# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_cu_221021lu_lgpz192389_0m
_database_code_depnum_ccdc_archive 'CCDC 2335670'
loop_
_audit_author_name
_audit_author_address
'Jiong-Peng Zhao'
;Tianjin University Of Technology
China
;
_audit_update_record             
;
2024-02-27 deposited with the CCDC.	2024-04-18 downloaded from the CCDC.
;
_audit_creation_date             2024-02-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C204 H140 N22 O44 Y12'
_chemical_formula_sum            'C204 H146 N22 O44 Y12'
_chemical_formula_weight         4676.34
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -0.2670 2.0244 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.5403(4)
_cell_length_b                   17.7051(4)
_cell_length_c                   19.9724(4)
_cell_angle_alpha                74.5520(10)
_cell_angle_beta                 78.8360(10)
_cell_angle_gamma                83.7730(10)
_cell_volume                     5854.7(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9780
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      79.46
_cell_measurement_theta_min      3.54
_shelx_estimated_absorpt_T_max   0.670
_shelx_estimated_absorpt_T_min   0.601
_exptl_absorpt_coefficient_mu    4.359
_exptl_absorpt_correction_T_max  0.7543
_exptl_absorpt_correction_T_min  0.6498
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0674 before and 0.0525 after correction.
The Ratio of minimum to maximum transmission is 0.8615.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            74952
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         80.929
_diffrn_reflns_theta_min         3.542
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20707
_reflns_number_total             24594
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'APEX4 V2022.1-1 (Bruker, 2022)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.192
_refine_diff_density_min         -1.538
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1386
_refine_ls_number_reflns         24594
_refine_ls_number_restraints     413
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0506
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0846P)²+7.1069P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1469
_refine_ls_wR_factor_ref         0.1525
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N12-O15
 1.38 with sigma of 0.02
 O11-N12 = O17-N12
 1.38 with sigma of 0.02
 O23-N13 = O12-N13_$1 = O14-N13_$1
 1.38 with sigma of 0.02
 O23-N13 = O14-N13_$1 = O12-N13_$1
 1.35 with sigma of 0.02
 O15-O11
 2.2 with sigma of 0.02
 O11-O15
 2.28 with sigma of 0.02
 O15-O16
 2.28 with sigma of 0.02
 O16-O11
 2.28 with sigma of 0.02
3. Rigid bond restraints
 O16, O18, O17, N12, O15, O11
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O25, C101, C44, O8, O26
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
O17 \\sim O18 \\sim O16: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.03 within 3.8A
O18 \\sim Y6 \\sim Y8: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
O16 \\sim O18 \\sim O17: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.03 within 3.8A
N13 \\sim N11 \\sim O14 \\sim O13 \\sim O15 \\sim N12 \\sim O17 \\sim O11 \\sim
O12: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.03 within
3.8A
O13 \\sim N11 \\sim O12 \\sim O11: within 2A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 2A
O30 \\sim C102 \\sim O29 \\sim O28: within 2A with sigma of 0.002 and sigma for
terminal atoms of 0.004 within 2A
O23 \\sim O22 \\sim O24: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.03 within 3.8A
O20 \\sim O21 \\sim O19: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.03 within 3.8A
O26 \\sim O8 \\sim O23 \\sim O25 \\sim C101: within 3.8A with sigma of 0.01 and
sigma for terminal atoms of 0.03 within 3.8A
Uanis(O17) \\sim Ueq, Uanis(O18) \\sim Ueq, Uanis(O16) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.2
Uanis(O13) \\sim Ueq, Uanis(O15) \\sim Ueq, Uanis(N12) \\sim Ueq, Uanis(O14)
\\sim Ueq, Uanis(N13) \\sim Ueq, Uanis(N11) \\sim Ueq, Uanis(O12) \\sim Ueq,
Uanis(O11) \\sim Ueq, Uanis(O17) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.2
Uanis(O23) \\sim Ueq, Uanis(O22) \\sim Ueq, Uanis(O24) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.2
Uanis(O20) \\sim Ueq, Uanis(O21) \\sim Ueq, Uanis(O19) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.2
5. Others
 1*[Sof(Y6)+Sof(O23)+Sof(O17)+Sof(O20)+Sof(O13)+Sof(N11)]+1*[Sof(Y8)+Sof(O18)+
 Sof(O14)+Sof(N13)+Sof(O22)+Sof(O21)]+1*[Sof(O15)+Sof(N12)+Sof(O24)+Sof(O16)+
 Sof(Y7)+Sof(O19)]=1 with esd of 0
 Sof(Y6)=Sof(O23)=Sof(O17)=Sof(O20)=Sof(O13)=Sof(N11)=FVAR(1)
 Sof(Y8)=Sof(O18)=Sof(O14)=Sof(N13)=Sof(O22)=Sof(O21)=FVAR(2)
 Sof(O15)=Sof(N12)=Sof(O24)=Sof(O16)=Sof(Y7)=Sof(O19)=FVAR(3)
6.a Ternary CH refined with riding coordinates:
 C30(H30), C90(H90), C70(H70), C50(H50), C10(H10)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C40(H40), C3(H3), C33(H33), C61(H61), C100(H100), C53(H53), C81(H81),
 C69(H69), C88(H88), C83(H83), C89(H89), C2(H2), C39(H39), C34(H34), C63(H63),
 C38(H38), C20(H20), C93(H93), C48(H48), C41(H41), C68(H68), C99(H99), C62(H62),
  C94(H94), C49(H49), C54(H54), C82(H82), C60(H60), C98(H98), C80(H80),
 C21(H21), C43(H43), C8(H8), C58(H58), C13(H13), C9(H9), C42(H42), C28(H28),
 C22(H22), C59(H59), C14(H14), C19(H19), C18(H18), C29(H29), C79(H79), C23(H23),
  C73(H73), C74(H74), C78(H78)
6.c Idealised Me refined as rotating group:
 C31(H31a,H31b,H31c), C71(H71a,H71b,H71c), C91(H91a,H91b,H91c), C51(H51a,H51b,
 H51c), C11(H11a,H11b,H11c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y3 Y 0.65190(2) 0.74814(2) 0.30614(2) 0.03664(8) Uani 1 1 d . . . . .
Y2 Y 0.67403(2) 0.73442(2) 0.47560(2) 0.03908(9) Uani 1 1 d . . . . .
Y5 Y 0.40599(2) 0.54796(2) 0.25466(2) 0.03888(9) Uani 1 1 d . . . . .
Y1 Y 0.71188(2) 0.58675(2) 0.61975(2) 0.03637(8) Uani 1 1 d . . . . .
Y4 Y 0.48742(2) 0.72172(2) 0.24508(2) 0.04012(9) Uani 1 1 d . . . . .
Y6 Y 0.51807(3) 0.59382(2) 0.42070(2) 0.02783(14) Uani 0.6537(13) 1 d . U P A 1
O1 O 0.26680(15) 0.52711(16) 0.29065(14) 0.0417(6) Uani 1 1 d . . . . .
O6 O 0.62205(15) 0.82364(14) 0.38568(13) 0.0365(5) Uani 1 1 d . . . . .
O4 O 0.62059(15) 0.71063(15) 0.21419(13) 0.0377(5) Uani 1 1 d . . . . .
O9 O 0.68161(16) 0.72574(15) 0.59587(14) 0.0401(6) Uani 1 1 d . . . . .
O2 O 0.36825(15) 0.67804(15) 0.24692(14) 0.0397(6) Uani 1 1 d . . . . .
O11 O 0.61371(15) 0.62314(16) 0.54979(14) 0.0403(5) Uani 1 1 d D U . . .
O10 O 0.62504(16) 0.58226(15) 0.72289(13) 0.0402(6) Uani 1 1 d . . . . .
O27 O 0.77750(15) 0.65519(15) 0.51310(13) 0.0385(5) Uani 1 1 d . . . . .
O7 O 0.75875(15) 0.75493(16) 0.35988(14) 0.0423(6) Uani 1 1 d . . . . .
O5 O 0.54835(16) 0.83265(15) 0.25099(16) 0.0451(6) Uani 1 1 d . . . . .
O12 O 0.62181(16) 0.49707(16) 0.62154(14) 0.0412(5) Uani 1 1 d D U . . .
O3 O 0.49289(16) 0.63307(15) 0.16884(13) 0.0400(6) Uani 1 1 d . . . . .
O23 O 0.5001(4) 0.5927(4) 0.3071(3) 0.0315(12) Uani 0.6537(13) 1 d . U P A 1
O17 O 0.6384(4) 0.6513(4) 0.4079(3) 0.0330(10) Uani 0.6537(13) 1 d . U P A 1
N1 N 0.17185(19) 0.4050(2) 0.33617(18) 0.0441(7) Uani 1 1 d . . . . .
O20 O 0.5251(6) 0.7079(6) 0.3523(6) 0.041(3) Uani 0.6537(13) 1 d . U P A 1
N4 N 0.7448(2) 0.6419(2) 0.26793(18) 0.0485(8) Uani 1 1 d . . . . .
N6 N 0.7944(2) 0.4999(2) 0.55020(19) 0.0467(8) Uani 1 1 d . . . . .
O28 O 0.6115(2) 0.5064(2) 0.3746(2) 0.0698(8) Uani 1 1 d . U . . .
N7 N 0.7248(2) 0.8522(2) 0.48741(19) 0.0463(8) Uani 1 1 d . . . . .
N9 N 0.5451(2) 0.7981(2) 0.51653(19) 0.0499(8) Uani 1 1 d . . . . .
N8 N 0.4772(2) 0.5464(2) 0.76589(19) 0.0476(8) Uani 1 1 d . . . . .
O13 O 0.5482(3) 0.5269(3) 0.5346(3) 0.0400(6) Uani 0.6537(13) 1 d . U P A 1
N10 N 0.4609(2) 0.8373(2) 0.1527(2) 0.0564(9) Uani 1 1 d . . . . .
N5 N 0.7471(2) 0.8303(2) 0.22427(18) 0.0491(8) Uani 1 1 d . . . . .
N3 N 0.3947(2) 0.5469(2) 0.1351(2) 0.0509(8) Uani 1 1 d . . . . .
N2 N 0.3740(2) 0.7913(3) 0.3102(2) 0.0628(11) Uani 1 1 d . . . . .
C37 C 0.5656(2) 0.8780(2) 0.3990(2) 0.0375(7) Uani 1 1 d . . . . .
C86 C 0.5753(2) 0.6368(2) 0.74447(19) 0.0408(8) Uani 1 1 d . . . . .
C57 C 0.6718(2) 0.6702(2) 0.17546(19) 0.0360(7) Uani 1 1 d . . . . .
C66 C 0.8411(2) 0.6217(2) 0.4793(2) 0.0409(8) Uani 1 1 d . . . . .
C6 C 0.2023(2) 0.5330(2) 0.2630(2) 0.0438(8) Uani 1 1 d . . . . .
C56 C 0.7361(2) 0.6286(2) 0.2063(2) 0.0422(8) Uani 1 1 d . . . . .
C36 C 0.5218(2) 0.8626(2) 0.4686(2) 0.0424(8) Uani 1 1 d . . . . .
C32 C 0.5500(2) 0.9461(2) 0.3494(2) 0.0424(8) Uani 1 1 d . . . . .
C67 C 0.8975(2) 0.6654(3) 0.4313(2) 0.0463(9) Uani 1 1 d . . . . .
O8 O 0.4462(3) 0.6684(3) 0.49564(19) 0.0754(10) Uani 1 1 d . U . . .
C52 C 0.6667(2) 0.6703(2) 0.1075(2) 0.0416(8) Uani 1 1 d . . . . .
C96 C 0.7319(2) 0.8531(2) 0.5540(2) 0.0451(9) Uani 1 1 d . . . . .
C85 C 0.4959(2) 0.6209(2) 0.7637(2) 0.0428(8) Uani 1 1 d . . . . .
C5 C 0.1527(2) 0.4689(3) 0.2855(2) 0.0452(9) Uani 1 1 d . . . . .
C17 C 0.3013(2) 0.7185(2) 0.2639(2) 0.0458(9) Uani 1 1 d . . . . .
O25 O 0.3818(2) 0.6346(2) 0.4274(2) 0.0778(10) Uani 1 1 d . U . . .
C30 C 0.6003(3) 0.9670(2) 0.2773(2) 0.0459(9) Uani 1 1 d . . . . .
H30 H 0.640316 0.922460 0.275671 0.055 Uiso 1 1 calc R U . . .
C65 C 0.8486(2) 0.5387(2) 0.4964(2) 0.0433(8) Uani 1 1 d . . . . .
C26 C 0.5310(3) 0.9029(2) 0.2107(2) 0.0466(9) Uani 1 1 d . . . . .
C90 C 0.6853(3) 0.7193(3) 0.7399(2) 0.0490(10) Uani 1 1 d . . . . .
H90 H 0.713508 0.671772 0.726819 0.059 Uiso 1 1 calc R U . . .
C70 C 0.8948(2) 0.7538(3) 0.4194(2) 0.0508(10) Uani 1 1 d . . . . .
H70 H 0.846083 0.768376 0.449793 0.061 Uiso 1 1 calc R U . . .
C97 C 0.7074(2) 0.7872(2) 0.6110(2) 0.0434(9) Uani 1 1 d . . . . .
C1 C 0.1273(3) 0.3440(3) 0.3576(3) 0.0526(10) Uani 1 1 d . . . . .
H1 H 0.141389 0.300253 0.393292 0.063 Uiso 1 1 calc R U . . .
C92 C 0.7115(3) 0.7893(3) 0.6792(2) 0.0508(10) Uani 1 1 d . . . . .
C40 C 0.5027(3) 0.7807(3) 0.5803(3) 0.0663(14) Uani 1 1 d . . . . .
H40 H 0.518667 0.735883 0.614011 0.080 Uiso 1 1 calc R U . . .
C87 C 0.5990(3) 0.7072(2) 0.7496(2) 0.0470(9) Uani 1 1 d . . . . .
C50 C 0.6078(3) 0.7246(3) 0.0682(2) 0.0482(9) Uani 1 1 d . . . . .
H50 H 0.576818 0.753958 0.101793 0.058 Uiso 1 1 calc R U . . .
C84 C 0.4386(3) 0.6785(2) 0.7816(2) 0.0474(9) Uani 1 1 d . . . . .
