#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:12:45 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263666 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/01/1560142.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1560142
loop_
_publ_author_name
'Freeman, Lucas A.'
'Obi, Akachukwu D.'
'Machost, Haleigh R.'
'Molino, Andrew'
'Nichols, Asa W.'
'Dickie, Diane A.'
'Wilson, David J. D.'
'Machan, Charles W.'
'Gilliard, Robert J.'
_publ_section_title
;
 Soluble, crystalline, and thermally stable alkali CO2− and
 carbonite (CO22−) clusters supported by cyclic(alkyl)(amino)
 carbenes
;
_journal_issue                   10
_journal_name_full               'Chemical Science'
_journal_page_first              3544
_journal_page_last               3550
_journal_paper_doi               10.1039/D0SC06851A
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C144 H224 N6 Na12 O12'
_chemical_formula_weight         2507.16
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_update_record
;
2020-03-19 deposited with the CCDC.	2021-01-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.473(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.2060(5)
_cell_length_b                   29.7416(9)
_cell_length_c                   30.0188(8)
_cell_measurement_reflns_used    6917
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      67.8321
_cell_measurement_theta_min      2.9716
_cell_volume                     14127.3(7)
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service v2017.5.0.0'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa APEXII Duo'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1306
_diffrn_reflns_av_unetI/netI     0.1075
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            107931
_diffrn_reflns_theta_full        68.36
_diffrn_reflns_theta_max         68.36
_diffrn_reflns_theta_min         2.12
_diffrn_source                   'Incoatec Microfocus I\mS'
_exptl_absorpt_coefficient_mu    0.891
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5432
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexanes'
_exptl_crystal_size_max          0.233
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.423
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1617
_refine_ls_number_reflns         25912
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1231
_refine_ls_R_factor_gt           0.0704
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0810P)²+6.0957P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1646
_refine_ls_wR_factor_ref         0.1959
_reflns_number_gt                15555
_reflns_number_total             25912
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc06851a2.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1560139--1560146.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1560142
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Na Na1 0.43933(8) 0.39340(5) 0.64897(5) 0.0266(3) Uani d . . . 1 . .
Na Na2 0.33906(10) 0.49952(5) 0.62023(5) 0.0321(3) Uani d . . . 1 . .
Na Na3 0.37863(8) 0.45001(5) 0.71871(5) 0.0257(3) Uani d . . . 1 . .
Na Na4 0.43404(10) 0.55807(5) 0.74966(5) 0.0313(3) Uani d . . . 1 . .
Na Na5 0.55392(9) 0.45999(5) 0.77370(5) 0.0265(3) Uani d . . . 1 . .
Na Na6 0.61478(8) 0.39499(5) 0.71122(5) 0.0259(3) Uani d . . . 1 . .
Na Na7 0.51084(9) 0.38021(5) 0.82902(5) 0.0292(3) Uani d . . . 1 . .
Na Na8 0.75933(9) 0.30921(6) 0.73235(5) 0.0314(3) Uani d . . . 1 . .
Na Na9 0.67211(9) 0.29790(5) 0.85820(5) 0.0299(3) Uani d . . . 1 . .
Na Na10 0.55989(8) 0.31752(5) 0.75785(5) 0.0264(3) Uani d . . . 1 . .
Na Na11 0.38517(9) 0.31257(5) 0.69835(5) 0.0272(3) Uani d . . . 1 . .
Na Na12 0.32974(9) 0.36944(5) 0.76724(5) 0.0285(3) Uani d . . . 1 . .
O O1 0.31314(15) 0.37910(9) 0.69145(8) 0.0266(5) Uani d . . . 1 . .
O O2 0.31683(14) 0.43045(9) 0.63657(8) 0.0243(5) Uani d . . . 1 . .
O O3 0.43122(15) 0.51149(8) 0.68944(8) 0.0232(5) Uani d . . . 1 . .
O O4 0.51842(14) 0.45013(8) 0.69482(8) 0.0222(5) Uani d . . . 1 . .
O O5 0.45439(17) 0.49936(9) 0.79536(9) 0.0316(6) Uani d . . . 1 . .
O O6 0.40792(16) 0.42750(9) 0.79687(8) 0.0286(6) Uani d . . . 1 . .
O O7 0.62071(14) 0.39489(9) 0.78985(8) 0.0241(5) Uani d . . . 1 . .
O O8 0.69708(15) 0.33026(9) 0.79032(8) 0.0247(5) Uani d . . . 1 . .
O O9 0.53597(15) 0.30660(9) 0.83390(8) 0.0258(5) Uani d . . . 1 . .
O O10 0.42393(15) 0.31130(9) 0.77440(8) 0.0276(6) Uani d . . . 1 . .
O O11 0.64959(16) 0.33195(10) 0.68092(9) 0.0328(6) Uani d . . . 1 . .
O O12 0.50849(15) 0.33034(9) 0.67921(8) 0.0263(5) Uani d . . . 1 . .
N N1 0.15351(18) 0.40358(10) 0.58414(10) 0.0233(6) Uani d . . . 1 . .
N N2 0.50729(18) 0.55514(10) 0.62749(9) 0.0224(6) Uani d . . . 1 . .
N N3 0.3821(2) 0.52548(11) 0.86947(10) 0.0297(7) Uani d . . . 1 . .
N N4 0.82552(18) 0.35844(11) 0.86141(10) 0.0240(6) Uani d . . . 1 . .
N N5 0.44586(18) 0.25145(11) 0.88530(10) 0.0276(7) Uani d . . . 1 . .
N N6 0.63185(19) 0.27659(11) 0.60236(10) 0.0279(7) Uani d . . . 1 . .
C C1 0.2720(2) 0.39829(12) 0.65153(12) 0.0230(7) Uani d . . . 1 . .
C C2 0.1916(2) 0.38751(13) 0.62961(12) 0.0228(7) Uani d . . . 1 . .
C C3 0.1320(2) 0.35166(14) 0.64294(13) 0.0299(8) Uani d . . . 1 . .
C C4 0.0619(2) 0.34825(14) 0.59913(13) 0.0283(8) Uani d . . . 1 . .
H H4A 0.047118 0.31634 0.592169 0.034 Uiso calc U . R 1 . .
H H4B 0.010545 0.36421 0.603408 0.034 Uiso calc U . R 1 . .
C C5 0.0948(2) 0.36961(14) 0.55978(13) 0.0286(8) Uani d . . . 1 . .
C C6 0.1396(3) 0.33332(15) 0.53676(15) 0.0388(10) Uani d . . . 1 . .
H H6A 0.15347 0.345728 0.50903 0.058 Uiso calc U . R 1 . .
H H6B 0.102113 0.307343 0.528789 0.058 Uiso calc U . R 1 . .
H H6C 0.191632 0.323881 0.557852 0.058 Uiso calc U . R 1 . .
C C7 0.0241(3) 0.39037(15) 0.52412(14) 0.0371(9) Uani d . . . 1 . .
H H7A -0.006952 0.412093 0.538787 0.056 Uiso calc U . R 1 . .
H H7B -0.014527 0.366684 0.509585 0.056 Uiso calc U . R 1 . .
H H7C 0.048213 0.405711 0.500987 0.056 Uiso calc U . R 1 . .
C C8 0.1762(3) 0.30717(15) 0.65593(16) 0.0394(10) Uani d . . . 1 . .
H H8A 0.222064 0.312146 0.683172 0.047 Uiso calc U . R 1 . .
H H8B 0.203055 0.297785 0.630761 0.047 Uiso calc U . R 1 . .
C C9 0.1208(3) 0.26785(17) 0.6663(2) 0.0549(14) Uani d . . . 1 . .
H H9A 0.073834 0.263006 0.640153 0.082 Uiso calc U . R 1 . .
H H9B 0.098465 0.275165 0.693308 0.082 Uiso calc U . R 1 . .
H H9C 0.155092 0.240463 0.67218 0.082 Uiso calc U . R 1 . .
C C10 0.0875(3) 0.36906(16) 0.68114(15) 0.0397(10) Uani d . . . 1 . .
H H10A 0.056347 0.396915 0.669944 0.048 Uiso calc U . R 1 . .
H H10B 0.045062 0.346382 0.685306 0.048 Uiso calc U . R 1 . .
C C11 0.1429(3) 0.37885(18) 0.72711(15) 0.0440(11) Uani d . . . 1 . .
H H11A 0.185024 0.40154 0.723881 0.066 Uiso calc U . R 1 . .
H H11C 0.171569 0.351211 0.739786 0.066 Uiso calc U . R 1 . .
H H11B 0.1081 0.390173 0.747639 0.066 Uiso calc U . R 1 . .
C C12 0.1595(2) 0.44815(13) 0.56785(11) 0.0235(7) Uani d . . . 1 . .
C C13 0.2123(2) 0.45698(13) 0.53716(12) 0.0279(8) Uani d . . . 1 . .
C C14 0.2187(3) 0.50114(15) 0.52152(13) 0.0364(9) Uani d . . . 1 . .
H H14 0.254692 0.507153 0.50109 0.044 Uiso calc U . R 1 . .
C C15 0.1735(3) 0.53604(15) 0.53535(15) 0.0403(10) Uani d . . . 1 . .
H H15 0.179488 0.565858 0.525152 0.048 Uiso calc U . R 1 . .
C C16 0.1199(3) 0.52705(15) 0.56397(15) 0.0384(10) Uani d . . . 1 . .
H H16 0.087948 0.550901 0.57283 0.046 Uiso calc U . R 1 . .
C C17 0.1112(2) 0.48356(14) 0.58047(13) 0.0293(8) Uani d . . . 1 . .
C C18 0.0491(2) 0.47582(15) 0.61032(13) 0.0326(9) Uani d . . . 1 . .
H H18 0.040868 0.442602 0.612162 0.039 Uiso calc U . R 1 . .
C C19 -0.0381(3) 0.49679(18) 0.59114(17) 0.0474(12) Uani d . . . 1 . .
H H19A -0.03287 0.529613 0.590822 0.071 Uiso calc U . R 1 . .
H H19B -0.077258 0.488218 0.610396 0.071 Uiso calc U . R 1 . .
H H19C -0.059708 0.485914 0.55999 0.071 Uiso calc U . R 1 . .
C C20 0.0852(3) 0.49273(19) 0.65895(15) 0.0512(13) Uani d . . . 1 . .
H H20A 0.138869 0.477497 0.671314 0.077 Uiso calc U . R 1 . .
H H20B 0.045039 0.486229 0.678288 0.077 Uiso calc U . R 1 . .
H H20C 0.094661 0.525239 0.658304 0.077 Uiso calc U . R 1 . .
C C21 0.2613(2) 0.42011(14) 0.52019(12) 0.0275(8) Uani d . . . 1 . .
H H21 0.252596 0.391761 0.536501 0.033 Uiso calc U . R 1 . .
C C22 0.3562(2) 0.43022(16) 0.53040(13) 0.0367(10) Uani d . . . 1 . .
H H22A 0.366537 0.457158 0.513606 0.055 Uiso calc U . R 1 . .
H H22B 0.386455 0.404644 0.520908 0.055 Uiso calc U . R 1 . .
H H22C 0.376346 0.435325 0.563199 0.055 Uiso calc U . R 1 . .
C C23 0.2280(2) 0.41234(16) 0.46875(12) 0.0354(9) Uani d . . . 1 . .
H H23A 0.167653 0.405024 0.462885 0.053 Uiso calc U . R 1 . .
H H23B 0.258919 0.387382 0.458621 0.053 Uiso calc U . R 1 . .
H H23C 0.236248 0.439667 0.451998 0.053 Uiso calc U . R 1 . .
C C24 0.4949(2) 0.49086(12) 0.67621(11) 0.0219(7) Uani d . . . 1 . .
C C25 0.5337(2) 0.51042(12) 0.64488(12) 0.0215(7) Uani d . . . 1 . .
C C26 0.6016(2) 0.49115(12) 0.62136(12) 0.0227(7) Uani d . . . 1 . .
C C27 0.6156(2) 0.53140(13) 0.59115(12) 0.0253(7) Uani d . . . 1 . .
H H27A 0.667506 0.547884 0.605757 0.03 Uiso calc U . R 1 . .
H H27B 0.6225 0.520483 0.561003 0.03 Uiso calc U . R 1 . .
C C28 0.5386(2) 0.56270(13) 0.58523(12) 0.0247(8) Uani d . . . 1 . .
C C29 0.5638(3) 0.61165(13) 0.57967(13) 0.0320(8) Uani d . . . 1 . .
H H29A 0.51391 0.63095 0.57654 0.048 Uiso calc U . R 1 . .
H H29B 0.587431 0.61444 0.552362 0.048 Uiso calc U . R 1 . .
H H29C 0.606319 0.620884 0.606547 0.048 Uiso calc U . R 1 . .
C C30 0.4696(2) 0.54944(14) 0.54401(12) 0.0292(8) Uani d . . . 1 . .
H H30A 0.447434 0.519684 0.549186 0.044 Uiso calc U . R 1 . .
H H30B 0.493334 0.548597 0.516642 0.044 Uiso calc U . R 1 . .
H H30C 0.423716 0.571562 0.539794 0.044 Uiso calc U . R 1 . .
C C31 0.5669(2) 0.45022(13) 0.59127(12) 0.0262(8) Uani d . . . 1 . .
H H31A 0.547287 0.427566 0.610807 0.031 Uiso calc U . R 1 . .
H H31B 0.516984 0.460152 0.568205 0.031 Uiso calc U . R 1 . .
C C32 0.6283(2) 0.42729(14) 0.56643(13) 0.0325(9) Uani d . . . 1 . .
H H32A 0.64794 0.449096 0.546538 0.049 Uiso calc U . R 1 . .
H H32B 0.59957 0.402386 0.547987 0.049 Uiso calc U . R 1 . .
H H32C 0.6768 0.415659 0.588802 0.049 Uiso calc U . R 1 . .
C C33 0.6838(2) 0.47544(14) 0.65537(12) 0.0266(8) Uani d . . . 1 . .
H H33A 0.682436 0.487283 0.686031 0.032 Uiso calc U . R 1 . .
H H33B 0.682852 0.442216 0.657231 0.032 Uiso calc U . R 1 . .
C C34 0.7675(2) 0.48974(15) 0.64354(14) 0.0349(9) Uani d . . . 1 . .
H H34A 0.765518 0.483427 0.611284 0.052 Uiso calc U . R 1 . .
H H34B 0.814148 0.472917 0.662524 0.052 Uiso calc U . R 1 . .
H H34C 0.776315 0.522012 0.649262 0.052 Uiso calc U . R 1 . .
C C35 0.5066(2) 0.59147(12) 0.65886(12) 0.0255(8) Uani d . . . 1 . .
C C36 0.5758(2) 0.60235(13) 0.69416(12) 0.0293(8) Uani d . . . 1 . .
C C37 0.5671(3) 0.63786(14) 0.72361(14) 0.0353(9) Uani d . . . 1 . .
H H37 0.61288 0.644563 0.748304 0.042 Uiso calc U . R 1 . .
C C38 0.4941(3) 0.66349(15) 0.71803(14) 0.0376(10) Uani d . . . 1 . .
H H38 0.490507 0.687815 0.73803 0.045 Uiso calc U . R 1 . .
C C39 0.4268(3) 0.65294(14) 0.68275(13) 0.0328(9) Uani d . . . 1 . .
H H39 0.376704 0.670497 0.678296 0.039 Uiso calc U . R 1 . .
C C40 0.4312(2) 0.61701(12) 0.65369(12) 0.0268(8) Uani d . . . 1 . .
C C41 0.3521(2) 0.60574(13) 0.61826(13) 0.0304(8) Uani d . . . 1 . .
H H41 0.363918 0.577807 0.602171 0.036 Uiso calc U . R 1 . .
C C42 0.3274(3) 0.64276(15) 0.58209(14) 0.0391(10) Uani d . . . 1 . .
H H42A 0.319211 0.671174 0.597103 0.059 Uiso calc U . R 1 . .
H H42B 0.274758 0.634357 0.560897 0.059 Uiso calc U . R 1 . .
H H42C 0.372434 0.646355 0.565225 0.059 Uiso calc U . R 1 . .
C C43 0.2782(2) 0.59544(14) 0.64147(14) 0.0332(9) Uani d . . . 1 . .
H H43C 0.294272 0.570913 0.66344 0.05 Uiso calc U . R 1 . .
H H43A 0.228532 0.58651 0.618325 0.05 Uiso calc U . R 1 . .
H H43B 0.264909 0.622337 0.657416 0.05 Uiso calc U . R 1 . .
C C44 0.6590(2) 0.57790(13) 0.70200(13) 0.0300(8) Uani d . . . 1 . .
H H44 0.655864 0.555492 0.676854 0.036 Uiso calc U . R 1 . .
C C45 0.6746(3) 0.55197(15) 0.74735(14) 0.0400(10) Uani d . . . 1 . .
H H45A 0.678092 0.573228 0.772634 0.06 Uiso calc U . R 1 . .
H H45B 0.727726 0.535199 0.751255 0.06 Uiso calc U . R 1 . .
H H45C 0.627896 0.530968 0.74706 0.06 Uiso calc U . R 1 . .
C C46 0.7337(3) 0.60957(15) 0.70102(15) 0.0397(10) Uani d . . . 1 . .
H H46A 0.72546 0.624008 0.671037 0.059 Uiso calc U . R 1 . .
H H46B 0.786399 0.59223 0.70676 0.059 Uiso calc U . R 1 . .
H H46C 0.736935 0.632637 0.724647 0.059 Uiso calc U . R 1 . .
C C47 0.4123(2) 0.46949(13) 0.81483(12) 0.0275(8) Uani d . . . 1 . .
C C48 0.3724(2) 0.48119(13) 0.84924(12) 0.0279(8) Uani d . . . 1 . .
C C49 0.3256(2) 0.45022(14) 0.87640(13) 0.0320(9) Uani d . . . 1 . .
C C50 0.2959(3) 0.48366(14) 0.90843(13) 0.0339(9) Uani d . . . 1 . .
H H50A 0.297061 0.469476 0.938395 0.041 Uiso calc U . R 1 . .
H H50B 0.237409 0.493594 0.895278 0.041 Uiso calc U . R 1 . .
C C51 0.3574(3) 0.52438(15) 0.91407(13) 0.0325(9) Uani d . . . 1 . .
C C52 0.3129(3) 0.56810(14) 0.92341(13) 0.0344(9) Uani d . . . 1 . .
H H52A 0.350587 0.593726 0.922632 0.052 Uiso calc U . R 1 . .
H H52B 0.29889 0.566338 0.953525 0.052 Uiso calc U . R 1 . .
H H52C 0.260965 0.572031 0.900005 0.052 Uiso calc U . R 1 . .
C C53 0.4339(3) 0.51608(17) 0.95247(13) 0.0408(10) Uani d . . . 1 . .
H H53A 0.467227 0.491173 0.94415 0.061 Uiso calc U . R 1 . .
H H53B 0.415113 0.508434 0.98044 0.061 Uiso calc U . R 1 . .
H H53C 0.468826 0.543286 0.957581 0.061 Uiso calc U . R 1 . .
C C54 0.3860(3) 0.41253(14) 0.90157(13) 0.0334(9) Uani d . . . 1 . .
H H54A 0.379697 0.385806 0.881454 0.04 Uiso calc U . R 1 . .
H H54B 0.444873 0.423284 0.905186 0.04 Uiso calc U . R 1 . .
C C55 0.3736(3) 0.39739(16) 0.94855(15) 0.0419(10) Uani d . . . 1 . .
