# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2223655'
loop_
_audit_author_name
_audit_author_address
'Chen Zhao'
;CIAC
China
;
_audit_update_record             
;
2023-07-07 deposited with the CCDC.	2023-07-10 downloaded from the CCDC.
;
_audit_creation_date             2023-06-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C120 H94 Dy2 N12 O4, 2(C24 H20 B), 2(C2 H3 N), 1.5[CH3CN], 1[CH3OH], 2[CH3CN], 1.5[CH3CN]'
_chemical_formula_sum            'C183 H159 B2 Dy2 N19 O5'
_chemical_formula_weight         3050.90
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   29.7238(10)
_cell_length_b                   17.4037(6)
_cell_length_c                   62.791(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.2170(10)
_cell_angle_gamma                90
_cell_volume                     31621.5(19)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    180.00
_cell_measurement_theta_max      22.625
_cell_measurement_theta_min      2.277
_shelx_estimated_absorpt_T_max   0.971
_shelx_estimated_absorpt_T_min   0.753
_exptl_absorpt_coefficient_mu    1.001
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1223 before and 0.0925 after correction.
The Ratio of minimum to maximum transmission is 0.8065.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             12576
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_unetI/netI     0.0701
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       74
_diffrn_reflns_limit_l_min       -74
_diffrn_reflns_number            160554
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.083
_diffrn_reflns_theta_max         25.083
_diffrn_reflns_theta_min         1.904
_diffrn_ambient_temperature      180.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.923
_reflns_Friedel_fraction_full    0.987
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                47044
_reflns_number_total             55747
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.773
_refine_diff_density_min         -0.764
_refine_diff_density_rms         0.074
_refine_ls_abs_structure_details 
;
 Flack x determined using 19349 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.004(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3496
_refine_ls_number_reflns         55747
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.028
_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)+(0.0186P)²+53.2736P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0843
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Y: Dy1(0.601301)
2.a Ternary CH refined with riding coordinates:
 C40(H40), C47(H47), C209(H209), C167(H167), C67(H67), C202(H202), C74(H74),
 C26(H26), C153(H153), C146(H146), C174(H174), C181(H181), C19(H19), C95(H95),
 C88(H88), C188(H188)
2.b Aromatic/amide H refined with riding coordinates:
 C81(H81), C35(H35), C197(H197), C84(H84), C39(H39), C201(H201), C143(H143),
 C54(H54), C222(H222), C195(H195), C87(H87), C76(H76), C224(H224), C101(H101),
 C102(H102), C159(H159), C83(H83), C145(H145), C164(H164), C60(H60), C132(H132),
  C314(H314), C36(H36), C105(H105), C66(H66), C166(H166), C85(H85), C37(H37),
 C287(H287), C218(H218), C298(H298), C142(H142), C63(H63), C128(H128), C21(H21),
  C129(H129), C300(H300), C199(H199), C276(H276), C172(H172), C272(H272),
 C308(H308), C173(H173), C160(H160), C14(H14), C216(H216), C315(H315),
 C291(H291), C230(H230), C198(H198), C163(H163), C6(H6), C290(H290), C152(H152),
  C80(H80), C139(H139), C316(H316), C97(H97), C322(H322), C116(H116),
 C220(H220), C138(H138), C299(H299), C215(H215), C284(H284), C131(H131),
 C69(H69), C169(H169), C318(H318), C204(H204), C134(H134), C288(H288),
 C274(H274), C16(H16), C190(H190), C121(H121), C17(H17), C78(H78), C2(H2),
 C56(H56), C141(H141), C158(H158), C296(H296), C273(H273), C137(H137), C58(H58),
  C25(H25), C57(H57), C323(H323), C223(H223), C90(H90), C312(H312), C64(H64),
 C1(H1), C122(H122), C49(H49), C240(H240), C282(H282), C91(H91), C228(H228),
 C42(H42), C171(H171), C148(H148), C311(H311), C248(H248), C50(H50), C306(H306),
  C324(H324), C107(H107), C120(H120), C112(H112), C155(H155), C178(H178),
 C110(H110), C179(H179), C236(H236), C113(H113), C22(H22), C211(H211),
 C183(H183), C176(H176), C334(H334), C170(H170), C219(H219), C18(H18),
 C292(H292), C73(H73), C205(H205), C194(H194), C275(H275), C214(H214),
 C106(H106), C12(H12), C320(H320), C333(H333), C212(H212), C327(H327),
 C249(H249), C294(H294), C239(H239), C70(H70), C130(H130), C114(H114),
 C293(H293), C117(H117), C111(H111), C162(H162), C208(H208), C136(H136),
 C32(H32), C53(H53), C51(H51), C302(H302), C237(H237), C309(H309), C207(H207),
 C8(H8), C281(H281), C280(H280), C328(H328), C46(H46), C297(H297), C238(H238),
 C100(H100), C234(H234), C278(H278), C246(H246), C28(H28), C336(H336),
 C149(H149), C77(H77), C231(H231), C305(H305), C119(H119), C118(H118),
 C310(H310), C206(H206), C24(H24), C243(H243), C11(H11), C244(H244), C279(H279),
  C269(H269), C330(H330), C332(H332), C193(H193), C71(H71), C266(H266),
 C92(H92), C23(H23), C43(H43), C260(H260), C303(H303), C52(H52), C151(H151),
 C268(H268), C10(H10), C267(H267), C245(H245), C9(H9), C304(H304), C261(H261),
 C31(H31), C191(H191), C263(H263), C232(H232), C264(H264), C94(H94), C177(H177),
  C329(H329), C156(H156), C45(H45), C72(H72), C99(H99), C186(H186), C44(H44),
 C257(H257), C98(H98), C256(H256), C254(H254), C255(H255), C185(H185), C29(H29),
  C187(H187), C33(H33), C270(H270), C317(H317), C126(H126), C15(H15),
 C150(H150), C213(H213), C62(H62), C326(H326), C192(H192), C157(H157),
 C184(H184), C93(H93), C321(H321), C30(H30), C242(H242), C79(H79), C250(H250),
 C251(H251), C135(H135), C252(H252), C335(H335), C262(H262), C233(H233),
 C285(H285), C286(H286), C180(H180), C258(H258)
2.c Idealised Me refined as rotating group:
 C340(H34D,H34E,H34F), C342(H34A,H34B,H34C), C338(H33A,H33B,H33C), C344(H34G,
 H34H,H34I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Dy3 Dy 0.74513(2) 0.49629(3) 0.15081(2) 0.02350(7) Uani 1 1 d . . . . .
Dy2 Dy 0.53694(2) 0.41265(3) 0.34908(2) 0.02486(8) Uani 1 1 d . . . . .
Dy4 Dy 0.85779(2) 0.49547(3) 0.12000(2) 0.02439(8) Uani 1 1 d . . . . .
Dy1 Dy 0.61464(2) 0.601301 0.38074(2) 0.02566(8) Uani 1 1 d . . . . .
O8 O 0.91425(15) 0.5010(3) 0.10329(7) 0.0348(11) Uani 1 1 d . . . . .
N24 N 0.8581(2) 0.6457(3) 0.12600(9) 0.0233(13) Uani 1 1 d . . . . .
O1 O 0.65793(17) 0.6935(3) 0.39697(9) 0.0373(13) Uani 1 1 d . . . . .
N7 N 0.49375(19) 0.5167(3) 0.32217(9) 0.0265(14) Uani 1 1 d . . . . .
O5 O 0.68841(15) 0.4989(3) 0.16773(7) 0.0321(11) Uani 1 1 d . . . . .
O4 O 0.49825(17) 0.3148(3) 0.33190(8) 0.0335(12) Uani 1 1 d . . . . .
N4 N 0.66223(19) 0.5107(3) 0.41297(9) 0.0268(14) Uani 1 1 d . . . . .
O6 O 0.81744(16) 0.5077(4) 0.14614(8) 0.0464(15) Uani 1 1 d . . . . .
O2 O 0.56926(19) 0.4972(4) 0.37534(8) 0.0469(14) Uani 1 1 d . . . . .
N22 N 0.8086(2) 0.4310(3) 0.08328(10) 0.0306(15) Uani 1 1 d . . . . .
N20 N 0.91131(19) 0.4041(4) 0.15026(9) 0.0259(14) Uani 1 1 d . . . . .
N14 N 0.79509(19) 0.3991(3) 0.17806(9) 0.0266(14) Uani 1 1 d . . . . .
N12 N 0.55430(19) 0.4222(3) 0.31015(9) 0.0270(13) Uani 1 1 d . . . . .
N17 N 0.70625(19) 0.5906(3) 0.11989(9) 0.0260(13) Uani 1 1 d . . . . .
O7 O 0.78620(17) 0.4831(4) 0.12508(8) 0.0467(15) Uani 1 1 d . . . . .
N10 N 0.58737(19) 0.3292(3) 0.37951(10) 0.0266(14) Uani 1 1 d . . . . .
N8 N 0.45985(19) 0.4770(3) 0.35633(9) 0.0286(15) Uani 1 1 d . . . . .
N23 N 0.81255(19) 0.5861(3) 0.08758(9) 0.0257(14) Uani 1 1 d . . . . .
N18 N 0.75450(19) 0.6468(3) 0.15767(10) 0.0250(13) Uani 1 1 d . . . . .
N16 N 0.67751(19) 0.4441(3) 0.11867(9) 0.0234(13) Uani 1 1 d . . . . .
N9 N 0.5012(2) 0.3595(3) 0.38116(9) 0.0270(14) Uani 1 1 d . . . . .
O3 O 0.5823(2) 0.5179(3) 0.35446(8) 0.0478(16) Uani 1 1 d . . . . .
N13 N 0.7870(2) 0.5450(3) 0.18962(9) 0.0251(13) Uani 1 1 d . . . . .
N1 N 0.5732(2) 0.7063(3) 0.35141(10) 0.0263(14) Uani 1 1 d . . . . .
N2 N 0.5343(2) 0.6610(3) 0.38370(10) 0.0304(15) Uani 1 1 d . . . . .
N11 N 0.6129(2) 0.3462(3) 0.34174(9) 0.0243(13) Uani 1 1 d . . . . .
N15 N 0.7330(2) 0.3430(3) 0.14360(10) 0.0277(14) Uani 1 1 d . . . . .
C86 C 0.5751(2) 0.3134(4) 0.39819(12) 0.0292(17) Uani 1 1 d . . . . .
N5 N 0.68640(19) 0.5213(3) 0.37425(9) 0.0278(14) Uani 1 1 d . . . . .
N3 N 0.5855(2) 0.5851(3) 0.41822(9) 0.0292(14) Uani 1 1 d . . . . .
N6 N 0.6521(2) 0.6368(4) 0.34689(10) 0.0324(15) Uani 1 1 d . . . . .
C165 C 0.7197(3) 0.6651(4) 0.12019(11) 0.0289(17) Uani 1 1 d . . . . .
C144 C 0.7983(3) 0.3247(4) 0.17282(11) 0.0288(17) Uani 1 1 d . . . . .
C81 C 0.6432(2) 0.3202(4) 0.35781(12) 0.0295(17) Uani 1 1 d . . . . .
H81 H 0.673002 0.306634 0.355898 0.035 Uiso 1 1 calc R U . . .
C35 C 0.7307(3) 0.4754(4) 0.34937(12) 0.0339(19) Uani 1 1 d . . . . .
H35 H 0.737759 0.477933 0.335379 0.041 Uiso 1 1 calc R U . . .
C40 C 0.6493(2) 0.4954(5) 0.43444(11) 0.0340(17) Uani 1 1 d . . . . .
H40 H 0.632074 0.445638 0.433096 0.041 Uiso 1 1 calc R U . . .
C197 C 0.8580(3) 0.2184(4) 0.13469(13) 0.0350(19) Uani 1 1 d . . . . .
H197 H 0.875044 0.187075 0.146105 0.042 Uiso 1 1 calc R U . . .
C226 C 0.9291(2) 0.5154(4) 0.08541(11) 0.0318(19) Uani 1 1 d . . . . .
C227 C 0.9419(2) 0.5892(4) 0.08049(12) 0.0280(17) Uani 1 1 d . . . . .
C84 C 0.6497(3) 0.2665(5) 0.41587(14) 0.044(2) Uani 1 1 d . . . . .
H84 H 0.670779 0.245872 0.428241 0.053 Uiso 1 1 calc R U . . .
C61 C 0.4631(3) 0.5629(4) 0.32788(12) 0.0311(18) Uani 1 1 d . . . . .
C39 C 0.6944(3) 0.4683(4) 0.40965(12) 0.0354(19) Uani 1 1 d . . . . .
H39 H 0.710000 0.435370 0.421035 0.043 Uiso 1 1 calc R U . . .
C133 C 0.6922(3) 0.3839(4) 0.19982(13) 0.0361(19) Uani 1 1 d . . . . .
C123 C 0.6499(3) 0.4013(5) 0.18291(12) 0.0357(19) Uani 1 1 d . . . . .
N21 N 0.8457(2) 0.3429(3) 0.11797(10) 0.0267(14) Uani 1 1 d . . . . .
C201 C 0.7969(3) 0.3621(4) 0.08286(12) 0.0296(18) Uani 1 1 d . . . . .
H201 H 0.776375 0.342121 0.070228 0.036 Uiso 1 1 calc R U . . .
C200 C 0.8146(3) 0.3114(4) 0.10161(12) 0.0308(17) Uani 1 1 d . . . . .
C55 C 0.5144(3) 0.6412(4) 0.39995(12) 0.0296(18) Uani 1 1 d . . . . .
C143 C 0.8318(2) 0.2741(4) 0.18515(12) 0.0331(18) Uani 1 1 d . . . . .
H143 H 0.833725 0.221928 0.181021 0.040 Uiso 1 1 calc R U . . .
N19 N 0.9189(2) 0.5587(3) 0.15352(10) 0.0275(14) Uani 1 1 d . . . . .
C54 C 0.5444(2) 0.6014(4) 0.41868(11) 0.0281(16) Uani 1 1 d . . . . .
H54 H 0.532716 0.588155 0.431079 0.034 Uiso 1 1 calc R U . . .
C222 C 0.9143(3) 0.6277(4) 0.15888(12) 0.0314(18) Uani 1 1 d . . . . .
H222 H 0.933474 0.647489 0.171932 0.038 Uiso 1 1 calc R U . . .
C47 C 0.6164(2) 0.5595(4) 0.43876(11) 0.0304(17) Uani 1 1 d . . . . .
H47 H 0.636278 0.604491 0.444725 0.036 Uiso 1 1 calc R U . . .
C4 C 0.6864(3) 0.7201(4) 0.41479(13) 0.0348(19) Uani 1 1 d . . . . .
C195 C 0.9022(2) 0.3331(4) 0.15097(12) 0.0316(18) Uani 1 1 d . . . . .
H195 H 0.919292 0.302958 0.162679 0.038 Uiso 1 1 calc R U . . .
C217 C 0.8315(2) 0.6932(4) 0.11171(12) 0.0286(17) Uani 1 1 d . . . . .
C3 C 0.7349(3) 0.7088(5) 0.41877(14) 0.040(2) Uani 1 1 d . . . . .
C87 C 0.5256(3) 0.3255(4) 0.39745(13) 0.0340(19) Uani 1 1 d . . . . .
H87 H 0.512467 0.308096 0.409025 0.041 Uiso 1 1 calc R U . . .
C209 C 0.7845(2) 0.5577(4) 0.06651(11) 0.0281(17) Uani 1 1 d . . . . .
H209 H 0.751399 0.558660 0.067503 0.034 Uiso 1 1 calc R U . . .
C38 C 0.7081(3) 0.4684(4) 0.38884(12) 0.0321(18) Uani 1 1 d . . . . .
C221 C 0.8800(3) 0.6769(4) 0.14530(12) 0.0293(17) Uani 1 1 d . . . . .
C167 C 0.7788(2) 0.6805(4) 0.17943(10) 0.0228(15) Uani 1 1 d . . . . .
H167 H 0.812341 0.685739 0.179529 0.027 Uiso 1 1 calc R U . . .
C76 C 0.6978(3) 0.2866(5) 0.31459(12) 0.0340(18) Uani 1 1 d . . . . .
H76 H 0.712078 0.335741 0.316705 0.041 Uiso 1 1 calc R U . . .
C224 C 0.9400(3) 0.4767(5) 0.04943(13) 0.047(2) Uani 1 1 d . . . . .
H224 H 0.940055 0.437261 0.038985 0.056 Uiso 1 1 calc R U . . .
C101 C 0.3571(3) 0.4228(6) 0.35313(13) 0.050(2) Uani 1 1 d . . . . .
H101 H 0.369658 0.383940 0.345573 0.059 Uiso 1 1 calc R U . . .
C189 C 0.9917(3) 0.3838(4) 0.17233(13) 0.0341(18) Uani 1 1 d . . . . .
C75 C 0.6522(3) 0.2801(4) 0.31518(11) 0.0281(17) Uani 1 1 d . . . . .
C59 C 0.5094(2) 0.7057(4) 0.36798(12) 0.0315(18) Uani 1 1 d . . . . .
C67 C 0.5800(2) 0.3594(4) 0.30258(11) 0.0266(16) Uani 1 1 d . . . . .
H67 H 0.561551 0.311288 0.302453 0.032 Uiso 1 1 calc R U . . .
C102 C 0.4448(3) 0.5378(4) 0.34645(12) 0.0315(18) Uani 1 1 d . . . . .
H102 H 0.421766 0.567265 0.351004 0.038 Uiso 1 1 calc R U . . .
C202 C 0.7965(2) 0.4743(4) 0.06213(11) 0.0269(17) Uani 1 1 d . . . . .
H202 H 0.824927 0.475919 0.056189 0.032 Uiso 1 1 calc R U . . .
C159 C 0.6292(3) 0.3292(4) 0.08032(12) 0.0326(18) Uani 1 1 d . . . . .
H159 H 0.659504 0.338366 0.078429 0.039 Uiso 1 1 calc R U . . .
C83 C 0.6638(3) 0.2818(4) 0.39693(12) 0.0328(18) Uani 1 1 d . . . . .
H83 H 0.694772 0.272359 0.396031 0.039 Uiso 1 1 calc R U . . .
C210 C 0.7884(3) 0.6062(4) 0.04689(12) 0.0353(18) Uani 1 1 d . . . . .
C48 C 0.5937(3) 0.5322(5) 0.45687(12) 0.0376(19) Uani 1 1 d . . . . .
C145 C 0.7636(3) 0.2970(4) 0.15442(12) 0.0338(18) Uani 1 1 d . . . . .
H145 H 0.763335 0.244391 0.150323 0.041 Uiso 1 1 calc R U . . .
C34 C 0.6990(2) 0.5258(4) 0.35479(12) 0.0330(18) Uani 1 1 d . . . . .
C164 C 0.7078(3) 0.7132(4) 0.10210(12) 0.0341(18) Uani 1 1 d . . . . .
H164 H 0.718654 0.764704 0.102851 0.041 Uiso 1 1 calc R U . . .
C196 C 0.8667(3) 0.2967(4) 0.13447(12) 0.0304(17) Uani 1 1 d . . . . .
C60 C 0.5330(3) 0.7293(4) 0.35106(13) 0.0339(19) Uani 1 1 d . . . . .
H60 H 0.517811 0.762424 0.339654 0.041 Uiso 1 1 calc R U . . .
C132 C 0.5729(3) 0.5569(6) 0.11970(14) 0.048(2) Uani 1 1 d . . . . .
H132 H 0.556496 0.511865 0.113975 0.058 Uiso 1 1 calc R U . . .
C314 C 0.7606(3) 0.9399(5) 0.10724(14) 0.049(2) Uani 1 1 d . . . . .
H314 H 0.791353 0.954644 0.107279 0.058 Uiso 1 1 calc R U . . .
C295 C 0.9277(3) -0.0581(4) 0.19546(13) 0.0343(19) Uani 1 1 d . . . . .
C65 C 0.5082(3) 0.5339(4) 0.30416(13) 0.0338(18) Uani 1 1 d . . . . .
C36 C 0.7518(3) 0.4216(5) 0.36447(13) 0.0386(19) Uani 1 1 d . . . . .
