#------------------------------------------------------------------------------
#$Date: 2025-07-06 17:25:36 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300619 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/47/1574753.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_1574753
loop_
_publ_author_name
'Brown, Stephen E.'
'Pike, Sebastian D.'
_publ_section_title
;
 Photoabsorption of 1--2 nm molecular Ce-oxo nanoclusters versus ceria:
 intervalence charge transfer but no size effects
;
_journal_issue                   25
_journal_name_full               'Chemical Science'
_journal_page_first              11659
_journal_page_last               11668
_journal_paper_doi               10.1039/D5SC00905G
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C315 H287 Ce24 N15 O126'
_chemical_formula_sum            'C315 H287 Ce24 N15 O126'
_chemical_formula_weight         9661.65
_chemical_melting_point          ?
_chemical_name_systematic        '[Ce24O28(OH)8(OOCC6H4(4-OMe))30(py)4](py)11'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_audit_creation_date             2025-01-20
_audit_creation_method           CRYSTALS_ver_14.61_build_6999
_audit_update_record
;
2025-01-21 deposited with the CCDC.	2025-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.700(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   36.1757(6)
_cell_length_b                   25.1668(4)
_cell_length_c                   42.5226(8)
_cell_measurement_reflns_used    86821
_cell_measurement_temperature    100
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2
_cell_volume                     36214.5(12)
_computing_cell_refinement
; 
 CrysAlisPro (Rigaku Oxford Diffraction, 2017) 
;
_computing_data_collection       'SuperNova, (Oxford Diffraction, 2010)'
_computing_data_reduction
; 
 CrysAlisPro (Rigaku Oxford Diffraction, 2017) 
;
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'focussing mirrors'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_av_unetI/netI     0.066
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            299949
_diffrn_reflns_theta_full        25.004
_diffrn_reflns_theta_max         26.320
_diffrn_reflns_theta_min         2.077
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.033
_exptl_absorpt_correction_T_max  0.74
_exptl_absorpt_correction_T_min  0.30
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 CrysAlisPro (Rigaku Oxford Diffraction, 2017) 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             18728
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.164
_exptl_crystal_size_min          0.098
_platon_squeeze_details
;
44 solvent pyridines in 4 pores , electron count and 
volume consistent with proposed solvent 
;
_refine_diff_density_max         9.10
_refine_diff_density_min         -9.79
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.7423
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     4321
_refine_ls_number_reflns         65029
_refine_ls_number_restraints     2943
_refine_ls_R_factor_all          0.1467
_refine_ls_R_factor_gt           0.1024
_refine_ls_shift/su_max          0.3033028
_refine_ls_shift/su_mean         0.0045172
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.20P)² + 0.00P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.4361
_refine_ls_wR_factor_gt          0.3745
_refine_ls_wR_factor_ref         0.4361
_reflns_limit_h_max              41
_reflns_limit_h_min              -44
_reflns_limit_k_max              30
_reflns_limit_k_min              0
_reflns_limit_l_max              52
_reflns_limit_l_min              0
_reflns_number_gt                40779
_reflns_number_total             65059
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   1.62
_oxford_diffrn_Wilson_scale      949.43
_oxford_refine_ls_r_factor_ref   0.1467
_oxford_refine_ls_scale          0.035551(6)
_oxford_reflns_number_all        65030
_oxford_structure_analysis_title 'perstructure\sb3.88.cif_od At 13:50 on 19/10'
_cod_data_source_file            d5sc00905g2.cif
_cod_data_source_block           ce24PhOMe
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1574748--1574755.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               1574753
_oxford_refine_reflns_threshold_expression_ref I>-3.0\s(I)
_platon_squeeze_void_probe_radius 1.20
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x,-y+1/2,z+1/2
-x,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ce1 Ce 0.76577(3) 0.70217(4) 0.69917(3) 0.0322 1.0000 Uani . . . . . .
Ce2 Ce 0.76027(3) 0.71038(4) 0.79195(2) 0.0315 1.0000 Uani . . . . . .
Ce3 Ce 0.70236(2) 0.61089(4) 0.72811(2) 0.0226 1.0000 Uani . . . . . .
Ce4 Ce 0.81441(2) 0.60026(4) 0.76569(2) 0.0237 1.0000 Uani . . . . . .
O5 O 0.7613(3) 0.6620(5) 0.7457(2) 0.0336 1.0000 Uani . . . . . .
Ce6 Ce 0.75471(2) 0.49342(3) 0.70447(2) 0.0172 1.0000 Uani . . . . . .
Ce7 Ce 0.75099(2) 0.50052(3) 0.79169(2) 0.0195 1.0000 Uani . . . . . .
O8 O 0.7557(3) 0.5523(4) 0.7475(2) 0.0187 1.0000 Uani . . . . . .
Ce9 Ce 0.69084(3) 0.39393(4) 0.73067(2) 0.0247 1.0000 Uani . . . . . .
Ce10 Ce 0.80271(3) 0.38295(4) 0.76742(2) 0.0260 1.0000 Uani . . . . . .
O11 O 0.7496(3) 0.4410(4) 0.7486(2) 0.0239 1.0000 Uani . . . . . .
Ce12 Ce 0.74238(3) 0.28395(4) 0.70309(3) 0.0341 1.0000 Uani . . . . . .
Ce13 Ce 0.73949(3) 0.29158(4) 0.79643(3) 0.0416 1.0000 Uani . . . . . .
O14 O 0.7436(3) 0.3333(5) 0.7493(3) 0.0404 1.0000 Uani . . . . . .
Ce15 Ce 0.79959(3) 0.39618(4) 0.85469(2) 0.0344 1.0000 Uani . . . . . .
O16 O 0.7920(3) 0.3425(5) 0.8109(3) 0.0424 1.0000 Uani . . . . . .
Ce17 Ce 0.68668(3) 0.40685(4) 0.81722(2) 0.0316 1.0000 Uani . . . . . .
O18 O 0.7397(4) 0.3481(5) 0.8436(3) 0.0430 1.0000 Uani . . . . . .
Ce19 Ce 0.74754(3) 0.50724(4) 0.88021(2) 0.0334 1.0000 Uani . . . . . .
O20 O 0.7456(3) 0.4479(5) 0.8346(3) 0.0334 1.0000 Uani . . . . . .
O21 O 0.6775(3) 0.5131(4) 0.8220(3) 0.0366 1.0000 Uani . . . . . .
Ce22 Ce 0.69742(3) 0.61106(4) 0.81551(2) 0.0278 1.0000 Uani . . . . . .
Ce23 Ce 0.64019(3) 0.51116(4) 0.75288(2) 0.0271 1.0000 Uani . . . . . .
O24 O 0.6974(3) 0.5577(4) 0.7721(3) 0.0263 1.0000 Uani . . . . . .
O25 O 0.6274(3) 0.5986(5) 0.7732(3) 0.0413 1.0000 Uani . . . . . .
C26 C 0.6112(6) 0.6096(7) 0.7956(6) 0.0582 1.0000 Uani . . . . . .
O27 O 0.6319(4) 0.6063(5) 0.8266(3) 0.0464 1.0000 Uani . . . . . .
C28 C 0.5705(3) 0.6291(4) 0.7837(5) 0.1414 1.0000 Uani D . . . . .
C29 C 0.5470(4) 0.6254(4) 0.7501(4) 0.1432 1.0000 Uani D . . . . .
C30 C 0.5080(4) 0.6418(4) 0.7395(3) 0.1469 1.0000 Uani D . . . . .
C31 C 0.4926(3) 0.6625(4) 0.7625(3) 0.1486 1.0000 Uani D . . . . .
O32 O 0.4537(3) 0.6785(4) 0.7519(5) 0.1589 1.0000 Uani D . . . . .
C34 C 0.5161(4) 0.6662(4) 0.7960(3) 0.1463 1.0000 Uani D . . . . .
C35 C 0.5551(4) 0.6496(4) 0.8067(4) 0.1432 1.0000 Uani D . . . . .
O36 O 0.6920(3) 0.4542(4) 0.7734(2) 0.0229 1.0000 Uani . . . . . .
O37 O 0.6204(3) 0.4261(5) 0.7774(3) 0.0394 1.0000 Uani . . . . . .
C38 C 0.5912(5) 0.4529(8) 0.7813(4) 0.0387 1.0000 Uani . . . . . .
O39 O 0.5921(4) 0.5012(5) 0.7837(3) 0.0472 1.0000 Uani . . . . . .
C40 C 0.5557(5) 0.4186(8) 0.7817(5) 0.0520 1.0000 Uani . . . . . .
C41 C 0.5561(6) 0.3671(9) 0.7838(5) 0.0616 1.0000 Uani . . . . . .
C42 C 0.5230(7) 0.3408(11) 0.7815(6) 0.0813 1.0000 Uani . . . . . .
C43 C 0.4887(7) 0.3634(12) 0.7764(6) 0.0838 1.0000 Uani . . . . . .
O44 O 0.4562(5) 0.3353(9) 0.7743(5) 0.1133 1.0000 Uani . . . . . .
C45 C 0.4194(9) 0.3609(16) 0.7706(8) 0.1618 1.0000 Uani . . . . . .
C46 C 0.4865(6) 0.4194(12) 0.7741(6) 0.0861 1.0000 Uani . . . . . .
C47 C 0.5206(6) 0.4479(9) 0.7758(6) 0.0657 1.0000 Uani . . . . . .
Ce48 Ce 0.64353(3) 0.50426(4) 0.67055(2) 0.0260 1.0000 Uani . . . . . .
O49 O 0.6411(3) 0.4548(5) 0.7134(3) 0.0370 1.0000 Uani . . . . . .
O50 O 0.6453(3) 0.5607(4) 0.7111(2) 0.0279 1.0000 Uani . . . . . .
Ce51 Ce 0.69451(3) 0.39342(4) 0.64335(2) 0.0271 1.0000 Uani . . . . . .
O52 O 0.6955(3) 0.4468(4) 0.6864(2) 0.0228 1.0000 Uani . . . . . .
O53 O 0.6870(3) 0.4956(5) 0.6262(3) 0.0410 1.0000 Uani . . . . . .
Ce54 Ce 0.75906(3) 0.48623(4) 0.61628(2) 0.0263 1.0000 Uani . . . . . .
Ce55 Ce 0.70587(3) 0.59760(4) 0.64105(2) 0.0265 1.0000 Uani . . . . . .
Ce56 Ce 0.81920(3) 0.58698(4) 0.67943(2) 0.0244 1.0000 Uani . . . . . .
O57 O 0.7598(3) 0.5451(4) 0.6611(2) 0.0225 1.0000 Uani . . . . . .
O58 O 0.7665(3) 0.6468(5) 0.6528(3) 0.0356 1.0000 Uani . . . . . .
O59 O 0.8284(3) 0.4816(4) 0.6741(3) 0.0359 1.0000 Uani . . . . . .
Ce60 Ce 0.86544(3) 0.48208(4) 0.74345(2) 0.0260 1.0000 Uani . . . . . .
Ce61 Ce 0.80753(3) 0.38154(4) 0.68083(2) 0.0259 1.0000 Uani . . . . . .
O62 O 0.8076(3) 0.4352(4) 0.7241(2) 0.0175 1.0000 Uani . . . . . .
O63 O 0.8746(3) 0.3883(5) 0.7213(3) 0.0319 1.0000 Uani . . . . . .
C64 C 0.9062(5) 0.4066(6) 0.7175(4) 0.0359 1.0000 Uani . . . . . .
O65 O 0.9132(3) 0.4533(5) 0.7147(3) 0.0444 1.0000 Uani . . . . . .
C66 C 0.9366(6) 0.3650(7) 0.7209(4) 0.0404 1.0000 Uani . . . . . .
C67 C 0.9768(5) 0.3789(7) 0.7270(5) 0.0411 1.0000 Uani . . . . . .
C68 C 1.0064(5) 0.3445(7) 0.7323(5) 0.0395 1.0000 Uani . . . . . .
C69 C 0.9988(6) 0.2894(8) 0.7310(5) 0.0494 1.0000 Uani . . . . . .
O70 O 1.0251(3) 0.2498(5) 0.7348(3) 0.0530 1.0000 Uani . . . . . .
C71 C 1.0638(5) 0.2655(9) 0.7410(6) 0.0650 1.0000 Uani . . . . . .
C72 C 0.9590(6) 0.2741(8) 0.7240(5) 0.0527 1.0000 Uani . . . . . .
C73 C 0.9299(6) 0.3104(8) 0.7195(4) 0.0462 1.0000 Uani . . . . . .
O74 O 0.7535(3) 0.4339(4) 0.6619(2) 0.0235 1.0000 Uani . . . . . .
O75 O 0.7964(3) 0.4007(5) 0.6192(3) 0.0379 1.0000 Uani . . . . . .
C76 C 0.8328(6) 0.3905(8) 0.6224(5) 0.0442 1.0000 Uani . . . . . .
O77 O 0.8583(4) 0.3860(5) 0.6504(3) 0.0414 1.0000 Uani . . . . . .
C78 C 0.8419(5) 0.3815(7) 0.5918(4) 0.0366 1.0000 Uani . . . . . .
C79 C 0.8121(7) 0.3893(7) 0.5591(4) 0.0487 1.0000 Uani . . . . . .
C80 C 0.8187(8) 0.3785(10) 0.5302(6) 0.0786 1.0000 Uani . . . . . .
C81 C 0.8543(9) 0.3580(12) 0.5326(7) 0.0919 1.0000 Uani . . . . . .
O82 O 0.8652(7) 0.3451(10) 0.5057(5) 0.1339 1.0000 Uani D . . . . .
C83 C 0.8297(11) 0.3409(16) 0.4744(8) 0.1548 1.0000 Uani D . . . . .
C84 C 0.8850(9) 0.3505(11) 0.5640(6) 0.0884 1.0000 Uani . . . . . .
C85 C 0.8772(7) 0.3620(9) 0.5932(5) 0.0610 1.0000 Uani . . . . . .
O86 O 0.7473(3) 0.3330(4) 0.6549(3) 0.0342 1.0000 Uani . . . . . .
O87 O 0.7951(3) 0.3345(4) 0.7197(3) 0.0340 1.0000 Uani . . . . . .
O88 O 0.8258(4) 0.2952(5) 0.6713(3) 0.0464 1.0000 Uani . . . . . .
C89 C 0.8151(5) 0.2469(7) 0.6710(4) 0.0372 1.0000 Uani . . . . . .
O90 O 0.7873(3) 0.2335(5) 0.6801(3) 0.0444 1.0000 Uani . . . . . .
C91 C 0.8385(6) 0.2079(7) 0.6605(5) 0.0493 1.0000 Uani . . . . . .
C92 C 0.8721(6) 0.2239(8) 0.6544(5) 0.0489 1.0000 Uani . . . . . .
C93 C 0.8957(7) 0.1883(9) 0.6450(6) 0.0669 1.0000 Uani . . . . . .
C94 C 0.8849(7) 0.1365(9) 0.6408(7) 0.0715 1.0000 Uani . . . . . .
O95 O 0.9052(5) 0.0988(6) 0.6302(5) 0.0909 1.0000 Uani . . . . . .
C96 C 0.9427(7) 0.1148(11) 0.6293(8) 0.1077 1.0000 Uani . . . . . .
C97 C 0.8499(6) 0.1188(8) 0.6451(6) 0.0611 1.0000 Uani . . . . . .
C98 C 0.8291(6) 0.1547(7) 0.6561(5) 0.0521 1.0000 Uani . . . . . .
O99 O 0.8139(3) 0.5398(5) 0.7232(3) 0.0293 1.0000 Uani . . . . . .
O100 O 0.8875(3) 0.5629(4) 0.7214(3) 0.0325 1.0000 Uani . . . . . .
C101 C 0.9032(5) 0.5678(6) 0.6982(5) 0.0404 1.0000 Uani . . . . . .
O102 O 0.8824(3) 0.5650(5) 0.6684(3) 0.0366 1.0000 Uani . . . . . .
C103 C 0.9464(5) 0.5763(7) 0.7094(4) 0.0351 1.0000 Uani . . . . . .
C104 C 0.9702(5) 0.5742(8) 0.7423(4) 0.0438 1.0000 Uani . . . . . .
C105 C 1.0103(5) 0.5868(8) 0.7528(5) 0.0512 1.0000 Uani . . . . . .
C106 C 1.0250(6) 0.6046(9) 0.7287(6) 0.0596 1.0000 Uani . . . . . .
O107 O 1.0648(4) 0.6185(6) 0.7356(4) 0.0681 1.0000 Uani . . . . . .
C108 C 1.0908(6) 0.6146(10) 0.7691(7) 0.0873 1.0000 Uani . . . . . .
C109 C 1.0022(6) 0.6081(8) 0.6954(6) 0.0560 1.0000 Uani . . . . . .
C110 C 0.9635(5) 0.5960(6) 0.6858(5) 0.0403 1.0000 Uani . . . . . .
Ce111 Ce 0.86166(3) 0.48976(4) 0.82596(2) 0.0297 1.0000 Uani . . . . . .
O112 O 0.8593(3) 0.4321(5) 0.7846(3) 0.0370 1.0000 Uani . . . . . .
O113 O 0.8643(3) 0.5383(4) 0.7839(2) 0.0285 1.0000 Uani . . . . . .
Ce114 Ce 0.81057(3) 0.60239(4) 0.85268(2) 0.0292 1.0000 Uani . . . . . .
O115 O 0.8191(4) 0.4982(5) 0.8703(3) 0.0434 1.0000 Uani . . . . . .
O116 O 0.8093(3) 0.5470(4) 0.8092(3) 0.0291 1.0000 Uani . . . . . .
O117 O 0.8787(3) 0.5794(5) 0.8581(3) 0.0386 1.0000 Uani . . . . . .
C118 C 0.9062(5) 0.5572(9) 0.8821(4) 0.0420 1.0000 Uani . . . . . .
O119 O 0.9066(4) 0.5076(6) 0.8858(3) 0.0461 1.0000 Uani . . . . . .
C120 C 0.9389(6) 0.5890(10) 0.9047(5) 0.0561 1.0000 Uani . . . . . .
C121 C 0.9342(6) 0.6413(10) 0.9093(5) 0.0619 1.0000 Uani . . . . . .
C122 C 0.9645(7) 0.6717(12) 0.9296(6) 0.0804 1.0000 Uani . . . . . .
C123 C 1.0020(7) 0.6481(10) 0.9452(5) 0.0644 1.0000 Uani . . . . . .
O124 O 1.0311(4) 0.6825(8) 0.9654(4) 0.0892 1.0000 Uani . . . . . .
C125 C 1.0704(7) 0.6617(13) 0.9770(7) 0.1137 1.0000 Uani . . . . . .
C126 C 1.0087(6) 0.5979(11) 0.9409(5) 0.0691 1.0000 Uani . . . . . .
C127 C 0.9749(6) 0.5662(11) 0.9202(5) 0.0715 1.0000 Uani . . . . . .
O128 O 0.7516(3) 0.5589(4) 0.8341(2) 0.0241 1.0000 Uani . . . . . .
O129 O 0.7556(3) 0.6620(4) 0.8406(3) 0.0323 1.0000 Uani . . . . . .
O130 O 0.7905(4) 0.5855(5) 0.9048(3) 0.0437 1.0000 Uani . . . . . .
C131 C 0.8276(5) 0.5927(7) 0.9255(4) 0.0378 1.0000 Uani . . . . . .
O132 O 0.8544(4) 0.5904(5) 0.9137(3) 0.0446 1.0000 Uani . . . . . .
C133 C 0.8351(6) 0.6030(8) 0.9600(5) 0.0493 1.0000 Uani . . . . . .
C134 C 0.8039(6) 0.5973(9) 0.9743(5) 0.0608 1.0000 Uani . . . . . .
C135 C 0.8132(7) 0.6103(9) 1.0080(5) 0.0629 1.0000 Uani . . . . . .
C136 C 0.8484(8) 0.6267(9) 1.0279(5) 0.0667 1.0000 Uani . . . . . .
O137 O 0.8521(5) 0.6406(6) 1.0596(4) 0.0723 1.0000 Uani . . . . . .
C138 C 0.8893(9) 0.6598(13) 1.0797(6) 0.1174 1.0000 Uani . . . . . .
C139 C 0.8779(7) 0.6329(10) 1.0149(5) 0.0710 1.0000 Uani . . . . . .
C140 C 0.8696(6) 0.6202(9) 0.9804(5) 0.0598 1.0000 Uani . . . . . .
O141 O 0.8078(3) 0.6503(4) 0.8091(2) 0.0254 1.0000 Uani . . . . . .
O142 O 0.8368(4) 0.6874(5) 0.8775(3) 0.0413 1.0000 Uani . . . . . .
C143 C 0.8309(6) 0.7355(8) 0.8692(5) 0.0468 1.0000 Uani . . . . . .
O144 O 0.8044(4) 0.7526(5) 0.8421(3) 0.0596 1.0000 Uani . . . . . .
C145 C 0.8573(6) 0.7793(9) 0.8906(5) 0.0599 1.0000 Uani . . . . . .
C146 C 0.8552(9) 0.8292(9) 0.8806(7) 0.0839 1.0000 Uani . . . . . .
C147 C 0.8820(10) 0.8663(12) 0.8969(8) 0.1164 1.0000 Uani . . . . . .
C148 C 0.9143(11) 0.8475(13) 0.9273(10) 0.1213 1.0000 Uani . . . . . .
O149 O 0.9452(10) 0.8853(12) 0.9465(10) 0.2339 1.0000 Uani D . . . . .
C150 C 0.9120(11) 0.8005(13) 0.9399(8) 0.1326 1.0000 Uani . . . . . .
C151 C 0.8847(8) 0.7645(10) 0.9206(6) 0.0823 1.0000 Uani . . . . . .
O152 O 0.8041(3) 0.4426(4) 0.8103(2) 0.0263 1.0000 Uani . . . . . .
O153 O 0.8715(4) 0.4076(5) 0.8592(3) 0.0428 1.0000 Uani . . . . . .
C154 C 0.8843(5) 0.3998(9) 0.8913(5) 0.0532 1.0000 Uani . . . . . .
O155 O 0.8613(4) 0.4074(6) 0.9069(3) 0.0543 1.0000 Uani . . . . . .
C156 C 0.9256(6) 0.3804(9) 0.9081(6) 0.0598 1.0000 Uani . . . . . .
C157 C 0.9516(6) 0.3760(8) 0.8917(5) 0.0501 1.0000 Uani . . . . . .
C158 C 0.9879(5) 0.3535(10) 0.9069(6) 0.0656 1.0000 Uani . . . . . .
C159 C 0.9971(7) 0.3322(11) 0.9385(7) 0.0806 1.0000 Uani . . . . . .
O160 O 1.0318(5) 0.3078(10) 0.9515(6) 0.1402 1.0000 Uani . . . . . .
C161 C 1.0413(8) 0.2865(16) 0.9850(9) 0.2016 1.0000 Uani . . . . . .
C162 C 0.9717(7) 0.3360(11) 0.9556(6) 0.0848 1.0000 Uani . . . . . .
C163 C 0.9360(7) 0.3587(10) 0.9407(4) 0.0716 1.0000 Uani . . . . . .
O164 O 0.9304(3) 0.4809(5) 0.8335(3) 0.0399 1.0000 Uani . . . . . .
C165 C 0.9496(5) 0.4797(7) 0.8136(5) 0.0364 1.0000 Uani . . . . . .
O166 O 0.9332(3) 0.4794(5) 0.7817(3) 0.0344 1.0000 Uani . . . . . .
C167 C 0.9923(5) 0.4773(7) 0.8279(4) 0.0364 1.0000 Uani . . . . . .
C168 C 1.0154(5) 0.4773(7) 0.8071(4) 0.0375 1.0000 Uani . . . . . .
C169 C 1.0560(5) 0.4779(7) 0.8213(5) 0.0428 1.0000 Uani . . . . . .
C170 C 1.0751(6) 0.4763(8) 0.8569(5) 0.0491 1.0000 Uani . . . . . .
O171 O 1.1147(4) 0.4756(6) 0.8675(4) 0.0602 1.0000 Uani . . . . . .
C172 C 1.1354(7) 0.4823(11) 0.9032(6) 0.0851 1.0000 Uani . . . . . .
C173 C 1.0519(5) 0.4748(7) 0.8768(5) 0.0445 1.0000 Uani . . . . . .
C174 C 1.0110(5) 0.4758(8) 0.8628(4) 0.0466 1.0000 Uani . . . . . .
O175 O 0.8070(4) 0.5697(5) 0.6217(3) 0.0419 1.0000 Uani . . . . . .
C176 C 0.8138(6) 0.5566(9) 0.5954(5) 0.0531 1.0000 Uani . . . . . .
O177 O 0.8036(4) 0.5104(5) 0.5843(3) 0.0498 1.0000 Uani . . . . . .
C178 C 0.8313(3) 0.5929(5) 0.5782(4) 0.0924 1.0000 Uani D . . . . .
C179 C 0.8472(3) 0.6393(6) 0.5951(3) 0.0934 1.0000 Uani D . . . . .
C180 C 0.8590(3) 0.6796(5) 0.5786(3) 0.0964 1.0000 Uani D . . . . .
C181 C 0.8546(3) 0.6737(4) 0.5451(2) 0.0960 1.0000 Uani D . . . . .
O182 O 0.8663(3) 0.7160(5) 0.5277(3) 0.1067 1.0000 Uani D . . . . .
C183 C 0.8387(3) 0.6273(4) 0.5282(3) 0.0947 1.0000 Uani D . . . . .
C184 C 0.8272(3) 0.5868(4) 0.5448(4) 0.0926 1.0000 Uani D . . . . .
O185 O 0.8136(3) 0.6423(4) 0.7184(2) 0.0260 1.0000 Uani . . . . . .
O186 O 0.8512(3) 0.6645(5) 0.6725(3) 0.0420 1.0000 Uani . . . . . .
C187 C 0.8481(5) 0.7142(8) 0.6757(5) 0.0438 1.0000 Uani . . . . . .
O188 O 0.8168(3) 0.7359(5) 0.6789(3) 0.0439 1.0000 Uani . . . . . .
C189 C 0.8801(5) 0.7493(7) 0.6736(5) 0.0436 1.0000 Uani . . . . . .
C190 C 0.9150(5) 0.7289(8) 0.6761(5) 0.0482 1.0000 Uani . . . . . .
C191 C 0.9468(5) 0.7599(8) 0.6760(5) 0.0499 1.0000 Uani . . . . . .
C192 C 0.9421(6) 0.8150(8) 0.6738(4) 0.0493 1.0000 Uani . . . . . .
O193 O 0.9706(4) 0.8503(5) 0.6744(3) 0.0512 1.0000 Uani . . . . . .
C194 C 1.0094(5) 0.8310(8) 0.6823(6) 0.0636 1.0000 Uani . . . . . .
C195 C 0.9059(5) 0.8358(7) 0.6709(4) 0.0400 1.0000 Uani . . . . . .
C196 C 0.8757(5) 0.8042(8) 0.6706(5) 0.0441 1.0000 Uani . . . . . .
O197 O 0.7231(3) 0.5693(5) 0.5897(3) 0.0371 1.0000 Uani . . . . . .
C198 C 0.6880(5) 0.5763(8) 0.5684(4) 0.0419 1.0000 Uani . . . . . .
O199 O 0.6611(3) 0.5844(5) 0.5800(3) 0.0424 1.0000 Uani . . . . . .
C200 C 0.6803(5) 0.5772(9) 0.5329(4) 0.0488 1.0000 Uani . . . . . .
C201 C 0.7096(6) 0.5662(9) 0.5188(5) 0.0564 1.0000 Uani . . . . . .
C202 C 0.7023(7) 0.5729(10) 0.4851(5) 0.0746 1.0000 Uani . . . . . .
C203 C 0.6649(8) 0.5795(11) 0.4634(5) 0.0812 1.0000 Uani . . . . . .
O204 O 0.6593(7) 0.5843(10) 0.4304(4) 0.1254 1.0000 Uani . . . . . .
C205 C 0.6247(12) 0.607(2) 0.4081(9) 0.2500 1.0000 Uani . . . . . .
C206 C 0.6342(7) 0.5854(11) 0.4763(5) 0.0789 1.0000 Uani . . . . . .
C207 C 0.6417(6) 0.5842(10) 0.5096(5) 0.0689 1.0000 Uani . . . . . .
O208 O 0.7015(3) 0.5505(4) 0.6858(2) 0.0259 1.0000 Uani . . . . . .
O209 O 0.6364(3) 0.5915(5) 0.6354(3) 0.0373 1.0000 Uani . . . . . .
C210 C 0.6058(5) 0.5711(9) 0.6123(4) 0.0425 1.0000 Uani . . . . . .
O211 O 0.5997(3) 0.5226(5) 0.6107(3) 0.0394 1.0000 Uani . . . . . .
C212 C 0.5763(5) 0.6098(7) 0.5908(4) 0.0386 1.0000 Uani . . . . . .
C213 C 0.5366(6) 0.5938(9) 0.5750(5) 0.0529 1.0000 Uani . . . . . .
C214 C 0.5082(5) 0.6277(8) 0.5561(5) 0.0478 1.0000 Uani . . . . . .
C215 C 0.5185(6) 0.6781(9) 0.5512(5) 0.0593 1.0000 Uani . . . . . .
O216 O 0.4924(4) 0.7161(6) 0.5312(4) 0.0698 1.0000 Uani . . . . . .
C217 C 0.4530(7) 0.7025(13) 0.5239(7) 0.1154 1.0000 Uani . . . . . .
C218 C 0.5582(6) 0.6962(9) 0.5650(5) 0.0614 1.0000 Uani . . . . . .
C219 C 0.5856(5) 0.6621(8) 0.5849(5) 0.0485 1.0000 Uani . . . . . .
O220 O 0.7126(3) 0.6515(4) 0.6833(3) 0.0270 1.0000 Uani . . . . . .
O221 O 0.6879(3) 0.6808(5) 0.6141(3) 0.0478 1.0000 Uani . . . . . .
C222 C 0.6977(6) 0.7304(9) 0.6209(6) 0.0569 1.0000 Uani . . . . . .
O223 O 0.7248(4) 0.7451(5) 0.6470(4) 0.0573 1.0000 Uani . . . . . .
C224 C 0.6751(6) 0.7689(9) 0.5936(6) 0.0626 1.0000 Uani . . . . . .
C225 C 0.6516(9) 0.7551(12) 0.5647(7) 0.1115 1.0000 Uani . . . . . .
C226 C 0.6293(10) 0.7882(14) 0.5398(10) 0.1524 1.0000 Uani . . . . . .
C227 C 0.6328(9) 0.8374(14) 0.5436(10) 0.1408 1.0000 Uani . . . . . .
O228 O 0.6143(9) 0.8794(11) 0.5256(8) 0.2162 1.0000 Uani D . . . . .
C229 C 0.5911(13) 0.8700(17) 0.4956(11) 0.2243 1.0000 Uani D . . . . .
C230 C 0.6565(11) 0.8590(13) 0.5743(12) 0.1840 1.0000 Uani . . . . . .
C231 C 0.6780(9) 0.8232(11) 0.5978(9) 0.1202 1.0000 Uani . . . . . .
O232 O 0.7114(3) 0.4025(5) 0.5946(3) 0.0372 1.0000 Uani . . . . . .
C233 C 0.7066(5) 0.4128(8) 0.5639(5) 0.0457 1.0000 Uani . . . . . .
O234 O 0.7196(4) 0.4569(5) 0.5570(3) 0.0486 1.0000 Uani . . . . . .
C235 C 0.6872(7) 0.3756(9) 0.5390(6) 0.0655 1.0000 Uani . . . . . .
C236 C 0.6688(5) 0.3285(9) 0.5452(5) 0.0533 1.0000 Uani . . . . . .
C237 C 0.6495(6) 0.2922(9) 0.5195(5) 0.0570 1.0000 Uani . . . . . .
C238 C 0.6488(6) 0.3022(8) 0.4875(5) 0.0518 1.0000 Uani . . . . . .
O239 O 0.6309(5) 0.2611(8) 0.4648(4) 0.0865 1.0000 Uani . . . . . .
C240 C 0.6205(8) 0.2689(14) 0.4315(7) 0.1200 1.0000 Uani . . . . . .
C241 C 0.6653(6) 0.3459(9) 0.4798(5) 0.0611 1.0000 Uani . . . . . .
C242 C 0.6839(6) 0.3841(9) 0.5044(5) 0.0588 1.0000 Uani . . . . . .
O243 O 0.6245(3) 0.4204(5) 0.6396(3) 0.0419 1.0000 Uani . . . . . .
C244 C 0.6110(6) 0.4108(7) 0.6082(5) 0.0497 1.0000 Uani . . . . . .
O245 O 0.6335(3) 0.4088(5) 0.5915(3) 0.0411 1.0000 Uani . . . . . .
C246 C 0.5685(6) 0.3983(8) 0.5921(5) 0.0458 1.0000 Uani . . . . . .
C247 C 0.5544(6) 0.3735(9) 0.5596(5) 0.0635 1.0000 Uani . . . . . .
C248 C 0.5164(5) 0.3572(9) 0.5452(6) 0.0642 1.0000 Uani . . . . . .
C249 C 0.4907(6) 0.3618(9) 0.5621(6) 0.0654 1.0000 Uani . . . . . .
O250 O 0.4520(4) 0.3467(8) 0.5492(4) 0.0903 1.0000 Uani . . . . . .
C251 C 0.4389(7) 0.3209(14) 0.5165(8) 0.1356 1.0000 Uani . . . . . .
C252 C 0.5023(6) 0.3862(9) 0.5940(6) 0.0673 1.0000 Uani . . . . . .
C253 C 0.5417(6) 0.4033(8) 0.6088(5) 0.0548 1.0000 Uani . . . . . .
O254 O 0.6956(4) 0.3435(4) 0.6866(3) 0.0388 1.0000 Uani . . . . . .
O255 O 0.6637(4) 0.3114(5) 0.6204(3) 0.0466 1.0000 Uani . . . . . .
C256 C 0.6677(6) 0.2632(7) 0.6296(6) 0.0494 1.0000 Uani . . . . . .
O257 O 0.6941(4) 0.2430(5) 0.6539(4) 0.0631 1.0000 Uani . . . . . .
C258 C 0.6347(6) 0.2273(8) 0.6078(6) 0.0544 1.0000 Uani . . . . . .
C259 C 0.6338(8) 0.1730(9) 0.6121(7) 0.0810 1.0000 Uani . . . . . .
C260 C 0.6036(10) 0.1383(11) 0.5912(9) 0.1056 1.0000 Uani . . . . . .
C261 C 0.5738(9) 0.1634(13) 0.5678(8) 0.0907 1.0000 Uani . . . . . .
O262 O 0.5484(9) 0.1242(17) 0.5533(8) 0.1973 1.0000 Uani D . . . . .
C263 C 0.5278(14) 0.136(3) 0.5345(12) 0.2003 1.0000 Uani D . . . . .
C264 C 0.5729(8) 0.2159(12) 0.5619(7) 0.0913 1.0000 Uani . . . . . .
C265 C 0.6038(7) 0.2486(10) 0.5818(6) 0.0695 1.0000 Uani . . . . . .
O266 O 0.5749(3) 0.5095(5) 0.6636(3) 0.0385 1.0000 Uani . . . . . .
C267 C 0.5560(6) 0.5131(7) 0.6838(5) 0.0441 1.0000 Uani . . . . . .
O268 O 0.5734(3) 0.5148(5) 0.7156(3) 0.0421 1.0000 Uani . . . . . .
C269 C 0.5133(4) 0.5178(7) 0.6703(5) 0.0409 1.0000 Uani . . . . . .
C270 C 0.4908(5) 0.5216(8) 0.6906(5) 0.0464 1.0000 Uani . . . . . .
C271 C 0.4492(5) 0.5258(8) 0.6763(6) 0.0588 1.0000 Uani . . . . . .
C272 C 0.4308(5) 0.5249(10) 0.6424(6) 0.0640 1.0000 Uani . . . . . .
O273 O 0.3906(4) 0.5292(8) 0.6308(5) 0.0921 1.0000 Uani . . . . . .
C274 C 0.3727(8) 0.5429(17) 0.5956(7) 0.1607 1.0000 Uani . . . . . .
C275 C 0.4518(6) 0.5203(10) 0.6215(6) 0.0717 1.0000 Uani . . . . . .
C276 C 0.4932(6) 0.5169(7) 0.6361(5) 0.0485 1.0000 Uani . . . . . .
O277 O 0.7080(4) 0.5982(5) 0.8737(3) 0.0466 1.0000 Uani . . . . . .
C278 C 0.7000(6) 0.5892(10) 0.9003(4) 0.0493 1.0000 Uani . . . . . .
O279 O 0.7074(5) 0.5438(7) 0.9132(4) 0.0700 1.0000 Uani . . . . . .
C280 C 0.6898(8) 0.6302(11) 0.9177(6) 0.0775 1.0000 Uani . . . . . .
C281 C 0.6901(7) 0.6280(10) 0.9494(5) 0.0673 1.0000 Uani . . . . . .
C282 C 0.6801(10) 0.6690(13) 0.9662(7) 0.1019 1.0000 Uani . . . . . .
C283 C 0.6677(11) 0.7147(13) 0.9507(9) 0.1096 1.0000 Uani . . . . . .
O284 O 0.6540(10) 0.7632(15) 0.9611(9) 0.2442 1.0000 Uani D . . . . .
C286 C 0.6634(9) 0.7213(11) 0.9161(8) 0.0979 1.0000 Uani . . . . . .
C287 C 0.6740(7) 0.6769(10) 0.8999(7) 0.0818 1.0000 Uani . . . . . .
O288 O 0.7083(3) 0.6602(4) 0.7754(3) 0.0263 1.0000 Uani . . . . . .
O289 O 0.6741(3) 0.6967(4) 0.8204(3) 0.0407 1.0000 Uani . . . . . .
C290 C 0.6831(5) 0.7455(8) 0.8173(5) 0.0459 1.0000 Uani . . . . . .
O291 O 0.7133(4) 0.7594(5) 0.8120(3) 0.0446 1.0000 Uani . . . . . .
C292 C 0.6548(7) 0.7858(8) 0.8195(5) 0.0552 1.0000 Uani . . . . . .
C293 C 0.6184(7) 0.7698(9) 0.8204(7) 0.0766 1.0000 Uani . . . . . .
C294 C 0.5909(8) 0.8069(10) 0.8213(6) 0.0785 1.0000 Uani . . . . . .
C295 C 0.5975(10) 0.8593(13) 0.8208(8) 0.0990 1.0000 Uani . . . . . .
O296 O 0.5717(7) 0.8994(7) 0.8220(6) 0.1351 1.0000 Uani . . . . . .
C297 C 0.5321(13) 0.8829(12) 0.8200(14) 0.2793 1.0000 Uani . . . . . .
C298 C 0.6330(9) 0.8760(11) 0.8196(7) 0.0933 1.0000 Uani . . . . . .
C299 C 0.6630(7) 0.8408(9) 0.8191(6) 0.0734 1.0000 Uani . . . . . .
O300 O 0.7016(4) 0.4326(5) 0.8794(3) 0.0510 1.0000 Uani . . . . . .
C301 C 0.6637(7) 0.4293(9) 0.8770(5) 0.0566 1.0000 Uani . . . . . .
O302 O 0.6385(4) 0.4267(5) 0.8480(3) 0.0479 1.0000 Uani . . . . . .
C303 C 0.6553(5) 0.4194(8) 0.9068(5) 0.0486 1.0000 Uani . . . . . .
C304 C 0.6201(7) 0.3986(8) 0.9050(7) 0.0734 1.0000 Uani . . . . . .
C305 C 0.6108(9) 0.3880(12) 0.9328(7) 0.1031 1.0000 Uani . . . . . .
C306 C 0.6389(12) 0.3978(14) 0.9639(8) 0.1256 1.0000 Uani . . . . . .
O307 O 0.6356(12) 0.3860(13) 0.9952(8) 0.2574 1.0000 Uani D . . . . .
C308 C 0.6769(10) 0.4169(13) 0.9675(7) 0.1136 1.0000 Uani . . . . . .
C309 C 0.6834(8) 0.4285(9) 0.9388(5) 0.0724 1.0000 Uani . . . . . .
O310 O 0.7834(4) 0.4149(5) 0.9028(3) 0.0516 1.0000 Uani . . . . . .
C311 C 0.7923(6) 0.4305(12) 0.9340(5) 0.0654 1.0000 Uani . . . . . .
O312 O 0.7859(5) 0.4781(6) 0.9394(4) 0.0631 1.0000 Uani . . . . . .
C313 C 0.8073(6) 0.3905(10) 0.9595(6) 0.0655 1.0000 Uani . . . . . .
C314 C 0.8096(6) 0.4016(10) 0.9925(5) 0.0629 1.0000 Uani . . . . . .
C315 C 0.8228(6) 0.3634(10) 1.0188(5) 0.0691 1.0000 Uani . . . . . .
C316 C 0.8337(5) 0.3123(10) 1.0110(6) 0.0602 1.0000 Uani . . . . . .
O317 O 0.8476(5) 0.2748(8) 1.0350(5) 0.0926 1.0000 Uani . . . . . .
C318 C 0.8551(9) 0.2890(11) 1.0680(7) 0.1011 1.0000 Uani . . . . . .
C319 C 0.8328(6) 0.3006(9) 0.9795(5) 0.0617 1.0000 Uani . . . . . .
C320 C 0.8195(5) 0.3397(9) 0.9553(5) 0.0569 1.0000 Uani . . . . . .
O321 O 0.6925(4) 0.3511(5) 0.7793(3) 0.0454 1.0000 Uani . . . . . .
O322 O 0.6578(4) 0.3300(5) 0.8285(3) 0.0456 1.0000 Uani . . . . . .
C323 C 0.6633(7) 0.2817(9) 0.8280(5) 0.0568 1.0000 Uani . . . . . .
O324 O 0.6905(4) 0.2578(5) 0.8200(3) 0.0595 1.0000 Uani . . . . . .
C325 C 0.6389(9) 0.2459(9) 0.8390(6) 0.0800 1.0000 Uani . . . . . .
C326 C 0.6057(8) 0.2657(10) 0.8455(7) 0.0867 1.0000 Uani . . . . . .
C327 C 0.5786(8) 0.2372(10) 0.8532(7) 0.0912 1.0000 Uani . . . . . .
C328 C 0.5828(10) 0.1820(13) 0.8537(8) 0.1138 1.0000 Uani . . . . . .
O329 O 0.5612(8) 0.1465(7) 0.8644(7) 0.1484 1.0000 Uani . . . . . .
C330 C 0.5226(12) 0.1677(14) 0.8679(11) 0.1785 1.0000 Uani . . . . . .
C331 C 0.6184(11) 0.1578(10) 0.8504(9) 0.1454 1.0000 Uani . . . . . .
C332 C 0.6421(9) 0.1909(8) 0.8411(6) 0.0864 1.0000 Uani . . . . . .
O333 O 0.8222(4) 0.3110(6) 0.8784(3) 0.0561 1.0000 Uani . . . . . .
C334 C 0.8124(9) 0.2643(10) 0.8705(7) 0.0760 1.0000 Uani . . . . . .
O335 O 0.7824(6) 0.2469(7) 0.8466(5) 0.0876 1.0000 Uani . . . . . .
C336 C 0.8405(7) 0.2207(11) 0.8886(5) 0.2551 1.0000 Uani D . . . . .
C337 C 0.8775(8) 0.2330(7) 0.9114(5) 0.2560 1.0000 Uani D . . . . .
C338 C 0.9021(6) 0.1930(7) 0.9296(4) 0.2592 1.0000 Uani D . . . . .
C339 C 0.8895(5) 0.1407(7) 0.9251(4) 0.2601 1.0000 Uani D . . . . .