C77 C 0.8191(2) 0.7941(3) 0.3197(2) 0.0495(10) Uani 1 1 d . . . . .
C27 C 0.5540(3) 0.9714(2) 0.2190(2) 0.0487(9) Uani 1 1 d . . . . .
C64 C 0.9101(3) 0.4988(3) 0.4594(2) 0.0517(10) Uani 1 1 d . . . . .
C47 C 0.5504(3) 0.6797(3) 0.0481(2) 0.0478(9) Uani 1 1 d . . . . .
C3 C 0.0402(3) 0.4049(3) 0.2789(3) 0.0611(12) Uani 1 1 d . . . . .
H3 H -0.004776 0.404050 0.259227 0.073 Uiso 1 1 calc R U . . .
C33 C 0.4856(3) 0.9971(2) 0.3688(3) 0.0521(10) Uani 1 1 d . . . . .
H33 H 0.473956 1.043858 0.334928 0.063 Uiso 1 1 calc R U . . .
C61 C 0.7984(3) 0.4224(3) 0.5653(3) 0.0573(11) Uani 1 1 d . . . . .
H61 H 0.761415 0.394916 0.602725 0.069 Uiso 1 1 calc R U . . .
C100 C 0.7477(3) 0.9120(2) 0.4338(3) 0.0541(11) Uani 1 1 d . . . . .
H100 H 0.740603 0.911094 0.388058 0.065 Uiso 1 1 calc R U . . .
C53 C 0.7204(3) 0.6191(3) 0.0738(2) 0.0534(10) Uani 1 1 d . . . . .
H53 H 0.715173 0.616417 0.028023 0.064 Uiso 1 1 calc R U . . .
C46 C 0.4973(2) 0.6357(2) 0.1011(2) 0.0415(8) Uani 1 1 d . . . . .
C35 C 0.4566(3) 0.9134(3) 0.4859(2) 0.0506(10) Uani 1 1 d . . . . .
C102 C 0.6770(3) 0.4786(4) 0.3873(3) 0.0713(9) Uani 1 1 d . U . . .
C7 C 0.1826(3) 0.5985(3) 0.2118(2) 0.0532(10) Uani 1 1 d . . . . .
C81 C 0.4030(3) 0.5311(3) 0.7842(3) 0.0607(12) Uani 1 1 d . . . . .
H81 H 0.389573 0.479581 0.787217 0.073 Uiso 1 1 calc R U . . .
C10 C 0.2341(3) 0.6661(3) 0.1871(3) 0.0582(12) Uani 1 1 d . . . . .
H10 H 0.288507 0.643125 0.177305 0.070 Uiso 1 1 calc R U . . .
C25 C 0.4847(3) 0.9065(3) 0.1582(2) 0.0557(11) Uani 1 1 d . . . . .
O30 O 0.7063(3) 0.4995(3) 0.4294(2) 0.0837(9) Uani 1 1 d . U . . .
C95 C 0.7640(3) 0.9170(3) 0.5661(3) 0.0575(11) Uani 1 1 d . . . . .
C69 C 0.9662(3) 0.5448(3) 0.4082(2) 0.0580(12) Uani 1 1 d . . . . .
H69 H 1.007969 0.519762 0.382502 0.070 Uiso 1 1 calc R U . . .
C12 C 0.2333(3) 0.7111(3) 0.2417(3) 0.0565(11) Uani 1 1 d . . . . .
C16 C 0.3030(3) 0.7749(3) 0.3016(3) 0.0556(11) Uani 1 1 d . . . . .
C88 C 0.5424(3) 0.7639(2) 0.7679(2) 0.0514(10) Uani 1 1 d . . . . .
H88 H 0.558578 0.812399 0.770378 0.062 Uiso 1 1 calc R U . . .
C55 C 0.7885(3) 0.5791(3) 0.1709(2) 0.0520(10) Uani 1 1 d . . . . .
C83 C 0.3605(3) 0.6592(3) 0.7985(3) 0.0579(11) Uani 1 1 d . . . . .
H83 H 0.320440 0.697078 0.808979 0.069 Uiso 1 1 calc R U . . .
C31 C 0.6449(3) 1.0396(3) 0.2680(3) 0.0603(12) Uani 1 1 d . . . . .
H31A H 0.676044 1.052719 0.220540 0.090 Uiso 1 1 calc R U . . .
H31B H 0.679379 1.028744 0.303091 0.090 Uiso 1 1 calc R U . . .
H31C H 0.607983 1.083772 0.274426 0.090 Uiso 1 1 calc R U . . .
C89 C 0.4643(3) 0.7516(3) 0.7825(2) 0.0536(11) Uani 1 1 d . . . . .
H89 H 0.427456 0.792021 0.793096 0.064 Uiso 1 1 calc R U . . .
C2 C 0.0605(3) 0.3416(3) 0.3299(3) 0.0600(12) Uani 1 1 d . . . . .
H2 H 0.029980 0.297024 0.346063 0.072 Uiso 1 1 calc R U . . .
C71 C 0.9621(3) 0.7772(3) 0.4463(3) 0.0633(12) Uani 1 1 d . . . . .
H71A H 1.011559 0.763046 0.418678 0.095 Uiso 1 1 calc R U . . .
H71B H 0.960486 0.749702 0.496039 0.095 Uiso 1 1 calc R U . . .
H71C H 0.957561 0.834036 0.441362 0.095 Uiso 1 1 calc R U . . .
C39 C 0.4352(3) 0.8252(4) 0.6008(3) 0.0727(15) Uani 1 1 d . . . . .
H39 H 0.405372 0.809305 0.646749 0.087 Uiso 1 1 calc R U . . .
C34 C 0.4401(3) 0.9818(3) 0.4338(3) 0.0547(11) Uani 1 1 d . . . . .
H34 H 0.397338 1.017024 0.444221 0.066 Uiso 1 1 calc R U . . .
C45 C 0.4451(3) 0.5909(3) 0.0819(2) 0.0485(9) Uani 1 1 d . . . . .
C63 C 0.9105(3) 0.4164(3) 0.4772(3) 0.0629(13) Uani 1 1 d . . . . .
H63 H 0.949855 0.387002 0.453218 0.075 Uiso 1 1 calc R U . . .
C4 C 0.0846(3) 0.4712(3) 0.2550(3) 0.0542(10) Uani 1 1 d . . . . .
C76 C 0.8134(3) 0.8346(3) 0.2484(3) 0.0571(11) Uani 1 1 d . . . . .
C38 C 0.4129(3) 0.8914(3) 0.5543(3) 0.0627(13) Uani 1 1 d . . . . .
H38 H 0.368045 0.922624 0.567889 0.075 Uiso 1 1 calc R U . . .
C72 C 0.8875(3) 0.7973(3) 0.3442(3) 0.0592(12) Uani 1 1 d . . . . .
C20 C 0.3757(3) 0.8464(4) 0.3434(4) 0.0811(18) Uani 1 1 d . . . . .
H20 H 0.425029 0.861090 0.346843 0.097 Uiso 1 1 calc R U . . .
C93 C 0.7425(3) 0.8538(3) 0.6903(3) 0.0657(14) Uani 1 1 d . . . . .
H93 H 0.745160 0.854452 0.737205 0.079 Uiso 1 1 calc R U . . .
C48 C 0.5492(3) 0.6811(3) -0.0230(2) 0.0642(13) Uani 1 1 d . . . . .
H48 H 0.584460 0.712419 -0.059298 0.077 Uiso 1 1 calc R U . . .
C41 C 0.3443(3) 0.5059(3) 0.1199(3) 0.0624(12) Uani 1 1 d . . . . .
H41 H 0.309207 0.475608 0.157152 0.075 Uiso 1 1 calc R U . . .
C68 C 0.9606(2) 0.6238(3) 0.3959(2) 0.0537(11) Uani 1 1 d . . . . .
H68 H 0.999820 0.652988 0.362428 0.064 Uiso 1 1 calc R U . . .
C99 C 0.7812(3) 0.9757(3) 0.4410(3) 0.0660(13) Uani 1 1 d . . . . .
H99 H 0.797633 1.017223 0.401103 0.079 Uiso 1 1 calc R U . . .
C62 C 0.8548(3) 0.3789(3) 0.5286(3) 0.0665(13) Uani 1 1 d . . . . .
H62 H 0.853969 0.323365 0.539601 0.080 Uiso 1 1 calc R U . . .
O26 O 0.3208(3) 0.7136(4) 0.4883(3) 0.124(2) Uani 1 1 d . U . . .
N11 N 0.5921(3) 0.5492(3) 0.5677(3) 0.0408(5) Uani 0.6537(13) 1 d . U P A 1
C44 C 0.4460(3) 0.5936(3) 0.0097(3) 0.0630(13) Uani 1 1 d . . . . .
C101 C 0.3795(3) 0.6751(3) 0.4717(3) 0.0574(11) Uani 1 1 d . U . . .
C94 C 0.7690(4) 0.9158(3) 0.6365(3) 0.0742(16) Uani 1 1 d . . . . .
H94 H 0.790769 0.957800 0.646114 0.089 Uiso 1 1 calc R U . . .
C49 C 0.4992(4) 0.6391(4) -0.0414(2) 0.0727(15) Uani 1 1 d . . . . .
H49 H 0.501004 0.641098 -0.089707 0.087 Uiso 1 1 calc R U . . .
C91 C 0.7086(3) 0.7213(3) 0.8101(2) 0.0654(14) Uani 1 1 d . . . . .
H91A H 0.764929 0.725866 0.803095 0.098 Uiso 1 1 calc R U . . .
H91B H 0.694292 0.672859 0.845873 0.098 Uiso 1 1 calc R U . . .
H91C H 0.681349 0.766511 0.825856 0.098 Uiso 1 1 calc R U . . .
C54 C 0.7777(3) 0.5748(3) 0.1042(3) 0.0577(11) Uani 1 1 d . . . . .
H54 H 0.810952 0.540424 0.080547 0.069 Uiso 1 1 calc R U . . .
C82 C 0.3423(3) 0.5862(3) 0.7997(3) 0.0693(14) Uani 1 1 d . . . . .
H82 H 0.289614 0.572501 0.810805 0.083 Uiso 1 1 calc R U . . .
C60 C 0.8047(3) 0.6051(3) 0.2963(3) 0.0642(13) Uani 1 1 d . . . . .
H60 H 0.813227 0.615818 0.338330 0.077 Uiso 1 1 calc R U . . .
C98 C 0.7903(3) 0.9777(3) 0.5074(3) 0.0675(14) Uani 1 1 d . . . . .
H98 H 0.814452 1.020361 0.513503 0.081 Uiso 1 1 calc R U . . .
C80 C 0.7400(3) 0.8694(3) 0.1588(3) 0.0637(13) Uani 1 1 d . . . . .
H80 H 0.693388 0.866094 0.142353 0.076 Uiso 1 1 calc R U . . .
C21 C 0.4185(3) 0.8415(4) 0.1034(3) 0.0719(15) Uani 1 1 d . . . . .
H21 H 0.401306 0.793918 0.099743 0.086 Uiso 1 1 calc R U . . .
C43 C 0.3902(4) 0.5494(4) -0.0033(3) 0.0780(17) Uani 1 1 d . . . . .
H43 H 0.387321 0.550266 -0.050491 0.094 Uiso 1 1 calc R U . . .
C8 C 0.1131(3) 0.5996(3) 0.1840(3) 0.0706(15) Uani 1 1 d . . . . .
H8 H 0.099128 0.644973 0.149778 0.085 Uiso 1 1 calc R U . . .
C58 C 0.8482(3) 0.5388(3) 0.2051(3) 0.0693(14) Uani 1 1 d . . . . .
H58 H 0.883086 0.502806 0.184851 0.083 Uiso 1 1 calc R U . . .
C51 C 0.6507(4) 0.7863(3) 0.0065(3) 0.0686(14) Uani 1 1 d . . . . .
H51A H 0.685285 0.759816 -0.026057 0.103 Uiso 1 1 calc R U . . .
H51B H 0.681425 0.816682 0.024951 0.103 Uiso 1 1 calc R U . . .
H51C H 0.612537 0.821672 -0.018455 0.103 Uiso 1 1 calc R U . . .
C13 C 0.1645(3) 0.7517(3) 0.2683(4) 0.0738(17) Uani 1 1 d . . . . .
H13 H 0.116828 0.744466 0.255553 0.089 Uiso 1 1 calc R U . . .
O29 O 0.7112(3) 0.4282(3) 0.3555(3) 0.1093(14) Uani 1 1 d . U . . .
C9 C 0.0662(3) 0.5380(3) 0.2047(3) 0.0717(15) Uani 1 1 d . . . . .
H9 H 0.020789 0.540826 0.184569 0.086 Uiso 1 1 calc R U . . .
C24 C 0.4645(4) 0.9799(3) 0.1140(3) 0.0772(17) Uani 1 1 d . . . . .
C42 C 0.3417(4) 0.5065(4) 0.0498(3) 0.0782(17) Uani 1 1 d . . . . .
H42 H 0.305424 0.476317 0.040161 0.094 Uiso 1 1 calc R U . . .
C28 C 0.5335(4) 1.0441(3) 0.1739(3) 0.0710(15) Uani 1 1 d . . . . .
H28 H 0.550133 1.090954 0.179530 0.085 Uiso 1 1 calc R U . . .
C22 C 0.3977(5) 0.9102(4) 0.0572(4) 0.097(2) Uani 1 1 d . . . . .
H22 H 0.368600 0.909281 0.021995 0.117 Uiso 1 1 calc R U . . .
C15 C 0.2328(3) 0.8142(3) 0.3276(4) 0.0745(17) Uani 1 1 d . . . . .
C59 C 0.8567(4) 0.5510(4) 0.2679(3) 0.0769(17) Uani 1 1 d . . . . .
H59 H 0.897048 0.523294 0.291887 0.092 Uiso 1 1 calc R U . . .
C14 C 0.1635(3) 0.8003(3) 0.3110(4) 0.090(2) Uani 1 1 d . . . . .
H14 H 0.115753 0.824364 0.329174 0.108 Uiso 1 1 calc R U . . .
C11 C 0.2188(4) 0.7243(4) 0.1177(4) 0.099(3) Uani 1 1 d . . . . .
H11A H 0.165594 0.747995 0.124547 0.149 Uiso 1 1 calc R U . . .