H36 H 0.773319 0.386267 0.360874 0.046 Uiso 1 1 calc R U . . .
C96 C 0.3867(2) 0.4638(4) 0.36930(12) 0.0338(18) Uani 1 1 d . . . . .
C105 C 0.3779(3) 0.2587(5) 0.31763(14) 0.044(2) Uani 1 1 d . . . . .
H105 H 0.349599 0.275558 0.308511 0.053 Uiso 1 1 calc R U . . .
C66 C 0.5380(3) 0.4774(4) 0.29728(12) 0.0351(19) Uani 1 1 d . . . . .
H66 H 0.545320 0.481417 0.283359 0.042 Uiso 1 1 calc R U . . .
C166 C 0.7447(2) 0.6932(4) 0.14158(11) 0.0265(16) Uani 1 1 d . . . . .
H166 H 0.753525 0.745683 0.143464 0.032 Uiso 1 1 calc R U . . .
C5 C 0.6691(3) 0.7593(4) 0.43134(13) 0.0379(19) Uani 1 1 d . . . . .
C74 C 0.6256(2) 0.3494(4) 0.32007(11) 0.0257(16) Uani 1 1 d . . . . .
H74 H 0.645081 0.396107 0.319804 0.031 Uiso 1 1 calc R U . . .
C85 C 0.6040(3) 0.2817(5) 0.41673(13) 0.043(2) Uani 1 1 d . . . . .
H85 H 0.593078 0.270822 0.429481 0.051 Uiso 1 1 calc R U . . .
C37 C 0.7417(2) 0.4193(5) 0.38480(13) 0.0380(19) Uani 1 1 d . . . . .
H37 H 0.757397 0.384818 0.395739 0.046 Uiso 1 1 calc R U . . .
C287 C 0.7788(3) 0.5542(5) 0.30394(14) 0.045(2) Uani 1 1 d . . . . .
H287 H 0.779564 0.606905 0.307956 0.054 Uiso 1 1 calc R U . . .
C26 C 0.6436(3) 0.7115(4) 0.33592(12) 0.0324(18) Uani 1 1 d . . . . .
H26 H 0.661624 0.750062 0.346276 0.039 Uiso 1 1 calc R U . . .
C153 C 0.6576(2) 0.3677(4) 0.11995(12) 0.0264(17) Uani 1 1 d . . . . .
H153 H 0.643277 0.368999 0.132894 0.032 Uiso 1 1 calc R U . . .
C27 C 0.6584(3) 0.7213(5) 0.31453(16) 0.049(2) Uani 1 1 d . . . . .
C82 C 0.6321(3) 0.3111(4) 0.37926(12) 0.0310(18) Uani 1 1 d . . . . .
C125 C 0.6064(3) 0.4859(5) 0.15428(12) 0.0361(18) Uani 1 1 d . . . . .
C218 C 0.8258(3) 0.7709(4) 0.11547(13) 0.0355(19) Uani 1 1 d . . . . .
H218 H 0.807756 0.802805 0.104503 0.043 Uiso 1 1 calc R U . . .
C298 C 0.9433(3) -0.2145(5) 0.20771(14) 0.044(2) Uani 1 1 d . . . . .
H298 H 0.948128 -0.266938 0.211744 0.053 Uiso 1 1 calc R U . . .
C154 C 0.6196(3) 0.3407(4) 0.10066(13) 0.0351(19) Uani 1 1 d . . . . .
C104 C 0.4182(3) 0.2960(4) 0.31623(12) 0.0332(18) Uani 1 1 d . . . . .
C142 C 0.8619(3) 0.3046(5) 0.20367(13) 0.045(2) Uani 1 1 d . . . . .
H142 H 0.885461 0.273175 0.212177 0.055 Uiso 1 1 calc R U . . .
C63 C 0.4627(3) 0.6473(5) 0.29789(14) 0.043(2) Uani 1 1 d . . . . .
H63 H 0.452669 0.693176 0.290004 0.051 Uiso 1 1 calc R U . . .
C128 C 0.6268(3) 0.6227(5) 0.14822(14) 0.045(2) Uani 1 1 d . . . . .
H128 H 0.648030 0.622923 0.162067 0.054 Uiso 1 1 calc R U . . .
C21 C 0.6059(3) 0.8698(5) 0.34585(15) 0.049(2) Uani 1 1 d . . . . .
H21 H 0.620971 0.849415 0.359669 0.059 Uiso 1 1 calc R U . . .
C129 C 0.6193(3) 0.6894(5) 0.13544(17) 0.055(3) Uani 1 1 d . . . . .
H129 H 0.634361 0.735723 0.141056 0.066 Uiso 1 1 calc R U . . .
C168 C 0.7610(3) 0.7583(4) 0.18390(11) 0.0271(16) Uani 1 1 d . . . . .
C300 C 0.9624(3) -0.1027(5) 0.18954(13) 0.043(2) Uani 1 1 d . . . . .
H300 H 0.981019 -0.079244 0.180938 0.052 Uiso 1 1 calc R U . . .
C199 C 0.8025(3) 0.2334(4) 0.10115(12) 0.0359(19) Uani 1 1 d . . . . .
H199 H 0.779718 0.213109 0.089356 0.043 Uiso 1 1 calc R U . . .
C271 C 0.8934(2) 0.3984(4) 0.28940(12) 0.0351(18) Uani 1 1 d . . . . .
C276 C 0.8826(3) 0.4599(5) 0.27426(13) 0.042(2) Uani 1 1 d . . . . .
H276 H 0.856922 0.491864 0.274775 0.051 Uiso 1 1 calc R U . . .
C161 C 0.6787(2) 0.5647(4) 0.10117(12) 0.0298(17) Uani 1 1 d . . . . .
C172 C 0.7728(3) 0.8951(4) 0.18816(13) 0.043(2) Uani 1 1 d . . . . .
H172 H 0.792012 0.938885 0.188588 0.052 Uiso 1 1 calc R U . . .
C140 C 0.8240(3) 0.4246(4) 0.19626(12) 0.0328(18) Uani 1 1 d . . . . .
C272 C 0.9311(3) 0.3532(5) 0.28653(14) 0.046(2) Uani 1 1 d . . . . .
H272 H 0.940015 0.310616 0.296032 0.055 Uiso 1 1 calc R U . . .
C146 C 0.6979(3) 0.3101(4) 0.12567(13) 0.0336(19) Uani 1 1 d . . . . .
H146 H 0.711706 0.305108 0.112642 0.040 Uiso 1 1 calc R U . . .
C308 C 0.8342(3) 0.0652(4) 0.17086(14) 0.040(2) Uani 1 1 d . . . . .
H308 H 0.841809 0.054152 0.157296 0.048 Uiso 1 1 calc R U . . .
C173 C 0.7890(3) 0.8220(4) 0.18450(12) 0.0342(18) Uani 1 1 d . . . . .
H173 H 0.819506 0.816130 0.182421 0.041 Uiso 1 1 calc R U . . .
C160 C 0.6620(2) 0.4880(4) 0.10161(10) 0.0286(16) Uani 1 1 d . . . . .
H160 H 0.639524 0.468675 0.089518 0.034 Uiso 1 1 calc R U . . .
C14 C 0.7846(3) 0.6115(5) 0.40595(14) 0.043(2) Uani 1 1 d . . . . .
H14 H 0.787772 0.585953 0.419573 0.052 Uiso 1 1 calc R U . . .
C216 C 0.8092(3) 0.6580(4) 0.09063(13) 0.0308(18) Uani 1 1 d . . . . .
H216 H 0.792054 0.689215 0.079203 0.037 Uiso 1 1 calc R U . . .
C115 C 0.5040(3) 0.1775(4) 0.35837(13) 0.0362(19) Uani 1 1 d . . . . .
C315 C 0.7501(4) 0.9237(5) 0.12706(13) 0.053(2) Uani 1 1 d . . . . .
H315 H 0.773309 0.928578 0.140178 0.063 Uiso 1 1 calc R U . . .
C291 C 0.9870(3) 0.2020(5) 0.22825(14) 0.045(2) Uani 1 1 d . . . . .
H291 H 0.983190 0.255943 0.229398 0.055 Uiso 1 1 calc R U . . .
C230 C 0.9376(3) 0.3404(5) 0.09226(15) 0.053(3) Uani 1 1 d . . . . .
H230 H 0.958134 0.368038 0.103449 0.063 Uiso 1 1 calc R U . . .
C203 C 0.7586(3) 0.4419(4) 0.04452(12) 0.0362(19) Uani 1 1 d . . . . .
C13 C 0.7562(3) 0.6758(5) 0.40126(14) 0.040(2) Uani 1 1 d . . . . .
C198 C 0.8245(3) 0.1864(5) 0.11834(13) 0.039(2) Uani 1 1 d . . . . .
H198 H 0.816653 0.133623 0.118731 0.046 Uiso 1 1 calc R U . . .
C163 C 0.6798(3) 0.6851(4) 0.08302(13) 0.0378(19) Uani 1 1 d . . . . .
H163 H 0.671218 0.716725 0.070419 0.045 Uiso 1 1 calc R U . . .
C307 C 0.8690(3) 0.0619(4) 0.19013(13) 0.0388(19) Uani 1 1 d . . . . .
C6 C 0.6993(3) 0.7803(5) 0.45111(14) 0.050(2) Uani 1 1 d . . . . .
H6 H 0.687279 0.804565 0.462172 0.060 Uiso 1 1 calc R U . . .
C175 C 0.8004(3) 0.6455(4) 0.21957(12) 0.0326(18) Uani 1 1 d . . . . .
C290 C 0.9555(3) 0.1604(5) 0.21241(14) 0.044(2) Uani 1 1 d . . . . .
H290 H 0.931051 0.186960 0.202877 0.053 Uiso 1 1 calc R U . . .
C152 C 0.6922(3) 0.1669(4) 0.11989(13) 0.039(2) Uani 1 1 d . . . . .
H152 H 0.708287 0.173165 0.108568 0.047 Uiso 1 1 calc R U . . .
C225 C 0.9276(3) 0.4587(5) 0.06896(13) 0.039(2) Uani 1 1 d . . . . .
C80 C 0.6327(3) 0.2077(5) 0.31211(15) 0.046(2) Uani 1 1 d . . . . .
H80 H 0.601179 0.201471 0.312656 0.055 Uiso 1 1 calc R U . . .
C139 C 0.8151(2) 0.5024(5) 0.20271(11) 0.0349(17) Uani 1 1 d . . . . .
H139 H 0.830309 0.521272 0.216698 0.042 Uiso 1 1 calc R U . . .
C316 C 0.7064(4) 0.9006(5) 0.12802(15) 0.062(3) Uani 1 1 d . . . . .
H316 H 0.699161 0.888066 0.141583 0.075 Uiso 1 1 calc R U . . .
C97 C 0.3681(3) 0.5200(4) 0.38044(13) 0.040(2) Uani 1 1 d . . . . .
H97 H 0.387541 0.548778 0.391761 0.048 Uiso 1 1 calc R U . . .
C20 C 0.5876(3) 0.8202(4) 0.32902(12) 0.0323(18) Uani 1 1 d . . . . .
C322 C 0.7087(4) 1.2111(5) 0.05121(15) 0.060(3) Uani 1 1 d . . . . .
H322 H 0.700581 1.263342 0.048095 0.072 Uiso 1 1 calc R U . . .
C116 C 0.5438(3) 0.1734(4) 0.35071(14) 0.042(2) Uani 1 1 d . . . . .
H116 H 0.543933 0.193907 0.336702 0.050 Uiso 1 1 calc R U . . .
C220 C 0.8748(3) 0.7539(4) 0.15054(12) 0.0326(18) Uani 1 1 d . . . . .
H220 H 0.890407 0.773653 0.164365 0.039 Uiso 1 1 calc R U . . .
C138 C 0.7125(3) 0.4401(5) 0.21501(13) 0.042(2) Uani 1 1 d . . . . .
H138 H 0.699607 0.490345 0.213466 0.050 Uiso 1 1 calc R U . . .
C147 C 0.6812(3) 0.2311(4) 0.13076(12) 0.0315(18) Uani 1 1 d . . . . .
C319 C 0.7321(3) 1.0544(5) 0.06060(14) 0.046(2) Uani 1 1 d . . . . .
C299 C 0.9709(3) -0.1780(5) 0.19544(14) 0.048(2) Uani 1 1 d . . . . .
H299 H 0.995215 -0.205115 0.191260 0.057 Uiso 1 1 calc R U . . .
C235 C 0.9495(3) 0.6522(5) 0.09764(13) 0.037(2) Uani 1 1 d . . . . .
C215 C 0.8318(3) 0.6117(5) 0.04130(13) 0.045(2) Uani 1 1 d . . . . .
H215 H 0.858007 0.586575 0.050031 0.054 Uiso 1 1 calc R U . . .
C341 C 0.9920(4) 0.6202(5) 0.29131(16) 0.058(3) Uani 1 1 d . . . . .
C284 C 0.7774(2) 0.4019(5) 0.29266(13) 0.042(2) Uani 1 1 d . . . . .
H284 H 0.775797 0.348913 0.288884 0.050 Uiso 1 1 calc R U . . .
C131 C 0.5671(4) 0.6243(6) 0.10733(16) 0.064(3) Uani 1 1 d . . . . .
H131 H 0.546452 0.625179 0.093350 0.077 Uiso 1 1 calc R U . . .
C69 C 0.6169(2) 0.4270(5) 0.27495(12) 0.038(2) Uani 1 1 d . . . . .
H69 H 0.633675 0.458443 0.286433 0.045 Uiso 1 1 calc R U . . .
C108 C 0.4602(3) 0.2084(4) 0.34490(13) 0.0369(19) Uani 1 1 d . . . . .
C174 C 0.7741(2) 0.6216(4) 0.19694(11) 0.0256(16) Uani 1 1 d . . . . .
H174 H 0.740649 0.619236 0.197249 0.031 Uiso 1 1 calc R U . . .
C169 C 0.7163(3) 0.7669(5) 0.18695(15) 0.047(2) Uani 1 1 d . . . . .
H169 H 0.696956 0.723347 0.186787 0.057 Uiso 1 1 calc R U . . .
C318 C 0.6838(3) 0.9121(5) 0.08884(13) 0.046(2) Uani 1 1 d . . . . .
H318 H 0.660222 0.906867 0.075864 0.056 Uiso 1 1 calc R U . . .
C204 C 0.7136(3) 0.4368(4) 0.04631(13) 0.043(2) Uani 1 1 d . . . . .
H204 H 0.706536 0.451966 0.059700 0.051 Uiso 1 1 calc R U . . .
C289 C 0.9592(3) 0.0806(4) 0.21024(12) 0.0331(18) Uani 1 1 d . . . . .
C134 C 0.7126(3) 0.3106(5) 0.20324(14) 0.050(2) Uani 1 1 d . . . . .
H134 H 0.699438 0.269682 0.193843 0.060 Uiso 1 1 calc R U . . .
C181 C 0.9607(2) 0.5159(4) 0.16477(11) 0.0310(18) Uani 1 1 d . . . . .
H181 H 0.981510 0.513571 0.154317 0.037 Uiso 1 1 calc R U . . .
C288 C 0.8186(3) 0.5099(5) 0.31017(13) 0.043(2) Uani 1 1 d . . . . .
H288 H 0.845993 0.532982 0.318475 0.052 Uiso 1 1 calc R U . . .
C274 C 0.9454(3) 0.4291(5) 0.25705(13) 0.046(2) Uani 1 1 d . . . . .
H274 H 0.963264 0.440435 0.246690 0.056 Uiso 1 1 calc R U . . .
C16 C 0.8041(3) 0.6214(6) 0.37096(17) 0.060(3) Uani 1 1 d . . . . .
H16 H 0.820624 0.602583 0.360773 0.072 Uiso 1 1 calc R U . . .
C190 C 1.0113(3) 0.3505(5) 0.19218(16) 0.053(2) Uani 1 1 d . . . . .
H190 H 0.997428 0.358471 0.204198 0.063 Uiso 1 1 calc R U . . .
C121 C 0.5696(3) 0.3765(5) 0.16699(15) 0.046(2) Uani 1 1 d . . . . .
H121 H 0.543031 0.345115 0.165918 0.055 Uiso 1 1 calc R U . . .
C339 C 0.6200(3) 0.6162(5) 0.20839(16) 0.054(2) Uani 1 1 d . . . . .
C17 C 0.7757(3) 0.6852(6) 0.36602(15) 0.054(2) Uani 1 1 d . . . . .
H17 H 0.772583 0.710608 0.352366 0.065 Uiso 1 1 calc R U . . .
C109 C 0.4191(3) 0.3560(5) 0.29931(13) 0.041(2) Uani 1 1 d . . . . .
C241 C 0.7045(3) 0.7086(6) 0.58768(14) 0.052(3) Uani 1 1 d . . . . .
C78 C 0.7041(3) 0.1531(5) 0.30801(14) 0.054(3) Uani 1 1 d . . . . .
H78 H 0.721892 0.109834 0.305747 0.065 Uiso 1 1 calc R U . . .
C2 C 0.7636(3) 0.7315(5) 0.43837(15) 0.050(2) Uani 1 1 d . . . . .
H2 H 0.795969 0.723083 0.440684 0.061 Uiso 1 1 calc R U . . .
C56 C 0.4693(3) 0.6633(5) 0.40063(13) 0.041(2) Uani 1 1 d . . . . .
H56 H 0.456239 0.647239 0.412350 0.049 Uiso 1 1 calc R U . . .
C19 C 0.5924(2) 0.7345(4) 0.33253(11) 0.0265(16) Uani 1 1 d . . . . .
H19 H 0.574864 0.708671 0.318931 0.032 Uiso 1 1 calc R U . . .
C141 C 0.8577(3) 0.3795(4) 0.20961(14) 0.045(2) Uani 1 1 d . . . . .
H141 H 0.877191 0.400061 0.222473 0.054 Uiso 1 1 calc R U . . .
C158 C 0.5951(3) 0.3045(5) 0.06269(13) 0.046(2) Uani 1 1 d . . . . .
H158 H 0.601909 0.299464 0.048687 0.055 Uiso 1 1 calc R U . . .
C296 C 0.9009(3) -0.0970(4) 0.20787(12) 0.0376(18) Uani 1 1 d . . . . .
H296 H 0.876707 -0.070253 0.212275 0.045 Uiso 1 1 calc R U . . .
C273 C 0.9556(3) 0.3672(5) 0.27073(14) 0.049(2) Uani 1 1 d . . . . .
H273 H 0.979856 0.333394 0.269340 0.059 Uiso 1 1 calc R U . . .
C137 C 0.7492(3) 0.4269(5) 0.23166(14) 0.051(2) Uani 1 1 d . . . . .
H137 H 0.760868 0.466764 0.241763 0.061 Uiso 1 1 calc R U . . .
C103 C 0.4598(3) 0.2737(4) 0.33090(12) 0.0324(18) Uani 1 1 d . . . . .
C58 C 0.4645(3) 0.7318(5) 0.36727(14) 0.042(2) Uani 1 1 d . . . . .
H58 H 0.448306 0.763945 0.355835 0.051 Uiso 1 1 calc R U . . .
C25 C 0.5661(3) 0.8500(5) 0.30912(14) 0.044(2) Uani 1 1 d . . . . .
H25 H 0.553954 0.816456 0.297254 0.052 Uiso 1 1 calc R U . . .
C7 C 0.6195(3) 0.7806(5) 0.42761(14) 0.042(2) Uani 1 1 d . . . . .
C57 C 0.4448(3) 0.7077(5) 0.38443(13) 0.042(2) Uani 1 1 d . . . . .
H57 H 0.414200 0.722641 0.384661 0.051 Uiso 1 1 calc R U . . .
C323 C 0.7445(4) 1.1800(5) 0.04448(14) 0.057(3) Uani 1 1 d . . . . .
H323 H 0.761877 1.210588 0.036730 0.068 Uiso 1 1 calc R U . . .
C95 C 0.4382(3) 0.4515(4) 0.37455(13) 0.0347(19) Uani 1 1 d . . . . .
H95 H 0.452101 0.482381 0.387863 0.042 Uiso 1 1 calc R U . . .
