11_42 163.0(16) . . . . ?
C4_42 C5_42 C6_42 C7_42 5(2) . . . . ?
C4_42 C5_42 C6_42 C12_42 -176.1(15) . . . . ?
C5_42 C4_42 C8_42 F9_42 96.1(17) . . . . ?
C5_42 C4_42 C8_42 F10_42 -142.8(16) . . . . ?
C5_42 C4_42 C8_42 F11_42 -22(2) . . . . ?
C5_42 C6_42 C7_42 C2_42 -3(3) . . . . ?
C5_42 C6_42 C12_42 F13_42 -92.4(19) . . . . ?
C5_42 C6_42 C12_42 F14_42 147.7(17) . . . . ?
C5_42 C6_42 C12_42 F15_42 31(2) . . . . ?
C7_42 C2_42 C3_42 C4_42 -5(2) . . . . ?
C7_42 C6_42 C12_42 F13_42 87.0(19) . . . . ?
C7_42 C6_42 C12_42 F14_42 -33(2) . . . . ?
C7_42 C6_42 C12_42 F15_42 -149.6(15) . . . . ?
C8_42 C4_42 C5_42 C6_42 179.0(15) . . . . ?
C12_42 C6_42 C7_42 C2_42 177.6(14) . . . . ?
C16_42 B1_42 C2_42 C3_42 -146.8(13) . . . . ?
C16_42 B1_42 C2_42 C7_42 36.6(16) . . . . ?
C16_42 B1_42 C30_42 C31_42 154.5(11) . . . . ?
C16_42 B1_42 C30_42 C35_42 -33.6(14) . . . . ?
C16_42 B1_42 C44_42 C45_42 -82.3(14) . . . . ?
C16_42 B1_42 C44_42 C49_42 88.7(15) . . . . ?
C16_42 C17_42 C18_42 C19_42 -3(2) . . . . ?
C16_42 C17_42 C18_42 C22_42 179.2(12) . . . . ?
C17_42 C16_42 C21_42 C20_42 -9(2) . . . . ?
C17_42 C18_42 C19_42 C20_42 0(2) . . . . ?
C17_42 C18_42 C22_42 F23_42 -56.5(18) . . . . ?
C17_42 C18_42 C22_42 F24_42 61.8(16) . . . . ?
C17_42 C18_42 C22_42 F25_42 175.7(14) . . . . ?
C18_42 C19_42 C20_42 C21_42 -2(3) . . . . ?
C18_42 C19_42 C20_42 C26_42 176.1(15) . . . . ?
C19_42 C18_42 C22_42 F23_42 125.7(15) . . . . ?
C19_42 C18_42 C22_42 F24_42 -116.0(15) . . . . ?
C19_42 C18_42 C22_42 F25_42 -2.1(19) . . . . ?
C19_42 C20_42 C21_42 C16_42 7(3) . . . . ?
C19_42 C20_42 C26_42 F27_42 -73(3) . . . . ?
C19_42 C20_42 C26_42 F28_42 44(2) . . . . ?
C19_42 C20_42 C26_42 F29_42 161(2) . . . . ?
C21_42 C16_42 C17_42 C18_42 7(2) . . . . ?
C21_42 C20_42 C26_42 F27_42 106(2) . . . . ?
C21_42 C20_42 C26_42 F28_42 -137.5(18) . . . . ?
C21_42 C20_42 C26_42 F29_42 -20(2) . . . . ?
C22_42 C18_42 C19_42 C20_42 178.2(15) . . . . ?
C26_42 C20_42 C21_42 C16_42 -171.5(15) . . . . ?
C30_42 B1_42 C2_42 C3_42 91.0(15) . . . . ?
C30_42 B1_42 C2_42 C7_42 -85.6(14) . . . . ?
C30_42 B1_42 C16_42 C17_42 152.6(11) . . . . ?
C30_42 B1_42 C16_42 C21_42 -35.6(15) . . . . ?
C30_42 B1_42 C44_42 C45_42 38.2(16) . . . . ?
C30_42 B1_42 C44_42 C49_42 -150.7(13) . . . . ?
C30_42 C31_42 C32_42 C33_42 -3(2) . . . . ?
C30_42 C31_42 C32_42 C36_42 177.4(12) . . . . ?
C31_42 C30_42 C35_42 C34_42 -7(2) . . . . ?
C31_42 C32_42 C33_42 C34_42 -1(2) . . . . ?
C31_42 C32_42 C36_42 F37_42 82.4(16) . . . . ?