H H55A 0.313684 0.390962 0.946817 0.063 Uiso calc U . R 1 . .
H H55B 0.392227 0.42134 0.970878 0.063 Uiso calc U . R 1 . .
H H55C 0.406989 0.370202 0.957954 0.063 Uiso calc U . R 1 . .
C C56 0.2464(3) 0.42764(15) 0.84500(15) 0.0373(10) Uani d . . . 1 . .
H H56A 0.20913 0.451778 0.829278 0.045 Uiso calc U . R 1 . .
H H56B 0.265952 0.410017 0.821268 0.045 Uiso calc U . R 1 . .
C C57 0.1932(3) 0.39648(17) 0.86871(16) 0.0470(11) Uani d . . . 1 . .
H H57A 0.142284 0.387123 0.846691 0.07 Uiso calc U . R 1 . .
H H57B 0.177028 0.412609 0.893975 0.07 Uiso calc U . R 1 . .
H H57C 0.226565 0.369893 0.880538 0.07 Uiso calc U . R 1 . .
C C58 0.3760(2) 0.56513(13) 0.84259(12) 0.0294(8) Uani d . . . 1 . .
C C59 0.4451(3) 0.59478(15) 0.84888(13) 0.0348(9) Uani d . . . 1 . .
C C60 0.4390(3) 0.63465(14) 0.82385(14) 0.0372(9) Uani d . . . 1 . .
H H60 0.48501 0.655157 0.829397 0.045 Uiso calc U . R 1 . .
C C61 0.3673(3) 0.64498(15) 0.79114(15) 0.0412(10) Uani d . . . 1 . .
H H61 0.364226 0.672136 0.774191 0.049 Uiso calc U . R 1 . .
C C62 0.3005(3) 0.61527(15) 0.78354(14) 0.0361(9) Uani d . . . 1 . .
H H62 0.252193 0.621744 0.760244 0.043 Uiso calc U . R 1 . .
C C63 0.3017(3) 0.57577(14) 0.80913(12) 0.0317(9) Uani d . . . 1 . .
C C64 0.2243(3) 0.54595(15) 0.80061(14) 0.0370(10) Uani d . . . 1 . .
H H64 0.230988 0.524402 0.826717 0.044 Uiso calc U . R 1 . .
C C65 0.1428(3) 0.57175(18) 0.79878(18) 0.0518(12) Uani d . . . 1 . .
H H65A 0.148448 0.590503 0.826117 0.078 Uiso calc U . R 1 . .
H H65B 0.096095 0.550484 0.797465 0.078 Uiso calc U . R 1 . .
H H65C 0.131098 0.590899 0.771575 0.078 Uiso calc U . R 1 . .
C C66 0.2190(3) 0.51814(17) 0.75714(15) 0.0473(11) Uani d . . . 1 . .
H H66A 0.215414 0.538347 0.731011 0.071 Uiso calc U . R 1 . .
H H66B 0.168579 0.499 0.752249 0.071 Uiso calc U . R 1 . .
H H66C 0.269474 0.499262 0.760346 0.071 Uiso calc U . R 1 . .
C C67 0.5291(3) 0.58364(15) 0.88123(13) 0.0344(9) Uani d . . . 1 . .
H H67 0.523537 0.553333 0.894694 0.041 Uiso calc U . R 1 . .
C C68 0.6002(3) 0.58107(16) 0.85510(15) 0.0407(10) Uani d . . . 1 . .
H H68A 0.585775 0.55866 0.830715 0.061 Uiso calc U . R 1 . .
H H68B 0.652907 0.572369 0.876031 0.061 Uiso calc U . R 1 . .
H H68C 0.607347 0.610515 0.841789 0.061 Uiso calc U . R 1 . .
C C69 0.5505(3) 0.61730(18) 0.92032(16) 0.0505(12) Uani d . . . 1 . .
H H69A 0.559788 0.647008 0.908175 0.076 Uiso calc U . R 1 . .
H H69B 0.601821 0.607602 0.941832 0.076 Uiso calc U . R 1 . .
H H69C 0.503541 0.618914 0.936088 0.076 Uiso calc U . R 1 . .
C C70 0.6903(2) 0.37060(13) 0.80891(12) 0.0231(7) Uani d . . . 1 . .
C C71 0.7509(2) 0.38584(12) 0.84460(11) 0.0218(7) Uani d . . . 1 . .
C C72 0.7513(2) 0.42873(13) 0.87306(12) 0.0252(8) Uani d . . . 1 . .
C C73 0.8390(2) 0.42536(14) 0.90634(13) 0.0314(8) Uani d . . . 1 . .
H H73A 0.880267 0.445095 0.895875 0.038 Uiso calc U . R 1 . .
H H73B 0.834669 0.434999 0.937311 0.038 Uiso calc U . R 1 . .
C C74 0.8683(2) 0.37581(14) 0.90719(12) 0.0291(8) Uani d . . . 1 . .
C C75 0.9643(3) 0.37345(16) 0.91543(15) 0.0427(11) Uani d . . . 1 . .
H H75A 0.981846 0.342093 0.913594 0.064 Uiso calc U . R 1 . .
H H75B 0.989092 0.38546 0.945765 0.064 Uiso calc U . R 1 . .
H H75C 0.983734 0.391278 0.892218 0.064 Uiso calc U . R 1 . .
C C76 0.8387(3) 0.34881(15) 0.94438(13) 0.0397(10) Uani d . . . 1 . .
H H76A 0.776943 0.346491 0.936832 0.06 Uiso calc U . R 1 . .
H H76B 0.856842 0.364081 0.973799 0.06 Uiso calc U . R 1 . .
H H76C 0.863448 0.318622 0.94626 0.06 Uiso calc U . R 1 . .
C C77 0.6798(3) 0.42666(14) 0.89983(13) 0.0328(9) Uani d . . . 1 . .
H H77A 0.625299 0.424245 0.877482 0.039 Uiso calc U . R 1 . .
H H77B 0.687058 0.398689 0.918152 0.039 Uiso calc U . R 1 . .
C C78 0.6735(3) 0.46612(16) 0.93192(15) 0.0416(10) Uani d . . . 1 . .
H H78A 0.665694 0.494194 0.914416 0.062 Uiso calc U . R 1 . .
H H78B 0.725552 0.467933 0.955594 0.062 Uiso calc U . R 1 . .
H H78C 0.625255 0.461425 0.946219 0.062 Uiso calc U . R 1 . .
C C79 0.7381(2) 0.47281(13) 0.84410(12) 0.0276(8) Uani d . . . 1 . .
H H79A 0.742886 0.465076 0.812674 0.033 Uiso calc U . R 1 . .
H H79B 0.679525 0.483228 0.842404 0.033 Uiso calc U . R 1 . .
C C80 0.7974(3) 0.51237(14) 0.86014(14) 0.0362(9) Uani d . . . 1 . .
H H80A 0.776911 0.539059 0.841945 0.054 Uiso calc U . R 1 . .
H H80B 0.854419 0.504922 0.856361 0.054 Uiso calc U . R 1 . .
H H80C 0.798914 0.518478 0.892382 0.054 Uiso calc U . R 1 . .
C C81 0.8745(2) 0.34355(13) 0.82928(12) 0.0257(8) Uani d . . . 1 . .
C C82 0.8936(2) 0.29710(13) 0.82844(13) 0.0289(8) Uani d . . . 1 . .
C C83 0.9352(2) 0.28073(15) 0.79550(14) 0.0348(9) Uani d . . . 1 . .
H H83 0.948725 0.249647 0.79538 0.042 Uiso calc U . R 1 . .
C C84 0.9571(2) 0.30843(15) 0.76341(14) 0.0348(9) Uani d . . . 1 . .
H H84 0.983634 0.296587 0.74068 0.042 Uiso calc U . R 1 . .
C C85 0.9398(2) 0.35382(14) 0.76464(14) 0.0317(8) Uani d . . . 1 . .
H H85 0.955036 0.373064 0.742468 0.038 Uiso calc U . R 1 . .
C C86 0.9004(2) 0.37234(14) 0.79768(13) 0.0276(8) Uani d . . . 1 . .
C C87 0.8892(2) 0.42290(14) 0.79708(14) 0.0320(9) Uani d . . . 1 . .
H H87 0.863024 0.431356 0.823157 0.038 Uiso calc U . R 1 . .
C C88 0.9739(3) 0.44784(17) 0.80288(19) 0.0496(12) Uani d . . . 1 . .
H H88A 1.013938 0.43573 0.829371 0.074 Uiso calc U . R 1 . .
H H88B 0.965127 0.47995 0.807536 0.074 Uiso calc U . R 1 . .
H H88C 0.996609 0.443743 0.775431 0.074 Uiso calc U . R 1 . .
C C89 0.8294(3) 0.43747(16) 0.75300(14) 0.0410(10) Uani d . . . 1 . .
H H89A 0.852385 0.427993 0.726849 0.061 Uiso calc U . R 1 . .
H H89B 0.823448 0.470263 0.752723 0.061 Uiso calc U . R 1 . .
H H89C 0.77399 0.423514 0.751096 0.061 Uiso calc U . R 1 . .
C C90 0.8673(2) 0.26344(14) 0.86056(14) 0.0325(9) Uani d . . . 1 . .
H H90 0.834327 0.279727 0.88012 0.039 Uiso calc U . R 1 . .
C C91 0.9435(3) 0.24085(17) 0.89186(17) 0.0479(12) Uani d . . . 1 . .
H H91A 0.975564 0.223833 0.873325 0.072 Uiso calc U . R 1 . .
H H91B 0.923681 0.220397 0.91291 0.072 Uiso calc U . R 1 . .
H H91C 0.979966 0.263915 0.90933 0.072 Uiso calc U . R 1 . .
C C92 0.8100(3) 0.22719(15) 0.83338(16) 0.0414(10) Uani d . . . 1 . .
H H92A 0.760779 0.24151 0.813816 0.062 Uiso calc U . R 1 . .
H H92B 0.791088 0.206522 0.854568 0.062 Uiso calc U . R 1 . .
H H92C 0.841625 0.210424 0.814444 0.062 Uiso calc U . R 1 . .
C C93 0.4570(2) 0.29351(12) 0.81622(12) 0.0246(7) Uani d . . . 1 . .
C C94 0.4144(2) 0.26395(13) 0.83769(12) 0.0265(8) Uani d . . . 1 . .
C C95 0.3240(3) 0.24663(15) 0.82162(14) 0.0366(9) Uani d . . . 1 . .
C C96 0.3121(2) 0.21875(15) 0.86266(15) 0.0369(10) Uani d . . . 1 . .
H H96A 0.321217 0.18649 0.857169 0.044 Uiso calc U . R 1 . .
H H96B 0.253838 0.222521 0.867316 0.044 Uiso calc U . R 1 . .
C C97 0.3760(3) 0.23479(17) 0.90504(14) 0.0394(10) Uani d . . . 1 . .
C C98 0.4036(3) 0.1969(2) 0.93889(19) 0.0652(18) Uani d . . . 1 . .
H H98A 0.42307 0.171395 0.923265 0.098 Uiso calc U . R 1 . .
H H98B 0.355801 0.187545 0.951873 0.098 Uiso calc U . R 1 . .
H H98C 0.44978 0.20742 0.963391 0.098 Uiso calc U . R 1 . .
C C99 0.3366(3) 0.2735(2) 0.92776(19) 0.0664(18) Uani d . . . 1 . .
H H99A 0.374975 0.281906 0.956466 0.1 Uiso calc U . R 1 . .
H H99B 0.282448 0.263684 0.933958 0.1 Uiso calc U . R 1 . .
H H99C 0.327331 0.299545 0.907254 0.1 Uiso calc U . R 1 . .
C C100 0.3138(3) 0.2107(2) 0.78140(18) 0.0583(14) Uani d . . . 1 . .
H H10C 0.349968 0.184673 0.793363 0.07 Uiso calc U . R 1 . .
H H10D 0.254592 0.199911 0.775383 0.07 Uiso calc U . R 1 . .
C C101 0.3321(3) 0.2222(2) 0.73793(19) 0.0592(14) Uani d . . . 1 . .
H H10G 0.319246 0.196528 0.717155 0.089 Uiso calc U . R 1 . .
H H10F 0.392046 0.229988 0.742091 0.089 Uiso calc U . R 1 . .
H H10E 0.297457 0.24802 0.724985 0.089 Uiso calc U . R 1 . .
C C102 0.2611(3) 0.28461(18) 0.8102(2) 0.0612(17) Uani d . . . 1 . .
H H10H 0.267935 0.298167 0.781065 0.073 Uiso calc U . R 1 . .
H H10I 0.27648 0.30792 0.834066 0.073 Uiso calc U . R 1 . .
C C103 0.1666(3) 0.2733(2) 0.8056(3) 0.090(3) Uani d . . . 1 . .
H H10J 0.152123 0.246812 0.785969 0.136 Uiso calc U . R 1 . .
H H10K 0.132096 0.298878 0.791978 0.136 Uiso calc U . R 1 . .
H H10L 0.155643 0.266933 0.835788 0.136 Uiso calc U . R 1 . .
C C104 0.5320(2) 0.23909(13) 0.90230(12) 0.0273(8) Uani d . . . 1 . .
C C105 0.5699(2) 0.20390(14) 0.88258(13) 0.0302(8) Uani d . . . 1 . .
C C106 0.6564(2) 0.19600(15) 0.89707(13) 0.0328(9) Uani d . . . 1 . .
H H106 0.682042 0.172734 0.883105 0.039 Uiso calc U . R 1 . .
C C107 0.7058(3) 0.22161(15) 0.93166(13) 0.0351(9) Uani d . . . 1 . .
H H107 0.764968 0.216599 0.940675 0.042 Uiso calc U . R 1 . .
C C108 0.6675(3) 0.25423(15) 0.95250(13) 0.0341(9) Uani d . . . 1 . .
H H108 0.700622 0.270896 0.97695 0.041 Uiso calc U . R 1 . .
C C109 0.5810(2) 0.26368(14) 0.93881(12) 0.0284(8) Uani d . . . 1 . .
C C110 0.5442(3) 0.30084(14) 0.96276(14) 0.0358(9) Uani d . . . 1 . .
H H110 0.48372 0.304567 0.946861 0.043 Uiso calc U . R 1 . .
C C111 0.5886(3) 0.34572(15) 0.95982(18) 0.0494(12) Uani d . . . 1 . .
H H11D 0.647259 0.343779 0.976975 0.074 Uiso calc U . R 1 . .
H H11E 0.559213 0.369536 0.972778 0.074 Uiso calc U . R 1 . .
H H11F 0.587837 0.352625 0.927807 0.074 Uiso calc U . R 1 . .
C C112 0.5460(3) 0.28936(18) 1.01299(16) 0.0515(12) Uani d . . . 1 . .
H H11G 0.517442 0.260562 1.01461 0.077 Uiso calc U . R 1 . .
H H11H 0.517005 0.31303 1.026384 0.077 Uiso calc U . R 1 . .
H H11I 0.604795 0.287183 1.029925 0.077 Uiso calc U . R 1 . .
C C113 0.5203(3) 0.17319(15) 0.84658(14) 0.0371(9) Uani d . . . 1 . .
H H113 0.459185 0.181197 0.842606 0.045 Uiso calc U . R 1 . .
C C114 0.5301(3) 0.12351(16) 0.86089(19) 0.0540(13) Uani d . . . 1 . .
H H11J 0.588201 0.113746 0.861755 0.081 Uiso calc U . R 1 . .
H H11K 0.490804 0.105156 0.83883 0.081 Uiso calc U . R 1 . .
H H11L 0.517641 0.119965 0.891221 0.081 Uiso calc U . R 1 . .
C C115 0.5449(3) 0.18040(19) 0.80050(15) 0.0519(13) Uani d . . . 1 . .
H H11M 0.534951 0.211854 0.791131 0.078 Uiso calc U . R 1 . .
H H11N 0.51058 0.16078 0.777499 0.078 Uiso calc U . R 1 . .
H H11O 0.604817 0.173176 0.803443 0.078 Uiso calc U . R 1 . .
C C116 0.5745(2) 0.31634(13) 0.66036(12) 0.0252(8) Uani d . . . 1 . .
C C117 0.5628(2) 0.28751(13) 0.62437(12) 0.0251(8) Uani d . . . 1 . .
C C118 0.4792(2) 0.27013(14) 0.59535(13) 0.0293(8) Uani d . . . 1 . .
C C119 0.5099(2) 0.24229(14) 0.55863(13) 0.0309(8) Uani d . . . 1 . .
H H11P 0.514291 0.210128 0.567332 0.037 Uiso calc U . R 1 . .
H H11Q 0.46958 0.245168 0.528882 0.037 Uiso calc U . R 1 . .
C C120 0.5970(2) 0.26058(14) 0.55517(12) 0.0296(8) Uani d . . . 1 . .
C C121 0.6502(3) 0.22389(16) 0.53993(14) 0.0408(10) Uani d . . . 1 . .
H H12A 0.705769 0.236065 0.538563 0.061 Uiso calc U . R 1 . .
H H12B 0.621886 0.213022 0.509658 0.061 Uiso calc U . R 1 . .
H H12C 0.657161 0.198936 0.561745 0.061 Uiso calc U . R 1 . .
C C122 0.5863(2) 0.29974(14) 0.52118(12) 0.0320(9) Uani d . . . 1 . .
H H12D 0.556827 0.324554 0.53255 0.048 Uiso calc U . R 1 . .
H H12E 0.55332 0.289713 0.491557 0.048 Uiso calc U . R 1 . .
H H12F 0.642078 0.309991 0.517701 0.048 Uiso calc U . R 1 . .
C C123 0.4200(2) 0.31052(14) 0.57506(14) 0.0330(9) Uani d . . . 1 . .
H H12G 0.382139 0.316813 0.59613 0.04 Uiso calc U . R 1 . .
H H12H 0.456034 0.33741 0.57501 0.04 Uiso calc U . R 1 . .
C C124 0.3652(3) 0.30507(16) 0.52706(14) 0.0394(10) Uani d . . . 1 . .
H H12I 0.40102 0.306079 0.504643 0.059 Uiso calc U . R 1 . .
H H12J 0.32368 0.329498 0.520957 0.059 Uiso calc U . R 1 . .
H H12K 0.335644 0.276127 0.524838 0.059 Uiso calc U . R 1 . .
C C125 0.4316(3) 0.23944(15) 0.62290(15) 0.0412(10) Uani d . . . 1 . .
H H12L 0.468718 0.213641 0.634447 0.049 Uiso calc U . R 1 . .
H H12M 0.42276 0.256535 0.649775 0.049 Uiso calc U . R 1 . .
C C126 0.3459(3) 0.22084(18) 0.59784(19) 0.0563(14) Uani d . . . 1 . .
H H12N 0.352367 0.205733 0.569779 0.084 Uiso calc U . R 1 . .
H H12O 0.305442 0.245614 0.590173 0.084 Uiso calc U . R 1 . .
H H12P 0.325078 0.19929 0.617532 0.084 Uiso calc U . R 1 . .
C C127 0.7119(3) 0.26192(15) 0.62739(13) 0.0338(9) Uani d . . . 1 . .
C C128 0.7846(2) 0.28648(16) 0.62286(15) 0.0393(10) Uani d . . . 1 . .
C C129 0.8646(3) 0.27143(19) 0.64524(18) 0.0543(14) Uani d . . . 1 . .
H H129 0.913434 0.286856 0.640602 0.065 Uiso calc U . R 1 . .