C223 C 0.9520(3) 0.5496(6) 0.04491(14) 0.051(2) Uani 1 1 d . . . . .
H223 H 0.958866 0.561502 0.031219 0.062 Uiso 1 1 calc R U . . .
C90 C 0.4456(3) 0.3707(5) 0.41925(13) 0.0370(19) Uani 1 1 d . . . . .
H90 H 0.466448 0.412863 0.421515 0.044 Uiso 1 1 calc R U . . .
C124 C 0.6497(3) 0.4635(4) 0.16866(12) 0.0302(18) Uani 1 1 d . . . . .
C312 C 0.8542(3) 0.0811(5) 0.20901(15) 0.050(2) Uani 1 1 d . . . . .
H312 H 0.876814 0.082967 0.222399 0.060 Uiso 1 1 calc R U . . .
C64 C 0.4928(3) 0.5983(5) 0.29117(13) 0.045(2) Uani 1 1 d . . . . .
H64 H 0.502849 0.607707 0.278097 0.054 Uiso 1 1 calc R U . . .
C1 C 0.7462(3) 0.7665(6) 0.45476(15) 0.058(3) Uani 1 1 d . . . . .
H1 H 0.766254 0.780545 0.468251 0.069 Uiso 1 1 calc R U . . .
C122 C 0.6105(3) 0.3575(5) 0.18155(13) 0.040(2) Uani 1 1 d . . . . .
H122 H 0.611522 0.313857 0.190736 0.048 Uiso 1 1 calc R U . . .
C49 C 0.5961(3) 0.5761(6) 0.47532(13) 0.060(3) Uani 1 1 d . . . . .
H49 H 0.610451 0.625139 0.476505 0.073 Uiso 1 1 calc R U . . .
C41 C 0.6899(3) 0.4893(6) 0.45368(12) 0.0417(19) Uani 1 1 d . . . . .
C240 C 0.9276(3) 0.7243(5) 0.09278(15) 0.048(2) Uani 1 1 d . . . . .
H240 H 0.906294 0.731080 0.079114 0.058 Uiso 1 1 calc R U . . .
C282 C 0.8526(3) 0.2511(5) 0.32961(14) 0.045(2) Uani 1 1 d . . . . .
H282 H 0.859191 0.278830 0.343001 0.054 Uiso 1 1 calc R U . . .
C91 C 0.4287(3) 0.3430(5) 0.43676(15) 0.050(2) Uani 1 1 d . . . . .
H91 H 0.437732 0.365948 0.450826 0.060 Uiso 1 1 calc R U . . .
C228 C 0.9542(3) 0.6077(6) 0.06119(14) 0.049(2) Uani 1 1 d . . . . .
H228 H 0.963939 0.658329 0.058780 0.059 Uiso 1 1 calc R U . . .
C313 C 0.7283(3) 0.9360(4) 0.08688(12) 0.040(2) Uani 1 1 d . . . . .
C42 C 0.7225(3) 0.5492(6) 0.45829(15) 0.057(3) Uani 1 1 d . . . . .
H42 H 0.717969 0.593963 0.449404 0.069 Uiso 1 1 calc R U . . .
C171 C 0.7284(3) 0.9029(5) 0.19114(13) 0.045(2) Uani 1 1 d . . . . .
H171 H 0.717491 0.952383 0.193851 0.054 Uiso 1 1 calc R U . . .
C148 C 0.6568(3) 0.2208(5) 0.14653(14) 0.046(2) Uani 1 1 d . . . . .
H148 H 0.648288 0.264229 0.153885 0.055 Uiso 1 1 calc R U . . .
C311 C 0.8094(3) 0.0976(5) 0.20970(16) 0.056(2) Uani 1 1 d . . . . .
H311 H 0.801403 0.107188 0.223274 0.067 Uiso 1 1 calc R U . . .
C248 C 0.6280(3) 0.5984(6) 0.56666(14) 0.054(2) Uani 1 1 d . . . . .
H248 H 0.656175 0.581775 0.575982 0.065 Uiso 1 1 calc R U . . .
C50 C 0.5772(5) 0.5482(9) 0.49243(19) 0.099(5) Uani 1 1 d . . . . .
H50 H 0.579323 0.578199 0.505269 0.119 Uiso 1 1 calc R U . . .
C306 C 0.9640(3) 0.1135(4) 0.16249(13) 0.0391(19) Uani 1 1 d . . . . .
H306 H 0.976101 0.149001 0.173847 0.047 Uiso 1 1 calc R U . . .
C324 C 0.7562(3) 1.1024(6) 0.04888(13) 0.055(2) Uani 1 1 d . . . . .
H324 H 0.781383 1.081454 0.043788 0.066 Uiso 1 1 calc R U . . .
C107 C 0.4184(3) 0.1730(5) 0.34467(14) 0.044(2) Uani 1 1 d . . . . .
H107 H 0.418050 0.129636 0.353814 0.053 Uiso 1 1 calc R U . . .
C120 C 0.5052(3) 0.1471(5) 0.37944(14) 0.048(2) Uani 1 1 d . . . . .
H120 H 0.478416 0.148815 0.385298 0.058 Uiso 1 1 calc R U . . .
C112 C 0.4187(3) 0.4619(6) 0.26585(16) 0.064(3) Uani 1 1 d . . . . .
H112 H 0.419545 0.499146 0.254902 0.076 Uiso 1 1 calc R U . . .
C283 C 0.8194(2) 0.4318(4) 0.30452(12) 0.0321(18) Uani 1 1 d . . . . .
C155 C 0.5763(3) 0.3268(5) 0.10337(15) 0.052(2) Uani 1 1 d . . . . .
H155 H 0.569236 0.335470 0.117192 0.063 Uiso 1 1 calc R U . . .
C178 C 0.8484(4) 0.6801(6) 0.26220(15) 0.069(3) Uani 1 1 d . . . . .
H178 H 0.864211 0.694799 0.276536 0.083 Uiso 1 1 calc R U . . .
C110 C 0.3905(3) 0.4187(6) 0.29756(14) 0.057(2) Uani 1 1 d . . . . .
H110 H 0.371261 0.425723 0.307579 0.069 Uiso 1 1 calc R U . . .
C179 C 0.8712(3) 0.6785(5) 0.24531(13) 0.047(2) Uani 1 1 d . . . . .
H179 H 0.903490 0.688552 0.248141 0.057 Uiso 1 1 calc R U . . .
C236 C 0.9798(3) 0.6430(5) 0.11803(13) 0.047(2) Uani 1 1 d . . . . .
H236 H 0.994813 0.595198 0.122007 0.056 Uiso 1 1 calc R U . . .
C113 C 0.4452(3) 0.3969(6) 0.26736(15) 0.058(3) Uani 1 1 d . . . . .
H113 H 0.462665 0.386965 0.256735 0.069 Uiso 1 1 calc R U . . .
C22 C 0.6027(4) 0.9493(5) 0.34310(17) 0.060(3) Uani 1 1 d . . . . .
H22 H 0.615720 0.982576 0.354889 0.072 Uiso 1 1 calc R U . . .
C211 C 0.7520(3) 0.6445(5) 0.03473(15) 0.052(2) Uani 1 1 d . . . . .
H211 H 0.722741 0.642343 0.038358 0.062 Uiso 1 1 calc R U . . .
C183 C 0.9712(4) 0.5547(5) 0.20452(14) 0.056(3) Uani 1 1 d . . . . .
H183 H 0.941083 0.536233 0.204372 0.067 Uiso 1 1 calc R U . . .
C229 C 0.9154(3) 0.3756(5) 0.07270(15) 0.046(2) Uani 1 1 d . . . . .
C176 C 0.7771(3) 0.6446(5) 0.23680(13) 0.049(2) Uani 1 1 d . . . . .
H176 H 0.744999 0.633601 0.234174 0.059 Uiso 1 1 calc R U . . .
C334 C 0.8854(3) 0.9009(6) 0.06062(16) 0.064(3) Uani 1 1 d . . . . .
H334 H 0.915793 0.890617 0.058876 0.077 Uiso 1 1 calc R U . . .
C170 C 0.7002(3) 0.8413(5) 0.19027(14) 0.049(2) Uani 1 1 d . . . . .
H170 H 0.669447 0.848107 0.191911 0.059 Uiso 1 1 calc R U . . .
C277 C 0.8554(3) 0.2890(5) 0.31027(13) 0.0371(19) Uani 1 1 d . . . . .
C325 C 0.7034(3) 0.9208(5) 0.04285(13) 0.043(2) Uani 1 1 d . . . . .
C219 C 0.8473(3) 0.8001(4) 0.13576(13) 0.039(2) Uani 1 1 d . . . . .
H219 H 0.842828 0.852255 0.139264 0.047 Uiso 1 1 calc R U . . .
C18 C 0.7513(3) 0.7123(5) 0.38151(14) 0.046(2) Uani 1 1 d . . . . .
H18 H 0.731667 0.755805 0.378193 0.056 Uiso 1 1 calc R U . . .
C292 C 1.0231(3) 0.1660(5) 0.24207(12) 0.043(2) Uani 1 1 d . . . . .
H292 H 1.044842 0.194763 0.252491 0.051 Uiso 1 1 calc R U . . .
C73 C 0.5643(3) 0.3246(5) 0.26228(13) 0.050(2) Uani 1 1 d . . . . .
H73 H 0.544295 0.285261 0.265107 0.059 Uiso 1 1 calc R U . . .
C259 C 0.6537(3) 0.8224(6) 0.56490(14) 0.053(2) Uani 1 1 d . . . . .
C205 C 0.6775(4) 0.4104(5) 0.02945(16) 0.063(3) Uani 1 1 d . . . . .
H205 H 0.646781 0.406692 0.031391 0.076 Uiso 1 1 calc R U . . .
C194 C 1.0139(3) 0.3718(5) 0.15539(14) 0.047(2) Uani 1 1 d . . . . .
H194 H 1.001455 0.393659 0.141417 0.057 Uiso 1 1 calc R U . . .
C275 C 0.9078(3) 0.4751(5) 0.25880(12) 0.041(2) Uani 1 1 d . . . . .
H275 H 0.899515 0.517523 0.249184 0.049 Uiso 1 1 calc R U . . .
C88 C 0.4510(2) 0.3673(4) 0.37944(12) 0.0298(18) Uani 1 1 d . . . . .
H88 H 0.435230 0.337348 0.366256 0.036 Uiso 1 1 calc R U . . .
C214 C 0.8363(3) 0.6539(5) 0.02302(15) 0.056(2) Uani 1 1 d . . . . .
H214 H 0.865198 0.655616 0.018946 0.068 Uiso 1 1 calc R U . . .
C106 C 0.3771(3) 0.1987(5) 0.33156(15) 0.048(2) Uani 1 1 d . . . . .
H106 H 0.348703 0.174895 0.332250 0.058 Uiso 1 1 calc R U . . .
C12 C 0.5964(3) 0.7718(6) 0.44388(19) 0.067(3) Uani 1 1 d . . . . .
H12 H 0.611672 0.748577 0.457291 0.081 Uiso 1 1 calc R U . . .
C320 C 0.6955(3) 1.0915(5) 0.06756(14) 0.056(2) Uani 1 1 d . . . . .
H320 H 0.678405 1.063244 0.075960 0.067 Uiso 1 1 calc R U . . .
C333 C 0.8764(3) 0.9654(6) 0.07152(14) 0.064(3) Uani 1 1 d . . . . .
H333 H 0.901253 0.997672 0.078398 0.077 Uiso 1 1 calc R U . . .
C212 C 0.7580(4) 0.6886(5) 0.01623(14) 0.060(3) Uani 1 1 d . . . . .
H212 H 0.732539 0.715496 0.007471 0.072 Uiso 1 1 calc R U . . .
C327 C 0.6472(3) 0.9264(7) 0.00767(16) 0.067(3) Uani 1 1 d . . . . .
H327 H 0.632070 0.955841 -0.004638 0.080 Uiso 1 1 calc R U . . .
C249 C 0.5919(4) 0.5456(6) 0.56059(17) 0.068(3) Uani 1 1 d . . . . .
H249 H 0.596001 0.493828 0.565415 0.082 Uiso 1 1 calc R U . . .
C294 C 0.9958(3) 0.0448(5) 0.22538(12) 0.0373(19) Uani 1 1 d . . . . .
H294 H 0.998944 -0.009511 0.225107 0.045 Uiso 1 1 calc R U . . .
C265 C 0.8999(2) 0.4102(5) 0.33292(12) 0.0348(17) Uani 1 1 d . . . . .
C239 C 0.9362(3) 0.7853(5) 0.10733(16) 0.054(2) Uani 1 1 d . . . . .
H239 H 0.921206 0.833223 0.103557 0.065 Uiso 1 1 calc R U . . .
C70 C 0.6213(3) 0.4396(5) 0.25369(14) 0.051(2) Uani 1 1 d . . . . .
H70 H 0.640767 0.479427 0.250620 0.061 Uiso 1 1 calc R U . . .
C130 C 0.5911(4) 0.6890(6) 0.11526(18) 0.065(3) Uani 1 1 d . . . . .
H130 H 0.587883 0.734087 0.106528 0.078 Uiso 1 1 calc R U . . .
C114 C 0.4466(3) 0.3456(5) 0.28439(14) 0.043(2) Uani 1 1 d . . . . .
H114 H 0.466805 0.302643 0.285896 0.052 Uiso 1 1 calc R U . . .
C293 C 1.0275(3) 0.0873(5) 0.24065(12) 0.0383(19) Uani 1 1 d . . . . .
H293 H 1.052362 0.061821 0.250225 0.046 Uiso 1 1 calc R U . . .
C301 C 0.9355(3) 0.0526(4) 0.16690(13) 0.0391(19) Uani 1 1 d . . . . .
C117 C 0.5835(3) 0.1402(5) 0.36296(16) 0.051(2) Uani 1 1 d . . . . .
H117 H 0.610391 0.137615 0.357235 0.061 Uiso 1 1 calc R U . . .
C111 C 0.3900(4) 0.4730(6) 0.28067(16) 0.067(3) Uani 1 1 d . . . . .
H111 H 0.370394 0.516748 0.279328 0.080 Uiso 1 1 calc R U . . .
C162 C 0.6648(3) 0.6104(4) 0.08266(12) 0.0353(18) Uani 1 1 d . . . . .
H162 H 0.645033 0.590025 0.069842 0.042 Uiso 1 1 calc R U . . .
C182 C 0.9890(3) 0.5508(4) 0.18583(14) 0.042(2) Uani 1 1 d . . . . .
C208 C 0.7672(3) 0.4206(5) 0.02442(13) 0.054(2) Uani 1 1 d . . . . .
H208 H 0.798064 0.422797 0.022616 0.065 Uiso 1 1 calc R U . . .
C136 C 0.7703(4) 0.3539(6) 0.23405(16) 0.061(3) Uani 1 1 d . . . . .
H136 H 0.797156 0.344229 0.245211 0.073 Uiso 1 1 calc R U . . .
B3 B 0.9233(3) 0.0343(5) 0.19064(16) 0.038(2) Uani 1 1 d . . . . .
C32 C 0.6387(3) 0.6776(6) 0.29616(14) 0.055(3) Uani 1 1 d . . . . .
H32 H 0.615589 0.640945 0.297178 0.066 Uiso 1 1 calc R U . . .
C53 C 0.5705(3) 0.4630(6) 0.45508(15) 0.052(2) Uani 1 1 d . . . . .
H53 H 0.567151 0.433409 0.442085 0.063 Uiso 1 1 calc R U . . .
C51 C 0.5558(4) 0.4781(9) 0.49066(19) 0.077(4) Uani 1 1 d . . . . .
H51 H 0.543696 0.459318 0.502415 0.092 Uiso 1 1 calc R U . . .
C302 C 0.9177(3) 0.0051(6) 0.14876(13) 0.056(2) Uani 1 1 d . . . . .
H302 H 0.898107 -0.036319 0.150591 0.067 Uiso 1 1 calc R U . . .
C237 C 0.9877(3) 0.7056(6) 0.13267(15) 0.055(3) Uani 1 1 d . . . . .
H237 H 1.008175 0.699486 0.146591 0.066 Uiso 1 1 calc R U . . .
C309 C 0.7883(3) 0.0843(5) 0.17098(17) 0.055(3) Uani 1 1 d . . . . .
H309 H 0.765621 0.086583 0.157615 0.066 Uiso 1 1 calc R U . . .
C207 C 0.7331(4) 0.3967(6) 0.00717(16) 0.073(3) Uani 1 1 d . . . . .
H207 H 0.739850 0.384706 -0.006537 0.087 Uiso 1 1 calc R U . . .
C8 C 0.5964(3) 0.8152(5) 0.40818(16) 0.058(3) Uani 1 1 d . . . . .
H8 H 0.612102 0.820242 0.396667 0.069 Uiso 1 1 calc R U . . .
C281 C 0.8402(3) 0.1722(5) 0.32970(17) 0.052(2) Uani 1 1 d . . . . .
H281 H 0.840415 0.147901 0.343268 0.063 Uiso 1 1 calc R U . . .
C280 C 0.8282(3) 0.1310(5) 0.31109(18) 0.055(3) Uani 1 1 d . . . . .
H280 H 0.818648 0.078928 0.311218 0.066 Uiso 1 1 calc R U . . .
C328 C 0.6372(3) 0.8472(7) 0.00862(16) 0.066(3) Uani 1 1 d . . . . .
H328 H 0.614614 0.823186 -0.002582 0.079 Uiso 1 1 calc R U . . .
C46 C 0.6980(4) 0.4257(6) 0.46654(14) 0.063(3) Uani 1 1 d . . . . .
H46 H 0.676417 0.384639 0.463617 0.075 Uiso 1 1 calc R U . . .
C297 C 0.9090(3) -0.1728(5) 0.21380(15) 0.051(2) Uani 1 1 d . . . . .
H297 H 0.890391 -0.196901 0.222305 0.061 Uiso 1 1 calc R U . . .
C238 C 0.9663(3) 0.7760(6) 0.12715(16) 0.056(3) Uani 1 1 d . . . . .
H238 H 0.972557 0.817692 0.137149 0.068 Uiso 1 1 calc R U . . .
C100 C 0.3094(3) 0.4361(6) 0.34741(16) 0.065(3) Uani 1 1 d . . . . .
H100 H 0.289801 0.407220 0.336145 0.078 Uiso 1 1 calc R U . . .
C234 C 0.8863(3) 0.3354(5) 0.05667(17) 0.057(3) Uani 1 1 d . . . . .
H234 H 0.871897 0.360725 0.043460 0.068 Uiso 1 1 calc R U . . .
C340 C 0.5756(3) 0.5909(6) 0.19543(15) 0.063(3) Uani 1 1 d . . . . .
H34D H 0.572827 0.605373 0.180100 0.095 Uiso 1 1 calc R U . . .
H34E H 0.550745 0.615313 0.200914 0.095 Uiso 1 1 calc R U . . .
H34F H 0.573186 0.534949 0.196526 0.095 Uiso 1 1 calc R U . . .
C278 C 0.8435(3) 0.2436(5) 0.29098(15) 0.044(2) Uani 1 1 d . . . . .
H278 H 0.844435 0.266011 0.277298 0.053 Uiso 1 1 calc R U . . .
C246 C 0.7390(3) 0.6507(6) 0.58970(16) 0.055(3) Uani 1 1 d . . . . .
H246 H 0.742457 0.624394 0.576906 0.066 Uiso 1 1 calc R U . . .
C28 C 0.6944(4) 0.7708(7) 0.31307(19) 0.076(3) Uani 1 1 d . . . . .
H28 H 0.709525 0.798772 0.325688 0.092 Uiso 1 1 calc R U . . .
C336 C 0.8040(3) 0.8695(6) 0.05287(14) 0.056(3) Uani 1 1 d . . . . .
H336 H 0.780025 0.835078 0.046315 0.067 Uiso 1 1 calc R U . . .
C342 C 0.9674(3) 0.5782(6) 0.30464(16) 0.068(3) Uani 1 1 d . . . . .
H34A H 0.959468 0.527094 0.298327 0.103 Uiso 1 1 calc R U . . .
H34B H 0.938967 0.605820 0.305283 0.103 Uiso 1 1 calc R U . . .