C31_42 C32_42 C36_42 F38_42 -159.6(14) . . . . ?
C31_42 C32_42 C36_42 F39_42 -36.5(18) . . . . ?
C32_42 C33_42 C34_42 C35_42 1(3) . . . . ?
C32_42 C33_42 C34_42 C40_42 175.7(16) . . . . ?
C33_42 C32_42 C36_42 F37_42 -97.6(16) . . . . ?
C33_42 C32_42 C36_42 F38_42 20(2) . . . . ?
C33_42 C32_42 C36_42 F39_42 143.5(15) . . . . ?
C33_42 C34_42 C35_42 C30_42 4(3) . . . . ?
C33_42 C34_42 C40_42 F41_42 -2(3) . . . . ?
C33_42 C34_42 C40_42 F42_42 120(2) . . . . ?
C33_42 C34_42 C40_42 F43_42 -123(2) . . . . ?
C35_42 C30_42 C31_42 C32_42 6.9(19) . . . . ?
C35_42 C34_42 C40_42 F41_42 172.9(19) . . . . ?
C35_42 C34_42 C40_42 F42_42 -65(2) . . . . ?
C35_42 C34_42 C40_42 F43_42 52(2) . . . . ?
C36_42 C32_42 C33_42 C34_42 178.6(14) . . . . ?
C40_42 C34_42 C35_42 C30_42 -171.0(14) . . . . ?
C44_42 B1_42 C2_42 C3_42 -28.2(17) . . . . ?
C44_42 B1_42 C2_42 C7_42 155.2(13) . . . . ?
C44_42 B1_42 C16_42 C17_42 -89.2(13) . . . . ?
C44_42 B1_42 C16_42 C21_42 82.6(14) . . . . ?
C44_42 B1_42 C30_42 C31_42 37.8(14) . . . . ?
C44_42 B1_42 C30_42 C35_42 -150.3(12) . . . . ?
C44_42 C45_42 C46_42 C47_42 -3(3) . . . . ?
C44_42 C45_42 C46_42 C50_42 179.4(15) . . . . ?
C45_42 C44_42 C49_42 C48_42 -7(2) . . . . ?
C45_42 C46_42 C47_42 C48_42 1(3) . . . . ?
C45_42 C46_42 C50_42 F51_42 -178.0(15) . . . . ?
C45_42 C46_42 C50_42 F52_42 -57(2) . . . . ?
C45_42 C46_42 C50_42 F53_42 60(2) . . . . ?
C46_42 C47_42 C48_42 C49_42 -2(3) . . . . ?
C46_42 C47_42 C48_42 C54_42 -177.5(16) . . . . ?
C47_42 C46_42 C50_42 F51_42 4(2) . . . . ?
C47_42 C46_42 C50_42 F52_42 125.8(18) . . . . ?
C47_42 C46_42 C50_42 F53_42 -117.2(19) . . . . ?
C47_42 C48_42 C49_42 C44_42 6(3) . . . . ?
C47_42 C48_42 C54_42 F55_42 -18(2) . . . . ?
C47_42 C48_42 C54_42 F56_42 -142.0(17) . . . . ?
C47_42 C48_42 C54_42 F57_42 101.5(19) . . . . ?
C49_42 C44_42 C45_42 C46_42 6(2) . . . . ?
C49_42 C48_42 C54_42 F55_42 165.7(18) . . . . ?
C49_42 C48_42 C54_42 F56_42 42(2) . . . . ?
C49_42 C48_42 C54_42 F57_42 -74(2) . . . . ?
C50_42 C46_42 C47_42 C48_42 178.1(15) . . . . ?
C54_42 C48_42 C49_42 C44_42 -178.7(15) . . . . ?
B1_43 C2_43 C3_43 C4_43 177(2) . . . . ?
B1_43 C2_43 C7_43 C6_43 -180.0(16) . . . . ?
B1_43 C16_43 C17_43 C18_43 176(2) . . . . ?
B1_43 C16_43 C21_43 C20_43 -179.8(17) . . . . ?
B1_43 C30_43 C31_43 C32_43 176(2) . . . . ?
B1_43 C30_43 C35_43 C34_43 179.0(13) . . . . ?
B1_43 C44_43 C45_43 C46_43 -179(2) . . . . ?
B1_43 C44_43 C49_43 C48_43 176.5(15) . . . . ?
C2_43 B1_43 C16_43 C17_43 -38.1(17) . . . . ?