O340 O 0.9138(7) 0.1010(8) 0.9435(5) 0.2691 1.0000 Uani D . . . . .
C341 C 0.9546(11) 0.1238(15) 0.9610(12) 0.2986 1.0000 Uani D . . . . .
C342 C 0.8524(6) 0.1283(9) 0.9025(4) 0.2611 1.0000 Uani D . . . . .
C343 C 0.8278(5) 0.1683(12) 0.8842(4) 0.2587 1.0000 Uani D . . . . .
O344 O 0.7083(8) 0.2103(10) 0.7699(6) 0.1405 1.0000 Uani D . . . . .
C345 C 0.6866(12) 0.2109(15) 0.7400(10) 0.1335 1.0000 Uani D . . . . .
O346 O 0.6929(6) 0.2448(9) 0.7218(9) 0.2027 1.0000 Uani . . . . . .
C347 C 0.6498(5) 0.1734(8) 0.7282(8) 0.2024 1.0000 Uani D . . . . .
C348 C 0.6432(5) 0.1380(10) 0.7452(6) 0.2066 1.0000 Uani D . . . . .
C349 C 0.6145(6) 0.1093(8) 0.7329(5) 0.2100 1.0000 Uani D . . . . .
C350 C 0.5979(5) 0.1086(6) 0.7025(5) 0.2083 1.0000 Uani D . . . . .
O351 O 0.5618(5) 0.0709(8) 0.6867(8) 0.2148 1.0000 Uani D . . . . .
C352 C 0.6318(7) 0.1739(6) 0.6977(8) 0.2010 1.0000 Uani D . . . . .
C353 C 0.6031(6) 0.1450(7) 0.6857(5) 0.2036 1.0000 Uani D . . . . .
O354 O 0.7830(5) 0.2363(9) 0.7760(11) 0.2409 1.0000 Uani . . . . . .
C355 C 0.7844(12) 0.1994(14) 0.7599(11) 0.1237 1.0000 Uani D . . . . .
O356 O 0.7636(8) 0.1998(8) 0.7297(6) 0.1293 1.0000 Uani D . . . . .
C357 C 0.8107(8) 0.1544(9) 0.7737(8) 0.0781 1.0000 Uani . . . . . .
C358 C 0.8367(8) 0.1551(13) 0.8058(8) 0.0947 1.0000 Uani . . . . . .
C359 C 0.8630(7) 0.1160(13) 0.8195(8) 0.1049 1.0000 Uani . . . . . .
C360 C 0.8648(7) 0.0728(9) 0.8011(7) 0.0649 1.0000 Uani . . . . . .
O361 O 0.8876(6) 0.0309(7) 0.8120(5) 0.0977 1.0000 Uani . . . . . .
C362 C 0.9160(9) 0.0333(15) 0.8432(8) 0.1409 1.0000 Uani . . . . . .
C363 C 0.8373(8) 0.0703(10) 0.7668(7) 0.0862 1.0000 Uani . . . . . .
C364 C 0.8137(8) 0.1122(9) 0.7549(6) 0.0811 1.0000 Uani . . . . . .
N365 N 0.8588(4) 0.3082(6) 0.7863(4) 0.0440 1.0000 Uani . . . . . .
C366 C 0.8670(6) 0.2772(8) 0.7637(7) 0.0672 1.0000 Uani . . . . . .
C367 C 0.8970(6) 0.2387(8) 0.7751(5) 0.0498 1.0000 Uani . . . . . .
C368 C 0.9168(6) 0.2304(8) 0.8081(5) 0.0567 1.0000 Uani . . . . . .
C369 C 0.9078(6) 0.2619(9) 0.8316(6) 0.0628 1.0000 Uani . . . . . .
C370 C 0.8772(7) 0.2995(9) 0.8182(5) 0.0636 1.0000 Uani . . . . . .
N371 N 0.6266(3) 0.3349(4) 0.7089(5) 0.1346 1.0000 Uani D . . . . .
C372 C 0.6098(5) 0.3183(4) 0.6783(4) 0.1422 1.0000 Uani D . . . . .
C373 C 0.5742(5) 0.2980(4) 0.6670(4) 0.1531 1.0000 Uani D . . . . .
C374 C 0.5484(4) 0.2884(4) 0.6816(6) 0.1589 1.0000 Uani D . . . . .
C375 C 0.5684(4) 0.3053(5) 0.7122(5) 0.1599 1.0000 Uani D . . . . .
C376 C 0.6036(5) 0.3263(4) 0.7256(4) 0.1467 1.0000 Uani D . . . . .
N377 N 0.8818(3) 0.6526(4) 0.7936(2) 0.0536 1.0000 Uani D . . . . .
C378 C 0.9154(4) 0.6325(4) 0.7900(2) 0.0663 1.0000 Uani D . . . . .
C379 C 0.9517(3) 0.6476(4) 0.8083(3) 0.0758 1.0000 Uani D . . . . .
C380 C 0.9579(3) 0.6859(5) 0.8324(3) 0.0714 1.0000 Uani D . . . . .
C381 C 0.9253(4) 0.7071(4) 0.8368(2) 0.0618 1.0000 Uani D . . . . .
C382 C 0.8895(3) 0.6905(4) 0.8184(3) 0.0591 1.0000 Uani D . . . . .
N383 N 0.6441(4) 0.6819(6) 0.7067(4) 0.0492 1.0000 Uani . . . . . .
C384 C 0.6280(9) 0.7001(11) 0.7298(9) 0.1323 1.0000 Uani . . . . . .
C385 C 0.5909(9) 0.7258(12) 0.7150(10) 0.1325 1.0000 Uani . . . . . .
C386 C 0.5743(8) 0.7404(13) 0.6832(10) 0.1201 1.0000 Uani . . . . . .
C387 C 0.5934(9) 0.7264(12) 0.6616(8) 0.1331 1.0000 Uani . . . . . .
C388 C 0.6272(8) 0.6952(11) 0.6763(7) 0.0994 1.0000 Uani . . . . . .
O389 O 0.8103(5) 0.7540(8) 0.7766(8) 0.1709 1.0000 Uani . . . . . .
C390 C 0.8143(8) 0.7847(13) 0.7558(7) 0.0845 1.0000 Uani . . . . . .
O391 O 0.7944(6) 0.7817(7) 0.7254(5) 0.0935 1.0000 Uani . . . . . .
C392 C 0.8465(7) 0.8248(9) 0.7655(6) 0.0594 1.0000 Uani . . . . . .
C393 C 0.8557(7) 0.8600(8) 0.7443(6) 0.0695 1.0000 Uani . . . . . .
C394 C 0.8831(6) 0.8976(9) 0.7531(5) 0.0587 1.0000 Uani . . . . . .
C395 C 0.9051(6) 0.9011(8) 0.7854(6) 0.0568 1.0000 Uani . . . . . .
O396 O 0.9374(5) 0.9348(7) 0.7979(5) 0.0856 1.0000 Uani . . . . . .
C397 C 0.9428(8) 0.9713(11) 0.7775(10) 0.1388 1.0000 Uani . . . . . .
C398 C 0.8980(9) 0.8690(12) 0.8085(6) 0.0869 1.0000 Uani . . . . . .
C399 C 0.8698(7) 0.8321(10) 0.7998(6) 0.0690 1.0000 Uani . . . . . .
O400 O 0.7354(8) 0.7932(9) 0.7620(6) 0.1391 1.0000 Uani . . . . . .
C401 C 0.7163(10) 0.7942(14) 0.7315(11) 0.1105 1.0000 Uani . . . . . .
O402 O 0.7196(5) 0.7552(9) 0.7153(10) 0.2407 1.0000 Uani . . . . . .
C403 C 0.6878(4) 0.8363(7) 0.7159(6) 0.1348 1.0000 Uani D . . . . .
C404 C 0.6845(4) 0.8773(8) 0.7358(4) 0.1385 1.0000 Uani D . . . . .
C405 C 0.6597(4) 0.9189(7) 0.7221(4) 0.1398 1.0000 Uani D . . . . .
C406 C 0.6383(3) 0.9195(5) 0.6884(4) 0.1385 1.0000 Uani D . . . . .
O407 O 0.6151(4) 0.9581(6) 0.6757(6) 0.1465 1.0000 Uani D . . . . .
C408 C 0.5896(11) 0.9773(16) 0.6556(11) 0.1789 1.0000 Uani D . . . . .
C409 C 0.6416(4) 0.8785(6) 0.6685(4) 0.1389 1.0000 Uani D . . . . .
C410 C 0.6663(5) 0.8369(5) 0.6822(6) 0.1370 1.0000 Uani D . . . . .
N411 N 0.7593(4) 0.7326(6) 0.8919(5) 0.0579 1.0000 Uani . . . . . .
C412 C 0.7661(7) 0.7122(9) 0.9230(6) 0.0704 1.0000 Uani . . . . . .
C413 C 0.7686(10) 0.7409(13) 0.9515(8) 0.1177 1.0000 Uani . . . . . .
C414 C 0.7595(14) 0.7947(14) 0.9487(8) 0.1691 1.0000 Uani . . . . . .
C415 C 0.7531(12) 0.8182(10) 0.9164(8) 0.1317 1.0000 Uani . . . . . .
C416 C 0.7527(7) 0.7857(9) 0.8901(6) 0.0663 1.0000 Uani . . . . . .
N417 N 0.7689(3) 0.7092(4) 0.6010(3) 0.0592 1.0000 Uani D . . . . .
C418 C 0.7799(3) 0.7612(5) 0.6014(3) 0.0644 1.0000 Uani D . . . . .
C419 C 0.7794(3) 0.7899(4) 0.5736(4) 0.0821 1.0000 Uani D . . . . .
C420 C 0.7665(3) 0.7660(6) 0.5425(3) 0.0943 1.0000 Uani D . . . . .
C421 C 0.7546(3) 0.7139(6) 0.5406(3) 0.0887 1.0000 Uani D . . . . .
C422 C 0.7561(3) 0.6875(4) 0.5695(4) 0.0704 1.0000 Uani D . . . . .
N423 N 0.7464(4) 0.2643(6) 0.6039(5) 0.0584 1.0000 Uani . . . . . .
C424 C 0.7590(5) 0.2833(9) 0.5787(5) 0.0482 1.0000 Uani . . . . . .
C425 C 0.7574(7) 0.2564(8) 0.5508(5) 0.0600 1.0000 Uani . . . . . .
C426 C 0.7444(8) 0.2049(10) 0.5458(6) 0.0785 1.0000 Uani . . . . . .
C427 C 0.7308(9) 0.1822(10) 0.5704(6) 0.0869 1.0000 Uani . . . . . .
C428 C 0.7331(7) 0.2139(9) 0.5973(5) 0.0642 1.0000 Uani . . . . . .
N429 N 0.7358(5) 0.2853(7) 0.8930(5) 0.0771 1.0000 Uani . . . . . .
C430 C 0.7256(7) 0.3125(10) 0.9187(7) 0.0750 1.0000 Uani . . . . . .
C431 C 0.7222(8) 0.2923(15) 0.9470(6) 0.1020 1.0000 Uani . . . . . .
C432 C 0.7274(8) 0.2376(14) 0.9534(7) 0.1002 1.0000 Uani . . . . . .
C433 C 0.7351(7) 0.2090(11) 0.9289(7) 0.0862 1.0000 Uani . . . . . .
C434 C 0.7365(9) 0.2314(11) 0.8994(7) 0.1027 1.0000 Uani . . . . . .
N435 N 0.4401(8) 0.5219(10) 0.5413(5) 0.0905 1.0000 Uani . . . . . .
C436 C 0.4100(7) 0.5465(10) 0.5164(7) 0.0761 1.0000 Uani . . . . . .
C437 C 0.4021(7) 0.5382(10) 0.4841(5) 0.0679 1.0000 Uani . . . . . .
C438 C 0.4248(6) 0.5030(11) 0.4748(5) 0.0692 1.0000 Uani . . . . . .
C439 C 0.4542(7) 0.4779(10) 0.4984(6) 0.0734 1.0000 Uani . . . . . .
C440 C 0.4609(8) 0.4931(10) 0.5312(6) 0.0699 1.0000 Uani . . . . . .
N441 N 0.9251(7) 0.5149(8) 1.0384(5) 0.0780 1.0000 Uani . . . . . .
C442 C 0.9544(8) 0.5347(10) 1.0294(5) 0.0732 1.0000 Uani . . . . . .
C443 C 0.9559(6) 0.5337(8) 0.9977(5) 0.0557 1.0000 Uani . . . . . .
C444 C 0.9260(7) 0.5070(9) 0.9739(6) 0.0641 1.0000 Uani . . . . . .
C445 C 0.8973(7) 0.4820(10) 0.9823(6) 0.0752 1.0000 Uani . . . . . .
C446 C 0.8994(8) 0.4883(11) 1.0156(6) 0.0834 1.0000 Uani . . . . . .
N447 N 0.8090(5) 0.9890(6) 0.6861(4) 0.1204 1.0000 Uani D . . . . .
C448 C 0.7771(5) 0.9725(8) 0.6969(3) 0.1170 1.0000 Uani D . . . . .
C449 C 0.7587(4) 0.9261(10) 0.6893(4) 0.1189 1.0000 Uani D . . . . .
C450 C 0.7670(6) 0.8897(6) 0.6709(4) 0.1227 1.0000 Uani D . . . . .
C451 C 0.7955(6) 0.9009(8) 0.6599(3) 0.1192 1.0000 Uani D . . . . .
C452 C 0.8157(4) 0.9461(9) 0.6661(4) 0.1133 1.0000 Uani D . . . . .
N453 N 0.9775(6) 0.4689(4) 0.6060(8) 0.1688 1.0000 Uani D . . . . .
C454 C 0.9719(7) 0.4681(4) 0.6381(6) 0.1681 1.0000 Uani D . . . . .
C455 C 0.9382(10) 0.4777(5) 0.6420(6) 0.1643 1.0000 Uani D . . . . .
C456 C 0.9127(6) 0.4878(4) 0.6114(8) 0.1685 1.0000 Uani D . . . . .
C457 C 0.9078(7) 0.4914(4) 0.5789(7) 0.1719 1.0000 Uani D . . . . .
C458 C 0.9425(9) 0.4811(5) 0.5772(5) 0.1717 1.0000 Uani D . . . . .
N459 N 0.9571(4) 0.2626(7) 0.6189(6) 0.1232 1.0000 Uani D . . . . .
C460 C 0.9714(5) 0.2678(6) 0.5944(4) 0.1235 1.0000 Uani D . . . . .
C461 C 0.9964(5) 0.3021(9) 0.5897(4) 0.1212 1.0000 Uani D . . . . .
C462 C 1.0084(4) 0.3363(7) 0.6142(6) 0.1333 1.0000 Uani D . . . . .
C463 C 0.9983(5) 0.3390(7) 0.6408(5) 0.1301 1.0000 Uani D . . . . .
C464 C 0.9731(5) 0.3014(9) 0.6406(4) 0.1248 1.0000 Uani D . . . . .
N465 N 0.6767(4) 0.0298(6) 0.6487(7) 0.1710 1.0000 Uani D . . . . .
C466 C 0.6861(5) 0.0576(8) 0.6770(6) 0.1657 1.0000 Uani D . . . . .
C467 C 0.7118(6) 0.0984(8) 0.6903(5) 0.1563 1.0000 Uani D . . . . .
C468 C 0.7301(4) 0.1098(6) 0.6677(6) 0.1525 1.0000 Uani D . . . . .
C469 C 0.7259(5) 0.0872(9) 0.6371(6) 0.1576 1.0000 Uani D . . . . .
C470 C 0.6981(5) 0.0481(7) 0.6314(5) 0.1671 1.0000 Uani D . . . . .
N471 N 0.7640(4) 0.8902(6) 0.8209(7) 0.1751 1.0000 Uani D . . . . .
C472 C 0.7844(6) 0.9034(9) 0.7988(5) 0.1713 1.0000 Uani D . . . . .
C473 C 0.8070(5) 0.9436(10) 0.8084(6) 0.1764 1.0000 Uani D . . . . .
C474 C 0.8167(4) 0.9770(7) 0.8339(8) 0.1770 1.0000 Uani D . . . . .
C475 C 0.7957(6) 0.9604(8) 0.8517(5) 0.1763 1.0000 Uani D . . . . .
C476 C 0.7713(5) 0.9230(10) 0.8497(6) 0.1755 1.0000 Uani D . . . . .
C477 C 0.9172(13) 0.8991(18) 0.9634(14) 0.2469 1.0000 Uani D . . . . .
C600 C 0.8633(10) 0.6983(9) 0.4944(5) 0.1351 1.0000 Uani D . . . . .
C579 C 0.5438(14) 0.0721(19) 0.7083(12) 0.2245 1.0000 Uani D . . . . .
C1 C 0.6145(16) 0.3582(19) 1.0020(11) 0.2636 1.0000 Uani D . . . . .
C221 C 0.6682(16) 0.772(2) 0.9884(13) 0.2621 1.0000 Uani D . . . . .
C2 C 0.4465(10) 0.7322(14) 0.7553(10) 0.1817 1.0000 Uani D . . . . .
H291 H 0.5584 0.6114 0.7354 0.1099 1.0000 Uiso R . . . . .
H301 H 0.4940 0.6430 0.7164 0.1528 1.0000 Uiso R . . . . .
H341 H 0.5057 0.6770 0.8129 0.1541 1.0000 Uiso R . . . . .
H351 H 0.5722 0.6561 0.8298 0.1318 1.0000 Uiso R . . . . .
H411 H 0.5785 0.3469 0.7853 0.0651 1.0000 Uiso R . . . . .
H421 H 0.5230 0.3051 0.7841 0.0842 1.0000 Uiso R . . . . .
H451 H 0.4001 0.3344 0.7686 0.1515 1.0000 Uiso R . . . . .
H452 H 0.4220 0.3839 0.7881 0.1515 1.0000 Uiso R . . . . .
H453 H 0.4115 0.3804 0.7495 0.1515 1.0000 Uiso R . . . . .
H461 H 0.4630 0.4373 0.7710 0.1123 1.0000 Uiso R . . . . .
H471 H 0.5201 0.4857 0.7738 0.0806 1.0000 Uiso R . . . . .
H671 H 0.9832 0.4154 0.7286 0.0455 1.0000 Uiso R . . . . .
H681 H 1.0323 0.3580 0.7353 0.0485 1.0000 Uiso R . . . . .
H711 H 1.0792 0.2343 0.7422 0.0683 1.0000 Uiso R . . . . .
H712 H 1.0739 0.2834 0.7622 0.0683 1.0000 Uiso R . . . . .
H713 H 1.0669 0.2886 0.7242 0.0683 1.0000 Uiso R . . . . .
H721 H 0.9539 0.2369 0.7234 0.0549 1.0000 Uiso R . . . . .
H731 H 0.9032 0.2978 0.7144 0.0503 1.0000 Uiso R . . . . .
H791 H 0.7862 0.4028 0.5568 0.0594 1.0000 Uiso R . . . . .
H801 H 0.8001 0.3865 0.5083 0.0672 1.0000 Uiso R . . . . .
H831 H 0.8424 0.3299 0.4607 0.3670 1.0000 Uiso R . . . . .
H832 H 0.8245 0.3761 0.4747 0.3670 1.0000 Uiso R . . . . .
H833 H 0.8113 0.3180 0.4771 0.3670 1.0000 Uiso R . . . . .
H841 H 0.9108 0.3362 0.5650 0.0908 1.0000 Uiso R . . . . .
H851 H 0.8973 0.3558 0.6133 0.0742 1.0000 Uiso R . . . . .
H921 H 0.8791 0.2599 0.6577 0.0515 1.0000 Uiso R . . . . .
H931 H 0.9190 0.1998 0.6429 0.0612 1.0000 Uiso R . . . . .
H961 H 0.9520 0.0845 0.6193 0.1228 1.0000 Uiso R . . . . .
H962 H 0.9616 0.1253 0.6485 0.1228 1.0000 Uiso R . . . . .
H963 H 0.9387 0.1432 0.6118 0.1228 1.0000 Uiso R . . . . .
H971 H 0.8408 0.0852 0.6402 0.0722 1.0000 Uiso R . . . . .
H981 H 0.8054 0.1436 0.6588 0.0607 1.0000 Uiso R . . . . .
H1041 H 0.9604 0.5632 0.7592 0.0532 1.0000 Uiso R . . . . .
H1051 H 1.0268 0.5844 0.7752 0.0585 1.0000 Uiso R . . . . .
H1081 H 1.1153 0.6262 0.7707 0.0982 1.0000 Uiso R . . . . .
H1082 H 1.0794 0.6379 0.7814 0.0982 1.0000 Uiso R . . . . .
H1083 H 1.0901 0.5797 0.7761 0.0982 1.0000 Uiso R . . . . .
H1091 H 1.0138 0.6203 0.6800 0.0624 1.0000 Uiso R . . . . .
H1101 H 0.9467 0.5984 0.6627 0.0352 1.0000 Uiso R . . . . .
H1211 H 0.9102 0.6585 0.8979 0.0597 1.0000 Uiso R . . . . .
H1221 H 0.9626 0.7085 0.9341 0.0832 1.0000 Uiso R . . . . .
H1251 H 1.0883 0.6864 0.9898 0.1196 1.0000 Uiso R . . . . .
H1252 H 1.0714 0.6298 0.9900 0.1196 1.0000 Uiso R . . . . .
H1253 H 1.0771 0.6512 0.9578 0.1196 1.0000 Uiso R . . . . .
H1271 H 0.9793 0.5292 0.9181 0.0760 1.0000 Uiso R . . . . .
H1341 H 0.7782 0.5865 0.9613 0.0595 1.0000 Uiso R . . . . .
H1351 H 0.7944 0.6041 1.0185 0.0638 1.0000 Uiso R . . . . .
H1381 H 0.8908 0.6691 1.1014 0.0998 1.0000 Uiso R . . . . .
H1382 H 0.9100 0.6335 1.0816 0.0998 1.0000 Uiso R . . . . .
H1383 H 0.8972 0.6911 1.0696 0.0998 1.0000 Uiso R . . . . .
H1391 H 0.9036 0.6456 1.0282 0.0777 1.0000 Uiso R . . . . .
H1401 H 0.8916 0.6200 0.9731 0.0639 1.0000 Uiso R . . . . .
H1461 H 0.8364 0.8374 0.8600 0.0799 1.0000 Uiso R . . . . .
H1471 H 0.8837 0.9008 0.8892 0.1269 1.0000 Uiso R . . . . .
H1501 H 0.9335 0.7857 0.9594 0.1031 1.0000 Uiso R . . . . .
H1511 H 0.8821 0.7325 0.9300 0.1071 1.0000 Uiso R . . . . .
H1571 H 0.9448 0.3895 0.8696 0.0484 1.0000 Uiso R . . . . .
H1581 H 1.0077 0.3537 0.8969 0.0713 1.0000 Uiso R . . . . .
H1611 H 1.0646 0.2658 0.9894 0.2255 1.0000 Uiso R . . . . .
H1612 H 1.0388 0.3051 1.0008 0.2255 1.0000 Uiso R . . . . .
H1613 H 1.0197 0.2554 0.9798 0.2255 1.0000 Uiso R . . . . .
H1621 H 0.9779 0.3177 0.9766 0.0869 1.0000 Uiso R . . . . .
H1631 H 0.9196 0.3684 0.9536 0.0841 1.0000 Uiso R . . . . .
H1681 H 1.0020 0.4768 0.7829 0.0509 1.0000 Uiso R . . . . .
H1691 H 1.0720 0.4783 0.8074 0.0522 1.0000 Uiso R . . . . .
H1721 H 1.1628 0.4798 0.9099 0.0970 1.0000 Uiso R . . . . .
H1722 H 1.1279 0.5143 0.9115 0.0970 1.0000 Uiso R . . . . .
H1723 H 1.1267 0.4530 0.9150 0.0970 1.0000 Uiso R . . . . .
H1731 H 1.0644 0.4722 0.9006 0.0538 1.0000 Uiso R . . . . .
H1741 H 0.9957 0.4769 0.8765 0.0480 1.0000 Uiso R . . . . .
H1791 H 0.8480 0.6465 0.6169 0.0846 1.0000 Uiso R . . . . .
H1801 H 0.8703 0.7117 0.5868 0.1343 1.0000 Uiso R . . . . .
H1831 H 0.8323 0.6258 0.5045 0.1025 1.0000 Uiso R . . . . .
H1841 H 0.8193 0.5520 0.5354 0.0706 1.0000 Uiso R . . . . .
H1901 H 0.9189 0.6911 0.6773 0.0464 1.0000 Uiso R . . . . .
H1911 H 0.9722 0.7462 0.6791 0.0642 1.0000 Uiso R . . . . .
H1941 H 1.0246 0.8631 0.6803 0.0669 1.0000 Uiso R . . . . .
H1942 H 1.0202 0.8190 0.7042 0.0669 1.0000 Uiso R . . . . .
H1943 H 1.0110 0.8066 0.6665 0.0669 1.0000 Uiso R . . . . .
H1951 H 0.9016 0.8735 0.6705 0.0441 1.0000 Uiso R . . . . .
H1961 H 0.8510 0.8188 0.6682 0.0493 1.0000 Uiso R . . . . .
H2011 H 0.7357 0.5601 0.5336 0.0563 1.0000 Uiso R . . . . .
H2021 H 0.7237 0.5673 0.4779 0.0737 1.0000 Uiso R . . . . .
H2051 H 0.6204 0.6040 0.3865 0.3041 1.0000 Uiso R . . . . .
H2052 H 0.6198 0.6398 0.4160 0.3041 1.0000 Uiso R . . . . .
H2053 H 0.6031 0.5825 0.4126 0.3041 1.0000 Uiso R . . . . .
H2061 H 0.6088 0.5948 0.4616 0.0889 1.0000 Uiso R . . . . .
H2071 H 0.6206 0.5856 0.5178 0.0644 1.0000 Uiso R . . . . .
H2131 H 0.5304 0.5587 0.5780 0.0539 1.0000 Uiso R . . . . .
H2141 H 0.4816 0.6163 0.5473 0.0511 1.0000 Uiso R . . . . .
H2181 H 0.5650 0.7326 0.5629 0.0661 1.0000 Uiso R . . . . .
H2191 H 0.6123 0.6724 0.5929 0.0578 1.0000 Uiso R . . . . .
H2251 H 0.6476 0.7159 0.5612 0.0962 1.0000 Uiso R . . . . .
H2261 H 0.6130 0.7748 0.5167 0.1587 1.0000 Uiso R . . . . .
H2291 H 0.5791 0.8960 0.4794 0.3215 1.0000 Uiso R . . . . .
H2292 H 0.6014 0.8425 0.4824 0.3215 1.0000 Uiso R . . . . .
H2293 H 0.5684 0.8482 0.4976 0.3215 1.0000 Uiso R . . . . .
H2301 H 0.6586 0.8982 0.5772 0.1837 1.0000 Uiso R . . . . .
H2311 H 0.6946 0.8328 0.6184 0.1653 1.0000 Uiso R . . . . .
H2361 H 0.6729 0.3202 0.5683 0.0472 1.0000 Uiso R . . . . .
H2371 H 0.6378 0.2611 0.5244 0.0591 1.0000 Uiso R . . . . .
H2401 H 0.6091 0.2373 0.4188 0.1126 1.0000 Uiso R . . . . .
H2402 H 0.6427 0.2786 0.4248 0.1126 1.0000 Uiso R . . . . .
H2403 H 0.6012 0.2969 0.4234 0.1126 1.0000 Uiso R . . . . .
H2411 H 0.6623 0.3538 0.4569 0.0585 1.0000 Uiso R . . . . .
H2421 H 0.6985 0.4113 0.4994 0.0668 1.0000 Uiso R . . . . .
H2471 H 0.5722 0.3726 0.5474 0.0552 1.0000 Uiso R . . . . .
H2481 H 0.5087 0.3406 0.5243 0.0780 1.0000 Uiso R . . . . .
H2511 H 0.4128 0.3121 0.5099 0.1076 1.0000 Uiso R . . . . .
H2512 H 0.4557 0.2925 0.5172 0.1076 1.0000 Uiso R . . . . .
H2513 H 0.4427 0.3479 0.5011 0.1076 1.0000 Uiso R . . . . .
H2521 H 0.4845 0.3906 0.6058 0.0658 1.0000 Uiso R . . . . .
H2531 H 0.5496 0.4208 0.6300 0.0468 1.0000 Uiso R . . . . .
H2591 H 0.6562 0.1598 0.6283 0.0767 1.0000 Uiso R . . . . .
H2601 H 0.6040 0.1006 0.5962 0.0957 1.0000 Uiso R . . . . .
H2631 H 0.5072 0.1046 0.5266 0.3807 1.0000 Uiso R . . . . .
H2632 H 0.5101 0.1633 0.5384 0.3807 1.0000 Uiso R . . . . .
H2633 H 0.5375 0.1425 0.5201 0.3807 1.0000 Uiso R . . . . .
H2641 H 0.5518 0.2333 0.5450 0.0945 1.0000 Uiso R . . . . .
H2651 H 0.6056 0.2833 0.5773 0.0777 1.0000 Uiso R . . . . .
H2701 H 0.5033 0.5230 0.7141 0.0501 1.0000 Uiso R . . . . .
H2711 H 0.4336 0.5286 0.6903 0.0815 1.0000 Uiso R . . . . .
H2741 H 0.3440 0.5435 0.5889 0.1331 1.0000 Uiso R . . . . .
H2742 H 0.3807 0.5745 0.5882 0.1331 1.0000 Uiso R . . . . .
H2743 H 0.3774 0.5139 0.5812 0.1331 1.0000 Uiso R . . . . .
H2751 H 0.4390 0.5187 0.5983 0.0752 1.0000 Uiso R . . . . .
H2761 H 0.5083 0.5172 0.6218 0.0542 1.0000 Uiso R . . . . .
H2811 H 0.6967 0.5942 0.9595 0.0874 1.0000 Uiso R . . . . .
H2821 H 0.6793 0.6620 0.9887 0.1264 1.0000 Uiso R . . . . .
H2861 H 0.6543 0.7519 0.9035 0.1078 1.0000 Uiso R . . . . .
H2871 H 0.6713 0.6792 0.8773 0.0859 1.0000 Uiso R . . . . .
H2931 H 0.6127 0.7324 0.8222 0.0789 1.0000 Uiso R . . . . .
H2941 H 0.5647 0.7959 0.8181 0.1051 1.0000 Uiso R . . . . .
H2981 H 0.6386 0.9139 0.8193 0.1123 1.0000 Uiso R . . . . .
H2991 H 0.6885 0.8538 0.8188 0.0885 1.0000 Uiso R . . . . .
H3041 H 0.6018 0.3878 0.8840 0.0974 1.0000 Uiso R . . . . .
H3051 H 0.5839 0.3767 0.9301 0.1124 1.0000 Uiso R . . . . .
H3081 H 0.6933 0.4289 0.9882 0.1190 1.0000 Uiso R . . . . .
H3091 H 0.7093 0.4371 0.9396 0.0732 1.0000 Uiso R . . . . .
H3151 H 0.8268 0.3698 1.0422 0.0750 1.0000 Uiso R . . . . .
H3191 H 0.8419 0.2677 0.9764 0.0730 1.0000 Uiso R . . . . .
H3201 H 0.8193 0.3311 0.9334 0.0694 1.0000 Uiso R . . . . .
H3261 H 0.6008 0.3025 0.8444 0.0870 1.0000 Uiso R . . . . .
H3271 H 0.5594 0.2521 0.8596 0.0918 1.0000 Uiso R . . . . .
H3311 H 0.6245 0.1216 0.8550 0.1134 1.0000 Uiso R . . . . .
H3321 H 0.6636 0.1750 0.8371 0.0966 1.0000 Uiso R . . . . .
H3371 H 0.8832 0.2677 0.9207 0.2628 1.0000 Uiso R . . . . .
H3381 H 0.9297 0.1989 0.9400 0.2698 1.0000 Uiso R . . . . .
H3411 H 0.9680 0.0939 0.9695 0.3005 1.0000 Uiso R . . . . .
H3412 H 0.9352 0.1313 0.9723 0.3005 1.0000 Uiso R . . . . .
H3413 H 0.9619 0.1495 0.9527 0.3005 1.0000 Uiso R . . . . .
H3421 H 0.8472 0.0934 0.8933 0.2769 1.0000 Uiso R . . . . .
H3431 H 0.8004 0.1616 0.8728 0.2619 1.0000 Uiso R . . . . .
H3481 H 0.6496 0.1525 0.7676 0.2058 1.0000 Uiso R . . . . .
H3491 H 0.6060 0.0882 0.7477 0.2298 1.0000 Uiso R . . . . .
H3521 H 0.6340 0.2026 0.6839 0.1871 1.0000 Uiso R . . . . .
H3531 H 0.5804 0.1498 0.6664 0.2061 1.0000 Uiso R . . . . .
H3581 H 0.8356 0.1858 0.8194 0.1077 1.0000 Uiso R . . . . .
H3591 H 0.8793 0.1180 0.8422 0.1003 1.0000 Uiso R . . . . .
H3631 H 0.8373 0.0390 0.7538 0.0944 1.0000 Uiso R . . . . .
H3641 H 0.7965 0.1107 0.7324 0.0982 1.0000 Uiso R . . . . .
H3661 H 0.8535 0.2817 0.7410 0.0619 1.0000 Uiso R . . . . .
H3671 H 0.9030 0.2186 0.7594 0.0552 1.0000 Uiso R . . . . .
H3681 H 0.9377 0.2047 0.8160 0.0810 1.0000 Uiso R . . . . .
H3691 H 0.9203 0.2591 0.8543 0.0679 1.0000 Uiso R . . . . .
H3701 H 0.8696 0.3184 0.8335 0.0650 1.0000 Uiso R . . . . .
H3721 H 0.6220 0.3261 0.6620 0.1167 1.0000 Uiso R . . . . .
H3731 H 0.5708 0.2733 0.6478 0.1370 1.0000 Uiso R . . . . .
H3741 H 0.5197 0.2852 0.6688 0.1886 1.0000 Uiso R . . . . .
H3751 H 0.5606 0.2807 0.7257 0.2011 1.0000 Uiso R . . . . .
H3761 H 0.6036 0.3431 0.7447 0.1868 1.0000 Uiso R . . . . .
H3791 H 0.9736 0.6334 0.8040 0.0879 1.0000 Uiso R . . . . .
H3801 H 0.9841 0.6953 0.8447 0.0866 1.0000 Uiso R . . . . .
H3811 H 0.9293 0.7327 0.8540 0.0642 1.0000 Uiso R . . . . .
H3821 H 0.8682 0.7059 0.8222 0.0541 1.0000 Uiso R . . . . .
H3841 H 0.6414 0.6959 0.7535 0.1081 1.0000 Uiso R . . . . .
H3851 H 0.5778 0.7352 0.7299 0.1083 1.0000 Uiso R . . . . .
H3861 H 0.5518 0.7648 0.6750 0.1316 1.0000 Uiso R . . . . .
H3871 H 0.5791 0.7299 0.6385 0.1354 1.0000 Uiso R . . . . .
H3881 H 0.6429 0.6916 0.6620 0.1203 1.0000 Uiso R . . . . .
H3931 H 0.8391 0.8555 0.7207 0.0675 1.0000 Uiso R . . . . .
H3941 H 0.8881 0.9190 0.7364 0.0705 1.0000 Uiso R . . . . .
H3971 H 0.9656 0.9912 0.7883 0.1180 1.0000 Uiso R . . . . .
H3972 H 0.9206 0.9949 0.7684 0.1180 1.0000 Uiso R . . . . .
H3973 H 0.9460 0.9537 0.7580 0.1180 1.0000 Uiso R . . . . .
H3981 H 0.9150 0.8711 0.8313 0.0892 1.0000 Uiso R . . . . .
H3991 H 0.8657 0.8097 0.8168 0.0648 1.0000 Uiso R . . . . .
H4041 H 0.7028 0.8808 0.7584 0.1486 1.0000 Uiso R . . . . .
H4051 H 0.6468 0.9361 0.7367 0.1424 1.0000 Uiso R . . . . .
H4091 H 0.6260 0.8853 0.6462 0.1671 1.0000 Uiso R . . . . .
H4101 H 0.6687 0.8093 0.6687 0.1584 1.0000 Uiso R . . . . .
H4121 H 0.7755 0.6759 0.9248 0.0905 1.0000 Uiso R . . . . .
H4131 H 0.7687 0.7201 0.9702 0.1266 1.0000 Uiso R . . . . .
H4141 H 0.7602 0.8158 0.9674 0.1475 1.0000 Uiso R . . . . .
H4151 H 0.7489 0.8552 0.9127 0.1370 1.0000 Uiso R . . . . .
H4161 H 0.7469 0.8004 0.8685 0.0747 1.0000 Uiso R . . . . .
H4181 H 0.7881 0.7765 0.6232 0.0694 1.0000 Uiso R . . . . .
H4191 H 0.7893 0.8267 0.5747 0.1242 1.0000 Uiso R . . . . .
H4201 H 0.7626 0.7859 0.5241 0.1714 1.0000 Uiso R . . . . .
H4211 H 0.7453 0.6963 0.5195 0.1511 1.0000 Uiso R . . . . .
H4221 H 0.7502 0.6503 0.5682 0.0803 1.0000 Uiso R . . . . .
H4241 H 0.7680 0.3196 0.5805 0.0532 1.0000 Uiso R . . . . .
H4251 H 0.7683 0.2711 0.5350 0.0607 1.0000 Uiso R . . . . .
H4261 H 0.7431 0.1848 0.5264 0.0954 1.0000 Uiso R . . . . .
H4271 H 0.7212 0.1467 0.5684 0.1023 1.0000 Uiso R . . . . .
H4281 H 0.7235 0.1989 0.6134 0.0643 1.0000 Uiso R . . . . .
H4301 H 0.7225 0.3505 0.9161 0.0701 1.0000 Uiso R . . . . .
H4311 H 0.7136 0.3141 0.9624 0.0962 1.0000 Uiso R . . . . .
H4321 H 0.7278 0.2225 0.9735 0.1134 1.0000 Uiso R . . . . .
H4331 H 0.7374 0.1715 0.9312 0.1086 1.0000 Uiso R . . . . .
H4341 H 0.7420 0.2087 0.8836 0.1062 1.0000 Uiso R . . . . .
H4361 H 0.3941 0.5697 0.5229 0.0783 1.0000 Uiso R . . . . .
H4371 H 0.3796 0.5562 0.4673 0.0765 1.0000 Uiso R . . . . .
H4381 H 0.4200 0.4947 0.4513 0.0825 1.0000 Uiso R . . . . .
H4391 H 0.4706 0.4545 0.4920 0.0780 1.0000 Uiso R . . . . .
H4401 H 0.4840 0.4756 0.5478 0.0770 1.0000 Uiso R . . . . .
H4421 H 0.9749 0.5537 1.0449 0.0914 1.0000 Uiso R . . . . .
H4431 H 0.9754 0.5522 0.9920 0.0631 1.0000 Uiso R . . . . .
H4441 H 0.9277 0.5045 0.9523 0.0715 1.0000 Uiso R . . . . .
H4451 H 0.8776 0.4595 0.9673 0.0818 1.0000 Uiso R . . . . .
H4461 H 0.8797 0.4767 1.0226 0.0961 1.0000 Uiso R . . . . .
H4481 H 0.7686 0.9952 0.7104 0.1536 1.0000 Uiso R . . . . .
H4491 H 0.7381 0.9176 0.6971 0.1647 1.0000 Uiso R . . . . .
H4501 H 0.7544 0.8556 0.6659 0.1714 1.0000 Uiso R . . . . .
H4511 H 0.8029 0.8753 0.6461 0.1516 1.0000 Uiso R . . . . .
H4521 H 0.8354 0.9518 0.6561 0.1499 1.0000 Uiso R . . . . .
H4541 H 0.9937 0.4633 0.6573 0.2144 1.0000 Uiso R . . . . .
H4551 H 0.9322 0.4741 0.6622 0.1995 1.0000 Uiso R . . . . .
H4571 H 0.8820 0.4978 0.5610 0.1962 1.0000 Uiso R . . . . .
H4581 H 0.9424 0.4803 0.5550 0.2083 1.0000 Uiso R . . . . .
H4611 H 1.0023 0.3044 0.5698 0.1374 1.0000 Uiso R . . . . .
H4621 H 1.0258 0.3654 0.6149 0.2661 1.0000 Uiso R . . . . .
H4631 H 1.0050 0.3584 0.6583 0.1826 1.0000 Uiso R . . . . .
H4641 H 0.9599 0.2960 0.6562 0.1603 1.0000 Uiso R . . . . .
H4661 H 0.6711 0.0468 0.6908 0.1917 1.0000 Uiso R . . . . .
H4671 H 0.7154 0.1152 0.7115 0.1676 1.0000 Uiso R . . . . .
H4681 H 0.7488 0.1375 0.6749 0.1555 1.0000 Uiso R . . . . .
H4691 H 0.7400 0.0969 0.6233 0.1607 1.0000 Uiso R . . . . .
H4701 H 0.6941 0.0288 0.6115 0.1888 1.0000 Uiso R . . . . .
H4721 H 0.7801 0.8845 0.7781 0.1364 1.0000 Uiso R . . . . .
H4731 H 0.8233 0.9484 0.7963 0.1710 1.0000 Uiso R . . . . .
H4741 H 0.8289 1.0097 0.8358 0.1945 1.0000 Uiso R . . . . .
H4751 H 0.8044 0.9751 0.8738 0.1412 1.0000 Uiso R . . . . .
H4761 H 0.7567 0.9192 0.8645 0.1632 1.0000 Uiso R . . . . .
H4771 H 0.9374 0.9317 0.9799 0.6662 1.0000 Uiso R . . . . .
H4772 H 0.9215 0.8740 0.9773 0.6662 1.0000 Uiso R . . . . .
H4773 H 0.8926 0.9207 0.9623 0.6662 1.0000 Uiso R . . . . .
H2211 H 0.6662 0.8062 1.0036 0.5309 1.0000 Uiso R . . . . .
H2212 H 0.6989 0.7700 0.9993 0.5309 1.0000 Uiso R . . . . .
H2213 H 0.6619 0.7448 1.0038 0.5309 1.0000 Uiso R . . . . .
H21 H 0.4177 0.7377 0.7462 0.1856 1.0000 Uiso R . . . . .
H22 H 0.4533 0.7402 0.7799 0.1856 1.0000 Uiso R . . . . .
H23 H 0.4587 0.7562 0.7465 0.1856 1.0000 Uiso R . . . . .
H2171 H 0.4395 0.7320 0.5112 0.1211 1.0000 Uiso R . . . . .
H2172 H 0.4482 0.6998 0.5442 0.1211 1.0000 Uiso R . . . . .
H2173 H 0.4477 0.6714 0.5116 0.1211 1.0000 Uiso R . . . . .
H3181 H 0.8646 0.2600 1.0821 0.1028 1.0000 Uiso R . . . . .
H3182 H 0.8748 0.3168 1.0735 0.1028 1.0000 Uiso R . . . . .
H3183 H 0.8316 0.3026 1.0694 0.1028 1.0000 Uiso R . . . . .
H3141 H 0.8022 0.4362 0.9994 0.0823 1.0000 Uiso R . . . . .
H11 H 0.6205 0.3517 1.0247 0.1924 1.0000 Uiso R . . . . .
H12 H 0.5916 0.3761 0.9916 0.1924 1.0000 Uiso R . . . . .
H13 H 0.6129 0.3230 0.9907 0.1924 1.0000 Uiso R . . . . .
H3301 H 0.5113 0.1379 0.8748 0.1826 1.0000 Uiso R . . . . .
H3302 H 0.5330 0.1920 0.8845 0.1826 1.0000 Uiso R . . . . .