C C130 0.8742(4) 0.2346(2) 0.6739(2) 0.073(2) Uani d . . . 1 . .
H H130 0.928825 0.225194 0.689545 0.087 Uiso calc U . R 1 . .
C C131 0.8034(4) 0.21176(19) 0.67955(19) 0.0654(17) Uani d . . . 1 . .
H H131 0.80983 0.186893 0.699862 0.078 Uiso calc U . R 1 . .
C C132 0.7219(3) 0.22411(16) 0.65615(15) 0.0429(11) Uani d . . . 1 . .
C C133 0.6481(3) 0.19550(16) 0.66219(16) 0.0478(12) Uani d . . . 1 . .
H H133 0.598954 0.203775 0.637209 0.057 Uiso calc U . R 1 . .
C C134 0.6636(4) 0.14488(18) 0.65777(19) 0.0633(15) Uani d . . . 1 . .
H H13A 0.6768 0.138724 0.628 0.095 Uiso calc U . R 1 . .
H H13B 0.612778 0.128189 0.660463 0.095 Uiso calc U . R 1 . .
H H13C 0.71114 0.135435 0.682042 0.095 Uiso calc U . R 1 . .
C C135 0.6231(4) 0.2060(2) 0.70762(17) 0.0677(17) Uani d . . . 1 . .
H H13D 0.671055 0.199784 0.732944 0.102 Uiso calc U . R 1 . .
H H13E 0.575041 0.187131 0.710637 0.102 Uiso calc U . R 1 . .
H H13F 0.6073 0.23775 0.708254 0.102 Uiso calc U . R 1 . .
C C136 0.7798(2) 0.32937(17) 0.59603(15) 0.0403(10) Uani d . . . 1 . .
H H136 0.718656 0.336954 0.585179 0.048 Uiso calc U . R 1 . .
C C137 0.8181(3) 0.3248(2) 0.55357(17) 0.0594(15) Uani d . . . 1 . .
H H13G 0.879386 0.320568 0.563114 0.089 Uiso calc U . R 1 . .
H H13H 0.806306 0.352064 0.534987 0.089 Uiso calc U . R 1 . .
H H13I 0.793078 0.298761 0.53557 0.089 Uiso calc U . R 1 . .
C C138 0.8213(3) 0.36832(17) 0.62626(16) 0.0447(11) Uani d . . . 1 . .
H H13J 0.793132 0.372204 0.651801 0.067 Uiso calc U . R 1 . .
H H13K 0.816001 0.39604 0.608218 0.067 Uiso calc U . R 1 . .
H H13L 0.881221 0.361595 0.638082 0.067 Uiso calc U . R 1 . .
C C139 1.0595(5) 0.5985(3) 0.9155(3) 0.102(3) Uani d . . . 1 . .
H H13M 1.033749 0.60992 0.884987 0.153 Uiso calc U . R 1 . .
H H13N 1.119257 0.607154 0.923295 0.153 Uiso calc U . R 1 . .
H H13O 1.030203 0.611368 0.937833 0.153 Uiso calc U . R 1 . .
C C140 1.0525(4) 0.5496(3) 0.9158(2) 0.086(2) Uani d . . . 1 . .
H H14A 1.075889 0.537352 0.890465 0.103 Uiso calc U . R 1 . .
H H14B 0.991892 0.541466 0.909895 0.103 Uiso calc U . R 1 . .
C C141 1.0963(5) 0.5278(3) 0.9589(2) 0.093(3) Uani d . . . 1 . .
H H14C 1.156502 0.536661 0.964394 0.112 Uiso calc U . R 1 . .
H H14D 1.072986 0.540979 0.983841 0.112 Uiso calc U . R 1 . .
C C142 1.0935(5) 0.4794(3) 0.9634(2) 0.091(2) Uani d . . . 1 . .
H H14E 1.109124 0.466213 0.93609 0.109 Uiso calc U . R 1 . .
H H14F 1.034015 0.470982 0.962242 0.109 Uiso calc U . R 1 . .
C C143 1.1457(7) 0.4574(4) 1.0036(3) 0.163(6) Uani d . . . 1 . .
H H14G 1.131208 0.472423 1.030326 0.196 Uiso calc U . R 1 . .
H H14H 1.204653 0.466063 1.003677 0.196 Uiso calc U . R 1 . .
C C144 1.1486(6) 0.4089(3) 1.0143(3) 0.120(3) Uani d . . . 1 . .
H H14I 1.165084 0.392168 0.989436 0.18 Uiso calc U . R 1 . .
H H14J 1.092727 0.398859 1.017652 0.18 Uiso calc U . R 1 . .
H H14K 1.190037 0.403531 1.042767 0.18 Uiso calc U . R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Na1 O12 . . 145.01(11) ?
O2 Na1 O4 . . 95.47(10) ?
O12 Na1 O4 . . 101.39(10) ?
O2 Na1 O1 . . 53.97(9) ?
O12 Na1 O1 . . 92.32(10) ?
O4 Na1 O1 . . 102.12(9) ?
O2 Na1 C1 . . 29.04(10) ?
O12 Na1 C1 . . 116.08(11) ?
O4 Na1 C1 . . 111.16(11) ?
O1 Na1 C1 . . 29.23(9) ?
O2 Na1 Na3 . . 55.07(8) ?
O12 Na1 Na3 . . 113.01(9) ?
O4 Na1 Na3 . . 54.23(7) ?
O1 Na1 Na3 . . 50.04(7) ?
C1 Na1 Na3 . . 58.39(8) ?
O2 Na1 Na6 . . 140.69(9) ?
O12 Na1 Na6 . . 56.84(8) ?
O4 Na1 Na6 . . 46.93(7) ?
O1 Na1 Na6 . . 114.80(7) ?
C1 Na1 Na6 . . 141.44(9) ?
Na3 Na1 Na6 . . 88.09(5) ?
O2 Na1 Na11 . . 97.54(8) ?
O12 Na1 Na11 . . 47.48(7) ?
O4 Na1 Na11 . . 117.06(8) ?
O1 Na1 Na11 . . 46.49(7) ?
C1 Na1 Na11 . . 68.71(9) ?
Na3 Na1 Na11 . . 86.07(5) ?
Na6 Na1 Na11 . . 92.44(5) ?
O2 Na1 C24 . . 77.24(10) ?
O12 Na1 C24 . . 125.30(10) ?
O4 Na1 C24 . . 24.42(8) ?
O1 Na1 C24 . . 103.45(10) ?
C1 Na1 C24 . . 100.18(11) ?
Na3 Na1 C24 . . 54.02(7) ?
Na6 Na1 C24 . . 69.10(8) ?
Na11 Na1 C24 . . 135.07(8) ?
O2 Na1 Na2 . . 34.97(7) ?
O12 Na1 Na2 . . 170.53(9) ?
O4 Na1 Na2 . . 70.84(7) ?
O1 Na1 Na2 . . 84.29(7) ?
C1 Na1 Na2 . . 63.71(8) ?
Na3 Na1 Na2 . . 58.25(4) ?
Na6 Na1 Na2 . . 116.76(6) ?
Na11 Na1 Na2 . . 130.57(6) ?
C24 Na1 Na2 . . 47.67(7) ?
O2 Na1 Na10 . . 131.17(8) ?
O12 Na1 Na10 . . 28.17(7) ?
O4 Na1 Na10 . . 79.88(7) ?
O1 Na1 Na10 . . 79.27(6) ?
C1 Na1 Na10 . . 108.15(9) ?
Na3 Na1 Na10 . . 85.68(5) ?
Na6 Na1 Na10 . . 45.51(4) ?
Na11 Na1 Na10 . . 46.93(4) ?
C24 Na1 Na10 . . 104.09(7) ?
Na2 Na1 Na10 . . 142.42(5) ?
O2 Na2 O3 . . 92.83(10) ?
O2 Na2 C24 . . 87.02(11) ?
O3 Na2 C24 . . 29.22(9) ?
O2 Na2 C25 . . 104.86(10) ?
O3 Na2 C25 . . 48.83(9) ?
C24 Na2 C25 . . 26.21(10) ?
O2 Na2 C43 . . 138.20(12) ?
O3 Na2 C43 . . 81.21(11) ?
C24 Na2 C43 . . 104.55(12) ?
C25 Na2 C43 . . 101.85(11) ?
O2 Na2 Na3 . . 50.99(8) ?
O3 Na2 Na3 . . 44.53(7) ?
C24 Na2 Na3 . . 54.58(8) ?
C25 Na2 Na3 . . 80.73(7) ?
C43 Na2 Na3 . . 103.73(9) ?
O2 Na2 Na1 . . 36.27(7) ?
O3 Na2 Na1 . . 75.32(8) ?
C24 Na2 Na1 . . 56.96(8) ?
C25 Na2 Na1 . . 69.38(8) ?
C43 Na2 Na1 . . 154.69(9) ?
Na3 Na2 Na1 . . 52.23(4) ?
O3 Na3 O6 . . 126.45(11) ?
O3 Na3 O1 . . 138.02(10) ?
O6 Na3 O1 . . 93.87(10) ?
O3 Na3 O4 . . 56.88(9) ?
O6 Na3 O4 . . 106.26(10) ?
O1 Na3 O4 . . 105.10(10) ?
O3 Na3 O2 . . 84.87(9) ?
O6 Na3 O2 . . 148.14(11) ?
O1 Na3 O2 . . 54.28(9) ?
O4 Na3 O2 . . 85.05(8) ?
O3 Na3 C24 . . 28.48(10) ?
O6 Na3 C24 . . 124.36(11) ?
O1 Na3 C24 . . 121.18(11) ?
O4 Na3 C24 . . 29.13(9) ?
O2 Na3 C24 . . 79.47(9) ?
O3 Na3 O5 . . 76.10(9) ?
O6 Na3 O5 . . 51.41(9) ?
O1 Na3 O5 . . 145.26(10) ?
O4 Na3 O5 . . 88.35(9) ?
O2 Na3 O5 . . 160.41(10) ?
C24 Na3 O5 . . 85.81(10) ?
O3 Na3 C1 . . 112.73(11) ?
O6 Na3 C1 . . 120.81(11) ?
O1 Na3 C1 . . 28.99(9) ?
O4 Na3 C1 . . 104.33(10) ?
O2 Na3 C1 . . 28.34(9) ?
C24 Na3 C1 . . 106.44(11) ?
O5 Na3 C1 . . 167.08(10) ?
O3 Na3 C47 . . 102.70(11) ?
O6 Na3 C47 . . 27.91(10) ?
O1 Na3 C47 . . 119.23(11) ?
O4 Na3 C47 . . 107.32(10) ?
O2 Na3 C47 . . 167.57(11) ?
C24 Na3 C47 . . 111.87(11) ?
O5 Na3 C47 . . 27.12(9) ?
C1 Na3 C47 . . 141.54(12) ?
O3 Na3 Na5 . . 75.02(8) ?
O6 Na3 Na5 . . 61.28(8) ?
O1 Na3 Na5 . . 124.77(8) ?
O4 Na3 Na5 . . 49.35(6) ?
O2 Na3 Na5 . . 134.08(8) ?
C24 Na3 Na5 . . 63.22(8) ?
O5 Na3 Na5 . . 44.81(6) ?
C1 Na3 Na5 . . 144.79(9) ?
C47 Na3 Na5 . . 58.14(8) ?
O3 Na3 Na12 . . 172.43(9) ?
O6 Na3 Na12 . . 46.81(8) ?
O1 Na3 Na12 . . 47.62(7) ?
O4 Na3 Na12 . . 119.19(8) ?
O2 Na3 Na12 . . 101.53(8) ?
C24 Na3 Na12 . . 148.28(10) ?
O5 Na3 Na12 . . 97.79(7) ?
C1 Na3 Na12 . . 74.07(9) ?
C47 Na3 Na12 . . 71.72(9) ?
Na5 Na3 Na12 . . 97.52(6) ?
O3 Na3 Na1 . . 88.57(8) ?
O6 Na3 Na1 . . 120.06(9) ?
O1 Na3 Na1 . . 57.57(7) ?
O4 Na3 Na1 . . 49.79(7) ?
O2 Na3 Na1 . . 46.50(7) ?
C24 Na3 Na1 . . 64.47(8) ?
O5 Na3 Na1 . . 135.88(8) ?
C1 Na3 Na1 . . 55.83(8) ?
C47 Na3 Na1 . . 142.17(9) ?
Na5 Na3 Na1 . . 91.46(5) ?
Na12 Na3 Na1 . . 92.94(6) ?
O5 Na4 O3 . . 89.23(11) ?
O5 Na4 C62 . . 104.64(11) ?
O3 Na4 C62 . . 134.62(12) ?
O5 Na4 C63 . . 78.82(11) ?
O3 Na4 C63 . . 131.38(12) ?
C62 Na4 C63 . . 26.08(11) ?
O5 Na4 Na3 . . 54.38(8) ?
O3 Na4 Na3 . . 41.35(7) ?
C62 Na4 Na3 . . 116.49(10) ?
C63 Na4 Na3 . . 98.16(9) ?
O5 Na4 Na5 . . 37.51(7) ?
O3 Na4 Na5 . . 64.50(7) ?
C62 Na4 Na5 . . 142.10(9) ?
C63 Na4 Na5 . . 116.33(9) ?
Na3 Na4 Na5 . . 51.05(4) ?
O5 Na5 O7 . . 138.85(12) ?
O5 Na5 O4 . . 109.32(11) ?
O7 Na5 O4 . . 96.54(10) ?
O5 Na5 O6 . . 52.67(10) ?
O7 Na5 O6 . . 92.49(10) ?
O4 Na5 O6 . . 100.01(9) ?
O5 Na5 C47 . . 26.89(11) ?
O7 Na5 C47 . . 113.13(11) ?
O4 Na5 C47 . . 114.07(11) ?
O6 Na5 C47 . . 27.87(10) ?
O5 Na5 Na3 . . 62.91(8) ?
O7 Na5 Na3 . . 113.34(9) ?
O4 Na5 Na3 . . 55.07(7) ?
O6 Na5 Na3 . . 48.86(6) ?
C47 Na5 Na3 . . 59.19(8) ?
O5 Na5 Na6 . . 152.46(10) ?
O7 Na5 Na6 . . 50.57(7) ?
O4 Na5 Na6 . . 47.73(7) ?
O6 Na5 Na6 . . 110.15(8) ?
C47 Na5 Na6 . . 137.65(10) ?
Na3 Na5 Na6 . . 89.55(5) ?
O5 Na5 C24 . . 91.47(11) ?
O7 Na5 C24 . . 120.96(11) ?
O4 Na5 C24 . . 25.39(9) ?
O6 Na5 C24 . . 103.88(9) ?
C47 Na5 C24 . . 105.91(11) ?
Na3 Na5 C24 . . 55.11(7) ?
Na6 Na5 C24 . . 70.64(8) ?
O5 Na5 Na7 . . 89.12(9) ?
O7 Na5 Na7 . . 50.45(7) ?
O4 Na5 Na7 . . 114.72(9) ?
O6 Na5 Na7 . . 44.67(6) ?
C47 Na5 Na7 . . 62.73(9) ?
Na3 Na5 Na7 . . 85.49(5) ?
Na6 Na5 Na7 . . 89.08(6) ?
C24 Na5 Na7 . . 134.42(9) ?
O5 Na5 Na4 . . 37.49(8) ?
O7 Na5 Na4 . . 175.36(9) ?
O4 Na5 Na4 . . 83.74(7) ?
O6 Na5 Na4 . . 82.91(7) ?
C47 Na5 Na4 . . 62.74(8) ?
Na3 Na5 Na4 . . 63.06(5) ?
Na6 Na5 Na4 . . 130.65(6) ?
C24 Na5 Na4 . . 60.01(7) ?
Na7 Na5 Na4 . . 125.27(6) ?
O11 Na6 O4 . . 139.20(11) ?
O11 Na6 O7 . . 117.09(11) ?
O4 Na6 O7 . . 95.58(10) ?
O11 Na6 O12 . . 55.44(9) ?
O4 Na6 O12 . . 94.85(9) ?
O7 Na6 O12 . . 104.44(10) ?
O11 Na6 C116 . . 27.70(10) ?
O4 Na6 C116 . . 115.00(11) ?
O7 Na6 C116 . . 120.27(11) ?
O12 Na6 C116 . . 29.27(9) ?
O11 Na6 Na10 . . 70.16(9) ?
O4 Na6 Na10 . . 114.23(8) ?
O7 Na6 Na10 . . 57.89(7) ?
O12 Na6 Na10 . . 49.88(6) ?
C116 Na6 Na10 . . 62.85(9) ?
O11 Na6 Na5 . . 161.88(10) ?
O4 Na6 Na5 . . 50.22(7) ?
O7 Na6 Na5 . . 47.08(7) ?
O12 Na6 Na5 . . 114.99(8) ?
C116 Na6 Na5 . . 144.17(9) ?
Na10 Na6 Na5 . . 91.91(5) ?
O11 Na6 C70 . . 96.33(11) ?
O4 Na6 C70 . . 120.45(10) ?
O7 Na6 C70 . . 25.68(9) ?
O12 Na6 C70 . . 106.09(10) ?
C116 Na6 C70 . . 109.18(11) ?
Na10 Na6 C70 . . 56.46(8) ?
Na5 Na6 C70 . . 70.52(8) ?
O11 Na6 Na1 . . 91.25(8) ?
O4 Na6 Na1 . . 50.51(7) ?
O7 Na6 Na1 . . 116.62(8) ?
O12 Na6 Na1 . . 46.49(6) ?
C116 Na6 Na1 . . 64.82(8) ?
Na10 Na6 Na1 . . 86.65(5) ?
Na5 Na6 Na1 . . 90.24(5) ?
C70 Na6 Na1 . . 136.27(9) ?
O11 Na6 Na8 . . 38.72(7) ?
O4 Na6 Na8 . . 177.91(9) ?
O7 Na6 Na8 . . 86.28(7) ?
O12 Na6 Na8 . . 83.72(7) ?
C116 Na6 Na8 . . 63.11(8) ?
Na10 Na6 Na8 . . 65.96(5) ?
Na5 Na6 Na8 . . 131.81(6) ?
C70 Na6 Na8 . . 61.51(8) ?
Na1 Na6 Na8 . . 127.71(6) ?
O11 Na6 Na3 . . 131.85(9) ?
O4 Na6 Na3 . . 29.64(7) ?
O7 Na6 Na3 . . 77.69(7) ?
O12 Na6 Na3 . . 76.81(6) ?
C116 Na6 Na3 . . 104.28(8) ?
Na10 Na6 Na3 . . 84.67(5) ?
Na5 Na6 Na3 . . 44.95(4) ?
C70 Na6 Na3 . . 102.98(8) ?
Na1 Na6 Na3 . . 45.62(4) ?
Na8 Na6 Na3 . . 150.63(5) ?
O9 Na7 O6 . . 139.12(12) ?
O9 Na7 O7 . . 93.85(10) ?
O6 Na7 O7 . . 103.87(11) ?
O9 Na7 C93 . . 29.12(10) ?
O6 Na7 C93 . . 110.38(11) ?
O7 Na7 C93 . . 110.85(11) ?
O9 Na7 O10 . . 51.81(9) ?
O6 Na7 O10 . . 88.49(10) ?
O7 Na7 O10 . . 100.38(9) ?
C93 Na7 O10 . . 28.45(9) ?
O9 Na7 Na5 . . 137.55(9) ?
O6 Na7 Na5 . . 60.96(8) ?
O7 Na7 Na5 . . 46.08(7) ?