C2_43 B1_43 C16_43 C21_43 144.6(11) . . . . ?
C2_43 B1_43 C30_43 C31_43 -141.3(17) . . . . ?
C2_43 B1_43 C30_43 C35_43 43.0(11) . . . . ?
C2_43 B1_43 C44_43 C45_43 -105(2) . . . . ?
C2_43 B1_43 C44_43 C49_43 73.8(13) . . . . ?
C2_43 C3_43 C4_43 C5_43 5(4) . . . . ?
C2_43 C3_43 C4_43 C8_43 -178(2) . . . . ?
C3_43 C2_43 C7_43 C6_43 1(2) . . . . ?
C3_43 C4_43 C5_43 C6_43 -3(5) . . . . ?
C3_43 C4_43 C8_43 F9_43 -70(3) . . . . ?
C3_43 C4_43 C8_43 F10_43 166(3) . . . . ?
C3_43 C4_43 C8_43 F11_43 51(3) . . . . ?
C4_43 C5_43 C6_43 C7_43 1(4) . . . . ?
C4_43 C5_43 C6_43 C12_43 -177(3) . . . . ?
C5_43 C4_43 C8_43 F9_43 108(3) . . . . ?
C5_43 C4_43 C8_43 F10_43 -17(4) . . . . ?
C5_43 C4_43 C8_43 F11_43 -132(3) . . . . ?
C5_43 C6_43 C7_43 C2_43 0(3) . . . . ?
C5_43 C6_43 C12_43 F13_43 -180(3) . . . . ?
C5_43 C6_43 C12_43 F14_43 -55(4) . . . . ?
C5_43 C6_43 C12_43 F15_43 64(4) . . . . ?
C7_43 C2_43 C3_43 C4_43 -4(3) . . . . ?
C7_43 C6_43 C12_43 F13_43 3(3) . . . . ?
C7_43 C6_43 C12_43 F14_43 127(3) . . . . ?
C7_43 C6_43 C12_43 F15_43 -114(3) . . . . ?
C8_43 C4_43 C5_43 C6_43 180(3) . . . . ?
C12_43 C6_43 C7_43 C2_43 178.1(16) . . . . ?
C16_43 B1_43 C2_43 C3_43 146.9(17) . . . . ?
C16_43 B1_43 C2_43 C7_43 -31.8(10) . . . . ?
C16_43 B1_43 C30_43 C31_43 96.7(18) . . . . ?
C16_43 B1_43 C30_43 C35_43 -79.0(12) . . . . ?
C16_43 B1_43 C44_43 C45_43 14(2) . . . . ?
C16_43 B1_43 C44_43 C49_43 -167.1(12) . . . . ?
C16_43 C17_43 C18_43 C19_43 6(5) . . . . ?
C16_43 C17_43 C18_43 C22_43 179(2) . . . . ?
C17_43 C16_43 C21_43 C20_43 3(2) . . . . ?
C17_43 C18_43 C19_43 C20_43 -1(5) . . . . ?
C17_43 C18_43 C22_43 F23_43 -28(4) . . . . ?
C17_43 C18_43 C22_43 F24_43 -143(3) . . . . ?
C17_43 C18_43 C22_43 F25_43 94(4) . . . . ?
C18_43 C19_43 C20_43 C21_43 -2(5) . . . . ?
C18_43 C19_43 C20_43 C26_43 178(3) . . . . ?
C19_43 C18_43 C22_43 F23_43 145(4) . . . . ?
C19_43 C18_43 C22_43 F24_43 31(4) . . . . ?
C19_43 C18_43 C22_43 F25_43 -92(4) . . . . ?
C19_43 C20_43 C21_43 C16_43 1(4) . . . . ?
C19_43 C20_43 C26_43 F27_43 117(4) . . . . ?
C19_43 C20_43 C26_43 F28_43 -126(4) . . . . ?
C19_43 C20_43 C26_43 F29_43 -4(4) . . . . ?
C21_43 C16_43 C17_43 C18_43 -6(3) . . . . ?
C21_43 C20_43 C26_43 F27_43 -63(3) . . . . ?
C21_43 C20_43 C26_43 F28_43 53(3) . . . . ?
C21_43 C20_43 C26_43 F29_43 176(3) . . . . ?
C22_43 C18_43 C19_43 C20_43 -175(3) . . . . ?
C26_43 C20_43 C21_43 C16_43 -178.4(16) . . . . ?
C30_43 B1_43 C2_43 C3_43 32.7(17) . . . . ?