H3303 H 0.5081 0.1800 0.8473 0.1826 1.0000 Uiso R . . . . .
H3621 H 0.9280 0.0000 0.8454 0.1652 1.0000 Uiso R . . . . .
H3622 H 0.9288 0.0615 0.8431 0.1652 1.0000 Uiso R . . . . .
H3623 H 0.8999 0.0341 0.8576 0.1652 1.0000 Uiso R . . . . .
H4561 H 0.8874 0.4972 0.6140 0.1956 1.0000 Uiso R . . . . .
H4081 H 0.5790 1.0108 0.6436 0.2463 1.0000 Uiso R . . . . .
H4082 H 0.5719 0.9677 0.6669 0.2463 1.0000 Uiso R . . . . .
H4083 H 0.5727 0.9521 0.6319 0.2463 1.0000 Uiso R . . . . .
H581 H 0.7676 0.6684 0.6344 0.0385 1.0000 Uiso R . . . . .
H181 H 0.7383 0.3265 0.8614 0.0522 1.0000 Uiso R . . . . .
H861 H 0.7472 0.3093 0.6373 0.0380 1.0000 Uiso R . . . . .
H1291 H 0.7567 0.6863 0.8585 0.0381 1.0000 Uiso R . . . . .
H4601 H 0.9593 0.2419 0.5807 0.1497 1.0000 Uiso R . . . . .
H6001 H 0.8711 0.7262 0.4830 0.1644 1.0000 Uiso R . . . . .
H6002 H 0.8801 0.6685 0.4964 0.1644 1.0000 Uiso R . . . . .
H6003 H 0.8368 0.6885 0.4820 0.1644 1.0000 Uiso R . . . . .
H5791 H 0.5211 0.0503 0.6994 0.2821 1.0000 Uiso R . . . . .
H5792 H 0.5612 0.0570 0.7286 0.2821 1.0000 Uiso R . . . . .
H5793 H 0.5361 0.1066 0.7126 0.2821 1.0000 Uiso R . . . . .
H2971 H 0.5172 0.9135 0.8210 0.3621 1.0000 Uiso R . . . . .
H2972 H 0.5342 0.8602 0.8384 0.3621 1.0000 Uiso R . . . . .
H2973 H 0.5192 0.8644 0.7995 0.3621 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Ce -0.2486 2.6331 21.1671 2.8122 19.7695 0.2268 11.8513 17.6083 3.3305 127.1130
1.8626 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ce3 . Ce1 . Ce4 . 60.87(2) yes
Ce3 . Ce1 . O5 . 37.2(3) yes
Ce4 . Ce1 . O5 . 37.1(3) yes
Ce3 . Ce1 . Ce55 . 60.40(2) yes
Ce4 . Ce1 . Ce55 . 91.43(3) yes
O5 . Ce1 . Ce55 . 93.4(3) yes
Ce3 . Ce1 . Ce56 . 91.34(3) yes
Ce4 . Ce1 . Ce56 . 59.94(2) yes
O5 . Ce1 . Ce56 . 93.0(3) yes
Ce55 . Ce1 . Ce56 . 61.98(2) yes
Ce3 . Ce1 . O58 . 95.7(3) yes
Ce4 . Ce1 . O58 . 94.8(3) yes
O5 . Ce1 . O58 . 118.5(4) yes
Ce55 . Ce1 . O58 . 39.4(2) yes
Ce56 . Ce1 . O58 . 38.4(3) yes
Ce3 . Ce1 . O185 . 87.2(3) yes
Ce4 . Ce1 . O185 . 33.3(3) yes
O5 . Ce1 . O185 . 70.4(4) yes
Ce55 . Ce1 . O185 . 87.7(3) yes
Ce56 . Ce1 . O185 . 32.8(3) yes
Ce3 . Ce1 . O188 . 162.4(3) yes
Ce4 . Ce1 . O188 . 106.9(3) yes
O5 . Ce1 . O188 . 138.9(4) yes
Ce55 . Ce1 . O188 . 110.1(3) yes
Ce56 . Ce1 . O188 . 71.1(3) yes
Ce3 . Ce1 . O220 . 34.7(3) yes
Ce4 . Ce1 . O220 . 87.8(2) yes
O5 . Ce1 . O220 . 71.8(4) yes
Ce55 . Ce1 . O220 . 31.8(3) yes
Ce56 . Ce1 . O220 . 86.9(3) yes
Ce3 . Ce1 . O223 . 108.9(3) yes
Ce4 . Ce1 . O223 . 163.2(3) yes
O5 . Ce1 . O223 . 141.2(4) yes
Ce55 . Ce1 . O223 . 71.8(3) yes
Ce56 . Ce1 . O223 . 109.6(3) yes
Ce3 . Ce1 . C390 . 112.8(4) yes
Ce4 . Ce1 . C390 . 83.7(5) yes
O5 . Ce1 . C390 . 79.8(5) yes
Ce55 . Ce1 . C390 . 173.1(4) yes
Ce56 . Ce1 . C390 . 118.9(4) yes
Ce3 . Ce1 . O391 . 125.8(4) yes
Ce4 . Ce1 . O391 . 102.4(6) yes
O5 . Ce1 . O391 . 97.0(6) yes
Ce55 . Ce1 . O391 . 166.2(6) yes
Ce56 . Ce1 . O391 . 126.3(5) yes
Ce3 . Ce1 . O402 . 71.4(7) yes
Ce4 . Ce1 . O402 . 110.5(10) yes
O5 . Ce1 . O402 . 74.4(10) yes
Ce55 . Ce1 . O402 . 106.2(5) yes
Ce56 . Ce1 . O402 . 162.7(6) yes
O58 . Ce1 . O185 . 71.2(4) yes
O58 . Ce1 . O188 . 71.7(4) yes
O185 . Ce1 . O188 . 77.2(4) yes
O58 . Ce1 . O220 . 71.2(4) yes
O185 . Ce1 . O220 . 101.6(4) yes
O188 . Ce1 . O220 . 141.0(4) yes
O58 . Ce1 . O223 . 72.1(4) yes
O185 . Ce1 . O223 . 141.1(4) yes
O188 . Ce1 . O223 . 79.5(4) yes
O220 . Ce1 . O223 . 78.2(4) yes
O58 . Ce1 . C390 . 145.7(4) yes
O185 . Ce1 . C390 . 90.9(5) yes
O188 . Ce1 . C390 . 76.0(5) yes
O220 . Ce1 . C390 . 142.6(4) yes
O223 . Ce1 . C390 . 113.1(6) yes
O58 . Ce1 . O391 . 138.4(5) yes
O185 . Ce1 . O391 . 104.4(6) yes
O188 . Ce1 . O391 . 67.1(5) yes
O220 . Ce1 . O391 . 146.1(5) yes
O223 . Ce1 . O391 . 94.4(7) yes
O58 . Ce1 . O402 . 139.1(8) yes
O185 . Ce1 . O402 . 142.8(10) yes
O188 . Ce1 . O402 . 126.2(7) yes
O220 . Ce1 . O402 . 78.0(5) yes
O223 . Ce1 . O402 . 75.8(11) yes
C390 . Ce1 . O391 . 19.0(7) yes
C390 . Ce1 . O402 . 71.2(6) yes
O391 . Ce1 . O402 . 68.1(6) yes
Ce3 . Ce2 . Ce4 . 60.74(2) yes
Ce3 . Ce2 . O5 . 37.6(3) yes
Ce4 . Ce2 . O5 . 37.0(3) yes
Ce3 . Ce2 . Ce22 . 60.69(2) yes
Ce4 . Ce2 . Ce22 . 90.95(3) yes
O5 . Ce2 . Ce22 . 94.0(3) yes
Ce3 . Ce2 . Ce114 . 91.47(3) yes
Ce4 . Ce2 . Ce114 . 59.74(2) yes
O5 . Ce2 . Ce114 . 93.1(3) yes
Ce22 . Ce2 . Ce114 . 61.61(2) yes
Ce3 . Ce2 . O129 . 95.3(3) yes
Ce4 . Ce2 . O129 . 94.7(3) yes
O5 . Ce2 . O129 . 118.6(4) yes
Ce22 . Ce2 . O129 . 38.3(2) yes
Ce114 . Ce2 . O129 . 38.9(2) yes
Ce3 . Ce2 . O141 . 87.2(3) yes
Ce4 . Ce2 . O141 . 34.2(2) yes
O5 . Ce2 . O141 . 71.1(4) yes
Ce22 . Ce2 . O141 . 86.0(3) yes
Ce114 . Ce2 . O141 . 31.3(3) yes
Ce3 . Ce2 . O144 . 164.1(3) yes
Ce4 . Ce2 . O144 . 109.5(4) yes
O5 . Ce2 . O144 . 140.8(4) yes
Ce22 . Ce2 . O144 . 109.4(3) yes
Ce114 . Ce2 . O144 . 72.7(3) yes
Ce3 . Ce2 . O288 . 34.4(3) yes
Ce4 . Ce2 . O288 . 87.5(3) yes
O5 . Ce2 . O288 . 72.0(4) yes
Ce22 . Ce2 . O288 . 32.7(3) yes
Ce114 . Ce2 . O288 . 87.5(3) yes
Ce3 . Ce2 . O291 . 107.8(3) yes
Ce4 . Ce2 . O291 . 162.6(3) yes
O5 . Ce2 . O291 . 140.2(4) yes
Ce22 . Ce2 . O291 . 71.7(3) yes
Ce114 . Ce2 . O291 . 110.4(3) yes
Ce3 . Ce2 . O389 . 113.1(8) yes
Ce4 . Ce2 . O389 . 74.6(6) yes
O5 . Ce2 . O389 . 76.7(8) yes
Ce22 . Ce2 . O389 . 165.2(5) yes
Ce114 . Ce2 . O389 . 106.9(4) yes
Ce3 . Ce2 . O400 . 100.6(8) yes
Ce4 . Ce2 . O400 . 127.2(4) yes
O5 . Ce2 . O400 . 96.9(6) yes
Ce22 . Ce2 . O400 . 124.2(6) yes
Ce114 . Ce2 . O400 . 167.9(7) yes
O129 . Ce2 . O141 . 70.2(4) yes
O129 . Ce2 . O144 . 72.2(4) yes
O141 . Ce2 . O144 . 79.4(4) yes
O129 . Ce2 . O288 . 71.0(4) yes
O141 . Ce2 . O288 . 101.1(4) yes
O144 . Ce2 . O288 . 140.5(4) yes
O129 . Ce2 . O291 . 72.4(4) yes
O141 . Ce2 . O291 . 140.7(4) yes
O144 . Ce2 . O291 . 78.3(5) yes
O288 . Ce2 . O291 . 77.3(4) yes
O129 . Ce2 . O389 . 137.7(6) yes
O141 . Ce2 . O389 . 80.1(5) yes
O144 . Ce2 . O389 . 73.2(9) yes
O288 . Ce2 . O389 . 146.2(8) yes
O291 . Ce2 . O389 . 122.8(7) yes
O129 . Ce2 . O400 . 137.7(5) yes
O141 . Ce2 . O400 . 148.8(6) yes
O144 . Ce2 . O400 . 95.2(8) yes
O288 . Ce2 . O400 . 102.2(8) yes
O291 . Ce2 . O400 . 65.5(5) yes
O389 . Ce2 . O400 . 69.0(7) yes
Ce1 . Ce3 . Ce2 . 65.01(3) yes
Ce1 . Ce3 . O5 . 35.5(3) yes
Ce2 . Ce3 . O5 . 36.7(3) yes
Ce1 . Ce3 . Ce6 . 88.29(3) yes
Ce2 . Ce3 . Ce6 . 120.30(3) yes
O5 . Ce3 . Ce6 . 91.6(3) yes
Ce1 . Ce3 . Ce7 . 119.53(3) yes
Ce2 . Ce3 . Ce7 . 88.48(3) yes
O5 . Ce3 . Ce7 . 91.9(3) yes
Ce6 . Ce3 . Ce7 . 58.72(2) yes
Ce1 . Ce3 . O8 . 88.7(2) yes
Ce2 . Ce3 . O8 . 89.2(2) yes
O5 . Ce3 . O8 . 72.1(4) yes
Ce6 . Ce3 . O8 . 35.1(2) yes
Ce7 . Ce3 . O8 . 34.8(2) yes
Ce1 . Ce3 . Ce23 . 175.57(3) yes
Ce2 . Ce3 . Ce23 . 118.69(3) yes
O5 . Ce3 . Ce23 . 146.4(3) yes
Ce6 . Ce3 . Ce23 . 87.62(3) yes
Ce7 . Ce3 . Ce23 . 59.38(2) yes
Ce1 . Ce3 . O24 . 146.6(2) yes
Ce2 . Ce3 . O24 . 89.1(2) yes
O5 . Ce3 . O24 . 111.6(4) yes
Ce6 . Ce3 . O24 . 87.3(2) yes
Ce7 . Ce3 . O24 . 34.4(2) yes
Ce1 . Ce3 . Ce48 . 119.79(3) yes
Ce2 . Ce3 . Ce48 . 174.89(3) yes
O5 . Ce3 . Ce48 . 146.5(3) yes
Ce6 . Ce3 . Ce48 . 59.69(2) yes
Ce7 . Ce3 . Ce48 . 87.41(3) yes
Ce1 . Ce3 . O50 . 144.7(2) yes
Ce2 . Ce3 . O50 . 143.4(2) yes
O5 . Ce3 . O50 . 179.6(4) yes
Ce6 . Ce3 . O50 . 88.0(2) yes
Ce7 . Ce3 . O50 . 87.7(3) yes
Ce1 . Ce3 . O208 . 89.4(2) yes
Ce2 . Ce3 . O208 . 147.3(2) yes
O5 . Ce3 . O208 . 111.1(4) yes
Ce6 . Ce3 . O208 . 34.2(2) yes
Ce7 . Ce3 . O208 . 87.1(3) yes
Ce1 . Ce3 . O220 . 33.0(3) yes
Ce2 . Ce3 . O220 . 95.2(3) yes
O5 . Ce3 . O220 . 68.4(4) yes
Ce6 . Ce3 . O220 . 83.4(2) yes
Ce7 . Ce3 . O220 . 137.3(2) yes
Ce1 . Ce3 . O288 . 94.4(2) yes
Ce2 . Ce3 . O288 . 32.0(3) yes
O5 . Ce3 . O288 . 68.7(4) yes
Ce6 . Ce3 . O288 . 137.8(3) yes
Ce7 . Ce3 . O288 . 84.1(2) yes
Ce1 . Ce3 . N383 . 88.8(3) yes
Ce2 . Ce3 . N383 . 88.3(4) yes
O5 . Ce3 . N383 . 105.0(4) yes
Ce6 . Ce3 . N383 . 146.3(4) yes
Ce7 . Ce3 . N383 . 146.6(4) yes
O8 . Ce3 . Ce23 . 88.9(2) yes
O8 . Ce3 . O24 . 69.2(3) yes
Ce23 . Ce3 . O24 . 34.8(2) yes
O8 . Ce3 . Ce48 . 89.2(2) yes
Ce23 . Ce3 . Ce48 . 56.44(2) yes
O24 . Ce3 . Ce48 . 85.8(2) yes
O8 . Ce3 . O50 . 107.5(4) yes
Ce23 . Ce3 . O50 . 33.4(2) yes
O24 . Ce3 . O50 . 68.1(3) yes
Ce48 . Ce3 . O50 . 33.3(2) yes
O8 . Ce3 . O208 . 69.4(3) yes
Ce23 . Ce3 . O208 . 86.3(2) yes
O24 . Ce3 . O208 . 104.8(4) yes
Ce48 . Ce3 . O208 . 35.4(2) yes
O50 . Ce3 . O208 . 68.7(3) yes
O8 . Ce3 . O220 . 102.6(3) yes
Ce23 . Ce3 . O220 . 144.5(3) yes
O24 . Ce3 . O220 . 170.7(3) yes
Ce48 . Ce3 . O220 . 89.9(3) yes
O50 . Ce3 . O220 . 111.8(4) yes
O8 . Ce3 . O288 . 102.7(3) yes
Ce23 . Ce3 . O288 . 89.8(2) yes
O24 . Ce3 . O288 . 67.9(4) yes
Ce48 . Ce3 . O288 . 144.2(3) yes
O50 . Ce3 . O288 . 111.4(4) yes
O8 . Ce3 . N383 . 177.0(4) yes
Ce23 . Ce3 . N383 . 93.7(3) yes
O24 . Ce3 . N383 . 112.3(4) yes
Ce48 . Ce3 . N383 . 93.4(4) yes
O50 . Ce3 . N383 . 75.5(4) yes
O208 . Ce3 . O220 . 67.4(4) yes
O208 . Ce3 . O288 . 171.2(3) yes
O220 . Ce3 . O288 . 119.3(4) yes
O208 . Ce3 . N383 . 112.2(5) yes
O220 . Ce3 . N383 . 76.1(4) yes
O288 . Ce3 . N383 . 75.9(5) yes
Ce2 . Ce4 . Ce1 . 64.48(3) yes
Ce2 . Ce4 . O5 . 36.0(2) yes
Ce1 . Ce4 . O5 . 35.3(3) yes
Ce2 . Ce4 . Ce6 . 119.22(3) yes
Ce1 . Ce4 . Ce6 . 88.06(3) yes
O5 . Ce4 . Ce6 . 91.5(3) yes
Ce2 . Ce4 . Ce7 . 88.25(3) yes
Ce1 . Ce4 . Ce7 . 119.78(3) yes
O5 . Ce4 . Ce7 . 92.3(3) yes
Ce6 . Ce4 . Ce7 . 58.91(2) yes
Ce2 . Ce4 . O8 . 88.3(2) yes
Ce1 . Ce4 . O8 . 88.5(2) yes
O5 . Ce4 . O8 . 72.1(4) yes
Ce6 . Ce4 . O8 . 35.0(2) yes
Ce7 . Ce4 . O8 . 35.2(2) yes
Ce2 . Ce4 . Ce60 . 175.30(3) yes
Ce1 . Ce4 . Ce60 . 119.11(3) yes
O5 . Ce4 . Ce60 . 145.6(2) yes
Ce6 . Ce4 . Ce60 . 59.18(2) yes
Ce7 . Ce4 . Ce60 . 87.24(3) yes
Ce2 . Ce4 . O99 . 146.5(3) yes
Ce1 . Ce4 . O99 . 89.3(3) yes
O5 . Ce4 . O99 . 111.1(4) yes
Ce6 . Ce4 . O99 . 34.6(2) yes
Ce7 . Ce4 . O99 . 87.4(2) yes
Ce2 . Ce4 . Ce111 . 119.93(3) yes
Ce1 . Ce4 . Ce111 . 174.93(3) yes
O5 . Ce4 . Ce111 . 147.2(3) yes
Ce6 . Ce4 . Ce111 . 87.44(3) yes
Ce7 . Ce4 . Ce111 . 59.42(2) yes
Ce2 . Ce4 . O113 . 145.4(3) yes
Ce1 . Ce4 . O113 . 144.9(3) yes
O5 . Ce4 . O113 . 178.0(4) yes
Ce6 . Ce4 . O113 . 86.5(3) yes
Ce7 . Ce4 . O113 . 86.3(3) yes
Ce2 . Ce4 . O116 . 89.6(3) yes
Ce1 . Ce4 . O116 . 146.8(3) yes
O5 . Ce4 . O116 . 112.1(4) yes
Ce6 . Ce4 . O116 . 87.3(3) yes
Ce7 . Ce4 . O116 . 34.2(2) yes
Ce2 . Ce4 . O141 . 32.5(2) yes
Ce1 . Ce4 . O141 . 94.4(2) yes
O5 . Ce4 . O141 . 68.4(3) yes
Ce6 . Ce4 . O141 . 136.9(3) yes
Ce7 . Ce4 . O141 . 83.4(3) yes
Ce2 . Ce4 . O185 . 94.3(3) yes
Ce1 . Ce4 . O185 . 32.7(2) yes
O5 . Ce4 . O185 . 67.9(4) yes
Ce6 . Ce4 . O185 . 84.1(3) yes
Ce7 . Ce4 . O185 . 138.1(3) yes
Ce2 . Ce4 . N377 . 89.7(3) yes
Ce1 . Ce4 . N377 . 96.28(19) yes
O5 . Ce4 . N377 . 109.5(4) yes
Ce6 . Ce4 . N377 . 149.2(3) yes
Ce7 . Ce4 . N377 . 138.44(19) yes
O8 . Ce4 . Ce60 . 88.8(2) yes
O8 . Ce4 . O99 . 69.6(3) yes
Ce60 . Ce4 . O99 . 34.5(3) yes
O8 . Ce4 . Ce111 . 89.1(2) yes
Ce60 . Ce4 . Ce111 . 56.33(2) yes
O99 . Ce4 . Ce111 . 85.6(3) yes
O8 . Ce4 . O113 . 106.0(4) yes
Ce60 . Ce4 . O113 . 32.9(3) yes
O99 . Ce4 . O113 . 67.3(4) yes
Ce111 . Ce4 . O113 . 32.4(3) yes
O8 . Ce4 . O116 . 69.4(3) yes
Ce60 . Ce4 . O116 . 85.9(3) yes
O99 . Ce4 . O116 . 104.8(4) yes
Ce111 . Ce4 . O116 . 35.1(3) yes
O113 . Ce4 . O116 . 67.5(4) yes
O8 . Ce4 . O141 . 102.0(3) yes
Ce60 . Ce4 . O141 . 145.3(2) yes
O99 . Ce4 . O141 . 170.7(4) yes
Ce111 . Ce4 . O141 . 90.5(2) yes
O113 . Ce4 . O141 . 112.9(4) yes
O8 . Ce4 . O185 . 102.9(3) yes
Ce60 . Ce4 . O185 . 89.9(3) yes
O99 . Ce4 . O185 . 68.0(4) yes
Ce111 . Ce4 . O185 . 144.2(2) yes
O113 . Ce4 . O185 . 112.2(4) yes
O8 . Ce4 . N377 . 173.4(3) yes
Ce60 . Ce4 . N377 . 92.8(3) yes
O99 . Ce4 . N377 . 114.8(4) yes
Ce111 . Ce4 . N377 . 86.4(2) yes
O113 . Ce4 . N377 . 72.5(4) yes
O116 . Ce4 . O141 . 67.8(4) yes
O116 . Ce4 . O185 . 171.4(4) yes
O141 . Ce4 . O185 . 118.8(4) yes
O116 . Ce4 . N377 . 104.3(3) yes
O141 . Ce4 . N377 . 73.3(4) yes
O185 . Ce4 . N377 . 83.5(3) yes
Ce4 . O5 . Ce3 . 106.3(5) yes
Ce4 . O5 . Ce2 . 107.0(4) yes
Ce3 . O5 . Ce2 . 105.7(4) yes
Ce4 . O5 . Ce1 . 107.6(4) yes
Ce3 . O5 . Ce1 . 107.3(4) yes
Ce2 . O5 . Ce1 . 121.9(5) yes
Ce4 . Ce6 . Ce3 . 59.52(2) yes
Ce4 . Ce6 . O8 . 34.7(2) yes
Ce3 . Ce6 . O8 . 34.9(2) yes
Ce4 . Ce6 . Ce9 . 120.93(3) yes
Ce3 . Ce6 . Ce9 . 91.33(2) yes
O8 . Ce6 . Ce9 . 91.7(2) yes
Ce4 . Ce6 . Ce10 . 91.56(3) yes
Ce3 . Ce6 . Ce10 . 121.44(3) yes
O8 . Ce6 . Ce10 . 92.0(2) yes
Ce9 . Ce6 . Ce10 . 59.50(2) yes
Ce4 . Ce6 . O11 . 92.0(2) yes
Ce3 . Ce6 . O11 . 92.1(2) yes
O8 . Ce6 . O11 . 73.5(3) yes
Ce9 . Ce6 . O11 . 34.5(2) yes
Ce10 . Ce6 . O11 . 34.8(2) yes
Ce4 . Ce6 . Ce51 . 178.02(3) yes
Ce3 . Ce6 . Ce51 . 118.93(3) yes
O8 . Ce6 . Ce51 . 144.7(2) yes
Ce9 . Ce6 . Ce51 . 59.76(2) yes
Ce10 . Ce6 . Ce51 . 90.35(3) yes
Ce4 . Ce6 . O52 . 144.2(2) yes
Ce3 . Ce6 . O52 . 89.6(2) yes
O8 . Ce6 . O52 . 109.6(3) yes
Ce9 . Ce6 . O52 . 35.4(2) yes
Ce10 . Ce6 . O52 . 90.1(2) yes
Ce4 . Ce6 . Ce55 . 90.41(3) yes
Ce3 . Ce6 . Ce55 . 59.69(2) yes
O8 . Ce6 . Ce55 . 89.6(2) yes
Ce9 . Ce6 . Ce55 . 119.32(3) yes
Ce10 . Ce6 . Ce55 . 178.03(3) yes
Ce4 . Ce6 . Ce56 . 59.43(2) yes
Ce3 . Ce6 . Ce56 . 90.28(3) yes
O8 . Ce6 . Ce56 . 89.2(2) yes
Ce9 . Ce6 . Ce56 . 178.24(3) yes
Ce10 . Ce6 . Ce56 . 118.97(3) yes
Ce4 . Ce6 . O57 . 87.8(2) yes
Ce3 . Ce6 . O57 . 87.8(3) yes
O8 . Ce6 . O57 . 106.4(3) yes
Ce9 . Ce6 . O57 . 145.6(2) yes
Ce10 . Ce6 . O57 . 145.2(2) yes
Ce4 . Ce6 . Ce61 . 119.52(3) yes
Ce3 . Ce6 . Ce61 . 178.44(3) yes
O8 . Ce6 . Ce61 . 144.9(2) yes
Ce9 . Ce6 . Ce61 . 90.23(3) yes
Ce10 . Ce6 . Ce61 . 59.43(2) yes
Ce4 . Ce6 . O62 . 90.2(2) yes
Ce3 . Ce6 . O62 . 144.6(2) yes
O8 . Ce6 . O62 . 109.6(3) yes
Ce9 . Ce6 . O62 . 89.3(2) yes
Ce10 . Ce6 . O62 . 34.5(2) yes
Ce4 . Ce6 . O74 . 145.8(2) yes
Ce3 . Ce6 . O74 . 145.3(2) yes
O8 . Ce6 . O74 . 179.3(3) yes
Ce9 . Ce6 . O74 . 87.6(2) yes
Ce10 . Ce6 . O74 . 87.4(2) yes
Ce4 . Ce6 . O99 . 35.2(3) yes
Ce3 . Ce6 . O99 . 90.2(3) yes
O8 . Ce6 . O99 . 69.9(3) yes
Ce9 . Ce6 . O99 . 143.9(3) yes
Ce10 . Ce6 . O99 . 89.4(3) yes
Ce4 . Ce6 . O208 . 89.9(3) yes
Ce3 . Ce6 . O208 . 34.9(2) yes
O8 . Ce6 . O208 . 69.9(3) yes
Ce9 . Ce6 . O208 . 89.5(3) yes
Ce10 . Ce6 . O208 . 144.2(2) yes
O11 . Ce6 . Ce51 . 89.2(2) yes
O11 . Ce6 . O52 . 70.0(3) yes
Ce51 . Ce6 . O52 . 35.2(2) yes
O11 . Ce6 . Ce55 . 145.0(2) yes
Ce51 . Ce6 . Ce55 . 87.69(3) yes
O52 . Ce6 . Ce55 . 88.3(2) yes
O11 . Ce6 . Ce56 . 144.7(2) yes
Ce51 . Ce6 . Ce56 . 119.95(3) yes
O52 . Ce6 . Ce56 . 145.3(2) yes
Ce55 . Ce6 . Ce56 . 62.18(2) yes
O11 . Ce6 . O57 . 179.9(3) yes
Ce51 . Ce6 . O57 . 90.9(2) yes
O52 . Ce6 . O57 . 110.1(3) yes
Ce55 . Ce6 . O57 . 34.9(2) yes
Ce56 . Ce6 . O57 . 35.2(2) yes
O11 . Ce6 . Ce61 . 89.1(2) yes
Ce51 . Ce6 . Ce61 . 62.01(2) yes
O52 . Ce6 . Ce61 . 91.7(2) yes
Ce55 . Ce6 . Ce61 . 119.49(3) yes
Ce56 . Ce6 . Ce61 . 88.16(3) yes
O11 . Ce6 . O62 . 69.3(3) yes
Ce51 . Ce6 . O62 . 91.6(2) yes
O52 . Ce6 . O62 . 110.3(3) yes
Ce55 . Ce6 . O62 . 145.5(2) yes
Ce56 . Ce6 . O62 . 89.0(2) yes
O11 . Ce6 . O74 . 105.9(3) yes
Ce51 . Ce6 . O74 . 34.9(2) yes
O52 . Ce6 . O74 . 70.0(3) yes
Ce55 . Ce6 . O74 . 90.9(2) yes
Ce56 . Ce6 . O74 . 91.5(2) yes
O11 . Ce6 . O99 . 109.4(3) yes
Ce51 . Ce6 . O99 . 145.3(3) yes
O52 . Ce6 . O99 . 179.3(3) yes
Ce55 . Ce6 . O99 . 92.2(3) yes
Ce56 . Ce6 . O99 . 35.3(3) yes
O11 . Ce6 . O208 . 109.3(3) yes
Ce51 . Ce6 . O208 . 88.2(2) yes
O52 . Ce6 . O208 . 68.9(4) yes
Ce55 . Ce6 . O208 . 35.8(2) yes
Ce56 . Ce6 . O208 . 92.2(3) yes
O57 . Ce6 . Ce61 . 91.0(3) yes
O57 . Ce6 . O62 . 110.7(3) yes
Ce61 . Ce6 . O62 . 35.4(2) yes
O57 . Ce6 . O74 . 74.3(3) yes
Ce61 . Ce6 . O74 . 34.9(2) yes
O62 . Ce6 . O74 . 70.2(3) yes
O57 . Ce6 . O99 . 70.5(3) yes
Ce61 . Ce6 . O99 . 88.5(3) yes
O62 . Ce6 . O99 . 69.6(4) yes
O74 . Ce6 . O99 . 110.5(3) yes
O57 . Ce6 . O208 . 70.6(3) yes
Ce61 . Ce6 . O208 . 145.2(2) yes
O62 . Ce6 . O208 . 178.7(3) yes
O74 . Ce6 . O208 . 110.3(3) yes
O99 . Ce6 . O208 . 111.2(4) yes
Ce3 . Ce7 . Ce4 . 59.57(2) yes
Ce3 . Ce7 . O8 . 34.7(2) yes
Ce4 . Ce7 . O8 . 35.0(2) yes
Ce3 . Ce7 . Ce9 . 91.17(3) yes
Ce4 . Ce7 . Ce9 . 121.33(3) yes
O8 . Ce7 . Ce9 . 91.8(2) yes
Ce3 . Ce7 . Ce10 . 120.96(3) yes
Ce4 . Ce7 . Ce10 . 91.67(2) yes
O8 . Ce7 . Ce10 . 91.9(2) yes
Ce9 . Ce7 . Ce10 . 59.43(2) yes
Ce3 . Ce7 . O11 . 91.9(2) yes
Ce4 . Ce7 . O11 . 92.5(3) yes
O8 . Ce7 . O11 . 73.6(4) yes
Ce9 . Ce7 . O11 . 34.5(2) yes
Ce10 . Ce7 . O11 . 34.6(2) yes
Ce3 . Ce7 . Ce15 . 178.58(3) yes
Ce4 . Ce7 . Ce15 . 119.56(3) yes
O8 . Ce7 . Ce15 . 145.2(2) yes
Ce9 . Ce7 . Ce15 . 90.24(3) yes
Ce10 . Ce7 . Ce15 . 59.83(2) yes
Ce3 . Ce7 . Ce17 . 118.94(3) yes
Ce4 . Ce7 . Ce17 . 178.02(3) yes
O8 . Ce7 . Ce17 . 144.5(2) yes
Ce9 . Ce7 . Ce17 . 59.44(2) yes
Ce10 . Ce7 . Ce17 . 90.26(3) yes
Ce3 . Ce7 . O20 . 145.3(3) yes
Ce4 . Ce7 . O20 . 146.1(3) yes
O8 . Ce7 . O20 . 178.8(4) yes
Ce9 . Ce7 . O20 . 87.0(3) yes
Ce10 . Ce7 . O20 . 87.5(3) yes
Ce3 . Ce7 . Ce22 . 59.94(2) yes
Ce4 . Ce7 . Ce22 . 90.64(3) yes
O8 . Ce7 . Ce22 . 89.7(2) yes
Ce9 . Ce7 . Ce22 . 118.76(3) yes
Ce10 . Ce7 . Ce22 . 177.62(3) yes
Ce3 . Ce7 . O24 . 35.1(2) yes
Ce4 . Ce7 . O24 . 90.0(3) yes
O8 . Ce7 . O24 . 69.8(3) yes
Ce9 . Ce7 . O24 . 89.4(3) yes
Ce10 . Ce7 . O24 . 143.9(3) yes
Ce3 . Ce7 . O36 . 89.4(2) yes
Ce4 . Ce7 . O36 . 144.3(2) yes
O8 . Ce7 . O36 . 109.3(3) yes
Ce9 . Ce7 . O36 . 35.2(2) yes
Ce10 . Ce7 . O36 . 90.0(2) yes
Ce3 . Ce7 . Ce114 . 90.04(3) yes
Ce4 . Ce7 . Ce114 . 59.49(2) yes
O8 . Ce7 . Ce114 . 89.3(2) yes
Ce9 . Ce7 . Ce114 . 178.78(3) yes
Ce10 . Ce7 . Ce114 . 119.96(3) yes
Ce3 . Ce7 . O116 . 90.0(3) yes
Ce4 . Ce7 . O116 . 35.1(3) yes
O8 . Ce7 . O116 . 70.0(3) yes
Ce9 . Ce7 . O116 . 144.5(3) yes
Ce10 . Ce7 . O116 . 90.0(3) yes
Ce3 . Ce7 . O128 . 88.0(2) yes
Ce4 . Ce7 . O128 . 88.1(2) yes
O8 . Ce7 . O128 . 106.7(3) yes
Ce9 . Ce7 . O128 . 144.8(2) yes
Ce10 . Ce7 . O128 . 145.8(2) yes
Ce3 . Ce7 . O152 . 144.5(2) yes
Ce4 . Ce7 . O152 . 90.1(3) yes
O8 . Ce7 . O152 . 109.8(3) yes
Ce9 . Ce7 . O152 . 89.7(3) yes
Ce10 . Ce7 . O152 . 35.1(2) yes
O11 . Ce7 . Ce15 . 89.2(2) yes
O11 . Ce7 . Ce17 . 88.9(3) yes
Ce15 . Ce7 . Ce17 . 61.91(2) yes
O11 . Ce7 . O20 . 105.4(4) yes
Ce15 . Ce7 . O20 . 34.9(3) yes
Ce17 . Ce7 . O20 . 34.5(3) yes
O11 . Ce7 . Ce22 . 144.7(2) yes
Ce15 . Ce7 . Ce22 . 119.32(3) yes
Ce17 . Ce7 . Ce22 . 87.42(3) yes
O20 . Ce7 . Ce22 . 90.9(3) yes
O11 . Ce7 . O24 . 109.3(3) yes
Ce15 . Ce7 . O24 . 145.0(2) yes
Ce17 . Ce7 . O24 . 88.2(2) yes
O20 . Ce7 . O24 . 110.2(4) yes
Ce22 . Ce7 . O24 . 35.5(2) yes
O11 . Ce7 . O36 . 69.7(3) yes
Ce15 . Ce7 . O36 . 91.8(2) yes
Ce17 . Ce7 . O36 . 35.3(2) yes
O20 . Ce7 . O36 . 69.6(4) yes
Ce22 . Ce7 . O36 . 87.8(2) yes
O11 . Ce7 . Ce114 . 145.6(2) yes
Ce15 . Ce7 . Ce114 . 88.55(3) yes
Ce17 . Ce7 . Ce114 . 119.78(3) yes
O20 . Ce7 . Ce114 . 91.9(3) yes
Ce22 . Ce7 . Ce114 . 61.82(2) yes
O11 . Ce7 . O116 . 110.0(4) yes
Ce15 . Ce7 . O116 . 88.8(3) yes
Ce17 . Ce7 . O116 . 145.4(3) yes
O20 . Ce7 . O116 . 111.0(4) yes
Ce22 . Ce7 . O116 . 92.2(3) yes
O11 . Ce7 . O128 . 179.3(3) yes
Ce15 . Ce7 . O128 . 90.9(2) yes
Ce17 . Ce7 . O128 . 90.6(2) yes
O20 . Ce7 . O128 . 74.4(4) yes
Ce22 . Ce7 . O128 . 34.9(2) yes
O11 . Ce7 . O152 . 69.7(3) yes
Ce15 . Ce7 . O152 . 35.5(2) yes
Ce17 . Ce7 . O152 . 91.7(3) yes
O20 . Ce7 . O152 . 70.2(4) yes
Ce22 . Ce7 . O152 . 145.5(2) yes
O24 . Ce7 . O36 . 68.8(4) yes
O24 . Ce7 . Ce114 . 91.5(3) yes
O36 . Ce7 . Ce114 . 144.7(2) yes
O24 . Ce7 . O116 . 110.9(4) yes
O36 . Ce7 . O116 . 179.3(3) yes
Ce114 . Ce7 . O116 . 35.6(3) yes
O24 . Ce7 . O128 . 70.3(3) yes
O36 . Ce7 . O128 . 109.6(3) yes
Ce114 . Ce7 . O128 . 35.1(2) yes
O116 . Ce7 . O128 . 70.7(3) yes
O24 . Ce7 . O152 . 179.0(3) yes
O36 . Ce7 . O152 . 110.7(4) yes
Ce114 . Ce7 . O152 . 89.4(3) yes
O116 . Ce7 . O152 . 69.7(4) yes
O128 . Ce7 . O152 . 110.7(3) yes
Ce6 . O8 . Ce7 . 106.8(4) yes
Ce6 . O8 . Ce3 . 109.9(3) yes
Ce7 . O8 . Ce3 . 110.5(4) yes
Ce6 . O8 . Ce4 . 110.3(4) yes
Ce7 . O8 . Ce4 . 109.8(3) yes
Ce3 . O8 . Ce4 . 109.5(4) yes
Ce7 . Ce9 . Ce6 . 58.84(2) yes
Ce7 . Ce9 . O11 . 35.1(2) yes
Ce6 . Ce9 . O11 . 35.2(2) yes
Ce7 . Ce9 . Ce12 . 120.18(3) yes
Ce6 . Ce9 . Ce12 . 88.50(3) yes
O11 . Ce9 . Ce12 . 88.9(2) yes
Ce7 . Ce9 . Ce13 . 88.36(3) yes
Ce6 . Ce9 . Ce13 . 119.57(3) yes
O11 . Ce9 . Ce13 . 88.4(3) yes
Ce12 . Ce9 . Ce13 . 64.67(3) yes
Ce7 . Ce9 . O14 . 91.6(3) yes
Ce6 . Ce9 . O14 . 91.2(3) yes
O11 . Ce9 . O14 . 71.4(4) yes
Ce12 . Ce9 . O14 . 36.2(3) yes
Ce13 . Ce9 . O14 . 36.1(3) yes
Ce7 . Ce9 . Ce23 . 59.44(2) yes
Ce6 . Ce9 . Ce23 . 87.58(3) yes
O11 . Ce9 . Ce23 . 89.3(2) yes
Ce12 . Ce9 . Ce23 . 175.40(3) yes
Ce13 . Ce9 . Ce23 . 119.51(3) yes
Ce7 . Ce9 . O36 . 34.5(2) yes
Ce6 . Ce9 . O36 . 87.4(2) yes
O11 . Ce9 . O36 . 69.6(3) yes
Ce12 . Ce9 . O36 . 147.3(2) yes
Ce13 . Ce9 . O36 . 89.5(2) yes
Ce7 . Ce9 . Ce48 . 87.50(3) yes
Ce6 . Ce9 . Ce48 . 59.66(2) yes
O11 . Ce9 . Ce48 . 89.4(3) yes
Ce12 . Ce9 . Ce48 . 119.39(3) yes
Ce13 . Ce9 . Ce48 . 175.36(3) yes
Ce7 . Ce9 . O49 . 86.7(3) yes
Ce6 . Ce9 . O49 . 87.4(3) yes
O11 . Ce9 . O49 . 106.9(4) yes
Ce12 . Ce9 . O49 . 144.9(3) yes
Ce13 . Ce9 . O49 . 144.2(3) yes
Ce7 . Ce9 . O52 . 87.8(2) yes
Ce6 . Ce9 . O52 . 34.8(2) yes
O11 . Ce9 . O52 . 70.0(3) yes
Ce12 . Ce9 . O52 . 89.0(2) yes
Ce13 . Ce9 . O52 . 146.6(2) yes
Ce7 . Ce9 . O254 . 138.0(3) yes
Ce6 . Ce9 . O254 . 84.1(3) yes
O11 . Ce9 . O254 . 103.0(4) yes
Ce12 . Ce9 . O254 . 32.4(3) yes
Ce13 . Ce9 . O254 . 94.4(3) yes
Ce7 . Ce9 . O321 . 83.8(3) yes
Ce6 . Ce9 . O321 . 137.4(3) yes
O11 . Ce9 . O321 . 102.3(4) yes
Ce12 . Ce9 . O321 . 94.4(3) yes
Ce13 . Ce9 . O321 . 32.5(3) yes
Ce7 . Ce9 . N371 . 148.4(4) yes
Ce6 . Ce9 . N371 . 144.5(4) yes
O11 . Ce9 . N371 . 176.0(4) yes
Ce12 . Ce9 . N371 . 87.0(3) yes
Ce13 . Ce9 . N371 . 89.9(3) yes
O14 . Ce9 . Ce23 . 146.4(3) yes
O14 . Ce9 . O36 . 111.5(4) yes
Ce23 . Ce9 . O36 . 34.9(2) yes
O14 . Ce9 . Ce48 . 146.2(3) yes
Ce23 . Ce9 . Ce48 . 56.35(2) yes
O36 . Ce9 . Ce48 . 85.9(2) yes
O14 . Ce9 . O49 . 178.2(4) yes
Ce23 . Ce9 . O49 . 32.4(3) yes
O36 . Ce9 . O49 . 67.2(4) yes
Ce48 . Ce9 . O49 . 33.3(3) yes
O14 . Ce9 . O52 . 111.0(4) yes
Ce23 . Ce9 . O52 . 86.4(2) yes
O36 . Ce9 . O52 . 105.4(3) yes
Ce48 . Ce9 . O52 . 35.2(2) yes
O49 . Ce9 . O52 . 68.5(4) yes
O14 . Ce9 . O254 . 68.5(4) yes
Ce23 . Ce9 . O254 . 144.4(3) yes
O36 . Ce9 . O254 . 171.6(4) yes
Ce48 . Ce9 . O254 . 90.1(3) yes
O49 . Ce9 . O254 . 112.5(4) yes
O14 . Ce9 . O321 . 68.5(4) yes
Ce23 . Ce9 . O321 . 90.1(3) yes
O36 . Ce9 . O321 . 67.9(4) yes
Ce48 . Ce9 . O321 . 144.6(3) yes
O49 . Ce9 . O321 . 111.8(4) yes
O14 . Ce9 . N371 . 105.2(4) yes
Ce23 . Ce9 . N371 . 94.8(3) yes
O36 . Ce9 . N371 . 114.0(5) yes
Ce48 . Ce9 . N371 . 92.6(3) yes
O49 . Ce9 . N371 . 76.6(4) yes
O52 . Ce9 . O254 . 67.5(4) yes
O52 . Ce9 . O321 . 171.6(4) yes
O254 . Ce9 . O321 . 118.7(4) yes
O52 . Ce9 . N371 . 109.9(4) yes
O254 . Ce9 . N371 . 73.5(5) yes
O321 . Ce9 . N371 . 78.0(5) yes
Ce7 . Ce10 . Ce6 . 58.87(2) yes
Ce7 . Ce10 . O11 . 35.2(2) yes
Ce6 . Ce10 . O11 . 35.4(2) yes
Ce7 . Ce10 . Ce12 . 119.52(3) yes
Ce6 . Ce10 . Ce12 . 88.25(3) yes
O11 . Ce10 . Ce12 . 88.3(3) yes
Ce7 . Ce10 . Ce13 . 88.41(3) yes
Ce6 . Ce10 . Ce13 . 119.85(3) yes
O11 . Ce10 . Ce13 . 88.4(3) yes
Ce12 . Ce10 . Ce13 . 64.49(3) yes
Ce7 . Ce10 . O14 . 91.4(3) yes
Ce6 . Ce10 . O14 . 91.3(3) yes
O11 . Ce10 . O14 . 71.1(4) yes
Ce12 . Ce10 . O14 . 35.7(3) yes
Ce13 . Ce10 . O14 . 36.2(3) yes
Ce7 . Ce10 . O16 . 83.5(3) yes
Ce6 . Ce10 . O16 . 137.2(3) yes
O11 . Ce10 . O16 . 101.8(4) yes
Ce12 . Ce10 . O16 . 94.2(3) yes
Ce13 . Ce10 . O16 . 32.2(3) yes
Ce7 . Ce10 . Ce60 . 87.68(3) yes
Ce6 . Ce10 . Ce60 . 59.64(2) yes
O11 . Ce10 . Ce60 . 89.7(3) yes
Ce12 . Ce10 . Ce60 . 119.55(3) yes
Ce13 . Ce10 . Ce60 . 175.48(3) yes
Ce7 . Ce10 . O62 . 87.6(2) yes
Ce6 . Ce10 . O62 . 34.5(2) yes
O11 . Ce10 . O62 . 69.9(3) yes
Ce12 . Ce10 . O62 . 89.2(2) yes
Ce13 . Ce10 . O62 . 146.7(2) yes
Ce7 . Ce10 . O87 . 136.9(3) yes
Ce6 . Ce10 . O87 . 83.4(3) yes
O11 . Ce10 . O87 . 101.8(4) yes
Ce12 . Ce10 . O87 . 32.0(3) yes
Ce13 . Ce10 . O87 . 93.9(3) yes
Ce7 . Ce10 . Ce111 . 59.19(2) yes
Ce6 . Ce10 . Ce111 . 87.40(3) yes
O11 . Ce10 . Ce111 . 89.1(3) yes
Ce12 . Ce10 . Ce111 . 175.37(3) yes
Ce13 . Ce10 . Ce111 . 119.26(3) yes
Ce7 . Ce10 . O112 . 87.9(3) yes
Ce6 . Ce10 . O112 . 87.9(3) yes
O11 . Ce10 . O112 . 108.0(4) yes
Ce12 . Ce10 . O112 . 144.6(3) yes
Ce13 . Ce10 . O112 . 144.2(3) yes
Ce7 . Ce10 . O152 . 34.5(2) yes
Ce6 . Ce10 . O152 . 87.6(2) yes
O11 . Ce10 . O152 . 69.7(3) yes
Ce12 . Ce10 . O152 . 146.4(3) yes
Ce13 . Ce10 . O152 . 89.1(2) yes
Ce7 . Ce10 . N365 . 148.5(3) yes
Ce6 . Ce10 . N365 . 146.2(3) yes
O11 . Ce10 . N365 . 174.3(4) yes
Ce12 . Ce10 . N365 . 86.4(3) yes
Ce13 . Ce10 . N365 . 87.5(3) yes
O14 . Ce10 . O16 . 68.3(4) yes
O14 . Ce10 . Ce60 . 146.1(3) yes
O16 . Ce10 . Ce60 . 144.8(3) yes
O14 . Ce10 . O62 . 110.9(3) yes
O16 . Ce10 . O62 . 171.0(4) yes
Ce60 . Ce10 . O62 . 35.3(2) yes
O14 . Ce10 . O87 . 67.6(4) yes
O16 . Ce10 . O87 . 118.8(4) yes
Ce60 . Ce10 . O87 . 90.5(3) yes
O62 . Ce10 . O87 . 67.6(4) yes
O14 . Ce10 . Ce111 . 146.0(3) yes
O16 . Ce10 . Ce111 . 90.1(3) yes
Ce60 . Ce10 . Ce111 . 56.60(2) yes
O62 . Ce10 . Ce111 . 86.3(2) yes
O87 . Ce10 . Ce111 . 145.5(3) yes