C93 Na7 Na5 . . 139.56(10) ?
O10 Na7 Na5 . . 113.17(7) ?
O9 Na7 Na10 . . 51.43(8) ?
O6 Na7 Na10 . . 111.30(9) ?
O7 Na7 Na10 . . 55.42(7) ?
C93 Na7 Na10 . . 56.60(9) ?
O10 Na7 Na10 . . 47.30(6) ?
Na5 Na7 Na10 . . 88.25(5) ?
O9 Na7 C47 . . 159.88(11) ?
O6 Na7 C47 . . 23.31(10) ?
O7 Na7 C47 . . 101.23(10) ?
C93 Na7 C47 . . 130.99(11) ?
O10 Na7 C47 . . 111.65(10) ?
Na5 Na7 C47 . . 55.19(8) ?
Na10 Na7 C47 . . 129.22(9) ?
O9 Na7 C70 . . 75.92(10) ?
O6 Na7 C70 . . 128.04(11) ?
O7 Na7 C70 . . 24.28(9) ?
C93 Na7 C70 . . 99.82(11) ?
O10 Na7 C70 . . 101.06(10) ?
Na5 Na7 C70 . . 68.50(8) ?
Na10 Na7 C70 . . 54.17(7) ?
C47 Na7 C70 . . 122.09(11) ?
O9 Na7 Na12 . . 94.19(8) ?
O6 Na7 Na12 . . 44.93(8) ?
O7 Na7 Na12 . . 115.62(8) ?
C93 Na7 Na12 . . 65.70(8) ?
O10 Na7 Na12 . . 44.87(6) ?
Na5 Na7 Na12 . . 93.01(5) ?
Na10 Na7 Na12 . . 82.88(5) ?
C47 Na7 Na12 . . 67.33(8) ?
C70 Na7 Na12 . . 132.23(9) ?
O9 Na7 Na9 . . 36.00(7) ?
O6 Na7 Na9 . . 168.93(9) ?
O7 Na7 Na9 . . 70.02(7) ?
C93 Na7 Na9 . . 65.06(8) ?
O10 Na7 Na9 . . 83.70(7) ?
Na5 Na7 Na9 . . 115.23(5) ?
Na10 Na7 Na9 . . 57.65(4) ?
C47 Na7 Na9 . . 163.87(9) ?
C70 Na7 Na9 . . 46.74(7) ?
Na12 Na7 Na9 . . 128.43(6) ?
O9 Na7 Na3 . . 127.41(9) ?
O6 Na7 Na3 . . 28.53(7) ?
O7 Na7 Na3 . . 79.86(7) ?
C93 Na7 Na3 . . 105.66(9) ?
O10 Na7 Na3 . . 77.82(6) ?
Na5 Na7 Na3 . . 46.37(4) ?
Na10 Na7 Na3 . . 85.07(5) ?
C47 Na7 Na3 . . 44.50(7) ?
C70 Na7 Na3 . . 103.73(8) ?
Na12 Na7 Na3 . . 46.67(4) ?
Na9 Na7 Na3 . . 140.99(5) ?
O11 Na8 O8 . . 91.57(10) ?
O11 Na8 Na6 . . 39.03(8) ?
O8 Na8 Na6 . . 62.58(7) ?
O11 Na8 Na10 . . 58.94(8) ?
O8 Na8 Na10 . . 39.56(7) ?
Na6 Na8 Na10 . . 50.15(4) ?
O9 Na9 O8 . . 90.71(10) ?
O9 Na9 C70 . . 86.77(11) ?
O8 Na9 C70 . . 30.01(10) ?
O9 Na9 C71 . . 106.40(11) ?
O8 Na9 C71 . . 50.68(9) ?
C70 Na9 C71 . . 27.28(10) ?
O9 Na9 N4 . . 134.21(11) ?
O8 Na9 N4 . . 59.86(9) ?
C70 Na9 N4 . . 49.75(9) ?
C71 Na9 N4 . . 27.88(8) ?
O9 Na9 C107 . . 109.34(11) ?
O8 Na9 C107 . . 149.96(12) ?
C70 Na9 C107 . . 162.50(12) ?
C71 Na9 C107 . . 135.97(11) ?
N4 Na9 C107 . . 112.85(10) ?
O9 Na9 Na10 . . 48.71(7) ?
O8 Na9 Na10 . . 44.54(7) ?
C70 Na9 Na10 . . 56.13(8) ?
C71 Na9 Na10 . . 83.38(8) ?
N4 Na9 Na10 . . 102.37(7) ?
C107 Na9 Na10 . . 140.23(10) ?
O9 Na9 Na7 . . 36.80(8) ?
O8 Na9 Na7 . . 76.16(7) ?
C70 Na9 Na7 . . 57.92(8) ?
C71 Na9 Na7 . . 71.04(8) ?
N4 Na9 Na7 . . 98.75(7) ?
C107 Na9 Na7 . . 132.93(9) ?
Na10 Na9 Na7 . . 53.62(4) ?
O8 Na10 O12 . . 120.45(11) ?
O8 Na10 O10 . . 142.78(11) ?
O12 Na10 O10 . . 94.54(10) ?
O8 Na10 O9 . . 87.63(9) ?
O12 Na10 O9 . . 150.75(10) ?
O10 Na10 O9 . . 56.32(9) ?
O8 Na10 O7 . . 55.50(9) ?
O12 Na10 O7 . . 104.49(10) ?
O10 Na10 O7 . . 106.67(10) ?
O9 Na10 O7 . . 84.00(9) ?
O8 Na10 C93 . . 116.28(11) ?
O12 Na10 C93 . . 123.07(11) ?
O10 Na10 C93 . . 29.52(9) ?
O9 Na10 C93 . . 28.88(9) ?
O7 Na10 C93 . . 103.11(10) ?
O8 Na10 C70 . . 27.95(10) ?
O12 Na10 C70 . . 121.07(11) ?
O10 Na10 C70 . . 123.60(11) ?
O9 Na10 C70 . . 79.39(10) ?
O7 Na10 C70 . . 28.70(9) ?
C93 Na10 C70 . . 106.58(11) ?
O8 Na10 Na6 . . 72.68(8) ?
O12 Na10 Na6 . . 58.21(8) ?
O10 Na10 Na6 . . 123.60(9) ?
O9 Na10 Na6 . . 133.09(9) ?
O7 Na10 Na6 . . 49.61(7) ?
C93 Na10 Na6 . . 142.49(10) ?
C70 Na10 Na6 . . 63.21(8) ?
O8 Na10 C116 . . 98.40(10) ?
O12 Na10 C116 . . 26.72(9) ?
O10 Na10 C116 . . 118.60(10) ?
O9 Na10 C116 . . 170.41(12) ?
O7 Na10 C116 . . 105.55(10) ?
C93 Na10 C116 . . 143.63(11) ?
C70 Na10 C116 . . 109.35(11) ?
Na6 Na10 C116 . . 56.30(8) ?
O8 Na10 Na11 . . 167.78(9) ?
O12 Na10 Na11 . . 47.91(7) ?
O10 Na10 Na11 . . 47.27(7) ?
O9 Na10 Na11 . . 103.40(8) ?
O7 Na10 Na11 . . 119.68(8) ?
C93 Na10 Na11 . . 75.16(8) ?
C70 Na10 Na11 . . 148.38(10) ?
Na6 Na10 Na11 . . 95.67(5) ?
C116 Na10 Na11 . . 71.40(8) ?
O8 Na10 O11 . . 73.38(9) ?
O12 Na10 O11 . . 48.28(8) ?
O10 Na10 O11 . . 142.80(9) ?
O9 Na10 O11 . . 160.85(9) ?
O7 Na10 O11 . . 87.14(9) ?
C93 Na10 O11 . . 168.70(11) ?
C70 Na10 O11 . . 84.69(9) ?
Na6 Na10 O11 . . 43.61(6) ?
C116 Na10 O11 . . 25.50(9) ?
Na11 Na10 O11 . . 95.74(7) ?
O8 Na10 Na7 . . 88.65(8) ?
O12 Na10 Na7 . . 120.68(9) ?
O10 Na10 Na7 . . 60.56(8) ?
O9 Na10 Na7 . . 46.02(7) ?
O7 Na10 Na7 . . 48.71(6) ?
C93 Na10 Na7 . . 55.40(9) ?
C70 Na10 Na7 . . 63.68(8) ?
Na6 Na10 Na7 . . 90.33(6) ?
C116 Na10 Na7 . . 140.98(9) ?
Na11 Na10 Na7 . . 95.22(5) ?
O11 Na10 Na7 . . 133.46(8) ?
O10 Na11 O12 . . 101.24(10) ?
O10 Na11 O1 . . 97.63(11) ?
O12 Na11 O1 . . 103.72(11) ?
O10 Na11 Na12 . . 49.89(8) ?
O12 Na11 Na12 . . 117.59(9) ?
O1 Na11 Na12 . . 48.81(7) ?
O10 Na11 Na10 . . 51.16(7) ?
O12 Na11 Na10 . . 50.82(7) ?
O1 Na11 Na10 . . 114.12(9) ?
Na12 Na11 Na10 . . 86.90(5) ?
O10 Na11 Na1 . . 117.58(9) ?
O12 Na11 Na1 . . 47.83(7) ?
O1 Na11 Na1 . . 57.89(7) ?
Na12 Na11 Na1 . . 92.97(6) ?
Na10 Na11 Na1 . . 85.25(5) ?
O10 Na11 Na3 . . 82.89(8) ?
O12 Na11 Na3 . . 81.87(8) ?
O1 Na11 Na3 . . 29.38(7) ?
Na12 Na11 Na3 . . 46.41(4) ?
Na10 Na11 Na3 . . 85.11(5) ?
Na1 Na11 Na3 . . 46.58(4) ?
O6 Na12 O1 . . 103.88(11) ?
O6 Na12 O10 . . 103.88(11) ?
O1 Na12 O10 . . 97.08(11) ?
O6 Na12 Na11 . . 119.58(9) ?
O1 Na12 Na11 . . 49.78(8) ?
O10 Na12 Na11 . . 48.36(7) ?
O6 Na12 Na3 . . 51.90(8) ?
O1 Na12 Na3 . . 52.65(8) ?
O10 Na12 Na3 . . 114.14(8) ?
Na11 Na12 Na3 . . 88.00(5) ?
O6 Na12 C11 . . 121.73(13) ?
O1 Na12 C11 . . 72.21(11) ?
O10 Na12 C11 . . 134.36(13) ?
Na11 Na12 C11 . . 101.76(10) ?
Na3 Na12 C11 . . 94.56(11) ?
O6 Na12 Na7 . . 45.55(8) ?
O1 Na12 Na7 . . 118.54(8) ?
O10 Na12 Na7 . . 60.02(8) ?
Na11 Na12 Na7 . . 94.90(5) ?
Na3 Na12 Na7 . . 83.90(5) ?
C11 Na12 Na7 . . 163.22(11) ?
O6 Na12 Na10 . . 82.60(8) ?
O1 Na12 Na10 . . 83.72(8) ?
O10 Na12 Na10 . . 28.73(7) ?
Na11 Na12 Na10 . . 47.06(4) ?
Na3 Na12 Na10 . . 85.86(5) ?
C11 Na12 Na10 . . 148.82(10) ?
Na7 Na12 Na10 . . 47.89(4) ?
C1 O1 Na12 . . 150.5(2) ?
C1 O1 Na11 . . 125.8(2) ?
Na12 O1 Na11 . . 81.41(10) ?
C1 O1 Na3 . . 91.6(2) ?
Na12 O1 Na3 . . 79.73(9) ?
Na11 O1 Na3 . . 123.06(11) ?
C1 O1 Na1 . . 78.04(18) ?
Na12 O1 Na1 . . 124.53(11) ?
Na11 O1 Na1 . . 75.63(9) ?
Na3 O1 Na1 . . 72.39(8) ?
C1 O2 Na2 . . 152.4(2) ?
C1 O2 Na1 . . 96.8(2) ?
Na2 O2 Na1 . . 108.76(11) ?
C1 O2 Na3 . . 88.07(19) ?
Na2 O2 Na3 . . 87.25(10) ?
Na1 O2 Na3 . . 78.43(9) ?
C24 O3 Na4 . . 129.4(2) ?
C24 O3 Na3 . . 97.1(2) ?
Na4 O3 Na3 . . 97.36(10) ?
C24 O3 Na2 . . 93.04(19) ?
Na4 O3 Na2 . . 135.10(12) ?
Na3 O3 Na2 . . 90.01(10) ?
C24 O4 Na6 . . 149.8(2) ?
C24 O4 Na5 . . 107.0(2) ?
Na6 O4 Na5 . . 82.05(9) ?
C24 O4 Na1 . . 109.19(19) ?
Na6 O4 Na1 . . 82.56(9) ?
Na5 O4 Na1 . . 131.52(11) ?
C24 O4 Na3 . . 85.91(19) ?
Na6 O4 Na3 . . 124.21(11) ?
Na5 O4 Na3 . . 75.58(8) ?
Na1 O4 Na3 . . 75.97(8) ?
C47 O5 Na4 . . 141.4(2) ?
C47 O5 Na5 . . 104.6(2) ?
Na4 O5 Na5 . . 104.99(12) ?
C47 O5 Na3 . . 80.5(2) ?
Na4 O5 Na3 . . 85.59(10) ?
Na5 O5 Na3 . . 72.28(9) ?
C47 O6 Na12 . . 148.8(2) ?
C47 O6 Na7 . . 116.0(2) ?
Na12 O6 Na7 . . 89.52(11) ?
C47 O6 Na3 . . 96.6(2) ?
Na12 O6 Na3 . . 81.30(10) ?
Na7 O6 Na3 . . 124.91(12) ?
C47 O6 Na5 . . 78.8(2) ?
Na12 O6 Na5 . . 127.98(11) ?
Na7 O6 Na5 . . 74.37(9) ?
Na3 O6 Na5 . . 69.87(8) ?
C70 O7 Na5 . . 151.4(2) ?
C70 O7 Na6 . . 105.9(2) ?
Na5 O7 Na6 . . 82.35(9) ?
C70 O7 Na7 . . 109.7(2) ?
Na5 O7 Na7 . . 83.46(9) ?
Na6 O7 Na7 . . 128.82(11) ?
C70 O7 Na10 . . 84.2(2) ?
Na5 O7 Na10 . . 124.21(11) ?
Na6 O7 Na10 . . 72.50(8) ?
Na7 O7 Na10 . . 75.87(8) ?
C70 O8 Na10 . . 99.7(2) ?
C70 O8 Na8 . . 130.9(2) ?
Na10 O8 Na8 . . 100.43(10) ?
C70 O8 Na9 . . 87.76(19) ?
Na10 O8 Na9 . . 88.16(10) ?
Na8 O8 Na9 . . 137.05(13) ?
C93 O9 Na9 . . 155.8(2) ?
C93 O9 Na7 . . 96.6(2) ?
Na9 O9 Na7 . . 107.20(12) ?
C93 O9 Na10 . . 90.0(2) ?
Na9 O9 Na10 . . 88.56(10) ?
Na7 O9 Na10 . . 82.54(10) ?
C93 O10 Na11 . . 156.5(2) ?
C93 O10 Na12 . . 120.1(2) ?
Na11 O10 Na12 . . 81.75(10) ?
C93 O10 Na10 . . 91.47(19) ?
Na11 O10 Na10 . . 81.57(9) ?
Na12 O10 Na10 . . 123.63(12) ?
C93 O10 Na7 . . 72.37(19) ?
Na11 O10 Na7 . . 125.43(11) ?
Na12 O10 Na7 . . 75.11(9) ?
Na10 O10 Na7 . . 72.14(8) ?
C116 O11 Na8 . . 138.0(3) ?
C116 O11 Na6 . . 101.5(2) ?
Na8 O11 Na6 . . 102.24(12) ?
C116 O11 Na10 . . 76.1(2) ?
Na8 O11 Na10 . . 82.46(9) ?
Na6 O11 Na10 . . 66.23(8) ?
C116 O12 Na11 . . 147.3(2) ?
C116 O12 Na1 . . 116.4(2) ?
Na11 O12 Na1 . . 84.69(10) ?
C116 O12 Na10 . . 103.0(2) ?
Na11 O12 Na10 . . 81.27(9) ?
Na1 O12 Na10 . . 124.80(12) ?
C116 O12 Na6 . . 82.3(2) ?
Na11 O12 Na6 . . 128.75(12) ?
Na1 O12 Na6 . . 76.67(9) ?
Na10 O12 Na6 . . 71.91(8) ?
C12 N1 C2 . . 125.6(3) ?
C12 N1 C5 . . 123.6(3) ?
C2 N1 C5 . . 109.9(3) ?
C35 N2 C25 . . 119.7(3) ?
C35 N2 C28 . . 120.0(3) ?
C25 N2 C28 . . 108.4(3) ?
C58 N3 C48 . . 122.0(3) ?
C58 N3 C51 . . 122.3(3) ?
C48 N3 C51 . . 109.5(3) ?
C81 N4 C71 . . 118.4(3) ?
C81 N4 C74 . . 120.5(3) ?
C71 N4 C74 . . 108.2(3) ?
C104 N5 C94 . . 121.6(3) ?
C104 N5 C97 . . 123.2(3) ?
C94 N5 C97 . . 110.1(3) ?
C127 N6 C117 . . 122.2(3) ?
C127 N6 C120 . . 121.5(3) ?
C117 N6 C120 . . 109.5(3) ?
O2 C1 O1 . . 113.4(3) ?
O2 C1 C2 . . 122.5(3) ?
O1 C1 C2 . . 124.0(3) ?
C1 C2 N1 . . 122.9(3) ?
C1 C2 C3 . . 128.4(3) ?
N1 C2 C3 . . 107.9(3) ?
C8 C3 C4 . . 112.5(3) ?
C8 C3 C2 . . 112.4(3) ?
C4 C3 C2 . . 102.2(3) ?
C8 C3 C10 . . 111.5(3) ?
C4 C3 C10 . . 105.9(3) ?
C2 C3 C10 . . 111.9(3) ?
C5 C4 C3 . . 108.3(3) ?
C5 C4 H4A . . 110.0 ?
C3 C4 H4A . . 110.0 ?
C5 C4 H4B . . 110.0 ?
C3 C4 H4B . . 110.0 ?
H4A C4 H4B . . 108.4 ?
N1 C5 C7 . . 112.3(3) ?
N1 C5 C4 . . 101.3(3) ?
C7 C5 C4 . . 112.1(3) ?
N1 C5 C6 . . 112.7(3) ?
C7 C5 C6 . . 108.9(3) ?
C4 C5 C6 . . 109.3(3) ?
C5 C6 H6A . . 109.5 ?
C5 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C5 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C5 C7 H7A . . 109.5 ?
C5 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C5 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C3 C8 C9 . . 116.7(4) ?
C3 C8 H8A . . 108.1 ?
C9 C8 H8A . . 108.1 ?
C3 C8 H8B . . 108.1 ?
C9 C8 H8B . . 108.1 ?
H8A C8 H8B . . 107.3 ?
C8 C9 H9A . . 109.5 ?
C8 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C8 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C11 C10 C3 . . 117.2(3) ?
C11 C10 H10A . . 108.0 ?
C3 C10 H10A . . 108.0 ?
C11 C10 H10B . . 108.0 ?
C3 C10 H10B . . 108.0 ?
H10A C10 H10B . . 107.2 ?
C10 C11 H11A . . 109.5 ?
C10 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
C10 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
H11C C11 H11B . . 109.5 ?