H34C H 0.986779 0.572901 0.319448 0.103 Uiso 1 1 calc R U . . .
C149 C 0.6442(3) 0.1481(5) 0.15197(15) 0.055(3) Uani 1 1 d . . . . .
H149 H 0.628053 0.142094 0.163273 0.066 Uiso 1 1 calc R U . . .
N26 N 0.6538(4) 0.6361(7) 0.21849(19) 0.108(4) Uani 1 1 d . . . . .
C77 C 0.7240(3) 0.2240(5) 0.31101(14) 0.045(2) Uani 1 1 d . . . . .
H77 H 0.755541 0.230408 0.310649 0.054 Uiso 1 1 calc R U . . .
C231 C 0.9281(4) 0.2626(6) 0.09464(19) 0.067(3) Uani 1 1 d . . . . .
H231 H 0.942802 0.237640 0.107858 0.081 Uiso 1 1 calc R U . . .
C305 C 0.9746(3) 0.1232(5) 0.14262(14) 0.051(2) Uani 1 1 d . . . . .
H305 H 0.995032 0.163369 0.140780 0.062 Uiso 1 1 calc R U . . .
C119 C 0.5448(4) 0.1156(5) 0.39112(16) 0.064(3) Uani 1 1 d . . . . .
H119 H 0.545349 0.095916 0.405283 0.077 Uiso 1 1 calc R U . . .
C118 C 0.5845(3) 0.1110(6) 0.38331(17) 0.063(3) Uani 1 1 d . . . . .
H118 H 0.611714 0.088087 0.391811 0.076 Uiso 1 1 calc R U . . .
C310 C 0.7762(3) 0.0999(5) 0.19047(17) 0.052(2) Uani 1 1 d . . . . .
H310 H 0.745156 0.112191 0.190593 0.063 Uiso 1 1 calc R U . . .
C206 C 0.6879(5) 0.3902(6) 0.01027(19) 0.084(4) Uani 1 1 d . . . . .
H206 H 0.664135 0.371357 -0.001330 0.101 Uiso 1 1 calc R U . . .
C24 C 0.5620(3) 0.9295(5) 0.30617(16) 0.058(3) Uani 1 1 d . . . . .
H24 H 0.546304 0.949813 0.292429 0.070 Uiso 1 1 calc R U . . .
C243 C 0.7308(4) 0.7215(6) 0.62785(16) 0.061(3) Uani 1 1 d . . . . .
H243 H 0.727556 0.745272 0.641033 0.073 Uiso 1 1 calc R U . . .
C247 C 0.6242(3) 0.6753(6) 0.55943(14) 0.054(3) Uani 1 1 d . . . . .
C11 C 0.5502(4) 0.7965(6) 0.4411(2) 0.076(3) Uani 1 1 d . . . . .
H11 H 0.534473 0.790090 0.452593 0.092 Uiso 1 1 calc R U . . .
C244 C 0.7645(3) 0.6664(6) 0.62868(16) 0.058(3) Uani 1 1 d . . . . .
H244 H 0.784994 0.653195 0.642147 0.069 Uiso 1 1 calc R U . . .
C279 C 0.8305(3) 0.1678(5) 0.29172(18) 0.059(3) Uani 1 1 d . . . . .
H279 H 0.822722 0.139555 0.278434 0.071 Uiso 1 1 calc R U . . .
C269 C 0.9741(3) 0.4467(5) 0.35720(14) 0.046(2) Uani 1 1 d . . . . .
H269 H 1.006280 0.455796 0.359203 0.055 Uiso 1 1 calc R U . . .
C253 C 0.6953(3) 0.7202(6) 0.54397(15) 0.056(3) Uani 1 1 d . . . . .
C330 C 0.6925(3) 0.8421(5) 0.04328(13) 0.047(2) Uani 1 1 d . . . . .
H330 H 0.707054 0.812155 0.055582 0.057 Uiso 1 1 calc R U . . .
C332 C 0.8312(3) 0.9844(6) 0.07269(13) 0.058(3) Uani 1 1 d . . . . .
H332 H 0.825979 1.029888 0.080146 0.070 Uiso 1 1 calc R U . . .
C193 C 1.0537(3) 0.3285(6) 0.15862(18) 0.064(3) Uani 1 1 d . . . . .
H193 H 1.069402 0.323502 0.147107 0.077 Uiso 1 1 calc R U . . .
C71 C 0.5970(3) 0.3935(6) 0.23699(14) 0.061(3) Uani 1 1 d . . . . .
H71 H 0.599987 0.401703 0.222422 0.073 Uiso 1 1 calc R U . . .
C266 C 0.8806(3) 0.4227(6) 0.35104(14) 0.058(3) Uani 1 1 d . . . . .
H266 H 0.848396 0.414460 0.349482 0.070 Uiso 1 1 calc R U . . .
C92 C 0.3979(3) 0.2807(6) 0.43313(16) 0.062(3) Uani 1 1 d . . . . .
H92 H 0.385593 0.261719 0.444792 0.074 Uiso 1 1 calc R U . . .
C23 C 0.5807(3) 0.9788(5) 0.32323(17) 0.060(3) Uani 1 1 d . . . . .
H23 H 0.578278 1.032841 0.321154 0.072 Uiso 1 1 calc R U . . .
C43 C 0.7609(4) 0.5445(7) 0.47544(17) 0.074(3) Uani 1 1 d . . . . .
H43 H 0.782890 0.585016 0.478303 0.089 Uiso 1 1 calc R U . . .
C260 C 0.6763(4) 0.8816(6) 0.55665(16) 0.062(3) Uani 1 1 d . . . . .
H260 H 0.702502 0.869774 0.550966 0.074 Uiso 1 1 calc R U . . .
C303 C 0.9273(3) 0.0157(5) 0.12844(14) 0.056(3) Uani 1 1 d . . . . .
H303 H 0.914069 -0.017790 0.116743 0.068 Uiso 1 1 calc R U . . .
C52 C 0.5517(3) 0.4355(7) 0.4724(2) 0.080(4) Uani 1 1 d . . . . .
H52 H 0.536350 0.387333 0.471223 0.097 Uiso 1 1 calc R U . . .
C151 C 0.6801(3) 0.0943(5) 0.12522(14) 0.049(2) Uani 1 1 d . . . . .
H151 H 0.689119 0.051013 0.117967 0.059 Uiso 1 1 calc R U . . .
C268 C 0.9535(3) 0.4587(5) 0.37380(15) 0.055(2) Uani 1 1 d . . . . .
H268 H 0.971274 0.475843 0.387525 0.067 Uiso 1 1 calc R U . . .
C10 C 0.5278(4) 0.8302(7) 0.4215(3) 0.088(4) Uani 1 1 d . . . . .
H10 H 0.496272 0.844998 0.419210 0.105 Uiso 1 1 calc R U . . .
C267 C 0.9068(3) 0.4464(6) 0.37109(15) 0.063(3) Uani 1 1 d . . . . .
H267 H 0.892488 0.454305 0.382997 0.075 Uiso 1 1 calc R U . . .
C245 C 0.7678(3) 0.6311(6) 0.60958(17) 0.059(3) Uani 1 1 d . . . . .
H245 H 0.790356 0.592220 0.609981 0.071 Uiso 1 1 calc R U . . .
C9 C 0.5521(4) 0.8424(7) 0.4049(2) 0.088(4) Uani 1 1 d . . . . .
H9 H 0.538043 0.868731 0.391832 0.106 Uiso 1 1 calc R U . . .
C304 C 0.9562(3) 0.0752(6) 0.12496(15) 0.059(3) Uani 1 1 d . . . . .
H304 H 0.963057 0.082816 0.111060 0.071 Uiso 1 1 calc R U . . .
C261 C 0.6615(4) 0.9584(8) 0.55650(19) 0.093(4) Uani 1 1 d . . . . .
H261 H 0.678133 0.997352 0.550984 0.111 Uiso 1 1 calc R U . . .
C31 C 0.6521(4) 0.6861(7) 0.27583(16) 0.082(4) Uani 1 1 d . . . . .
H31 H 0.638078 0.657578 0.263160 0.099 Uiso 1 1 calc R U . . .
C191 C 1.0514(3) 0.3052(5) 0.19514(18) 0.062(3) Uani 1 1 d . . . . .
H191 H 1.064757 0.283270 0.208989 0.074 Uiso 1 1 calc R U . . .
C263 C 0.5999(4) 0.9212(7) 0.57242(18) 0.079(3) Uani 1 1 d . . . . .
H263 H 0.573085 0.933124 0.577580 0.095 Uiso 1 1 calc R U . . .
B4 B 0.7395(4) 0.9609(6) 0.06322(15) 0.044(3) Uani 1 1 d . . . . .
C232 C 0.8992(5) 0.2210(6) 0.0792(2) 0.082(4) Uani 1 1 d . . . . .
H232 H 0.893768 0.168254 0.081569 0.098 Uiso 1 1 calc R U . . .
C264 C 0.6157(4) 0.8462(6) 0.57312(16) 0.063(3) Uani 1 1 d . . . . .
H264 H 0.599855 0.808500 0.579560 0.076 Uiso 1 1 calc R U . . .
C94 C 0.4026(3) 0.2756(5) 0.39584(15) 0.049(2) Uani 1 1 d . . . . .
H94 H 0.393249 0.251786 0.381915 0.059 Uiso 1 1 calc R U . . .
N27 N 1.0116(4) 0.6541(6) 0.28105(18) 0.099(3) Uani 1 1 d . . . . .
C177 C 0.8030(4) 0.6603(6) 0.25786(16) 0.069(3) Uani 1 1 d . . . . .
H177 H 0.788172 0.656992 0.269723 0.082 Uiso 1 1 calc R U . . .
C329 C 0.6608(3) 0.8066(6) 0.02602(16) 0.061(3) Uani 1 1 d . . . . .
H329 H 0.655824 0.752840 0.026587 0.074 Uiso 1 1 calc R U . . .
C156 C 0.5416(3) 0.2996(6) 0.08567(16) 0.063(3) Uani 1 1 d . . . . .
H156 H 0.511373 0.289521 0.087644 0.075 Uiso 1 1 calc R U . . .
C45 C 0.7369(5) 0.4178(9) 0.48396(18) 0.095(4) Uani 1 1 d . . . . .
H45 H 0.742244 0.371768 0.492273 0.115 Uiso 1 1 calc R U . . .
C72 C 0.5689(4) 0.3364(6) 0.24126(16) 0.065(3) Uani 1 1 d . . . . .
H72 H 0.552447 0.304919 0.229709 0.079 Uiso 1 1 calc R U . . .
C99 C 0.2919(3) 0.4914(7) 0.35844(15) 0.060(3) Uani 1 1 d . . . . .
H99 H 0.259654 0.501301 0.354891 0.072 Uiso 1 1 calc R U . . .
C186 C 1.0586(5) 0.6104(9) 0.2059(3) 0.125(6) Uani 1 1 d . . . . .
H186 H 1.088359 0.630803 0.206128 0.150 Uiso 1 1 calc R U . . .
C44 C 0.7668(4) 0.4778(10) 0.48859(18) 0.096(5) Uani 1 1 d . . . . .
H44 H 0.792086 0.474893 0.500936 0.115 Uiso 1 1 calc R U . . .
C257 C 0.7653(4) 0.7266(8) 0.53033(19) 0.091(4) Uani 1 1 d . . . . .
H257 H 0.797581 0.736494 0.533161 0.110 Uiso 1 1 calc R U . . .
C98 C 0.3206(3) 0.5340(5) 0.37490(16) 0.055(3) Uani 1 1 d . . . . .
H98 H 0.307802 0.572783 0.382382 0.066 Uiso 1 1 calc R U . . .
C256 C 0.7417(4) 0.7008(7) 0.50966(19) 0.085(4) Uani 1 1 d . . . . .
H256 H 0.757933 0.692020 0.498484 0.102 Uiso 1 1 calc R U . . .
C254 C 0.6729(4) 0.6988(10) 0.52370(18) 0.124(6) Uani 1 1 d . . . . .
H254 H 0.640498 0.689975 0.520812 0.149 Uiso 1 1 calc R U . . .
N25 N 0.7013(6) 0.9227(11) 0.3933(3) 0.172(7) Uani 1 1 d . . . . .
C255 C 0.6971(4) 0.6888(10) 0.50589(19) 0.131(7) Uani 1 1 d . . . . .
H255 H 0.680410 0.673817 0.491737 0.157 Uiso 1 1 calc R U . . .
C185 C 1.0418(6) 0.6135(8) 0.2246(3) 0.130(8) Uani 1 1 d . . . . .
H185 H 1.060167 0.633865 0.237829 0.156 Uiso 1 1 calc R U . . .
B1 B 0.6695(4) 0.7339(7) 0.56448(18) 0.054(3) Uani 1 1 d . . . . .
C29 C 0.7086(5) 0.7804(10) 0.2942(3) 0.116(6) Uani 1 1 d . . . . .
H29 H 0.732986 0.815084 0.293673 0.139 Uiso 1 1 calc R U . . .
C187 C 1.0326(4) 0.5779(6) 0.18659(18) 0.073(3) Uani 1 1 d . . . . .
H187 H 1.045269 0.574503 0.174023 0.088 Uiso 1 1 calc R U . . .
C338 C 0.7873(6) 0.8972(9) 0.4102(2) 0.139(7) Uani 1 1 d . . . . .
H33A H 0.804413 0.892885 0.398689 0.209 Uiso 1 1 calc R U . . .
H33B H 0.789654 0.848746 0.418391 0.209 Uiso 1 1 calc R U . . .
H33C H 0.800344 0.938932 0.420230 0.209 Uiso 1 1 calc R U . . .
C337 C 0.7393(8) 0.9133(11) 0.4006(4) 0.130(7) Uani 1 1 d . . . . .
C344 C 1.0705(5) 0.5729(13) 0.0900(3) 0.171(10) Uani 1 1 d . . . . .
H34G H 1.068527 0.562964 0.074497 0.256 Uiso 1 1 calc R U . . .
H34H H 1.101726 0.590200 0.097024 0.256 Uiso 1 1 calc R U . . .
H34I H 1.048117 0.612767 0.091537 0.256 Uiso 1 1 calc R U . . .
C188 C 0.9483(2) 0.4326(4) 0.16901(12) 0.0297(17) Uani 1 1 d . . . . .
H188 H 0.936379 0.430908 0.182651 0.036 Uiso 1 1 calc R U . . .
C33 C 0.6812(2) 0.5913(4) 0.34153(12) 0.0324(18) Uani 1 1 d . . . . .
H33 H 0.691366 0.600792 0.328496 0.039 Uiso 1 1 calc R U . . .
C68 C 0.5887(2) 0.3697(4) 0.27968(12) 0.0313(17) Uani 1 1 d . . . . .
C270 C 0.9483(3) 0.4206(5) 0.33684(12) 0.041(2) Uani 1 1 d . . . . .
H270 H 0.963750 0.409844 0.325494 0.049 Uiso 1 1 calc R U . . .
C89 C 0.4326(2) 0.3375(4) 0.39835(13) 0.0329(18) Uani 1 1 d . . . . .
C127 C 0.6025(3) 0.5552(5) 0.14027(14) 0.041(2) Uani 1 1 d . . . . .
C317 C 0.6731(3) 0.8962(5) 0.10847(15) 0.053(2) Uani 1 1 d . . . . .
H317 H 0.642367 0.881933 0.108739 0.064 Uiso 1 1 calc R U . . .
C126 C 0.5675(3) 0.4409(5) 0.15405(14) 0.043(2) Uani 1 1 d . . . . .
H126 H 0.538755 0.454962 0.144734 0.052 Uiso 1 1 calc R U . . .
C15 C 0.8079(3) 0.5851(5) 0.39109(16) 0.054(2) Uani 1 1 d . . . . .
H15 H 0.827193 0.541176 0.394520 0.064 Uiso 1 1 calc R U . . .
C150 C 0.6552(3) 0.0838(5) 0.14100(16) 0.055(3) Uani 1 1 d . . . . .
H150 H 0.645662 0.033871 0.144284 0.066 Uiso 1 1 calc R U . . .
C213 C 0.8003(4) 0.6918(6) 0.01131(15) 0.059(3) Uani 1 1 d . . . . .
H213 H 0.804080 0.721788 -0.000797 0.070 Uiso 1 1 calc R U . . .
C62 C 0.4472(3) 0.6286(5) 0.31642(13) 0.044(2) Uani 1 1 d . . . . .
H62 H 0.425769 0.660943 0.321198 0.053 Uiso 1 1 calc R U . . .
B2 B 0.8666(3) 0.3830(5) 0.30932(15) 0.034(2) Uani 1 1 d . . . . .
C326 C 0.6790(3) 0.9617(5) 0.02459(14) 0.052(2) Uani 1 1 d . . . . .
H326 H 0.684287 1.015341 0.023729 0.063 Uiso 1 1 calc R U . . .
C192 C 1.0705(3) 0.2935(5) 0.1777(2) 0.065(3) Uani 1 1 d . . . . .
H192 H 1.096229 0.259913 0.179057 0.078 Uiso 1 1 calc R U . . .
C157 C 0.5517(3) 0.2874(6) 0.06533(15) 0.060(3) Uani 1 1 d . . . . .
H157 H 0.528861 0.267637 0.053477 0.072 Uiso 1 1 calc R U . . .
C184 C 0.9994(5) 0.5872(6) 0.22383(17) 0.094(4) Uani 1 1 d . . . . .
H184 H 0.987488 0.590230 0.236611 0.113 Uiso 1 1 calc R U . . .
C93 C 0.3857(4) 0.2476(6) 0.41329(17) 0.072(3) Uani 1 1 d . . . . .
H93 H 0.365435 0.204637 0.411159 0.086 Uiso 1 1 calc R U . . .
C321 C 0.6840(4) 1.1667(5) 0.06265(15) 0.061(3) Uani 1 1 d . . . . .
H321 H 0.658444 1.188578 0.067209 0.073 Uiso 1 1 calc R U . . .
C30 C 0.6879(5) 0.7401(10) 0.2759(3) 0.123(7) Uani 1 1 d . . . . .
H30 H 0.697750 0.748533 0.262691 0.147 Uiso 1 1 calc R U . . .
C242 C 0.7013(3) 0.7431(5) 0.60815(14) 0.053(3) Uani 1 1 d . . . . .
H242 H 0.678635 0.781433 0.608220 0.064 Uiso 1 1 calc R U . . .
C79 C 0.6576(3) 0.1438(5) 0.30826(15) 0.055(2) Uani 1 1 d . . . . .
H79 H 0.643273 0.094769 0.305848 0.066 Uiso 1 1 calc R U . . .
C331 C 0.7927(3) 0.9368(5) 0.06288(13) 0.046(2) Uani 1 1 d . . . . .
C250 C 0.5502(4) 0.5691(8) 0.54756(19) 0.078(4) Uani 1 1 d . . . . .
H250 H 0.525437 0.533646 0.543452 0.093 Uiso 1 1 calc R U . . .
C251 C 0.5449(4) 0.6438(8) 0.54060(17) 0.072(3) Uani 1 1 d . . . . .
H251 H 0.515861 0.660063 0.531988 0.086 Uiso 1 1 calc R U . . .
C135 C 0.7503(4) 0.2964(6) 0.21951(16) 0.063(3) Uani 1 1 d . . . . .
H135 H 0.763420 0.246363 0.221014 0.076 Uiso 1 1 calc R U . . .
C252 C 0.5809(3) 0.6963(6) 0.54586(16) 0.059(3) Uani 1 1 d . . . . .
H252 H 0.576446 0.747165 0.540281 0.071 Uiso 1 1 calc R U . . .
C335 C 0.8498(4) 0.8517(6) 0.05231(16) 0.066(3) Uani 1 1 d . . . . .
H335 H 0.856249 0.804451 0.046016 0.079 Uiso 1 1 calc R U . . .
C262 C 0.6230(4) 0.9784(7) 0.56425(17) 0.080(3) Uani 1 1 d . . . . .
H262 H 0.612902 1.030232 0.563933 0.096 Uiso 1 1 calc R U . . .
C233 C 0.8770(4) 0.2574(7) 0.0593(2) 0.080(4) Uani 1 1 d . . . . .