O14 . Ce10 . O112 . 179.1(4) yes
O16 . Ce10 . O112 . 112.1(4) yes
Ce60 . Ce10 . O112 . 33.3(3) yes
O62 . Ce10 . O112 . 68.6(4) yes
O87 . Ce10 . O112 . 112.7(4) yes
O14 . Ce10 . O152 . 111.1(4) yes
O16 . Ce10 . O152 . 67.4(4) yes
Ce60 . Ce10 . O152 . 86.4(2) yes
O62 . Ce10 . O152 . 105.5(3) yes
O87 . Ce10 . O152 . 170.9(4) yes
O14 . Ce10 . N365 . 103.3(4) yes
O16 . Ce10 . N365 . 76.6(4) yes
Ce60 . Ce10 . N365 . 94.7(3) yes
O62 . Ce10 . N365 . 112.0(4) yes
O87 . Ce10 . N365 . 74.6(4) yes
Ce111 . Ce10 . O112 . 33.6(3) yes
Ce111 . Ce10 . O152 . 34.9(3) yes
O112 . Ce10 . O152 . 68.5(4) yes
Ce111 . Ce10 . N365 . 96.4(3) yes
O112 . Ce10 . N365 . 77.6(4) yes
O152 . Ce10 . N365 . 114.2(4) yes
Ce6 . O11 . Ce7 . 106.2(4) yes
Ce6 . O11 . Ce10 . 109.7(4) yes
Ce7 . O11 . Ce10 . 110.2(4) yes
Ce6 . O11 . Ce9 . 110.3(4) yes
Ce7 . O11 . Ce9 . 110.4(4) yes
Ce10 . O11 . Ce9 . 110.1(4) yes
Ce10 . Ce12 . Ce9 . 60.65(2) yes
Ce10 . Ce12 . O14 . 36.6(3) yes
Ce9 . Ce12 . O14 . 36.9(3) yes
Ce10 . Ce12 . Ce51 . 90.94(3) yes
Ce9 . Ce12 . Ce51 . 60.37(2) yes
O14 . Ce12 . Ce51 . 92.7(3) yes
Ce10 . Ce12 . Ce61 . 59.76(2) yes
Ce9 . Ce12 . Ce61 . 91.25(3) yes
O14 . Ce12 . Ce61 . 92.2(3) yes
Ce51 . Ce12 . Ce61 . 61.74(2) yes
Ce10 . Ce12 . O86 . 94.5(2) yes
Ce9 . Ce12 . O86 . 94.6(3) yes
O14 . Ce12 . O86 . 117.1(4) yes
Ce51 . Ce12 . O86 . 38.1(3) yes
Ce61 . Ce12 . O86 . 38.9(2) yes
Ce10 . Ce12 . O87 . 33.7(3) yes
Ce9 . Ce12 . O87 . 86.7(3) yes
O14 . Ce12 . O87 . 70.2(4) yes
Ce51 . Ce12 . O87 . 86.1(3) yes
Ce61 . Ce12 . O87 . 31.6(3) yes
Ce10 . Ce12 . O90 . 109.1(3) yes
Ce9 . Ce12 . O90 . 162.7(3) yes
O14 . Ce12 . O90 . 141.3(4) yes
Ce51 . Ce12 . O90 . 108.4(3) yes
Ce61 . Ce12 . O90 . 71.5(3) yes
Ce10 . Ce12 . O254 . 87.9(3) yes
Ce9 . Ce12 . O254 . 34.8(3) yes
O14 . Ce12 . O254 . 71.6(4) yes
Ce51 . Ce12 . O254 . 32.2(3) yes
Ce61 . Ce12 . O254 . 87.4(3) yes
Ce10 . Ce12 . O257 . 163.7(3) yes
Ce9 . Ce12 . O257 . 107.3(4) yes
O14 . Ce12 . O257 . 138.7(5) yes
Ce51 . Ce12 . O257 . 73.0(3) yes
Ce61 . Ce12 . O257 . 112.6(3) yes
Ce10 . Ce12 . O346 . 109.7(9) yes
Ce9 . Ce12 . O346 . 71.9(6) yes
O14 . Ce12 . O346 . 74.5(9) yes
Ce51 . Ce12 . O346 . 107.8(5) yes
Ce61 . Ce12 . O346 . 163.2(6) yes
Ce10 . Ce12 . O354 . 65.8(4) yes
Ce9 . Ce12 . O354 . 94.8(4) yes
O14 . Ce12 . O354 . 60.5(5) yes
Ce51 . Ce12 . O354 . 153.0(4) yes
Ce61 . Ce12 . O354 . 112.3(4) yes
Ce10 . Ce12 . C355 . 83.8(8) yes
Ce9 . Ce12 . C355 . 114.4(6) yes
O14 . Ce12 . C355 . 81.5(7) yes
Ce51 . Ce12 . C355 . 174.1(7) yes
Ce61 . Ce12 . C355 . 117.2(7) yes
Ce10 . Ce12 . O356 . 103.6(7) yes
Ce9 . Ce12 . O356 . 128.0(4) yes
O14 . Ce12 . O356 . 99.6(6) yes
Ce51 . Ce12 . O356 . 165.4(7) yes
Ce61 . Ce12 . O356 . 125.0(6) yes
O86 . Ce12 . O87 . 70.4(4) yes
O86 . Ce12 . O90 . 71.4(4) yes
O87 . Ce12 . O90 . 79.1(4) yes
O86 . Ce12 . O254 . 70.3(4) yes
O87 . Ce12 . O254 . 101.1(4) yes
O90 . Ce12 . O254 . 139.1(4) yes
O86 . Ce12 . O257 . 74.7(4) yes
O87 . Ce12 . O257 . 143.3(5) yes
O90 . Ce12 . O257 . 79.5(5) yes
O254 . Ce12 . O257 . 77.0(5) yes
O86 . Ce12 . O346 . 139.7(7) yes
O87 . Ce12 . O346 . 142.5(10) yes
O90 . Ce12 . O346 . 125.3(7) yes
O254 . Ce12 . O346 . 78.8(5) yes
O257 . Ce12 . O346 . 73.7(10) yes
O86 . Ce12 . O354 . 149.8(5) yes
O87 . Ce12 . O354 . 81.6(5) yes
O90 . Ce12 . O354 . 92.8(5) yes
O254 . Ce12 . O354 . 127.9(5) yes
O257 . Ce12 . O354 . 128.9(5) yes
O86 . Ce12 . C355 . 144.8(5) yes
O87 . Ce12 . C355 . 90.9(8) yes
O90 . Ce12 . C355 . 75.9(6) yes
O254 . Ce12 . C355 . 144.4(6) yes
O257 . Ce12 . C355 . 112.1(9) yes
O86 . Ce12 . O356 . 137.2(5) yes
O87 . Ce12 . O356 . 105.3(8) yes
O90 . Ce12 . O356 . 66.1(5) yes
O254 . Ce12 . O356 . 147.3(6) yes
O257 . Ce12 . O356 . 92.6(8) yes
O346 . Ce12 . O354 . 70.4(8) yes
O346 . Ce12 . C355 . 71.7(8) yes
O354 . Ce12 . C355 . 21.2(7) yes
O346 . Ce12 . O356 . 68.5(6) yes
O354 . Ce12 . O356 . 40.6(7) yes
C355 . Ce12 . O356 . 20.1(11) yes
Ce9 . Ce13 . Ce10 . 60.87(2) yes
Ce9 . Ce13 . O14 . 36.8(3) yes
Ce10 . Ce13 . O14 . 37.1(3) yes
Ce9 . Ce13 . Ce15 . 91.15(3) yes
Ce10 . Ce13 . Ce15 . 60.43(3) yes
O14 . Ce13 . Ce15 . 93.1(3) yes
Ce9 . Ce13 . O16 . 86.5(3) yes
Ce10 . Ce13 . O16 . 33.3(3) yes
O14 . Ce13 . O16 . 70.3(4) yes
Ce15 . Ce13 . O16 . 32.8(3) yes
Ce9 . Ce13 . Ce17 . 60.02(2) yes
Ce10 . Ce13 . Ce17 . 91.37(3) yes
O14 . Ce13 . Ce17 . 92.7(3) yes
Ce15 . Ce13 . Ce17 . 61.59(3) yes
O16 . Ce13 . Ce17 . 86.8(3) yes
Ce9 . Ce13 . O18 . 94.4(3) yes
Ce10 . Ce13 . O18 . 95.0(3) yes
O14 . Ce13 . O18 . 117.5(4) yes
Ce15 . Ce13 . O18 . 38.6(3) yes
O16 . Ce13 . O18 . 71.3(4) yes
Ce9 . Ce13 . O321 . 34.6(3) yes
Ce10 . Ce13 . O321 . 87.9(3) yes
O14 . Ce13 . O321 . 71.4(4) yes
Ce15 . Ce13 . O321 . 86.6(3) yes
O16 . Ce13 . O321 . 100.8(5) yes
Ce9 . Ce13 . O324 . 108.9(3) yes
Ce10 . Ce13 . O324 . 162.2(3) yes
O14 . Ce13 . O324 . 141.4(4) yes
Ce15 . Ce13 . O324 . 107.8(3) yes
O16 . Ce13 . O324 . 139.6(4) yes
Ce9 . Ce13 . O335 . 163.7(4) yes
Ce10 . Ce13 . O335 . 107.4(5) yes
O14 . Ce13 . O335 . 139.1(5) yes
Ce15 . Ce13 . O335 . 72.7(4) yes
O16 . Ce13 . O335 . 78.6(6) yes
Ce9 . Ce13 . O344 . 102.4(7) yes
Ce10 . Ce13 . O344 . 127.3(4) yes
O14 . Ce13 . O344 . 98.2(6) yes
Ce15 . Ce13 . O344 . 166.4(7) yes
O16 . Ce13 . O344 . 147.4(6) yes
Ce9 . Ce13 . C345 . 83.0(8) yes
Ce10 . Ce13 . C345 . 114.5(5) yes
O14 . Ce13 . C345 . 81.0(7) yes
Ce15 . Ce13 . C345 . 173.8(7) yes
O16 . Ce13 . C345 . 143.9(5) yes
Ce9 . Ce13 . O346 . 64.9(3) yes
Ce10 . Ce13 . O346 . 93.8(3) yes
O14 . Ce13 . O346 . 59.1(4) yes
Ce15 . Ce13 . O346 . 152.0(3) yes
O16 . Ce13 . O346 . 125.8(5) yes
Ce9 . Ce13 . O354 . 108.2(10) yes
Ce10 . Ce13 . O354 . 72.0(7) yes
O14 . Ce13 . O354 . 73.0(10) yes
Ce15 . Ce13 . O354 . 109.5(5) yes
O16 . Ce13 . O354 . 80.3(6) yes
Ce17 . Ce13 . O18 . 38.2(3) yes
Ce17 . Ce13 . O321 . 31.6(3) yes
O18 . Ce13 . O321 . 69.7(4) yes
Ce17 . Ce13 . O324 . 70.9(3) yes
O18 . Ce13 . O324 . 70.4(4) yes
O321 . Ce13 . O324 . 77.7(4) yes
Ce17 . Ce13 . O335 . 111.9(4) yes
O18 . Ce13 . O335 . 74.6(5) yes
O321 . Ce13 . O335 . 142.2(5) yes
O324 . Ce13 . O335 . 79.1(6) yes
Ce17 . Ce13 . O344 . 124.9(6) yes
O18 . Ce13 . O344 . 137.5(5) yes
O321 . Ce13 . O344 . 104.1(8) yes
O324 . Ce13 . O344 . 67.3(5) yes
O335 . Ce13 . O344 . 93.8(8) yes
Ce17 . Ce13 . C345 . 116.6(7) yes
O18 . Ce13 . C345 . 143.7(5) yes
O321 . Ce13 . C345 . 89.8(8) yes
O324 . Ce13 . C345 . 76.2(5) yes
O335 . Ce13 . C345 . 113.0(9) yes
Ce17 . Ce13 . O346 . 112.3(3) yes
O18 . Ce13 . O346 . 149.3(4) yes
O321 . Ce13 . O346 . 81.3(5) yes
O324 . Ce13 . O346 . 94.2(5) yes
O335 . Ce13 . O346 . 129.9(5) yes
Ce17 . Ce13 . O354 . 163.2(7) yes
O18 . Ce13 . O354 . 142.4(8) yes
O321 . Ce13 . O354 . 141.5(10) yes
O324 . Ce13 . O354 . 125.8(8) yes
O335 . Ce13 . O354 . 76.1(10) yes
O344 . Ce13 . C345 . 19.6(10) yes
O344 . Ce13 . O346 . 40.6(7) yes
C345 . Ce13 . O346 . 21.9(6) yes
O344 . Ce13 . O354 . 67.1(7) yes
C345 . Ce13 . O354 . 70.6(8) yes
O346 . Ce13 . O354 . 68.1(8) yes
Ce10 . O14 . Ce9 . 107.4(5) yes
Ce10 . O14 . Ce12 . 107.7(4) yes
Ce9 . O14 . Ce12 . 107.0(4) yes
Ce10 . O14 . Ce13 . 106.7(4) yes
Ce9 . O14 . Ce13 . 107.1(4) yes
Ce12 . O14 . Ce13 . 120.4(6) yes
Ce13 . Ce15 . Ce7 . 90.21(3) yes
Ce13 . Ce15 . O16 . 32.1(3) yes
Ce7 . Ce15 . O16 . 86.5(3) yes
Ce13 . Ce15 . O18 . 40.1(3) yes
Ce7 . Ce15 . O18 . 92.9(3) yes
O16 . Ce15 . O18 . 72.1(4) yes
Ce13 . Ce15 . Ce19 . 118.95(3) yes
Ce7 . Ce15 . Ce19 . 61.51(2) yes
O16 . Ce15 . Ce19 . 140.1(3) yes
O18 . Ce15 . Ce19 . 85.5(3) yes
Ce13 . Ce15 . O20 . 86.1(3) yes
Ce7 . Ce15 . O20 . 36.1(3) yes
O16 . Ce15 . O20 . 101.5(4) yes
O18 . Ce15 . O20 . 67.1(4) yes
Ce19 . Ce15 . O20 . 38.6(3) yes
Ce13 . Ce15 . Ce111 . 120.13(3) yes
Ce7 . Ce15 . Ce111 . 60.41(2) yes
O16 . Ce15 . Ce111 . 91.1(3) yes
O18 . Ce15 . Ce111 . 149.8(3) yes
Ce19 . Ce15 . Ce111 . 92.64(3) yes
Ce13 . Ce15 . O115 . 151.4(3) yes
Ce7 . Ce15 . O115 . 61.3(3) yes
O16 . Ce15 . O115 . 136.7(4) yes
O18 . Ce15 . O115 . 132.6(4) yes
Ce19 . Ce15 . O115 . 47.8(2) yes
Ce13 . Ce15 . O152 . 90.4(3) yes
Ce7 . Ce15 . O152 . 36.3(3) yes
O16 . Ce15 . O152 . 69.1(4) yes
O18 . Ce15 . O152 . 115.1(4) yes
Ce19 . Ce15 . O152 . 92.7(3) yes
Ce13 . Ce15 . O153 . 117.8(3) yes
Ce7 . Ce15 . O153 . 100.6(3) yes
O16 . Ce15 . O153 . 87.2(4) yes
O18 . Ce15 . O153 . 154.6(4) yes
Ce19 . Ce15 . O153 . 119.8(3) yes
Ce13 . Ce15 . C154 . 129.3(4) yes
Ce7 . Ce15 . C154 . 120.2(4) yes
O16 . Ce15 . C154 . 105.1(5) yes
O18 . Ce15 . C154 . 146.8(5) yes
Ce19 . Ce15 . C154 . 111.4(4) yes
Ce13 . Ce15 . O155 . 141.3(3) yes
Ce7 . Ce15 . O155 . 126.5(3) yes
O16 . Ce15 . O155 . 127.2(4) yes
O18 . Ce15 . O155 . 133.2(4) yes
Ce19 . Ce15 . O155 . 92.3(3) yes
Ce13 . Ce15 . O310 . 116.7(3) yes
Ce7 . Ce15 . O310 . 106.5(3) yes
O16 . Ce15 . O310 . 147.7(5) yes
O18 . Ce15 . O310 . 77.6(4) yes
Ce19 . Ce15 . O310 . 45.3(3) yes
Ce13 . Ce15 . O333 . 71.4(4) yes
Ce7 . Ce15 . O333 . 160.5(4) yes
O16 . Ce15 . O333 . 74.5(5) yes
O18 . Ce15 . O333 . 77.3(4) yes
Ce19 . Ce15 . O333 . 132.9(3) yes
O20 . Ce15 . Ce111 . 93.0(3) yes
O20 . Ce15 . O115 . 70.0(4) yes
Ce111 . Ce15 . O115 . 49.0(2) yes
O20 . Ce15 . O152 . 72.2(4) yes
Ce111 . Ce15 . O152 . 34.8(3) yes
O115 . Ce15 . O152 . 67.9(4) yes
O20 . Ce15 . O153 . 133.4(4) yes
Ce111 . Ce15 . O153 . 40.7(3) yes
O115 . Ce15 . O153 . 72.7(4) yes
O152 . Ce15 . O153 . 68.6(4) yes
O20 . Ce15 . C154 . 142.6(5) yes
Ce111 . Ce15 . C154 . 60.9(4) yes
O115 . Ce15 . C154 . 72.7(5) yes
O152 . Ce15 . C154 . 93.2(5) yes
O153 . Ce15 . C154 . 26.4(4) yes
O20 . Ce15 . O155 . 130.0(4) yes
Ce111 . Ce15 . O155 . 76.9(3) yes
O115 . Ce15 . O155 . 66.8(4) yes
O152 . Ce15 . O155 . 111.7(4) yes
O153 . Ce15 . O155 . 50.8(4) yes
O20 . Ce15 . O310 . 76.5(4) yes
Ce111 . Ce15 . O310 . 121.2(3) yes
O115 . Ce15 . O310 . 73.7(4) yes
O152 . Ce15 . O310 . 136.7(4) yes
O153 . Ce15 . O310 . 118.0(4) yes
O20 . Ce15 . O333 . 143.3(4) yes
Ce111 . Ce15 . O333 . 123.2(3) yes
O115 . Ce15 . O333 . 137.1(4) yes
O152 . Ce15 . O333 . 134.3(4) yes
O153 . Ce15 . O333 . 83.2(4) yes
C154 . Ce15 . O155 . 25.5(5) yes
C154 . Ce15 . O310 . 93.9(5) yes
O155 . Ce15 . O310 . 68.4(4) yes
C154 . Ce15 . O333 . 70.3(5) yes
O155 . Ce15 . O333 . 70.5(5) yes
O310 . Ce15 . O333 . 88.0(4) yes
Ce10 . O16 . Ce15 . 113.8(5) yes
Ce10 . O16 . Ce13 . 114.6(5) yes
Ce15 . O16 . Ce13 . 115.1(5) yes
Ce13 . Ce17 . Ce7 . 89.90(3) yes
Ce13 . Ce17 . O18 . 39.9(3) yes
Ce7 . Ce17 . O18 . 92.8(3) yes
Ce13 . Ce17 . Ce19 . 117.88(3) yes
Ce7 . Ce17 . Ce19 . 61.07(2) yes
O18 . Ce17 . Ce19 . 84.8(3) yes
Ce13 . Ce17 . O20 . 86.0(3) yes
Ce7 . Ce17 . O20 . 35.8(3) yes
O18 . Ce17 . O20 . 67.4(4) yes
Ce19 . Ce17 . O20 . 37.9(3) yes
Ce13 . Ce17 . O21 . 150.2(2) yes
Ce7 . Ce17 . O21 . 60.3(2) yes
O18 . Ce17 . O21 . 132.9(4) yes
Ce19 . Ce17 . O21 . 48.9(2) yes
O20 . Ce17 . O21 . 69.4(4) yes
Ce13 . Ce17 . Ce23 . 120.43(3) yes
Ce7 . Ce17 . Ce23 . 60.57(2) yes
O18 . Ce17 . Ce23 . 150.0(3) yes
Ce19 . Ce17 . Ce23 . 92.75(3) yes
O20 . Ce17 . Ce23 . 92.7(3) yes
Ce13 . Ce17 . O36 . 90.8(2) yes
Ce7 . Ce17 . O36 . 35.9(2) yes
O18 . Ce17 . O36 . 115.2(4) yes
Ce19 . Ce17 . O36 . 91.9(3) yes
O20 . Ce17 . O36 . 71.6(4) yes
Ce13 . Ce17 . O37 . 116.5(3) yes
Ce7 . Ce17 . O37 . 103.5(3) yes
O18 . Ce17 . O37 . 152.1(4) yes
Ce19 . Ce17 . O37 . 122.9(3) yes
O20 . Ce17 . O37 . 136.1(4) yes
Ce13 . Ce17 . O300 . 119.7(3) yes
Ce7 . Ce17 . O300 . 102.2(3) yes
O18 . Ce17 . O300 . 80.2(4) yes
Ce19 . Ce17 . O300 . 41.2(3) yes
O20 . Ce17 . O300 . 73.5(4) yes
Ce13 . Ce17 . C301 . 131.6(4) yes
Ce7 . Ce17 . C301 . 121.1(4) yes
O18 . Ce17 . C301 . 97.9(5) yes
Ce19 . Ce17 . C301 . 62.5(4) yes
O20 . Ce17 . C301 . 98.6(5) yes
Ce13 . Ce17 . O302 . 139.8(3) yes
Ce7 . Ce17 . O302 . 129.0(3) yes
O18 . Ce17 . O302 . 117.5(4) yes
Ce19 . Ce17 . O302 . 80.7(3) yes
O20 . Ce17 . O302 . 118.6(4) yes
Ce13 . Ce17 . O321 . 31.3(3) yes
Ce7 . Ce17 . O321 . 87.6(3) yes
O18 . Ce17 . O321 . 71.2(4) yes
Ce19 . Ce17 . O321 . 139.7(3) yes
O20 . Ce17 . O321 . 102.0(4) yes
Ce13 . Ce17 . O322 . 73.1(3) yes
Ce7 . Ce17 . O322 . 163.0(3) yes
O18 . Ce17 . O322 . 74.4(4) yes
Ce19 . Ce17 . O322 . 127.0(3) yes
O20 . Ce17 . O322 . 139.2(4) yes
O21 . Ce17 . Ce23 . 47.7(2) yes
O21 . Ce17 . O36 . 66.1(3) yes
Ce23 . Ce17 . O36 . 34.8(2) yes
O21 . Ce17 . O37 . 75.0(4) yes
Ce23 . Ce17 . O37 . 43.6(3) yes
O36 . Ce17 . O37 . 71.1(3) yes
O21 . Ce17 . O300 . 70.3(4) yes
Ce23 . Ce17 . O300 . 116.7(3) yes
O36 . Ce17 . O300 . 131.1(4) yes
O37 . Ce17 . O300 . 117.3(4) yes
O21 . Ce17 . C301 . 70.8(5) yes
Ce23 . Ce17 . C301 . 107.5(4) yes
O36 . Ce17 . C301 . 136.5(5) yes
O37 . Ce17 . C301 . 93.0(5) yes
O300 . Ce17 . C301 . 26.6(5) yes
O21 . Ce17 . O302 . 69.3(4) yes
Ce23 . Ce17 . O302 . 91.5(3) yes
O36 . Ce17 . O302 . 125.7(4) yes
O37 . Ce17 . O302 . 68.9(4) yes
O300 . Ce17 . O302 . 50.6(4) yes
O21 . Ce17 . O321 . 136.8(4) yes
Ce23 . Ce17 . O321 . 92.7(3) yes
O36 . Ce17 . O321 . 71.1(4) yes
O37 . Ce17 . O321 . 86.8(4) yes
O300 . Ce17 . O321 . 150.2(4) yes
O21 . Ce17 . O322 . 136.7(4) yes
Ce23 . Ce17 . O322 . 128.1(3) yes
O36 . Ce17 . O322 . 141.1(4) yes
O37 . Ce17 . O322 . 84.6(4) yes
O300 . Ce17 . O322 . 86.8(4) yes
C301 . Ce17 . O302 . 24.4(5) yes
C301 . Ce17 . O321 . 150.3(5) yes
O302 . Ce17 . O321 . 138.9(4) yes
C301 . Ce17 . O322 . 72.6(5) yes
O302 . Ce17 . O322 . 67.8(4) yes
O321 . Ce17 . O322 . 77.8(4) yes
Ce13 . O18 . Ce15 . 101.3(4) yes
Ce13 . O18 . Ce17 . 101.9(4) yes
Ce15 . O18 . Ce17 . 107.8(5) yes
Ce13 . O18 . H181 . 109.5 no
Ce15 . O18 . H181 . 115.8 no
Ce17 . O18 . H181 . 118.2 no
Ce17 . Ce19 . Ce15 . 61.36(3) yes
Ce17 . Ce19 . O20 . 34.6(3) yes
Ce15 . Ce19 . O20 . 35.3(3) yes
Ce17 . Ce19 . O21 . 45.7(2) yes
Ce15 . Ce19 . O21 . 99.8(2) yes
O20 . Ce19 . O21 . 64.7(3) yes
Ce17 . Ce19 . Ce22 . 86.36(3) yes
Ce15 . Ce19 . Ce22 . 117.96(3) yes
O20 . Ce19 . Ce22 . 88.4(3) yes
O21 . Ce19 . Ce22 . 43.9(2) yes
Ce17 . Ce19 . Ce114 . 118.07(3) yes
Ce15 . Ce19 . Ce114 . 87.87(3) yes
O20 . Ce19 . Ce114 . 89.6(3) yes
O21 . Ce19 . Ce114 . 98.5(2) yes
Ce22 . Ce19 . Ce114 . 61.28(2) yes
Ce17 . Ce19 . O115 . 100.3(3) yes
Ce15 . Ce19 . O115 . 45.8(3) yes
O20 . Ce19 . O115 . 66.1(4) yes
O21 . Ce19 . O115 . 117.6(3) yes
Ce22 . Ce19 . O115 . 100.4(2) yes
Ce17 . Ce19 . O128 . 88.4(2) yes
Ce15 . Ce19 . O128 . 89.2(2) yes
O20 . Ce19 . O128 . 71.0(4) yes
O21 . Ce19 . O128 . 63.6(3) yes
Ce22 . Ce19 . O128 . 34.8(2) yes
Ce17 . Ce19 . O130 . 161.1(3) yes
Ce15 . Ce19 . O130 . 114.1(3) yes
O20 . Ce19 . O130 . 131.1(4) yes
O21 . Ce19 . O130 . 123.6(4) yes
Ce22 . Ce19 . O130 . 80.0(3) yes
Ce17 . Ce19 . O277 . 110.2(3) yes
Ce15 . Ce19 . O277 . 157.0(3) yes
O20 . Ce19 . O277 . 125.7(4) yes
O21 . Ce19 . O277 . 65.5(4) yes
Ce22 . Ce19 . O277 . 39.2(3) yes
Ce17 . Ce19 . C278 . 114.4(4) yes
Ce15 . Ce19 . C278 . 174.8(4) yes
O20 . Ce19 . C278 . 142.5(4) yes
O21 . Ce19 . C278 . 77.8(4) yes
Ce22 . Ce19 . C278 . 63.5(4) yes
Ce17 . Ce19 . O279 . 109.4(4) yes
Ce15 . Ce19 . O279 . 151.9(4) yes
O20 . Ce19 . O279 . 143.9(4) yes
O21 . Ce19 . O279 . 87.4(4) yes
Ce22 . Ce19 . O279 . 86.0(4) yes
Ce17 . Ce19 . O300 . 43.0(3) yes
Ce15 . Ce19 . O300 . 80.5(3) yes
O20 . Ce19 . O300 . 72.2(4) yes
O21 . Ce19 . O300 . 69.2(4) yes
Ce22 . Ce19 . O300 . 111.4(3) yes
Ce17 . Ce19 . O310 . 76.1(3) yes
Ce15 . Ce19 . O310 . 39.1(3) yes
O20 . Ce19 . O310 . 68.0(4) yes
O21 . Ce19 . O310 . 121.8(4) yes
Ce22 . Ce19 . O310 . 156.3(3) yes
Ce17 . Ce19 . C311 . 97.7(5) yes
Ce15 . Ce19 . C311 . 63.1(5) yes
O20 . Ce19 . C311 . 93.9(6) yes
O21 . Ce19 . C311 . 140.5(5) yes
Ce22 . Ce19 . C311 . 175.7(5) yes
Ce17 . Ce19 . O312 . 119.5(4) yes
Ce15 . Ce19 . O312 . 85.2(4) yes
O20 . Ce19 . O312 . 118.0(5) yes
O21 . Ce19 . O312 . 152.9(4) yes
Ce22 . Ce19 . O312 . 152.4(4) yes
Ce114 . Ce19 . O115 . 46.0(2) yes
Ce114 . Ce19 . O128 . 35.2(2) yes
O115 . Ce19 . O128 . 65.9(3) yes
Ce114 . Ce19 . O130 . 43.4(3) yes
O115 . Ce19 . O130 . 69.6(4) yes
O128 . Ce19 . O130 . 72.9(4) yes
Ce114 . Ce19 . O277 . 77.5(3) yes
O115 . Ce19 . O277 . 123.4(4) yes
O128 . Ce19 . O277 . 68.6(4) yes
O130 . Ce19 . O277 . 66.2(4) yes
Ce114 . Ce19 . C278 . 97.0(4) yes
O115 . Ce19 . C278 . 139.4(5) yes
O128 . Ce19 . C278 . 93.8(5) yes
O130 . Ce19 . C278 . 70.9(5) yes
O277 . Ce19 . C278 . 25.3(5) yes
Ce114 . Ce19 . O279 . 118.1(4) yes
O115 . Ce19 . O279 . 149.9(4) yes
O128 . Ce19 . O279 . 118.0(4) yes
O130 . Ce19 . O279 . 82.8(5) yes
O277 . Ce19 . O279 . 49.5(5) yes
Ce114 . Ce19 . O300 . 161.0(3) yes
O115 . Ce19 . O300 . 126.0(4) yes
O128 . Ce19 . O300 . 128.9(4) yes
O130 . Ce19 . O300 . 155.6(4) yes
O277 . Ce19 . O300 . 108.4(4) yes
Ce114 . Ce19 . O310 . 113.3(3) yes
O115 . Ce19 . O310 . 67.9(4) yes
O128 . Ce19 . O310 . 127.2(4) yes
O130 . Ce19 . O310 . 112.6(4) yes
O277 . Ce19 . O310 . 163.9(4) yes
Ce114 . Ce19 . C311 . 115.1(4) yes
O115 . Ce19 . C311 . 77.3(5) yes
O128 . Ce19 . C311 . 143.2(5) yes
O130 . Ce19 . C311 . 95.7(5) yes
O277 . Ce19 . C311 . 139.4(6) yes
Ce114 . Ce19 . O312 . 108.4(3) yes
O115 . Ce19 . O312 . 85.0(4) yes
O128 . Ce19 . O312 . 143.5(4) yes
O130 . Ce19 . O312 . 76.6(4) yes
O277 . Ce19 . O312 . 116.1(5) yes
C278 . Ce19 . O279 . 24.4(5) yes
C278 . Ce19 . O300 . 94.4(5) yes
O279 . Ce19 . O300 . 76.8(5) yes
C278 . Ce19 . O310 . 138.7(5) yes
O279 . Ce19 . O310 . 114.7(5) yes
O300 . Ce19 . O310 . 65.6(4) yes
C278 . Ce19 . C311 . 115.8(6) yes
O279 . Ce19 . C311 . 94.2(6) yes
O300 . Ce19 . C311 . 72.8(5) yes
O310 . Ce19 . C311 . 25.9(6) yes
C278 . Ce19 . O312 . 94.8(5) yes
O279 . Ce19 . O312 . 76.8(5) yes
O300 . Ce19 . O312 . 85.7(5) yes
O310 . Ce19 . O312 . 50.2(5) yes
C311 . Ce19 . O312 . 24.4(5) yes
Ce19 . O20 . Ce7 . 106.9(5) yes
Ce19 . O20 . Ce15 . 106.0(4) yes
Ce7 . O20 . Ce15 . 109.0(4) yes
Ce19 . O20 . Ce17 . 107.6(4) yes
Ce7 . O20 . Ce17 . 109.7(4) yes
Ce15 . O20 . Ce17 . 117.0(5) yes
Ce17 . O21 . Ce19 . 85.4(3) yes
Ce17 . O21 . Ce22 . 151.4(4) yes
Ce19 . O21 . Ce22 . 87.0(3) yes
Ce17 . O21 . Ce23 . 85.9(3) yes
Ce19 . O21 . Ce23 . 150.5(4) yes
Ce22 . O21 . Ce23 . 87.3(3) yes
Ce19 . Ce22 . O21 . 49.2(2) yes
Ce19 . Ce22 . Ce2 . 118.54(3) yes
O21 . Ce22 . Ce2 . 151.0(2) yes
Ce19 . Ce22 . Ce7 . 61.20(2) yes
O21 . Ce22 . Ce7 . 60.9(2) yes
Ce2 . Ce22 . Ce7 . 90.14(3) yes
Ce19 . Ce22 . Ce23 . 93.24(3) yes
O21 . Ce22 . Ce23 . 48.1(2) yes
Ce2 . Ce22 . Ce23 . 119.81(3) yes
Ce7 . Ce22 . Ce23 . 60.79(2) yes
Ce19 . Ce22 . O24 . 92.5(3) yes
O21 . Ce22 . O24 . 67.0(4) yes
Ce2 . Ce22 . O24 . 90.2(3) yes
Ce7 . Ce22 . O24 . 36.2(3) yes
Ce23 . Ce22 . O24 . 35.1(2) yes
Ce19 . Ce22 . O25 . 122.1(3) yes
O21 . Ce22 . O25 . 73.5(4) yes
Ce2 . Ce22 . O25 . 116.0(3) yes
Ce7 . Ce22 . O25 . 101.4(3) yes
Ce23 . Ce22 . O25 . 41.4(3) yes
Ce19 . Ce22 . C26 . 113.0(4) yes
O21 . Ce22 . C26 . 73.3(4) yes
Ce2 . Ce22 . C26 . 128.0(4) yes
Ce7 . Ce22 . C26 . 121.0(4) yes
Ce23 . Ce22 . C26 . 61.2(4) yes
Ce19 . Ce22 . O27 . 94.0(3) yes
O21 . Ce22 . O27 . 68.3(4) yes
Ce2 . Ce22 . O27 . 139.9(3) yes
Ce7 . Ce22 . O27 . 127.9(3) yes
Ce23 . Ce22 . O27 . 77.5(3) yes
Ce19 . Ce22 . O128 . 37.4(2) yes
O21 . Ce22 . O128 . 69.6(3) yes
Ce2 . Ce22 . O128 . 87.0(2) yes
Ce7 . Ce22 . O128 . 36.0(3) yes
Ce23 . Ce22 . O128 . 93.0(3) yes
Ce19 . Ce22 . O129 . 85.7(3) yes
O21 . Ce22 . O129 . 134.2(3) yes
Ce2 . Ce22 . O129 . 40.0(3) yes
Ce7 . Ce22 . O129 . 93.6(3) yes
Ce23 . Ce22 . O129 . 150.4(3) yes
Ce19 . Ce22 . O277 . 44.7(3) yes
O21 . Ce22 . O277 . 73.2(4) yes
Ce2 . Ce22 . O277 . 118.5(3) yes
Ce7 . Ce22 . O277 . 105.8(3) yes
Ce23 . Ce22 . O277 . 119.7(3) yes
Ce19 . Ce22 . O288 . 140.1(3) yes
O21 . Ce22 . O288 . 136.7(4) yes
Ce2 . Ce22 . O288 . 31.3(3) yes
Ce7 . Ce22 . O288 . 87.5(3) yes
Ce23 . Ce22 . O288 . 91.8(3) yes
Ce19 . Ce22 . O289 . 131.9(3) yes
O21 . Ce22 . O289 . 137.3(4) yes
Ce2 . Ce22 . O289 . 71.5(3) yes
Ce7 . Ce22 . O289 . 160.9(3) yes
Ce23 . Ce22 . O289 . 123.8(3) yes
O24 . Ce22 . O25 . 69.1(4) yes
O24 . Ce22 . C26 . 93.7(5) yes
O25 . Ce22 . C26 . 26.6(5) yes
O24 . Ce22 . O27 . 112.5(4) yes
O25 . Ce22 . O27 . 51.4(4) yes
C26 . Ce22 . O27 . 25.6(5) yes
O24 . Ce22 . O128 . 72.1(4) yes
O25 . Ce22 . O128 . 134.2(4) yes
C26 . Ce22 . O128 . 143.0(5) yes
O27 . Ce22 . O128 . 130.5(4) yes
O24 . Ce22 . O129 . 115.4(4) yes
O25 . Ce22 . O129 . 152.2(4) yes
C26 . Ce22 . O129 . 145.2(4) yes
O27 . Ce22 . O129 . 132.1(4) yes
O128 . Ce22 . O129 . 68.5(4) yes
O24 . Ce22 . O277 . 135.4(4) yes
O25 . Ce22 . O277 . 117.9(4) yes
C26 . Ce22 . O277 . 93.5(6) yes
O27 . Ce22 . O277 . 68.0(4) yes
O128 . Ce22 . O277 . 75.9(4) yes
O24 . Ce22 . O288 . 70.2(4) yes
O25 . Ce22 . O288 . 86.0(4) yes
C26 . Ce22 . O288 . 104.0(5) yes
O27 . Ce22 . O288 . 125.6(4) yes
O128 . Ce22 . O288 . 102.8(4) yes
O24 . Ce22 . O289 . 135.5(4) yes
O25 . Ce22 . O289 . 82.9(4) yes
C26 . Ce22 . O289 . 70.0(5) yes
O27 . Ce22 . O289 . 69.2(4) yes
O128 . Ce22 . O289 . 142.8(4) yes
O129 . Ce22 . O277 . 79.3(4) yes
O129 . Ce22 . O288 . 71.3(4) yes
O277 . Ce22 . O288 . 148.4(4) yes
O129 . Ce22 . O289 . 75.7(4) yes
O277 . Ce22 . O289 . 87.9(4) yes
O288 . Ce22 . O289 . 74.2(4) yes
Ce9 . Ce23 . O21 . 100.5(2) yes
Ce9 . Ce23 . Ce3 . 93.46(3) yes
O21 . Ce23 . Ce3 . 99.8(2) yes
Ce9 . Ce23 . Ce17 . 60.00(2) yes
O21 . Ce23 . Ce17 . 46.4(2) yes
Ce3 . Ce23 . Ce17 . 121.01(3) yes
Ce9 . Ce23 . Ce22 . 120.85(3) yes
O21 . Ce23 . Ce22 . 44.6(2) yes
Ce3 . Ce23 . Ce22 . 60.80(2) yes
Ce17 . Ce23 . Ce22 . 87.60(3) yes
Ce9 . Ce23 . O24 . 91.8(3) yes
O21 . Ce23 . O24 . 64.3(3) yes
Ce3 . Ce23 . O24 . 36.4(3) yes
Ce17 . Ce23 . O24 . 88.9(3) yes
Ce22 . Ce23 . O24 . 35.4(3) yes
Ce9 . Ce23 . O25 . 162.7(3) yes
O21 . Ce23 . O25 . 72.2(4) yes
Ce3 . Ce23 . O25 . 73.0(3) yes
Ce17 . Ce23 . O25 . 117.5(3) yes
Ce22 . Ce23 . O25 . 43.2(3) yes
Ce9 . Ce23 . O36 . 36.3(2) yes
O21 . Ce23 . O36 . 65.0(3) yes
Ce3 . Ce23 . O36 . 92.0(2) yes
Ce17 . Ce23 . O36 . 34.9(2) yes
Ce22 . Ce23 . O36 . 88.7(3) yes
Ce9 . Ce23 . O37 . 71.4(3) yes
O21 . Ce23 . O37 . 71.8(4) yes
Ce3 . Ce23 . O37 . 160.4(3) yes
Ce17 . Ce23 . O37 . 40.6(3) yes
Ce22 . Ce23 . O37 . 115.7(3) yes
Ce9 . Ce23 . C38 . 97.6(4) yes
O21 . Ce23 . C38 . 72.8(4) yes
Ce3 . Ce23 . C38 . 167.6(4) yes
Ce17 . Ce23 . C38 . 61.2(4) yes
Ce22 . Ce23 . C38 . 108.3(3) yes
Ce9 . Ce23 . O39 . 122.4(3) yes
O21 . Ce23 . O39 . 67.6(4) yes
Ce3 . Ce23 . O39 . 143.0(3) yes
Ce17 . Ce23 . O39 . 76.4(3) yes
Ce22 . Ce23 . O39 . 90.4(3) yes
Ce9 . Ce23 . O49 . 33.5(3) yes
O21 . Ce23 . O49 . 133.4(4) yes
Ce3 . Ce23 . O49 . 92.5(3) yes
Ce17 . Ce23 . O49 . 89.0(3) yes
Ce22 . Ce23 . O49 . 145.7(3) yes
Ce9 . Ce23 . O50 . 93.0(3) yes
O21 . Ce23 . O50 . 133.6(4) yes
Ce3 . Ce23 . O50 . 34.7(3) yes
Ce17 . Ce23 . O50 . 146.4(3) yes
Ce22 . Ce23 . O50 . 90.6(3) yes
Ce9 . Ce23 . O268 . 109.5(3) yes
O21 . Ce23 . O268 . 135.0(3) yes
Ce3 . Ce23 . O268 . 110.8(3) yes
Ce17 . Ce23 . O268 . 127.2(3) yes
Ce22 . Ce23 . O268 . 129.0(3) yes
O24 . Ce23 . O25 . 70.9(4) yes
O24 . Ce23 . O36 . 70.3(4) yes
O25 . Ce23 . O36 . 131.2(4) yes
O24 . Ce23 . O37 . 128.9(4) yes
O25 . Ce23 . O37 . 118.9(4) yes
O36 . Ce23 . O37 . 68.4(4) yes
O24 . Ce23 . C38 . 137.1(4) yes
O25 . Ce23 . C38 . 95.0(5) yes
O36 . Ce23 . C38 . 93.7(5) yes
O37 . Ce23 . C38 . 27.2(4) yes
O24 . Ce23 . O39 . 124.8(4) yes
O25 . Ce23 . O39 . 70.1(4) yes
O36 . Ce23 . O39 . 111.3(4) yes
O37 . Ce23 . O39 . 51.1(4) yes
C38 . Ce23 . O39 . 25.1(4) yes
O24 . Ce23 . O49 . 110.4(4) yes
O25 . Ce23 . O49 . 153.5(4) yes
O36 . Ce23 . O49 . 69.8(4) yes
O37 . Ce23 . O49 . 81.7(4) yes
C38 . Ce23 . O49 . 99.8(5) yes
O24 . Ce23 . O50 . 71.1(4) yes
O25 . Ce23 . O50 . 81.9(4) yes
O36 . Ce23 . O50 . 111.6(4) yes
O37 . Ce23 . O50 . 153.5(4) yes
C38 . Ce23 . O50 . 149.0(4) yes
O24 . Ce23 . O268 . 143.6(4) yes
O25 . Ce23 . O268 . 85.8(4) yes
O36 . Ce23 . O268 . 141.8(4) yes
O37 . Ce23 . O268 . 86.6(4) yes
C38 . Ce23 . O268 . 70.6(4) yes
O39 . Ce23 . O49 . 121.9(4) yes
O39 . Ce23 . O50 . 137.2(4) yes
O49 . Ce23 . O50 . 74.0(4) yes
O39 . Ce23 . O268 . 68.1(4) yes
O49 . Ce23 . O268 . 78.6(4) yes
O50 . Ce23 . O268 . 78.4(4) yes
Ce3 . O24 . Ce7 . 110.4(4) yes
Ce3 . O24 . Ce22 . 109.2(4) yes
Ce7 . O24 . Ce22 . 108.3(4) yes
Ce3 . O24 . Ce23 . 108.8(4) yes
Ce7 . O24 . Ce23 . 110.5(4) yes
Ce22 . O24 . Ce23 . 109.6(4) yes
Ce22 . O25 . Ce23 . 95.4(4) yes
Ce22 . O25 . C26 . 92.8(12) yes
Ce23 . O25 . C26 . 129.1(11) yes
O25 . C26 . Ce22 . 60.6(10) yes
O25 . C26 . O27 . 119.1(19) yes
Ce22 . C26 . O27 . 61.3(10) yes
O25 . C26 . C28 . 118(2) yes
Ce22 . C26 . C28 . 159.3(11) yes
O27 . C26 . C28 . 122.5(18) yes
Ce22 . O27 . C26 . 93.1(11) yes
C26 . C28 . C29 . 120.7(14) yes
C26 . C28 . C35 . 119.3(14) yes
C29 . C28 . C35 . 120.00(4) yes
C28 . C29 . C30 . 120.00(3) yes
C28 . C29 . H291 . 117.7 no
C30 . C29 . H291 . 122.3 no
C29 . C30 . C31 . 120.00(3) yes
C29 . C30 . H301 . 117.7 no
C31 . C30 . H301 . 121.7 no
C30 . C31 . O32 . 120.00(7) yes
C30 . C31 . C34 . 120.00(3) yes
O32 . C31 . C34 . 119.99(7) yes
C31 . O32 . C2 . 117.2(16) yes
C31 . C34 . C35 . 120.00(3) yes
C31 . C34 . H341 . 122.1 no
C35 . C34 . H341 . 117.7 no
C28 . C35 . C34 . 120.00(3) yes
C28 . C35 . H351 . 120.3 no
C34 . C35 . H351 . 119.4 no
Ce9 . O36 . Ce7 . 110.3(4) yes
Ce9 . O36 . Ce17 . 108.1(4) yes
Ce7 . O36 . Ce17 . 108.9(4) yes
Ce9 . O36 . Ce23 . 108.8(4) yes