C17 C12 C13 . . 119.1(4) ?
C17 C12 N1 . . 121.3(3) ?
C13 C12 N1 . . 119.6(3) ?
C14 C13 C12 . . 119.4(4) ?
C14 C13 C21 . . 119.1(3) ?
C12 C13 C21 . . 121.6(3) ?
C15 C14 C13 . . 121.2(4) ?
C15 C14 H14 . . 119.4 ?
C13 C14 H14 . . 119.4 ?
C16 C15 C14 . . 119.2(4) ?
C16 C15 H15 . . 120.4 ?
C14 C15 H15 . . 120.4 ?
C15 C16 C17 . . 121.7(4) ?
C15 C16 H16 . . 119.1 ?
C17 C16 H16 . . 119.1 ?
C16 C17 C12 . . 119.3(4) ?
C16 C17 C18 . . 118.9(4) ?
C12 C17 C18 . . 121.8(4) ?
C17 C18 C20 . . 110.5(3) ?
C17 C18 C19 . . 113.2(4) ?
C20 C18 C19 . . 110.7(4) ?
C17 C18 H18 . . 107.4 ?
C20 C18 H18 . . 107.4 ?
C19 C18 H18 . . 107.4 ?
C18 C19 H19A . . 109.5 ?
C18 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C18 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C18 C20 H20A . . 109.5 ?
C18 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C18 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
C13 C21 C22 . . 111.7(3) ?
C13 C21 C23 . . 110.7(3) ?
C22 C21 C23 . . 110.4(3) ?
C13 C21 H21 . . 108.0 ?
C22 C21 H21 . . 108.0 ?
C23 C21 H21 . . 108.0 ?
C21 C22 H22A . . 109.5 ?
C21 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C21 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C21 C23 H23A . . 109.5 ?
C21 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C21 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
O3 C24 O4 . . 117.1(3) ?
O3 C24 C25 . . 120.6(3) ?
O4 C24 C25 . . 122.3(3) ?
C24 C25 N2 . . 119.4(3) ?
C24 C25 C26 . . 129.5(3) ?
N2 C25 C26 . . 111.0(3) ?
C25 C26 C31 . . 110.8(3) ?
C25 C26 C27 . . 101.0(3) ?
C31 C26 C27 . . 110.3(3) ?
C25 C26 C33 . . 113.8(3) ?
C31 C26 C33 . . 107.2(3) ?
C27 C26 C33 . . 113.6(3) ?
C28 C27 C26 . . 108.5(3) ?
C28 C27 H27A . . 110.0 ?
C26 C27 H27A . . 110.0 ?
C28 C27 H27B . . 110.0 ?
C26 C27 H27B . . 110.0 ?
H27A C27 H27B . . 108.4 ?
N2 C28 C30 . . 109.1(3) ?
N2 C28 C29 . . 112.7(3) ?
C30 C28 C29 . . 108.8(3) ?
N2 C28 C27 . . 103.3(3) ?
C30 C28 C27 . . 111.8(3) ?
C29 C28 C27 . . 111.1(3) ?
C28 C29 H29A . . 109.5 ?
C28 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
C28 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
C28 C30 H30A . . 109.5 ?
C28 C30 H30B . . 109.5 ?
H30A C30 H30B . . 109.5 ?
C28 C30 H30C . . 109.5 ?
H30A C30 H30C . . 109.5 ?
H30B C30 H30C . . 109.5 ?
C32 C31 C26 . . 116.4(3) ?
C32 C31 H31A . . 108.2 ?
C26 C31 H31A . . 108.2 ?
C32 C31 H31B . . 108.2 ?
C26 C31 H31B . . 108.2 ?
H31A C31 H31B . . 107.3 ?
C31 C32 H32A . . 109.5 ?
C31 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
C31 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
C34 C33 C26 . . 115.9(3) ?
C34 C33 H33A . . 108.3 ?
C26 C33 H33A . . 108.3 ?
C34 C33 H33B . . 108.3 ?
C26 C33 H33B . . 108.3 ?
H33A C33 H33B . . 107.4 ?
C33 C34 H34A . . 109.5 ?
C33 C34 H34B . . 109.5 ?
H34A C34 H34B . . 109.5 ?
C33 C34 H34C . . 109.5 ?
H34A C34 H34C . . 109.5 ?
H34B C34 H34C . . 109.5 ?
C36 C35 C40 . . 119.2(3) ?
C36 C35 N2 . . 123.4(3) ?
C40 C35 N2 . . 117.4(3) ?
C37 C36 C35 . . 118.4(4) ?
C37 C36 C44 . . 118.3(4) ?
C35 C36 C44 . . 123.3(3) ?
C38 C37 C36 . . 122.5(4) ?
C38 C37 H37 . . 118.8 ?
C36 C37 H37 . . 118.8 ?
C39 C38 C37 . . 118.6(4) ?
C39 C38 H38 . . 120.7 ?
C37 C38 H38 . . 120.7 ?
C38 C39 C40 . . 121.0(4) ?
C38 C39 H39 . . 119.5 ?
C40 C39 H39 . . 119.5 ?
C39 C40 C35 . . 120.2(4) ?
C39 C40 C41 . . 117.4(3) ?
C35 C40 C41 . . 122.4(3) ?
C40 C41 C42 . . 112.9(3) ?
C40 C41 C43 . . 110.4(3) ?
C42 C41 C43 . . 110.6(3) ?
C40 C41 H41 . . 107.6 ?
C42 C41 H41 . . 107.6 ?
C43 C41 H41 . . 107.6 ?
C41 C42 H42A . . 109.5 ?
C41 C42 H42B . . 109.5 ?
H42A C42 H42B . . 109.5 ?
C41 C42 H42C . . 109.5 ?
H42A C42 H42C . . 109.5 ?
H42B C42 H42C . . 109.5 ?
C41 C43 H43C . . 109.5 ?
C41 C43 H43A . . 109.5 ?
H43C C43 H43A . . 109.5 ?
C41 C43 H43B . . 109.5 ?
H43C C43 H43B . . 109.5 ?
H43A C43 H43B . . 109.5 ?
C36 C44 C45 . . 110.6(3) ?
C36 C44 C46 . . 112.5(3) ?
C45 C44 C46 . . 110.2(3) ?
C36 C44 H44 . . 107.8 ?
C45 C44 H44 . . 107.8 ?
C46 C44 H44 . . 107.8 ?
C44 C45 H45A . . 109.5 ?
C44 C45 H45B . . 109.5 ?
H45A C45 H45B . . 109.5 ?
C44 C45 H45C . . 109.5 ?
H45A C45 H45C . . 109.5 ?
H45B C45 H45C . . 109.5 ?
C44 C46 H46A . . 109.5 ?
C44 C46 H46B . . 109.5 ?
H46A C46 H46B . . 109.5 ?
C44 C46 H46C . . 109.5 ?
H46A C46 H46C . . 109.5 ?
H46B C46 H46C . . 109.5 ?
O5 C47 O6 . . 115.4(3) ?
O5 C47 C48 . . 122.0(4) ?
O6 C47 C48 . . 122.6(4) ?
C47 C48 N3 . . 121.3(4) ?
C47 C48 C49 . . 127.8(4) ?
N3 C48 C49 . . 110.2(3) ?
C50 C49 C48 . . 101.6(3) ?
C50 C49 C56 . . 109.2(3) ?
C48 C49 C56 . . 111.8(3) ?
C50 C49 C54 . . 114.1(3) ?
C48 C49 C54 . . 110.8(3) ?
C56 C49 C54 . . 109.1(3) ?
C49 C50 C51 . . 107.1(3) ?
C49 C50 H50A . . 110.3 ?
C51 C50 H50A . . 110.3 ?
C49 C50 H50B . . 110.3 ?
C51 C50 H50B . . 110.3 ?
H50A C50 H50B . . 108.6 ?
N3 C51 C53 . . 110.7(3) ?
N3 C51 C52 . . 112.0(3) ?
C53 C51 C52 . . 109.6(3) ?
N3 C51 C50 . . 102.2(3) ?
C53 C51 C50 . . 110.8(4) ?
C52 C51 C50 . . 111.3(3) ?
C51 C52 H52A . . 109.5 ?
C51 C52 H52B . . 109.5 ?
H52A C52 H52B . . 109.5 ?
C51 C52 H52C . . 109.5 ?
H52A C52 H52C . . 109.5 ?
H52B C52 H52C . . 109.5 ?
C51 C53 H53A . . 109.5 ?
C51 C53 H53B . . 109.5 ?
H53A C53 H53B . . 109.5 ?
C51 C53 H53C . . 109.5 ?
H53A C53 H53C . . 109.5 ?
H53B C53 H53C . . 109.5 ?
C55 C54 C49 . . 117.4(3) ?
C55 C54 H54A . . 108.0 ?
C49 C54 H54A . . 108.0 ?
C55 C54 H54B . . 108.0 ?
C49 C54 H54B . . 108.0 ?
H54A C54 H54B . . 107.2 ?
C54 C55 H55A . . 109.5 ?
C54 C55 H55B . . 109.5 ?
H55A C55 H55B . . 109.5 ?
C54 C55 H55C . . 109.5 ?
H55A C55 H55C . . 109.5 ?
H55B C55 H55C . . 109.5 ?
C57 C56 C49 . . 116.5(4) ?
C57 C56 H56A . . 108.2 ?
C49 C56 H56A . . 108.2 ?
C57 C56 H56B . . 108.2 ?
C49 C56 H56B . . 108.2 ?
H56A C56 H56B . . 107.3 ?
C56 C57 H57A . . 109.5 ?
C56 C57 H57B . . 109.5 ?
H57A C57 H57B . . 109.5 ?
C56 C57 H57C . . 109.5 ?
H57A C57 H57C . . 109.5 ?
H57B C57 H57C . . 109.5 ?
C59 C58 N3 . . 119.3(4) ?
C59 C58 C63 . . 118.8(4) ?
N3 C58 C63 . . 121.9(4) ?
C60 C59 C58 . . 119.9(4) ?
C60 C59 C67 . . 118.5(4) ?
C58 C59 C67 . . 121.6(4) ?
C61 C60 C59 . . 121.5(4) ?
C61 C60 H60 . . 119.3 ?
C59 C60 H60 . . 119.3 ?
C62 C61 C60 . . 119.0(4) ?
C62 C61 H61 . . 120.5 ?
C60 C61 H61 . . 120.5 ?
C61 C62 C63 . . 122.0(4) ?
C61 C62 Na4 . . 80.0(2) ?
C63 C62 Na4 . . 78.0(2) ?
C61 C62 H62 . . 119.0 ?
C63 C62 H62 . . 119.0 ?
Na4 C62 H62 . . 113.2 ?
C62 C63 C58 . . 118.8(4) ?
C62 C63 C64 . . 119.1(4) ?
C58 C63 C64 . . 122.1(4) ?
C62 C63 Na4 . . 75.9(2) ?
C58 C63 Na4 . . 77.6(2) ?
C64 C63 Na4 . . 116.9(2) ?
C63 C64 C65 . . 113.2(4) ?
C63 C64 C66 . . 110.7(4) ?
C65 C64 C66 . . 110.7(4) ?
C63 C64 H64 . . 107.3 ?
C65 C64 H64 . . 107.3 ?
C66 C64 H64 . . 107.3 ?
C64 C65 H65A . . 109.5 ?
C64 C65 H65B . . 109.5 ?
H65A C65 H65B . . 109.5 ?
C64 C65 H65C . . 109.5 ?
H65A C65 H65C . . 109.5 ?
H65B C65 H65C . . 109.5 ?
C64 C66 H66A . . 109.5 ?
C64 C66 H66B . . 109.5 ?
H66A C66 H66B . . 109.5 ?
C64 C66 H66C . . 109.5 ?
H66A C66 H66C . . 109.5 ?
H66B C66 H66C . . 109.5 ?
C69 C67 C59 . . 111.7(4) ?
C69 C67 C68 . . 110.9(4) ?
C59 C67 C68 . . 110.5(3) ?
C69 C67 H67 . . 107.8 ?
C59 C67 H67 . . 107.8 ?
C68 C67 H67 . . 107.8 ?
C67 C68 H68A . . 109.5 ?
C67 C68 H68B . . 109.5 ?
H68A C68 H68B . . 109.5 ?
C67 C68 H68C . . 109.5 ?
H68A C68 H68C . . 109.5 ?
H68B C68 H68C . . 109.5 ?
C67 C69 H69A . . 109.5 ?
C67 C69 H69B . . 109.5 ?
H69A C69 H69B . . 109.5 ?
C67 C69 H69C . . 109.5 ?
H69A C69 H69C . . 109.5 ?
H69B C69 H69C . . 109.5 ?
O8 C70 O7 . . 115.9(3) ?
O8 C70 C71 . . 121.0(3) ?
O7 C70 C71 . . 123.0(3) ?
C70 C71 N4 . . 119.3(3) ?
C70 C71 C72 . . 129.0(3) ?
N4 C71 C72 . . 111.7(3) ?
C71 C72 C77 . . 110.0(3) ?
C71 C72 C73 . . 101.4(3) ?
C77 C72 C73 . . 110.3(3) ?
C71 C72 C79 . . 113.8(3) ?
C77 C72 C79 . . 107.1(3) ?
C73 C72 C79 . . 114.1(3) ?
C74 C73 C72 . . 107.9(3) ?
C74 C73 H73A . . 110.1 ?
C72 C73 H73A . . 110.1 ?
C74 C73 H73B . . 110.1 ?
C72 C73 H73B . . 110.1 ?
H73A C73 H73B . . 108.4 ?
N4 C74 C75 . . 112.9(3) ?
N4 C74 C76 . . 109.4(3) ?
C75 C74 C76 . . 109.1(3) ?
N4 C74 C73 . . 103.6(3) ?
C75 C74 C73 . . 110.2(3) ?
C76 C74 C73 . . 111.6(3) ?
C74 C75 H75A . . 109.5 ?
C74 C75 H75B . . 109.5 ?
H75A C75 H75B . . 109.5 ?
C74 C75 H75C . . 109.5 ?
H75A C75 H75C . . 109.5 ?
H75B C75 H75C . . 109.5 ?
C74 C76 H76A . . 109.5 ?
C74 C76 H76B . . 109.5 ?
H76A C76 H76B . . 109.5 ?
C74 C76 H76C . . 109.5 ?
H76A C76 H76C . . 109.5 ?
H76B C76 H76C . . 109.5 ?
C78 C77 C72 . . 117.0(4) ?
C78 C77 H77A . . 108.0 ?
C72 C77 H77A . . 108.0 ?
C78 C77 H77B . . 108.0 ?
C72 C77 H77B . . 108.0 ?
H77A C77 H77B . . 107.3 ?
C77 C78 H78A . . 109.5 ?
C77 C78 H78B . . 109.5 ?
H78A C78 H78B . . 109.5 ?
C77 C78 H78C . . 109.5 ?
H78A C78 H78C . . 109.5 ?
H78B C78 H78C . . 109.5 ?
C80 C79 C72 . . 118.0(3) ?
C80 C79 H79A . . 107.8 ?
C72 C79 H79A . . 107.8 ?
C80 C79 H79B . . 107.8 ?
C72 C79 H79B . . 107.8 ?
H79A C79 H79B . . 107.1 ?
C79 C80 H80A . . 109.5 ?
C79 C80 H80B . . 109.5 ?
H80A C80 H80B . . 109.5 ?
C79 C80 H80C . . 109.5 ?
H80A C80 H80C . . 109.5 ?
H80B C80 H80C . . 109.5 ?
C86 C81 C82 . . 118.9(3) ?
C86 C81 N4 . . 123.4(3) ?
C82 C81 N4 . . 117.7(3) ?
C83 C82 C81 . . 119.5(4) ?
C83 C82 C90 . . 117.7(4) ?
C81 C82 C90 . . 122.7(3) ?
C84 C83 C82 . . 121.6(4) ?
C84 C83 H83 . . 119.2 ?
C82 C83 H83 . . 119.2 ?
C83 C84 C85 . . 119.0(4) ?
C83 C84 H84 . . 120.5 ?
C85 C84 H84 . . 120.5 ?
C84 C85 C86 . . 121.9(4) ?
C84 C85 H85 . . 119.1 ?
C86 C85 H85 . . 119.1 ?
C85 C86 C81 . . 119.0(4) ?
C85 C86 C87 . . 116.9(4) ?
C81 C86 C87 . . 124.1(3) ?
C86 C87 C89 . . 110.1(3) ?
C86 C87 C88 . . 112.1(3) ?
C89 C87 C88 . . 110.2(4) ?
C86 C87 H87 . . 108.1 ?
C89 C87 H87 . . 108.1 ?
C88 C87 H87 . . 108.1 ?
C87 C88 H88A . . 109.5 ?
C87 C88 H88B . . 109.5 ?
H88A C88 H88B . . 109.5 ?
C87 C88 H88C . . 109.5 ?
H88A C88 H88C . . 109.5 ?
H88B C88 H88C . . 109.5 ?
C87 C89 H89A . . 109.5 ?
C87 C89 H89B . . 109.5 ?
H89A C89 H89B . . 109.5 ?
C87 C89 H89C . . 109.5 ?
H89A C89 H89C . . 109.5 ?
H89B C89 H89C . . 109.5 ?
C82 C90 C91 . . 112.2(3) ?
C82 C90 C92 . . 110.3(3) ?
C91 C90 C92 . . 109.4(4) ?
C82 C90 H90 . . 108.3 ?
C91 C90 H90 . . 108.3 ?
C92 C90 H90 . . 108.3 ?
C90 C91 H91A . . 109.5 ?
C90 C91 H91B . . 109.5 ?
H91A C91 H91B . . 109.5 ?
C90 C91 H91C . . 109.5 ?
H91A C91 H91C . . 109.5 ?
H91B C91 H91C . . 109.5 ?
C90 C92 H92A . . 109.5 ?
C90 C92 H92B . . 109.5 ?
H92A C92 H92B . . 109.5 ?
C90 C92 H92C . . 109.5 ?
H92A C92 H92C . . 109.5 ?
H92B C92 H92C . . 109.5 ?
O9 C93 O10 . . 113.9(3) ?
O9 C93 C94 . . 122.7(3) ?
O10 C93 C94 . . 123.3(3) ?
C93 C94 N5 . . 121.6(3) ?
C93 C94 C95 . . 128.0(3) ?
N5 C94 C95 . . 109.3(3) ?
C102 C95 C94 . . 111.9(4) ?
C102 C95 C96 . . 113.1(4) ?
C94 C95 C96 . . 101.9(3) ?
C102 C95 C100 . . 112.0(4) ?
C94 C95 C100 . . 113.6(4) ?
C96 C95 C100 . . 103.6(4) ?
C95 C96 C97 . . 108.6(3) ?
C95 C96 H96A . . 110.0 ?
C97 C96 H96A . . 110.0 ?
C95 C96 H96B . . 110.0 ?
C97 C96 H96B . . 110.0 ?
H96A C96 H96B . . 108.3 ?
N5 C97 C98 . . 112.2(4) ?
N5 C97 C96 . . 102.2(3) ?
C98 C97 C96 . . 111.9(4) ?
N5 C97 C99 . . 110.7(4) ?
C98 C97 C99 . . 110.4(4) ?
C96 C97 C99 . . 109.2(4) ?
C97 C98 H98A . . 109.5 ?
C97 C98 H98B . . 109.5 ?
H98A C98 H98B . . 109.5 ?
C97 C98 H98C . . 109.5 ?
H98A C98 H98C . . 109.5 ?
H98B C98 H98C . . 109.5 ?