H11B H 0.225067 0.696393 0.080549 0.149 Uiso 1 1 calc R U . . .
H11C H 0.255887 0.765591 0.104027 0.149 Uiso 1 1 calc R U . . .
C19 C 0.3096(4) 0.8840(5) 0.3734(5) 0.112(3) Uani 1 1 d . . . . .
H19 H 0.314219 0.921324 0.398627 0.135 Uiso 1 1 calc R U . . .
C18 C 0.2386(4) 0.8673(4) 0.3665(5) 0.112(3) Uani 1 1 d . . . . .
H18 H 0.192997 0.891575 0.388090 0.135 Uiso 1 1 calc R U . . .
C29 C 0.4906(5) 1.0489(3) 0.1227(4) 0.092(2) Uani 1 1 d . . . . .
H29 H 0.478321 1.098521 0.092879 0.110 Uiso 1 1 calc R U . . .
C79 C 0.7979(4) 0.9149(5) 0.1132(3) 0.094(2) Uani 1 1 d . . . . .
H79 H 0.790286 0.943045 0.067065 0.113 Uiso 1 1 calc R U . . .
C23 C 0.4192(6) 0.9782(4) 0.0628(4) 0.105(3) Uani 1 1 d . . . . .
H23 H 0.403928 1.025998 0.032024 0.126 Uiso 1 1 calc R U . . .
C75 C 0.8756(4) 0.8796(5) 0.2044(3) 0.098(3) Uani 1 1 d . . . . .
C73 C 0.9479(3) 0.8401(5) 0.2982(4) 0.100(3) Uani 1 1 d . . . . .
H73 H 0.995186 0.840171 0.314650 0.120 Uiso 1 1 calc R U . . .
C74 C 0.9422(4) 0.8814(6) 0.2316(4) 0.125(4) Uani 1 1 d . . . . .
H74 H 0.983826 0.911747 0.203533 0.150 Uiso 1 1 calc R U . . .
C78 C 0.8648(4) 0.9185(6) 0.1355(4) 0.131(4) Uani 1 1 d . . . . .
H78 H 0.905308 0.947909 0.104106 0.158 Uiso 1 1 calc R U . . .
Y8 Y 0.57117(10) 0.58440(9) 0.45788(8) 0.0420(5) Uani 0.2192(14) 1 d . U P A 2
O18 O 0.6716(9) 0.6555(9) 0.4112(8) 0.035(3) Uani 0.2192(14) 1 d . U P A 2
O15 O 0.5533(13) 0.5496(13) 0.5063(12) 0.048(2) Uani 0.1271(14) 1 d D U P A 3
O14 O 0.5385(9) 0.4918(10) 0.5551(7) 0.050(2) Uani 0.2192(14) 1 d D U P A 2
N13 N 0.4420(8) 0.5367(10) 0.3805(8) 0.055(3) Uani 0.2192(14) 1 d . U P A 2
N12 N 0.6040(14) 0.6084(14) 0.4895(10) 0.044(2) Uani 0.1271(14) 1 d D U P A 3
O24 O 0.5091(18) 0.5789(16) 0.2874(14) 0.035(4) Uani 0.1271(14) 1 d . U P A 3
O22 O 0.4787(10) 0.5775(11) 0.3210(10) 0.030(3) Uani 0.2192(14) 1 d . U P A 2
O21 O 0.5150(17) 0.7260(17) 0.3486(18) 0.021(3) Uani 0.2192(14) 1 d . U P A 2
O16 O 0.6318(17) 0.6467(15) 0.4308(8) 0.026(3) Uani 0.1271(14) 1 d D U P A 3
Y7 Y 0.4896(2) 0.54370(19) 0.40223(19) 0.0527(10) Uani 0.1271(14) 1 d . . P A 3
O19 O 0.5377(15) 0.6737(13) 0.3673(12) 0.033(4) Uani 0.1271(14) 1 d . U P A 3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y3 O6 2.290(2) . ?
Y3 O4 2.288(2) . ?
Y3 O7 2.361(3) . ?
Y3 O5 2.461(3) . ?
Y3 O17 2.274(5) . ?
Y3 O20 2.346(11) . ?
Y3 N4 2.529(3) . ?
Y3 N5 2.404(4) . ?
Y3 O18 2.354(15) . ?
Y3 O21 2.42(3) . ?
Y3 O16 2.639(18) . ?
Y3 O19 2.45(2) . ?
Y2 O6 2.316(2) . ?
Y2 O9 2.395(3) . ?
Y2 O11 2.342(3) . ?
Y2 O27 2.288(3) . ?
Y2 O7 2.454(3) . ?
Y2 O17 2.444(6) . ?
Y2 N7 2.438(4) . ?
Y2 N9 2.505(3) . ?
Y2 O18 2.144(14) . ?
Y2 N12 2.589(19) . ?
Y2 O16 2.24(2) . ?
Y5 Y4 3.4748(5) . ?
Y5 O1 2.447(3) . ?
Y5 O2 2.299(3) . ?
Y5 O10 2.332(3) 2_666 ?
Y5 O12 2.357(3) 2_666 ?
Y5 O3 2.375(3) . ?
Y5 O23 2.417(7) . ?
Y5 N8 2.541(4) 2_666 ?
Y5 N3 2.439(4) . ?
Y5 N13 2.660(14) . ?
Y5 O24 2.21(3) . ?
Y5 O22 2.196(19) . ?
Y1 O1 2.362(3) 2_666 ?
Y1 O9 2.399(3) . ?
Y1 O11 2.355(3) . ?
Y1 O10 2.301(3) . ?
Y1 O27 2.304(3) . ?
Y1 O12 2.347(3) . ?
Y1 N1 2.405(3) 2_666 ?
Y1 N6 2.504(3) . ?
Y1 N11 2.730(5) . ?
Y4 O4 2.298(3) . ?
Y4 O2 2.296(3) . ?
Y4 O5 2.375(3) . ?
Y4 O3 2.444(3) . ?
Y4 O23 2.301(6) . ?
Y4 O20 2.306(13) . ?
Y4 N10 2.434(4) . ?
Y4 N2 2.546(4) . ?
Y4 O24 2.46(3) . ?
Y4 O22 2.603(17) . ?
Y4 O21 2.23(3) . ?
Y4 O19 2.65(2) . ?
Y6 Y6 3.9428(8) 2_666 ?
Y6 O23 2.355(7) . ?
Y6 O17 2.382(6) . ?
Y6 O20 2.116(11) . ?
Y6 O28 2.356(4) . ?
Y6 O13 2.416(5) 2_666 ?
Y6 O13 2.399(5) . ?
Y6 O8 2.353(4) . ?
Y6 O25 2.409(4) . ?
Y6 C101 2.843(5) . ?
O1 C6 1.335(5) . ?
O6 C37 1.344(4) . ?
O4 C57 1.343(4) . ?
O9 C97 1.346(5) . ?
O2 C17 1.342(5) . ?
O11 N11 1.338(6) . ?
O11 Y8 2.389(3) . ?
O11 N12 1.344(16) . ?
O10 C86 1.331(5) . ?
O27 C66 1.353(5) . ?
O7 C77 1.334(5) . ?
O5 C26 1.330(5) . ?
O12 N11 1.366(6) . ?
O12 N13 1.337(11) 2_666 ?
O12 Y7 2.327(4) 2_666 ?
O3 C46 1.329(4) . ?
N1 C5 1.362(5) . ?
N1 C1 1.329(5) . ?
N4 C56 1.353(5) . ?
N4 C60 1.316(6) . ?
N6 C65 1.371(6) . ?
N6 C61 1.321(6) . ?
O28 C102 1.247(6) . ?
O28 Y8 2.394(4) . ?
O28 Y7 2.177(5) . ?
N7 C96 1.364(6) . ?
N7 C100 1.324(5) . ?
N9 C36 1.363(5) . ?
N9 C40 1.320(6) . ?
N8 C85 1.382(5) . ?
N8 C81 1.318(6) . ?
O13 N11 1.260(6) . ?
N10 C25 1.373(6) . ?
N10 C21 1.326(6) . ?
N5 C76 1.360(6) . ?
N5 C80 1.330(6) . ?
N3 C45 1.364(6) . ?
N3 C41 1.327(6) . ?
N2 C16 1.360(6) . ?
N2 C20 1.325(7) . ?
C37 C36 1.423(5) . ?
C37 C32 1.381(5) . ?
C86 C85 1.410(6) . ?
C86 C87 1.391(5) . ?
C57 C56 1.429(6) . ?
C57 C52 1.377(5) . ?
C66 C67 1.377(6) . ?
C66 C65 1.416(6) . ?
C6 C5 1.427(6) . ?
C6 C7 1.389(6) . ?
C56 C55 1.420(6) . ?
C36 C35 1.424(6) . ?
C32 C30 1.511(6) . ?
C32 C33 1.428(6) . ?
C67 C70 1.515(6) . ?
C67 C68 1.438(6) . ?
O8 C101 1.329(6) . ?
O8 Y8 2.615(5) . ?
C52 C50 1.519(6) . ?
C52 C53 1.433(6) . ?
C96 C97 1.433(6) . ?
C96 C95 1.411(6) . ?
C85 C84 1.418(6) . ?
C5 C4 1.434(6) . ?
C17 C12 1.380(6) . ?
C17 C16 1.407(6) . ?
O25 C101 1.272(6) . ?
O25 Y7 2.413(5) . ?
C30 H30 1.0000 . ?
C30 C27 1.525(6) . ?
C30 C31 1.527(6) . ?
C65 C64 1.419(6) . ?
C26 C27 1.378(6) . ?
C26 C25 1.430(6) . ?
C90 H90 1.0000 . ?
C90 C92 1.525(6) . ?
C90 C87 1.519(6) . ?
C90 C91 1.544(6) . ?
C70 H70 1.0000 . ?
C70 C71 1.525(6) . ?
C70 C72 1.517(7) . ?
C97 C92 1.389(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.399(6) . ?
C92 C93 1.402(6) . ?
C40 H40 0.9500 . ?
C40 C39 1.404(7) . ?
C87 C88 1.402(6) . ?
C50 H50 1.0000 . ?
C50 C47 1.518(6) . ?
C50 C51 1.542(6) . ?
C84 C83 1.403(7) . ?
C84 C89 1.422(6) . ?
C77 C76 1.430(6) . ?
C77 C72 1.392(6) . ?
C27 C28 1.416(6) . ?
C64 C69 1.420(7) . ?
C64 C63 1.407(7) . ?
C47 C46 1.390(6) . ?
C47 C48 1.420(6) . ?
C3 H3 0.9500 . ?
C3 C2 1.366(7) . ?
C3 C4 1.403(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.361(7) . ?
C61 H61 0.9500 . ?
C61 C62 1.402(7) . ?
C100 H100 0.9500 . ?
C100 C99 1.379(7) . ?
C53 H53 0.9500 . ?
C53 C54 1.345(7) . ?
C46 C45 1.439(6) . ?
C35 C34 1.414(7) . ?
C35 C38 1.407(7) . ?
C102 O30 1.217(7) . ?
C102 O29 1.263(7) . ?
C102 Y8 2.930(6) . ?
C7 C10 1.495(6) . ?
C7 C8 1.431(6) . ?
C81 H81 0.9500 . ?
C81 C82 1.411(7) . ?
C10 H10 1.0000 . ?
C10 C12 1.509(8) . ?
C10 C11 1.543(7) . ?
C25 C24 1.416(7) . ?
O30 Y8 2.714(5) . ?
C95 C94 1.419(8) . ?
C95 C98 1.404(7) . ?
C69 H69 0.9500 . ?
C69 C68 1.350(7) . ?
C12 C13 1.422(7) . ?
C16 C15 1.424(6) . ?
C88 H88 0.9500 . ?
C88 C89 1.372(7) . ?
C55 C54 1.403(6) . ?
C55 C58 1.388(7) . ?
C83 H83 0.9500 . ?
C83 C82 1.356(7) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C89 H89 0.9500 . ?
C2 H2 0.9500 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C39 H39 0.9500 . ?
C39 C38 1.360(8) . ?
C34 H34 0.9500 . ?
C45 C44 1.426(6) . ?
C63 H63 0.9500 . ?
C63 C62 1.356(8) . ?
C4 C9 1.386(7) . ?
C76 C75 1.429(7) . ?
C38 H38 0.9500 . ?
C72 C73 1.402(7) . ?
C20 H20 0.9500 . ?
C20 C19 1.386(8) . ?
C93 H93 0.9500 . ?
C93 C94 1.365(7) . ?
C48 H48 0.9500 . ?
C48 C49 1.366(8) . ?
C41 H41 0.9500 . ?
C41 C42 1.407(7) . ?
C68 H68 0.9500 . ?
C99 H99 0.9500 . ?
C99 C98 1.376(8) . ?
C62 H62 0.9500 . ?
O26 C101 1.212(7) . ?
C44 C49 1.386(8) . ?
C44 C43 1.416(8) . ?
C94 H94 0.9500 . ?
C49 H49 0.9500 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C54 H54 0.9500 . ?
C82 H82 0.9500 . ?
C60 H60 0.9500 . ?
C60 C59 1.405(7) . ?
C98 H98 0.9500 . ?
C80 H80 0.9500 . ?
C80 C79 1.393(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.379(9) . ?
C43 H43 0.9500 . ?
C43 C42 1.337(9) . ?
C8 H8 0.9500 . ?
C8 C9 1.365(8) . ?
C58 H58 0.9500 . ?
C58 C59 1.365(7) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C13 H13 0.9500 . ?
C13 C14 1.360(9) . ?
C9 H9 0.9500 . ?
C24 C29 1.414(8) . ?
C24 C23 1.419(8) . ?
C42 H42 0.9500 . ?
C28 H28 0.9500 . ?
C28 C29 1.363(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.338(10) . ?
C15 C14 1.383(8) . ?
C15 C18 1.393(9) . ?
C59 H59 0.9500 . ?
C14 H14 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C19 H19 0.9500 . ?
C19 C18 1.350(9) . ?
C18 H18 0.9500 . ?
C29 H29 0.9500 . ?
C79 H79 0.9500 . ?
C79 C78 1.347(10) . ?
C23 H23 0.9500 . ?
C75 C74 1.388(9) . ?
C75 C78 1.404(9) . ?
C73 H73 0.9500 . ?