H233 H 0.856548 0.229712 0.048066 0.096 Uiso 1 1 calc R U . . .
C285 C 0.7382(3) 0.4466(5) 0.28625(14) 0.044(2) Uani 1 1 d . . . . .
H285 H 0.710715 0.424385 0.277716 0.053 Uiso 1 1 calc R U . . .
C286 C 0.7385(3) 0.5230(5) 0.29211(14) 0.049(2) Uani 1 1 d . . . . .
H286 H 0.711300 0.553328 0.288016 0.059 Uiso 1 1 calc R U . . .
C180 C 0.8466(3) 0.6621(4) 0.22405(12) 0.0358(19) Uani 1 1 d . . . . .
H180 H 0.862268 0.662404 0.212452 0.043 Uiso 1 1 calc R U . . .
C343 C 1.0601(5) 0.5027(15) 0.1005(3) 0.116(6) Uani 1 1 d . . . . .
N28 N 1.0531(6) 0.4525(12) 0.1102(4) 0.211(11) Uani 1 1 d . . . . .
C258 C 0.7417(4) 0.7374(8) 0.54646(18) 0.097(5) Uani 1 1 d . . . . .
H258 H 0.757999 0.757887 0.560067 0.116 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy3 O5 2.189(4) . ?
Dy3 O6 2.243(5) . ?
Dy3 N14 2.613(6) . ?
Dy3 N17 2.602(6) . ?
Dy3 O7 2.248(5) . ?
Dy3 N18 2.658(5) . ?
Dy3 N16 2.661(6) . ?
Dy3 N13 2.611(5) . ?
Dy3 N15 2.716(6) . ?
Dy2 N7 2.606(6) . ?
Dy2 O4 2.194(5) . ?
Dy2 O2 2.255(5) . ?
Dy2 N12 2.616(5) . ?
Dy2 N10 2.588(6) . ?
Dy2 N8 2.681(5) . ?
Dy2 N9 2.650(6) . ?
Dy2 O3 2.254(5) . ?
Dy2 N11 2.668(6) . ?
Dy4 O8 2.175(4) . ?
Dy4 N24 2.641(6) . ?
Dy4 O6 2.254(5) . ?
Dy4 N22 2.678(6) . ?
Dy4 N20 2.699(6) . ?
Dy4 O7 2.233(5) . ?
Dy4 N23 2.682(6) . ?
Dy4 N21 2.679(6) . ?
Dy4 N19 2.681(6) . ?
Dy1 O1 2.160(5) . ?
Dy1 N4 2.696(6) . ?
Dy1 O2 2.238(6) . ?
Dy1 O3 2.242(5) . ?
Dy1 N1 2.685(6) . ?
Dy1 N2 2.648(6) . ?
Dy1 N5 2.655(5) . ?
Dy1 N3 2.702(6) . ?
Dy1 N6 2.688(6) . ?
O8 C226 1.321(8) . ?
N24 C217 1.337(9) . ?
N24 C221 1.352(9) . ?
O1 C4 1.322(9) . ?
N7 C61 1.325(9) . ?
N7 C65 1.332(9) . ?
O5 C124 1.318(8) . ?
O4 C103 1.338(8) . ?
N4 C40 1.508(8) . ?
N4 C39 1.262(9) . ?
O6 O7 1.494(6) . ?
O2 O3 1.495(6) . ?
N22 C201 1.247(9) . ?
N22 C202 1.498(9) . ?
N20 C195 1.268(9) . ?
N20 C188 1.500(9) . ?
N14 C144 1.345(9) . ?
N14 C140 1.339(9) . ?
N12 C67 1.472(8) . ?
N12 C66 1.277(9) . ?
N17 C165 1.355(9) . ?
N17 C161 1.347(9) . ?
N10 C86 1.334(9) . ?
N10 C82 1.371(9) . ?
N8 C102 1.257(9) . ?
N8 C95 1.502(9) . ?
N23 C209 1.479(9) . ?
N23 C216 1.273(9) . ?
N18 C167 1.511(8) . ?
N18 C166 1.274(8) . ?
N16 C153 1.465(8) . ?
N16 C160 1.311(8) . ?
N9 C87 1.258(9) . ?
N9 C88 1.477(8) . ?
N13 C139 1.269(9) . ?
N13 C174 1.489(8) . ?
N1 C60 1.256(9) . ?
N1 C19 1.511(9) . ?
N2 C55 1.338(9) . ?
N2 C59 1.340(9) . ?
N11 C81 1.273(9) . ?
N11 C74 1.495(9) . ?
N15 C145 1.284(9) . ?
N15 C146 1.466(9) . ?
C86 C87 1.477(10) . ?
C86 C85 1.393(10) . ?
N5 C38 1.354(9) . ?
N5 C34 1.360(9) . ?
N3 C54 1.262(8) . ?
N3 C47 1.472(9) . ?
N6 C26 1.466(9) . ?
N6 C33 1.273(9) . ?
C165 C164 1.391(10) . ?
C165 C166 1.463(10) . ?
C144 C143 1.419(10) . ?
C144 C145 1.446(10) . ?
C81 H81 0.9500 . ?
C81 C82 1.467(10) . ?
C35 H35 0.9500 . ?
C35 C34 1.385(9) . ?
C35 C36 1.378(10) . ?
C40 H40 1.0000 . ?
C40 C47 1.547(10) . ?
C40 C41 1.504(10) . ?
C197 H197 0.9500 . ?
C197 C196 1.387(10) . ?
C197 C198 1.373(11) . ?
C226 C227 1.394(10) . ?
C226 C225 1.421(10) . ?
C227 C235 1.516(11) . ?
C227 C228 1.382(10) . ?
C84 H84 0.9500 . ?
C84 C83 1.375(11) . ?
C84 C85 1.396(11) . ?
C61 C102 1.461(10) . ?
C61 C62 1.375(11) . ?
C39 H39 0.9500 . ?
C39 C38 1.455(10) . ?
C133 C123 1.479(11) . ?
C133 C138 1.403(11) . ?
C133 C134 1.407(11) . ?
C123 C124 1.404(10) . ?
C123 C122 1.384(10) . ?
N21 C200 1.332(9) . ?
N21 C196 1.347(9) . ?
C201 H201 0.9500 . ?
C201 C200 1.469(10) . ?
C200 C199 1.402(10) . ?
C55 C54 1.476(10) . ?
C55 C56 1.402(10) . ?
C143 H143 0.9500 . ?
C143 C142 1.400(10) . ?
N19 C222 1.262(9) . ?
N19 C181 1.483(8) . ?
C54 H54 0.9500 . ?
C222 H222 0.9500 . ?
C222 C221 1.449(10) . ?
C47 H47 1.0000 . ?
C47 C48 1.526(10) . ?
C4 C3 1.421(11) . ?
C4 C5 1.432(11) . ?
C195 H195 0.9500 . ?
C195 C196 1.446(10) . ?
C217 C218 1.390(10) . ?
C217 C216 1.472(10) . ?
C3 C13 1.503(11) . ?
C3 C2 1.385(11) . ?
C87 H87 0.9500 . ?
C209 H209 1.0000 . ?
C209 C202 1.533(9) . ?
C209 C210 1.520(10) . ?
C38 C37 1.382(10) . ?
C221 C220 1.397(10) . ?
C167 H167 1.0000 . ?
C167 C168 1.503(9) . ?
C167 C174 1.533(9) . ?
C76 H76 0.9500 . ?
C76 C75 1.369(10) . ?
C76 C77 1.386(11) . ?
C224 H224 0.9500 . ?
C224 C225 1.395(10) . ?
C224 C223 1.366(12) . ?
C101 H101 0.9500 . ?
C101 C96 1.381(11) . ?
C101 C100 1.402(11) . ?
C189 C190 1.377(11) . ?
C189 C194 1.390(11) . ?
C189 C188 1.517(9) . ?
C75 C74 1.512(9) . ?
C75 C80 1.384(11) . ?
C59 C60 1.460(10) . ?
C59 C58 1.401(10) . ?
C67 H67 1.0000 . ?
C67 C74 1.548(9) . ?
C67 C68 1.528(10) . ?
C102 H102 0.9500 . ?
C202 H202 1.0000 . ?
C202 C203 1.495(10) . ?
C159 H159 0.9500 . ?
C159 C154 1.385(10) . ?
C159 C158 1.386(10) . ?
C83 H83 0.9500 . ?
C83 C82 1.378(10) . ?
C210 C215 1.416(11) . ?
C210 C211 1.349(11) . ?
C48 C49 1.375(11) . ?
C48 C53 1.380(11) . ?
C145 H145 0.9500 . ?
C34 C33 1.440(10) . ?
C164 H164 0.9500 . ?
C164 C163 1.382(10) . ?
C60 H60 0.9500 . ?
C132 H132 0.9500 . ?
C132 C131 1.396(12) . ?
C132 C127 1.387(11) . ?
C314 H314 0.9500 . ?
C314 C315 1.379(11) . ?
C314 C313 1.414(11) . ?
C295 C300 1.408(10) . ?
C295 C296 1.407(10) . ?
C295 B3 1.635(11) . ?
C65 C66 1.454(10) . ?
C65 C64 1.401(10) . ?
C36 H36 0.9500 . ?
C36 C37 1.378(10) . ?
C96 C97 1.389(10) . ?
C96 C95 1.506(10) . ?
C105 H105 0.9500 . ?
C105 C104 1.381(10) . ?
C105 C106 1.367(12) . ?
C66 H66 0.9500 . ?
C166 H166 0.9500 . ?
C5 C6 1.404(11) . ?
C5 C7 1.487(11) . ?
C74 H74 1.0000 . ?
C85 H85 0.9500 . ?
C37 H37 0.9500 . ?
C287 H287 0.9500 . ?
C287 C288 1.392(11) . ?
C287 C286 1.369(12) . ?
C26 H26 1.0000 . ?
C26 C27 1.515(11) . ?
C26 C19 1.541(10) . ?
C153 H153 1.0000 . ?
C153 C154 1.529(10) . ?
C153 C146 1.541(10) . ?
C27 C32 1.395(13) . ?
C27 C28 1.394(13) . ?
C125 C124 1.447(10) . ?
C125 C127 1.481(11) . ?
C125 C126 1.394(11) . ?
C218 H218 0.9500 . ?
C218 C219 1.385(10) . ?
C298 H298 0.9500 . ?
C298 C299 1.400(12) . ?
C298 C297 1.374(12) . ?
C154 C155 1.359(11) . ?
C104 C109 1.494(11) . ?
C104 C103 1.417(10) . ?
C142 H142 0.9500 . ?
C142 C141 1.369(10) . ?
C63 H63 0.9500 . ?
C63 C64 1.371(10) . ?
C63 C62 1.384(10) . ?
C128 H128 0.9500 . ?
C128 C129 1.400(12) . ?
C128 C127 1.410(11) . ?
C21 H21 0.9500 . ?
C21 C20 1.377(11) . ?
C21 C22 1.394(11) . ?
C129 H129 0.9500 . ?
C129 C130 1.350(13) . ?
C168 C173 1.384(10) . ?
C168 C169 1.392(10) . ?
C300 H300 0.9500 . ?
C300 C299 1.369(11) . ?
C199 H199 0.9500 . ?
C199 C198 1.393(10) . ?
C271 C276 1.419(11) . ?
C271 C272 1.412(10) . ?
C271 B2 1.652(11) . ?
C276 H276 0.9500 . ?
C276 C275 1.382(11) . ?
C161 C160 1.428(10) . ?
C161 C162 1.390(10) . ?
C172 H172 0.9500 . ?
C172 C173 1.398(10) . ?
C172 C171 1.379(11) . ?
C140 C139 1.455(10) . ?
C140 C141 1.392(10) . ?
C272 H272 0.9500 . ?
C272 C273 1.381(11) . ?
C146 H146 1.0000 . ?
C146 C147 1.520(10) . ?
C308 H308 0.9500 . ?
C308 C307 1.403(11) . ?
C308 C309 1.404(11) . ?
C173 H173 0.9500 . ?
C160 H160 0.9500 . ?
C14 H14 0.9500 . ?
C14 C13 1.391(11) . ?
C14 C15 1.363(12) . ?
C216 H216 0.9500 . ?
C115 C116 1.377(11) . ?
C115 C108 1.481(11) . ?
C115 C120 1.418(11) . ?
C315 H315 0.9500 . ?
C315 C316 1.374(13) . ?
C291 H291 0.9500 . ?
C291 C290 1.401(11) . ?
C291 C292 1.368(11) . ?
C230 H230 0.9500 . ?
C230 C229 1.395(12) . ?
C230 C231 1.398(13) . ?
C203 C204 1.371(11) . ?
C203 C208 1.394(11) . ?
C13 C18 1.372(11) . ?
C198 H198 0.9500 . ?
C163 H163 0.9500 . ?
C163 C162 1.373(10) . ?
C307 C312 1.398(11) . ?
C307 B3 1.675(12) . ?
C6 H6 0.9500 . ?
C6 C1 1.380(12) . ?
C175 C174 1.514(9) . ?
C175 C176 1.412(11) . ?
C175 C180 1.368(10) . ?
C290 H290 0.9500 . ?
C290 C289 1.402(10) . ?
C152 H152 0.9500 . ?
C152 C147 1.387(10) . ?
C152 C151 1.375(11) . ?
C225 C229 1.523(11) . ?
C80 H80 0.9500 . ?
C80 C79 1.387(11) . ?
C139 H139 0.9500 . ?
C316 H316 0.9500 . ?
C316 C317 1.392(13) . ?
C97 H97 0.9500 . ?
C97 C98 1.395(11) . ?
C20 C19 1.508(10) . ?
C20 C25 1.369(10) . ?
C322 H322 0.9500 . ?
C322 C323 1.343(13) . ?
C322 C321 1.377(13) . ?
C116 H116 0.9500 . ?
C116 C117 1.379(11) . ?
C220 H220 0.9500 . ?
C220 C219 1.352(10) . ?
C138 H138 0.9500 . ?
C138 C137 1.347(11) . ?
C147 C148 1.367(11) . ?
C319 C324 1.414(12) . ?
C319 C320 1.416(12) . ?
C319 B4 1.645(13) . ?
C299 H299 0.9500 . ?
C235 C240 1.415(11) . ?
C235 C236 1.395(11) . ?
C215 H215 0.9500 . ?
C215 C214 1.395(11) . ?
C341 C342 1.432(13) . ?
C341 N27 1.130(12) . ?
C284 H284 0.9500 . ?
C284 C283 1.399(10) . ?
C284 C285 1.383(10) . ?
C131 H131 0.9500 . ?
C131 C130 1.363(14) . ?
C69 H69 0.9500 . ?
C69 C70 1.388(10) . ?
C69 C68 1.380(10) . ?
C108 C103 1.436(11) . ?
C108 C107 1.383(11) . ?
C174 H174 1.0000 . ?
C169 H169 0.9500 . ?
C169 C170 1.412(11) . ?
C318 H318 0.9500 . ?
C318 C313 1.418(11) . ?
C318 C317 1.370(11) . ?
C204 H204 0.9500 . ?
C204 C205 1.402(11) . ?
C289 C294 1.417(10) . ?
C289 B3 1.644(12) . ?
C134 H134 0.9500 . ?
C134 C135 1.357(12) . ?
C181 H181 1.0000 . ?
C181 C182 1.522(10) . ?
C181 C188 1.534(10) . ?
C288 H288 0.9500 . ?
C288 C283 1.406(11) . ?
C274 H274 0.9500 . ?
C274 C273 1.368(11) . ?
C274 C275 1.399(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.386(13) . ?
C16 C15 1.393(12) . ?
C190 H190 0.9500 . ?
C190 C191 1.404(12) . ?
C121 H121 0.9500 . ?
C121 C122 1.383(11) . ?
C121 C126 1.377(11) . ?
C339 C340 1.453(12) . ?
C339 N26 1.111(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.419(12) . ?
C109 C110 1.372(12) . ?
C109 C114 1.390(11) . ?
C241 C246 1.423(13) . ?
C241 B1 1.646(14) . ?
C241 C242 1.441(12) . ?
C78 H78 0.9500 . ?
C78 C77 1.363(12) . ?
C78 C79 1.395(12) . ?
C2 H2 0.9500 . ?
C2 C1 1.394(12) . ?
C56 H56 0.9500 . ?
C56 C57 1.350(11) . ?
C19 H19 1.0000 . ?
C141 H141 0.9500 . ?
C158 H158 0.9500 . ?
C158 C157 1.371(12) . ?
C296 H296 0.9500 . ?
C296 C297 1.377(11) . ?
C273 H273 0.9500 . ?
C137 H137 0.9500 . ?
C137 C136 1.410(13) . ?
C58 H58 0.9500 . ?
C58 C57 1.402(11) . ?
C25 H25 0.9500 . ?
C25 C24 1.398(11) . ?
C7 C12 1.364(12) . ?
C7 C8 1.392(12) . ?
C57 H57 0.9500 . ?
C323 H323 0.9500 . ?
C323 C324 1.407(13) . ?
C95 H95 1.0000 . ?
C95 C88 1.527(9) . ?
C223 H223 0.9500 . ?
C223 C228 1.429(12) . ?
C90 H90 0.9500 . ?
C90 C91 1.396(11) . ?
C90 C89 1.404(10) . ?
C312 H312 0.9500 . ?
C312 C311 1.372(11) . ?
C64 H64 0.9500 . ?
C1 H1 0.9500 . ?
C122 H122 0.9500 . ?
C49 H49 0.9500 . ?
C49 C50 1.407(14) . ?
C41 C42 1.407(12) . ?
C41 C46 1.359(12) . ?
C240 H240 0.9500 . ?
C240 C239 1.386(12) . ?
C282 H282 0.9500 . ?
C282 C277 1.400(11) . ?
C282 C281 1.422(12) . ?
C91 H91 0.9500 . ?
C91 C92 1.403(12) . ?
C228 H228 0.9500 . ?
C313 B4 1.653(12) . ?
C42 H42 0.9500 . ?
C42 C43 1.382(12) . ?
C171 H171 0.9500 . ?
C171 C170 1.356(11) . ?
C148 H148 0.9500 . ?
C148 C149 1.383(11) . ?
C311 H311 0.9500 . ?
C311 C310 1.373(12) . ?
C248 H248 0.9500 . ?
C248 C249 1.397(12) . ?
C248 C247 1.411(13) . ?
C50 H50 0.9500 . ?
C50 C51 1.369(17) . ?
C306 H306 0.9500 . ?
C306 C301 1.423(10) . ?
C306 C305 1.366(11) . ?
C324 H324 0.9500 . ?
C107 H107 0.9500 . ?
C107 C106 1.387(12) . ?
C120 H120 0.9500 . ?
C120 C119 1.353(12) . ?
C112 H112 0.9500 . ?
C112 C113 1.370(13) . ?
C112 C111 1.412(13) . ?
C283 B2 1.608(11) . ?
C155 H155 0.9500 . ?
C155 C156 1.414(12) . ?
C178 H178 0.9500 . ?
C178 C179 1.383(13) . ?
C178 C177 1.360(14) . ?
C110 H110 0.9500 . ?
C110 C111 1.418(13) . ?
C179 H179 0.9500 . ?
C179 C180 1.398(10) . ?
C236 H236 0.9500 . ?
C236 C237 1.410(12) . ?
C113 H113 0.9500 . ?
C113 C114 1.386(12) . ?
C22 H22 0.9500 . ?
C22 C23 1.370(13) . ?
C211 H211 0.9500 . ?
C211 C212 1.436(12) . ?
C183 H183 0.9500 . ?
C183 C182 1.394(12) . ?
C183 C184 1.423(13) . ?
C229 C234 1.362(12) . ?
C176 H176 0.9500 . ?
C176 C177 1.397(13) . ?
C334 H334 0.9500 . ?
C334 C333 1.372(13) . ?
C334 C335 1.369(13) . ?
C170 H170 0.9500 . ?
C277 C278 1.421(11) . ?
C277 B2 1.674(12) . ?
C325 C330 1.409(11) . ?
C325 B4 1.626(12) . ?
C325 C326 1.403(11) . ?
C219 H219 0.9500 . ?