C97 C99 H99A . . 109.5 ?
C97 C99 H99B . . 109.5 ?
H99A C99 H99B . . 109.5 ?
C97 C99 H99C . . 109.5 ?
H99A C99 H99C . . 109.5 ?
H99B C99 H99C . . 109.5 ?
C101 C100 C95 . . 121.2(5) ?
C101 C100 H10C . . 107.0 ?
C95 C100 H10C . . 107.0 ?
C101 C100 H10D . . 107.0 ?
C95 C100 H10D . . 107.0 ?
H10C C100 H10D . . 106.8 ?
C100 C101 H10G . . 109.5 ?
C100 C101 H10F . . 109.5 ?
H10G C101 H10F . . 109.5 ?
C100 C101 H10E . . 109.5 ?
H10G C101 H10E . . 109.5 ?
H10F C101 H10E . . 109.5 ?
C95 C102 C103 . . 117.7(4) ?
C95 C102 H10H . . 107.9 ?
C103 C102 H10H . . 107.9 ?
C95 C102 H10I . . 107.9 ?
C103 C102 H10I . . 107.9 ?
H10H C102 H10I . . 107.2 ?
C102 C103 H10J . . 109.5 ?
C102 C103 H10K . . 109.5 ?
H10J C103 H10K . . 109.5 ?
C102 C103 H10L . . 109.5 ?
H10J C103 H10L . . 109.5 ?
H10K C103 H10L . . 109.5 ?
C105 C104 C109 . . 119.2(3) ?
C105 C104 N5 . . 121.6(3) ?
C109 C104 N5 . . 119.2(4) ?
C106 C105 C104 . . 119.7(4) ?
C106 C105 C113 . . 117.8(4) ?
C104 C105 C113 . . 122.5(4) ?
C107 C106 C105 . . 121.2(4) ?
C107 C106 H106 . . 119.4 ?
C105 C106 H106 . . 119.4 ?
C108 C107 C106 . . 118.8(4) ?
C108 C107 Na9 . . 77.4(2) ?
C106 C107 Na9 . . 83.5(2) ?
C108 C107 H107 . . 120.6 ?
C106 C107 H107 . . 120.6 ?
Na9 C107 H107 . . 109.0 ?
C107 C108 C109 . . 122.0(4) ?
C107 C108 H108 . . 119.0 ?
C109 C108 H108 . . 119.0 ?
C108 C109 C104 . . 118.9(4) ?
C108 C109 C110 . . 118.7(4) ?
C104 C109 C110 . . 122.4(3) ?
C109 C110 C111 . . 111.9(4) ?
C109 C110 C112 . . 112.2(3) ?
C111 C110 C112 . . 109.9(4) ?
C109 C110 H110 . . 107.5 ?
C111 C110 H110 . . 107.5 ?
C112 C110 H110 . . 107.5 ?
C110 C111 H11D . . 109.5 ?
C110 C111 H11E . . 109.5 ?
H11D C111 H11E . . 109.5 ?
C110 C111 H11F . . 109.5 ?
H11D C111 H11F . . 109.5 ?
H11E C111 H11F . . 109.5 ?
C110 C112 H11G . . 109.5 ?
C110 C112 H11H . . 109.5 ?
H11G C112 H11H . . 109.5 ?
C110 C112 H11I . . 109.5 ?
H11G C112 H11I . . 109.5 ?
H11H C112 H11I . . 109.5 ?
C105 C113 C115 . . 111.0(4) ?
C105 C113 C114 . . 112.0(4) ?
C115 C113 C114 . . 110.8(4) ?
C105 C113 H113 . . 107.6 ?
C115 C113 H113 . . 107.6 ?
C114 C113 H113 . . 107.6 ?
C113 C114 H11J . . 109.5 ?
C113 C114 H11K . . 109.5 ?
H11J C114 H11K . . 109.5 ?
C113 C114 H11L . . 109.5 ?
H11J C114 H11L . . 109.5 ?
H11K C114 H11L . . 109.5 ?
C113 C115 H11M . . 109.5 ?
C113 C115 H11N . . 109.5 ?
H11M C115 H11N . . 109.5 ?
C113 C115 H11O . . 109.5 ?
H11M C115 H11O . . 109.5 ?
H11N C115 H11O . . 109.5 ?
O11 C116 C117 . . 123.2(3) ?
O11 C116 O12 . . 114.8(3) ?
C117 C116 O12 . . 122.0(3) ?
C116 C117 N6 . . 120.9(3) ?
C116 C117 C118 . . 128.2(3) ?
N6 C117 C118 . . 109.8(3) ?
C117 C118 C119 . . 101.8(3) ?
C117 C118 C125 . . 112.1(3) ?
C119 C118 C125 . . 109.9(3) ?
C117 C118 C123 . . 110.6(3) ?
C119 C118 C123 . . 113.3(3) ?
C125 C118 C123 . . 109.0(3) ?
C120 C119 C118 . . 107.5(3) ?
C120 C119 H11P . . 110.2 ?
C118 C119 H11P . . 110.2 ?
C120 C119 H11Q . . 110.2 ?
C118 C119 H11Q . . 110.2 ?
H11P C119 H11Q . . 108.5 ?
N6 C120 C121 . . 113.2(3) ?
N6 C120 C122 . . 110.8(3) ?
C121 C120 C122 . . 109.5(3) ?
N6 C120 C119 . . 102.4(3) ?
C121 C120 C119 . . 110.8(4) ?
C122 C120 C119 . . 109.9(3) ?
C120 C121 H12A . . 109.5 ?
C120 C121 H12B . . 109.5 ?
H12A C121 H12B . . 109.5 ?
C120 C121 H12C . . 109.5 ?
H12A C121 H12C . . 109.5 ?
H12B C121 H12C . . 109.5 ?
C120 C122 H12D . . 109.5 ?
C120 C122 H12E . . 109.5 ?
H12D C122 H12E . . 109.5 ?
C120 C122 H12F . . 109.5 ?
H12D C122 H12F . . 109.5 ?
H12E C122 H12F . . 109.5 ?
C124 C123 C118 . . 117.7(3) ?
C124 C123 H12G . . 107.9 ?
C118 C123 H12G . . 107.9 ?
C124 C123 H12H . . 107.9 ?
C118 C123 H12H . . 107.9 ?
H12G C123 H12H . . 107.2 ?
C123 C124 H12I . . 109.5 ?
C123 C124 H12J . . 109.5 ?
H12I C124 H12J . . 109.5 ?
C123 C124 H12K . . 109.5 ?
H12I C124 H12K . . 109.5 ?
H12J C124 H12K . . 109.5 ?
C126 C125 C118 . . 117.0(4) ?
C126 C125 H12L . . 108.0 ?
C118 C125 H12L . . 108.0 ?
C126 C125 H12M . . 108.0 ?
C118 C125 H12M . . 108.0 ?
H12L C125 H12M . . 107.3 ?
C125 C126 H12N . . 109.5 ?
C125 C126 H12O . . 109.5 ?
H12N C126 H12O . . 109.5 ?
C125 C126 H12P . . 109.5 ?
H12N C126 H12P . . 109.5 ?
H12O C126 H12P . . 109.5 ?
C132 C127 C128 . . 118.9(4) ?
C132 C127 N6 . . 122.8(4) ?
C128 C127 N6 . . 118.3(4) ?
C129 C128 C127 . . 119.5(5) ?
C129 C128 C136 . . 117.7(4) ?
C127 C128 C136 . . 122.8(3) ?
C130 C129 C128 . . 121.4(5) ?
C130 C129 H129 . . 119.3 ?
C128 C129 H129 . . 119.3 ?
C131 C130 C129 . . 119.0(5) ?
C131 C130 H130 . . 120.5 ?
C129 C130 H130 . . 120.5 ?
C130 C131 C132 . . 121.9(5) ?
C130 C131 H131 . . 119.0 ?
C132 C131 H131 . . 119.0 ?
C131 C132 C127 . . 119.2(5) ?
C131 C132 C133 . . 118.4(5) ?
C127 C132 C133 . . 122.3(4) ?
C132 C133 C135 . . 111.1(5) ?
C132 C133 C134 . . 113.2(4) ?
C135 C133 C134 . . 110.8(4) ?
C132 C133 H133 . . 107.2 ?
C135 C133 H133 . . 107.2 ?
C134 C133 H133 . . 107.2 ?
C133 C134 H13A . . 109.5 ?
C133 C134 H13B . . 109.5 ?
H13A C134 H13B . . 109.5 ?
C133 C134 H13C . . 109.5 ?
H13A C134 H13C . . 109.5 ?
H13B C134 H13C . . 109.5 ?
C133 C135 H13D . . 109.5 ?
C133 C135 H13E . . 109.5 ?
H13D C135 H13E . . 109.5 ?
C133 C135 H13F . . 109.5 ?
H13D C135 H13F . . 109.5 ?
H13E C135 H13F . . 109.5 ?
C128 C136 C138 . . 111.0(4) ?
C128 C136 C137 . . 112.7(4) ?
C138 C136 C137 . . 110.7(4) ?
C128 C136 H136 . . 107.4 ?
C138 C136 H136 . . 107.4 ?
C137 C136 H136 . . 107.4 ?
C136 C137 H13G . . 109.5 ?
C136 C137 H13H . . 109.5 ?
H13G C137 H13H . . 109.5 ?
C136 C137 H13I . . 109.5 ?
H13G C137 H13I . . 109.5 ?
H13H C137 H13I . . 109.5 ?
C136 C138 H13J . . 109.5 ?
C136 C138 H13K . . 109.5 ?
H13J C138 H13K . . 109.5 ?
C136 C138 H13L . . 109.5 ?
H13J C138 H13L . . 109.5 ?
H13K C138 H13L . . 109.5 ?
C140 C139 H13M . . 109.5 ?
C140 C139 H13N . . 109.5 ?
H13M C139 H13N . . 109.5 ?
C140 C139 H13O . . 109.5 ?
H13M C139 H13O . . 109.5 ?
H13N C139 H13O . . 109.5 ?
C139 C140 C141 . . 114.8(7) ?
C139 C140 H14A . . 108.6 ?
C141 C140 H14A . . 108.6 ?
C139 C140 H14B . . 108.6 ?
C141 C140 H14B . . 108.6 ?
H14A C140 H14B . . 107.5 ?
C142 C141 C140 . . 119.9(6) ?
C142 C141 H14C . . 107.3 ?
C140 C141 H14C . . 107.3 ?
C142 C141 H14D . . 107.3 ?
C140 C141 H14D . . 107.3 ?
H14C C141 H14D . . 106.9 ?
C141 C142 C143 . . 119.8(7) ?
C141 C142 H14E . . 107.4 ?
C143 C142 H14E . . 107.4 ?
C141 C142 H14F . . 107.4 ?
C143 C142 H14F . . 107.4 ?
H14E C142 H14F . . 106.9 ?
C142 C143 C144 . . 126.9(8) ?
C142 C143 H14G . . 105.6 ?
C144 C143 H14G . . 105.6 ?
C142 C143 H14H . . 105.6 ?
C144 C143 H14H . . 105.6 ?
H14G C143 H14H . . 106.1 ?
C143 C144 H14I . . 109.5 ?
C143 C144 H14J . . 109.5 ?
H14I C144 H14J . . 109.5 ?
C143 C144 H14K . . 109.5 ?
H14I C144 H14K . . 109.5 ?
H14J C144 H14K . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Na1 O2 . 2.230(3) ?
Na1 O12 . 2.271(3) ?
Na1 O4 . 2.371(3) ?
Na1 O1 . 2.668(3) ?
Na1 C1 . 2.733(4) ?
Na1 Na3 . 3.012(2) ?
Na1 Na6 . 3.0469(19) ?
Na1 Na11 . 3.051(2) ?
Na1 C24 . 3.093(4) ?
Na1 Na2 . 3.570(2) ?
Na1 Na10 . 4.1030(19) ?
Na2 O2 . 2.161(3) ?
Na2 O3 . 2.310(3) ?
Na2 C24 . 2.727(4) ?
Na2 C25 . 3.097(4) ?
Na2 C43 . 3.128(4) ?
Na2 Na3 . 3.240(2) ?
Na3 O3 . 2.272(3) ?
Na3 O6 . 2.387(3) ?
Na3 O1 . 2.422(3) ?
Na3 O4 . 2.519(3) ?
Na3 O2 . 2.521(3) ?
Na3 C24 . 2.774(4) ?
Na3 O5 . 2.781(3) ?
Na3 C1 . 2.813(4) ?
Na3 C47 . 2.877(4) ?
Na3 Na5 . 2.9761(19) ?
Na3 Na12 . 2.999(2) ?
Na4 O5 . 2.201(3) ?
Na4 O3 . 2.270(3) ?
Na4 C62 . 3.092(4) ?
Na4 C63 . 3.118(4) ?
Na4 Na5 . 3.493(2) ?
Na5 O5 . 2.202(3) ?
Na5 O7 . 2.220(3) ?
Na5 O4 . 2.331(3) ?
Na5 O6 . 2.780(3) ?
Na5 C47 . 2.845(4) ?
Na5 Na6 . 3.005(2) ?
Na5 C24 . 3.019(4) ?
Na5 Na7 . 3.062(2) ?
Na6 O11 . 2.210(3) ?
Na6 O4 . 2.245(3) ?
Na6 O7 . 2.342(3) ?
Na6 O12 . 2.621(3) ?
Na6 C116 . 2.793(4) ?
Na6 Na10 . 2.932(2) ?
Na6 C70 . 3.012(4) ?
Na6 Na8 . 3.429(2) ?
Na7 O9 . 2.226(3) ?
Na7 O6 . 2.235(3) ?
Na7 O7 . 2.377(3) ?
Na7 C93 . 2.723(4) ?
Na7 O10 . 2.806(3) ?
Na7 Na10 . 3.067(2) ?
Na7 C47 . 3.080(4) ?
Na7 C70 . 3.109(4) ?
Na7 Na12 . 3.131(2) ?
Na7 Na9 . 3.550(2) ?
Na8 O11 . 2.195(3) ?
Na8 O8 . 2.280(3) ?
Na8 Na10 . 3.487(2) ?
Na9 O9 . 2.184(3) ?
Na9 O8 . 2.366(3) ?
Na9 C70 . 2.672(4) ?
Na9 C71 . 2.977(4) ?
Na9 N4 . 3.054(3) ?
Na9 C107 . 3.129(4) ?
Na9 Na10 . 3.2181(19) ?
Na10 O8 . 2.258(3) ?
Na10 O12 . 2.359(3) ?
Na10 O10 . 2.368(3) ?
Na10 O9 . 2.419(3) ?
Na10 O7 . 2.604(3) ?
Na10 C93 . 2.762(4) ?
Na10 C70 . 2.813(4) ?
Na10 C116 . 2.987(4) ?
Na10 Na11 . 3.0076(19) ?
Na10 O11 . 3.013(3) ?
Na11 O10 . 2.234(3) ?
Na11 O12 . 2.258(3) ?
Na11 O1 . 2.284(3) ?
Na11 Na12 . 2.958(2) ?
Na12 O6 . 2.212(3) ?
Na12 O1 . 2.251(3) ?
Na12 O10 . 2.286(3) ?
Na12 C11 . 3.021(4) ?
O1 C1 . 1.364(4) ?
O2 C1 . 1.336(4) ?
O3 C24 . 1.333(4) ?
O4 C24 . 1.354(4) ?
O5 C47 . 1.330(5) ?
O6 C47 . 1.356(5) ?
O7 C70 . 1.358(4) ?
O8 C70 . 1.338(4) ?
O9 C93 . 1.334(4) ?
O10 C93 . 1.361(4) ?
O11 C116 . 1.324(4) ?
O12 C116 . 1.378(4) ?
N1 C12 . 1.423(5) ?
N1 C2 . 1.452(4) ?
N1 C5 . 1.470(5) ?
N2 C35 . 1.435(5) ?
N2 C25 . 1.459(4) ?
N2 C28 . 1.482(4) ?
N3 C58 . 1.420(5) ?
N3 C48 . 1.445(5) ?
N3 C51 . 1.478(4) ?
N4 C81 . 1.444(4) ?
N4 C71 . 1.455(4) ?
N4 C74 . 1.492(4) ?
N5 C104 . 1.427(5) ?
N5 C94 . 1.458(4) ?
N5 C97 . 1.473(5) ?
N6 C127 . 1.420(5) ?
N6 C117 . 1.454(4) ?
N6 C120 . 1.486(4) ?
C1 C2 . 1.365(5) ?
C2 C3 . 1.548(5) ?
C3 C8 . 1.515(6) ?
C3 C4 . 1.544(5) ?
C3 C10 . 1.569(6) ?
C4 C5 . 1.534(5) ?
C4 H4A . 0.99 ?
C4 H4B . 0.99 ?
C5 C7 . 1.519(5) ?
C5 C6 . 1.545(6) ?
C6 H6A . 0.98 ?
C6 H6B . 0.98 ?
C6 H6C . 0.98 ?
C7 H7A . 0.98 ?
C7 H7B . 0.98 ?
C7 H7C . 0.98 ?
C8 C9 . 1.547(6) ?
C8 H8A . 0.99 ?
C8 H8B . 0.99 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C10 C11 . 1.503(6) ?
C10 H10A . 0.99 ?
C10 H10B . 0.99 ?
C11 H11A . 0.98 ?
C11 H11C . 0.98 ?
C11 H11B . 0.98 ?
C12 C17 . 1.411(5) ?
C12 C13 . 1.412(5) ?
C13 C14 . 1.406(6) ?
C13 C21 . 1.505(5) ?
C14 C15 . 1.385(6) ?
C14 H14 . 0.95 ?
C15 C16 . 1.373(6) ?
C15 H15 . 0.95 ?
C16 C17 . 1.403(6) ?
C16 H16 . 0.95 ?
C17 C18 . 1.503(5) ?
C18 C20 . 1.535(5) ?
C18 C19 . 1.538(5) ?
C18 H18 . 1.0 ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C20 H20A . 0.98 ?
C20 H20B . 0.98 ?
C20 H20C . 0.98 ?
C21 C22 . 1.532(5) ?
C21 C23 . 1.539(5) ?
C21 H21 . 1.0 ?
C22 H22A . 0.98 ?
C22 H22B . 0.98 ?
C22 H22C . 0.98 ?
C23 H23A . 0.98 ?
C23 H23B . 0.98 ?
C23 H23C . 0.98 ?
C24 C25 . 1.369(5) ?
C25 C26 . 1.540(5) ?
C26 C31 . 1.547(5) ?
C26 C27 . 1.548(5) ?
C26 C33 . 1.565(5) ?
C27 C28 . 1.536(5) ?
C27 H27A . 0.99 ?
C27 H27B . 0.99 ?
C28 C30 . 1.530(5) ?
C28 C29 . 1.531(5) ?
C29 H29A . 0.98 ?
C29 H29B . 0.98 ?
C29 H29C . 0.98 ?
C30 H30A . 0.98 ?
C30 H30B . 0.98 ?
C30 H30C . 0.98 ?
C31 C32 . 1.527(5) ?
C31 H31A . 0.99 ?
C31 H31B . 0.99 ?
C32 H32A . 0.98 ?
C32 H32B . 0.98 ?
C32 H32C . 0.98 ?
C33 C34 . 1.535(5) ?
C33 H33A . 0.99 ?
C33 H33B . 0.99 ?
C34 H34A . 0.98 ?
C34 H34B . 0.98 ?
C34 H34C . 0.98 ?
C35 C36 . 1.404(5) ?