Ce7 . O36 . Ce23 . 110.4(4) yes
Ce17 . O36 . Ce23 . 110.3(4) yes
Ce23 . O37 . Ce17 . 95.8(4) yes
Ce23 . O37 . C38 . 88.5(10) yes
Ce17 . O37 . C38 . 130.6(10) yes
Ce23 . C38 . O37 . 64.3(9) yes
Ce23 . C38 . O39 . 61.6(9) yes
O37 . C38 . O39 . 121.6(16) yes
Ce23 . C38 . C40 . 157.4(12) yes
O37 . C38 . C40 . 115.0(16) yes
O39 . C38 . C40 . 123.4(17) yes
Ce23 . O39 . C38 . 93.3(10) yes
C38 . C40 . C41 . 124.3(19) yes
C38 . C40 . C47 . 113.9(18) yes
C41 . C40 . C47 . 121.5(19) yes
C40 . C41 . C42 . 120(2) yes
C40 . C41 . H411 . 122.3 no
C42 . C41 . H411 . 117.8 no
C41 . C42 . C43 . 125(3) yes
C41 . C42 . H421 . 121.1 no
C43 . C42 . H421 . 114.3 no
C42 . C43 . O44 . 122(3) yes
C42 . C43 . C46 . 118(2) yes
O44 . C43 . C46 . 119(3) yes
C43 . O44 . C45 . 122(3) yes
O44 . C45 . H451 . 108.7 no
O44 . C45 . H452 . 111.5 no
H451 . C45 . H452 . 112.1 no
O44 . C45 . H453 . 106.8 no
H451 . C45 . H453 . 107.6 no
H452 . C45 . H453 . 109.9 no
C43 . C46 . C47 . 119(2) yes
C43 . C46 . H461 . 121.3 no
C47 . C46 . H461 . 120.1 no
C40 . C47 . C46 . 117(2) yes
C40 . C47 . H471 . 121.5 no
C46 . C47 . H471 . 121.1 no
Ce9 . Ce48 . Ce3 . 93.90(3) yes
Ce9 . Ce48 . O49 . 34.1(3) yes
Ce3 . Ce48 . O49 . 92.5(3) yes
Ce9 . Ce48 . O50 . 93.6(3) yes
Ce3 . Ce48 . O50 . 34.9(3) yes
O49 . Ce48 . O50 . 73.8(4) yes
Ce9 . Ce48 . Ce51 . 60.23(2) yes
Ce3 . Ce48 . Ce51 . 120.48(3) yes
O49 . Ce48 . Ce51 . 90.1(3) yes
O50 . Ce48 . Ce51 . 146.6(3) yes
Ce9 . Ce48 . O52 . 36.7(2) yes
Ce3 . Ce48 . O52 . 92.5(2) yes
O49 . Ce48 . O52 . 70.8(4) yes
O50 . Ce48 . O52 . 112.5(4) yes
Ce51 . Ce48 . O52 . 34.2(2) yes
Ce9 . Ce48 . O53 . 99.7(2) yes
Ce3 . Ce48 . O53 . 99.7(2) yes
O49 . Ce48 . O53 . 133.2(4) yes
O50 . Ce48 . O53 . 133.7(4) yes
Ce51 . Ce48 . O53 . 45.1(2) yes
Ce9 . Ce48 . Ce55 . 120.39(3) yes
Ce3 . Ce48 . Ce55 . 60.13(2) yes
O49 . Ce48 . Ce55 . 145.1(3) yes
O50 . Ce48 . Ce55 . 90.2(3) yes
Ce51 . Ce48 . Ce55 . 86.76(3) yes
Ce9 . Ce48 . O208 . 91.8(3) yes
Ce3 . Ce48 . O208 . 36.6(3) yes
O49 . Ce48 . O208 . 110.5(4) yes
O50 . Ce48 . O208 . 71.4(4) yes
Ce51 . Ce48 . O208 . 87.9(3) yes
Ce9 . Ce48 . O209 . 159.9(2) yes
Ce3 . Ce48 . O209 . 72.0(2) yes
O49 . Ce48 . O209 . 155.4(4) yes
O50 . Ce48 . O209 . 82.9(4) yes
Ce51 . Ce48 . O209 . 114.1(2) yes
Ce9 . Ce48 . C210 . 166.7(4) yes
Ce3 . Ce48 . C210 . 97.4(4) yes
O49 . Ce48 . C210 . 151.2(4) yes
O50 . Ce48 . C210 . 99.7(5) yes
Ce51 . Ce48 . C210 . 107.6(4) yes
Ce9 . Ce48 . O211 . 142.8(3) yes
Ce3 . Ce48 . O211 . 122.5(3) yes
O49 . Ce48 . O211 . 137.2(4) yes
O50 . Ce48 . O211 . 120.2(4) yes
Ce51 . Ce48 . O211 . 91.6(3) yes
Ce9 . Ce48 . O243 . 72.7(3) yes
Ce3 . Ce48 . O243 . 162.5(3) yes
O49 . Ce48 . O243 . 82.7(4) yes
O50 . Ce48 . O243 . 153.3(4) yes
Ce51 . Ce48 . O243 . 43.0(3) yes
Ce9 . Ce48 . O266 . 109.1(3) yes
Ce3 . Ce48 . O266 . 111.4(3) yes
O49 . Ce48 . O266 . 78.1(4) yes
O50 . Ce48 . O266 . 78.7(4) yes
Ce51 . Ce48 . O266 . 127.2(3) yes
O52 . Ce48 . O53 . 63.7(3) yes
O52 . Ce48 . Ce55 . 88.0(2) yes
O53 . Ce48 . Ce55 . 45.1(2) yes
O52 . Ce48 . O208 . 70.2(4) yes
O53 . Ce48 . O208 . 64.0(3) yes
Ce55 . Ce48 . O208 . 34.7(2) yes
O52 . Ce48 . O209 . 127.3(3) yes
O53 . Ce48 . O209 . 69.7(3) yes
Ce55 . Ce48 . O209 . 40.2(2) yes
O208 . Ce48 . O209 . 68.2(4) yes
O52 . Ce48 . C210 . 135.2(4) yes
O53 . Ce48 . C210 . 71.6(4) yes
Ce55 . Ce48 . C210 . 60.7(3) yes
O208 . Ce48 . C210 . 93.1(4) yes
O209 . Ce48 . C210 . 26.6(4) yes
O52 . Ce48 . O211 . 125.0(4) yes
O53 . Ce48 . O211 . 69.2(4) yes
Ce55 . Ce48 . O211 . 77.6(3) yes
O208 . Ce48 . O211 . 112.3(4) yes
O209 . Ce48 . O211 . 50.9(4) yes
O52 . Ce48 . O243 . 70.0(4) yes
O53 . Ce48 . O243 . 72.3(3) yes
Ce55 . Ce48 . O243 . 116.4(3) yes
O208 . Ce48 . O243 . 130.3(4) yes
O209 . Ce48 . O243 . 117.6(4) yes
O52 . Ce48 . O266 . 141.4(4) yes
O53 . Ce48 . O266 . 135.3(4) yes
Ce55 . Ce48 . O266 . 129.9(3) yes
O208 . Ce48 . O266 . 144.5(4) yes
O209 . Ce48 . O266 . 89.7(4) yes
C210 . Ce48 . O211 . 25.1(4) yes
C210 . Ce48 . O243 . 94.7(5) yes
O211 . Ce48 . O243 . 70.1(4) yes
C210 . Ce48 . O266 . 73.1(4) yes
O211 . Ce48 . O266 . 67.2(4) yes
O243 . Ce48 . O266 . 84.2(4) yes
Ce9 . O49 . Ce48 . 112.6(4) yes
Ce9 . O49 . Ce23 . 114.1(5) yes
Ce48 . O49 . Ce23 . 106.1(5) yes
Ce3 . O50 . Ce23 . 112.0(4) yes
Ce3 . O50 . Ce48 . 111.8(4) yes
Ce23 . O50 . Ce48 . 105.9(4) yes
Ce48 . Ce51 . Ce12 . 120.01(3) yes
Ce48 . Ce51 . Ce6 . 60.71(2) yes
Ce12 . Ce51 . Ce6 . 90.44(3) yes
Ce48 . Ce51 . O52 . 34.5(3) yes
Ce12 . Ce51 . O52 . 91.0(3) yes
Ce6 . Ce51 . O52 . 36.3(2) yes
Ce48 . Ce51 . O53 . 49.5(3) yes
Ce12 . Ce51 . O53 . 151.4(3) yes
Ce6 . Ce51 . O53 . 61.0(3) yes
O52 . Ce51 . O53 . 67.5(4) yes
Ce48 . Ce51 . Ce54 . 93.37(3) yes
Ce12 . Ce51 . Ce54 . 118.55(3) yes
Ce6 . Ce51 . Ce54 . 61.30(2) yes
O52 . Ce51 . Ce54 . 92.6(2) yes
O53 . Ce51 . Ce54 . 48.0(3) yes
Ce48 . Ce51 . O74 . 93.7(3) yes
Ce12 . Ce51 . O74 . 86.6(3) yes
Ce6 . Ce51 . O74 . 36.5(2) yes
O52 . Ce51 . O74 . 72.8(3) yes
O53 . Ce51 . O74 . 69.5(4) yes
Ce48 . Ce51 . O86 . 150.3(3) yes
Ce12 . Ce51 . O86 . 40.0(3) yes
Ce6 . Ce51 . O86 . 93.4(3) yes
O52 . Ce51 . O86 . 115.8(4) yes
O53 . Ce51 . O86 . 132.7(4) yes
Ce48 . Ce51 . O232 . 120.4(3) yes
Ce12 . Ce51 . O232 . 117.7(3) yes
Ce6 . Ce51 . O232 . 106.1(3) yes
O52 . Ce51 . O232 . 135.7(4) yes
O53 . Ce51 . O232 . 72.6(4) yes
Ce48 . Ce51 . O243 . 40.6(3) yes
Ce12 . Ce51 . O243 . 116.6(3) yes
Ce6 . Ce51 . O243 . 100.7(3) yes
O52 . Ce51 . O243 . 68.1(4) yes
O53 . Ce51 . O243 . 74.0(4) yes
Ce48 . Ce51 . C244 . 60.5(4) yes
Ce12 . Ce51 . C244 . 127.7(4) yes
Ce6 . Ce51 . C244 . 120.4(4) yes
O52 . Ce51 . C244 . 92.4(5) yes
O53 . Ce51 . C244 . 74.0(4) yes
Ce48 . Ce51 . O245 . 77.5(3) yes
Ce12 . Ce51 . O245 . 139.1(3) yes
Ce6 . Ce51 . O245 . 128.2(3) yes
O52 . Ce51 . O245 . 111.9(4) yes
O53 . Ce51 . O245 . 69.0(4) yes
Ce48 . Ce51 . O254 . 91.8(3) yes
Ce12 . Ce51 . O254 . 31.6(3) yes
Ce6 . Ce51 . O254 . 88.2(3) yes
O52 . Ce51 . O254 . 71.0(4) yes
O53 . Ce51 . O254 . 138.2(4) yes
Ce48 . Ce51 . O255 . 124.1(3) yes
Ce12 . Ce51 . O255 . 71.2(3) yes
Ce6 . Ce51 . O255 . 161.0(3) yes
O52 . Ce51 . O255 . 135.8(4) yes
O53 . Ce51 . O255 . 137.5(4) yes
Ce54 . Ce51 . O74 . 37.7(2) yes
Ce54 . Ce51 . O86 . 85.3(3) yes
O74 . Ce51 . O86 . 67.6(4) yes
Ce54 . Ce51 . O232 . 45.0(3) yes
O74 . Ce51 . O232 . 75.9(4) yes
O86 . Ce51 . O232 . 78.6(4) yes
Ce54 . Ce51 . O243 . 121.4(3) yes
O74 . Ce51 . O243 . 134.1(4) yes
O86 . Ce51 . O243 . 153.2(4) yes
O232 . Ce51 . O243 . 118.2(4) yes
Ce54 . Ce51 . C244 . 113.3(4) yes
O74 . Ce51 . C244 . 143.5(4) yes
O86 . Ce51 . C244 . 146.0(5) yes
O232 . Ce51 . C244 . 94.5(5) yes
O243 . Ce51 . C244 . 26.1(5) yes
Ce54 . Ce51 . O245 . 94.8(3) yes
O74 . Ce51 . O245 . 131.6(4) yes
O86 . Ce51 . O245 . 132.2(4) yes
O232 . Ce51 . O245 . 68.9(4) yes
O243 . Ce51 . O245 . 51.0(4) yes
Ce54 . Ce51 . O254 . 140.8(3) yes
O74 . Ce51 . O254 . 103.2(4) yes
O86 . Ce51 . O254 . 71.7(4) yes
O232 . Ce51 . O254 . 147.7(4) yes
O243 . Ce51 . O254 . 86.0(4) yes
Ce54 . Ce51 . O255 . 131.6(3) yes
O74 . Ce51 . O255 . 141.9(4) yes
O86 . Ce51 . O255 . 75.7(4) yes
O232 . Ce51 . O255 . 87.3(4) yes
O243 . Ce51 . O255 . 84.0(4) yes
C244 . Ce51 . O245 . 25.7(5) yes
C244 . Ce51 . O254 . 103.0(5) yes
O245 . Ce51 . O254 . 124.2(4) yes
C244 . Ce51 . O255 . 70.6(5) yes
O245 . Ce51 . O255 . 68.8(4) yes
O254 . Ce51 . O255 . 73.6(4) yes
Ce9 . O52 . Ce6 . 109.7(4) yes
Ce9 . O52 . Ce48 . 108.1(4) yes
Ce6 . O52 . Ce48 . 110.2(4) yes
Ce9 . O52 . Ce51 . 109.0(4) yes
Ce6 . O52 . Ce51 . 108.5(4) yes
Ce48 . O52 . Ce51 . 111.3(4) yes
Ce51 . O53 . Ce48 . 85.5(3) yes
Ce51 . O53 . Ce54 . 87.1(3) yes
Ce48 . O53 . Ce54 . 150.0(5) yes
Ce51 . O53 . Ce55 . 150.5(5) yes
Ce48 . O53 . Ce55 . 85.7(3) yes
Ce54 . O53 . Ce55 . 86.7(3) yes
Ce51 . Ce54 . O53 . 44.9(2) yes
Ce51 . Ce54 . Ce55 . 86.70(3) yes
O53 . Ce54 . Ce55 . 45.3(2) yes
Ce51 . Ce54 . Ce56 . 117.63(3) yes
O53 . Ce54 . Ce56 . 99.8(2) yes
Ce55 . Ce54 . Ce56 . 61.48(2) yes
Ce51 . Ce54 . O57 . 88.5(2) yes
O53 . Ce54 . O57 . 65.1(3) yes
Ce55 . Ce54 . O57 . 35.1(2) yes
Ce56 . Ce54 . O57 . 35.0(2) yes
Ce51 . Ce54 . O59 . 99.5(2) yes
O53 . Ce54 . O59 . 117.4(3) yes
Ce55 . Ce54 . O59 . 99.9(2) yes
Ce56 . Ce54 . O59 . 45.4(2) yes
O57 . Ce54 . O59 . 65.1(3) yes
Ce51 . Ce54 . Ce61 . 61.39(2) yes
O53 . Ce54 . Ce61 . 99.6(2) yes
Ce55 . Ce54 . Ce61 . 118.11(3) yes
Ce56 . Ce54 . Ce61 . 87.05(3) yes
O57 . Ce54 . Ce61 . 88.9(2) yes
Ce51 . Ce54 . O74 . 34.6(2) yes
O53 . Ce54 . O74 . 65.0(3) yes
Ce55 . Ce54 . O74 . 89.1(2) yes
Ce56 . Ce54 . O74 . 89.1(2) yes
O57 . Ce54 . O74 . 71.3(3) yes
Ce51 . Ce54 . O75 . 80.5(3) yes
O53 . Ce54 . O75 . 125.2(3) yes
Ce55 . Ce54 . O75 . 160.4(3) yes
Ce56 . Ce54 . O75 . 112.0(3) yes
O57 . Ce54 . O75 . 129.1(3) yes
Ce51 . Ce54 . O175 . 155.9(3) yes
O53 . Ce54 . O175 . 122.1(3) yes
Ce55 . Ce54 . O175 . 76.8(3) yes
Ce56 . Ce54 . O175 . 38.7(2) yes
O57 . Ce54 . O175 . 67.9(3) yes
Ce51 . Ce54 . C176 . 177.3(3) yes
O53 . Ce54 . C176 . 137.7(4) yes
Ce55 . Ce54 . C176 . 95.7(3) yes
Ce56 . Ce54 . C176 . 62.7(4) yes
O57 . Ce54 . C176 . 92.7(4) yes
Ce51 . Ce54 . O177 . 154.1(3) yes
O53 . Ce54 . O177 . 150.3(4) yes
Ce55 . Ce54 . O177 . 117.3(3) yes
Ce56 . Ce54 . O177 . 84.5(3) yes
O57 . Ce54 . O177 . 116.6(4) yes
Ce51 . Ce54 . O197 . 112.1(3) yes
O53 . Ce54 . O197 . 68.6(4) yes
Ce55 . Ce54 . O197 . 43.0(2) yes
Ce56 . Ce54 . O197 . 80.6(3) yes
O57 . Ce54 . O197 . 72.7(3) yes
Ce51 . Ce54 . O232 . 38.8(2) yes
O53 . Ce54 . O232 . 66.2(3) yes
Ce55 . Ce54 . O232 . 110.7(3) yes
Ce56 . Ce54 . O232 . 156.2(2) yes
O57 . Ce54 . O232 . 125.7(3) yes
Ce51 . Ce54 . C233 . 63.0(4) yes
O53 . Ce54 . C233 . 77.6(4) yes
Ce55 . Ce54 . C233 . 114.6(3) yes
Ce56 . Ce54 . C233 . 175.6(3) yes
O57 . Ce54 . C233 . 142.6(4) yes
Ce51 . Ce54 . O234 . 86.0(3) yes
O53 . Ce54 . O234 . 86.9(4) yes
Ce55 . Ce54 . O234 . 109.4(3) yes
Ce56 . Ce54 . O234 . 152.4(3) yes
O57 . Ce54 . O234 . 144.5(4) yes
O59 . Ce54 . Ce61 . 45.2(2) yes
O59 . Ce54 . O74 . 65.1(3) yes
Ce61 . Ce54 . O74 . 34.9(2) yes
O59 . Ce54 . O75 . 68.1(3) yes
Ce61 . Ce54 . O75 . 42.5(3) yes
O74 . Ce54 . O75 . 71.9(4) yes
O59 . Ce54 . O175 . 67.0(3) yes
Ce61 . Ce54 . O175 . 111.4(3) yes
O74 . Ce54 . O175 . 126.4(3) yes
O75 . Ce54 . O175 . 110.2(4) yes
O59 . Ce54 . C176 . 78.9(4) yes
Ce61 . Ce54 . C176 . 116.2(3) yes
O74 . Ce54 . C176 . 143.9(4) yes
O75 . Ce54 . C176 . 96.9(4) yes
O175 . Ce54 . C176 . 24.9(4) yes
O59 . Ce54 . O177 . 86.5(4) yes
Ce61 . Ce54 . O177 . 109.9(3) yes
O74 . Ce54 . O177 . 144.7(4) yes
O75 . Ce54 . O177 . 78.4(4) yes
O175 . Ce54 . O177 . 48.7(4) yes
O59 . Ce54 . O197 . 125.8(3) yes
Ce61 . Ce54 . O197 . 161.0(2) yes
O74 . Ce54 . O197 . 129.7(3) yes
O75 . Ce54 . O197 . 156.5(4) yes
O175 . Ce54 . O197 . 66.6(4) yes
O59 . Ce54 . O232 . 122.3(3) yes
Ce61 . Ce54 . O232 . 77.1(2) yes
O74 . Ce54 . O232 . 67.7(3) yes
O75 . Ce54 . O232 . 67.2(4) yes
O175 . Ce54 . O232 . 165.1(3) yes
O59 . Ce54 . C233 . 139.0(4) yes
Ce61 . Ce54 . C233 . 96.9(4) yes
O74 . Ce54 . C233 . 92.9(4) yes
O75 . Ce54 . C233 . 72.4(4) yes
O175 . Ce54 . C233 . 140.1(4) yes
O59 . Ce54 . O234 . 150.5(4) yes
Ce61 . Ce54 . O234 . 118.4(3) yes
O74 . Ce54 . O234 . 117.7(4) yes
O75 . Ce54 . O234 . 84.5(4) yes
O175 . Ce54 . O234 . 115.8(4) yes
C176 . Ce54 . O177 . 24.2(4) yes
C176 . Ce54 . O197 . 70.6(4) yes
O177 . Ce54 . O197 . 83.4(4) yes
C176 . Ce54 . O232 . 140.6(4) yes
O177 . Ce54 . O232 . 117.5(4) yes
O197 . Ce54 . O232 . 109.5(4) yes
C176 . Ce54 . C233 . 116.9(5) yes
O177 . Ce54 . C233 . 96.1(5) yes
O197 . Ce54 . C233 . 95.1(4) yes
O232 . Ce54 . C233 . 25.3(4) yes
C176 . Ce54 . O234 . 94.4(5) yes
O177 . Ce54 . O234 . 77.1(4) yes
O197 . Ce54 . O234 . 77.0(4) yes
O232 . Ce54 . O234 . 50.0(4) yes
C233 . Ce54 . O234 . 24.9(4) yes
O53 . Ce55 . Ce48 . 49.2(2) yes
O53 . Ce55 . Ce54 . 48.0(3) yes
Ce48 . Ce55 . Ce54 . 93.12(3) yes
O53 . Ce55 . Ce1 . 150.8(3) yes
Ce48 . Ce55 . Ce1 . 119.67(3) yes
Ce54 . Ce55 . Ce1 . 118.47(3) yes
O53 . Ce55 . Ce6 . 60.8(3) yes
Ce48 . Ce55 . Ce6 . 60.45(2) yes
Ce54 . Ce55 . Ce6 . 61.26(2) yes
Ce1 . Ce55 . Ce6 . 90.06(3) yes
O53 . Ce55 . O57 . 69.0(4) yes
Ce48 . Ce55 . O57 . 92.8(2) yes
Ce54 . Ce55 . O57 . 37.8(2) yes
Ce1 . Ce55 . O57 . 86.6(2) yes
Ce6 . Ce55 . O57 . 35.9(2) yes
O53 . Ce55 . O58 . 132.8(4) yes
Ce48 . Ce55 . O58 . 149.2(3) yes
Ce54 . Ce55 . O58 . 85.6(3) yes
Ce1 . Ce55 . O58 . 39.5(3) yes
Ce6 . Ce55 . O58 . 92.7(3) yes
O53 . Ce55 . O197 . 69.7(4) yes
Ce48 . Ce55 . O197 . 117.6(3) yes
Ce54 . Ce55 . O197 . 41.7(3) yes
Ce1 . Ce55 . O197 . 119.9(3) yes
Ce6 . Ce55 . O197 . 102.9(3) yes
O53 . Ce55 . C198 . 68.8(4) yes
Ce48 . Ce55 . C198 . 107.3(3) yes
Ce54 . Ce55 . C198 . 61.2(4) yes
Ce1 . Ce55 . C198 . 132.6(3) yes
Ce6 . Ce55 . C198 . 119.9(4) yes
O53 . Ce55 . O199 . 67.5(4) yes
Ce48 . Ce55 . O199 . 91.0(3) yes
Ce54 . Ce55 . O199 . 79.7(3) yes
Ce1 . Ce55 . O199 . 141.0(3) yes
Ce6 . Ce55 . O199 . 127.8(3) yes
O53 . Ce55 . O208 . 67.2(4) yes
Ce48 . Ce55 . O208 . 34.5(2) yes
Ce54 . Ce55 . O208 . 92.3(3) yes
Ce1 . Ce55 . O208 . 90.6(3) yes
Ce6 . Ce55 . O208 . 36.0(2) yes
O53 . Ce55 . O209 . 75.4(4) yes
Ce48 . Ce55 . O209 . 43.7(3) yes
Ce54 . Ce55 . O209 . 122.5(3) yes
Ce1 . Ce55 . O209 . 116.4(3) yes
Ce6 . Ce55 . O209 . 103.6(3) yes
O53 . Ce55 . O220 . 137.0(4) yes
Ce48 . Ce55 . O220 . 91.1(3) yes
Ce54 . Ce55 . O220 . 140.4(3) yes
Ce1 . Ce55 . O220 . 32.0(3) yes
Ce6 . Ce55 . O220 . 87.4(2) yes
O53 . Ce55 . O221 . 137.1(4) yes
Ce48 . Ce55 . O221 . 128.2(3) yes
Ce54 . Ce55 . O221 . 127.3(3) yes
Ce1 . Ce55 . O221 . 72.1(3) yes
Ce6 . Ce55 . O221 . 162.2(3) yes
O57 . Ce55 . O58 . 67.7(4) yes
O57 . Ce55 . O197 . 73.9(3) yes
O58 . Ce55 . O197 . 80.9(4) yes
O57 . Ce55 . C198 . 97.4(4) yes
O58 . Ce55 . C198 . 99.0(4) yes
O197 . Ce55 . C198 . 25.5(4) yes
O57 . Ce55 . O199 . 117.5(4) yes
O58 . Ce55 . O199 . 118.8(4) yes
O197 . Ce55 . O199 . 50.0(4) yes
C198 . Ce55 . O199 . 24.8(4) yes
O57 . Ce55 . O208 . 71.8(3) yes
O58 . Ce55 . O208 . 114.7(4) yes
O197 . Ce55 . O208 . 132.0(4) yes
C198 . Ce55 . O208 . 135.6(4) yes
O199 . Ce55 . O208 . 124.8(4) yes
O57 . Ce55 . O209 . 136.1(4) yes
O58 . Ce55 . O209 . 151.8(4) yes
O197 . Ce55 . O209 . 116.7(4) yes
C198 . Ce55 . O209 . 92.8(4) yes
O199 . Ce55 . O209 . 68.3(4) yes
O57 . Ce55 . O220 . 102.7(3) yes
O58 . Ce55 . O220 . 71.5(4) yes
O197 . Ce55 . O220 . 151.0(4) yes
C198 . Ce55 . O220 . 151.9(4) yes
O199 . Ce55 . O220 . 139.5(4) yes
O57 . Ce55 . O221 . 138.9(4) yes
O58 . Ce55 . O221 . 73.8(4) yes
O197 . Ce55 . O221 . 86.7(4) yes
C198 . Ce55 . O221 . 74.6(5) yes
O199 . Ce55 . O221 . 69.8(4) yes
O208 . Ce55 . O209 . 71.2(4) yes
O208 . Ce55 . O220 . 70.2(4) yes
O209 . Ce55 . O220 . 86.1(4) yes
O208 . Ce55 . O221 . 140.5(4) yes
O209 . Ce55 . O221 . 84.9(4) yes
O220 . Ce55 . O221 . 77.4(4) yes
Ce54 . Ce56 . Ce1 . 117.83(3) yes
Ce54 . Ce56 . Ce6 . 61.12(2) yes
Ce1 . Ce56 . Ce6 . 90.02(3) yes
Ce54 . Ce56 . O57 . 37.5(3) yes
Ce1 . Ce56 . O57 . 86.3(3) yes
Ce6 . Ce56 . O57 . 36.1(2) yes
Ce54 . Ce56 . O58 . 85.6(3) yes
Ce1 . Ce56 . O58 . 39.2(3) yes
Ce6 . Ce56 . O58 . 93.4(3) yes
O57 . Ce56 . O58 . 68.2(4) yes
Ce54 . Ce56 . O59 . 48.4(2) yes
Ce1 . Ce56 . O59 . 150.6(2) yes
Ce6 . Ce56 . O59 . 60.7(2) yes
O57 . Ce56 . O59 . 69.1(3) yes
O58 . Ce56 . O59 . 133.3(4) yes
Ce54 . Ce56 . Ce60 . 92.34(3) yes
Ce1 . Ce56 . Ce60 . 121.19(3) yes
Ce6 . Ce56 . Ce60 . 60.63(2) yes
O57 . Ce56 . Ce60 . 92.7(2) yes
O58 . Ce56 . Ce60 . 150.6(3) yes
Ce54 . Ce56 . O99 . 92.2(3) yes
Ce1 . Ce56 . O99 . 91.2(3) yes
Ce6 . Ce56 . O99 . 36.2(3) yes
O57 . Ce56 . O99 . 72.2(3) yes
O58 . Ce56 . O99 . 115.8(4) yes
Ce54 . Ce56 . O100 . 120.6(3) yes
Ce1 . Ce56 . O100 . 118.4(2) yes
Ce6 . Ce56 . O100 . 101.5(2) yes
O57 . Ce56 . O100 . 133.9(3) yes
O58 . Ce56 . O100 . 153.6(4) yes
Ce54 . Ce56 . C101 . 111.7(3) yes
Ce1 . Ce56 . C101 . 129.9(3) yes
Ce6 . Ce56 . C101 . 121.2(3) yes
O57 . Ce56 . C101 . 142.3(4) yes
O58 . Ce56 . C101 . 145.4(4) yes
Ce54 . Ce56 . O102 . 93.0(3) yes
Ce1 . Ce56 . O102 . 141.0(3) yes
Ce6 . Ce56 . O102 . 127.4(3) yes
O57 . Ce56 . O102 . 129.6(4) yes
O58 . Ce56 . O102 . 132.0(4) yes
Ce54 . Ce56 . O175 . 45.0(3) yes
Ce1 . Ce56 . O175 . 116.9(3) yes
Ce6 . Ce56 . O175 . 105.9(3) yes
O57 . Ce56 . O175 . 75.7(4) yes
O58 . Ce56 . O175 . 78.4(4) yes
Ce54 . Ce56 . O185 . 140.2(3) yes
Ce1 . Ce56 . O185 . 32.7(2) yes
Ce6 . Ce56 . O185 . 87.2(3) yes
O57 . Ce56 . O185 . 102.8(4) yes
O58 . Ce56 . O185 . 72.0(4) yes
Ce54 . Ce56 . O186 . 131.1(3) yes
Ce1 . Ce56 . O186 . 72.5(3) yes
Ce6 . Ce56 . O186 . 161.9(3) yes
O57 . Ce56 . O186 . 142.6(4) yes
O58 . Ce56 . O186 . 76.1(4) yes
O59 . Ce56 . Ce60 . 47.8(2) yes
O59 . Ce56 . O99 . 66.7(4) yes
Ce60 . Ce56 . O99 . 34.9(3) yes
O59 . Ce56 . O100 . 73.0(3) yes
Ce60 . Ce56 . O100 . 41.5(2) yes
O99 . Ce56 . O100 . 69.2(3) yes
O59 . Ce56 . C101 . 73.2(4) yes
Ce60 . Ce56 . C101 . 61.7(4) yes
O99 . Ce56 . C101 . 94.1(5) yes
O100 . Ce56 . C101 . 26.8(4) yes
O59 . Ce56 . O102 . 68.0(3) yes
Ce60 . Ce56 . O102 . 77.3(2) yes
O99 . Ce56 . O102 . 112.2(4) yes
O100 . Ce56 . O102 . 50.9(3) yes
C101 . Ce56 . O102 . 25.0(4) yes
O59 . Ce56 . O175 . 73.5(4) yes
Ce60 . Ce56 . O175 . 119.7(3) yes
O99 . Ce56 . O175 . 135.5(4) yes
O100 . Ce56 . O175 . 117.3(4) yes
C101 . Ce56 . O175 . 92.8(5) yes
O59 . Ce56 . O185 . 136.5(3) yes
Ce60 . Ce56 . O185 . 92.0(2) yes
O99 . Ce56 . O185 . 70.2(4) yes
O100 . Ce56 . O185 . 87.0(3) yes
C101 . Ce56 . O185 . 105.1(4) yes
O59 . Ce56 . O186 . 136.8(4) yes
Ce60 . Ce56 . O186 . 124.6(3) yes
O99 . Ce56 . O186 . 136.7(4) yes
O100 . Ce56 . O186 . 83.5(4) yes
C101 . Ce56 . O186 . 69.9(4) yes
O102 . Ce56 . O175 . 67.8(4) yes
O102 . Ce56 . O185 . 126.5(4) yes
O175 . Ce56 . O185 . 148.3(4) yes
O102 . Ce56 . O186 . 69.1(4) yes
O175 . Ce56 . O186 . 86.6(4) yes
O185 . Ce56 . O186 . 75.6(4) yes
Ce54 . O57 . Ce6 . 107.6(4) yes
Ce54 . O57 . Ce56 . 107.6(4) yes
Ce6 . O57 . Ce56 . 108.7(4) yes
Ce54 . O57 . Ce55 . 107.1(3) yes
Ce6 . O57 . Ce55 . 109.1(4) yes
Ce56 . O57 . Ce55 . 116.4(4) yes
Ce1 . O58 . Ce55 . 101.1(4) yes
Ce1 . O58 . Ce56 . 102.4(4) yes
Ce55 . O58 . Ce56 . 106.9(4) yes
Ce1 . O58 . H581 . 110.6 no
Ce55 . O58 . H581 . 114.4 no
Ce56 . O58 . H581 . 119.3 no
Ce56 . O59 . Ce54 . 86.3(3) yes
Ce56 . O59 . Ce60 . 86.2(3) yes
Ce54 . O59 . Ce60 . 150.5(4) yes
Ce56 . O59 . Ce61 . 150.5(4) yes
Ce54 . O59 . Ce61 . 86.2(3) yes
Ce60 . O59 . Ce61 . 86.5(3) yes
Ce4 . Ce60 . O59 . 100.0(2) yes
Ce4 . Ce60 . Ce10 . 93.40(3) yes
O59 . Ce60 . Ce10 . 100.1(2) yes
Ce4 . Ce60 . Ce56 . 59.70(2) yes
O59 . Ce60 . Ce56 . 46.0(2) yes
Ce10 . Ce60 . Ce56 . 120.68(3) yes
Ce4 . Ce60 . Ce61 . 120.63(3) yes
O59 . Ce60 . Ce61 . 45.6(2) yes
Ce10 . Ce60 . Ce61 . 60.12(2) yes
Ce56 . Ce60 . Ce61 . 88.01(3) yes
Ce4 . Ce60 . O62 . 91.7(2) yes
O59 . Ce60 . O62 . 65.1(3) yes
Ce10 . Ce60 . O62 . 35.9(2) yes
Ce56 . Ce60 . O62 . 89.2(2) yes
Ce61 . Ce60 . O62 . 35.1(2) yes
Ce4 . Ce60 . O63 . 159.4(2) yes
O59 . Ce60 . O63 . 71.8(3) yes
Ce10 . Ce60 . O63 . 70.3(2) yes
Ce56 . Ce60 . O63 . 117.2(2) yes
Ce61 . Ce60 . O63 . 40.5(2) yes
Ce4 . Ce60 . C64 . 169.0(3) yes
O59 . Ce60 . C64 . 73.0(4) yes
Ce10 . Ce60 . C64 . 96.1(4) yes
Ce56 . Ce60 . C64 . 110.4(3) yes
Ce61 . Ce60 . C64 . 60.6(4) yes
Ce4 . Ce60 . O65 . 144.5(3) yes
O59 . Ce60 . O65 . 69.1(3) yes
Ce10 . Ce60 . O65 . 121.3(3) yes
Ce56 . Ce60 . O65 . 93.2(3) yes
Ce61 . Ce60 . O65 . 76.7(3) yes
Ce4 . Ce60 . O99 . 35.8(3) yes
O59 . Ce60 . O99 . 65.0(3) yes
Ce10 . Ce60 . O99 . 91.9(3) yes
Ce56 . Ce60 . O99 . 34.8(2) yes
Ce61 . Ce60 . O99 . 89.1(3) yes
Ce4 . Ce60 . O100 . 72.6(2) yes
O59 . Ce60 . O100 . 72.6(3) yes
Ce10 . Ce60 . O100 . 162.3(2) yes
Ce56 . Ce60 . O100 . 42.9(2) yes
Ce61 . Ce60 . O100 . 117.4(2) yes
Ce4 . Ce60 . O112 . 93.1(3) yes
O59 . Ce60 . O112 . 133.4(4) yes
Ce10 . Ce60 . O112 . 34.2(3) yes
Ce56 . Ce60 . O112 . 145.8(3) yes
Ce61 . Ce60 . O112 . 89.5(3) yes
Ce4 . Ce60 . O113 . 33.9(2) yes
O59 . Ce60 . O113 . 133.3(3) yes
Ce10 . Ce60 . O113 . 91.9(3) yes
Ce56 . Ce60 . O113 . 89.4(3) yes
Ce61 . Ce60 . O113 . 144.9(3) yes
Ce4 . Ce60 . O166 . 108.7(3) yes
O59 . Ce60 . O166 . 135.2(3) yes
Ce10 . Ce60 . O166 . 111.5(3) yes
Ce56 . Ce60 . O166 . 126.6(3) yes
Ce61 . Ce60 . O166 . 129.9(3) yes
O62 . Ce60 . O63 . 67.7(3) yes
O62 . Ce60 . C64 . 92.8(4) yes
O63 . Ce60 . C64 . 26.9(4) yes
O62 . Ce60 . O65 . 111.7(4) yes
O63 . Ce60 . O65 . 51.3(4) yes
C64 . Ce60 . O65 . 25.3(4) yes
O62 . Ce60 . O99 . 70.8(4) yes
O63 . Ce60 . O99 . 129.3(3) yes
C64 . Ce60 . O99 . 138.1(4) yes
O65 . Ce60 . O99 . 127.1(4) yes
O62 . Ce60 . O100 . 131.4(3) yes
O63 . Ce60 . O100 . 120.4(3) yes
C64 . Ce60 . O100 . 96.9(4) yes
O65 . Ce60 . O100 . 71.9(4) yes
O99 . Ce60 . O100 . 70.4(3) yes
O62 . Ce60 . O112 . 70.1(4) yes
O63 . Ce60 . O112 . 80.5(4) yes
C64 . Ce60 . O112 . 97.9(4) yes
O65 . Ce60 . O112 . 119.3(4) yes
O99 . Ce60 . O112 . 111.1(4) yes
O62 . Ce60 . O113 . 109.8(4) yes
O63 . Ce60 . O113 . 152.8(3) yes
C64 . Ce60 . O113 . 150.4(4) yes
O65 . Ce60 . O113 . 138.4(4) yes
O99 . Ce60 . O113 . 69.7(4) yes
O62 . Ce60 . O166 . 144.0(4) yes
O63 . Ce60 . O166 . 89.4(3) yes
C64 . Ce60 . O166 . 72.7(4) yes
O65 . Ce60 . O166 . 67.5(4) yes
O99 . Ce60 . O166 . 140.5(4) yes
O100 . Ce60 . O112 . 153.1(4) yes
O100 . Ce60 . O113 . 82.5(4) yes
O112 . Ce60 . O113 . 73.6(4) yes
O100 . Ce60 . O166 . 83.8(4) yes
O112 . Ce60 . O166 . 79.3(4) yes
O113 . Ce60 . O166 . 77.9(4) yes
O59 . Ce61 . Ce54 . 48.6(2) yes
O59 . Ce61 . Ce12 . 150.5(2) yes
Ce54 . Ce61 . Ce12 . 118.07(3) yes
O59 . Ce61 . Ce6 . 60.6(2) yes
Ce54 . Ce61 . Ce6 . 61.15(2) yes
Ce12 . Ce61 . Ce6 . 89.93(3) yes
O59 . Ce61 . Ce60 . 47.9(3) yes
Ce54 . Ce61 . Ce60 . 92.58(3) yes
Ce12 . Ce61 . Ce60 . 120.54(3) yes
Ce6 . Ce61 . Ce60 . 60.56(2) yes
O59 . Ce61 . O62 . 67.0(3) yes
Ce54 . Ce61 . O62 . 92.4(2) yes
Ce12 . Ce61 . O62 . 90.3(2) yes
Ce6 . Ce61 . O62 . 36.0(2) yes
Ce60 . Ce61 . O62 . 35.2(2) yes
O59 . Ce61 . O63 . 76.2(4) yes
Ce54 . Ce61 . O63 . 123.9(3) yes
Ce12 . Ce61 . O63 . 115.2(3) yes
Ce6 . Ce61 . O63 . 103.6(3) yes
Ce60 . Ce61 . O63 . 44.0(3) yes
O59 . Ce61 . O74 . 69.7(3) yes
Ce54 . Ce61 . O74 . 37.7(2) yes
Ce12 . Ce61 . O74 . 86.0(2) yes
Ce6 . Ce61 . O74 . 36.3(2) yes
Ce60 . Ce61 . O74 . 93.1(3) yes
O59 . Ce61 . O75 . 70.1(4) yes
Ce54 . Ce61 . O75 . 41.8(3) yes
Ce12 . Ce61 . O75 . 119.9(2) yes
Ce6 . Ce61 . O75 . 102.9(3) yes
Ce60 . Ce61 . O75 . 116.7(3) yes
O59 . Ce61 . C76 . 69.7(4) yes
Ce54 . Ce61 . C76 . 62.3(4) yes
Ce12 . Ce61 . C76 . 132.4(3) yes
Ce6 . Ce61 . C76 . 120.7(4) yes
Ce60 . Ce61 . C76 . 106.7(3) yes
O59 . Ce61 . O77 . 68.3(3) yes
Ce54 . Ce61 . O77 . 80.5(3) yes
Ce12 . Ce61 . O77 . 140.6(3) yes
Ce6 . Ce61 . O77 . 128.4(3) yes
Ce60 . Ce61 . O77 . 90.5(3) yes
O59 . Ce61 . O86 . 132.5(4) yes
Ce54 . Ce61 . O86 . 84.7(3) yes
Ce12 . Ce61 . O86 . 39.9(3) yes
Ce6 . Ce61 . O86 . 92.3(3) yes
Ce60 . Ce61 . O86 . 149.6(3) yes
O59 . Ce61 . O87 . 136.6(4) yes
Ce54 . Ce61 . O87 . 139.2(3) yes
Ce12 . Ce61 . O87 . 31.4(3) yes
Ce6 . Ce61 . O87 . 86.8(3) yes
Ce60 . Ce61 . O87 . 92.3(3) yes
O59 . Ce61 . O88 . 138.3(4) yes
Ce54 . Ce61 . O88 . 127.6(3) yes
Ce12 . Ce61 . O88 . 71.2(3) yes
Ce6 . Ce61 . O88 . 161.1(3) yes
Ce60 . Ce61 . O88 . 129.0(3) yes
O62 . Ce61 . O63 . 70.9(3) yes
O62 . Ce61 . O74 . 72.3(3) yes
O63 . Ce61 . O74 . 137.1(4) yes
O62 . Ce61 . O75 . 132.1(4) yes
O63 . Ce61 . O75 . 117.9(3) yes
O74 . Ce61 . O75 . 73.8(4) yes
O62 . Ce61 . C76 . 136.3(4) yes
O63 . Ce61 . C76 . 93.5(4) yes
O74 . Ce61 . C76 . 98.2(5) yes
O75 . Ce61 . C76 . 26.2(5) yes
O62 . Ce61 . O77 . 125.3(4) yes
O63 . Ce61 . O77 . 69.2(4) yes
O74 . Ce61 . O77 . 118.2(4) yes
O75 . Ce61 . O77 . 50.4(4) yes
C76 . Ce61 . O77 . 24.5(4) yes
O62 . Ce61 . O86 . 114.5(3) yes
O63 . Ce61 . O86 . 151.3(4) yes
O74 . Ce61 . O86 . 66.6(4) yes
O75 . Ce61 . O86 . 80.6(4) yes
C76 . Ce61 . O86 . 98.8(4) yes
O62 . Ce61 . O87 . 69.8(4) yes
O63 . Ce61 . O87 . 85.7(4) yes
O74 . Ce61 . O87 . 101.5(4) yes
O75 . Ce61 . O87 . 150.6(4) yes
C76 . Ce61 . O87 . 151.7(5) yes
O62 . Ce61 . O88 . 140.1(4) yes
O63 . Ce61 . O88 . 85.2(4) yes
O74 . Ce61 . O88 . 137.8(4) yes
O75 . Ce61 . O88 . 87.1(4) yes
C76 . Ce61 . O88 . 74.6(5) yes
O77 . Ce61 . O86 . 118.7(4) yes
O77 . Ce61 . O87 . 139.9(4) yes
O86 . Ce61 . O87 . 71.3(4) yes
O77 . Ce61 . O88 . 70.3(4) yes
O86 . Ce61 . O88 . 73.4(4) yes
O87 . Ce61 . O88 . 77.1(4) yes
Ce10 . O62 . Ce6 . 111.0(4) yes
Ce10 . O62 . Ce60 . 108.9(4) yes
Ce6 . O62 . Ce60 . 109.7(4) yes
Ce10 . O62 . Ce61 . 109.0(4) yes
Ce6 . O62 . Ce61 . 108.6(4) yes
Ce60 . O62 . Ce61 . 109.6(4) yes
Ce60 . O63 . Ce61 . 95.5(4) yes
Ce60 . O63 . C64 . 87.4(9) yes
Ce61 . O63 . C64 . 129.9(10) yes
Ce60 . C64 . O63 . 65.7(9) yes
Ce60 . C64 . O65 . 63.2(9) yes
O63 . C64 . O65 . 125.3(15) yes
Ce60 . C64 . C66 . 153.7(11) yes
O63 . C64 . C66 . 113.2(14) yes
O65 . C64 . C66 . 121.1(16) yes
Ce60 . O65 . C64 . 91.6(10) yes
C64 . C66 . C67 . 121.1(16) yes
C64 . C66 . C73 . 125.2(18) yes
C67 . C66 . C73 . 113.6(17) yes
C66 . C67 . C68 . 125.4(17) yes
C66 . C67 . H671 . 117.3 no
C68 . C67 . H671 . 117.2 no
C67 . C68 . C69 . 119.8(16) yes
C67 . C68 . H681 . 118.8 no
C69 . C68 . H681 . 121.2 no
C68 . C69 . O70 . 127.1(17) yes
C68 . C69 . C72 . 116.4(17) yes