C18 H18 0.9500 . ?
C292 H292 0.9500 . ?
C292 C293 1.381(11) . ?
C73 H73 0.9500 . ?
C73 C72 1.373(12) . ?
C73 C68 1.404(11) . ?
C259 C260 1.394(12) . ?
C259 C264 1.408(13) . ?
C259 B1 1.611(15) . ?
C205 H205 0.9500 . ?
C205 C206 1.357(14) . ?
C194 H194 0.9500 . ?
C194 C193 1.379(11) . ?
C275 H275 0.9500 . ?
C88 H88 1.0000 . ?
C88 C89 1.508(10) . ?
C214 H214 0.9500 . ?
C214 C213 1.327(12) . ?
C106 H106 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.413(13) . ?
C320 H320 0.9500 . ?
C320 C321 1.370(12) . ?
C333 H333 0.9500 . ?
C333 C332 1.402(12) . ?
C212 H212 0.9500 . ?
C212 C213 1.363(13) . ?
C327 H327 0.9500 . ?
C327 C328 1.415(14) . ?
C327 C326 1.393(12) . ?
C249 H249 0.9500 . ?
C249 C250 1.381(15) . ?
C294 H294 0.9500 . ?
C294 C293 1.392(10) . ?
C265 C266 1.403(11) . ?
C265 C270 1.416(10) . ?
C265 B2 1.651(11) . ?
C239 H239 0.9500 . ?
C239 C238 1.366(13) . ?
C70 H70 0.9500 . ?
C70 C71 1.385(13) . ?
C130 H130 0.9500 . ?
C114 H114 0.9500 . ?
C293 H293 0.9500 . ?
C301 B3 1.644(12) . ?
C301 C302 1.409(11) . ?
C117 H117 0.9500 . ?
C117 C118 1.369(13) . ?
C111 H111 0.9500 . ?
C162 H162 0.9500 . ?
C182 C187 1.371(12) . ?
C208 H208 0.9500 . ?
C208 C207 1.368(12) . ?
C136 H136 0.9500 . ?
C136 C135 1.392(13) . ?
C32 H32 0.9500 . ?
C32 C31 1.430(12) . ?
C53 H53 0.9500 . ?
C53 C52 1.417(12) . ?
C51 H51 0.9500 . ?
C51 C52 1.345(16) . ?
C302 H302 0.9500 . ?
C302 C303 1.382(11) . ?
C237 H237 0.9500 . ?
C237 C238 1.387(13) . ?
C309 H309 0.9500 . ?
C309 C310 1.379(12) . ?
C207 H207 0.9500 . ?
C207 C206 1.406(15) . ?
C8 H8 0.9500 . ?
C8 C9 1.371(13) . ?
C281 H281 0.9500 . ?
C281 C280 1.348(13) . ?
C280 H280 0.9500 . ?
C280 C279 1.390(13) . ?
C328 H328 0.9500 . ?
C328 C329 1.354(13) . ?
C46 H46 0.9500 . ?
C46 C45 1.405(14) . ?
C297 H297 0.9500 . ?
C238 H238 0.9500 . ?
C100 H100 0.9500 . ?
C100 C99 1.357(13) . ?
C234 H234 0.9500 . ?
C234 C233 1.401(13) . ?
C340 H34D 0.9800 . ?
C340 H34E 0.9800 . ?
C340 H34F 0.9800 . ?
C278 H278 0.9500 . ?
C278 C279 1.379(11) . ?
C246 H246 0.9500 . ?
C246 C245 1.384(13) . ?
C28 H28 0.9500 . ?
C28 C29 1.357(15) . ?
C336 H336 0.9500 . ?
C336 C331 1.406(11) . ?
C336 C335 1.405(13) . ?
C342 H34A 0.9800 . ?
C342 H34B 0.9800 . ?
C342 H34C 0.9800 . ?
C149 H149 0.9500 . ?
C149 C150 1.392(12) . ?
C77 H77 0.9500 . ?
C231 H231 0.9500 . ?
C231 C232 1.350(16) . ?
C305 H305 0.9500 . ?
C305 C304 1.397(12) . ?
C119 H119 0.9500 . ?
C119 C118 1.378(13) . ?
C118 H118 0.9500 . ?
C310 H310 0.9500 . ?
C206 H206 0.9500 . ?
C24 H24 0.9500 . ?
C24 C23 1.386(13) . ?
C243 H243 0.9500 . ?
C243 C244 1.380(13) . ?
C243 C242 1.394(13) . ?
C247 B1 1.661(13) . ?
C247 C252 1.419(13) . ?
C11 H11 0.9500 . ?
C11 C10 1.391(16) . ?
C244 H244 0.9500 . ?
C244 C245 1.370(13) . ?
C279 H279 0.9500 . ?
C269 H269 0.9500 . ?
C269 C268 1.340(12) . ?
C269 C270 1.406(11) . ?
C253 C254 1.347(13) . ?
C253 B1 1.660(13) . ?
C253 C258 1.384(12) . ?
C330 H330 0.9500 . ?
C330 C329 1.406(11) . ?
C332 H332 0.9500 . ?
C332 C331 1.433(12) . ?
C193 H193 0.9500 . ?
C193 C192 1.332(13) . ?
C71 H71 0.9500 . ?
C71 C72 1.364(13) . ?
C266 H266 0.9500 . ?
C266 C267 1.383(12) . ?
C92 H92 0.9500 . ?
C92 C93 1.345(13) . ?
C23 H23 0.9500 . ?
C43 H43 0.9500 . ?
C43 C44 1.411(17) . ?
C260 H260 0.9500 . ?
C260 C261 1.408(15) . ?
C303 H303 0.9500 . ?
C303 C304 1.393(12) . ?
C52 H52 0.9500 . ?
C151 H151 0.9500 . ?
C151 C150 1.379(12) . ?
C268 H268 0.9500 . ?
C268 C267 1.377(13) . ?
C10 H10 0.9500 . ?
C10 C9 1.411(17) . ?
C267 H267 0.9500 . ?
C245 H245 0.9500 . ?
C9 H9 0.9500 . ?
C304 H304 0.9500 . ?
C261 H261 0.9500 . ?
C261 C262 1.385(15) . ?
C31 H31 0.9500 . ?
C31 C30 1.417(19) . ?
C191 H191 0.9500 . ?
C191 C192 1.363(13) . ?
C263 H263 0.9500 . ?
C263 C264 1.383(15) . ?
C263 C262 1.373(15) . ?
B4 C331 1.641(14) . ?
C232 H232 0.9500 . ?
C232 C233 1.422(16) . ?
C264 H264 0.9500 . ?
C94 H94 0.9500 . ?
C94 C89 1.385(10) . ?
C94 C93 1.393(12) . ?
C177 H177 0.9500 . ?
C329 H329 0.9500 . ?
C156 H156 0.9500 . ?
C156 C157 1.394(13) . ?
C45 H45 0.9500 . ?
C45 C44 1.358(18) . ?
C72 H72 0.9500 . ?
C99 H99 0.9500 . ?
C99 C98 1.393(13) . ?
C186 H186 0.9500 . ?
C186 C185 1.38(2) . ?
C186 C187 1.400(15) . ?
C44 H44 0.9500 . ?
C257 H257 0.9500 . ?
C257 C256 1.400(15) . ?
C257 C258 1.372(14) . ?
C98 H98 0.9500 . ?
C256 H256 0.9500 . ?
C256 C255 1.310(15) . ?
C254 H254 0.9500 . ?
C254 C255 1.472(14) . ?
N25 C337 1.13(2) . ?
C255 H255 0.9500 . ?
C185 H185 0.9500 . ?
C185 C184 1.332(19) . ?
C29 H29 0.9500 . ?
C29 C30 1.37(2) . ?
C187 H187 0.9500 . ?
C338 H33A 0.9800 . ?
C338 H33B 0.9800 . ?
C338 H33C 0.9800 . ?
C338 C337 1.44(2) . ?
C344 H34G 0.9800 . ?
C344 H34H 0.9800 . ?
C344 H34I 0.9800 . ?
C344 C343 1.45(2) . ?
C188 H188 1.0000 . ?
C33 H33 0.9500 . ?
C270 H270 0.9500 . ?
C317 H317 0.9500 . ?
C126 H126 0.9500 . ?
C15 H15 0.9500 . ?
C150 H150 0.9500 . ?
C213 H213 0.9500 . ?
C62 H62 0.9500 . ?
C326 H326 0.9500 . ?
C192 H192 0.9500 . ?
C157 H157 0.9500 . ?
C184 H184 0.9500 . ?
C93 H93 0.9500 . ?
C321 H321 0.9500 . ?
C30 H30 0.9500 . ?
C242 H242 0.9500 . ?
C79 H79 0.9500 . ?
C250 H250 0.9500 . ?
C250 C251 1.369(15) . ?
C251 H251 0.9500 . ?
C251 C252 1.389(13) . ?
C135 H135 0.9500 . ?
C252 H252 0.9500 . ?
C335 H335 0.9500 . ?
C262 H262 0.9500 . ?
C233 H233 0.9500 . ?
C285 H285 0.9500 . ?
C285 C286 1.380(11) . ?
C286 H286 0.9500 . ?
C180 H180 0.9500 . ?
C343 N28 1.11(2) . ?
C258 H258 0.9500 . ?

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
O5 Dy3 O6 158.24(17) . . ?
O5 Dy3 N14 94.66(18) . . ?
O5 Dy3 N17 95.09(17) . . ?
O5 Dy3 O7 162.89(17) . . ?
O5 Dy3 N18 87.96(19) . . ?
O5 Dy3 N16 80.97(17) . . ?
O5 Dy3 N13 78.21(18) . . ?
O5 Dy3 N15 90.79(19) . . ?
O6 Dy3 N14 74.1(2) . . ?
O6 Dy3 N17 97.0(2) . . ?
O6 Dy3 O7 38.87(16) . . ?
O6 Dy3 N18 82.3(2) . . ?
O6 Dy3 N16 120.75(17) . . ?
O6 Dy3 N13 80.04(17) . . ?
O6 Dy3 N15 99.2(2) . . ?
N14 Dy3 N18 120.57(18) . . ?
N14 Dy3 N16 119.55(17) . . ?
N14 Dy3 N15 60.50(18) . . ?
N17 Dy3 N14 170.20(17) . . ?
N17 Dy3 N18 60.77(18) . . ?
N17 Dy3 N16 61.31(17) . . ?
N17 Dy3 N13 121.80(17) . . ?
N17 Dy3 N15 118.40(18) . . ?
O7 Dy3 N14 94.8(2) . . ?
O7 Dy3 N17 75.51(19) . . ?
O7 Dy3 N18 99.4(2) . . ?
O7 Dy3 N16 81.97(17) . . ?
O7 Dy3 N13 118.87(18) . . ?
O7 Dy3 N15 81.6(2) . . ?
N18 Dy3 N16 119.47(17) . . ?
N18 Dy3 N15 178.42(17) . . ?
N16 Dy3 N15 59.33(17) . . ?
N13 Dy3 N14 61.38(18) . . ?
N13 Dy3 N18 61.26(17) . . ?
N13 Dy3 N16 159.15(17) . . ?
N13 Dy3 N15 119.42(17) . . ?
N7 Dy2 N12 61.52(18) . . ?
N7 Dy2 N8 60.43(17) . . ?
N7 Dy2 N9 120.79(18) . . ?
N7 Dy2 N11 119.99(17) . . ?
O4 Dy2 N7 95.46(18) . . ?
O4 Dy2 O2 162.47(18) . . ?
O4 Dy2 N12 77.47(18) . . ?
O4 Dy2 N10 94.44(18) . . ?
O4 Dy2 N8 92.03(18) . . ?
O4 Dy2 N9 81.18(18) . . ?
O4 Dy2 O3 158.79(18) . . ?
O4 Dy2 N11 87.01(17) . . ?
O2 Dy2 N7 94.9(2) . . ?
O2 Dy2 N12 119.98(18) . . ?
O2 Dy2 N10 75.4(2) . . ?
O2 Dy2 N8 80.85(19) . . ?
O2 Dy2 N9 81.38(18) . . ?
O2 Dy2 N11 99.99(19) . . ?
N12 Dy2 N8 119.40(18) . . ?
N12 Dy2 N9 158.65(18) . . ?
N12 Dy2 N11 60.71(18) . . ?
N10 Dy2 N7 170.09(18) . . ?
N10 Dy2 N12 121.38(18) . . ?
N10 Dy2 N8 118.83(18) . . ?
N10 Dy2 N9 60.53(18) . . ?
N10 Dy2 N11 60.94(18) . . ?
N9 Dy2 N8 60.66(18) . . ?
N9 Dy2 N11 118.82(18) . . ?
O3 Dy2 N7 73.8(2) . . ?
O3 Dy2 O2 38.71(16) . . ?
O3 Dy2 N12 81.32(18) . . ?
O3 Dy2 N10 96.9(2) . . ?
O3 Dy2 N8 98.09(19) . . ?
O3 Dy2 N9 120.03(18) . . ?
O3 Dy2 N11 82.93(19) . . ?
N11 Dy2 N8 178.98(18) . . ?
O8 Dy4 N24 92.70(19) . . ?
O8 Dy4 O6 160.89(18) . . ?
O8 Dy4 N22 86.17(18) . . ?
O8 Dy4 N20 88.29(17) . . ?
O8 Dy4 O7 159.83(18) . . ?
O8 Dy4 N23 85.18(18) . . ?
O8 Dy4 N21 97.6(2) . . ?
O8 Dy4 N19 84.38(18) . . ?
N24 Dy4 N22 121.39(18) . . ?
N24 Dy4 N20 120.01(18) . . ?
N24 Dy4 N23 60.71(17) . . ?
N24 Dy4 N21 169.74(16) . . ?
N24 Dy4 N19 60.13(18) . . ?
O6 Dy4 N24 77.7(2) . . ?
O6 Dy4 N22 112.94(18) . . ?
O6 Dy4 N20 82.49(19) . . ?
O6 Dy4 N23 103.8(2) . . ?
O6 Dy4 N21 92.3(2) . . ?
O6 Dy4 N19 76.51(17) . . ?
N22 Dy4 N20 118.52(18) . . ?
N22 Dy4 N23 60.81(18) . . ?
N22 Dy4 N21 60.19(18) . . ?
N22 Dy4 N19 170.50(18) . . ?
O7 Dy4 N24 92.7(2) . . ?
O7 Dy4 O6 38.91(16) . . ?
O7 Dy4 N22 74.45(18) . . ?
O7 Dy4 N20 105.67(19) . . ?
O7 Dy4 N23 80.58(19) . . ?
O7 Dy4 N21 77.8(2) . . ?
O7 Dy4 N19 115.06(18) . . ?
N23 Dy4 N20 173.47(17) . . ?
N23 Dy4 N19 119.11(17) . . ?
N21 Dy4 N20 60.07(18) . . ?
N21 Dy4 N23 120.55(18) . . ?
N21 Dy4 N19 120.26(18) . . ?
N19 Dy4 N20 60.33(19) . . ?
O1 Dy1 N4 85.78(19) . . ?
O1 Dy1 O2 161.09(18) . . ?
O1 Dy1 O3 159.45(18) . . ?
O1 Dy1 N1 87.04(19) . . ?
O1 Dy1 N2 97.18(19) . . ?
O1 Dy1 N5 92.81(18) . . ?
O1 Dy1 N3 86.66(19) . . ?
O1 Dy1 N6 83.83(19) . . ?
N4 Dy1 N3 60.20(17) . . ?
O2 Dy1 N4 80.5(2) . . ?
O2 Dy1 O3 38.98(16) . . ?
O2 Dy1 N1 106.32(19) . . ?
O2 Dy1 N2 78.8(2) . . ?
O2 Dy1 N5 91.71(19) . . ?
O2 Dy1 N3 75.24(17) . . ?
O2 Dy1 N6 114.24(18) . . ?
O3 Dy1 N4 103.7(2) . . ?
O3 Dy1 N1 83.31(19) . . ?
O3 Dy1 N2 93.7(2) . . ?
O3 Dy1 N5 76.8(2) . . ?
O3 Dy1 N3 113.89(18) . . ?
O3 Dy1 N6 75.62(18) . . ?
N1 Dy1 N4 172.79(18) . . ?
N1 Dy1 N3 118.71(18) . . ?
N1 Dy1 N6 60.59(18) . . ?
N2 Dy1 N4 120.21(18) . . ?
N2 Dy1 N1 60.14(18) . . ?
N2 Dy1 N5 170.01(18) . . ?
N2 Dy1 N3 60.40(18) . . ?
N2 Dy1 N6 120.56(19) . . ?
N5 Dy1 N4 60.45(17) . . ?
N5 Dy1 N1 120.65(18) . . ?
N5 Dy1 N3 120.52(18) . . ?
N5 Dy1 N6 60.42(18) . . ?
N6 Dy1 N4 119.13(17) . . ?
N6 Dy1 N3 170.49(18) . . ?
C226 O8 Dy4 149.7(4) . . ?
C217 N24 Dy4 122.3(5) . . ?
C217 N24 C221 116.3(6) . . ?
C221 N24 Dy4 120.7(4) . . ?
C4 O1 Dy1 148.9(5) . . ?
C61 N7 Dy2 120.9(5) . . ?
C61 N7 C65 118.0(6) . . ?
C65 N7 Dy2 119.9(5) . . ?
C124 O5 Dy3 142.0(4) . . ?
C103 O4 Dy2 141.6(4) . . ?
C40 N4 Dy1 125.3(4) . . ?
C39 N4 Dy1 120.3(5) . . ?
C39 N4 C40 113.7(6) . . ?
Dy3 O6 Dy4 140.5(2) . . ?
O7 O6 Dy3 70.7(2) . . ?
O7 O6 Dy4 69.8(2) . . ?
Dy1 O2 Dy2 141.3(2) . . ?
O3 O2 Dy2 70.6(3) . . ?
O3 O2 Dy1 70.7(3) . . ?
C201 N22 Dy4 121.0(5) . . ?
C201 N22 C202 117.1(6) . . ?
C202 N22 Dy4 121.7(4) . . ?
C195 N20 Dy4 120.2(5) . . ?
C195 N20 C188 114.7(6) . . ?
C188 N20 Dy4 124.5(4) . . ?
C144 N14 Dy3 121.6(5) . . ?
C140 N14 Dy3 120.2(4) . . ?
C140 N14 C144 117.4(6) . . ?
C67 N12 Dy2 118.8(4) . . ?
C66 N12 Dy2 120.8(5) . . ?
C66 N12 C67 120.2(6) . . ?
C165 N17 Dy3 120.9(5) . . ?
C161 N17 Dy3 121.2(4) . . ?
C161 N17 C165 116.7(6) . . ?
Dy4 O7 Dy3 141.7(2) . . ?
O6 O7 Dy3 70.4(2) . . ?
O6 O7 Dy4 71.3(2) . . ?
C86 N10 Dy2 122.4(5) . . ?
C86 N10 C82 115.1(6) . . ?
C82 N10 Dy2 121.4(5) . . ?
C102 N8 Dy2 119.3(5) . . ?
C102 N8 C95 117.3(6) . . ?
C95 N8 Dy2 122.5(4) . . ?
C209 N23 Dy4 124.4(4) . . ?
C216 N23 Dy4 120.4(5) . . ?
C216 N23 C209 114.6(6) . . ?
C167 N18 Dy3 122.7(4) . . ?
C166 N18 Dy3 120.0(5) . . ?
C166 N18 C167 116.5(6) . . ?
C153 N16 Dy3 120.9(4) . . ?
C160 N16 Dy3 119.0(4) . . ?
C160 N16 C153 120.1(6) . . ?
C87 N9 Dy2 121.7(5) . . ?
C87 N9 C88 119.2(6) . . ?
C88 N9 Dy2 119.1(4) . . ?
Dy1 O3 Dy2 141.0(2) . . ?
O2 O3 Dy2 70.7(3) . . ?
O2 O3 Dy1 70.3(3) . . ?
C139 N13 Dy3 121.2(5) . . ?
C139 N13 C174 120.1(6) . . ?
C174 N13 Dy3 118.6(4) . . ?
C60 N1 Dy1 120.9(5) . . ?