C73 C74 1.353(9) . ?
C74 H74 0.9500 . ?
C78 H78 0.9500 . ?
Y8 Y8 3.913(3) 2_666 ?
Y8 O18 2.186(15) . ?
Y8 O14 2.205(16) . ?
Y8 O14 2.556(18) 2_666 ?
O15 N12 1.373(17) . ?
O15 Y7 2.573(19) . ?
O15 Y7 2.18(2) 2_666 ?
O14 N13 1.347(12) 2_666 ?
N13 O22 1.30(2) . ?
N12 O16 1.22(2) . ?
O24 Y7 2.18(3) . ?
Y7 Y7 3.871(7) 2_666 ?
Y7 O19 2.42(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6 Y3 O7 67.71(9) . . ?
O6 Y3 O5 83.41(9) . . ?
O6 Y3 O20 83.1(3) . . ?
O6 Y3 N4 144.70(10) . . ?
O6 Y3 N5 96.84(11) . . ?
O6 Y3 O18 78.8(4) . . ?
O6 Y3 O21 78.9(7) . . ?
O6 Y3 O16 75.1(5) . . ?
O6 Y3 O19 88.5(6) . . ?
O4 Y3 O6 148.73(9) . . ?
O4 Y3 O7 141.91(9) . . ?
O4 Y3 O5 65.96(9) . . ?
O4 Y3 O20 78.4(3) . . ?
O4 Y3 N4 66.51(10) . . ?
O4 Y3 N5 89.26(11) . . ?
O4 Y3 O18 121.3(4) . . ?
O4 Y3 O21 79.4(8) . . ?
O4 Y3 O16 117.2(5) . . ?
O4 Y3 O19 80.1(6) . . ?
O7 Y3 O5 140.90(9) . . ?
O7 Y3 N4 78.91(11) . . ?
O7 Y3 N5 69.55(11) . . ?
O7 Y3 O21 134.7(8) . . ?
O7 Y3 O16 73.0(6) . . ?
O7 Y3 O19 123.6(6) . . ?
O5 Y3 N4 131.59(10) . . ?
O5 Y3 O16 125.5(7) . . ?
O17 Y3 O6 80.69(17) . . ?
O17 Y3 O4 112.57(17) . . ?
O17 Y3 O7 74.41(18) . . ?
O17 Y3 O5 127.74(17) . . ?
O17 Y3 O20 64.1(3) . . ?
O17 Y3 N4 79.56(18) . . ?
O17 Y3 N5 141.75(18) . . ?
O20 Y3 O7 132.4(3) . . ?
O20 Y3 O5 64.8(3) . . ?
O20 Y3 N4 113.4(3) . . ?
O20 Y3 N5 154.0(3) . . ?
N4 Y3 O16 84.7(6) . . ?
N5 Y3 O5 89.33(11) . . ?
N5 Y3 N4 81.39(13) . . ?
N5 Y3 O21 146.9(7) . . ?
N5 Y3 O16 141.8(6) . . ?
N5 Y3 O19 166.8(6) . . ?
O18 Y3 O7 59.7(4) . . ?
O18 Y3 O5 141.1(4) . . ?
O18 Y3 N4 74.6(4) . . ?
O18 Y3 N5 126.8(4) . . ?
O18 Y3 O21 85.0(8) . . ?
O21 Y3 O5 57.6(7) . . ?
O21 Y3 N4 120.7(7) . . ?
O19 Y3 O5 79.3(5) . . ?
O19 Y3 N4 101.2(5) . . ?
O19 Y3 O16 51.3(8) . . ?
O6 Y2 Y3 41.70(6) . . ?
O6 Y2 O9 136.56(9) . . ?
O6 Y2 O11 125.15(9) . . ?
O6 Y2 O7 65.76(9) . . ?
O6 Y2 O17 76.69(16) . . ?
O6 Y2 N7 82.32(11) . . ?
O6 Y2 N9 66.40(10) . . ?
O6 Y2 N12 102.8(5) . . ?
O9 Y2 Y3 176.74(7) . . ?
O9 Y2 O7 139.54(9) . . ?
O9 Y2 O17 137.69(14) . . ?
O9 Y2 N7 68.65(10) . . ?
O9 Y2 N9 78.46(11) . . ?
O9 Y2 N12 100.9(4) . . ?
O11 Y2 Y3 108.72(6) . . ?
O11 Y2 O9 69.82(9) . . ?
O11 Y2 O7 131.59(9) . . ?
O11 Y2 O17 68.63(14) . . ?
O11 Y2 N7 137.71(10) . . ?
O11 Y2 N9 80.81(11) . . ?
O11 Y2 N12 31.1(4) . . ?
O27 Y2 Y3 115.77(6) . . ?
O27 Y2 O6 149.02(9) . . ?
O27 Y2 O9 67.00(9) . . ?
O27 Y2 O11 77.64(9) . . ?
O27 Y2 O7 83.44(9) . . ?
O27 Y2 O17 96.47(17) . . ?
O27 Y2 N7 93.25(11) . . ?
O27 Y2 N9 143.85(10) . . ?
O27 Y2 N12 87.8(6) . . ?
O7 Y2 Y3 43.62(6) . . ?
O7 Y2 N9 132.03(10) . . ?
O7 Y2 N12 105.1(4) . . ?
O17 Y2 Y3 41.57(13) . . ?
O17 Y2 O7 69.84(14) . . ?
O17 Y2 N9 102.26(18) . . ?
N7 Y2 Y3 112.32(8) . . ?
N7 Y2 O7 86.97(10) . . ?
N7 Y2 O17 153.53(15) . . ?
N7 Y2 N9 83.54(12) . . ?
N7 Y2 N12 167.9(4) . . ?
N9 Y2 Y3 98.48(9) . . ?
N9 Y2 N12 88.5(6) . . ?
O18 Y2 Y3 42.8(4) . . ?
O18 Y2 O6 82.6(4) . . ?
O18 Y2 O9 137.6(4) . . ?
O18 Y2 O11 73.4(4) . . ?
O18 Y2 O27 85.4(4) . . ?
O18 Y2 O7 60.9(4) . . ?
O18 Y2 N7 147.8(4) . . ?
O18 Y2 N9 115.7(4) . . ?
N12 Y2 Y3 77.8(4) . . ?
O16 Y2 Y3 50.4(5) . . ?
O16 Y2 O6 82.9(6) . . ?
O16 Y2 O9 128.6(4) . . ?
O16 Y2 O11 59.2(4) . . ?
O16 Y2 O27 94.8(8) . . ?
O16 Y2 O7 78.8(5) . . ?
O16 Y2 N7 162.7(5) . . ?
O16 Y2 N9 98.7(8) . . ?
O16 Y2 N12 28.2(5) . . ?
O1 Y5 Y4 123.84(7) . . ?
O1 Y5 N8 131.54(10) . 2_666 ?
O1 Y5 N13 99.0(3) . . ?
O2 Y5 Y4 40.85(6) . . ?
O2 Y5 O1 84.82(9) . . ?
O2 Y5 O10 150.37(9) . 2_666 ?
O2 Y5 O12 97.56(10) . 2_666 ?
O2 Y5 O3 67.84(9) . . ?
O2 Y5 O23 75.94(17) . . ?
O2 Y5 N8 143.56(10) . 2_666 ?
O2 Y5 N3 97.61(11) . . ?
O2 Y5 N13 88.9(4) . . ?
O10 Y5 Y4 166.05(7) 2_666 . ?
O10 Y5 O1 65.56(9) 2_666 . ?
O10 Y5 O12 74.55(9) 2_666 2_666 ?
O10 Y5 O3 136.17(9) 2_666 . ?
O10 Y5 O23 124.93(17) 2_666 . ?
O10 Y5 N8 66.00(10) 2_666 2_666 ?
O10 Y5 N3 81.63(11) 2_666 . ?
O10 Y5 N13 96.3(3) 2_666 . ?
O12 Y5 Y4 98.01(6) 2_666 . ?
O12 Y5 O1 71.18(9) 2_666 . ?
O12 Y5 O3 137.78(9) 2_666 . ?
O12 Y5 O23 69.86(15) 2_666 . ?
O12 Y5 N8 97.33(11) 2_666 2_666 ?
O12 Y5 N3 153.63(11) 2_666 . ?
O12 Y5 N13 30.1(3) 2_666 . ?
O3 Y5 Y4 44.66(6) . . ?
O3 Y5 O1 140.58(9) . . ?
O3 Y5 O23 68.19(15) . . ?
O3 Y5 N8 78.85(10) . 2_666 ?
O3 Y5 N3 68.32(11) . . ?
O3 Y5 N13 107.9(3) . . ?
O23 Y5 Y4 41.29(15) . . ?
O23 Y5 O1 133.35(15) . . ?
O23 Y5 N8 78.35(17) . 2_666 ?
O23 Y5 N3 135.08(16) . . ?
N8 Y5 Y4 104.07(8) 2_666 . ?
N8 Y5 N13 87.6(4) 2_666 . ?
N3 Y5 Y4 107.57(9) . . ?
N3 Y5 O1 88.88(11) . . ?
N3 Y5 N8 82.86(12) . 2_666 ?
N3 Y5 N13 170.2(4) . . ?
N13 Y5 Y4 72.8(3) . . ?
O24 Y5 Y4 44.6(7) . . ?
O24 Y5 O1 144.3(7) . . ?
O24 Y5 O2 83.0(7) . . ?
O24 Y5 O3 62.1(7) . . ?
O24 Y5 N3 125.9(7) . . ?
O22 Y5 Y4 48.5(5) . . ?
O22 Y5 O1 124.2(5) . . ?
O22 Y5 O2 78.3(5) . . ?
O22 Y5 O3 78.8(4) . . ?
O22 Y5 N3 145.6(4) . . ?
O22 Y5 N13 29.1(5) . . ?
Y2 Y1 Y5 132.309(13) . 2_666 ?
O1 Y1 Y2 171.53(7) 2_666 . ?
O1 Y1 Y5 44.57(6) 2_666 2_666 ?
O1 Y1 O9 144.03(9) 2_666 . ?
O1 Y1 N1 69.70(10) 2_666 2_666 ?
O1 Y1 N6 78.38(11) 2_666 . ?
O1 Y1 N11 102.87(12) 2_666 . ?
O9 Y1 Y2 43.88(6) . . ?
O9 Y1 Y5 122.61(7) . 2_666 ?
O9 Y1 N1 93.25(11) . 2_666 ?
O9 Y1 N6 133.35(10) . . ?
O9 Y1 N11 97.38(13) . . ?
O11 Y1 Y2 42.55(6) . . ?
O11 Y1 Y5 90.97(6) . 2_666 ?
O11 Y1 O1 131.44(9) . 2_666 ?
O11 Y1 O9 69.54(9) . . ?
O11 Y1 N1 158.84(11) . 2_666 ?
O11 Y1 N6 97.30(10) . . ?
O11 Y1 N11 29.34(12) . . ?
O10 Y1 Y2 115.93(7) . . ?
O10 Y1 Y5 41.61(6) . 2_666 ?
O10 Y1 O1 67.45(9) . 2_666 ?
O10 Y1 O9 84.62(9) . . ?
O10 Y1 O11 93.07(9) . . ?
O10 Y1 O27 151.31(9) . . ?
O10 Y1 O12 75.31(9) . . ?
O10 Y1 N1 97.59(11) . 2_666 ?
O10 Y1 N6 141.85(10) . . ?
O10 Y1 N11 86.65(12) . . ?
O27 Y1 Y2 41.09(6) . . ?
O27 Y1 Y5 161.46(7) . 2_666 ?
O27 Y1 O1 138.26(9) . 2_666 ?
O27 Y1 O9 66.69(9) . . ?
O27 Y1 O11 77.09(9) . . ?
O27 Y1 O12 119.37(9) . . ?
O27 Y1 N1 84.91(10) . 2_666 ?
O27 Y1 N6 66.75(10) . . ?
O27 Y1 N11 96.32(12) . . ?
O12 Y1 Y2 100.10(7) . . ?
O12 Y1 Y5 42.34(6) . 2_666 ?
O12 Y1 O1 72.86(9) . 2_666 ?
O12 Y1 O9 122.78(10) . . ?
O12 Y1 O11 59.01(9) . . ?
O12 Y1 N1 141.61(11) . 2_666 ?
O12 Y1 N6 78.94(11) . . ?
O12 Y1 N11 30.01(12) . . ?
N1 Y1 Y2 116.36(8) 2_666 . ?
N1 Y1 Y5 109.10(8) 2_666 2_666 ?
N1 Y1 N6 85.52(12) 2_666 . ?
N1 Y1 N11 168.89(14) 2_666 . ?
N6 Y1 Y2 95.83(8) . . ?
N6 Y1 Y5 101.41(8) . 2_666 ?
N6 Y1 N11 84.84(13) . . ?
N11 Y1 Y2 70.20(11) . . ?
N11 Y1 Y5 67.58(10) . 2_666 ?
O4 Y4 O5 67.26(9) . . ?
O4 Y4 O3 82.75(9) . . ?
O4 Y4 O23 84.98(17) . . ?
O4 Y4 O20 79.0(3) . . ?
O4 Y4 N10 98.64(12) . . ?
O4 Y4 N2 144.78(11) . . ?
O4 Y4 O24 80.6(7) . . ?
O4 Y4 O22 93.8(4) . . ?
O4 Y4 O19 75.8(5) . . ?
O2 Y4 O4 148.77(9) . . ?
O2 Y4 O5 142.51(9) . . ?
O2 Y4 O3 66.71(9) . . ?
O2 Y4 O23 78.31(18) . . ?
O2 Y4 O20 117.2(3) . . ?
O2 Y4 N10 89.59(12) . . ?
O2 Y4 N2 66.34(11) . . ?
O2 Y4 O24 77.8(7) . . ?
O2 Y4 O22 70.5(4) . . ?
O2 Y4 O19 113.9(5) . . ?
O5 Y4 O3 140.51(10) . . ?
O5 Y4 N10 68.16(12) . . ?
O5 Y4 N2 79.45(11) . . ?
O5 Y4 O24 135.0(7) . . ?
O5 Y4 O22 134.1(4) . . ?
O5 Y4 O19 76.9(5) . . ?
O3 Y4 N2 132.23(11) . . ?
O3 Y4 O24 57.7(6) . . ?