C35 C40 . 1.419(5) ?
C36 C37 . 1.404(6) ?
C36 C44 . 1.505(5) ?
C37 C38 . 1.386(6) ?
C37 H37 . 0.95 ?
C38 C39 . 1.383(6) ?
C38 H38 . 0.95 ?
C39 C40 . 1.391(5) ?
C39 H39 . 0.95 ?
C40 C41 . 1.516(5) ?
C41 C42 . 1.538(5) ?
C41 C43 . 1.540(5) ?
C41 H41 . 1.0 ?
C42 H42A . 0.98 ?
C42 H42B . 0.98 ?
C42 H42C . 0.98 ?
C43 H43C . 0.98 ?
C43 H43A . 0.98 ?
C43 H43B . 0.98 ?
C44 C45 . 1.537(5) ?
C44 C46 . 1.539(5) ?
C44 H44 . 1.0 ?
C45 H45A . 0.98 ?
C45 H45B . 0.98 ?
C45 H45C . 0.98 ?
C46 H46A . 0.98 ?
C46 H46B . 0.98 ?
C46 H46C . 0.98 ?
C47 C48 . 1.377(5) ?
C48 C49 . 1.534(5) ?
C49 C50 . 1.531(5) ?
C49 C56 . 1.569(6) ?
C49 C54 . 1.570(5) ?
C50 C51 . 1.554(6) ?
C50 H50A . 0.99 ?
C50 H50B . 0.99 ?
C51 C53 . 1.520(6) ?
C51 C52 . 1.542(5) ?
C52 H52A . 0.98 ?
C52 H52B . 0.98 ?
C52 H52C . 0.98 ?
C53 H53A . 0.98 ?
C53 H53B . 0.98 ?
C53 H53C . 0.98 ?
C54 C55 . 1.534(5) ?
C54 H54A . 0.99 ?
C54 H54B . 0.99 ?
C55 H55A . 0.98 ?
C55 H55B . 0.98 ?
C55 H55C . 0.98 ?
C56 C57 . 1.540(6) ?
C56 H56A . 0.99 ?
C56 H56B . 0.99 ?
C57 H57A . 0.98 ?
C57 H57B . 0.98 ?
C57 H57C . 0.98 ?
C58 C59 . 1.406(6) ?
C58 C63 . 1.427(5) ?
C59 C60 . 1.396(6) ?
C59 C67 . 1.528(6) ?
C60 C61 . 1.384(6) ?
C60 H60 . 0.95 ?
C61 C62 . 1.378(6) ?
C61 H61 . 0.95 ?
C62 C63 . 1.401(6) ?
C62 H62 . 0.95 ?
C63 C64 . 1.512(6) ?
C64 C65 . 1.519(6) ?
C64 C66 . 1.532(6) ?
C64 H64 . 1.0 ?
C65 H65A . 0.98 ?
C65 H65B . 0.98 ?
C65 H65C . 0.98 ?
C66 H66A . 0.98 ?
C66 H66B . 0.98 ?
C66 H66C . 0.98 ?
C67 C69 . 1.524(6) ?
C67 C68 . 1.529(6) ?
C67 H67 . 1.0 ?
C68 H68A . 0.98 ?
C68 H68B . 0.98 ?
C68 H68C . 0.98 ?
C69 H69A . 0.98 ?
C69 H69B . 0.98 ?
C69 H69C . 0.98 ?
C70 C71 . 1.365(5) ?
C71 C72 . 1.534(5) ?
C72 C77 . 1.548(5) ?
C72 C73 . 1.554(5) ?
C72 C79 . 1.562(5) ?
C73 C74 . 1.547(5) ?
C73 H73A . 0.99 ?
C73 H73B . 0.99 ?
C74 C75 . 1.523(5) ?
C74 C76 . 1.534(6) ?
C75 H75A . 0.98 ?
C75 H75B . 0.98 ?
C75 H75C . 0.98 ?
C76 H76A . 0.98 ?
C76 H76B . 0.98 ?
C76 H76C . 0.98 ?
C77 C78 . 1.536(6) ?
C77 H77A . 0.99 ?
C77 H77B . 0.99 ?
C78 H78A . 0.98 ?
C78 H78B . 0.98 ?
C78 H78C . 0.98 ?
C79 C80 . 1.530(5) ?
C79 H79A . 0.99 ?
C79 H79B . 0.99 ?
C80 H80A . 0.98 ?
C80 H80B . 0.98 ?
C80 H80C . 0.98 ?
C81 C86 . 1.407(5) ?
C81 C82 . 1.417(5) ?
C82 C83 . 1.399(6) ?
C82 C90 . 1.514(5) ?
C83 C84 . 1.371(6) ?
C83 H83 . 0.95 ?
C84 C85 . 1.381(6) ?
C84 H84 . 0.95 ?
C85 C86 . 1.403(5) ?
C85 H85 . 0.95 ?
C86 C87 . 1.514(5) ?
C87 C89 . 1.525(5) ?
C87 C88 . 1.536(5) ?
C87 H87 . 1.0 ?
C88 H88A . 0.98 ?
C88 H88B . 0.98 ?
C88 H88C . 0.98 ?
C89 H89A . 0.98 ?
C89 H89B . 0.98 ?
C89 H89C . 0.98 ?
C90 C91 . 1.536(6) ?
C90 C92 . 1.537(6) ?
C90 H90 . 1.0 ?
C91 H91A . 0.98 ?
C91 H91B . 0.98 ?
C91 H91C . 0.98 ?
C92 H92A . 0.98 ?
C92 H92B . 0.98 ?
C92 H92C . 0.98 ?
C93 C94 . 1.362(5) ?
C94 C95 . 1.531(5) ?
C95 C102 . 1.510(6) ?
C95 C96 . 1.531(5) ?
C95 C100 . 1.595(7) ?
C96 C97 . 1.533(6) ?
C96 H96A . 0.99 ?
C96 H96B . 0.99 ?
C97 C98 . 1.518(6) ?
C97 C99 . 1.545(7) ?
C98 H98A . 0.98 ?
C98 H98B . 0.98 ?
C98 H98C . 0.98 ?
C99 H99A . 0.98 ?
C99 H99B . 0.98 ?
C99 H99C . 0.98 ?
C100 C101 . 1.441(7) ?
C100 H10C . 0.99 ?
C100 H10D . 0.99 ?
C101 H10G . 0.98 ?
C101 H10F . 0.98 ?
C101 H10E . 0.98 ?
C102 C103 . 1.545(6) ?
C102 H10H . 0.99 ?
C102 H10I . 0.99 ?
C103 H10J . 0.98 ?
C103 H10K . 0.98 ?
C103 H10L . 0.98 ?
C104 C105 . 1.408(6) ?
C104 C109 . 1.411(5) ?
C105 C106 . 1.394(5) ?
C105 C113 . 1.508(5) ?
C106 C107 . 1.393(6) ?
C106 H106 . 0.95 ?
C107 C108 . 1.373(6) ?
C107 H107 . 0.95 ?
C108 C109 . 1.402(5) ?
C108 H108 . 0.95 ?
C109 C110 . 1.509(6) ?
C110 C111 . 1.528(6) ?
C110 C112 . 1.540(6) ?
C110 H110 . 1.0 ?
C111 H11D . 0.98 ?
C111 H11E . 0.98 ?
C111 H11F . 0.98 ?
C112 H11G . 0.98 ?
C112 H11H . 0.98 ?
C112 H11I . 0.98 ?
C113 C115 . 1.535(6) ?
C113 C114 . 1.537(6) ?
C113 H113 . 1.0 ?
C114 H11J . 0.98 ?
C114 H11K . 0.98 ?
C114 H11L . 0.98 ?
C115 H11M . 0.98 ?
C115 H11N . 0.98 ?
C115 H11O . 0.98 ?
C116 C117 . 1.360(5) ?
C117 C118 . 1.534(5) ?
C118 C119 . 1.544(5) ?
C118 C125 . 1.545(5) ?
C118 C123 . 1.575(5) ?
C119 C120 . 1.536(5) ?
C119 H11P . 0.99 ?
C119 H11Q . 0.99 ?
C120 C121 . 1.521(5) ?
C120 C122 . 1.534(5) ?
C121 H12A . 0.98 ?
C121 H12B . 0.98 ?
C121 H12C . 0.98 ?
C122 H12D . 0.98 ?
C122 H12E . 0.98 ?
C122 H12F . 0.98 ?
C123 C124 . 1.530(5) ?
C123 H12G . 0.99 ?
C123 H12H . 0.99 ?
C124 H12I . 0.98 ?
C124 H12J . 0.98 ?
C124 H12K . 0.98 ?
C125 C126 . 1.533(6) ?
C125 H12L . 0.99 ?
C125 H12M . 0.99 ?
C126 H12N . 0.98 ?
C126 H12O . 0.98 ?
C126 H12P . 0.98 ?
C127 C132 . 1.406(6) ?
C127 C128 . 1.418(6) ?
C128 C129 . 1.399(6) ?
C128 C136 . 1.502(7) ?
C129 C130 . 1.382(9) ?
C129 H129 . 0.95 ?
C130 C131 . 1.374(9) ?
C130 H130 . 0.95 ?
C131 C132 . 1.404(7) ?
C131 H131 . 0.95 ?
C132 C133 . 1.510(7) ?
C133 C135 . 1.537(7) ?
C133 C134 . 1.537(7) ?
C133 H133 . 1.0 ?
C134 H13A . 0.98 ?
C134 H13B . 0.98 ?
C134 H13C . 0.98 ?
C135 H13D . 0.98 ?
C135 H13E . 0.98 ?
C135 H13F . 0.98 ?
C136 C138 . 1.534(6) ?
C136 C137 . 1.540(6) ?
C136 H136 . 1.0 ?
C137 H13G . 0.98 ?
C137 H13H . 0.98 ?
C137 H13I . 0.98 ?
C138 H13J . 0.98 ?
C138 H13K . 0.98 ?
C138 H13L . 0.98 ?
C139 C140 . 1.459(10) ?
C139 H13M . 0.98 ?
C139 H13N . 0.98 ?
C139 H13O . 0.98 ?
C140 C141 . 1.483(9) ?
C140 H14A . 0.99 ?
C140 H14B . 0.99 ?
C141 C142 . 1.447(10) ?
C141 H14C . 0.99 ?
C141 H14D . 0.99 ?
C142 C143 . 1.470(12) ?
C142 H14E . 0.99 ?
C142 H14F . 0.99 ?
C143 C144 . 1.474(12) ?
C143 H14G . 0.99 ?
C143 H14H . 0.99 ?
C144 H14I . 0.98 ?
C144 H14J . 0.98 ?
C144 H14K . 0.98 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Na2 O2 C1 O1 . . . . -113.8(5) ?
Na1 O2 C1 O1 . . . . 44.6(3) ?
Na3 O2 C1 O1 . . . . -33.5(3) ?
Na2 O2 C1 C2 . . . . 63.5(6) ?
Na1 O2 C1 C2 . . . . -138.1(3) ?
Na3 O2 C1 C2 . . . . 143.8(3) ?
Na12 O1 C1 O2 . . . . 106.8(4) ?
Na11 O1 C1 O2 . . . . -98.8(3) ?
Na3 O1 C1 O2 . . . . 35.0(3) ?
Na1 O1 C1 O2 . . . . -36.6(3) ?
Na12 O1 C1 C2 . . . . -70.5(6) ?
Na11 O1 C1 C2 . . . . 83.9(4) ?
Na3 O1 C1 C2 . . . . -142.2(3) ?
Na1 O1 C1 C2 . . . . 146.2(4) ?
O2 C1 C2 N1 . . . . 11.9(6) ?
O1 C1 C2 N1 . . . . -171.0(3) ?
O2 C1 C2 C3 . . . . -179.4(3) ?
O1 C1 C2 C3 . . . . -2.4(6) ?
C12 N1 C2 C1 . . . . -43.0(5) ?
C5 N1 C2 C1 . . . . 147.4(4) ?
C12 N1 C2 C3 . . . . 146.3(3) ?
C5 N1 C2 C3 . . . . -23.3(4) ?
C1 C2 C3 C8 . . . . -45.8(5) ?
N1 C2 C3 C8 . . . . 124.2(3) ?
C1 C2 C3 C4 . . . . -166.6(4) ?
N1 C2 C3 C4 . . . . 3.4(4) ?
C1 C2 C3 C10 . . . . 80.5(5) ?
N1 C2 C3 C10 . . . . -109.5(3) ?
C8 C3 C4 C5 . . . . -104.3(4) ?
C2 C3 C4 C5 . . . . 16.5(4) ?
C10 C3 C4 C5 . . . . 133.7(3) ?
C12 N1 C5 C7 . . . . -17.6(5) ?
C2 N1 C5 C7 . . . . 152.2(3) ?
C12 N1 C5 C4 . . . . -137.5(3) ?
C2 N1 C5 C4 . . . . 32.4(4) ?
C12 N1 C5 C6 . . . . 105.8(4) ?
C2 N1 C5 C6 . . . . -84.3(4) ?
C3 C4 C5 N1 . . . . -29.7(4) ?
C3 C4 C5 C7 . . . . -149.6(3) ?
C3 C4 C5 C6 . . . . 89.5(4) ?
C4 C3 C8 C9 . . . . -60.9(5) ?
C2 C3 C8 C9 . . . . -175.5(4) ?
C10 C3 C8 C9 . . . . 57.9(5) ?
C8 C3 C10 C11 . . . . 61.9(5) ?
C4 C3 C10 C11 . . . . -175.5(4) ?
C2 C3 C10 C11 . . . . -65.0(5) ?
C2 N1 C12 C17 . . . . -76.5(4) ?
C5 N1 C12 C17 . . . . 91.7(4) ?
C2 N1 C12 C13 . . . . 105.8(4) ?
C5 N1 C12 C13 . . . . -86.0(4) ?
C17 C12 C13 C14 . . . . 2.9(5) ?
N1 C12 C13 C14 . . . . -179.4(3) ?
C17 C12 C13 C21 . . . . -176.2(3) ?
N1 C12 C13 C21 . . . . 1.5(5) ?
C12 C13 C14 C15 . . . . -0.6(6) ?
C21 C13 C14 C15 . . . . 178.6(4) ?
C13 C14 C15 C16 . . . . -1.6(6) ?
C14 C15 C16 C17 . . . . 1.5(6) ?
C15 C16 C17 C12 . . . . 0.8(6) ?
C15 C16 C17 C18 . . . . -177.8(4) ?
C13 C12 C17 C16 . . . . -3.0(5) ?
N1 C12 C17 C16 . . . . 179.3(3) ?
C13 C12 C17 C18 . . . . 175.6(3) ?
N1 C12 C17 C18 . . . . -2.1(5) ?
C16 C17 C18 C20 . . . . -77.2(5) ?
C12 C17 C18 C20 . . . . 104.2(4) ?
C16 C17 C18 C19 . . . . 47.6(5) ?
C12 C17 C18 C19 . . . . -131.0(4) ?
C14 C13 C21 C22 . . . . 57.3(5) ?
C12 C13 C21 C22 . . . . -123.6(4) ?
C14 C13 C21 C23 . . . . -66.1(4) ?
C12 C13 C21 C23 . . . . 113.0(4) ?
Na4 O3 C24 O4 . . . . 87.7(4) ?
Na3 O3 C24 O4 . . . . -17.9(3) ?
Na2 O3 C24 O4 . . . . -108.3(3) ?
Na4 O3 C24 C25 . . . . -92.7(4) ?
Na3 O3 C24 C25 . . . . 161.6(3) ?
Na2 O3 C24 C25 . . . . 71.3(3) ?
Na6 O4 C24 O3 . . . . -161.3(3) ?
Na5 O4 C24 O3 . . . . -57.6(3) ?
Na1 O4 C24 O3 . . . . 89.6(3) ?
Na3 O4 C24 O3 . . . . 16.0(3) ?
Na6 O4 C24 C25 . . . . 19.1(6) ?
Na5 O4 C24 C25 . . . . 122.9(3) ?
Na1 O4 C24 C25 . . . . -89.9(3) ?
Na3 O4 C24 C25 . . . . -163.5(3) ?
O3 C24 C25 N2 . . . . 2.8(5) ?
O4 C24 C25 N2 . . . . -177.7(3) ?
O3 C24 C25 C26 . . . . -173.4(3) ?
O4 C24 C25 C26 . . . . 6.2(6) ?
C35 N2 C25 C24 . . . . 54.1(5) ?
C28 N2 C25 C24 . . . . -163.0(3) ?
C35 N2 C25 C26 . . . . -129.1(3) ?
C28 N2 C25 C26 . . . . 13.8(4) ?
C24 C25 C26 C31 . . . . 63.5(5) ?
N2 C25 C26 C31 . . . . -112.9(3) ?
C24 C25 C26 C27 . . . . -179.6(4) ?
N2 C25 C26 C27 . . . . 4.0(4) ?
C24 C25 C26 C33 . . . . -57.5(5) ?
N2 C25 C26 C33 . . . . 126.1(3) ?
C25 C26 C27 C28 . . . . -19.8(4) ?
C31 C26 C27 C28 . . . . 97.5(3) ?
C33 C26 C27 C28 . . . . -142.1(3) ?
C35 N2 C28 C30 . . . . -123.6(3) ?
C25 N2 C28 C30 . . . . 93.7(3) ?
C35 N2 C28 C29 . . . . -2.6(5) ?
C25 N2 C28 C29 . . . . -145.3(3) ?
C35 N2 C28 C27 . . . . 117.3(3) ?
C25 N2 C28 C27 . . . . -25.3(4) ?
C26 C27 C28 N2 . . . . 28.3(4) ?
C26 C27 C28 C30 . . . . -88.8(4) ?
C26 C27 C28 C29 . . . . 149.4(3) ?
C25 C26 C31 C32 . . . . -179.1(3) ?
C27 C26 C31 C32 . . . . 69.9(4) ?
C33 C26 C31 C32 . . . . -54.3(4) ?
C25 C26 C33 C34 . . . . -134.9(3) ?
C31 C26 C33 C34 . . . . 102.1(4) ?
C27 C26 C33 C34 . . . . -20.0(5) ?
C25 N2 C35 C36 . . . . 50.9(5) ?
C28 N2 C35 C36 . . . . -87.6(4) ?
C25 N2 C35 C40 . . . . -128.4(3) ?
C28 N2 C35 C40 . . . . 93.1(4) ?
C40 C35 C36 C37 . . . . 1.1(5) ?
N2 C35 C36 C37 . . . . -178.2(3) ?
C40 C35 C36 C44 . . . . -178.9(3) ?
N2 C35 C36 C44 . . . . 1.8(6) ?
C35 C36 C37 C38 . . . . -2.6(6) ?
C44 C36 C37 C38 . . . . 177.4(4) ?
C36 C37 C38 C39 . . . . 1.6(6) ?
C37 C38 C39 C40 . . . . 0.9(6) ?
C38 C39 C40 C35 . . . . -2.3(6) ?
C38 C39 C40 C41 . . . . 175.5(4) ?
C36 C35 C40 C39 . . . . 1.3(5) ?
N2 C35 C40 C39 . . . . -179.4(3) ?
C36 C35 C40 C41 . . . . -176.4(3) ?
N2 C35 C40 C41 . . . . 3.0(5) ?
C39 C40 C41 C42 . . . . 66.4(4) ?
C35 C40 C41 C42 . . . . -115.9(4) ?
C39 C40 C41 C43 . . . . -58.0(5) ?
C35 C40 C41 C43 . . . . 119.7(4) ?