O70 . C69 . C72 . 116.5(18) yes
C69 . O70 . C71 . 115.8(16) yes
O70 . C71 . H711 . 108.0 no
O70 . C71 . H712 . 109.7 no
H711 . C71 . H712 . 108.4 no
O70 . C71 . H713 . 114.1 no
H711 . C71 . H713 . 108.3 no
H712 . C71 . H713 . 108.1 no
C69 . C72 . C73 . 121.9(19) yes
C69 . C72 . H721 . 116.4 no
C73 . C72 . H721 . 121.7 no
C66 . C73 . C72 . 122.9(19) yes
C66 . C73 . H731 . 118.6 no
C72 . C73 . H731 . 118.5 no
Ce54 . O74 . Ce6 . 106.8(4) yes
Ce54 . O74 . Ce61 . 107.3(4) yes
Ce6 . O74 . Ce61 . 108.8(4) yes
Ce54 . O74 . Ce51 . 107.7(4) yes
Ce6 . O74 . Ce51 . 108.6(4) yes
Ce61 . O74 . Ce51 . 117.2(4) yes
Ce61 . O75 . Ce54 . 95.7(4) yes
Ce61 . O75 . C76 . 93.9(11) yes
Ce54 . O75 . C76 . 132.8(11) yes
O75 . C76 . Ce61 . 59.9(9) yes
O75 . C76 . O77 . 120.3(15) yes
Ce61 . C76 . O77 . 61.6(9) yes
O75 . C76 . C78 . 118.3(17) yes
Ce61 . C76 . C78 . 166.0(13) yes
O77 . C76 . C78 . 121.3(17) yes
Ce61 . O77 . C76 . 93.8(10) yes
C76 . C78 . C79 . 120.6(17) yes
C76 . C78 . C85 . 121.5(18) yes
C79 . C78 . C85 . 117.7(17) yes
C78 . C79 . C80 . 122(2) yes
C78 . C79 . H791 . 120.9 no
C80 . C79 . H791 . 116.7 no
C79 . C80 . C81 . 118(2) yes
C79 . C80 . H801 . 123.4 no
C81 . C80 . H801 . 118.4 no
C80 . C81 . O82 . 125(3) yes
C80 . C81 . C84 . 122(2) yes
O82 . C81 . C84 . 113(3) yes
C81 . O82 . C83 . 111(3) yes
O82 . C83 . H831 . 97.3 no
O82 . C83 . H832 . 92.0 no
H831 . C83 . H832 . 117.7 no
O82 . C83 . H833 . 111.6 no
H831 . C83 . H833 . 116.5 no
H832 . C83 . H833 . 116.3 no
C81 . C84 . C85 . 118(2) yes
C81 . C84 . H841 . 120.3 no
C85 . C84 . H841 . 121.3 no
C84 . C85 . C78 . 121(2) yes
C84 . C85 . H851 . 116.9 no
C78 . C85 . H851 . 121.7 no
Ce12 . O86 . Ce61 . 101.2(4) yes
Ce12 . O86 . Ce51 . 101.9(4) yes
Ce61 . O86 . Ce51 . 107.8(4) yes
Ce12 . O86 . H861 . 110.9 no
Ce61 . O86 . H861 . 115.6 no
Ce51 . O86 . H861 . 117.5 no
Ce10 . O87 . Ce61 . 112.6(5) yes
Ce10 . O87 . Ce12 . 114.3(5) yes
Ce61 . O87 . Ce12 . 117.0(5) yes
Ce61 . O88 . C89 . 141.4(11) yes
O88 . C89 . O90 . 122.2(17) yes
O88 . C89 . C91 . 115.9(16) yes
O90 . C89 . C91 . 121.9(17) yes
Ce12 . O90 . C89 . 133.3(12) yes
C89 . C91 . C92 . 120.0(17) yes
C89 . C91 . C98 . 123.6(18) yes
C92 . C91 . C98 . 116.5(16) yes
C91 . C92 . C93 . 122.2(19) yes
C91 . C92 . H921 . 117.4 no
C93 . C92 . H921 . 120.3 no
C92 . C93 . C94 . 119(2) yes
C92 . C93 . H931 . 120.0 no
C94 . C93 . H931 . 121.2 no
C93 . C94 . O95 . 123(2) yes
C93 . C94 . C97 . 121.1(19) yes
O95 . C94 . C97 . 115.5(19) yes
C94 . O95 . C96 . 115.9(18) yes
O95 . C96 . H961 . 105.4 no
O95 . C96 . H962 . 118.8 no
H961 . C96 . H962 . 110.7 no
O95 . C96 . H963 . 109.3 no
H961 . C96 . H963 . 102.2 no
H962 . C96 . H963 . 109.1 no
C94 . C97 . C98 . 117.8(18) yes
C94 . C97 . H971 . 122.5 no
C98 . C97 . H971 . 119.7 no
C91 . C98 . C97 . 123.5(18) yes
C91 . C98 . H981 . 117.4 no
C97 . C98 . H981 . 118.8 no
Ce4 . O99 . Ce6 . 110.2(4) yes
Ce4 . O99 . Ce60 . 109.8(4) yes
Ce6 . O99 . Ce60 . 109.9(5) yes
Ce4 . O99 . Ce56 . 108.1(5) yes
Ce6 . O99 . Ce56 . 108.5(4) yes
Ce60 . O99 . Ce56 . 110.3(4) yes
Ce56 . O100 . Ce60 . 95.6(4) yes
Ce56 . O100 . C101 . 91.2(10) yes
Ce60 . O100 . C101 . 130.2(10) yes
Ce56 . C101 . O100 . 62.0(9) yes
Ce56 . C101 . O102 . 61.7(9) yes
O100 . C101 . O102 . 120.3(16) yes
Ce56 . C101 . C103 . 162.0(11) yes
O100 . C101 . C103 . 117.6(16) yes
O102 . C101 . C103 . 122.1(17) yes
Ce56 . O102 . C101 . 93.3(10) yes
C101 . C103 . C104 . 122.6(17) yes
C101 . C103 . C110 . 119.5(15) yes
C104 . C103 . C110 . 117.2(16) yes
C103 . C104 . C105 . 121.9(17) yes
C103 . C104 . H1041 . 121.3 no
C105 . C104 . H1041 . 116.8 no
C104 . C105 . C106 . 117.8(18) yes
C104 . C105 . H1051 . 121.8 no
C106 . C105 . H1051 . 120.3 no
C105 . C106 . O107 . 124(2) yes
C105 . C106 . C109 . 122.5(18) yes
O107 . C106 . C109 . 113.6(19) yes
C106 . O107 . C108 . 117.5(17) yes
O107 . C108 . H1081 . 109.4 no
O107 . C108 . H1082 . 104.2 no
H1081 . C108 . H1082 . 110.8 no
O107 . C108 . H1083 . 107.8 no
H1081 . C108 . H1083 . 114.5 no
H1082 . C108 . H1083 . 109.6 no
C106 . C109 . C110 . 118.7(19) yes
C106 . C109 . H1091 . 119.0 no
C110 . C109 . H1091 . 122.2 no
C103 . C110 . C109 . 121.7(19) yes
C103 . C110 . H1101 . 117.6 no
C109 . C110 . H1101 . 120.6 no
Ce10 . Ce111 . Ce4 . 93.59(3) yes
Ce10 . Ce111 . Ce15 . 60.17(2) yes
Ce4 . Ce111 . Ce15 . 120.47(3) yes
Ce10 . Ce111 . O112 . 34.0(3) yes
Ce4 . Ce111 . O112 . 93.5(3) yes
Ce15 . Ce111 . O112 . 89.3(3) yes
Ce10 . Ce111 . O113 . 92.1(3) yes
Ce4 . Ce111 . O113 . 34.2(3) yes
Ce15 . Ce111 . O113 . 145.0(3) yes
O112 . Ce111 . O113 . 74.0(4) yes
Ce10 . Ce111 . Ce114 . 120.77(3) yes
Ce4 . Ce111 . Ce114 . 59.75(2) yes
Ce15 . Ce111 . Ce114 . 87.71(3) yes
O112 . Ce111 . Ce114 . 146.1(3) yes
O113 . Ce111 . Ce114 . 89.7(3) yes
Ce10 . Ce111 . O115 . 100.3(3) yes
Ce4 . Ce111 . O115 . 100.1(2) yes
Ce15 . Ce111 . O115 . 45.6(3) yes
O112 . Ce111 . O115 . 133.4(4) yes
O113 . Ce111 . O115 . 133.7(4) yes
Ce10 . Ce111 . O116 . 91.8(3) yes
Ce4 . Ce111 . O116 . 36.3(3) yes
Ce15 . Ce111 . O116 . 88.4(3) yes
O112 . Ce111 . O116 . 111.3(4) yes
O113 . Ce111 . O116 . 70.4(4) yes
Ce10 . Ce111 . O117 . 160.1(3) yes
Ce4 . Ce111 . O117 . 71.5(3) yes
Ce15 . Ce111 . O117 . 115.6(2) yes
O112 . Ce111 . O117 . 154.9(4) yes
O113 . Ce111 . O117 . 82.8(4) yes
Ce10 . Ce111 . C118 . 168.0(4) yes
Ce4 . Ce111 . C118 . 96.5(4) yes
Ce15 . Ce111 . C118 . 108.8(3) yes
O112 . Ce111 . C118 . 150.7(4) yes
O113 . Ce111 . C118 . 100.0(5) yes
Ce10 . Ce111 . O119 . 143.4(3) yes
Ce4 . Ce111 . O119 . 122.0(3) yes
Ce15 . Ce111 . O119 . 91.7(3) yes
O112 . Ce111 . O119 . 137.0(4) yes
O113 . Ce111 . O119 . 121.6(4) yes
Ce10 . Ce111 . O152 . 36.1(2) yes
Ce4 . Ce111 . O152 . 92.2(2) yes
Ce15 . Ce111 . O152 . 34.6(2) yes
O112 . Ce111 . O152 . 70.1(4) yes
O113 . Ce111 . O152 . 110.5(4) yes
Ce10 . Ce111 . O153 . 73.3(3) yes
Ce4 . Ce111 . O153 . 162.3(3) yes
Ce15 . Ce111 . O153 . 42.7(3) yes
O112 . Ce111 . O153 . 82.2(4) yes
O113 . Ce111 . O153 . 153.8(4) yes
Ce10 . Ce111 . O164 . 109.8(3) yes
Ce4 . Ce111 . O164 . 111.0(3) yes
Ce15 . Ce111 . O164 . 127.6(3) yes
O112 . Ce111 . O164 . 78.3(4) yes
O113 . Ce111 . O164 . 79.6(4) yes
Ce114 . Ce111 . O115 . 45.9(2) yes
Ce114 . Ce111 . O116 . 34.8(3) yes
O115 . Ce111 . O116 . 64.8(3) yes
Ce114 . Ce111 . O117 . 40.4(2) yes
O115 . Ce111 . O117 . 70.6(4) yes
O116 . Ce111 . O117 . 68.4(4) yes
Ce114 . Ce111 . C118 . 60.1(4) yes
O115 . Ce111 . C118 . 71.5(4) yes
O116 . Ce111 . C118 . 92.6(5) yes
O117 . Ce111 . C118 . 26.0(4) yes
Ce114 . Ce111 . O119 . 76.9(3) yes
O115 . Ce111 . O119 . 67.9(4) yes
O116 . Ce111 . O119 . 111.6(4) yes
O117 . Ce111 . O119 . 50.8(4) yes
C118 . Ce111 . O119 . 25.6(4) yes
Ce114 . Ce111 . O152 . 89.1(3) yes
O115 . Ce111 . O152 . 65.1(4) yes
O116 . Ce111 . O152 . 70.5(4) yes
O117 . Ce111 . O152 . 128.8(3) yes
C118 . Ce111 . O152 . 136.6(4) yes
Ce114 . Ce111 . O153 . 116.5(3) yes
O115 . Ce111 . O153 . 71.5(4) yes
O116 . Ce111 . O153 . 130.2(4) yes
O117 . Ce111 . O153 . 117.9(4) yes
C118 . Ce111 . O153 . 95.4(5) yes
Ce114 . Ce111 . O164 . 128.6(3) yes
O115 . Ce111 . O164 . 134.3(4) yes
O116 . Ce111 . O164 . 143.6(4) yes
O117 . Ce111 . O164 . 88.2(4) yes
C118 . Ce111 . O164 . 72.5(4) yes
O119 . Ce111 . O152 . 125.5(4) yes
O119 . Ce111 . O153 . 70.1(4) yes
O152 . Ce111 . O153 . 70.3(4) yes
O119 . Ce111 . O164 . 67.4(4) yes
O152 . Ce111 . O164 . 141.8(4) yes
O153 . Ce111 . O164 . 85.0(4) yes
Ce10 . O112 . Ce111 . 112.5(4) yes
Ce10 . O112 . Ce60 . 112.5(5) yes
Ce111 . O112 . Ce60 . 105.2(5) yes
Ce4 . O113 . Ce60 . 113.2(4) yes
Ce4 . O113 . Ce111 . 113.4(4) yes
Ce60 . O113 . Ce111 . 107.0(4) yes
Ce111 . Ce114 . Ce19 . 91.76(3) yes
Ce111 . Ce114 . Ce2 . 120.51(3) yes
Ce19 . Ce114 . Ce2 . 118.38(3) yes
Ce111 . Ce114 . Ce7 . 59.98(2) yes
Ce19 . Ce114 . Ce7 . 61.06(2) yes
Ce2 . Ce114 . Ce7 . 89.93(3) yes
Ce111 . Ce114 . O115 . 48.5(2) yes
Ce19 . Ce114 . O115 . 47.3(2) yes
Ce2 . Ce114 . O115 . 150.6(3) yes
Ce7 . Ce114 . O115 . 60.7(3) yes
Ce111 . Ce114 . O116 . 34.5(3) yes
Ce19 . Ce114 . O116 . 91.3(3) yes
Ce2 . Ce114 . O116 . 91.1(3) yes
Ce7 . Ce114 . O116 . 35.5(2) yes
O115 . Ce114 . O116 . 66.7(4) yes
Ce111 . Ce114 . O117 . 43.2(3) yes
Ce19 . Ce114 . O117 . 121.1(3) yes
Ce2 . Ce114 . O117 . 117.5(3) yes
Ce7 . Ce114 . O117 . 102.5(3) yes
O115 . Ce114 . O117 . 74.6(4) yes
Ce111 . Ce114 . O128 . 91.9(2) yes
Ce19 . Ce114 . O128 . 37.5(2) yes
Ce2 . Ce114 . O128 . 86.7(2) yes
Ce7 . Ce114 . O128 . 35.9(2) yes
O115 . Ce114 . O128 . 68.5(4) yes
Ce111 . Ce114 . O129 . 149.7(3) yes
Ce19 . Ce114 . O129 . 85.2(3) yes
Ce2 . Ce114 . O129 . 40.1(3) yes
Ce7 . Ce114 . O129 . 92.9(3) yes
O115 . Ce114 . O129 . 131.9(4) yes
Ce111 . Ce114 . O130 . 116.6(3) yes
Ce19 . Ce114 . O130 . 41.3(3) yes
Ce2 . Ce114 . O130 . 119.5(3) yes
Ce7 . Ce114 . O130 . 102.3(3) yes
O115 . Ce114 . O130 . 69.2(4) yes
Ce111 . Ce114 . C131 . 108.2(3) yes
Ce19 . Ce114 . C131 . 62.9(4) yes
Ce2 . Ce114 . C131 . 130.9(3) yes
Ce7 . Ce114 . C131 . 121.8(4) yes
O115 . Ce114 . C131 . 70.6(4) yes
Ce111 . Ce114 . O132 . 91.3(3) yes
Ce19 . Ce114 . O132 . 80.5(3) yes
Ce2 . Ce114 . O132 . 140.1(3) yes
Ce7 . Ce114 . O132 . 128.8(3) yes
O115 . Ce114 . O132 . 68.5(4) yes
Ce111 . Ce114 . O141 . 92.2(3) yes
Ce19 . Ce114 . O141 . 139.8(3) yes
Ce2 . Ce114 . O141 . 31.7(3) yes
Ce7 . Ce114 . O141 . 87.0(3) yes
O115 . Ce114 . O141 . 137.3(4) yes
Ce111 . Ce114 . O142 . 129.5(3) yes
Ce19 . Ce114 . O142 . 127.8(3) yes
Ce2 . Ce114 . O142 . 71.4(3) yes
Ce7 . Ce114 . O142 . 161.3(3) yes
O115 . Ce114 . O142 . 138.0(4) yes
O116 . Ce114 . O117 . 70.6(4) yes
O116 . Ce114 . O128 . 71.3(3) yes
O117 . Ce114 . O128 . 134.7(4) yes
O116 . Ce114 . O129 . 115.4(4) yes
O117 . Ce114 . O129 . 153.5(4) yes
O128 . Ce114 . O129 . 67.8(4) yes
O116 . Ce114 . O130 . 130.7(4) yes
O117 . Ce114 . O130 . 116.9(4) yes
O128 . Ce114 . O130 . 73.0(4) yes
O129 . Ce114 . O130 . 79.9(4) yes
O116 . Ce114 . C131 . 137.0(4) yes
O117 . Ce114 . C131 . 93.0(4) yes
O128 . Ce114 . C131 . 98.5(4) yes
O129 . Ce114 . C131 . 97.2(4) yes
O130 . Ce114 . C131 . 26.8(4) yes
O116 . Ce114 . O132 . 125.2(4) yes
O117 . Ce114 . O132 . 68.5(4) yes
O128 . Ce114 . O132 . 117.9(4) yes
O129 . Ce114 . O132 . 117.7(4) yes
O130 . Ce114 . O132 . 50.9(4) yes
O116 . Ce114 . O141 . 70.8(4) yes
O117 . Ce114 . O141 . 87.3(4) yes
O128 . Ce114 . O141 . 102.4(4) yes
O129 . Ce114 . O141 . 71.8(4) yes
O130 . Ce114 . O141 . 150.6(4) yes
O116 . Ce114 . O142 . 141.0(4) yes
O117 . Ce114 . O142 . 86.7(4) yes
O128 . Ce114 . O142 . 138.6(4) yes
O129 . Ce114 . O142 . 73.0(4) yes
O130 . Ce114 . O142 . 87.6(4) yes
C131 . Ce114 . O132 . 24.7(4) yes
C131 . Ce114 . O141 . 150.2(4) yes
O132 . Ce114 . O141 . 139.4(4) yes
C131 . Ce114 . O142 . 73.2(5) yes
O132 . Ce114 . O142 . 69.7(4) yes
O141 . Ce114 . O142 . 77.1(4) yes
Ce15 . O115 . Ce114 . 149.4(5) yes
Ce15 . O115 . Ce19 . 86.5(4) yes
Ce114 . O115 . Ce19 . 86.7(3) yes
Ce15 . O115 . Ce111 . 85.4(3) yes
Ce114 . O115 . Ce111 . 85.6(3) yes
Ce19 . O115 . Ce111 . 149.6(5) yes
Ce4 . O116 . Ce114 . 107.6(4) yes
Ce4 . O116 . Ce7 . 110.8(4) yes
Ce114 . O116 . Ce7 . 108.9(4) yes
Ce4 . O116 . Ce111 . 108.6(4) yes
Ce114 . O116 . Ce111 . 110.7(4) yes
Ce7 . O116 . Ce111 . 110.2(4) yes
Ce111 . O117 . Ce114 . 96.4(4) yes
Ce111 . O117 . C118 . 90.8(12) yes
Ce114 . O117 . C118 . 130.6(10) yes
Ce111 . C118 . O117 . 63.2(9) yes
Ce111 . C118 . O119 . 60.1(9) yes
O117 . C118 . O119 . 120.3(17) yes
Ce111 . C118 . C120 . 159.8(12) yes
O117 . C118 . C120 . 120.4(19) yes
O119 . C118 . C120 . 119.2(17) yes
Ce111 . O119 . C118 . 94.4(10) yes
C118 . C120 . C121 . 120.7(19) yes
C118 . C120 . C127 . 120(2) yes
C121 . C120 . C127 . 119(2) yes
C120 . C121 . C122 . 121(2) yes
C120 . C121 . H1211 . 121.1 no
C122 . C121 . H1211 . 117.3 no
C121 . C122 . C123 . 119(3) yes
C121 . C122 . H1221 . 124.9 no
C123 . C122 . H1221 . 116.0 no
C122 . C123 . O124 . 115(2) yes
C122 . C123 . C126 . 122(2) yes
O124 . C123 . C126 . 123(2) yes
C123 . O124 . C125 . 115(2) yes
O124 . C125 . H1251 . 111.2 no
O124 . C125 . H1252 . 109.3 no
H1251 . C125 . H1252 . 110.4 no
O124 . C125 . H1253 . 108.8 no
H1251 . C125 . H1253 . 110.5 no
H1252 . C125 . H1253 . 106.6 no
C123 . C126 . C127 . 117(2) yes
C126 . C127 . C120 . 121(2) yes
C126 . C127 . H1271 . 117.1 no
C120 . C127 . H1271 . 122.0 no
Ce19 . O128 . Ce7 . 107.8(4) yes
Ce19 . O128 . Ce114 . 107.3(4) yes
Ce7 . O128 . Ce114 . 109.0(4) yes
Ce19 . O128 . Ce22 . 107.7(4) yes
Ce7 . O128 . Ce22 . 109.1(4) yes
Ce114 . O128 . Ce22 . 115.7(4) yes
Ce2 . O129 . Ce114 . 101.0(4) yes
Ce2 . O129 . Ce22 . 101.7(4) yes
Ce114 . O129 . Ce22 . 107.1(4) yes
Ce2 . O129 . H1291 . 110.6 no
Ce114 . O129 . H1291 . 115.4 no
Ce22 . O129 . H1291 . 118.8 no
Ce114 . O130 . Ce19 . 95.3(4) yes
Ce114 . O130 . C131 . 91.2(10) yes
Ce19 . O130 . C131 . 135.9(11) yes
O130 . C131 . Ce114 . 61.9(8) yes
O130 . C131 . O132 . 118.4(15) yes
Ce114 . C131 . O132 . 58.8(9) yes
O130 . C131 . C133 . 119.3(16) yes
Ce114 . C131 . C133 . 164.7(14) yes
O132 . C131 . C133 . 122.4(17) yes
Ce114 . O132 . C131 . 96.5(11) yes
C131 . C133 . C134 . 121.2(18) yes
C131 . C133 . C140 . 122.2(19) yes
C134 . C133 . C140 . 116.6(18) yes
C133 . C134 . C135 . 118(2) yes
C133 . C134 . H1341 . 122.1 no
C135 . C134 . H1341 . 120.3 no
C134 . C135 . C136 . 124(2) yes
C134 . C135 . H1351 . 119.7 no
C136 . C135 . H1351 . 115.9 no
C135 . C136 . O137 . 117(2) yes
C135 . C136 . C139 . 119.3(20) yes
O137 . C136 . C139 . 124(2) yes
C136 . O137 . C138 . 116(2) yes
O137 . C138 . H1381 . 113.2 no
O137 . C138 . H1382 . 111.0 no
H1381 . C138 . H1382 . 108.1 no
O137 . C138 . H1383 . 112.0 no
H1381 . C138 . H1383 . 107.8 no
H1382 . C138 . H1383 . 104.2 no
C136 . C139 . C140 . 118(2) yes
C136 . C139 . H1391 . 122.2 no
C140 . C139 . H1391 . 119.3 no
C139 . C140 . C133 . 124(2) yes
C139 . C140 . H1401 . 116.1 no
C133 . C140 . H1401 . 119.5 no
Ce4 . O141 . Ce2 . 113.4(4) yes
Ce4 . O141 . Ce114 . 113.0(4) yes
Ce2 . O141 . Ce114 . 117.0(5) yes
Ce114 . O142 . C143 . 136.5(12) yes
O142 . C143 . O144 . 124.9(18) yes
O142 . C143 . C145 . 121.2(18) yes
O144 . C143 . C145 . 113.8(18) yes
C143 . O144 . Ce2 . 134.1(13) yes
C143 . C145 . C146 . 123(2) yes
C143 . C145 . C151 . 117.1(20) yes
C146 . C145 . C151 . 120(2) yes
C145 . C146 . C147 . 123(3) yes
C145 . C146 . H1461 . 117.3 no
C147 . C146 . H1461 . 119.3 no
C146 . C147 . C148 . 115(3) yes
C146 . C147 . H1471 . 125.7 no
C148 . C147 . H1471 . 118.4 no
C147 . C148 . O149 . 119(3) yes
C147 . C148 . C150 . 120(3) yes
O149 . C148 . C150 . 120(4) yes
C148 . O149 . C477 . 85(3) yes
C148 . C150 . C151 . 119(3) yes
C148 . C150 . H1501 . 122.6 no
C151 . C150 . H1501 . 116.0 no
C150 . C151 . C145 . 121(3) yes
C150 . C151 . H1511 . 118.7 no
C145 . C151 . H1511 . 119.7 no
Ce10 . O152 . Ce7 . 110.4(4) yes
Ce10 . O152 . Ce111 . 109.0(4) yes
Ce7 . O152 . Ce111 . 109.5(4) yes
Ce10 . O152 . Ce15 . 109.1(4) yes
Ce7 . O152 . Ce15 . 108.3(4) yes
Ce111 . O152 . Ce15 . 110.6(4) yes
Ce15 . O153 . Ce111 . 96.6(4) yes
Ce15 . O153 . C154 . 92.1(11) yes
Ce111 . O153 . C154 . 131.3(13) yes
Ce15 . C154 . O153 . 61.6(9) yes
Ce15 . C154 . O155 . 61.0(10) yes
O153 . C154 . O155 . 118.9(16) yes
Ce15 . C154 . C156 . 159.0(16) yes
O153 . C154 . C156 . 118.8(17) yes
O155 . C154 . C156 . 122.3(18) yes
Ce15 . O155 . C154 . 93.5(12) yes
C154 . C156 . C157 . 122.4(20) yes
C154 . C156 . C163 . 118.3(19) yes
C157 . C156 . C163 . 118.7(19) yes
C156 . C157 . C158 . 120.9(20) yes
C156 . C157 . H1571 . 119.8 no
C158 . C157 . H1571 . 119.3 no
C157 . C158 . C159 . 119(2) yes
C157 . C158 . H1581 . 122.3 no
C159 . C158 . H1581 . 118.6 no
C158 . C159 . O160 . 117(2) yes
C158 . C159 . C162 . 121(2) yes
O160 . C159 . C162 . 122(2) yes
C159 . O160 . C161 . 116(2) yes
O160 . C161 . H1611 . 106.3 no
O160 . C161 . H1612 . 121.4 no
H1611 . C161 . H1612 . 118.6 no
O160 . C161 . H1613 . 99.4 no
H1611 . C161 . H1613 . 99.9 no
H1612 . C161 . H1613 . 107.3 no
C159 . C162 . C163 . 120(2) yes
C159 . C162 . H1621 . 119.1 no
C163 . C162 . H1621 . 120.5 no
C156 . C163 . C162 . 120(2) yes
C156 . C163 . H1631 . 116.9 no
C162 . C163 . H1631 . 121.3 no
Ce111 . O164 . C165 . 134.2(11) yes
O164 . C165 . O166 . 123.4(15) yes
O164 . C165 . C167 . 118.2(16) yes
O166 . C165 . C167 . 118.4(15) yes
C165 . O166 . Ce60 . 134.2(10) yes
C165 . C167 . C168 . 120.9(15) yes
C165 . C167 . C174 . 119.5(16) yes
C168 . C167 . C174 . 119.6(16) yes
C167 . C168 . C169 . 120.1(16) yes
C167 . C168 . H1681 . 118.7 no
C169 . C168 . H1681 . 121.2 no
C168 . C169 . C170 . 120.3(17) yes
C168 . C169 . H1691 . 120.9 no
C170 . C169 . H1691 . 118.8 no
C169 . C170 . O171 . 114.7(17) yes
C169 . C170 . C173 . 118.5(17) yes
O171 . C170 . C173 . 126.8(19) yes
C170 . O171 . C172 . 116.5(17) yes
O171 . C172 . H1721 . 114.2 no
O171 . C172 . H1722 . 111.9 no
H1721 . C172 . H1722 . 110.6 no
O171 . C172 . H1723 . 107.6 no
H1721 . C172 . H1723 . 106.8 no
H1722 . C172 . H1723 . 105.0 no
C170 . C173 . C174 . 121.5(18) yes
C170 . C173 . H1731 . 119.2 no
C174 . C173 . H1731 . 119.3 no
C167 . C174 . C173 . 119.9(18) yes
C167 . C174 . H1741 . 119.4 no
C173 . C174 . H1741 . 120.7 no
Ce54 . O175 . Ce56 . 96.3(4) yes
Ce54 . O175 . C176 . 92.4(13) yes
Ce56 . O175 . C176 . 159.1(12) yes
O175 . C176 . Ce54 . 62.7(11) yes
O175 . C176 . O177 . 116(2) yes
Ce54 . C176 . O177 . 55.3(10) yes
O175 . C176 . C178 . 122.3(18) yes
Ce54 . C176 . C178 . 165.7(12) yes
O177 . C176 . C178 . 121.2(17) yes
Ce54 . O177 . C176 . 100.4(12) yes
C176 . C178 . C179 . 116.6(12) yes
C176 . C178 . C184 . 122.7(12) yes
C179 . C178 . C184 . 120.00(4) yes
C178 . C179 . C180 . 120.00(3) yes
C178 . C179 . H1791 . 122.7 no
C180 . C179 . H1791 . 117.0 no
C179 . C180 . C181 . 120.00(3) yes
C179 . C180 . H1801 . 129.0 no
C181 . C180 . H1801 . 111.0 no
C180 . C181 . O182 . 119.97(7) yes
C180 . C181 . C183 . 120.00(3) yes
O182 . C181 . C183 . 120.03(7) yes
C181 . O182 . C600 . 109.8(5) yes
C181 . C183 . C184 . 120.00(3) yes
C181 . C183 . H1831 . 118.8 no
C184 . C183 . H1831 . 120.6 no
C183 . C184 . C178 . 120.00(3) yes
C183 . C184 . H1841 . 123.7 no
C178 . C184 . H1841 . 115.8 no
Ce4 . O185 . Ce56 . 113.2(4) yes
Ce4 . O185 . Ce1 . 114.0(4) yes
Ce56 . O185 . Ce1 . 114.5(4) yes
Ce56 . O186 . C187 . 138.1(11) yes
O186 . C187 . O188 . 122.3(16) yes
O186 . C187 . C189 . 118.8(15) yes
O188 . C187 . C189 . 118.7(17) yes
C187 . O188 . Ce1 . 132.9(12) yes
C187 . C189 . C190 . 120.2(18) yes
C187 . C189 . C196 . 121.9(16) yes
C190 . C189 . C196 . 117.8(18) yes
C189 . C190 . C191 . 123(2) yes
C189 . C190 . H1901 . 120.3 no
C191 . C190 . H1901 . 116.7 no
C190 . C191 . C192 . 118.4(18) yes
C190 . C191 . H1911 . 124.0 no
C192 . C191 . H1911 . 117.5 no
C191 . C192 . O193 . 125.1(19) yes
C191 . C192 . C195 . 118.4(18) yes
O193 . C192 . C195 . 116.5(17) yes
C192 . O193 . C194 . 117.8(15) yes
O193 . C194 . H1941 . 103.3 no
O193 . C194 . H1942 . 112.7 no
H1941 . C194 . H1942 . 107.6 no
O193 . C194 . H1943 . 111.5 no
H1941 . C194 . H1943 . 107.2 no
H1942 . C194 . H1943 . 113.7 no
C192 . C195 . C196 . 121.2(18) yes
C192 . C195 . H1951 . 121.5 no
C196 . C195 . H1951 . 117.2 no
C189 . C196 . C195 . 121.2(17) yes
C189 . C196 . H1961 . 118.4 no
C195 . C196 . H1961 . 120.4 no
Ce55 . O197 . Ce54 . 95.3(4) yes
Ce55 . O197 . C198 . 94.8(10) yes
Ce54 . O197 . C198 . 131.1(12) yes
O197 . C198 . Ce55 . 59.6(8) yes
O197 . C198 . O199 . 117.3(14) yes
Ce55 . C198 . O199 . 58.5(9) yes
O197 . C198 . C200 . 121.3(15) yes
Ce55 . C198 . C200 . 168.7(14) yes
O199 . C198 . C200 . 121.4(16) yes
Ce55 . O199 . C198 . 96.7(10) yes
C198 . C200 . C201 . 123.0(16) yes
C198 . C200 . C207 . 121.2(16) yes
C201 . C200 . C207 . 115.6(17) yes
C200 . C201 . C202 . 121.3(19) yes
C200 . C201 . H2011 . 118.2 no
C202 . C201 . H2011 . 119.6 no
C201 . C202 . C203 . 120(2) yes
C201 . C202 . H2021 . 116.5 no
C203 . C202 . H2021 . 122.5 no
C202 . C203 . O204 . 118(2) yes
C202 . C203 . C206 . 119(2) yes
O204 . C203 . C206 . 123(2) yes
C203 . O204 . C205 . 121(3) yes
O204 . C205 . H2051 . 117.7 no
O204 . C205 . H2052 . 110.7 no
H2051 . C205 . H2052 . 117.2 no
O204 . C205 . H2053 . 100.8 no
H2051 . C205 . H2053 . 105.9 no
H2052 . C205 . H2053 . 101.4 no
C203 . C206 . C207 . 121(2) yes
C203 . C206 . H2061 . 119.2 no
C207 . C206 . H2061 . 119.4 no
C200 . C207 . C206 . 121.7(19) yes
C200 . C207 . H2071 . 118.3 no
C206 . C207 . H2071 . 119.8 no
Ce3 . O208 . Ce6 . 110.8(4) yes
Ce3 . O208 . Ce55 . 108.3(4) yes
Ce6 . O208 . Ce55 . 108.2(4) yes
Ce3 . O208 . Ce48 . 108.1(4) yes
Ce6 . O208 . Ce48 . 110.6(4) yes
Ce55 . O208 . Ce48 . 110.7(4) yes
Ce48 . O209 . Ce55 . 96.1(4) yes
Ce48 . O209 . C210 . 89.3(11) yes
Ce55 . O209 . C210 . 132.1(10) yes
Ce48 . C210 . O209 . 64.2(9) yes
Ce48 . C210 . O211 . 59.7(9) yes
O209 . C210 . O211 . 121.1(17) yes
Ce48 . C210 . C212 . 156.5(10) yes
O209 . C210 . C212 . 116.1(19) yes
O211 . C210 . C212 . 122.4(17) yes
Ce48 . O211 . C210 . 95.2(10) yes
C210 . C212 . C213 . 119.4(18) yes
C210 . C212 . C219 . 123.8(17) yes
C213 . C212 . C219 . 116.8(17) yes
C212 . C213 . C214 . 122.1(20) yes
C212 . C213 . H2131 . 117.4 no
C214 . C213 . H2131 . 120.5 no
C213 . C214 . C215 . 119.0(18) yes
C213 . C214 . H2141 . 119.7 no
C215 . C214 . H2141 . 121.3 no
C214 . C215 . O216 . 124.5(19) yes
C214 . C215 . C218 . 121.9(18) yes
O216 . C215 . C218 . 114(2) yes
C215 . O216 . C217 . 113(2) yes
O216 . C217 . H2171 . 102.6 no
O216 . C217 . H2172 . 108.8 no
H2171 . C217 . H2172 . 110.5 no
O216 . C217 . H2173 . 109.3 no
H2171 . C217 . H2173 . 112.4 no
H2172 . C217 . H2173 . 112.7 no
C215 . C218 . C219 . 118(2) yes
C215 . C218 . H2181 . 121.5 no
C219 . C218 . H2181 . 120.3 no
C212 . C219 . C218 . 122.4(18) yes
C212 . C219 . H2191 . 118.3 no
C218 . C219 . H2191 . 118.8 no
Ce3 . O220 . Ce1 . 112.4(4) yes
Ce3 . O220 . Ce55 . 113.5(4) yes
Ce1 . O220 . Ce55 . 116.2(4) yes
Ce55 . O221 . C222 . 137.2(13) yes
O221 . C222 . O223 . 123.3(20) yes
O221 . C222 . C224 . 114(2) yes
O223 . C222 . C224 . 122(2) yes
Ce1 . O223 . C222 . 135.1(13) yes
C222 . C224 . C225 . 124(2) yes
C222 . C224 . C231 . 123(3) yes
C225 . C224 . C231 . 113(2) yes
C224 . C225 . C226 . 126(3) yes
C224 . C225 . H2251 . 115.0 no
C226 . C225 . H2251 . 118.3 no
C225 . C226 . C227 . 120(4) yes
C225 . C226 . H2261 . 122.2 no
C227 . C226 . H2261 . 117.0 no
C226 . C227 . O228 . 135(4) yes
C226 . C227 . C230 . 121(3) yes
O228 . C227 . C230 . 104(3) yes
C227 . O228 . C229 . 116(4) yes
O228 . C229 . H2291 . 125.1 no
O228 . C229 . H2292 . 115.3 no
H2291 . C229 . H2292 . 103.3 no
O228 . C229 . H2293 . 106.2 no
H2291 . C229 . H2293 . 105.1 no
H2292 . C229 . H2293 . 98.0 no
C227 . C230 . C231 . 115(3) yes
C227 . C230 . H2301 . 119.8 no
C231 . C230 . H2301 . 124.6 no
C224 . C231 . C230 . 124(3) yes
C224 . C231 . H2311 . 112.8 no
C230 . C231 . H2311 . 122.9 no
Ce54 . O232 . Ce51 . 96.2(4) yes
Ce54 . O232 . C233 . 91.7(12) yes
Ce51 . O232 . C233 . 157.9(11) yes
O232 . C233 . Ce54 . 63.0(10) yes
O232 . C233 . O234 . 118.7(19) yes
Ce54 . C233 . O234 . 56.4(10) yes
O232 . C233 . C235 . 119.0(19) yes
Ce54 . C233 . C235 . 171.7(14) yes
O234 . C233 . C235 . 122.3(18) yes
Ce54 . O234 . C233 . 98.6(11) yes
C233 . C235 . C236 . 124(2) yes
C233 . C235 . C242 . 120.4(20) yes
C236 . C235 . C242 . 116(2) yes
C235 . C236 . C237 . 122(2) yes
C235 . C236 . H2361 . 117.0 no
C237 . C236 . H2361 . 120.3 no
C236 . C237 . C238 . 119(2) yes
C236 . C237 . H2371 . 120.4 no
C238 . C237 . H2371 . 121.0 no
C237 . C238 . O239 . 112.8(20) yes
C237 . C238 . C241 . 122(2) yes
O239 . C238 . C241 . 125(2) yes
C238 . O239 . C240 . 120(2) yes
O239 . C240 . H2401 . 111.7 no
O239 . C240 . H2402 . 113.0 no
H2401 . C240 . H2402 . 106.3 no
O239 . C240 . H2403 . 112.2 no
H2401 . C240 . H2403 . 106.7 no
H2402 . C240 . H2403 . 106.3 no
C238 . C241 . C242 . 121(2) yes
C238 . C241 . H2411 . 120.9 no
C242 . C241 . H2411 . 117.8 no
C235 . C242 . C241 . 120(2) yes
C235 . C242 . H2421 . 119.5 no
C241 . C242 . H2421 . 119.3 no
Ce51 . O243 . Ce48 . 96.3(4) yes
Ce51 . O243 . C244 . 91.2(11) yes
Ce48 . O243 . C244 . 131.1(12) yes
Ce51 . C244 . O243 . 62.7(10) yes
Ce51 . C244 . O245 . 61.2(10) yes
O243 . C244 . O245 . 121.0(18) yes
Ce51 . C244 . C246 . 158.7(13) yes
O243 . C244 . C246 . 118.5(18) yes
O245 . C244 . C246 . 120.3(18) yes
Ce51 . O245 . C244 . 93.1(11) yes
C244 . C246 . C247 . 119.6(18) yes
C244 . C246 . C253 . 122.7(18) yes
C247 . C246 . C253 . 117.2(18) yes
C246 . C247 . C248 . 121(2) yes
C246 . C247 . H2471 . 117.0 no
C248 . C247 . H2471 . 121.2 no
C247 . C248 . C249 . 121(2) yes
C247 . C248 . H2481 . 118.5 no
C249 . C248 . H2481 . 120.8 no
C248 . C249 . O250 . 124(2) yes
C248 . C249 . C252 . 121(2) yes
O250 . C249 . C252 . 114.8(20) yes
C249 . O250 . C251 . 116.8(18) yes
O250 . C251 . H2511 . 111.0 no
O250 . C251 . H2512 . 108.9 no
H2511 . C251 . H2512 . 114.7 no
O250 . C251 . H2513 . 104.5 no
H2511 . C251 . H2513 . 109.4 no
H2512 . C251 . H2513 . 107.8 no
C249 . C252 . C253 . 118(2) yes
C249 . C252 . H2521 . 122.2 no
C253 . C252 . H2521 . 119.7 no
C252 . C253 . C246 . 121.4(20) yes
C252 . C253 . H2531 . 118.7 no