O3 Y4 O22 70.2(5) . . ?
O3 Y4 O19 121.1(5) . . ?
O23 Y4 O5 129.6(2) . . ?
O23 Y4 O3 68.90(18) . . ?
O23 Y4 O20 67.2(3) . . ?
O23 Y4 N10 161.0(2) . . ?
O23 Y4 N2 109.20(18) . . ?
O20 Y4 O5 66.8(3) . . ?
O20 Y4 O3 133.5(3) . . ?
O20 Y4 N10 131.8(3) . . ?
O20 Y4 N2 77.5(3) . . ?
N10 Y4 O3 92.93(11) . . ?
N10 Y4 N2 78.44(15) . . ?
N10 Y4 O24 150.6(6) . . ?
N10 Y4 O22 157.6(4) . . ?
N10 Y4 O19 143.7(5) . . ?
N2 Y4 O22 101.7(4) . . ?
N2 Y4 O19 86.1(5) . . ?
O24 Y4 N2 118.7(7) . . ?
O24 Y4 O19 64.9(8) . . ?
O21 Y4 O4 83.2(8) . . ?
O21 Y4 O2 116.8(7) . . ?
O21 Y4 O5 61.3(7) . . ?
O21 Y4 O3 142.0(7) . . ?
O21 Y4 N10 124.1(7) . . ?
O21 Y4 N2 70.6(8) . . ?
O21 Y4 O22 75.7(8) . . ?
Y3 Y6 Y6 149.480(19) . 2_666 ?
Y4 Y6 Y3 54.964(9) . . ?
Y4 Y6 Y6 153.142(19) . 2_666 ?
O23 Y6 Y3 78.54(16) . . ?
O23 Y6 Y4 36.16(16) . . ?
O23 Y6 Y6 120.59(16) . 2_666 ?
O23 Y6 O17 107.3(2) . . ?
O23 Y6 O28 69.66(18) . . ?
O23 Y6 O13 150.8(2) . . ?
O23 Y6 O13 87.9(2) . 2_666 ?
O23 Y6 O25 79.63(18) . . ?
O23 Y6 C101 102.83(19) . . ?
O17 Y6 Y3 35.04(14) . . ?
O17 Y6 Y4 89.91(14) . . ?
O17 Y6 Y6 114.85(14) . 2_666 ?
O17 Y6 O13 82.80(18) . . ?
O17 Y6 O13 144.13(19) . 2_666 ?
O17 Y6 O25 138.25(19) . . ?
O17 Y6 C101 117.73(19) . . ?
O20 Y6 Y3 34.3(3) . . ?
O20 Y6 Y4 34.0(3) . . ?
O20 Y6 Y6 167.3(3) . 2_666 ?
O20 Y6 O23 69.3(4) . . ?
O20 Y6 O17 65.8(3) . . ?
O20 Y6 O28 110.1(3) . . ?
O20 Y6 O13 137.9(4) . . ?
O20 Y6 O13 148.9(3) . 2_666 ?
O20 Y6 O8 79.6(3) . . ?
O20 Y6 O25 79.7(3) . . ?
O20 Y6 C101 76.6(3) . . ?
O28 Y6 Y3 83.90(11) . . ?
O28 Y6 Y4 95.14(10) . . ?
O28 Y6 Y6 81.77(11) . 2_666 ?
O28 Y6 O17 76.15(18) . . ?
O28 Y6 O13 79.42(15) . 2_666 ?
O28 Y6 O13 87.11(14) . . ?
O28 Y6 O25 140.67(13) . . ?
O28 Y6 C101 166.05(15) . . ?
O13 Y6 Y3 161.40(11) 2_666 . ?
O13 Y6 Y3 117.48(11) . . ?
O13 Y6 Y4 118.27(11) 2_666 . ?
O13 Y6 Y4 171.64(11) . . ?
O13 Y6 Y6 35.16(11) . 2_666 ?
O13 Y6 Y6 34.88(11) 2_666 2_666 ?
O13 Y6 O13 70.04(17) . 2_666 ?
O13 Y6 O25 111.41(16) . . ?
O13 Y6 C101 88.74(15) 2_666 . ?
O13 Y6 C101 95.82(15) . . ?
O8 Y6 Y3 98.38(10) . . ?
O8 Y6 Y4 100.48(10) . . ?
O8 Y6 Y6 87.84(10) . 2_666 ?
O8 Y6 O23 127.97(19) . . ?
O8 Y6 O17 95.62(18) . . ?
O8 Y6 O28 162.36(14) . . ?
O8 Y6 O13 76.28(15) . . ?
O8 Y6 O13 100.01(15) . 2_666 ?
O8 Y6 O25 53.93(14) . . ?
O8 Y6 C101 27.63(14) . . ?
O25 Y6 Y3 113.98(10) . . ?
O25 Y6 Y4 71.62(11) . . ?
O25 Y6 Y6 93.88(11) . 2_666 ?
O25 Y6 O13 75.40(15) . 2_666 ?
O25 Y6 C101 26.40(14) . . ?
C101 Y6 Y3 106.57(10) . . ?
C101 Y6 Y4 83.92(10) . . ?
C101 Y6 Y6 92.76(10) . 2_666 ?
Y1 O1 Y5 92.78(9) 2_666 . ?
C6 O1 Y5 140.6(3) . . ?
C6 O1 Y1 117.5(2) . 2_666 ?
Y3 O6 Y2 96.01(9) . . ?
C37 O6 Y3 135.6(2) . . ?
C37 O6 Y2 121.6(2) . . ?
Y3 O4 Y4 98.05(9) . . ?
C57 O4 Y3 122.0(2) . . ?
C57 O4 Y4 135.9(2) . . ?
Y2 O9 Y1 92.15(9) . . ?
C97 O9 Y2 118.3(2) . . ?
C97 O9 Y1 136.4(3) . . ?
Y4 O2 Y5 98.25(9) . . ?
C17 O2 Y5 135.5(2) . . ?
C17 O2 Y4 122.2(2) . . ?
Y2 O11 Y1 94.62(9) . . ?
Y2 O11 Y8 95.27(10) . . ?
Y1 O11 Y8 138.88(13) . . ?
N11 O11 Y2 155.6(3) . . ?
N11 O11 Y1 91.1(3) . . ?
N12 O11 Y2 84.6(9) . . ?
N12 O11 Y1 133.7(12) . . ?
Y1 O10 Y5 97.47(9) . 2_666 ?
C86 O10 Y5 122.5(2) . 2_666 ?
C86 O10 Y1 131.6(2) . . ?
Y2 O27 Y1 97.49(9) . . ?
C66 O27 Y2 133.3(2) . . ?
C66 O27 Y1 120.6(2) . . ?
Y3 O7 Y2 90.58(9) . . ?
C77 O7 Y3 117.7(2) . . ?
C77 O7 Y2 143.3(3) . . ?
Y4 O5 Y3 91.42(9) . . ?
C26 O5 Y3 144.6(3) . . ?
C26 O5 Y4 119.3(3) . . ?
Y1 O12 Y5 95.52(9) . 2_666 ?
N11 O12 Y5 139.7(3) . 2_666 ?
N11 O12 Y1 90.7(2) . . ?
N11 O12 Y7 66.8(2) . 2_666 ?
N13 O12 Y1 164.7(8) 2_666 . ?
N13 O12 Y7 10.9(6) 2_666 2_666 ?
Y7 O12 Y1 156.34(16) 2_666 . ?
Y5 O3 Y4 92.26(9) . . ?
C46 O3 Y5 119.1(2) . . ?
C46 O3 Y4 139.8(2) . . ?
Y4 O23 Y5 94.8(2) . . ?
Y4 O23 Y6 106.7(3) . . ?
Y6 O23 Y5 137.8(3) . . ?
Y3 O17 Y2 92.9(2) . . ?
Y3 O17 Y6 108.0(3) . . ?
Y6 O17 Y2 129.0(2) . . ?
C5 N1 Y1 115.2(3) . 2_666 ?
C1 N1 Y1 124.9(3) . 2_666 ?
C1 N1 C5 119.9(4) . . ?
Y4 O20 Y3 96.2(4) . . ?
Y6 O20 Y3 115.1(5) . . ?
Y6 O20 Y4 115.2(5) . . ?
C56 N4 Y3 114.5(3) . . ?
C60 N4 Y3 127.9(3) . . ?
C60 N4 C56 117.1(4) . . ?
C65 N6 Y1 113.9(3) . . ?
C61 N6 Y1 127.5(3) . . ?
C61 N6 C65 117.9(4) . . ?
C102 O28 Y6 133.6(3) . . ?
C102 O28 Y8 102.6(3) . . ?
C102 O28 Y7 154.9(4) . . ?
C96 N7 Y2 116.1(3) . . ?
C100 N7 Y2 124.2(3) . . ?
C100 N7 C96 119.7(4) . . ?
C36 N9 Y2 114.5(2) . . ?
C40 N9 Y2 127.2(3) . . ?
C40 N9 C36 117.9(4) . . ?
C85 N8 Y5 114.4(3) . 2_666 ?
C81 N8 Y5 128.2(3) . 2_666 ?
C81 N8 C85 117.1(4) . . ?
Y6 O13 Y6 109.96(17) . 2_666 ?
N11 O13 Y6 123.4(4) . 2_666 ?
N11 O13 Y6 126.6(4) . . ?
C25 N10 Y4 115.5(3) . . ?
C21 N10 Y4 126.6(4) . . ?
C21 N10 C25 117.4(4) . . ?
C76 N5 Y3 115.4(3) . . ?
C80 N5 Y3 125.4(3) . . ?
C80 N5 C76 119.2(4) . . ?
C45 N3 Y5 116.3(3) . . ?
C41 N3 Y5 124.1(3) . . ?
C41 N3 C45 119.6(4) . . ?
C16 N2 Y4 113.7(3) . . ?
C20 N2 Y4 128.7(3) . . ?
C20 N2 C16 117.2(4) . . ?
O6 C37 C36 116.3(3) . . ?
O6 C37 C32 123.2(3) . . ?
C32 C37 C36 120.5(3) . . ?
O10 C86 C85 117.8(3) . . ?
O10 C86 C87 122.6(4) . . ?
C87 C86 C85 119.5(4) . . ?
O4 C57 C56 117.3(3) . . ?
O4 C57 C52 123.2(3) . . ?
C52 C57 C56 119.5(3) . . ?
O27 C66 C67 122.4(4) . . ?
O27 C66 C65 116.9(3) . . ?
C67 C66 C65 120.7(4) . . ?
O1 C6 C5 118.9(4) . . ?
O1 C6 C7 122.3(4) . . ?
C7 C6 C5 118.8(4) . . ?
N4 C56 C57 116.3(3) . . ?
N4 C56 C55 123.5(4) . . ?
C55 C56 C57 120.1(4) . . ?
N9 C36 C37 117.2(3) . . ?
N9 C36 C35 122.5(4) . . ?
C37 C36 C35 120.3(4) . . ?
C37 C32 C30 121.3(4) . . ?
C37 C32 C33 117.8(4) . . ?
C33 C32 C30 120.9(4) . . ?
C66 C67 C70 120.9(4) . . ?
C66 C67 C68 117.6(4) . . ?
C68 C67 C70 121.5(4) . . ?
C101 O8 Y6 97.2(3) . . ?
C101 O8 Y8 125.8(3) . . ?
C57 C52 C50 121.3(4) . . ?
C57 C52 C53 118.1(4) . . ?
C53 C52 C50 120.5(4) . . ?
N7 C96 C97 118.5(4) . . ?
N7 C96 C95 120.6(4) . . ?
C95 C96 C97 120.9(4) . . ?
N8 C85 C86 116.8(4) . . ?
N8 C85 C84 122.0(4) . . ?
C86 C85 C84 121.2(4) . . ?
N1 C5 C6 118.6(3) . . ?
N1 C5 C4 120.7(4) . . ?
C6 C5 C4 120.8(4) . . ?
O2 C17 C12 122.9(4) . . ?
O2 C17 C16 117.5(4) . . ?
C12 C17 C16 119.4(4) . . ?
C101 O25 Y6 96.2(3) . . ?
C101 O25 Y7 123.0(4) . . ?
C32 C30 H30 106.3 . . ?
C32 C30 C27 111.5(4) . . ?
C32 C30 C31 111.0(4) . . ?
C27 C30 H30 106.3 . . ?
C27 C30 C31 114.8(4) . . ?
C31 C30 H30 106.3 . . ?
N6 C65 C66 116.8(3) . . ?
N6 C65 C64 122.6(4) . . ?
C66 C65 C64 120.6(4) . . ?
O5 C26 C27 122.7(4) . . ?
O5 C26 C25 117.7(4) . . ?
C27 C26 C25 119.6(4) . . ?
C92 C90 H90 106.3 . . ?
C92 C90 C91 113.3(4) . . ?
C87 C90 H90 106.3 . . ?
C87 C90 C92 113.0(4) . . ?
C87 C90 C91 111.1(4) . . ?
C91 C90 H90 106.3 . . ?
C67 C70 H70 106.2 . . ?
C67 C70 C71 110.3(4) . . ?
C67 C70 C72 112.7(4) . . ?
C71 C70 H70 106.2 . . ?
C72 C70 H70 106.2 . . ?
C72 C70 C71 114.4(4) . . ?
O9 C97 C96 118.4(4) . . ?
O9 C97 C92 122.9(4) . . ?
C92 C97 C96 118.7(4) . . ?
N1 C1 H1 118.6 . . ?
N1 C1 C2 122.8(5) . . ?
C2 C1 H1 118.6 . . ?
C97 C92 C90 118.8(4) . . ?
C97 C92 C93 119.5(4) . . ?
C93 C92 C90 121.7(4) . . ?
N9 C40 H40 118.3 . . ?
N9 C40 C39 123.3(5) . . ?
C39 C40 H40 118.3 . . ?
C86 C87 C90 119.7(4) . . ?
C86 C87 C88 119.0(4) . . ?
C88 C87 C90 121.2(4) . . ?
C52 C50 H50 106.5 . . ?
C52 C50 C51 109.6(4) . . ?
C47 C50 C52 112.2(4) . . ?
C47 C50 H50 106.5 . . ?
C47 C50 C51 115.1(4) . . ?
C51 C50 H50 106.5 . . ?
C85 C84 C89 117.6(4) . . ?