C37 C36 C44 C45 . . . . 66.6(5) ?
C35 C36 C44 C45 . . . . -113.4(4) ?
C37 C36 C44 C46 . . . . -57.0(5) ?
C35 C36 C44 C46 . . . . 122.9(4) ?
Na4 O5 C47 O6 . . . . 106.5(4) ?
Na5 O5 C47 O6 . . . . -32.6(3) ?
Na3 O5 C47 O6 . . . . 36.1(3) ?
Na4 O5 C47 C48 . . . . -70.3(5) ?
Na5 O5 C47 C48 . . . . 150.6(3) ?
Na3 O5 C47 C48 . . . . -140.7(4) ?
Na12 O6 C47 O5 . . . . -127.1(4) ?
Na7 O6 C47 O5 . . . . 91.2(3) ?
Na3 O6 C47 O5 . . . . -43.0(3) ?
Na5 O6 C47 O5 . . . . 24.9(3) ?
Na12 O6 C47 C48 . . . . 49.7(6) ?
Na7 O6 C47 C48 . . . . -92.1(4) ?
Na3 O6 C47 C48 . . . . 133.8(3) ?
Na5 O6 C47 C48 . . . . -158.3(4) ?
O5 C47 C48 N3 . . . . -7.0(6) ?
O6 C47 C48 N3 . . . . 176.4(3) ?
O5 C47 C48 C49 . . . . -176.6(3) ?
O6 C47 C48 C49 . . . . 6.8(6) ?
C58 N3 C48 C47 . . . . 45.7(5) ?
C51 N3 C48 C47 . . . . -161.4(3) ?
C58 N3 C48 C49 . . . . -143.0(3) ?
C51 N3 C48 C49 . . . . 9.9(4) ?
C47 C48 C49 C50 . . . . -179.5(4) ?
N3 C48 C49 C50 . . . . 9.9(4) ?
C47 C48 C49 C56 . . . . -63.2(5) ?
N3 C48 C49 C56 . . . . 126.2(3) ?
C47 C48 C49 C54 . . . . 58.8(5) ?
N3 C48 C49 C54 . . . . -111.8(4) ?
C48 C49 C50 C51 . . . . -25.1(4) ?
C56 C49 C50 C51 . . . . -143.3(3) ?
C54 C49 C50 C51 . . . . 94.3(4) ?
C58 N3 C51 C53 . . . . -114.0(4) ?
C48 N3 C51 C53 . . . . 93.2(4) ?
C58 N3 C51 C52 . . . . 8.7(5) ?
C48 N3 C51 C52 . . . . -144.0(3) ?
C58 N3 C51 C50 . . . . 127.9(4) ?
C48 N3 C51 C50 . . . . -24.8(4) ?
C49 C50 C51 N3 . . . . 31.2(4) ?
C49 C50 C51 C53 . . . . -86.9(4) ?
C49 C50 C51 C52 . . . . 150.9(3) ?
C50 C49 C54 C55 . . . . 30.8(5) ?
C48 C49 C54 C55 . . . . 144.8(4) ?
C56 C49 C54 C55 . . . . -91.6(4) ?
C50 C49 C56 C57 . . . . -67.1(5) ?
C48 C49 C56 C57 . . . . -178.8(4) ?
C54 C49 C56 C57 . . . . 58.2(5) ?
C48 N3 C58 C59 . . . . -121.0(4) ?
C51 N3 C58 C59 . . . . 89.6(4) ?
C48 N3 C58 C63 . . . . 58.8(5) ?
C51 N3 C58 C63 . . . . -90.6(5) ?
N3 C58 C59 C60 . . . . -177.7(3) ?
C63 C58 C59 C60 . . . . 2.5(5) ?
N3 C58 C59 C67 . . . . 4.9(5) ?
C63 C58 C59 C67 . . . . -174.9(3) ?
C58 C59 C60 C61 . . . . -3.0(6) ?
C67 C59 C60 C61 . . . . 174.4(4) ?
C59 C60 C61 C62 . . . . 0.5(6) ?
C60 C61 C62 C63 . . . . 2.5(6) ?
C60 C61 C62 Na4 . . . . -66.4(4) ?
C61 C62 C63 C58 . . . . -3.0(6) ?
Na4 C62 C63 C58 . . . . 67.0(3) ?
C61 C62 C63 C64 . . . . 176.8(4) ?
Na4 C62 C63 C64 . . . . -113.2(3) ?
C61 C62 C63 Na4 . . . . -70.0(4) ?
C59 C58 C63 C62 . . . . 0.4(5) ?
N3 C58 C63 C62 . . . . -179.4(3) ?
C59 C58 C63 C64 . . . . -179.3(3) ?
N3 C58 C63 C64 . . . . 0.9(6) ?
C59 C58 C63 Na4 . . . . 66.6(3) ?
N3 C58 C63 Na4 . . . . -113.2(3) ?
C62 C63 C64 C65 . . . . -47.5(5) ?
C58 C63 C64 C65 . . . . 132.3(4) ?
Na4 C63 C64 C65 . . . . -135.8(3) ?
C62 C63 C64 C66 . . . . 77.4(5) ?
C58 C63 C64 C66 . . . . -102.8(4) ?
Na4 C63 C64 C66 . . . . -10.9(4) ?
C60 C59 C67 C69 . . . . 65.3(5) ?
C58 C59 C67 C69 . . . . -117.3(4) ?
C60 C59 C67 C68 . . . . -58.8(5) ?
C58 C59 C67 C68 . . . . 118.6(4) ?
Na10 O8 C70 O7 . . . . -22.8(3) ?
Na8 O8 C70 O7 . . . . 90.3(3) ?
Na9 O8 C70 O7 . . . . -110.5(3) ?
Na10 O8 C70 C71 . . . . 157.7(3) ?
Na8 O8 C70 C71 . . . . -89.2(4) ?
Na9 O8 C70 C71 . . . . 70.0(3) ?
Na5 O7 C70 O8 . . . . -154.0(3) ?
Na6 O7 C70 O8 . . . . -50.5(3) ?
Na7 O7 C70 O8 . . . . 92.2(3) ?
Na10 O7 C70 O8 . . . . 19.4(3) ?
Na5 O7 C70 C71 . . . . 25.4(7) ?
Na6 O7 C70 C71 . . . . 129.0(3) ?
Na7 O7 C70 C71 . . . . -88.4(4) ?
Na10 O7 C70 C71 . . . . -161.1(3) ?
O8 C70 C71 N4 . . . . 2.5(5) ?
O7 C70 C71 N4 . . . . -177.0(3) ?
O8 C70 C71 C72 . . . . -174.2(3) ?
O7 C70 C71 C72 . . . . 6.3(6) ?
C81 N4 C71 C70 . . . . 53.8(5) ?
C74 N4 C71 C70 . . . . -164.4(3) ?
C81 N4 C71 C72 . . . . -129.0(3) ?
C74 N4 C71 C72 . . . . 12.8(4) ?
C70 C71 C72 C77 . . . . 64.6(5) ?
N4 C71 C72 C77 . . . . -112.3(3) ?
C70 C71 C72 C73 . . . . -178.6(4) ?
N4 C71 C72 C73 . . . . 4.5(4) ?
C70 C71 C72 C79 . . . . -55.6(5) ?
N4 C71 C72 C79 . . . . 127.5(3) ?
C71 C72 C73 C74 . . . . -19.6(4) ?
C77 C72 C73 C74 . . . . 97.0(4) ?
C79 C72 C73 C74 . . . . -142.4(3) ?
C81 N4 C74 C75 . . . . -2.8(5) ?
C71 N4 C74 C75 . . . . -143.5(3) ?
C81 N4 C74 C76 . . . . -124.5(4) ?
C71 N4 C74 C76 . . . . 94.8(4) ?
C81 N4 C74 C73 . . . . 116.4(4) ?
C71 N4 C74 C73 . . . . -24.3(4) ?
C72 C73 C74 N4 . . . . 27.5(4) ?
C72 C73 C74 C75 . . . . 148.5(3) ?
C72 C73 C74 C76 . . . . -90.1(4) ?
C71 C72 C77 C78 . . . . 177.4(3) ?
C73 C72 C77 C78 . . . . 66.3(5) ?
C79 C72 C77 C78 . . . . -58.4(4) ?
C71 C72 C79 C80 . . . . -133.1(3) ?
C77 C72 C79 C80 . . . . 105.0(4) ?
C73 C72 C79 C80 . . . . -17.4(5) ?
C71 N4 C81 C86 . . . . 48.2(5) ?
C74 N4 C81 C86 . . . . -88.7(4) ?
C71 N4 C81 C82 . . . . -128.7(4) ?
C74 N4 C81 C82 . . . . 94.3(4) ?
C86 C81 C82 C83 . . . . -2.0(5) ?
N4 C81 C82 C83 . . . . 175.1(3) ?
C86 C81 C82 C90 . . . . -179.1(3) ?
N4 C81 C82 C90 . . . . -1.9(5) ?
C81 C82 C83 C84 . . . . -1.0(6) ?
C90 C82 C83 C84 . . . . 176.2(4) ?
C82 C83 C84 C85 . . . . 2.1(6) ?
C83 C84 C85 C86 . . . . -0.2(6) ?
C84 C85 C86 C81 . . . . -2.8(6) ?
C84 C85 C86 C87 . . . . 176.7(3) ?
C82 C81 C86 C85 . . . . 3.8(5) ?
N4 C81 C86 C85 . . . . -173.2(3) ?
C82 C81 C86 C87 . . . . -175.6(3) ?
N4 C81 C86 C87 . . . . 7.4(5) ?
C85 C86 C87 C89 . . . . 64.8(4) ?
C81 C86 C87 C89 . . . . -115.8(4) ?
C85 C86 C87 C88 . . . . -58.4(5) ?
C81 C86 C87 C88 . . . . 121.0(4) ?
C83 C82 C90 C91 . . . . 65.3(5) ?
C81 C82 C90 C91 . . . . -117.6(4) ?
C83 C82 C90 C92 . . . . -57.0(5) ?
C81 C82 C90 C92 . . . . 120.1(4) ?
Na9 O9 C93 O10 . . . . -113.8(5) ?
Na7 O9 C93 O10 . . . . 55.1(3) ?
Na10 O9 C93 O10 . . . . -27.4(3) ?
Na9 O9 C93 C94 . . . . 64.3(7) ?
Na7 O9 C93 C94 . . . . -126.8(4) ?
Na10 O9 C93 C94 . . . . 150.8(4) ?
Na11 O10 C93 O9 . . . . 100.0(6) ?
Na12 O10 C93 O9 . . . . -102.9(3) ?
Na10 O10 C93 O9 . . . . 28.0(3) ?
Na7 O10 C93 O9 . . . . -42.7(3) ?
Na11 O10 C93 C94 . . . . -78.1(7) ?
Na12 O10 C93 C94 . . . . 78.9(4) ?
Na10 O10 C93 C94 . . . . -150.1(4) ?
Na7 O10 C93 C94 . . . . 139.2(4) ?
O9 C93 C94 N5 . . . . 12.4(6) ?
O10 C93 C94 N5 . . . . -169.6(3) ?
O9 C93 C94 C95 . . . . 179.3(4) ?
O10 C93 C94 C95 . . . . -2.8(7) ?
C104 N5 C94 C93 . . . . -47.1(6) ?
C97 N5 C94 C93 . . . . 157.5(4) ?
C104 N5 C94 C95 . . . . 143.9(4) ?
C97 N5 C94 C95 . . . . -11.6(5) ?
C93 C94 C95 C102 . . . . -53.4(6) ?
N5 C94 C95 C102 . . . . 114.7(4) ?
C93 C94 C95 C96 . . . . -174.6(4) ?
N5 C94 C95 C96 . . . . -6.4(4) ?
C93 C94 C95 C100 . . . . 74.6(6) ?
N5 C94 C95 C100 . . . . -117.2(4) ?
C102 C95 C96 C97 . . . . -98.7(4) ?
C94 C95 C96 C97 . . . . 21.6(5) ?
C100 C95 C96 C97 . . . . 139.8(4) ?
C104 N5 C97 C98 . . . . -10.8(6) ?
C94 N5 C97 C98 . . . . 144.2(4) ?
C104 N5 C97 C96 . . . . -130.8(4) ?
C94 N5 C97 C96 . . . . 24.2(4) ?
C104 N5 C97 C99 . . . . 113.0(4) ?
C94 N5 C97 C99 . . . . -92.0(4) ?
C95 C96 C97 N5 . . . . -28.4(5) ?
C95 C96 C97 C98 . . . . -148.7(4) ?
C95 C96 C97 C99 . . . . 88.8(5) ?
C102 C95 C100 C101 . . . . 66.4(6) ?
C94 C95 C100 C101 . . . . -61.6(6) ?
C96 C95 C100 C101 . . . . -171.4(5) ?
C94 C95 C102 C103 . . . . -164.6(5) ?
C96 C95 C102 C103 . . . . -50.1(7) ?
C100 C95 C102 C103 . . . . 66.6(7) ?
C94 N5 C104 C105 . . . . -56.1(5) ?
C97 N5 C104 C105 . . . . 96.2(5) ?
C94 N5 C104 C109 . . . . 121.9(4) ?
C97 N5 C104 C109 . . . . -85.9(5) ?
C109 C104 C105 C106 . . . . -4.7(6) ?
N5 C104 C105 C106 . . . . 173.3(3) ?
C109 C104 C105 C113 . . . . 174.0(4) ?
N5 C104 C105 C113 . . . . -8.0(6) ?
C104 C105 C106 C107 . . . . 1.7(6) ?
C113 C105 C106 C107 . . . . -177.1(4) ?
C105 C106 C107 C108 . . . . 1.9(6) ?
C105 C106 C107 Na9 . . . . -69.8(4) ?
C106 C107 C108 C109 . . . . -2.6(6) ?
Na9 C107 C108 C109 . . . . 72.6(4) ?
C107 C108 C109 C104 . . . . -0.4(6) ?
C107 C108 C109 C110 . . . . -178.5(4) ?
C105 C104 C109 C108 . . . . 4.0(5) ?
N5 C104 C109 C108 . . . . -174.0(3) ?
C105 C104 C109 C110 . . . . -177.9(4) ?
N5 C104 C109 C110 . . . . 4.1(5) ?
C108 C109 C110 C111 . . . . 57.3(5) ?
C104 C109 C110 C111 . . . . -120.8(4) ?
C108 C109 C110 C112 . . . . -66.9(5) ?
C104 C109 C110 C112 . . . . 115.1(4) ?
C106 C105 C113 C115 . . . . -68.6(5) ?
C104 C105 C113 C115 . . . . 112.7(4) ?
C106 C105 C113 C114 . . . . 55.8(5) ?
C104 C105 C113 C114 . . . . -122.8(4) ?
Na8 O11 C116 C117 . . . . -80.7(5) ?
Na6 O11 C116 C117 . . . . 156.0(3) ?
Na10 O11 C116 C117 . . . . -142.3(4) ?
Na8 O11 C116 O12 . . . . 97.1(4) ?
Na6 O11 C116 O12 . . . . -26.2(3) ?
Na10 O11 C116 O12 . . . . 35.6(3) ?
Na11 O12 C116 O11 . . . . -141.8(3) ?
Na1 O12 C116 O11 . . . . 92.5(3) ?
Na10 O12 C116 O11 . . . . -47.8(3) ?
Na6 O12 C116 O11 . . . . 21.6(3) ?
Na11 O12 C116 C117 . . . . 36.1(6) ?
Na1 O12 C116 C117 . . . . -89.7(4) ?
Na10 O12 C116 C117 . . . . 130.1(3) ?
Na6 O12 C116 C117 . . . . -160.5(4) ?
O11 C116 C117 N6 . . . . -8.2(6) ?
O12 C116 C117 N6 . . . . 174.1(3) ?
O11 C116 C117 C118 . . . . -174.6(4) ?
O12 C116 C117 C118 . . . . 7.7(6) ?
C127 N6 C117 C116 . . . . 51.3(6) ?
C120 N6 C117 C116 . . . . -157.5(4) ?
C127 N6 C117 C118 . . . . -140.1(4) ?
C120 N6 C117 C118 . . . . 11.2(4) ?
C116 C117 C118 C119 . . . . 175.7(4) ?
N6 C117 C118 C119 . . . . 8.1(4) ?
C116 C117 C118 C125 . . . . -66.9(5) ?
N6 C117 C118 C125 . . . . 125.5(4) ?
C116 C117 C118 C123 . . . . 54.9(5) ?
N6 C117 C118 C123 . . . . -112.7(3) ?
C117 C118 C119 C120 . . . . -23.8(4) ?
C125 C118 C119 C120 . . . . -142.8(3) ?
C123 C118 C119 C120 . . . . 95.0(4) ?
C127 N6 C120 C121 . . . . 6.8(6) ?
C117 N6 C120 C121 . . . . -144.7(4) ?
C127 N6 C120 C122 . . . . -116.7(4) ?
C117 N6 C120 C122 . . . . 91.8(4) ?
C127 N6 C120 C119 . . . . 126.1(4) ?
C117 N6 C120 C119 . . . . -25.5(4) ?
C118 C119 C120 N6 . . . . 30.6(4) ?
C118 C119 C120 C121 . . . . 151.5(3) ?
C118 C119 C120 C122 . . . . -87.3(4) ?
C117 C118 C123 C124 . . . . 143.9(4) ?
C119 C118 C123 C124 . . . . 30.3(5) ?
C125 C118 C123 C124 . . . . -92.4(4) ?
C117 C118 C125 C126 . . . . 178.6(4) ?
C119 C118 C125 C126 . . . . -69.0(5) ?
C123 C118 C125 C126 . . . . 55.8(5) ?
C117 N6 C127 C132 . . . . 56.6(5) ?
C120 N6 C127 C132 . . . . -91.3(5) ?
C117 N6 C127 C128 . . . . -123.7(4) ?
C120 N6 C127 C128 . . . . 88.4(5) ?
C132 C127 C128 C129 . . . . 3.0(6) ?
N6 C127 C128 C129 . . . . -176.7(4) ?
C132 C127 C128 C136 . . . . -174.9(4) ?
N6 C127 C128 C136 . . . . 5.4(6) ?
C127 C128 C129 C130 . . . . -4.0(7) ?
C136 C128 C129 C130 . . . . 174.1(5) ?
C128 C129 C130 C131 . . . . 1.7(9) ?
C129 C130 C131 C132 . . . . 1.6(9) ?
C130 C131 C132 C127 . . . . -2.4(8) ?
C130 C131 C132 C133 . . . . 176.4(5) ?
C128 C127 C132 C131 . . . . 0.0(6) ?
N6 C127 C132 C131 . . . . 179.7(4) ?
C128 C127 C132 C133 . . . . -178.7(4) ?
N6 C127 C132 C133 . . . . 1.0(6) ?
C131 C132 C133 C135 . . . . 78.6(6) ?
C127 C132 C133 C135 . . . . -102.6(5) ?
C131 C132 C133 C134 . . . . -46.8(6) ?
C127 C132 C133 C134 . . . . 132.0(5) ?
C129 C128 C136 C138 . . . . -56.9(5) ?
C127 C128 C136 C138 . . . . 121.1(4) ?
C129 C128 C136 C137 . . . . 67.9(5) ?
C127 C128 C136 C137 . . . . -114.1(4) ?
C139 C140 C141 C142 . . . . 179.7(7) ?
C140 C141 C142 C143 . . . . 172.2(8) ?
C141 C142 C143 C144 . . . . 178.0(10) ?