C30_43 B1_43 C2_43 C7_43 -146.0(11) . . . . ?
C30_43 B1_43 C16_43 C17_43 87.4(18) . . . . ?
C30_43 B1_43 C16_43 C21_43 -89.9(12) . . . . ?
C30_43 B1_43 C44_43 C45_43 129(2) . . . . ?
C30_43 B1_43 C44_43 C49_43 -52.5(12) . . . . ?
C30_43 C31_43 C32_43 C33_43 9(4) . . . . ?
C30_43 C31_43 C32_43 C36_43 -174(2) . . . . ?
C31_43 C30_43 C35_43 C34_43 3.0(19) . . . . ?
C31_43 C32_43 C33_43 C34_43 -3(4) . . . . ?
C31_43 C32_43 C36_43 F37_43 -60(3) . . . . ?
C31_43 C32_43 C36_43 F38_43 -175(3) . . . . ?
C31_43 C32_43 C36_43 F39_43 64(3) . . . . ?
C32_43 C33_43 C34_43 C35_43 -1(4) . . . . ?
C32_43 C33_43 C34_43 C40_43 -178(2) . . . . ?
C33_43 C32_43 C36_43 F37_43 117(3) . . . . ?
C33_43 C32_43 C36_43 F38_43 2(3) . . . . ?
C33_43 C32_43 C36_43 F39_43 -119(3) . . . . ?
C33_43 C34_43 C35_43 C30_43 2(3) . . . . ?
C33_43 C34_43 C40_43 F41_43 0(3) . . . . ?
C33_43 C34_43 C40_43 F42_43 120(2) . . . . ?
C33_43 C34_43 C40_43 F43_43 -123(2) . . . . ?
C35_43 C30_43 C31_43 C32_43 -8(3) . . . . ?
C35_43 C34_43 C40_43 F41_43 -177(2) . . . . ?
C35_43 C34_43 C40_43 F42_43 -57(2) . . . . ?
C35_43 C34_43 C40_43 F43_43 61(2) . . . . ?
C36_43 C32_43 C33_43 C34_43 180(2) . . . . ?
C40_43 C34_43 C35_43 C30_43 178.0(13) . . . . ?
C44_43 B1_43 C2_43 C3_43 -92.9(18) . . . . ?
C44_43 B1_43 C2_43 C7_43 88.4(12) . . . . ?
C44_43 B1_43 C16_43 C17_43 -147.6(17) . . . . ?
C44_43 B1_43 C16_43 C21_43 35.1(10) . . . . ?
C44_43 B1_43 C30_43 C31_43 -26.4(17) . . . . ?
C44_43 B1_43 C30_43 C35_43 157.9(12) . . . . ?
C44_43 C45_43 C46_43 C47_43 -2(5) . . . . ?
C44_43 C45_43 C46_43 C50_43 -179(2) . . . . ?
C45_43 C44_43 C49_43 C48_43 -4(2) . . . . ?
C45_43 C46_43 C47_43 C48_43 4(5) . . . . ?
C45_43 C46_43 C50_43 F51_43 149(4) . . . . ?
C45_43 C46_43 C50_43 F52_43 30(4) . . . . ?
C45_43 C46_43 C50_43 F53_43 -93(4) . . . . ?
C46_43 C47_43 C48_43 C49_43 -7(5) . . . . ?
C46_43 C47_43 C48_43 C54_43 -173(3) . . . . ?
C47_43 C46_43 C50_43 F51_43 -28(4) . . . . ?
C47_43 C46_43 C50_43 F52_43 -147(4) . . . . ?
C47_43 C46_43 C50_43 F53_43 90(4) . . . . ?
C47_43 C48_43 C49_43 C44_43 8(4) . . . . ?
C47_43 C48_43 C54_43 F55_43 -151(4) . . . . ?
C47_43 C48_43 C54_43 F56_43 -24(4) . . . . ?
C47_43 C48_43 C54_43 F57_43 92(4) . . . . ?
C49_43 C44_43 C45_43 C46_43 2(4) . . . . ?
C49_43 C48_43 C54_43 F55_43 42(3) . . . . ?
C49_43 C48_43 C54_43 F56_43 170(3) . . . . ?
C49_43 C48_43 C54_43 F57_43 -74(3) . . . . ?
C50_43 C46_43 C47_43 C48_43 -178(3) . . . . ?
C54_43 C48_43 C49_43 C44_43 173.1(16) . . . . ?