C83 C84 C85 118.0(4) . . ?
C83 C84 C89 124.3(4) . . ?
O7 C77 C76 118.7(4) . . ?
O7 C77 C72 122.8(4) . . ?
C72 C77 C76 118.5(4) . . ?
C26 C27 C30 119.0(4) . . ?
C26 C27 C28 119.4(4) . . ?
C28 C27 C30 121.5(4) . . ?
C65 C64 C69 117.8(4) . . ?
C63 C64 C65 116.7(5) . . ?
C63 C64 C69 125.4(4) . . ?
C46 C47 C50 119.1(3) . . ?
C46 C47 C48 118.7(4) . . ?
C48 C47 C50 122.2(4) . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.2(4) . . ?
C4 C3 H3 119.4 . . ?
C32 C33 H33 118.6 . . ?
C34 C33 C32 122.9(4) . . ?
C34 C33 H33 118.6 . . ?
N6 C61 H61 118.6 . . ?
N6 C61 C62 122.8(5) . . ?
C62 C61 H61 118.6 . . ?
N7 C100 H100 118.4 . . ?
N7 C100 C99 123.3(5) . . ?
C99 C100 H100 118.4 . . ?
C52 C53 H53 118.6 . . ?
C54 C53 C52 122.7(4) . . ?
C54 C53 H53 118.6 . . ?
O3 C46 C47 122.6(4) . . ?
O3 C46 C45 118.6(4) . . ?
C47 C46 C45 118.7(4) . . ?
C34 C35 C36 118.3(4) . . ?
C38 C35 C36 116.9(4) . . ?
C38 C35 C34 124.8(4) . . ?
O28 C102 O29 117.9(5) . . ?
O28 C102 Y8 52.9(3) . . ?
O30 C102 O28 120.4(5) . . ?
O30 C102 O29 121.7(6) . . ?
O30 C102 Y8 67.7(3) . . ?
O29 C102 Y8 169.4(5) . . ?
C6 C7 C10 119.6(4) . . ?
C6 C7 C8 118.8(4) . . ?
C8 C7 C10 121.6(4) . . ?
N8 C81 H81 117.9 . . ?
N8 C81 C82 124.3(4) . . ?
C82 C81 H81 117.9 . . ?
C7 C10 H10 106.4 . . ?
C7 C10 C12 113.9(4) . . ?
C7 C10 C11 114.2(4) . . ?
C12 C10 H10 106.4 . . ?
C12 C10 C11 109.0(5) . . ?
C11 C10 H10 106.4 . . ?
N10 C25 C26 118.1(4) . . ?
N10 C25 C24 121.9(5) . . ?
C24 C25 C26 119.9(5) . . ?
C102 O30 Y8 87.8(3) . . ?
C96 C95 C94 118.4(4) . . ?
C98 C95 C96 117.8(5) . . ?
C98 C95 C94 123.8(5) . . ?
C64 C69 H69 119.8 . . ?
C68 C69 C64 120.5(4) . . ?
C68 C69 H69 119.8 . . ?
C17 C12 C10 120.5(4) . . ?
C17 C12 C13 117.7(5) . . ?
C13 C12 C10 121.7(4) . . ?
N2 C16 C17 117.3(4) . . ?
N2 C16 C15 122.2(4) . . ?
C17 C16 C15 120.5(4) . . ?
C87 C88 H88 118.9 . . ?
C89 C88 C87 122.3(4) . . ?
C89 C88 H88 118.9 . . ?
C54 C55 C56 118.8(4) . . ?
C58 C55 C56 116.7(4) . . ?
C58 C55 C54 124.5(4) . . ?
C84 C83 H83 120.1 . . ?
C82 C83 C84 119.7(5) . . ?
C82 C83 H83 120.1 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C84 C89 H89 120.0 . . ?
C88 C89 C84 120.1(4) . . ?
C88 C89 H89 120.0 . . ?
C1 C2 H2 120.8 . . ?
C3 C2 C1 118.3(4) . . ?
C3 C2 H2 120.8 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C40 C39 H39 120.4 . . ?
C38 C39 C40 119.3(5) . . ?
C38 C39 H39 120.4 . . ?
C33 C34 C35 120.0(4) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
N3 C45 C46 117.4(3) . . ?
N3 C45 C44 121.8(4) . . ?
C44 C45 C46 120.8(4) . . ?
C64 C63 H63 120.0 . . ?
C62 C63 C64 119.9(4) . . ?
C62 C63 H63 120.0 . . ?
C3 C4 C5 117.1(4) . . ?
C9 C4 C5 118.9(4) . . ?
C9 C4 C3 124.0(4) . . ?
N5 C76 C77 118.4(4) . . ?
N5 C76 C75 121.0(4) . . ?
C75 C76 C77 120.5(5) . . ?
C35 C38 H38 120.1 . . ?
C39 C38 C35 119.8(4) . . ?
C39 C38 H38 120.1 . . ?
C77 C72 C70 119.1(4) . . ?
C77 C72 C73 118.8(5) . . ?
C73 C72 C70 122.1(5) . . ?
N2 C20 H20 118.1 . . ?
N2 C20 C19 123.8(6) . . ?
C19 C20 H20 118.1 . . ?
C92 C93 H93 118.6 . . ?
C94 C93 C92 122.7(5) . . ?
C94 C93 H93 118.6 . . ?
C47 C48 H48 118.7 . . ?
C49 C48 C47 122.6(5) . . ?
C49 C48 H48 118.7 . . ?
N3 C41 H41 119.3 . . ?
N3 C41 C42 121.4(5) . . ?
C42 C41 H41 119.3 . . ?
C67 C68 H68 118.7 . . ?
C69 C68 C67 122.5(4) . . ?
C69 C68 H68 118.7 . . ?
C100 C99 H99 120.8 . . ?
C98 C99 C100 118.4(5) . . ?
C98 C99 H99 120.8 . . ?
C61 C62 H62 120.1 . . ?
C63 C62 C61 119.8(5) . . ?
C63 C62 H62 120.1 . . ?
O11 N11 Y1 59.6(2) . . ?
O11 N11 O12 117.9(4) . . ?
O12 N11 Y1 59.3(2) . . ?
O13 N11 Y1 167.8(4) . . ?
O13 N11 O11 121.7(5) . . ?
O13 N11 O12 120.4(5) . . ?
C49 C44 C45 118.5(5) . . ?
C49 C44 C43 125.5(5) . . ?
C43 C44 C45 116.0(5) . . ?
O8 C101 Y6 55.2(2) . . ?
O25 C101 Y6 57.4(3) . . ?
O25 C101 O8 112.3(4) . . ?
O26 C101 Y6 175.0(5) . . ?
O26 C101 O8 127.1(6) . . ?
O26 C101 O25 120.6(6) . . ?
C95 C94 H94 120.2 . . ?
C93 C94 C95 119.7(4) . . ?
C93 C94 H94 120.2 . . ?
C48 C49 C44 120.6(4) . . ?
C48 C49 H49 119.7 . . ?
C44 C49 H49 119.7 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C53 C54 C55 120.1(4) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 H54 119.9 . . ?
C81 C82 H82 120.6 . . ?
C83 C82 C81 118.8(5) . . ?
C83 C82 H82 120.6 . . ?
N4 C60 H60 118.2 . . ?
N4 C60 C59 123.6(4) . . ?
C59 C60 H60 118.2 . . ?
C95 C98 H98 119.9 . . ?
C99 C98 C95 120.2(5) . . ?
C99 C98 H98 119.9 . . ?
N5 C80 H80 118.6 . . ?
N5 C80 C79 122.8(5) . . ?
C79 C80 H80 118.6 . . ?
N10 C21 H21 117.8 . . ?
N10 C21 C22 124.4(6) . . ?
C22 C21 H21 117.8 . . ?
C44 C43 H43 119.5 . . ?
C42 C43 C44 121.1(5) . . ?
C42 C43 H43 119.5 . . ?
C7 C8 H8 118.7 . . ?
C9 C8 C7 122.6(5) . . ?
C9 C8 H8 118.7 . . ?
C55 C58 H58 120.0 . . ?
C59 C58 C55 120.0(4) . . ?
C59 C58 H58 120.0 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C12 C13 H13 118.3 . . ?
C14 C13 C12 123.3(5) . . ?
C14 C13 H13 118.3 . . ?
C4 C9 H9 119.9 . . ?
C8 C9 C4 120.1(4) . . ?
C8 C9 H9 119.9 . . ?
C25 C24 C23 116.4(5) . . ?
C29 C24 C25 119.1(5) . . ?
C29 C24 C23 124.5(5) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0(5) . . ?
C43 C42 H42 120.0 . . ?
C27 C28 H28 118.9 . . ?
C29 C28 C27 122.1(5) . . ?
C29 C28 H28 118.9 . . ?
C21 C22 H22 120.5 . . ?
C23 C22 C21 118.9(6) . . ?
C23 C22 H22 120.5 . . ?
C14 C15 C16 119.1(5) . . ?
C14 C15 C18 123.5(5) . . ?
C18 C15 C16 117.4(5) . . ?
C60 C59 H59 120.6 . . ?
C58 C59 C60 118.8(5) . . ?
C58 C59 H59 120.6 . . ?
C13 C14 C15 119.2(5) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C20 C19 H19 120.2 . . ?
C18 C19 C20 119.6(6) . . ?
C18 C19 H19 120.2 . . ?
C15 C18 H18 120.2 . . ?
C19 C18 C15 119.6(5) . . ?
C19 C18 H18 120.2 . . ?
C24 C29 H29 120.1 . . ?
C28 C29 C24 119.8(5) . . ?
C28 C29 H29 120.1 . . ?
C80 C79 H79 120.5 . . ?
C78 C79 C80 119.0(5) . . ?
C78 C79 H79 120.5 . . ?
C24 C23 H23 119.6 . . ?
C22 C23 C24 120.9(6) . . ?
C22 C23 H23 119.6 . . ?
C74 C75 C76 118.6(5) . . ?
C74 C75 C78 124.5(6) . . ?
C78 C75 C76 116.9(6) . . ?
C72 C73 H73 118.3 . . ?
C74 C73 C72 123.4(6) . . ?
C74 C73 H73 118.3 . . ?
C75 C74 H74 120.0 . . ?
C73 C74 C75 120.1(6) . . ?
C73 C74 H74 120.0 . . ?
C79 C78 C75 121.1(6) . . ?
C79 C78 H78 119.5 . . ?
C75 C78 H78 119.5 . . ?
Y3 Y8 Y8 151.28(7) . 2_666 ?
Y2 Y8 Y3 56.14(3) . . ?
Y2 Y8 Y8 149.83(7) . 2_666 ?
O11 Y8 Y3 97.99(8) . . ?
O11 Y8 Y2 41.85(7) . . ?
O11 Y8 O28 141.90(13) . . ?
O11 Y8 O8 81.53(12) . . ?
O11 Y8 C102 117.37(14) . . ?
O11 Y8 O30 92.95(12) . . ?
O11 Y8 Y8 109.04(9) . 2_666 ?
O11 Y8 O14 137.7(3) . 2_666 ?
O28 Y8 Y3 83.57(11) . . ?
O28 Y8 Y2 125.74(12) . . ?
O28 Y8 O8 136.52(14) . . ?
O28 Y8 C102 24.53(13) . . ?
O28 Y8 O30 48.98(13) . . ?
O28 Y8 Y8 81.10(12) . 2_666 ?
O28 Y8 O14 66.9(3) . 2_666 ?
O8 Y8 Y3 93.88(10) . . ?
O8 Y8 Y2 85.56(10) . . ?
O8 Y8 C102 160.93(15) . . ?
O8 Y8 O30 174.45(14) . . ?
O8 Y8 Y8 81.04(11) . 2_666 ?
C102 Y8 Y3 86.29(14) . . ?
C102 Y8 Y2 109.96(13) . . ?
C102 Y8 Y8 89.67(14) . 2_666 ?
O30 Y8 Y3 87.39(11) . . ?
O30 Y8 Y2 90.68(11) . . ?
O30 Y8 C102 24.51(13) . . ?
O30 Y8 Y8 100.40(12) . 2_666 ?
O18 Y8 Y3 35.5(4) . . ?
O18 Y8 Y2 35.8(4) . . ?
O18 Y8 O11 71.7(4) . . ?
O18 Y8 O28 90.2(4) . . ?
O18 Y8 O8 112.3(4) . . ?
O18 Y8 C102 78.3(4) . . ?
O18 Y8 O30 66.0(4) . . ?
O18 Y8 O14 135.7(6) . . ?
O14 Y8 Y3 119.4(3) 2_666 . ?
O14 Y8 Y3 170.9(4) . . ?
O14 Y8 Y2 115.6(4) . . ?
O14 Y8 Y2 162.0(3) 2_666 . ?
O14 Y8 O11 73.8(4) . . ?
O14 Y8 O28 100.3(4) . . ?
O14 Y8 O8 88.9(4) . . ?
O14 Y8 O8 77.2(3) 2_666 . ?
O14 Y8 C102 86.1(3) 2_666 . ?
O14 Y8 C102 93.9(4) . . ?
O14 Y8 O30 106.9(3) 2_666 . ?
O14 Y8 O30 89.1(4) . . ?
Y2 O18 Y3 99.0(6) . . ?
Y2 O18 Y8 107.7(7) . . ?
Y8 O18 Y3 111.8(6) . . ?
N12 O15 Y7 113.2(15) . . ?
N12 O15 Y7 138.1(15) . 2_666 ?
Y7 O15 Y7 108.7(5) 2_666 . ?
N13 O14 Y8 139.6(13) 2_666 . ?
O12 N13 Y5 62.3(5) 2_666 . ?
O12 N13 O14 108.6(13) 2_666 2_666 ?
O14 N13 Y5 163.0(13) 2_666 . ?
O22 N13 Y5 55.3(9) . . ?
O11 N12 Y2 64.3(7) . . ?
O11 N12 O15 108.0(15) . . ?
O15 N12 Y2 166.7(18) . . ?
O16 N12 Y2 59.7(11) . . ?
O16 N12 O11 123.7(16) . . ?
O16 N12 O15 128.1(17) . . ?
Y5 O24 Y4 96.2(11) . . ?
Y7 O24 Y5 106.7(13) . . ?
Y7 O24 Y4 110.6(11) . . ?