C246 . C253 . H2531 . 119.8 no
Ce9 . O254 . Ce51 . 112.1(5) yes
Ce9 . O254 . Ce12 . 112.8(5) yes
Ce51 . O254 . Ce12 . 116.1(5) yes
Ce51 . O255 . C256 . 135.8(13) yes
O255 . C256 . O257 . 128.2(18) yes
O255 . C256 . C258 . 113.6(19) yes
O257 . C256 . C258 . 118.2(17) yes
Ce12 . O257 . C256 . 130.6(12) yes
C256 . C258 . C259 . 124(2) yes
C256 . C258 . C265 . 119.9(19) yes
C259 . C258 . C265 . 116(2) yes
C258 . C259 . C260 . 125(3) yes
C258 . C259 . H2591 . 113.6 no
C260 . C259 . H2591 . 121.4 no
C259 . C260 . C261 . 114(3) yes
C259 . C260 . H2601 . 120.6 no
C261 . C260 . H2601 . 124.7 no
C260 . C261 . O262 . 104(3) yes
C260 . C261 . C264 . 124(3) yes
O262 . C261 . C264 . 132(3) yes
C261 . O262 . C263 . 112(7) yes
O262 . C263 . H2631 . 107.7 no
O262 . C263 . H2632 . 116.6 no
H2631 . C263 . H2632 . 98.5 no
O262 . C263 . H2633 . 106.3 no
H2631 . C263 . H2633 . 110.7 no
H2632 . C263 . H2633 . 116.6 no
C261 . C264 . C265 . 120(3) yes
C261 . C264 . H2641 . 123.7 no
C265 . C264 . H2641 . 116.2 no
C264 . C265 . C258 . 120(2) yes
C264 . C265 . H2651 . 122.8 no
C258 . C265 . H2651 . 116.7 no
Ce48 . O266 . C267 . 134.5(12) yes
O266 . C267 . O268 . 122.3(17) yes
O266 . C267 . C269 . 119.3(17) yes
O268 . C267 . C269 . 118.3(17) yes
C267 . O268 . Ce23 . 135.3(11) yes
C267 . C269 . C270 . 122.5(17) yes
C267 . C269 . C276 . 120.6(17) yes
C270 . C269 . C276 . 116.9(16) yes
C269 . C270 . C271 . 120.5(18) yes
C269 . C270 . H2701 . 119.9 no
C271 . C270 . H2701 . 119.5 no
C270 . C271 . C272 . 120.3(19) yes
C270 . C271 . H2711 . 120.5 no
C272 . C271 . H2711 . 119.2 no
C271 . C272 . O273 . 116.3(20) yes
C271 . C272 . C275 . 121.1(18) yes
O273 . C272 . C275 . 123(2) yes
C272 . O273 . C274 . 115(2) yes
O273 . C274 . H2741 . 110.4 no
O273 . C274 . H2742 . 118.0 no
H2741 . C274 . H2742 . 108.2 no
O273 . C274 . H2743 . 110.3 no
H2741 . C274 . H2743 . 103.1 no
H2742 . C274 . H2743 . 105.8 no
C272 . C275 . C276 . 118(2) yes
C272 . C275 . H2751 . 120.9 no
C276 . C275 . H2751 . 121.0 no
C275 . C276 . C269 . 123.2(20) yes
C275 . C276 . H2761 . 118.9 no
C269 . C276 . H2761 . 117.7 no
Ce19 . O277 . Ce22 . 96.1(4) yes
Ce19 . O277 . C278 . 92.1(13) yes
Ce22 . O277 . C278 . 159.0(12) yes
O277 . C278 . Ce19 . 62.6(11) yes
O277 . C278 . O279 . 117.8(20) yes
Ce19 . C278 . O279 . 56.1(11) yes
O277 . C278 . C280 . 121(2) yes
Ce19 . C278 . C280 . 161.4(16) yes
O279 . C278 . C280 . 119.9(18) yes
Ce19 . O279 . C278 . 99.5(12) yes
C278 . C280 . C281 . 126(2) yes
C278 . C280 . C287 . 118(2) yes
C281 . C280 . C287 . 116(3) yes
C280 . C281 . C282 . 125(3) yes
C280 . C281 . H2811 . 113.9 no
C282 . C281 . H2811 . 120.7 no
C281 . C282 . C283 . 120(3) yes
C281 . C282 . H2821 . 118.3 no
C283 . C282 . H2821 . 121.4 no
C282 . C283 . O284 . 133(3) yes
C282 . C283 . C286 . 120(3) yes
O284 . C283 . C286 . 107(3) yes
C283 . O284 . C221 . 113(5) yes
C283 . C286 . C287 . 117(3) yes
C283 . C286 . H2861 . 125.0 no
C287 . C286 . H2861 . 118.0 no
C286 . C287 . C280 . 121(3) yes
C286 . C287 . H2871 . 119.9 no
C280 . C287 . H2871 . 118.7 no
Ce3 . O288 . Ce22 . 112.1(4) yes
Ce3 . O288 . Ce2 . 113.6(4) yes
Ce22 . O288 . Ce2 . 116.0(4) yes
Ce22 . O289 . C290 . 138.9(12) yes
O289 . C290 . O291 . 123.8(17) yes
O289 . C290 . C292 . 116.5(17) yes
O291 . C290 . C292 . 119.7(19) yes
Ce2 . O291 . C290 . 132.6(12) yes
C290 . C292 . C293 . 119.3(19) yes
C290 . C292 . C299 . 121(2) yes
C293 . C292 . C299 . 119.2(20) yes
C292 . C293 . C294 . 120(2) yes
C292 . C293 . H2931 . 121.0 no
C294 . C293 . H2931 . 118.4 no
C293 . C294 . C295 . 122(3) yes
C293 . C294 . H2941 . 119.7 no
C295 . C294 . H2941 . 117.2 no
C294 . C295 . O296 . 126(3) yes
C294 . C295 . C298 . 118(3) yes
O296 . C295 . C298 . 115(3) yes
C295 . O296 . C297 . 117(2) yes
O296 . C297 . H2971 . 109.0 no
O296 . C297 . H2972 . 109.2 no
H2971 . C297 . H2972 . 109.5 no
O296 . C297 . H2973 . 110.2 no
H2971 . C297 . H2973 . 109.5 no
H2972 . C297 . H2973 . 109.5 no
C295 . C298 . C299 . 123(3) yes
C295 . C298 . H2981 . 120.1 no
C299 . C298 . H2981 . 116.7 no
C292 . C299 . C298 . 117(2) yes
C292 . C299 . H2991 . 121.8 no
C298 . C299 . H2991 . 121.5 no
Ce17 . O300 . Ce19 . 95.8(4) yes
Ce17 . O300 . C301 . 93.9(12) yes
Ce19 . O300 . C301 . 134.8(13) yes
O300 . C301 . Ce17 . 59.5(10) yes
O300 . C301 . O302 . 116.6(17) yes
Ce17 . C301 . O302 . 58.5(10) yes
O300 . C301 . C303 . 118.5(19) yes
Ce17 . C301 . C303 . 158.7(15) yes
O302 . C301 . C303 . 123.9(20) yes
Ce17 . O302 . C301 . 97.0(12) yes
C301 . C303 . C304 . 120(2) yes
C301 . C303 . C309 . 121.8(18) yes
C304 . C303 . C309 . 118(2) yes
C303 . C304 . C305 . 123(3) yes
C303 . C304 . H3041 . 119.9 no
C305 . C304 . H3041 . 117.1 no
C304 . C305 . C306 . 118(2) yes
C304 . C305 . H3051 . 119.5 no
C306 . C305 . H3051 . 122.1 no
C305 . C306 . O307 . 126(3) yes
C305 . C306 . C308 . 122(2) yes
O307 . C306 . C308 . 112(3) yes
C306 . O307 . C1 . 131(5) yes
C306 . C308 . C309 . 117(3) yes
C306 . C308 . H3081 . 119.4 no
C309 . C308 . H3081 . 122.1 no
C303 . C309 . C308 . 123(2) yes
C303 . C309 . H3091 . 116.2 no
C308 . C309 . H3091 . 119.9 no
Ce19 . O310 . Ce15 . 95.6(4) yes
Ce19 . O310 . C311 . 91.1(15) yes
Ce15 . O310 . C311 . 152.5(12) yes
O310 . C311 . Ce19 . 63.0(11) yes
O310 . C311 . O312 . 118(2) yes
Ce19 . C311 . O312 . 55.9(12) yes
O310 . C311 . C313 . 116(3) yes
Ce19 . C311 . C313 . 170.2(14) yes
O312 . C311 . C313 . 125(2) yes
Ce19 . O312 . C311 . 99.7(13) yes
C311 . C313 . C314 . 119(2) yes
C311 . C313 . C320 . 127(2) yes
C314 . C313 . C320 . 114(2) yes
C313 . C314 . C315 . 122(2) yes
C313 . C314 . H3141 . 123.3 no
C315 . C314 . H3141 . 114.4 no
C314 . C315 . C316 . 118(2) yes
C314 . C315 . H3151 . 125.6 no
C316 . C315 . H3151 . 116.0 no
C315 . C316 . O317 . 121(2) yes
C315 . C316 . C319 . 120.9(19) yes
O317 . C316 . C319 . 118(2) yes
C316 . O317 . C318 . 118(2) yes
O317 . C318 . H3181 . 110.5 no
O317 . C318 . H3182 . 107.5 no
H3181 . C318 . H3182 . 109.8 no
O317 . C318 . H3183 . 107.6 no
H3181 . C318 . H3183 . 112.3 no
H3182 . C318 . H3183 . 109.0 no
C316 . C319 . C320 . 118(2) yes
C316 . C319 . H3191 . 116.9 no
C320 . C319 . H3191 . 125.6 no
C313 . C320 . C319 . 127(2) yes
C313 . C320 . H3201 . 116.2 no
C319 . C320 . H3201 . 116.7 no
Ce9 . O321 . Ce17 . 112.2(5) yes
Ce9 . O321 . Ce13 . 112.9(5) yes
Ce17 . O321 . Ce13 . 117.1(6) yes
Ce17 . O322 . C323 . 136.8(12) yes
O322 . C323 . O324 . 127.2(20) yes
O322 . C323 . C325 . 119.2(20) yes
O324 . C323 . C325 . 114(2) yes
Ce13 . O324 . C323 . 131.6(13) yes
C323 . C325 . C326 . 120(2) yes
C323 . C325 . C332 . 127(2) yes
C326 . C325 . C332 . 113(2) yes
C325 . C326 . C327 . 127(2) yes
C325 . C326 . H3261 . 119.8 no
C327 . C326 . H3261 . 113.2 no
C326 . C327 . C328 . 117(2) yes
C326 . C327 . H3271 . 123.5 no
C328 . C327 . H3271 . 119.8 no
C327 . C328 . O329 . 126(3) yes
C327 . C328 . C331 . 120(2) yes
O329 . C328 . C331 . 113(3) yes
C328 . O329 . C330 . 117(2) yes
O329 . C330 . H3301 . 104.9 no
O329 . C330 . H3302 . 99.5 no
H3301 . C330 . H3302 . 113.5 no
O329 . C330 . H3303 . 104.9 no
H3301 . C330 . H3303 . 113.9 no
H3302 . C330 . H3303 . 117.7 no
C328 . C331 . C332 . 116(3) yes
C328 . C331 . H3311 . 121.9 no
C332 . C331 . H3311 . 122.2 no
C325 . C332 . C331 . 126(3) yes
C325 . C332 . H3321 . 117.7 no
C331 . C332 . H3321 . 116.1 no
Ce15 . O333 . C334 . 135.5(15) yes
O333 . C334 . O335 . 129(2) yes
O333 . C334 . C336 . 118(3) yes
O335 . C334 . C336 . 113(3) yes
Ce13 . O335 . C334 . 129.9(15) yes
C334 . C336 . C337 . 120(2) yes
C334 . C336 . C343 . 120(2) yes
C337 . C336 . C343 . 120.00(4) yes
C336 . C337 . C338 . 120.00(3) yes
C336 . C337 . H3371 . 120.6 no
C338 . C337 . H3371 . 115.7 no
C337 . C338 . C339 . 120.00(3) yes
C337 . C338 . H3381 . 120.5 no
C339 . C338 . H3381 . 117.0 no
C338 . C339 . O340 . 120.00(7) yes
C338 . C339 . C342 . 120.00(3) yes
O340 . C339 . C342 . 119.99(7) yes
C339 . O340 . C341 . 108.7(9) yes
O340 . C341 . H3411 . 100.0 no
O340 . C341 . H3412 . 65.1 no
H3411 . C341 . H3412 . 109.4 no
O340 . C341 . H3413 . 119.5 no
H3411 . C341 . H3413 . 128.5 no
H3412 . C341 . H3413 . 116.3 no
C339 . C342 . C343 . 120.00(3) yes
C339 . C342 . H3421 . 119.5 no
C343 . C342 . H3421 . 116.4 no
C336 . C343 . C342 . 120.00(3) yes
C336 . C343 . H3431 . 118.1 no
C342 . C343 . H3431 . 120.1 no
Ce13 . O344 . C345 . 120(3) yes
O344 . C345 . Ce13 . 40.9(19) yes
O344 . C345 . O346 . 118(4) yes
Ce13 . C345 . O346 . 81(3) yes
O344 . C345 . C347 . 119(3) yes
Ce13 . C345 . C347 . 146.9(16) yes
O346 . C345 . C347 . 123(4) yes
Ce12 . O346 . C345 . 145(2) yes
Ce12 . O346 . Ce13 . 89.1(8) yes
C345 . O346 . Ce13 . 77(3) yes
C345 . C347 . C348 . 125(3) yes
C345 . C347 . C352 . 114(3) yes
C348 . C347 . C352 . 119.38(4) yes
C347 . C348 . C349 . 119.37(4) yes
C347 . C348 . H3481 . 106.1 no
C349 . C348 . H3481 . 121.2 no
C348 . C349 . C350 . 119.36(4) yes
C348 . C349 . H3491 . 117.9 no
C350 . C349 . H3491 . 122.7 no
C349 . C350 . O351 . 119.20(9) yes
C349 . C350 . C353 . 119.37(4) yes
O351 . C350 . C353 . 119.20(9) yes
C350 . O351 . C579 . 104(2) yes
C347 . C352 . C353 . 119.37(4) yes
C347 . C352 . H3521 . 122.0 no
C353 . C352 . H3521 . 116.0 no
C352 . C353 . C350 . 119.36(4) yes
C352 . C353 . H3531 . 129.7 no
C350 . C353 . H3531 . 109.7 no
Ce13 . O354 . Ce12 . 89.9(8) yes
Ce13 . O354 . C355 . 145(2) yes
Ce12 . O354 . C355 . 80(3) yes
O354 . C355 . Ce12 . 79(3) yes
O354 . C355 . O356 . 118(4) yes
Ce12 . C355 . O356 . 41.7(17) yes
O354 . C355 . C357 . 123(4) yes
Ce12 . C355 . C357 . 153.1(20) yes
O356 . C355 . C357 . 119(3) yes
Ce12 . O356 . C355 . 118(2) yes
C355 . C357 . C358 . 121(3) yes
C355 . C357 . C364 . 123(3) yes
C358 . C357 . C364 . 116(2) yes
C357 . C358 . C359 . 124(3) yes
C357 . C358 . H3581 . 116.7 no
C359 . C358 . H3581 . 119.7 no
C358 . C359 . C360 . 121(3) yes
C358 . C359 . H3591 . 119.5 no
C360 . C359 . H3591 . 119.8 no
C359 . C360 . O361 . 126(3) yes
C359 . C360 . C363 . 117(2) yes
O361 . C360 . C363 . 116(2) yes
C360 . O361 . C362 . 118(2) yes
O361 . C362 . H3621 . 102.8 no
O361 . C362 . H3622 . 104.9 no
H3621 . C362 . H3622 . 121.1 no
O361 . C362 . H3623 . 101.4 no
H3621 . C362 . H3623 . 108.2 no
H3622 . C362 . H3623 . 115.6 no
C360 . C363 . C364 . 118(2) yes
C360 . C363 . H3631 . 118.3 no
C364 . C363 . H3631 . 123.9 no
C357 . C364 . C363 . 125(3) yes
C357 . C364 . H3641 . 118.0 no
C363 . C364 . H3641 . 117.2 no
Ce10 . N365 . C366 . 121.8(13) yes
Ce10 . N365 . C370 . 119.0(14) yes
C366 . N365 . C370 . 119.1(18) yes
N365 . C366 . C367 . 119(2) yes
N365 . C366 . H3661 . 120.4 no
C367 . C366 . H3661 . 120.4 no
C366 . C367 . C368 . 122(2) yes
C366 . C367 . H3671 . 118.6 no
C368 . C367 . H3671 . 119.5 no
C367 . C368 . C369 . 118.9(19) yes
C367 . C368 . H3681 . 122.1 no
C369 . C368 . H3681 . 119.0 no
C368 . C369 . C370 . 116.1(20) yes
C368 . C369 . H3691 . 124.1 no
C370 . C369 . H3691 . 119.9 no
C369 . C370 . N365 . 125(2) yes
C369 . C370 . H3701 . 116.8 no
N365 . C370 . H3701 . 118.6 no
Ce9 . N371 . C372 . 125.3(10) yes
Ce9 . N371 . C376 . 124.2(10) yes
C372 . N371 . C376 . 109.51(6) yes
N371 . C372 . C373 . 123.09(6) yes
N371 . C372 . H3721 . 118.8 no
C373 . C372 . H3721 . 117.4 no
C372 . C373 . C374 . 132.13(6) yes
C372 . C373 . H3731 . 111.4 no
C374 . C373 . H3731 . 111.5 no
C373 . C374 . C375 . 100.00(6) yes
C373 . C374 . H3741 . 122.5 no
C375 . C374 . H3741 . 132.3 no
C374 . C375 . C376 . 132.14(6) yes
C374 . C375 . H3751 . 102.1 no
C376 . C375 . H3751 . 116.7 no
C375 . C376 . N371 . 123.09(6) yes
C375 . C376 . H3761 . 105.6 no
N371 . C376 . H3761 . 127.8 no
Ce4 . N377 . C378 . 118.6(6) yes
Ce4 . N377 . C382 . 126.3(6) yes
C378 . N377 . C382 . 113.06(6) yes
N377 . C378 . C379 . 124.30(6) yes
C378 . C379 . C380 . 120.60(6) yes
C378 . C379 . H3791 . 120.5 no
C380 . C379 . H3791 . 118.8 no
C379 . C380 . C381 . 117.13(6) yes
C379 . C380 . H3801 . 117.6 no
C381 . C380 . H3801 . 125.3 no
C380 . C381 . C382 . 120.60(6) yes
C380 . C381 . H3811 . 117.8 no
C382 . C381 . H3811 . 121.5 no
N377 . C382 . C381 . 124.31(6) yes
N377 . C382 . H3821 . 117.9 no
C381 . C382 . H3821 . 117.8 no
Ce3 . N383 . C384 . 117.4(15) yes
Ce3 . N383 . C388 . 124.3(16) yes
C384 . N383 . C388 . 118(2) yes
N383 . C384 . C385 . 114(3) yes
N383 . C384 . H3841 . 121.7 no
C385 . C384 . H3841 . 124.4 no
C384 . C385 . C386 . 127(3) yes
C384 . C385 . H3851 . 115.8 no
C386 . C385 . H3851 . 117.5 no
C385 . C386 . C387 . 117(3) yes
C385 . C386 . H3861 . 123.9 no
C387 . C386 . H3861 . 118.2 no
C386 . C387 . C388 . 114(3) yes
C386 . C387 . H3871 . 117.0 no
C388 . C387 . H3871 . 126.0 no
C387 . C388 . N383 . 129(3) yes
C387 . C388 . H3881 . 112.5 no
N383 . C388 . H3881 . 116.1 no
Ce2 . O389 . C390 . 141.3(18) yes
O389 . C390 . Ce1 . 88(2) yes
O389 . C390 . O391 . 123(4) yes
Ce1 . C390 . O391 . 38.1(16) yes
O389 . C390 . C392 . 121(3) yes
Ce1 . C390 . C392 . 145.0(15) yes
O391 . C390 . C392 . 116(2) yes
C390 . O391 . Ce1 . 123(2) yes
C390 . C392 . C393 . 127(2) yes
C390 . C392 . C399 . 120(2) yes
C393 . C392 . C399 . 113(2) yes
C392 . C393 . C394 . 127(2) yes
C392 . C393 . H3931 . 113.3 no
C394 . C393 . H3931 . 119.9 no
C393 . C394 . C395 . 117(2) yes
C393 . C394 . H3941 . 120.8 no
C395 . C394 . H3941 . 122.0 no
C394 . C395 . O396 . 123(2) yes
C394 . C395 . C398 . 121(2) yes
O396 . C395 . C398 . 116(2) yes
C395 . O396 . C397 . 118(2) yes
O396 . C397 . H3971 . 111.1 no
O396 . C397 . H3972 . 113.1 no
H3971 . C397 . H3972 . 109.6 no
O396 . C397 . H3973 . 109.0 no
H3971 . C397 . H3973 . 108.1 no
H3972 . C397 . H3973 . 105.7 no
C395 . C398 . C399 . 122(3) yes
C395 . C398 . H3981 . 118.9 no
C399 . C398 . H3981 . 118.7 no
C392 . C399 . C398 . 120(2) yes
C392 . C399 . H3991 . 120.1 no
C398 . C399 . H3991 . 120.1 no
Ce2 . O400 . C401 . 122(2) yes
O400 . C401 . O402 . 116(4) yes
O400 . C401 . C403 . 122(3) yes
O402 . C401 . C403 . 121(4) yes
Ce1 . O402 . C401 . 144.5(19) yes
C401 . C403 . C404 . 118(2) yes
C401 . C403 . C410 . 122(2) yes
C404 . C403 . C410 . 120.00(4) yes
C403 . C404 . C405 . 120.00(3) yes
C403 . C404 . H4041 . 120.7 no
C405 . C404 . H4041 . 118.3 no
C404 . C405 . C406 . 120.00(3) yes
C404 . C405 . H4051 . 116.6 no
C406 . C405 . H4051 . 115.4 no
C405 . C406 . O407 . 120.00(7) yes
C405 . C406 . C409 . 120.00(3) yes
O407 . C406 . C409 . 120.00(7) yes
C406 . O407 . C408 . 153(3) yes
O407 . C408 . H4081 . 145.3 no
O407 . C408 . H4082 . 91.4 no
H4081 . C408 . H4082 . 105.6 no
O407 . C408 . H4083 . 117.7 no
H4081 . C408 . H4083 . 91.8 no
H4082 . C408 . H4083 . 93.5 no
C406 . C409 . C410 . 120.00(3) yes
C406 . C409 . H4091 . 109.9 no
C410 . C409 . H4091 . 130.1 no
C409 . C410 . C403 . 120.00(3) yes
C409 . C410 . H4101 . 120.1 no
C403 . C410 . H4101 . 119.9 no
C412 . N411 . C416 . 113(2) yes
N411 . C412 . C413 . 126(3) yes
N411 . C412 . H4121 . 111.9 no
C413 . C412 . H4121 . 120.4 no
C412 . C413 . C414 . 119(3) yes
C412 . C413 . H4131 . 115.2 no
C414 . C413 . H4131 . 122.7 no
C413 . C414 . C415 . 116(3) yes
C413 . C414 . H4141 . 122.7 no
C415 . C414 . H4141 . 121.1 no
C414 . C415 . C416 . 119(3) yes
C414 . C415 . H4151 . 121.7 no
C416 . C415 . H4151 . 119.4 no
C415 . C416 . N411 . 126(2) yes
C415 . C416 . H4161 . 119.4 no
N411 . C416 . H4161 . 114.7 no
C418 . N417 . C422 . 113.13(6) yes
N417 . C418 . C419 . 124.97(6) yes
N417 . C418 . H4181 . 113.0 no
C419 . C418 . H4181 . 122.0 no
C418 . C419 . C420 . 119.53(6) yes
C418 . C419 . H4191 . 123.7 no
C420 . C419 . H4191 . 116.7 no
C419 . C420 . C421 . 117.87(6) yes
C419 . C420 . H4201 . 119.3 no
C421 . C420 . H4201 . 122.2 no
C420 . C421 . C422 . 119.53(6) yes
C420 . C421 . H4211 . 120.0 no
C422 . C421 . H4211 . 120.5 no
C421 . C422 . N417 . 124.96(6) yes
C421 . C422 . H4221 . 118.7 no
N417 . C422 . H4221 . 116.1 no
C424 . N423 . C428 . 110.7(20) yes
N423 . C424 . C425 . 126(2) yes
N423 . C424 . H4241 . 117.5 no
C425 . C424 . H4241 . 116.8 no
C424 . C425 . C426 . 121(2) yes
C424 . C425 . H4251 . 121.3 no
C426 . C425 . H4251 . 117.2 no
C425 . C426 . C427 . 117.0(20) yes
C425 . C426 . H4261 . 123.0 no
C427 . C426 . H4261 . 119.9 no
C426 . C427 . C428 . 116(2) yes
C426 . C427 . H4271 . 121.2 no
C428 . C427 . H4271 . 122.4 no
C427 . C428 . N423 . 129(2) yes
C427 . C428 . H4281 . 116.1 no
N423 . C428 . H4281 . 114.7 no
C430 . N429 . C434 . 108(2) yes
N429 . C430 . C431 . 129(3) yes
N429 . C430 . H4301 . 115.8 no
C431 . C430 . H4301 . 115.5 no
C430 . C431 . C432 . 120(3) yes
C430 . C431 . H4311 . 122.1 no
C432 . C431 . H4311 . 118.1 no
C431 . C432 . C433 . 115(2) yes
C431 . C432 . H4321 . 122.5 no
C433 . C432 . H4321 . 122.7 no
C432 . C433 . C434 . 123(3) yes
C432 . C433 . H4331 . 118.6 no
C434 . C433 . H4331 . 117.7 no
C433 . C434 . N429 . 125(3) yes
C433 . C434 . H4341 . 118.2 no
N429 . C434 . H4341 . 116.2 no
C436 . N435 . C440 . 115(2) yes
N435 . C436 . C437 . 124(2) yes
N435 . C436 . H4361 . 117.5 no
C437 . C436 . H4361 . 118.8 no
C436 . C437 . C438 . 119(2) yes
C436 . C437 . H4371 . 120.4 no
C438 . C437 . H4371 . 121.1 no
C437 . C438 . C439 . 119(2) yes
C437 . C438 . H4381 . 122.2 no
C439 . C438 . H4381 . 118.4 no
C438 . C439 . C440 . 116(2) yes
C438 . C439 . H4391 . 119.7 no
C440 . C439 . H4391 . 124.0 no
C439 . C440 . N435 . 127(3) yes
C439 . C440 . H4401 . 113.7 no
N435 . C440 . H4401 . 118.9 no
C442 . N441 . C446 . 115(2) yes
N441 . C442 . C443 . 126(2) yes
N441 . C442 . H4421 . 119.9 no
C443 . C442 . H4421 . 114.2 no
C442 . C443 . C444 . 116(2) yes
C442 . C443 . H4431 . 122.3 no
C444 . C443 . H4431 . 121.3 no
C443 . C444 . C445 . 121(2) yes
C443 . C444 . H4441 . 116.3 no
C445 . C444 . H4441 . 122.8 no
C444 . C445 . C446 . 116(2) yes
C444 . C445 . H4451 . 123.7 no
C446 . C445 . H4451 . 120.2 no
C445 . C446 . N441 . 126(3) yes
C445 . C446 . H4461 . 121.9 no
N441 . C446 . H4461 . 111.2 no
C448 . N447 . C452 . 106.90(6) yes
N447 . C448 . C449 . 124.33(6) yes
N447 . C448 . H4481 . 119.5 no
C449 . C448 . H4481 . 116.1 no
C448 . C449 . C450 . 124.11(6) yes
C448 . C449 . H4491 . 120.4 no
C450 . C449 . H4491 . 115.5 no
C449 . C450 . C451 . 116.22(6) yes
C449 . C450 . H4501 . 124.7 no
C451 . C450 . H4501 . 119.0 no
C450 . C451 . C452 . 124.11(6) yes
C450 . C451 . H4511 . 119.7 no
C452 . C451 . H4511 . 116.2 no
N447 . C452 . C451 . 124.33(6) yes
N447 . C452 . H4521 . 116.9 no
C451 . C452 . H4521 . 118.7 no
C454 . N453 . C458 . 115.21(6) yes
N453 . C454 . C455 . 124.31(6) yes
N453 . C454 . H4541 . 118.2 no
C455 . C454 . H4541 . 117.3 no
C454 . C455 . C456 . 105.44(6) yes
C454 . C455 . H4551 . 127.5 no
C456 . C455 . H4551 . 126.7 no
C455 . C456 . C457 . 145.28(6) yes
C455 . C456 . H4561 . 106.6 no
C457 . C456 . H4561 . 108.1 no
C456 . C457 . C458 . 105.44(6) yes
C456 . C457 . H4571 . 123.6 no
C458 . C457 . H4571 . 130.8 no
N453 . C458 . C457 . 124.31(6) yes
N453 . C458 . H4581 . 122.3 no
C457 . C458 . H4581 . 113.4 no
C460 . N459 . C464 . 106.07(6) yes
N459 . C460 . C461 . 131.91(6) yes
N459 . C460 . H4601 . 102.0 no
C461 . C460 . H4601 . 126.1 no
C460 . C461 . C462 . 111.17(6) yes
C460 . C461 . H4611 . 124.3 no
C462 . C461 . H4611 . 124.1 no
C461 . C462 . C463 . 127.79(6) yes
C461 . C462 . H4621 . 124.0 no
C463 . C462 . H4621 . 108.2 no
C462 . C463 . C464 . 111.16(6) yes
C462 . C463 . H4631 . 135.0 no
C464 . C463 . H4631 . 113.8 no
N459 . C464 . C463 . 131.90(6) yes
N459 . C464 . H4641 . 100.0 no
C463 . C464 . H4641 . 128.0 no
C466 . N465 . C470 . 107.82(6) yes
N465 . C466 . C467 . 133.68(6) yes
N465 . C466 . H4661 . 112.4 no
C467 . C466 . H4661 . 113.9 no
C466 . C467 . C468 . 106.99(6) yes
C466 . C467 . H4671 . 124.5 no
C468 . C467 . H4671 . 128.5 no
C467 . C468 . C469 . 130.84(6) yes
C467 . C468 . H4681 . 113.1 no
C469 . C468 . H4681 . 116.1 no
C468 . C469 . C470 . 106.99(6) yes
C468 . C469 . H4691 . 125.6 no
C470 . C469 . H4691 . 127.4 no
C469 . C470 . N465 . 133.68(6) yes
C469 . C470 . H4701 . 113.6 no
N465 . C470 . H4701 . 112.7 no
C472 . N471 . C476 . 116.74(6) yes
N471 . C472 . C473 . 113.58(6) yes
N471 . C472 . H4721 . 122.2 no
C473 . C472 . H4721 . 124.2 no
C472 . C473 . C474 . 136.33(6) yes
C472 . C473 . H4731 . 113.1 no
C474 . C473 . H4731 . 110.0 no
C473 . C474 . C475 . 103.44(6) yes
C473 . C474 . H4741 . 128.4 no
C475 . C474 . H4741 . 125.9 no
C474 . C475 . C476 . 136.33(6) yes
C474 . C475 . H4751 . 113.0 no
C476 . C475 . H4751 . 109.3 no
N471 . C476 . C475 . 113.59(6) yes
N471 . C476 . H4761 . 121.9 no
C475 . C476 . H4761 . 124.1 no
O149 . C477 . H4771 . 93.8 no
O149 . C477 . H4772 . 100.3 no
H4771 . C477 . H4772 . 100.8 no
O149 . C477 . H4773 . 146.3 no
H4771 . C477 . H4773 . 90.3 no
H4772 . C477 . H4773 . 111.8 no
O182 . C600 . H6001 . 109.6 no
O182 . C600 . H6002 . 109.3 no
H6001 . C600 . H6002 . 109.5 no
O182 . C600 . H6003 . 109.5 no
H6001 . C600 . H6003 . 109.5 no
H6002 . C600 . H6003 . 109.5 no
O351 . C579 . H5791 . 106.6 no
O351 . C579 . H5792 . 107.4 no
H5791 . C579 . H5792 . 109.5 no
O351 . C579 . H5793 . 114.3 no
H5791 . C579 . H5793 . 109.5 no
H5792 . C579 . H5793 . 109.5 no
O307 . C1 . H11 . 116.0 no
O307 . C1 . H12 . 98.6 no
H11 . C1 . H12 . 115.4 no
O307 . C1 . H13 . 110.7 no
H11 . C1 . H13 . 107.3 no
H12 . C1 . H13 . 108.5 no
O284 . C221 . H2211 . 131.3 no
O284 . C221 . H2212 . 119.0 no
H2211 . C221 . H2212 . 92.7 no
O284 . C221 . H2213 . 114.9 no
H2211 . C221 . H2213 . 94.0 no
H2212 . C221 . H2213 . 97.8 no
O32 . C2 . H21 . 107.8 no
O32 . C2 . H22 . 108.3 no
H21 . C2 . H22 . 102.5 no
O32 . C2 . H23 . 117.9 no
H21 . C2 . H23 . 110.6 no
H22 . C2 . H23 . 108.7 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ce1 . Ce3 . 3.7482(12) yes
Ce1 . Ce4 . 3.7624(13) yes
Ce1 . O5 . 2.280(11) yes
Ce1 . Ce55 . 3.7342(13) yes
Ce1 . Ce56 . 3.7405(13) yes
Ce1 . O58 . 2.422(11) yes
Ce1 . O185 . 2.222(9) yes
Ce1 . O188 . 2.449(11) yes
Ce1 . O220 . 2.205(10) yes
Ce1 . O223 . 2.440(14) yes
Ce1 . C390 . 3.20(4) yes
Ce1 . O391 . 2.346(16) yes
Ce1 . O402 . 2.42(2) yes
Ce2 . Ce3 . 3.7426(13) yes
Ce2 . Ce4 . 3.7827(12) yes
Ce2 . O5 . 2.324(11) yes
Ce2 . Ce22 . 3.7454(13) yes
Ce2 . Ce114 . 3.7476(13) yes
Ce2 . O129 . 2.459(11) yes
Ce2 . O141 . 2.211(10) yes
Ce2 . O144 . 2.412(13) yes
Ce2 . O288 . 2.164(10) yes
Ce2 . O291 . 2.483(13) yes
Ce2 . O389 . 2.397(15) yes
Ce2 . O400 . 2.441(17) yes
Ce3 . O5 . 2.373(11) yes
Ce3 . Ce6 . 3.8321(11) yes
Ce3 . Ce7 . 3.8416(12) yes
Ce3 . O8 . 2.334(9) yes
Ce3 . Ce23 . 3.7607(12) yes
Ce3 . O24 . 2.359(10) yes
Ce3 . Ce48 . 3.7468(12) yes
Ce3 . O50 . 2.307(10) yes
Ce3 . O208 . 2.348(10) yes
Ce3 . O220 . 2.305(10) yes
Ce3 . O288 . 2.307(10) yes
Ce3 . N383 . 2.666(14) yes
Ce4 . O5 . 2.381(11) yes
Ce4 . Ce6 . 3.8336(12) yes
Ce4 . Ce7 . 3.8181(12) yes
Ce4 . O8 . 2.325(10) yes
Ce4 . Ce60 . 3.7927(12) yes
Ce4 . O99 . 2.357(10) yes
Ce4 . Ce111 . 3.7583(12) yes
Ce4 . O113 . 2.303(10) yes
Ce4 . O116 . 2.345(11) yes
Ce4 . O141 . 2.314(10) yes
Ce4 . O185 . 2.264(10) yes
Ce4 . N377 . 2.653(9) yes
Ce6 . O8 . 2.346(9) yes
Ce6 . Ce9 . 3.8299(11) yes
Ce6 . Ce10 . 3.8240(12) yes
Ce6 . O11 . 2.354(10) yes
Ce6 . Ce51 . 3.7189(12) yes
Ce6 . O52 . 2.323(10) yes
Ce6 . Ce55 . 3.7283(11) yes
Ce6 . Ce56 . 3.7249(11) yes
Ce6 . O57 . 2.315(9) yes
Ce6 . Ce61 . 3.7346(11) yes
Ce6 . O62 . 2.318(9) yes
Ce6 . O74 . 2.337(10) yes
Ce6 . O99 . 2.318(10) yes
Ce6 . O208 . 2.307(10) yes
Ce7 . O8 . 2.341(9) yes
Ce7 . Ce9 . 3.8304(12) yes
Ce7 . Ce10 . 3.8323(12) yes
Ce7 . O11 . 2.352(10) yes
Ce7 . Ce15 . 3.7193(12) yes
Ce7 . Ce17 . 3.7328(12) yes
Ce7 . O20 . 2.319(10) yes
Ce7 . Ce22 . 3.7294(11) yes
Ce7 . O24 . 2.318(10) yes
Ce7 . O36 . 2.312(10) yes
Ce7 . Ce114 . 3.7408(12) yes
Ce7 . O116 . 2.294(10) yes
Ce7 . O128 . 2.321(10) yes
Ce7 . O152 . 2.316(10) yes
Ce9 . O11 . 2.314(10) yes
Ce9 . Ce12 . 3.7492(13) yes
Ce9 . Ce13 . 3.7515(13) yes
Ce9 . O14 . 2.352(12) yes
Ce9 . Ce23 . 3.7657(12) yes
Ce9 . O36 . 2.355(10) yes
Ce9 . Ce48 . 3.7523(12) yes
Ce9 . O49 . 2.278(11) yes
Ce9 . O52 . 2.360(10) yes
Ce9 . O254 . 2.319(11) yes
Ce9 . O321 . 2.314(12) yes
Ce9 . N371 . 2.635(12) yes
Ce10 . O11 . 2.321(10) yes
Ce10 . Ce12 . 3.7726(13) yes
Ce10 . Ce13 . 3.7466(14) yes
Ce10 . O14 . 2.359(12) yes
Ce10 . O16 . 2.260(12) yes
Ce10 . Ce60 . 3.7481(12) yes
Ce10 . O62 . 2.321(9) yes
Ce10 . O87 . 2.298(11) yes
Ce10 . Ce111 . 3.7707(13) yes
Ce10 . O112 . 2.279(11) yes
Ce10 . O152 . 2.350(10) yes
Ce10 . N365 . 2.674(15) yes
Ce12 . O14 . 2.313(11) yes
Ce12 . Ce51 . 3.7327(13) yes
Ce12 . Ce61 . 3.7498(13) yes
Ce12 . O86 . 2.453(11) yes
Ce12 . O87 . 2.192(11) yes
Ce12 . O90 . 2.517(12) yes
Ce12 . O254 . 2.182(12) yes
Ce12 . O257 . 2.430(15) yes
Ce12 . O346 . 2.410(19) yes
Ce12 . O354 . 3.16(4) yes
Ce12 . C355 . 3.17(4) yes
Ce12 . O356 . 2.396(18) yes
Ce13 . O14 . 2.312(11) yes
Ce13 . Ce15 . 3.7398(15) yes
Ce13 . O16 . 2.193(12) yes
Ce13 . Ce17 . 3.7470(14) yes
Ce13 . O18 . 2.457(12) yes
Ce13 . O321 . 2.187(12) yes
Ce13 . O324 . 2.476(14) yes
Ce13 . O335 . 2.425(17) yes
Ce13 . O344 . 2.41(2) yes
Ce13 . C345 . 3.21(4) yes
Ce13 . O346 . 3.24(4) yes
Ce13 . O354 . 2.48(2) yes
Ce15 . O16 . 2.238(12) yes
Ce15 . O18 . 2.378(12) yes
Ce15 . Ce19 . 3.7387(13) yes
Ce15 . O20 . 2.249(11) yes
Ce15 . Ce111 . 3.7445(13) yes