C60 N1 C19 114.2(6) . . ?
C19 N1 Dy1 124.3(4) . . ?
C55 N2 Dy1 121.1(5) . . ?
C55 N2 C59 116.4(6) . . ?
C59 N2 Dy1 122.1(5) . . ?
C81 N11 Dy2 119.5(5) . . ?
C81 N11 C74 116.9(6) . . ?
C74 N11 Dy2 122.8(4) . . ?
C145 N15 Dy3 118.3(5) . . ?
C145 N15 C146 117.1(6) . . ?
C146 N15 Dy3 123.8(4) . . ?
N10 C86 C87 114.4(6) . . ?
N10 C86 C85 125.1(7) . . ?
C85 C86 C87 120.2(7) . . ?
C38 N5 Dy1 121.9(5) . . ?
C38 N5 C34 117.4(6) . . ?
C34 N5 Dy1 120.3(4) . . ?
C54 N3 Dy1 120.1(5) . . ?
C54 N3 C47 117.6(6) . . ?
C47 N3 Dy1 122.3(4) . . ?
C26 N6 Dy1 121.2(4) . . ?
C33 N6 Dy1 119.7(5) . . ?
C33 N6 C26 118.8(6) . . ?
N17 C165 C164 123.1(7) . . ?
N17 C165 C166 114.8(6) . . ?
C164 C165 C166 121.9(7) . . ?
N14 C144 C143 123.0(7) . . ?
N14 C144 C145 116.0(6) . . ?
C143 C144 C145 120.9(7) . . ?
N11 C81 H81 120.0 . . ?
N11 C81 C82 119.9(7) . . ?
C82 C81 H81 120.0 . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C36 C35 C34 119.4(7) . . ?
N4 C40 H40 107.9 . . ?
N4 C40 C47 109.2(6) . . ?
C47 C40 H40 107.9 . . ?
C41 C40 N4 114.1(6) . . ?
C41 C40 H40 107.9 . . ?
C41 C40 C47 109.5(6) . . ?
C196 C197 H197 120.1 . . ?
C198 C197 H197 120.1 . . ?
C198 C197 C196 119.7(7) . . ?
O8 C226 C227 121.6(7) . . ?
O8 C226 C225 121.7(7) . . ?
C227 C226 C225 116.3(6) . . ?
C226 C227 C235 120.9(6) . . ?
C228 C227 C226 123.3(7) . . ?
C228 C227 C235 115.3(7) . . ?
C83 C84 H84 120.4 . . ?
C83 C84 C85 119.2(7) . . ?
C85 C84 H84 120.4 . . ?
N7 C61 C102 116.1(6) . . ?
N7 C61 C62 122.5(7) . . ?
C62 C61 C102 121.4(7) . . ?
N4 C39 H39 119.1 . . ?
N4 C39 C38 121.7(7) . . ?
C38 C39 H39 119.1 . . ?
C138 C133 C123 120.5(7) . . ?
C138 C133 C134 115.2(8) . . ?
C134 C133 C123 124.1(8) . . ?
C124 C123 C133 119.7(7) . . ?
C122 C123 C133 120.0(7) . . ?
C122 C123 C124 120.3(8) . . ?
C200 N21 Dy4 120.4(5) . . ?
C200 N21 C196 117.8(6) . . ?
C196 N21 Dy4 121.4(5) . . ?
N22 C201 H201 119.5 . . ?
N22 C201 C200 121.0(7) . . ?
C200 C201 H201 119.5 . . ?
N21 C200 C201 115.3(6) . . ?
N21 C200 C199 122.9(7) . . ?
C199 C200 C201 121.5(7) . . ?
N2 C55 C54 115.8(6) . . ?
N2 C55 C56 123.1(7) . . ?
C56 C55 C54 120.8(7) . . ?
C144 C143 H143 121.5 . . ?
C142 C143 C144 117.0(7) . . ?
C142 C143 H143 121.5 . . ?
C222 N19 Dy4 120.3(5) . . ?
C222 N19 C181 118.7(6) . . ?
C181 N19 Dy4 120.7(4) . . ?
N3 C54 C55 120.0(6) . . ?
N3 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
N19 C222 H222 119.7 . . ?
N19 C222 C221 120.6(7) . . ?
C221 C222 H222 119.7 . . ?
N3 C47 C40 111.0(5) . . ?
N3 C47 H47 106.8 . . ?
N3 C47 C48 116.9(6) . . ?
C40 C47 H47 106.8 . . ?
C48 C47 C40 108.2(6) . . ?
C48 C47 H47 106.8 . . ?
O1 C4 C3 121.8(7) . . ?
O1 C4 C5 121.0(7) . . ?
C3 C4 C5 117.1(7) . . ?
N20 C195 H195 119.0 . . ?
N20 C195 C196 121.9(7) . . ?
C196 C195 H195 119.0 . . ?
N24 C217 C218 124.3(7) . . ?
N24 C217 C216 115.0(6) . . ?
C218 C217 C216 120.7(7) . . ?
C4 C3 C13 120.3(7) . . ?
C2 C3 C4 120.8(8) . . ?
C2 C3 C13 118.8(7) . . ?
N9 C87 C86 118.6(7) . . ?
N9 C87 H87 120.7 . . ?
C86 C87 H87 120.7 . . ?
N23 C209 H209 107.4 . . ?
N23 C209 C202 111.8(6) . . ?
N23 C209 C210 114.0(6) . . ?
C202 C209 H209 107.4 . . ?
C210 C209 H209 107.4 . . ?
C210 C209 C202 108.5(6) . . ?
N5 C38 C39 114.9(6) . . ?
N5 C38 C37 123.3(7) . . ?
C37 C38 C39 121.8(7) . . ?
N24 C221 C222 114.8(6) . . ?
N24 C221 C220 122.7(7) . . ?
C220 C221 C222 122.0(7) . . ?
N18 C167 H167 108.1 . . ?
N18 C167 C174 106.6(5) . . ?
C168 C167 N18 113.8(5) . . ?
C168 C167 H167 108.1 . . ?
C168 C167 C174 112.0(5) . . ?
C174 C167 H167 108.1 . . ?
C75 C76 H76 118.8 . . ?
C75 C76 C77 122.3(8) . . ?
C77 C76 H76 118.8 . . ?
C225 C224 H224 119.1 . . ?
C223 C224 H224 119.1 . . ?
C223 C224 C225 121.7(8) . . ?
C96 C101 H101 118.6 . . ?
C96 C101 C100 122.7(8) . . ?
C100 C101 H101 118.6 . . ?
C190 C189 C194 116.9(7) . . ?
C190 C189 C188 122.1(7) . . ?
C194 C189 C188 121.0(7) . . ?
C76 C75 C74 120.5(7) . . ?
C76 C75 C80 117.3(7) . . ?
C80 C75 C74 122.1(7) . . ?
N2 C59 C60 115.0(6) . . ?
N2 C59 C58 125.0(7) . . ?
C58 C59 C60 120.0(7) . . ?
N12 C67 H67 107.5 . . ?
N12 C67 C74 106.8(5) . . ?
N12 C67 C68 115.4(6) . . ?
C74 C67 H67 107.5 . . ?
C68 C67 H67 107.5 . . ?
C68 C67 C74 111.8(6) . . ?
N8 C102 C61 119.4(7) . . ?
N8 C102 H102 120.3 . . ?
C61 C102 H102 120.3 . . ?
N22 C202 C209 109.6(5) . . ?
N22 C202 H202 107.0 . . ?
C209 C202 H202 107.0 . . ?
C203 C202 N22 117.0(6) . . ?
C203 C202 C209 108.9(6) . . ?
C203 C202 H202 107.0 . . ?
C154 C159 H159 119.5 . . ?
C154 C159 C158 121.0(8) . . ?
C158 C159 H159 119.5 . . ?
C84 C83 H83 120.6 . . ?
C84 C83 C82 118.8(7) . . ?
C82 C83 H83 120.6 . . ?
C215 C210 C209 118.8(7) . . ?
C211 C210 C209 122.2(7) . . ?
C211 C210 C215 118.9(7) . . ?
C49 C48 C47 120.6(8) . . ?
C49 C48 C53 118.8(8) . . ?
C53 C48 C47 120.6(7) . . ?
N15 C145 C144 120.3(7) . . ?
N15 C145 H145 119.9 . . ?
C144 C145 H145 119.9 . . ?
N5 C34 C35 121.8(7) . . ?
N5 C34 C33 115.1(6) . . ?
C35 C34 C33 122.7(7) . . ?
C165 C164 H164 120.5 . . ?
C163 C164 C165 119.0(7) . . ?
C163 C164 H164 120.5 . . ?
C197 C196 C195 122.1(7) . . ?
N21 C196 C197 122.6(7) . . ?
N21 C196 C195 115.1(6) . . ?
N1 C60 C59 120.8(7) . . ?
N1 C60 H60 119.6 . . ?
C59 C60 H60 119.6 . . ?
C131 C132 H132 119.7 . . ?
C127 C132 H132 119.7 . . ?
C127 C132 C131 120.5(9) . . ?
C315 C314 H314 118.0 . . ?
C315 C314 C313 124.0(9) . . ?
C313 C314 H314 118.0 . . ?
C300 C295 B3 121.8(7) . . ?
C296 C295 C300 114.9(7) . . ?
C296 C295 B3 123.0(7) . . ?
N7 C65 C66 116.0(7) . . ?
N7 C65 C64 123.1(7) . . ?
C64 C65 C66 120.6(7) . . ?
C35 C36 H36 120.2 . . ?
C37 C36 C35 119.7(7) . . ?
C37 C36 H36 120.2 . . ?
C101 C96 C97 118.3(7) . . ?
C101 C96 C95 122.1(7) . . ?
C97 C96 C95 119.5(7) . . ?
C104 C105 H105 118.6 . . ?
C106 C105 H105 118.6 . . ?
C106 C105 C104 122.9(8) . . ?
N12 C66 C65 119.3(7) . . ?
N12 C66 H66 120.4 . . ?
C65 C66 H66 120.4 . . ?
N18 C166 C165 119.4(7) . . ?
N18 C166 H166 120.3 . . ?
C165 C166 H166 120.3 . . ?
C4 C5 C7 120.8(7) . . ?
C6 C5 C4 120.2(8) . . ?
C6 C5 C7 119.0(8) . . ?
N11 C74 C75 114.1(6) . . ?
N11 C74 C67 106.6(5) . . ?
N11 C74 H74 108.3 . . ?
C75 C74 C67 111.1(6) . . ?
C75 C74 H74 108.3 . . ?
C67 C74 H74 108.3 . . ?
C86 C85 C84 117.6(7) . . ?
C86 C85 H85 121.2 . . ?
C84 C85 H85 121.2 . . ?
C38 C37 H37 120.9 . . ?
C36 C37 C38 118.2(7) . . ?
C36 C37 H37 120.9 . . ?
C288 C287 H287 119.5 . . ?
C286 C287 H287 119.5 . . ?
C286 C287 C288 121.0(8) . . ?
N6 C26 H26 106.3 . . ?
N6 C26 C27 117.6(6) . . ?
N6 C26 C19 110.7(6) . . ?
C27 C26 H26 106.3 . . ?
C27 C26 C19 109.0(6) . . ?
C19 C26 H26 106.3 . . ?
N16 C153 H153 106.1 . . ?
N16 C153 C154 118.1(6) . . ?
N16 C153 C146 107.5(6) . . ?
C154 C153 H153 106.1 . . ?
C154 C153 C146 112.2(6) . . ?
C146 C153 H153 106.1 . . ?
C32 C27 C26 121.3(8) . . ?
C28 C27 C26 120.7(9) . . ?
C28 C27 C32 117.8(9) . . ?
N10 C82 C81 114.1(6) . . ?
N10 C82 C83 124.2(7) . . ?
C83 C82 C81 121.6(7) . . ?
C124 C125 C127 121.8(7) . . ?
C126 C125 C124 118.2(7) . . ?
C126 C125 C127 120.0(7) . . ?
C217 C218 H218 121.1 . . ?
C219 C218 C217 117.7(7) . . ?
C219 C218 H218 121.1 . . ?
C299 C298 H298 120.7 . . ?
C297 C298 H298 120.7 . . ?
C297 C298 C299 118.6(8) . . ?
C159 C154 C153 120.3(7) . . ?
C155 C154 C159 119.3(8) . . ?
C155 C154 C153 120.3(7) . . ?
C105 C104 C109 122.0(7) . . ?
C105 C104 C103 118.0(7) . . ?
C103 C104 C109 119.9(7) . . ?
C143 C142 H142 119.8 . . ?
C141 C142 C143 120.4(7) . . ?
C141 C142 H142 119.8 . . ?
C64 C63 H63 120.8 . . ?
C64 C63 C62 118.5(8) . . ?
C62 C63 H63 120.8 . . ?
C129 C128 H128 120.4 . . ?
C129 C128 C127 119.1(9) . . ?
C127 C128 H128 120.4 . . ?
C20 C21 H21 119.2 . . ?
C20 C21 C22 121.6(9) . . ?
C22 C21 H21 119.2 . . ?
C128 C129 H129 119.4 . . ?
C130 C129 C128 121.1(10) . . ?
C130 C129 H129 119.4 . . ?
C173 C168 C167 119.4(7) . . ?
C173 C168 C169 119.9(7) . . ?
C169 C168 C167 120.7(6) . . ?
C295 C300 H300 118.1 . . ?
C299 C300 C295 123.9(8) . . ?
C299 C300 H300 118.1 . . ?
C200 C199 H199 120.7 . . ?
C198 C199 C200 118.7(7) . . ?
C198 C199 H199 120.7 . . ?
C276 C271 B2 123.6(7) . . ?
C272 C271 C276 113.6(7) . . ?
C272 C271 B2 122.7(7) . . ?
C271 C276 H276 118.7 . . ?
C275 C276 C271 122.5(8) . . ?
C275 C276 H276 118.7 . . ?
N17 C161 C160 116.2(6) . . ?
N17 C161 C162 122.9(7) . . ?
C162 C161 C160 120.8(7) . . ?
C173 C172 H172 120.4 . . ?
C171 C172 H172 120.4 . . ?
C171 C172 C173 119.3(7) . . ?
N14 C140 C139 115.0(6) . . ?
N14 C140 C141 124.1(7) . . ?
C141 C140 C139 120.6(7) . . ?
C271 C272 H272 118.1 . . ?
C273 C272 C271 123.8(8) . . ?
C273 C272 H272 118.1 . . ?
N15 C146 C153 107.7(6) . . ?
N15 C146 H146 108.0 . . ?
N15 C146 C147 113.7(6) . . ?
C153 C146 H146 108.0 . . ?
C147 C146 C153 111.4(6) . . ?
C147 C146 H146 108.0 . . ?
C307 C308 H308 118.9 . . ?
C307 C308 C309 122.1(9) . . ?
C309 C308 H308 118.9 . . ?
C168 C173 C172 120.3(7) . . ?
C168 C173 H173 119.8 . . ?
C172 C173 H173 119.8 . . ?
N16 C160 C161 120.1(6) . . ?
N16 C160 H160 120.0 . . ?
C161 C160 H160 120.0 . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C15 C14 C13 120.4(9) . . ?
N23 C216 C217 120.6(7) . . ?
N23 C216 H216 119.7 . . ?
C217 C216 H216 119.7 . . ?
C116 C115 C108 122.2(7) . . ?
C116 C115 C120 117.8(8) . . ?
C120 C115 C108 119.9(7) . . ?
C314 C315 H315 119.7 . . ?
C316 C315 C314 120.7(9) . . ?
C316 C315 H315 119.7 . . ?
C290 C291 H291 119.6 . . ?
C292 C291 H291 119.6 . . ?
C292 C291 C290 120.9(8) . . ?
C229 C230 H230 121.5 . . ?
C229 C230 C231 116.9(9) . . ?
C231 C230 H230 121.5 . . ?
C204 C203 C202 123.2(7) . . ?
C204 C203 C208 116.1(8) . . ?
C208 C203 C202 120.5(8) . . ?
C14 C13 C3 119.3(8) . . ?
C18 C13 C3 120.6(8) . . ?
C18 C13 C14 119.8(8) . . ?
C197 C198 C199 118.2(7) . . ?
C197 C198 H198 120.9 . . ?
C199 C198 H198 120.9 . . ?
C164 C163 H163 120.7 . . ?
C162 C163 C164 118.6(7) . . ?
C162 C163 H163 120.7 . . ?
C308 C307 B3 123.1(7) . . ?
C312 C307 C308 114.0(7) . . ?
C312 C307 B3 122.8(7) . . ?
C5 C6 H6 119.4 . . ?
C1 C6 C5 121.2(9) . . ?
C1 C6 H6 119.4 . . ?
C176 C175 C174 118.5(7) . . ?
C180 C175 C174 121.9(7) . . ?
C180 C175 C176 119.3(7) . . ?
C291 C290 H290 119.1 . . ?
C291 C290 C289 121.8(8) . . ?
C289 C290 H290 119.1 . . ?
C147 C152 H152 119.4 . . ?
C151 C152 H152 119.4 . . ?
C151 C152 C147 121.1(8) . . ?
C226 C225 C229 121.1(7) . . ?
C224 C225 C226 120.8(7) . . ?
C224 C225 C229 118.0(8) . . ?
C75 C80 H80 119.0 . . ?
C75 C80 C79 122.0(7) . . ?
C79 C80 H80 119.0 . . ?
N13 C139 C140 119.9(7) . . ?
N13 C139 H139 120.0 . . ?
C140 C139 H139 120.0 . . ?
C315 C316 H316 121.1 . . ?
C315 C316 C317 117.8(9) . . ?
C317 C316 H316 121.1 . . ?
C96 C97 H97 120.2 . . ?
C96 C97 C98 119.6(8) . . ?
C98 C97 H97 120.2 . . ?
C21 C20 C19 120.0(7) . . ?
C25 C20 C21 118.9(7) . . ?
C25 C20 C19 121.1(7) . . ?
C323 C322 H322 120.2 . . ?
C323 C322 C321 119.6(9) . . ?
C321 C322 H322 120.2 . . ?
C115 C116 H116 119.3 . . ?
C115 C116 C117 121.4(9) . . ?
C117 C116 H116 119.3 . . ?
C221 C220 H220 120.3 . . ?
C219 C220 C221 119.4(7) . . ?
C219 C220 H220 120.3 . . ?
C133 C138 H138 118.2 . . ?
C137 C138 C133 123.7(8) . . ?
C137 C138 H138 118.2 . . ?
C152 C147 C146 120.0(7) . . ?
C148 C147 C146 121.6(7) . . ?
C148 C147 C152 118.3(7) . . ?
C324 C319 C320 114.1(8) . . ?
C324 C319 B4 124.3(8) . . ?
C320 C319 B4 121.1(9) . . ?
C298 C299 H299 120.4 . . ?
C300 C299 C298 119.2(8) . . ?
C300 C299 H299 120.4 . . ?
C240 C235 C227 120.0(7) . . ?
C236 C235 C227 122.0(7) . . ?
C236 C235 C240 117.9(8) . . ?
C210 C215 H215 119.9 . . ?
C214 C215 C210 120.3(8) . . ?
C214 C215 H215 119.9 . . ?
N27 C341 C342 178.9(12) . . ?
C283 C284 H284 118.8 . . ?
C285 C284 H284 118.8 . . ?
C285 C284 C283 122.4(8) . . ?
C132 C131 H131 119.9 . . ?
C130 C131 C132 120.2(10) . . ?
C130 C131 H131 119.9 . . ?
C70 C69 H69 119.4 . . ?
C68 C69 H69 119.4 . . ?
C68 C69 C70 121.1(8) . . ?
C103 C108 C115 121.4(7) . . ?
C107 C108 C115 121.0(7) . . ?
C107 C108 C103 117.6(8) . . ?
N13 C174 C167 107.8(5) . . ?
N13 C174 C175 115.0(6) . . ?
N13 C174 H174 107.2 . . ?
C167 C174 H174 107.2 . . ?
C175 C174 C167 112.2(6) . . ?
C175 C174 H174 107.2 . . ?
C168 C169 H169 120.5 . . ?
C168 C169 C170 119.1(8) . . ?