Y5 O22 Y4 92.4(6) . . ?
N13 O22 Y5 95.6(10) . . ?
N13 O22 Y4 140.4(16) . . ?
Y4 O21 Y3 95.9(12) . . ?
Y2 O16 Y3 88.8(7) . . ?
N12 O16 Y3 164(2) . . ?
N12 O16 Y2 92.0(12) . . ?
Y5 Y7 Y4 56.41(5) . . ?
Y5 Y7 Y7 151.20(15) . 2_666 ?
Y4 Y7 Y7 149.34(13) . 2_666 ?
O12 Y7 Y5 41.63(9) 2_666 . ?
O12 Y7 Y4 89.85(12) 2_666 . ?
O12 Y7 O25 71.46(15) 2_666 . ?
O12 Y7 O15 141.1(5) 2_666 . ?
O12 Y7 Y7 110.91(18) 2_666 2_666 ?
O12 Y7 O19 128.6(6) 2_666 . ?
O28 Y7 Y5 105.07(15) . . ?
O28 Y7 Y4 96.26(16) . . ?
O28 Y7 O12 130.11(18) . 2_666 ?
O28 Y7 O25 155.7(2) . . ?
O28 Y7 O15 74.7(6) . . ?
O28 Y7 O15 103.4(7) . 2_666 ?
O28 Y7 O24 77.4(8) . . ?
O28 Y7 Y7 87.44(16) . 2_666 ?
O28 Y7 O19 84.0(6) . . ?
O25 Y7 Y5 84.42(14) . . ?
O25 Y7 Y4 70.05(13) . . ?
O25 Y7 O15 94.4(6) . . ?
O25 Y7 Y7 94.68(18) . 2_666 ?
O25 Y7 O19 72.2(6) . . ?
O15 Y7 Y5 176.3(5) . . ?
O15 Y7 Y5 112.2(4) 2_666 . ?
O15 Y7 Y4 119.9(5) . . ?
O15 Y7 Y4 159.7(7) 2_666 . ?
O15 Y7 O25 93.1(7) 2_666 . ?
O15 Y7 O15 71.3(5) 2_666 . ?
O15 Y7 Y7 32.3(4) . 2_666 ?
O15 Y7 Y7 39.0(4) 2_666 2_666 ?
O15 Y7 O19 143.3(7) 2_666 . ?
O24 Y7 Y5 36.9(8) . . ?
O24 Y7 Y4 37.1(7) . . ?
O24 Y7 O25 99.8(8) . . ?
O24 Y7 O15 140.4(10) . . ?
O24 Y7 Y7 164.8(8) . 2_666 ?
O24 Y7 O19 73.2(10) . . ?
O19 Y7 Y5 100.0(6) . . ?
O19 Y7 Y4 43.6(6) . . ?
O19 Y7 O15 76.4(7) . . ?
O19 Y7 Y7 107.2(6) . 2_666 ?
Y3 O19 Y4 85.4(7) . . ?
Y7 O19 Y3 143.1(10) . . ?
Y7 O19 Y4 97.5(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Y3 O6 C37 C36 123.2(3) . . . . ?
Y3 O6 C37 C32 -57.5(5) . . . . ?
Y3 O4 C57 C56 20.6(4) . . . . ?
Y3 O4 C57 C52 -156.4(3) . . . . ?
Y3 O7 C77 C76 4.7(5) . . . . ?
Y3 O7 C77 C72 -175.2(4) . . . . ?
Y3 O5 C26 C27 -43.3(7) . . . . ?
Y3 O5 C26 C25 138.4(4) . . . . ?
Y3 N4 C56 C57 -5.9(5) . . . . ?
Y3 N4 C56 C55 171.5(3) . . . . ?
Y3 N4 C60 C59 -174.9(5) . . . . ?
Y3 N5 C76 C77 -3.0(6) . . . . ?
Y3 N5 C76 C75 178.2(5) . . . . ?
Y3 N5 C80 C79 -178.7(5) . . . . ?
Y2 O6 C37 C36 -20.4(4) . . . . ?
Y2 O6 C37 C32 158.9(3) . . . . ?
Y2 O9 C97 C96 -2.6(5) . . . . ?
Y2 O9 C97 C92 177.7(3) . . . . ?
Y2 O11 N11 Y1 103.8(6) . . . . ?
Y2 O11 N11 O12 115.1(6) . . . . ?
Y2 O11 N11 O13 -62.1(9) . . . . ?
Y2 O11 N12 O15 -168(2) . . . . ?
Y2 O11 N12 O16 7(3) . . . . ?
Y2 O27 C66 C67 64.1(5) . . . . ?
Y2 O27 C66 C65 -117.1(3) . . . . ?
Y2 O7 C77 C76 -131.5(4) . . . . ?
Y2 O7 C77 C72 48.6(7) . . . . ?
Y2 N7 C96 C97 -1.8(5) . . . . ?
Y2 N7 C96 C95 177.2(3) . . . . ?
Y2 N7 C100 C99 -175.4(4) . . . . ?
Y2 N9 C36 C37 10.0(5) . . . . ?
Y2 N9 C36 C35 -170.0(3) . . . . ?
Y2 N9 C40 C39 172.6(5) . . . . ?
Y2 N12 O16 Y3 -93(6) . . . . ?
Y5 O1 C6 C5 132.1(4) . . . . ?
Y5 O1 C6 C7 -46.3(6) . . . . ?
Y5 O2 C17 C12 -52.4(6) . . . . ?
Y5 O2 C17 C16 132.3(4) . . . . ?
Y5 O10 C86 C85 -17.8(5) 2_666 . . . ?
Y5 O10 C86 C87 161.2(3) 2_666 . . . ?
Y5 O12 N11 Y1 99.4(3) 2_666 . . . ?
Y5 O12 N11 O11 88.0(5) 2_666 . . . ?
Y5 O12 N11 O13 -94.8(5) 2_666 . . . ?
Y5 O3 C46 C47 -175.4(3) . . . . ?
Y5 O3 C46 C45 4.3(5) . . . . ?
Y5 N8 C85 C86 5.4(4) 2_666 . . . ?
Y5 N8 C85 C84 -172.9(3) 2_666 . . . ?
Y5 N8 C81 C82 175.0(4) 2_666 . . . ?
Y5 N3 C45 C46 -2.4(5) . . . . ?
Y5 N3 C45 C44 178.2(4) . . . . ?
Y5 N3 C41 C42 -178.7(4) . . . . ?
Y5 N13 O22 Y4 100.6(18) . . . . ?
Y1 O1 C6 C5 -3.8(5) 2_666 . . . ?
Y1 O1 C6 C7 177.7(3) 2_666 . . . ?
Y1 O9 C97 C96 126.2(4) . . . . ?
Y1 O9 C97 C92 -53.6(6) . . . . ?
Y1 O11 N11 O12 11.3(4) . . . . ?
Y1 O11 N11 O13 -165.8(5) . . . . ?
Y1 O11 N12 Y2 -91.2(9) . . . . ?
Y1 O11 N12 O15 100(2) . . . . ?
Y1 O11 N12 O16 -85(3) . . . . ?
Y1 O10 C86 C85 122.7(3) . . . . ?
Y1 O10 C86 C87 -58.3(5) . . . . ?
Y1 O27 C66 C67 -156.0(3) . . . . ?
Y1 O27 C66 C65 22.7(4) . . . . ?
Y1 O12 N11 O11 -11.4(4) . . . . ?
Y1 O12 N11 O13 165.8(5) . . . . ?
Y1 N1 C5 C6 0.7(5) 2_666 . . . ?
Y1 N1 C5 C4 180.0(3) 2_666 . . . ?
Y1 N1 C1 C2 -179.3(4) 2_666 . . . ?
Y1 N6 C65 C66 -11.4(4) . . . . ?
Y1 N6 C65 C64 167.9(3) . . . . ?
Y1 N6 C61 C62 -170.2(4) . . . . ?
Y4 O4 C57 C56 -131.4(3) . . . . ?
Y4 O4 C57 C52 51.6(5) . . . . ?
Y4 O2 C17 C12 155.6(3) . . . . ?
Y4 O2 C17 C16 -19.7(5) . . . . ?
Y4 O5 C26 C27 169.4(3) . . . . ?
Y4 O5 C26 C25 -8.8(5) . . . . ?
Y4 O3 C46 C47 47.8(6) . . . . ?
Y4 O3 C46 C45 -132.5(3) . . . . ?
Y4 N10 C25 C26 8.1(6) . . . . ?
Y4 N10 C25 C24 -171.7(5) . . . . ?
Y4 N10 C21 C22 172.2(6) . . . . ?
Y4 N2 C16 C17 4.9(6) . . . . ?
Y4 N2 C16 C15 -173.3(5) . . . . ?
Y4 N2 C20 C19 175.7(6) . . . . ?
Y6 O28 C102 O30 -3.9(10) . . . . ?
Y6 O28 C102 O29 175.7(5) . . . . ?
Y6 O13 N11 Y1 -77(2) . . . . ?
Y6 O13 N11 Y1 102.9(19) 2_666 . . . ?
Y6 O13 N11 O11 -164.7(3) 2_666 . . . ?
Y6 O13 N11 O11 15.7(7) . . . . ?
Y6 O13 N11 O12 -161.4(3) . . . . ?
Y6 O13 N11 O12 18.2(7) 2_666 . . . ?
Y6 O8 C101 O25 6.2(5) . . . . ?
Y6 O8 C101 O26 -174.5(6) . . . . ?
Y6 O25 C101 O8 -6.1(5) . . . . ?
Y6 O25 C101 O26 174.6(5) . . . . ?
O1 C6 C5 N1 2.0(6) . . . . ?
O1 C6 C5 C4 -177.2(4) . . . . ?
O1 C6 C7 C10 -1.2(7) . . . . ?
O1 C6 C7 C8 178.9(5) . . . . ?
O6 C37 C36 N9 5.3(5) . . . . ?
O6 C37 C36 C35 -174.7(4) . . . . ?
O6 C37 C32 C30 -4.8(6) . . . . ?
O6 C37 C32 C33 176.6(4) . . . . ?
O4 C57 C56 N4 -8.2(5) . . . . ?
O4 C57 C56 C55 174.3(4) . . . . ?
O4 C57 C52 C50 7.7(6) . . . . ?
O4 C57 C52 C53 -174.2(4) . . . . ?
O9 C97 C92 C90 -0.3(7) . . . . ?
O9 C97 C92 C93 176.9(4) . . . . ?
O2 C17 C12 C10 -9.9(7) . . . . ?
O2 C17 C12 C13 174.4(4) . . . . ?
O2 C17 C16 N2 8.3(7) . . . . ?
O2 C17 C16 C15 -173.5(5) . . . . ?
O11 N12 O16 Y3 -99(6) . . . . ?
O11 N12 O16 Y2 -7(3) . . . . ?
O10 C86 C85 N8 6.9(5) . . . . ?
O10 C86 C85 C84 -174.8(4) . . . . ?
O10 C86 C87 C90 -8.4(6) . . . . ?
O10 C86 C87 C88 175.5(4) . . . . ?
O27 C66 C67 C70 6.2(6) . . . . ?
O27 C66 C67 C68 -176.8(3) . . . . ?
O27 C66 C65 N6 -5.8(5) . . . . ?
O27 C66 C65 C64 174.9(3) . . . . ?
O7 C77 C76 N5 -1.1(7) . . . . ?
O7 C77 C76 C75 177.7(6) . . . . ?
O7 C77 C72 C70 0.7(7) . . . . ?
O7 C77 C72 C73 -179.8(6) . . . . ?
O5 C26 C27 C30 -0.8(7) . . . . ?
O5 C26 C27 C28 179.8(5) . . . . ?
O5 C26 C25 N10 0.1(6) . . . . ?
O5 C26 C25 C24 180.0(5) . . . . ?
O12 N13 O22 Y5 -5.3(18) 2_666 . . . ?
O12 N13 O22 Y4 95(2) 2_666 . . . ?
O3 C46 C45 N3 -1.2(6) . . . . ?
O3 C46 C45 C44 178.2(4) . . . . ?
N1 C5 C4 C3 -0.9(7) . . . . ?
N1 C5 C4 C9 178.6(5) . . . . ?
N1 C1 C2 C3 -0.4(8) . . . . ?
N4 C56 C55 C54 -174.6(4) . . . . ?
N4 C56 C55 C58 4.6(7) . . . . ?
N4 C60 C59 C58 4.2(10) . . . . ?
N6 C65 C64 C69 -175.4(4) . . . . ?
N6 C65 C64 C63 4.1(6) . . . . ?
N6 C61 C62 C63 3.2(8) . . . . ?
O28 C102 O30 Y8 5.1(6) . . . . ?
N7 C96 C97 O9 2.9(6) . . . . ?
N7 C96 C97 C92 -177.3(4) . . . . ?
N7 C96 C95 C94 179.0(5) . . . . ?
N7 C96 C95 C98 -2.1(7) . . . . ?
N7 C100 C99 C98 -1.0(8) . . . . ?
N9 C36 C35 C34 175.8(4) . . . . ?
N9 C36 C35 C38 -4.3(7) . . . . ?
N9 C40 C39 C38 -2.5(10) . . . . ?
N8 C85 C84 C83 -3.3(6) . . . . ?
N8 C85 C84 C89 175.7(4) . . . . ?
N8 C81 C82 C83 -2.6(9) . . . . ?
N10 C25 C24 C29 179.7(6) . . . . ?
N10 C25 C24 C23 -0.8(10) . . . . ?
N10 C21 C22 C23 -2.0(13) . . . . ?
N5 C76 C75 C74 -179.6(8) . . . . ?
N5 C76 C75 C78 -0.2(12) . . . . ?
N5 C80 C79 C78 1.4(12) . . . . ?
N3 C45 C44 C49 -179.5(5) . . . . ?
N3 C45 C44 C43 1.5(7) . . . . ?
N3 C41 C42 C43 -0.6(10) . . . . ?
N2 C16 C15 C14 173.6(6) . . . . ?
N2 C16 C15 C18 -4.0(10) . . . . ?
N2 C20 C19 C18 -3.1(14) . . . . ?
C37 C36 C35 C34 -4.2(6) . . . . ?
C37 C36 C35 C38 175.7(4) . . . . ?
C37 C32 C30 C27 117.9(4) . . . . ?