Ce15 . O115 . 2.684(13) yes
Ce15 . O152 . 2.273(9) yes
Ce15 . O153 . 2.557(12) yes
Ce15 . C154 . 2.906(19) yes
Ce15 . O155 . 2.548(13) yes
Ce15 . O310 . 2.368(13) yes
Ce15 . O333 . 2.387(14) yes
Ce17 . O18 . 2.366(11) yes
Ce17 . Ce19 . 3.7729(14) yes
Ce17 . O20 . 2.245(11) yes
Ce17 . O21 . 2.711(11) yes
Ce17 . Ce23 . 3.7353(13) yes
Ce17 . O36 . 2.277(10) yes
Ce17 . O37 . 2.444(11) yes
Ce17 . O300 . 2.586(14) yes
Ce17 . C301 . 2.99(2) yes
Ce17 . O302 . 2.573(12) yes
Ce17 . O321 . 2.204(12) yes
Ce17 . O322 . 2.326(12) yes
O18 . H181 . 0.948 no
Ce19 . O20 . 2.429(11) yes
Ce19 . O21 . 2.851(11) yes
Ce19 . Ce22 . 3.7625(13) yes
Ce19 . Ce114 . 3.7667(13) yes
Ce19 . O115 . 2.774(11) yes
Ce19 . O128 . 2.400(9) yes
Ce19 . O130 . 2.497(12) yes
Ce19 . O277 . 2.662(12) yes
Ce19 . C278 . 3.00(2) yes
Ce19 . O279 . 2.522(14) yes
Ce19 . O300 . 2.499(13) yes
Ce19 . O310 . 2.670(12) yes
Ce19 . C311 . 3.00(3) yes
Ce19 . O312 . 2.516(14) yes
O21 . Ce22 . 2.611(12) yes
O21 . Ce23 . 2.769(11) yes
Ce22 . Ce23 . 3.7151(13) yes
Ce22 . O24 . 2.282(10) yes
Ce22 . O25 . 2.555(12) yes
Ce22 . C26 . 2.93(2) yes
Ce22 . O27 . 2.575(12) yes
Ce22 . O128 . 2.257(10) yes
Ce22 . O129 . 2.372(11) yes
Ce22 . O277 . 2.389(12) yes
Ce22 . O288 . 2.252(10) yes
Ce22 . O289 . 2.350(11) yes
Ce23 . O24 . 2.266(10) yes
Ce23 . O25 . 2.467(12) yes
Ce23 . O36 . 2.275(10) yes
Ce23 . O37 . 2.590(11) yes
Ce23 . C38 . 2.874(17) yes
Ce23 . O39 . 2.533(11) yes
Ce23 . O49 . 2.209(12) yes
Ce23 . O50 . 2.230(10) yes
Ce23 . O268 . 2.378(12) yes
O25 . C26 . 1.31(2) yes
C26 . O27 . 1.27(3) yes
C26 . C28 . 1.46(2) yes
C28 . C29 . 1.383(3) yes
C28 . C35 . 1.383(3) yes
C29 . C30 . 1.383(3) yes
C29 . H291 . 0.932 no
C30 . C31 . 1.383(3) yes
C30 . H301 . 0.934 no
C31 . O32 . 1.379(7) yes
C31 . C34 . 1.383(3) yes
O32 . C2 . 1.39(3) yes
C34 . C35 . 1.383(3) yes
C34 . H341 . 0.960 no
C35 . H351 . 0.973 no
O37 . C38 . 1.31(2) yes
C38 . O39 . 1.22(2) yes
C38 . C40 . 1.55(2) yes
C40 . C41 . 1.30(3) yes
C40 . C47 . 1.41(3) yes
C41 . C42 . 1.34(3) yes
C41 . H411 . 0.938 no
C42 . C43 . 1.31(3) yes
C42 . H421 . 0.907 no
C43 . O44 . 1.35(2) yes
C43 . C46 . 1.41(4) yes
O44 . C45 . 1.44(4) yes
C45 . H451 . 0.949 no
C45 . H452 . 0.921 no
C45 . H453 . 0.973 no
C46 . C47 . 1.41(3) yes
C46 . H461 . 0.929 no
C47 . H471 . 0.955 no
Ce48 . O49 . 2.232(11) yes
Ce48 . O50 . 2.217(10) yes
Ce48 . Ce51 . 3.7453(12) yes
Ce48 . O52 . 2.276(10) yes
Ce48 . O53 . 2.857(12) yes
Ce48 . Ce55 . 3.7653(12) yes
Ce48 . O208 . 2.281(10) yes
Ce48 . O209 . 2.616(12) yes
Ce48 . C210 . 2.906(18) yes
Ce48 . O211 . 2.519(11) yes
Ce48 . O243 . 2.454(12) yes
Ce48 . O266 . 2.398(11) yes
Ce51 . O52 . 2.260(10) yes
Ce51 . O53 . 2.659(12) yes
Ce51 . Ce54 . 3.7595(12) yes
Ce51 . O74 . 2.243(10) yes
Ce51 . O86 . 2.354(11) yes
Ce51 . O232 . 2.371(11) yes
Ce51 . O243 . 2.572(12) yes
Ce51 . C244 . 2.89(2) yes
Ce51 . O245 . 2.539(12) yes
Ce51 . O254 . 2.216(12) yes
Ce51 . O255 . 2.383(13) yes
O53 . Ce54 . 2.796(12) yes
O53 . Ce55 . 2.675(12) yes
Ce54 . Ce55 . 3.7549(13) yes
Ce54 . Ce56 . 3.7739(12) yes
Ce54 . O57 . 2.408(10) yes
Ce54 . O59 . 2.827(11) yes
Ce54 . Ce61 . 3.7613(12) yes
Ce54 . O74 . 2.412(9) yes
Ce54 . O75 . 2.520(12) yes
Ce54 . O175 . 2.683(12) yes
Ce54 . C176 . 3.02(2) yes
Ce54 . O177 . 2.522(11) yes
Ce54 . O197 . 2.510(11) yes
Ce54 . O232 . 2.673(11) yes
Ce54 . C233 . 3.00(2) yes
Ce54 . O234 . 2.527(12) yes
Ce55 . O57 . 2.260(10) yes
Ce55 . O58 . 2.414(11) yes
Ce55 . O197 . 2.573(11) yes
Ce55 . C198 . 2.971(17) yes
Ce55 . O199 . 2.551(12) yes
Ce55 . O208 . 2.295(10) yes
Ce55 . O209 . 2.443(11) yes
Ce55 . O220 . 2.194(11) yes
Ce55 . O221 . 2.365(13) yes
Ce56 . O57 . 2.269(10) yes
Ce56 . O58 . 2.378(11) yes
Ce56 . O59 . 2.692(11) yes
Ce56 . Ce60 . 3.7361(12) yes
Ce56 . O99 . 2.272(10) yes
Ce56 . O100 . 2.557(10) yes
Ce56 . C101 . 2.895(18) yes
Ce56 . O102 . 2.553(11) yes
Ce56 . O175 . 2.375(12) yes
Ce56 . O185 . 2.226(10) yes
Ce56 . O186 . 2.338(12) yes
O58 . H581 . 0.963 no
O59 . Ce60 . 2.775(12) yes
O59 . Ce61 . 2.674(11) yes
Ce60 . Ce61 . 3.7335(12) yes
Ce60 . O62 . 2.287(9) yes
Ce60 . O63 . 2.606(11) yes
Ce60 . C64 . 2.856(17) yes
Ce60 . O65 . 2.549(11) yes
Ce60 . O99 . 2.280(11) yes
Ce60 . O100 . 2.486(11) yes
Ce60 . O112 . 2.230(11) yes
Ce60 . O113 . 2.240(10) yes
Ce60 . O166 . 2.416(11) yes
Ce61 . O62 . 2.281(9) yes
Ce61 . O63 . 2.435(10) yes
Ce61 . O74 . 2.256(10) yes
Ce61 . O75 . 2.552(11) yes
Ce61 . C76 . 2.944(17) yes
Ce61 . O77 . 2.597(11) yes
Ce61 . O86 . 2.398(11) yes
Ce61 . O87 . 2.205(11) yes
Ce61 . O88 . 2.348(12) yes
O63 . C64 . 1.29(2) yes
C64 . O65 . 1.219(19) yes
C64 . C66 . 1.49(2) yes
C66 . C67 . 1.43(2) yes
C66 . C73 . 1.39(2) yes
C67 . C68 . 1.33(2) yes
C67 . H671 . 0.944 no
C68 . C69 . 1.41(3) yes
C68 . H681 . 0.961 no
C69 . O70 . 1.35(2) yes
C69 . C72 . 1.42(3) yes
O70 . C71 . 1.39(2) yes
C71 . H711 . 0.955 no
C71 . H712 . 0.958 no
C71 . H713 . 0.958 no
C72 . C73 . 1.35(2) yes
C72 . H721 . 0.952 no
C73 . H731 . 0.966 no
O75 . C76 . 1.30(2) yes
C76 . O77 . 1.22(2) yes
C76 . C78 . 1.47(2) yes
C78 . C79 . 1.44(2) yes
C78 . C85 . 1.35(3) yes
C79 . C80 . 1.36(3) yes
C79 . H791 . 0.968 no
C80 . C81 . 1.36(4) yes
C80 . H801 . 0.957 no
C81 . O82 . 1.37(3) yes
C81 . C84 . 1.41(4) yes
O82 . C83 . 1.49(4) yes
C83 . H831 . 0.905 no
C83 . H832 . 0.907 no
C83 . H833 . 0.919 no
C84 . C85 . 1.40(3) yes
C84 . H841 . 0.988 no
C85 . H851 . 0.920 no
O86 . H861 . 0.956 no
O88 . C89 . 1.27(2) yes
C89 . O90 . 1.24(2) yes
C89 . C91 . 1.47(2) yes
C91 . C92 . 1.39(3) yes
C91 . C98 . 1.38(3) yes
C92 . C93 . 1.39(3) yes
C92 . H921 . 0.936 no
C93 . C94 . 1.35(3) yes
C93 . H931 . 0.922 no
C94 . O95 . 1.37(2) yes
C94 . C97 . 1.41(3) yes
O95 . C96 . 1.43(3) yes
C96 . H961 . 0.988 no
C96 . H962 . 0.897 no
C96 . H963 . 1.005 no
C97 . C98 . 1.36(3) yes
C97 . H971 . 0.904 no
C98 . H981 . 0.945 no
O100 . C101 . 1.31(2) yes
C101 . O102 . 1.23(2) yes
C101 . C103 . 1.48(2) yes
C103 . C104 . 1.36(2) yes
C103 . C110 . 1.44(2) yes
C104 . C105 . 1.40(2) yes
C104 . H1041 . 0.945 no
C105 . C106 . 1.39(3) yes
C105 . H1051 . 0.931 no
C106 . O107 . 1.41(2) yes
C106 . C109 . 1.37(3) yes
O107 . C108 . 1.41(3) yes
C108 . H1081 . 0.915 no
C108 . H1082 . 0.969 no
C108 . H1083 . 0.929 no
C109 . C110 . 1.35(2) yes
C109 . H1091 . 0.942 no
C110 . H1101 . 0.958 no
Ce111 . O112 . 2.257(11) yes
Ce111 . O113 . 2.193(10) yes
Ce111 . Ce114 . 3.7718(13) yes
Ce111 . O115 . 2.834(11) yes
Ce111 . O116 . 2.283(11) yes
Ce111 . O117 . 2.596(12) yes
Ce111 . C118 . 2.908(19) yes
Ce111 . O119 . 2.528(12) yes
Ce111 . O152 . 2.282(11) yes
Ce111 . O153 . 2.458(12) yes
Ce111 . O164 . 2.404(11) yes
Ce114 . O115 . 2.715(12) yes
Ce114 . O116 . 2.303(10) yes
Ce114 . O117 . 2.461(11) yes
Ce114 . O128 . 2.275(10) yes
Ce114 . O129 . 2.398(11) yes
Ce114 . O130 . 2.600(11) yes
Ce114 . C131 . 2.947(17) yes
Ce114 . O132 . 2.536(12) yes
Ce114 . O141 . 2.184(10) yes
Ce114 . O142 . 2.426(12) yes
O117 . C118 . 1.27(2) yes
C118 . O119 . 1.26(2) yes
C118 . C120 . 1.47(3) yes
C120 . C121 . 1.35(3) yes
C120 . C127 . 1.36(3) yes
C121 . C122 . 1.37(3) yes
C121 . H1211 . 0.937 no
C122 . C123 . 1.41(3) yes
C122 . H1221 . 0.952 no
C123 . O124 . 1.40(3) yes
C123 . C126 . 1.31(3) yes
O124 . C125 . 1.43(3) yes
C125 . H1251 . 0.921 no
C125 . H1252 . 0.968 no
C125 . H1253 . 0.967 no
C126 . C127 . 1.46(3) yes
C127 . H1271 . 0.952 no
O129 . H1291 . 0.964 no
O130 . C131 . 1.33(2) yes
C131 . O132 . 1.24(2) yes
C131 . C133 . 1.42(2) yes
C133 . C134 . 1.47(3) yes
C133 . C140 . 1.32(3) yes
C134 . C135 . 1.39(3) yes
C134 . H1341 . 0.936 no
C135 . C136 . 1.32(3) yes
C135 . H1351 . 0.951 no
C136 . O137 . 1.35(2) yes
C136 . C139 . 1.37(3) yes
O137 . C138 . 1.40(3) yes
C138 . H1381 . 0.935 no
C138 . H1382 . 0.982 no
C138 . H1383 . 0.984 no
C139 . C140 . 1.43(3) yes
C139 . H1391 . 0.958 no
C140 . H1401 . 0.953 no
O142 . C143 . 1.26(2) yes
C143 . O144 . 1.29(2) yes
C143 . C145 . 1.53(3) yes
C145 . C146 . 1.32(3) yes
C145 . C151 . 1.36(3) yes
C146 . C147 . 1.35(3) yes
C146 . H1461 . 0.922 no
C147 . C148 . 1.48(4) yes
C147 . H1471 . 0.938 no
C148 . O149 . 1.48(4) yes
C148 . C150 . 1.31(4) yes
O149 . C477 . 1.475(10) yes
C150 . C151 . 1.38(3) yes
C150 . H1501 . 0.986 no
C151 . H1511 . 0.917 no
O153 . C154 . 1.29(2) yes
C154 . O155 . 1.25(2) yes
C154 . C156 . 1.49(2) yes
C156 . C157 . 1.36(3) yes
C156 . C163 . 1.41(3) yes
C157 . C158 . 1.36(3) yes
C157 . H1571 . 0.947 no
C158 . C159 . 1.37(3) yes
C158 . H1581 . 0.954 no
C159 . O160 . 1.33(3) yes
C159 . C162 . 1.36(3) yes
O160 . C161 . 1.45(3) yes
C161 . H1611 . 0.954 no
C161 . H1612 . 0.849 no
C161 . H1613 . 1.070 no
C162 . C163 . 1.35(3) yes
C162 . H1621 . 0.960 no
C163 . H1631 . 0.969 no
O164 . C165 . 1.27(2) yes
C165 . O166 . 1.27(2) yes
C165 . C167 . 1.45(2) yes
C167 . C168 . 1.41(2) yes
C167 . C174 . 1.40(2) yes
C168 . C169 . 1.38(2) yes
C168 . H1681 . 0.971 no
C169 . C170 . 1.43(3) yes
C169 . H1691 . 0.960 no
C170 . O171 . 1.34(2) yes
C170 . C173 . 1.39(3) yes
O171 . C172 . 1.45(2) yes
C172 . H1721 . 0.932 no
C172 . H1722 . 0.955 no
C172 . H1723 . 1.000 no
C173 . C174 . 1.39(2) yes
C173 . H1731 . 0.955 no
C174 . H1741 . 0.933 no
O175 . C176 . 1.27(2) yes
C176 . O177 . 1.26(2) yes
C176 . C178 . 1.45(2) yes
C178 . C179 . 1.385(3) yes
C178 . C184 . 1.384(3) yes
C179 . C180 . 1.385(3) yes
C179 . H1791 . 0.932 no
C180 . C181 . 1.384(3) yes
C180 . H1801 . 0.916 no
C181 . O182 . 1.442(6) yes
C181 . C183 . 1.386(3) yes
O182 . C600 . 1.454(9) yes
C183 . C184 . 1.385(3) yes
C183 . H1831 . 0.952 no
C184 . H1841 . 0.963 no
O186 . C187 . 1.27(2) yes
C187 . O188 . 1.31(2) yes
C187 . C189 . 1.48(2) yes
C189 . C190 . 1.33(2) yes
C189 . C196 . 1.39(2) yes
C190 . C191 . 1.39(2) yes
C190 . H1901 . 0.959 no
C191 . C192 . 1.40(3) yes
C191 . H1911 . 0.946 no
C192 . O193 . 1.36(2) yes
C192 . C195 . 1.37(3) yes
O193 . C194 . 1.41(2) yes
C194 . H1941 . 0.997 no
C194 . H1942 . 0.924 no
C194 . H1943 . 0.929 no
C195 . C196 . 1.35(2) yes
C195 . H1951 . 0.959 no
C196 . H1961 . 0.936 no
O197 . C198 . 1.29(2) yes
C198 . O199 . 1.25(2) yes
C198 . C200 . 1.44(2) yes
C200 . C201 . 1.42(2) yes
C200 . C207 . 1.41(2) yes
C201 . C202 . 1.37(3) yes
C201 . H2011 . 0.943 no
C202 . C203 . 1.35(3) yes
C202 . H2021 . 0.938 no
C203 . O204 . 1.35(3) yes
C203 . C206 . 1.41(3) yes
O204 . C205 . 1.39(4) yes
C205 . H2051 . 0.877 no
C205 . H2052 . 0.940 no
C205 . H2053 . 1.062 no
C206 . C207 . 1.34(3) yes
C206 . H2061 . 0.942 no
C207 . H2071 . 0.947 no
O209 . C210 . 1.30(2) yes
C210 . O211 . 1.24(2) yes
C210 . C212 . 1.49(2) yes
C212 . C213 . 1.41(3) yes
C212 . C219 . 1.40(3) yes
C213 . C214 . 1.36(3) yes
C213 . H2131 . 0.930 no
C214 . C215 . 1.36(3) yes
C214 . H2141 . 0.944 no
C215 . O216 . 1.40(2) yes
C215 . C218 . 1.42(3) yes
O216 . C217 . 1.39(3) yes
C217 . H2171 . 0.945 no
C217 . H2172 . 0.943 no
C217 . H2173 . 0.921 no
C218 . C219 . 1.36(3) yes
C218 . H2181 . 0.962 no
C219 . H2191 . 0.940 no
O221 . C222 . 1.30(2) yes
C222 . O223 . 1.25(2) yes
C222 . C224 . 1.51(3) yes
C224 . C225 . 1.27(3) yes
C224 . C231 . 1.38(3) yes
C225 . C226 . 1.36(3) yes
C225 . H2251 . 0.999 no
C226 . C227 . 1.25(4) yes
C226 . H2261 . 1.010 no
C227 . O228 . 1.34(3) yes
C227 . C230 . 1.40(5) yes
O228 . C229 . 1.28(4) yes
C229 . H2291 . 0.937 no
C229 . H2292 . 1.039 no
C229 . H2293 . 1.016 no
C230 . C231 . 1.37(4) yes
C230 . H2301 . 0.993 no
C231 . H2311 . 0.905 no
O232 . C233 . 1.28(2) yes
C233 . O234 . 1.28(2) yes
C233 . C235 . 1.40(3) yes
C235 . C236 . 1.43(3) yes
C235 . C242 . 1.45(3) yes
C236 . C237 . 1.41(3) yes
C236 . H2361 . 0.964 no
C237 . C238 . 1.37(3) yes
C237 . H2371 . 0.947 no
C238 . O239 . 1.41(2) yes
C238 . C241 . 1.35(3) yes
O239 . C240 . 1.35(3) yes
C240 . H2401 . 0.967 no
C240 . H2402 . 0.972 no
C240 . H2403 . 0.967 no
C241 . C242 . 1.41(3) yes
C241 . H2411 . 0.962 no
C242 . H2421 . 0.936 no
O243 . C244 . 1.27(2) yes
C244 . O245 . 1.26(2) yes
C244 . C246 . 1.48(3) yes
C246 . C247 . 1.44(3) yes
C246 . C253 . 1.39(3) yes
C247 . C248 . 1.36(3) yes
C247 . H2471 . 0.958 no
C248 . C249 . 1.36(3) yes
C248 . H2481 . 0.931 no
C249 . O250 . 1.37(2) yes
C249 . C252 . 1.41(3) yes
O250 . C251 . 1.45(3) yes
C251 . H2511 . 0.912 no
C251 . H2512 . 0.931 no
C251 . H2513 . 0.989 no
C252 . C253 . 1.41(3) yes
C252 . H2521 . 0.951 no
C253 . H2531 . 0.952 no
O255 . C256 . 1.27(2) yes
C256 . O257 . 1.24(2) yes
C256 . C258 . 1.52(3) yes
C258 . C259 . 1.38(3) yes
C258 . C265 . 1.37(3) yes
C259 . C260 . 1.44(3) yes
C259 . H2591 . 0.920 no
C260 . C261 . 1.34(4) yes
C260 . H2601 . 0.971 no
C261 . O262 . 1.34(4) yes
C261 . C264 . 1.34(4) yes
O262 . C263 . 0.92(6) yes
C263 . H2631 . 1.054 no
C263 . H2632 . 0.994 no
C263 . H2633 . 0.826 no
C264 . C265 . 1.41(3) yes
C264 . H2641 . 0.951 no
C265 . H2651 . 0.901 no
O266 . C267 . 1.27(2) yes
C267 . O268 . 1.27(2) yes
C267 . C269 . 1.45(2) yes
C269 . C270 . 1.39(2) yes
C269 . C276 . 1.38(3) yes
C270 . C271 . 1.42(2) yes
C270 . H2701 . 0.941 no
C271 . C272 . 1.36(3) yes
C271 . H2711 . 0.954 no
C272 . O273 . 1.36(2) yes
C272 . C275 . 1.36(3) yes
O273 . C274 . 1.45(3) yes
C274 . H2741 . 0.976 no
C274 . H2742 . 0.939 no
C274 . H2743 . 1.005 no
C275 . C276 . 1.41(3) yes
C275 . H2751 . 0.930 no
C276 . H2761 . 0.949 no
O277 . C278 . 1.28(2) yes
C278 . O279 . 1.26(2) yes
C278 . C280 . 1.39(3) yes
C280 . C281 . 1.34(3) yes
C280 . C287 . 1.40(3) yes
C281 . C282 . 1.38(3) yes
C281 . H2811 . 0.944 no
C282 . C283 . 1.32(4) yes
C282 . H2821 . 0.980 no
C283 . O284 . 1.44(4) yes
C283 . C286 . 1.43(4) yes
O284 . C221 . 1.11(5) yes
C286 . C287 . 1.43(3) yes
C286 . H2861 . 0.931 no
C287 . H2871 . 0.935 no
O289 . C290 . 1.29(2) yes
C290 . O291 . 1.24(2) yes
C290 . C292 . 1.47(3) yes
C292 . C293 . 1.39(3) yes
C292 . C299 . 1.42(3) yes
C293 . C294 . 1.38(3) yes
C293 . H2931 . 0.971 no
C294 . C295 . 1.34(4) yes
C294 . H2941 . 0.950 no
C295 . O296 . 1.39(3) yes
C295 . C298 . 1.37(4) yes
O296 . C297 . 1.47(4) yes
C297 . H2971 . 0.950 no
C297 . H2972 . 0.950 no
C297 . H2973 . 0.950 no
C298 . C299 . 1.41(3) yes
C298 . H2981 . 0.978 no
C299 . H2991 . 0.985 no
O300 . C301 . 1.34(2) yes
C301 . O302 . 1.25(2) yes
C301 . C303 . 1.43(3) yes
C303 . C304 . 1.35(3) yes
C303 . C309 . 1.40(3) yes
C304 . C305 . 1.37(3) yes
C304 . H3041 . 0.941 no
C305 . C306 . 1.37(4) yes
C305 . H3051 . 0.980 no
C306 . O307 . 1.41(3) yes
C306 . C308 . 1.41(4) yes
O307 . C1 . 1.14(4) yes
C308 . C309 . 1.35(3) yes
C308 . H3081 . 0.923 no
C309 . H3091 . 0.953 no
O310 . C311 . 1.31(2) yes
C311 . O312 . 1.26(3) yes
C311 . C313 . 1.44(3) yes
C313 . C314 . 1.41(3) yes
C313 . C320 . 1.38(3) yes
C314 . C315 . 1.42(3) yes
C314 . H3141 . 0.984 no
C315 . C316 . 1.42(3) yes
C315 . H3151 . 0.966 no
C316 . O317 . 1.35(2) yes
C316 . C319 . 1.36(3) yes
O317 . C318 . 1.38(3) yes
C318 . H3181 . 0.930 no
C318 . H3182 . 0.967 no
C318 . H3183 . 0.939 no
C319 . C320 . 1.38(3) yes
C319 . H3191 . 0.918 no
C320 . H3201 . 0.954 no
O322 . C323 . 1.23(2) yes
C323 . O324 . 1.30(2) yes
C323 . C325 . 1.45(3) yes
C325 . C326 . 1.41(3) yes
C325 . C332 . 1.39(3) yes
C326 . C327 . 1.35(3) yes
C326 . H3261 . 0.942 no
C327 . C328 . 1.40(4) yes
C327 . H3271 . 0.911 no
C328 . O329 . 1.37(3) yes
C328 . C331 . 1.47(4) yes
O329 . C330 . 1.55(4) yes
C330 . H3301 . 0.946 no
C330 . H3302 . 0.909 no
C330 . H3303 . 0.904 no
C331 . C332 . 1.35(3) yes
C331 . H3311 . 0.941 no
C332 . H3321 . 0.944 no
O333 . C334 . 1.24(3) yes
C334 . O335 . 1.27(3) yes
C334 . C336 . 1.51(3) yes
C336 . C337 . 1.384(3) yes
C336 . C343 . 1.385(3) yes
C337 . C338 . 1.385(3) yes
C337 . H3371 . 0.950 no
C338 . C339 . 1.385(3) yes
C338 . H3381 . 0.949 no
C339 . O340 . 1.375(7) yes
C339 . C342 . 1.384(3) yes
O340 . C341 . 1.51(4) yes
C341 . H3411 . 0.899 no
C341 . H3412 . 1.000 no
C341 . H3413 . 0.823 no
C342 . C343 . 1.384(3) yes
C342 . H3421 . 0.954 no
C343 . H3431 . 0.954 no
O344 . C345 . 1.24(5) yes
C345 . O346 . 1.23(4) yes
C345 . C347 . 1.56(4) yes
C347 . C348 . 1.225(3) yes
C347 . C352 . 1.225(3) yes
C348 . C349 . 1.221(3) yes
C348 . H3481 . 0.969 no
C349 . C350 . 1.217(3) yes
C349 . H3491 . 0.955 no
C350 . O351 . 1.560(7) yes
C350 . C353 . 1.216(3) yes
O351 . C579 . 1.30(5) yes
C352 . C353 . 1.221(3) yes
C352 . H3521 . 0.952 no
C353 . H3531 . 0.945 no
O354 . C355 . 1.16(4) yes
C355 . O356 . 1.24(5) yes
C355 . C357 . 1.46(4) yes
C357 . C358 . 1.36(4) yes
C357 . C364 . 1.35(3) yes
C358 . C359 . 1.35(4) yes
C358 . H3581 . 0.972 no
C359 . C360 . 1.35(3) yes
C359 . H3591 . 0.940 no
C360 . O361 . 1.32(2) yes
C360 . C363 . 1.45(3) yes
O361 . C362 . 1.36(3) yes
C362 . H3621 . 0.932 no
C362 . H3622 . 0.849 no
C362 . H3623 . 0.983 no
C363 . C364 . 1.34(3) yes
C363 . H3631 . 0.963 no
C364 . H3641 . 0.941 no
N365 . C366 . 1.35(3) yes
N365 . C370 . 1.30(2) yes
C366 . C367 . 1.41(3) yes
C366 . H3661 . 0.922 no
C367 . C368 . 1.35(3) yes
C367 . H3671 . 0.924 no
C368 . C369 . 1.40(3) yes
C368 . H3681 . 0.961 no
C369 . C370 . 1.42(3) yes
C369 . H3691 . 0.914 no
C370 . H3701 . 0.922 no
N371 . C372 . 1.297(6) yes
N371 . C376 . 1.290(5) yes
C372 . C373 . 1.307(6) yes
C372 . H3721 . 0.964 no
C373 . C374 . 1.314(6) yes
C373 . H3731 . 0.997 no
C374 . C375 . 1.316(6) yes
C374 . H3741 . 0.991 no
C375 . C376 . 1.310(6) yes
C375 . H3751 . 0.951 no
C376 . H3761 . 0.916 no
N377 . C378 . 1.374(5) yes
N377 . C382 . 1.377(5) yes
C378 . C379 . 1.320(6) yes
C379 . C380 . 1.369(5) yes
C379 . H3791 . 0.945 no
C380 . C381 . 1.366(5) yes
C380 . H3801 . 0.938 no
C381 . C382 . 1.320(6) yes
C381 . H3811 . 0.947 no
C382 . H3821 . 0.928 no
N383 . C384 . 1.39(3) yes
N383 . C388 . 1.26(3) yes
C384 . C385 . 1.42(4) yes
C384 . H3841 . 0.959 no
C385 . C386 . 1.32(4) yes
C385 . H3851 . 0.948 no
C386 . C387 . 1.37(4) yes
C386 . H3861 . 0.981 no
C387 . C388 . 1.40(3) yes
C387 . H3871 . 0.940 no
C388 . H3881 . 0.971 no
O389 . C390 . 1.22(3) yes
C390 . O391 . 1.24(3) yes
C390 . C392 . 1.48(4) yes
C392 . C393 . 1.39(3) yes
C392 . C399 . 1.41(3) yes
C393 . C394 . 1.33(3) yes
C393 . H3931 . 0.975 no
C394 . C395 . 1.32(3) yes
C394 . H3941 . 0.956 no
C395 . O396 . 1.39(2) yes
C395 . C398 . 1.36(3) yes
O396 . C397 . 1.33(4) yes
C397 . H3971 . 0.934 no
C397 . H3972 . 0.964 no
C397 . H3973 . 0.982 no
C398 . C399 . 1.33(3) yes
C398 . H3981 . 0.950 no
C399 . H3991 . 0.969 no
O400 . C401 . 1.24(4) yes
C401 . O402 . 1.23(3) yes
C401 . C403 . 1.46(4) yes
C403 . C404 . 1.367(3) yes
C403 . C410 . 1.366(3) yes
C404 . C405 . 1.367(3) yes
C404 . H4041 . 0.957 no
C405 . C406 . 1.366(3) yes
C405 . H4051 . 0.999 no
C406 . O407 . 1.272(7) yes
C406 . C409 . 1.367(3) yes
O407 . C408 . 1.12(4) yes
C408 . H4081 . 0.991 no
C408 . H4082 . 0.957 no
C408 . H4083 . 1.164 no
C409 . C410 . 1.367(3) yes
C409 . H4091 . 0.931 no
C410 . H4101 . 0.925 no
N411 . C412 . 1.36(3) yes
N411 . C416 . 1.36(2) yes
C412 . C413 . 1.39(3) yes
C412 . H4121 . 0.969 no
C413 . C414 . 1.39(4) yes
C413 . H4131 . 0.950 no
C414 . C415 . 1.44(4) yes
C414 . H4141 . 0.949 no
C415 . C416 . 1.38(3) yes
C415 . H4151 . 0.948 no
C416 . H4161 . 0.943 no
N417 . C418 . 1.366(5) yes
N417 . C422 . 1.365(6) yes
C418 . C419 . 1.381(6) yes
C418 . H4181 . 0.949 no
C419 . C420 . 1.374(6) yes
C419 . H4191 . 0.989 no
C420 . C421 . 1.373(6) yes
C420 . H4201 . 0.896 no
C421 . C422 . 1.382(6) yes
C421 . H4211 . 0.951 no
C422 . H4221 . 0.958 no
N423 . C424 . 1.39(2) yes
N423 . C428 . 1.35(3) yes
C424 . C425 . 1.35(3) yes
C424 . H4241 . 0.965 no
C425 . C426 . 1.37(3) yes
C425 . H4251 . 0.963 no
C426 . C427 . 1.43(3) yes
C426 . H4261 . 0.954 no
C427 . C428 . 1.37(3) yes
C427 . H4271 . 0.952 no
C428 . H4281 . 0.950 no
N429 . C430 . 1.44(3) yes
N429 . C434 . 1.38(3) yes
C430 . C431 . 1.35(3) yes
C430 . H4301 . 0.966 no
C431 . C432 . 1.40(4) yes
C431 . H4311 . 0.983 no
C432 . C433 . 1.37(4) yes
C432 . H4321 . 0.931 no
C433 . C434 . 1.39(3) yes
C433 . H4331 . 0.950 no
C434 . H4341 . 0.957 no
N435 . C436 . 1.37(3) yes
N435 . C440 . 1.23(3) yes
C436 . C437 . 1.31(3) yes
C436 . H4361 . 0.927 no
C437 . C438 . 1.36(3) yes
C437 . H4371 . 0.983 no
C438 . C439 . 1.34(3) yes
C438 . H4381 . 0.974 no
C439 . C440 . 1.38(3) yes
C439 . H4391 . 0.940 no
C440 . H4401 . 0.986 no
N441 . C442 . 1.34(3) yes
N441 . C446 . 1.27(3) yes
C442 . C443 . 1.37(3) yes
C442 . H4421 . 0.930 no
C443 . C444 . 1.37(3) yes
C443 . H4431 . 0.946 no
C444 . C445 . 1.36(3) yes
C444 . H4441 . 0.947 no
C445 . C446 . 1.40(3) yes
C445 . H4451 . 0.955 no
C446 . H4461 . 0.912 no
N447 . C448 . 1.444(6) yes
N447 . C452 . 1.446(6) yes
C448 . C449 . 1.327(6) yes
C448 . H4481 . 0.935 no
C449 . C450 . 1.307(6) yes
C449 . H4491 . 0.941 no
C450 . C451 . 1.306(6) yes
C450 . H4501 . 0.960 no
C451 . C452 . 1.327(6) yes
C451 . H4511 . 0.970 no
C452 . H4521 . 0.964 no
N453 . C454 . 1.452(6) yes
N453 . C458 . 1.450(6) yes
C454 . C455 . 1.307(6) yes
C454 . H4541 . 0.920 no
C455 . C456 . 1.329(6) yes
C455 . H4551 . 0.961 no
C456 . C457 . 1.330(6) yes
C456 . H4561 . 0.990 no
C457 . C458 . 1.308(6) yes
C457 . H4571 . 0.987 no
C458 . H4581 . 0.943 no
N459 . C460 . 1.322(6) yes
N459 . C464 . 1.327(6) yes
C460 . C461 . 1.317(6) yes
C460 . H4601 . 0.883 no
C461 . C462 . 1.302(6) yes
C461 . H4611 . 0.946 no
C462 . C463 . 1.307(6) yes
C462 . H4621 . 0.958 no
C463 . C464 . 1.311(6) yes
C463 . H4631 . 0.851 no
C464 . H4641 . 0.956 no
N465 . C466 . 1.328(6) yes
N465 . C470 . 1.325(6) yes
C466 . C467 . 1.365(6) yes
C466 . H4661 . 0.969 no
C467 . C468 . 1.378(6) yes
C467 . H4671 . 0.962 no
C468 . C469 . 1.377(6) yes
C468 . H4681 . 0.945 no
C469 . C470 . 1.367(6) yes
C469 . H4691 . 0.935 no
C470 . H4701 . 0.942 no
N471 . C472 . 1.423(6) yes
N471 . C476 . 1.424(6) yes
C472 . C473 . 1.273(6) yes
C472 . H4721 . 0.965 no
C473 . C474 . 1.318(6) yes
C473 . H4731 . 0.918 no
C474 . C475 . 1.316(6) yes
C474 . H4741 . 0.923 no
C475 . C476 . 1.273(6) yes
C475 . H4751 . 0.955 no
C476 . H4761 . 0.957 no
C477 . H4771 . 1.156 no
C477 . H4772 . 0.841 no
C477 . H4773 . 1.028 no
C600 . H6001 . 0.950 no
C600 . H6002 . 0.950 no
C600 . H6003 . 0.950 no
C579 . H5791 . 0.950 no
C579 . H5792 . 0.950 no
C579 . H5793 . 0.950 no
C1 . H11 . 0.925 no
C1 . H12 . 0.911 no
C1 . H13 . 1.000 no
C221 . H2211 . 1.103 no
C221 . H2212 . 1.041 no
C221 . H2213 . 1.018 no
C2 . H21 . 0.984 no
C2 . H22 . 1.005 no
C2 . H23 . 0.903 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C93 . H931 . N459 . 151 0.92 2.54 3.38(3) yes
C121 . H1211 . O142 . 163 0.94 2.59 3.49(3) yes
C139 . H1391 . O160 2_767 164 0.96 2.48 3.41(3) yes
C162 . H1621 . O124 2_767 145 0.96 2.60 3.43(3) yes
C172 . H1723 . O137 2_767 141 1.00 2.59 3.43(3) yes
C173 . H1731 . N441 2_767 159 0.96 2.51 3.41(3) yes
C179 . H1791 . O186 . 179 0.93 2.37 3.30(3) yes
C206 . H2061 . O250 2_666 148 0.94 2.55 3.38(3) yes
C219 . H2191 . O221 . 169 0.94 2.57 3.49(3) yes
C236 . H2361 . O255 . 163 0.96 2.37 3.30(3) yes
C275 . H2751 . N435 . 151 0.93 2.44 3.29(3) yes
C287 . H2871 . O289 . 170 0.93 2.50 3.42(3) yes
C320 . H3201 . O333 . 177 0.95 2.43 3.38(3) yes
C331 . H3311 . O273 4_646 153 0.94 2.51 3.38(3) yes
C366 . H3661 . O87 . 122 0.92 2.39 2.98(3) yes
C370 . H3701 . O153 . 144 0.92 2.49 3.27(3) yes
C372 . H3721 . O243 . 123 0.96 2.57 3.20(3) yes
C375 . H3751 . C2 4_646 167 0.95 1.54 2.47(3) yes
C376 . H3761 . O37 . 145 0.92 2.46 3.25(3) yes
C382 . H3821 . O389 . 124 0.93 2.60 3.21(3) yes
C384 . H3841 . O288 . 120 0.96 2.44 3.04(3) yes
C388 . H3881 . O220 . 122 0.97 2.57 3.19(3) yes
C412 . H4121 . O130 . 157 0.97 2.56 3.47(3) yes
C416 . H4161 . O291 . 130 0.94 2.50 3.18(3) yes
C418 . H4181 . O188 . 131 0.95 2.45 3.15(3) yes
C422 . H4221 . O197 . 149 0.96 2.57 3.43(3) yes
C424 . H4241 . O75 . 147 0.96 2.60 3.45(3) yes
C428 . H4281 . O257 . 131 0.95 2.57 3.27(3) yes
C430 . H4301 . O300 . 151 0.97 2.54 3.42(3) yes
C437 . H4371 . O245 2_666 134 0.98 2.53 3.29(3) yes
C438 . H4381 . O211 2_666 174 0.97 2.51 3.48(3) yes
C452 . H4521 . O171 4_756 174 0.96 2.43 3.39(3) yes
C221 . H2212 . C421 3_565 152 1.04 2.19 3.15(3) yes
C221 . H2213 . C226 3_565 156 1.02 2.39 3.35(3) yes
C2 . H22 . C374 4_656 152 1.01 2.06 2.98(3) yes
C1 . H13 . O239 3_555 162 1.00 2.57 3.54(3) yes
O58 . H581 . N417 . 179 0.96 1.77 2.73(3) yes
O18 . H181 . N429 . 178 0.95 1.73 2.67(3) yes
O86 . H861 . N423 . 179 0.96 1.81 2.76(3) yes
O129 . H1291 . N411 . 179 0.96 1.81 2.78(3) yes
C460 . H4601 . O124 4_746 140 0.88 2.58 3.31(3) yes
C579 . H5793 . C31 4_646 153 0.95 2.23 3.10(3) yes
C579 . H5793 . O32 4_646 149 0.95 2.30 3.15(3) yes
C579 . H5793 . C34 4_646 146 0.95 2.34 3.17(3) yes
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 1211 377 ' 9(C5H5N)'
2 0.000 0.500 0.500 1211 377 ' 9(C5H5N)'
3 0.026 0.603 0.452 7 0 ' '
4 0.026 0.897 0.952 7 0 ' '
5 0.500 0.500 1.000 1456 543 ' 13(C5H5N) '
6 0.500 1.000 0.500 1456 543 ' 13(C5H5N) '
7 0.442 0.123 0.837 12 0 ' '
8 0.442 0.377 0.337 12 0 ' '
9 0.558 0.623 0.663 12 0 ' '
10 0.558 0.877 0.163 12 0 ' '
11 0.973 0.103 0.048 7 0 ' '
12 0.973 0.397 0.548 7 0 ' '
loop_
_oxford_refln_omitted_index_h
_oxford_refln_omitted_index_k
_oxford_refln_omitted_index_l
_oxford_refln_omitted_flag
_oxford_refln_omitted_details
4 0 0 x .