C37 C32 C30 C31 -112.7(4) . . . . ?
C37 C32 C33 C34 0.7(7) . . . . ?
C86 C85 C84 C83 178.4(4) . . . . ?
C86 C85 C84 C89 -2.6(6) . . . . ?
C86 C87 C88 C89 1.4(6) . . . . ?
C57 C56 C55 C54 2.7(7) . . . . ?
C57 C56 C55 C58 -178.1(4) . . . . ?
C57 C52 C50 C47 -118.5(4) . . . . ?
C57 C52 C50 C51 112.4(4) . . . . ?
C57 C52 C53 C54 -3.8(7) . . . . ?
C66 C67 C70 C71 111.9(5) . . . . ?
C66 C67 C70 C72 -118.8(4) . . . . ?
C66 C67 C68 C69 -0.3(6) . . . . ?
C66 C65 C64 C69 3.9(6) . . . . ?
C66 C65 C64 C63 -176.5(4) . . . . ?
C6 C5 C4 C3 178.4(4) . . . . ?
C6 C5 C4 C9 -2.1(7) . . . . ?
C6 C7 C10 C12 -69.4(6) . . . . ?
C6 C7 C10 C11 164.5(6) . . . . ?
C6 C7 C8 C9 -1.5(9) . . . . ?
C56 N4 C60 C59 -3.2(8) . . . . ?
C56 C57 C52 C50 -169.3(4) . . . . ?
C56 C57 C52 C53 8.8(6) . . . . ?
C56 C55 C54 C53 2.4(8) . . . . ?
C56 C55 C58 C59 -3.4(9) . . . . ?
C36 N9 C40 C39 0.1(9) . . . . ?
C36 C37 C32 C30 174.5(4) . . . . ?
C36 C37 C32 C33 -4.2(6) . . . . ?
C36 C35 C34 C33 0.8(7) . . . . ?
C36 C35 C38 C39 1.8(8) . . . . ?
C32 C37 C36 N9 -174.0(4) . . . . ?
C32 C37 C36 C35 6.0(6) . . . . ?
C32 C30 C27 C26 -71.6(5) . . . . ?
C32 C30 C27 C28 107.8(5) . . . . ?
C32 C33 C34 C35 1.0(7) . . . . ?
C67 C66 C65 N6 173.0(4) . . . . ?
C67 C66 C65 C64 -6.3(6) . . . . ?
C67 C70 C72 C77 67.4(6) . . . . ?
C67 C70 C72 C73 -112.1(7) . . . . ?
C52 C57 C56 N4 169.0(4) . . . . ?
C52 C57 C56 C55 -8.5(6) . . . . ?
C52 C50 C47 C46 67.6(5) . . . . ?
C52 C50 C47 C48 -112.4(5) . . . . ?
C52 C53 C54 C55 -2.0(8) . . . . ?
C96 N7 C100 C99 2.1(7) . . . . ?
C96 C97 C92 C90 179.9(4) . . . . ?
C96 C97 C92 C93 -2.8(7) . . . . ?
C96 C95 C94 C93 -0.6(9) . . . . ?
C96 C95 C98 C99 3.1(8) . . . . ?
C85 N8 C81 C82 1.7(8) . . . . ?
C85 C86 C87 C90 170.6(4) . . . . ?
C85 C86 C87 C88 -5.5(6) . . . . ?
C85 C84 C83 C82 2.4(7) . . . . ?
C85 C84 C89 C88 -1.6(6) . . . . ?
C5 N1 C1 C2 0.6(7) . . . . ?
C5 C6 C7 C10 -179.6(4) . . . . ?
C5 C6 C7 C8 0.5(7) . . . . ?
C5 C4 C9 C8 1.2(9) . . . . ?
C17 C12 C13 C14 3.7(8) . . . . ?
C17 C16 C15 C14 -4.5(9) . . . . ?
C17 C16 C15 C18 177.9(6) . . . . ?
C30 C32 C33 C34 -178.0(4) . . . . ?
C30 C27 C28 C29 -178.5(6) . . . . ?
C65 N6 C61 C62 -0.5(7) . . . . ?
C65 C66 C67 C70 -172.6(4) . . . . ?
C65 C66 C67 C68 4.4(6) . . . . ?
C65 C64 C69 C68 0.2(6) . . . . ?
C65 C64 C63 C62 -1.4(7) . . . . ?
C26 C27 C28 C29 0.9(9) . . . . ?
C26 C25 C24 C29 -0.1(9) . . . . ?
C26 C25 C24 C23 179.3(6) . . . . ?
C90 C92 C93 C94 177.5(5) . . . . ?
C90 C87 C88 C89 -174.6(4) . . . . ?
C70 C67 C68 C69 176.7(4) . . . . ?
C70 C72 C73 C74 -177.9(8) . . . . ?
C97 C96 C95 C94 -2.0(7) . . . . ?
C97 C96 C95 C98 176.9(4) . . . . ?
C97 C92 C93 C94 0.3(9) . . . . ?
C1 N1 C5 C6 -179.2(4) . . . . ?
C1 N1 C5 C4 0.1(6) . . . . ?
C92 C90 C87 C86 120.6(4) . . . . ?
C92 C90 C87 C88 -63.4(5) . . . . ?
C92 C93 C94 C95 1.5(10) . . . . ?
C40 N9 C36 C37 -176.6(4) . . . . ?
C40 N9 C36 C35 3.4(7) . . . . ?
C40 C39 C38 C35 1.4(9) . . . . ?
C87 C86 C85 N8 -172.2(4) . . . . ?
C87 C86 C85 C84 6.2(6) . . . . ?
C87 C90 C92 C97 -64.6(5) . . . . ?
C87 C90 C92 C93 118.2(5) . . . . ?
C87 C88 C89 C84 2.2(7) . . . . ?
C50 C52 C53 C54 174.3(4) . . . . ?
C50 C47 C46 O3 2.1(6) . . . . ?
C50 C47 C46 C45 -177.6(4) . . . . ?
C50 C47 C48 C49 178.1(5) . . . . ?
C84 C83 C82 C81 0.3(8) . . . . ?
C77 C76 C75 C74 1.7(12) . . . . ?
C77 C76 C75 C78 -178.9(8) . . . . ?
C77 C72 C73 C74 2.6(13) . . . . ?
C27 C26 C25 N10 -178.2(4) . . . . ?
C27 C26 C25 C24 1.7(7) . . . . ?
C27 C28 C29 C24 0.7(11) . . . . ?
C64 C69 C68 C67 -2.0(7) . . . . ?
C64 C63 C62 C61 -2.0(8) . . . . ?
C47 C46 C45 N3 178.6(4) . . . . ?
C47 C46 C45 C44 -2.1(6) . . . . ?
C47 C48 C49 C44 1.0(9) . . . . ?
C3 C4 C9 C8 -179.4(6) . . . . ?
C33 C32 C30 C27 -63.5(5) . . . . ?
C33 C32 C30 C31 65.9(5) . . . . ?
C61 N6 C65 C66 177.5(4) . . . . ?
C61 N6 C65 C64 -3.2(6) . . . . ?
C100 N7 C96 C97 -179.5(4) . . . . ?
C100 N7 C96 C95 -0.5(6) . . . . ?
C100 C99 C98 C95 -1.6(8) . . . . ?
C53 C52 C50 C47 63.5(5) . . . . ?
C53 C52 C50 C51 -65.6(5) . . . . ?
C46 C47 C48 C49 -1.9(8) . . . . ?
C46 C45 C44 C49 1.2(8) . . . . ?
C46 C45 C44 C43 -177.8(5) . . . . ?
C7 C6 C5 N1 -179.5(4) . . . . ?
C7 C6 C5 C4 1.3(6) . . . . ?
C7 C10 C12 C17 121.4(5) . . . . ?
C7 C10 C12 C13 -63.1(6) . . . . ?
C7 C8 C9 C4 0.6(10) . . . . ?
C81 N8 C85 C86 179.6(4) . . . . ?
C81 N8 C85 C84 1.3(6) . . . . ?
C10 C7 C8 C9 178.6(6) . . . . ?
C10 C12 C13 C14 -172.0(6) . . . . ?
C25 N10 C21 C22 0.8(9) . . . . ?
C25 C26 C27 C30 177.4(4) . . . . ?
C25 C26 C27 C28 -2.0(7) . . . . ?
C25 C24 C29 C28 -1.1(11) . . . . ?
C25 C24 C23 C22 -0.4(13) . . . . ?
C95 C96 C97 O9 -176.1(4) . . . . ?
C95 C96 C97 C92 3.7(6) . . . . ?
C69 C64 C63 C62 178.1(5) . . . . ?
C12 C17 C16 N2 -167.2(5) . . . . ?
C12 C17 C16 C15 11.0(7) . . . . ?
C12 C13 C14 C15 2.8(10) . . . . ?
C16 N2 C20 C19 4.3(11) . . . . ?
C16 C17 C12 C10 165.3(4) . . . . ?
C16 C17 C12 C13 -10.4(7) . . . . ?
C16 C15 C14 C13 -2.3(10) . . . . ?
C16 C15 C18 C19 5.2(13) . . . . ?
C55 C58 C59 C60 -0.6(10) . . . . ?
C83 C84 C89 C88 177.4(4) . . . . ?
C31 C30 C27 C26 161.1(4) . . . . ?
C31 C30 C27 C28 -19.5(7) . . . . ?
C89 C84 C83 C82 -176.5(5) . . . . ?
C2 C3 C4 C5 1.0(8) . . . . ?
C2 C3 C4 C9 -178.4(6) . . . . ?
C71 C70 C72 C77 -165.5(5) . . . . ?
C71 C70 C72 C73 15.0(8) . . . . ?
C34 C35 C38 C39 -178.3(5) . . . . ?
C45 N3 C41 C42 0.3(8) . . . . ?
C45 C44 C49 C48 -0.6(9) . . . . ?
C45 C44 C43 C42 -1.8(9) . . . . ?
C63 C64 C69 C68 -179.3(5) . . . . ?
C4 C3 C2 C1 -0.4(8) . . . . ?
C76 N5 C80 C79 0.1(9) . . . . ?
C76 C77 C72 C70 -179.2(5) . . . . ?
C76 C77 C72 C73 0.3(9) . . . . ?
C76 C75 C74 C73 1.1(15) . . . . ?
C76 C75 C78 C79 1.7(15) . . . . ?
C38 C35 C34 C33 -179.1(5) . . . . ?
C72 C77 C76 N5 178.9(5) . . . . ?
C72 C77 C76 C75 -2.3(8) . . . . ?
C72 C73 C74 C75 -3.4(16) . . . . ?
C20 N2 C16 C17 177.5(5) . . . . ?
C20 N2 C16 C15 -0.6(9) . . . . ?
C20 C19 C18 C15 -1.9(15) . . . . ?
C48 C47 C46 O3 -177.9(4) . . . . ?
C48 C47 C46 C45 2.3(6) . . . . ?
C41 N3 C45 C46 178.5(4) . . . . ?
C41 N3 C45 C44 -0.8(7) . . . . ?
C68 C67 C70 C71 -65.0(5) . . . . ?
C68 C67 C70 C72 64.3(5) . . . . ?
C44 C43 C42 C41 1.3(10) . . . . ?
C94 C95 C98 C99 -178.1(6) . . . . ?
C49 C44 C43 C42 179.3(7) . . . . ?
C91 C90 C92 C97 167.9(4) . . . . ?
C91 C90 C92 C93 -9.3(7) . . . . ?
C91 C90 C87 C86 -110.8(4) . . . . ?
C91 C90 C87 C88 65.2(5) . . . . ?
C54 C55 C58 C59 175.7(6) . . . . ?
C60 N4 C56 C57 -178.7(4) . . . . ?
C60 N4 C56 C55 -1.3(7) . . . . ?
C98 C95 C94 C93 -179.4(6) . . . . ?
C80 N5 C76 C77 178.1(5) . . . . ?
C80 N5 C76 C75 -0.7(8) . . . . ?
C80 C79 C78 C75 -2.3(16) . . . . ?
C21 N10 C25 C26 -179.5(5) . . . . ?
C21 N10 C25 C24 0.7(8) . . . . ?
C21 C22 C23 C24 1.7(14) . . . . ?
C43 C44 C49 C48 178.3(6) . . . . ?
C8 C7 C10 C12 110.5(6) . . . . ?
C8 C7 C10 C11 -15.6(8) . . . . ?
C58 C55 C54 C53 -176.6(5) . . . . ?
C51 C50 C47 C46 -166.2(4) . . . . ?
C51 C50 C47 C48 13.9(7) . . . . ?
O29 C102 O30 Y8 -174.5(7) . . . . ?
C14 C15 C18 C19 -172.3(9) . . . . ?
C11 C10 C12 C17 -109.8(5) . . . . ?
C11 C10 C12 C13 65.7(6) . . . . ?
C18 C15 C14 C13 175.1(8) . . . . ?
C29 C24 C23 C22 179.0(9) . . . . ?
C23 C24 C29 C28 179.6(8) . . . . ?
C74 C75 C78 C79 -178.9(11) . . . . ?
C78 C75 C74 C73 -178.2(11) . . . . ?
Y8 O28 C102 O30 -5.9(8) . . . . ?
Y8 O28 C102 O29 173.7(6) . . . . ?
Y8 O8 C101 O25 0.7(6) . . . . ?
Y8 O8 C101 O26 180.0(5) . . . . ?
O15 N12 O16 Y3 74(7) . . . . ?
O15 N12 O16 Y2 167(3) . . . . ?
O14 N13 O22 Y5 161(2) 2_666 . . . ?
O14 N13 O22 Y4 -99(3) 2_666 . . . ?
Y7 O28 C102 O30 -45.2(14) . . . . ?
Y7 O28 C102 O29 134.5(8) . . . . ?
Y7 O25 C101 O8 7.4(6) . . . . ?
Y7 O25 C101 O26 -171.9(5) . . . . ?
Y7 O15 N12 Y2 108(7) . . . . ?
Y7 O15 N12 Y2 -73(9) 2_666 . . . ?
Y7 O15 N12 O11 -20(4) 2_666 . . . ?
Y7 O15 N12 O11 160.1(14) . . . . ?
Y7 O15 N12 O16 -14(4) . . . . ?
Y7 O15 N12 O16 165(3) 2_666 . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.121 -0.887 1898.8 368.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