C170 C169 H169 120.5 . . ?
C313 C318 H318 118.3 . . ?
C317 C318 H318 118.3 . . ?
C317 C318 C313 123.4(8) . . ?
C203 C204 H204 118.2 . . ?
C203 C204 C205 123.6(9) . . ?
C205 C204 H204 118.2 . . ?
C290 C289 C294 115.8(7) . . ?
C290 C289 B3 120.5(7) . . ?
C294 C289 B3 123.7(7) . . ?
C133 C134 H134 118.9 . . ?
C135 C134 C133 122.2(9) . . ?
C135 C134 H134 118.9 . . ?
N19 C181 H181 106.5 . . ?
N19 C181 C182 116.7(6) . . ?
N19 C181 C188 110.4(6) . . ?
C182 C181 H181 106.5 . . ?
C182 C181 C188 109.5(6) . . ?
C188 C181 H181 106.5 . . ?
C287 C288 H288 119.1 . . ?
C287 C288 C283 121.8(8) . . ?
C283 C288 H288 119.1 . . ?
C273 C274 H274 121.1 . . ?
C273 C274 C275 117.9(8) . . ?
C275 C274 H274 121.1 . . ?
C17 C16 H16 120.5 . . ?
C17 C16 C15 119.1(9) . . ?
C15 C16 H16 120.5 . . ?
C189 C190 H190 119.1 . . ?
C189 C190 C191 121.8(9) . . ?
C191 C190 H190 119.1 . . ?
C122 C121 H121 120.0 . . ?
C126 C121 H121 120.0 . . ?
C126 C121 C122 120.0(8) . . ?
N26 C339 C340 179.1(13) . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.5(9) . . ?
C18 C17 H17 120.3 . . ?
C110 C109 C104 120.1(8) . . ?
C110 C109 C114 119.9(8) . . ?
C114 C109 C104 119.9(8) . . ?
C246 C241 B1 124.5(8) . . ?
C246 C241 C242 114.1(9) . . ?
C242 C241 B1 121.4(9) . . ?
C77 C78 H78 119.9 . . ?
C77 C78 C79 120.3(8) . . ?
C79 C78 H78 119.9 . . ?
C3 C2 H2 119.2 . . ?
C3 C2 C1 121.5(8) . . ?
C1 C2 H2 119.2 . . ?
C55 C56 H56 120.4 . . ?
C57 C56 C55 119.2(7) . . ?
C57 C56 H56 120.4 . . ?
N1 C19 C26 110.2(5) . . ?
N1 C19 H19 107.9 . . ?
C26 C19 H19 107.9 . . ?
C20 C19 N1 113.3(6) . . ?
C20 C19 C26 109.5(6) . . ?
C20 C19 H19 107.9 . . ?
C142 C141 C140 118.1(7) . . ?
C142 C141 H141 120.9 . . ?
C140 C141 H141 120.9 . . ?
C159 C158 H158 119.8 . . ?
C157 C158 C159 120.4(8) . . ?
C157 C158 H158 119.8 . . ?
C295 C296 H296 119.2 . . ?
C297 C296 C295 121.7(8) . . ?
C297 C296 H296 119.2 . . ?
C272 C273 H273 119.6 . . ?
C274 C273 C272 120.9(8) . . ?
C274 C273 H273 119.6 . . ?
C138 C137 H137 120.1 . . ?
C138 C137 C136 119.8(9) . . ?
C136 C137 H137 120.1 . . ?
O4 C103 C104 119.6(7) . . ?
O4 C103 C108 120.4(7) . . ?
C104 C103 C108 120.0(7) . . ?
C59 C58 H58 121.9 . . ?
C59 C58 C57 116.1(7) . . ?
C57 C58 H58 121.9 . . ?
C20 C25 H25 119.8 . . ?
C20 C25 C24 120.3(9) . . ?
C24 C25 H25 119.8 . . ?
C12 C7 C5 120.3(8) . . ?
C12 C7 C8 118.3(9) . . ?
C8 C7 C5 121.2(8) . . ?
C56 C57 C58 120.1(7) . . ?
C56 C57 H57 119.9 . . ?
C58 C57 H57 119.9 . . ?
C322 C323 H323 119.9 . . ?
C322 C323 C324 120.2(9) . . ?
C324 C323 H323 119.9 . . ?
N8 C95 C96 112.5(6) . . ?
N8 C95 H95 108.1 . . ?
N8 C95 C88 107.8(6) . . ?
C96 C95 H95 108.1 . . ?
C96 C95 C88 112.0(6) . . ?
C88 C95 H95 108.1 . . ?
C224 C223 H223 120.7 . . ?
C224 C223 C228 118.7(8) . . ?
C228 C223 H223 120.7 . . ?
C91 C90 H90 119.2 . . ?
C91 C90 C89 121.5(8) . . ?
C89 C90 H90 119.2 . . ?
O5 C124 C123 120.8(7) . . ?
O5 C124 C125 120.5(7) . . ?
C123 C124 C125 118.6(7) . . ?
C307 C312 H312 117.5 . . ?
C311 C312 C307 125.1(9) . . ?
C311 C312 H312 117.5 . . ?
C65 C64 H64 121.0 . . ?
C63 C64 C65 118.0(7) . . ?
C63 C64 H64 121.0 . . ?
C6 C1 C2 119.0(8) . . ?
C6 C1 H1 120.5 . . ?
C2 C1 H1 120.5 . . ?
C123 C122 H122 119.6 . . ?
C121 C122 C123 120.8(8) . . ?
C121 C122 H122 119.6 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 119.9(11) . . ?
C50 C49 H49 120.0 . . ?
C42 C41 C40 120.1(8) . . ?
C46 C41 C40 122.4(9) . . ?
C46 C41 C42 117.5(9) . . ?
C235 C240 H240 119.0 . . ?
C239 C240 C235 122.0(9) . . ?
C239 C240 H240 119.0 . . ?
C277 C282 H282 119.2 . . ?
C277 C282 C281 121.6(9) . . ?
C281 C282 H282 119.2 . . ?
C90 C91 H91 120.7 . . ?
C90 C91 C92 118.5(8) . . ?
C92 C91 H91 120.7 . . ?
C227 C228 C223 119.0(8) . . ?
C227 C228 H228 120.5 . . ?
C223 C228 H228 120.5 . . ?
C314 C313 C318 112.9(7) . . ?
C314 C313 B4 124.5(8) . . ?
C318 C313 B4 122.6(7) . . ?
C41 C42 H42 119.2 . . ?
C43 C42 C41 121.6(11) . . ?
C43 C42 H42 119.2 . . ?
C172 C171 H171 119.4 . . ?
C170 C171 C172 121.3(8) . . ?
C170 C171 H171 119.4 . . ?
C147 C148 H148 119.4 . . ?
C147 C148 C149 121.1(8) . . ?
C149 C148 H148 119.4 . . ?
C312 C311 H311 120.5 . . ?
C312 C311 C310 119.0(9) . . ?
C310 C311 H311 120.5 . . ?
C249 C248 H248 118.8 . . ?
C249 C248 C247 122.3(10) . . ?
C247 C248 H248 118.8 . . ?
C49 C50 H50 119.9 . . ?
C51 C50 C49 120.3(12) . . ?
C51 C50 H50 119.9 . . ?
C301 C306 H306 118.6 . . ?
C305 C306 H306 118.6 . . ?
C305 C306 C301 122.8(8) . . ?
C319 C324 H324 118.8 . . ?
C323 C324 C319 122.5(9) . . ?
C323 C324 H324 118.8 . . ?
C108 C107 H107 118.9 . . ?
C108 C107 C106 122.3(8) . . ?
C106 C107 H107 118.9 . . ?
C115 C120 H120 120.3 . . ?
C119 C120 C115 119.3(9) . . ?
C119 C120 H120 120.3 . . ?
C113 C112 H112 120.2 . . ?
C113 C112 C111 119.5(9) . . ?
C111 C112 H112 120.2 . . ?
C284 C283 C288 115.4(7) . . ?
C284 C283 B2 122.5(7) . . ?
C288 C283 B2 121.8(7) . . ?
C154 C155 H155 119.9 . . ?
C154 C155 C156 120.2(9) . . ?
C156 C155 H155 119.9 . . ?
C179 C178 H178 120.7 . . ?
C177 C178 H178 120.7 . . ?
C177 C178 C179 118.7(9) . . ?
C109 C110 H110 120.3 . . ?
C109 C110 C111 119.4(9) . . ?
C111 C110 H110 120.3 . . ?
C178 C179 H179 120.2 . . ?
C178 C179 C180 119.6(9) . . ?
C180 C179 H179 120.2 . . ?
C235 C236 H236 120.5 . . ?
C235 C236 C237 119.1(9) . . ?
C237 C236 H236 120.5 . . ?
C112 C113 H113 120.0 . . ?
C112 C113 C114 120.0(9) . . ?
C114 C113 H113 120.0 . . ?
C21 C22 H22 120.3 . . ?
C23 C22 C21 119.3(9) . . ?
C23 C22 H22 120.3 . . ?
C210 C211 H211 120.3 . . ?
C210 C211 C212 119.4(9) . . ?
C212 C211 H211 120.3 . . ?
C182 C183 H183 120.9 . . ?
C182 C183 C184 118.3(11) . . ?
C184 C183 H183 120.9 . . ?
C230 C229 C225 118.1(8) . . ?
C234 C229 C230 121.2(9) . . ?
C234 C229 C225 120.5(9) . . ?
C175 C176 H176 121.2 . . ?
C177 C176 C175 117.6(9) . . ?
C177 C176 H176 121.2 . . ?
C333 C334 H334 120.7 . . ?
C335 C334 H334 120.7 . . ?
C335 C334 C333 118.6(9) . . ?
C169 C170 H170 119.9 . . ?
C171 C170 C169 120.2(8) . . ?
C171 C170 H170 119.9 . . ?
C282 C277 C278 115.2(8) . . ?
C282 C277 B2 122.8(8) . . ?
C278 C277 B2 121.7(7) . . ?
C330 C325 B4 121.0(7) . . ?
C326 C325 C330 115.5(8) . . ?
C326 C325 B4 123.4(8) . . ?
C218 C219 H219 120.3 . . ?
C220 C219 C218 119.5(7) . . ?
C220 C219 H219 120.3 . . ?
C13 C18 C17 120.0(9) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C291 C292 H292 120.5 . . ?
C291 C292 C293 119.0(8) . . ?
C293 C292 H292 120.5 . . ?
C72 C73 H73 119.4 . . ?
C72 C73 C68 121.2(9) . . ?
C68 C73 H73 119.4 . . ?
C260 C259 C264 114.5(9) . . ?
C260 C259 B1 122.2(9) . . ?
C264 C259 B1 123.3(8) . . ?
C204 C205 H205 121.2 . . ?
C206 C205 C204 117.6(11) . . ?
C206 C205 H205 121.2 . . ?
C189 C194 H194 119.6 . . ?
C193 C194 C189 120.7(9) . . ?
C193 C194 H194 119.6 . . ?
C276 C275 C274 121.2(7) . . ?
C276 C275 H275 119.4 . . ?
C274 C275 H275 119.4 . . ?
N9 C88 C95 107.7(6) . . ?
N9 C88 H88 106.6 . . ?
N9 C88 C89 116.8(6) . . ?
C95 C88 H88 106.6 . . ?
C89 C88 C95 111.8(6) . . ?
C89 C88 H88 106.6 . . ?
C215 C214 H214 120.0 . . ?
C213 C214 C215 120.0(9) . . ?
C213 C214 H214 120.0 . . ?
C105 C106 C107 118.9(8) . . ?
C105 C106 H106 120.6 . . ?
C107 C106 H106 120.6 . . ?
C7 C12 H12 119.5 . . ?
C7 C12 C11 121.0(11) . . ?
C11 C12 H12 119.5 . . ?
C319 C320 H320 118.7 . . ?
C321 C320 C319 122.5(10) . . ?
C321 C320 H320 118.7 . . ?
C334 C333 H333 119.4 . . ?
C334 C333 C332 121.3(9) . . ?
C332 C333 H333 119.4 . . ?
C211 C212 H212 120.2 . . ?
C213 C212 C211 119.7(9) . . ?
C213 C212 H212 120.2 . . ?
C328 C327 H327 119.7 . . ?
C326 C327 H327 119.7 . . ?
C326 C327 C328 120.7(9) . . ?
C248 C249 H249 120.1 . . ?
C250 C249 C248 119.8(11) . . ?
C250 C249 H249 120.1 . . ?
C289 C294 H294 119.2 . . ?
C293 C294 C289 121.5(7) . . ?
C293 C294 H294 119.2 . . ?
C266 C265 C270 115.3(7) . . ?
C266 C265 B2 120.0(7) . . ?
C270 C265 B2 124.7(7) . . ?
C240 C239 H239 120.2 . . ?
C238 C239 C240 119.6(9) . . ?
C238 C239 H239 120.2 . . ?
C69 C70 H70 120.4 . . ?
C71 C70 C69 119.3(9) . . ?
C71 C70 H70 120.4 . . ?
C129 C130 C131 120.5(10) . . ?
C129 C130 H130 119.7 . . ?
C131 C130 H130 119.7 . . ?
C109 C114 H114 119.4 . . ?
C113 C114 C109 121.2(8) . . ?
C113 C114 H114 119.4 . . ?
C292 C293 C294 120.9(8) . . ?
C292 C293 H293 119.6 . . ?
C294 C293 H293 119.6 . . ?
C306 C301 B3 125.9(7) . . ?
C302 C301 C306 114.2(7) . . ?
C302 C301 B3 119.9(7) . . ?
C116 C117 H117 119.7 . . ?
C118 C117 C116 120.6(9) . . ?
C118 C117 H117 119.7 . . ?
C112 C111 C110 119.7(9) . . ?
C112 C111 H111 120.1 . . ?
C110 C111 H111 120.1 . . ?
C161 C162 H162 120.2 . . ?
C163 C162 C161 119.6(7) . . ?
C163 C162 H162 120.2 . . ?
C183 C182 C181 120.7(8) . . ?
C187 C182 C181 119.8(9) . . ?
C187 C182 C183 119.5(9) . . ?
C203 C208 H208 118.6 . . ?
C207 C208 C203 122.9(10) . . ?
C207 C208 H208 118.6 . . ?
C137 C136 H136 121.1 . . ?
C135 C136 C137 117.8(9) . . ?
C135 C136 H136 121.1 . . ?
C295 B3 C307 108.7(7) . . ?
C295 B3 C289 109.4(7) . . ?
C295 B3 C301 109.5(7) . . ?
C289 B3 C307 109.3(7) . . ?
C289 B3 C301 110.1(7) . . ?
C301 B3 C307 109.8(7) . . ?
C27 C32 H32 119.0 . . ?
C27 C32 C31 122.1(11) . . ?
C31 C32 H32 119.0 . . ?
C48 C53 H53 119.7 . . ?
C48 C53 C52 120.6(10) . . ?
C52 C53 H53 119.7 . . ?
C50 C51 H51 119.7 . . ?
C52 C51 C50 120.7(11) . . ?
C52 C51 H51 119.7 . . ?
C301 C302 H302 118.3 . . ?
C303 C302 C301 123.3(9) . . ?
C303 C302 H302 118.3 . . ?
C236 C237 H237 119.3 . . ?
C238 C237 C236 121.4(9) . . ?
C238 C237 H237 119.3 . . ?
C308 C309 H309 119.9 . . ?
C310 C309 C308 120.1(9) . . ?
C310 C309 H309 120.0 . . ?
C208 C207 H207 120.9 . . ?
C208 C207 C206 118.2(10) . . ?
C206 C207 H207 120.9 . . ?
C7 C8 H8 118.5 . . ?
C9 C8 C7 123.0(11) . . ?
C9 C8 H8 118.5 . . ?
C282 C281 H281 119.1 . . ?
C280 C281 C282 121.9(9) . . ?
C280 C281 H281 119.1 . . ?
C281 C280 H280 121.4 . . ?
C281 C280 C279 117.2(9) . . ?
C279 C280 H280 121.4 . . ?
C327 C328 H328 121.1 . . ?
C329 C328 C327 117.8(9) . . ?
C329 C328 H328 121.1 . . ?
C41 C46 H46 118.5 . . ?
C41 C46 C45 123.0(12) . . ?
C45 C46 H46 118.5 . . ?
C298 C297 C296 121.7(9) . . ?
C298 C297 H297 119.2 . . ?
C296 C297 H297 119.2 . . ?
C239 C238 C237 120.0(9) . . ?
C239 C238 H238 120.0 . . ?
C237 C238 H238 120.0 . . ?
C101 C100 H100 121.0 . . ?
C99 C100 C101 117.9(9) . . ?
C99 C100 H100 121.0 . . ?
C229 C234 H234 119.4 . . ?
C229 C234 C233 121.3(11) . . ?
C233 C234 H234 119.4 . . ?
C339 C340 H34D 109.5 . . ?
C339 C340 H34E 109.5 . . ?
C339 C340 H34F 109.5 . . ?
H34D C340 H34E 109.5 . . ?
H34D C340 H34F 109.5 . . ?
H34E C340 H34F 109.5 . . ?
C277 C278 H278 119.3 . . ?
C279 C278 C277 121.4(9) . . ?
C279 C278 H278 119.3 . . ?
C241 C246 H246 118.7 . . ?
C245 C246 C241 122.5(9) . . ?
C245 C246 H246 118.7 . . ?
C27 C28 H28 119.0 . . ?
C29 C28 C27 122.0(13) . . ?
C29 C28 H28 119.0 . . ?
C331 C336 H336 119.1 . . ?
C335 C336 H336 119.1 . . ?
C335 C336 C331 121.8(10) . . ?
C341 C342 H34A 109.5 . . ?
C341 C342 H34B 109.5 . . ?
C341 C342 H34C 109.5 . . ?
H34A C342 H34B 109.5 . . ?
H34A C342 H34C 109.5 . . ?
H34B C342 H34C 109.5 . . ?
C148 C149 H149 119.8 . . ?
C148 C149 C150 120.5(8) . . ?
C150 C149 H149 119.8 . . ?
C76 C77 H77 120.3 . . ?
C78 C77 C76 119.5(8) . . ?
C78 C77 H77 120.3 . . ?
C230 C231 H231 118.2 . . ?
C232 C231 C230 123.6(11) . . ?
C232 C231 H231 118.2 . . ?
C306 C305 H305 119.3 . . ?
C306 C305 C304 121.4(8) . . ?
C304 C305 H305 119.3 . . ?
C120 C119 H119 118.6 . . ?
C120 C119 C118 122.7(10) . . ?
C118 C119 H119 118.6 . . ?
C117 C118 C119 118.2(9) . . ?
C117 C118 H118 120.9 . . ?
C119 C118 H118 120.9 . . ?
C311 C310 C309 119.6(9) . . ?
C311 C310 H310 120.2 . . ?
C309 C310 H310 120.2 . . ?
C205 C206 C207 121.5(11) . . ?
C205 C206 H206 119.3 . . ?
C207 C206 H206 119.3 . . ?
C25 C24 H24 119.9 . . ?
C23 C24 C25 120.2(9) . . ?
C23 C24 H24 119.9 . . ?
C244 C243 H243 119.2 . . ?
C244 C243 C242 121.6(10) . . ?
C242 C243 H243 119.2 . . ?
C248 C247 B1 121.3(9) . . ?
C248 C247 C252 115.7(8) . . ?
C252 C247 B1 122.7(9) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 C12 119.5(11) . . ?
C10 C11 H11 120.3 . . ?
C243 C244 H244 120.9 . . ?
C245 C244 C243 118.3(10) . . ?
C245 C244 H244 120.9 . . ?
C280 C279 H279 118.6 . . ?
C278 C279 C280 122.7(10) . . ?
C278 C279 H279 118.6 . . ?
C268 C269 H269 119.8 . . ?
C268 C269 C270 120.5(8) . . ?
C270 C269 H269 119.8 . . ?
C254 C253 B1 123.8(9) . . ?
C254 C253 C258 115.6(9) . . ?
C258 C253 B1 120.4(8) . . ?
C325 C330 H330 119.0 . . ?
C329 C330 C325 121.9(8) . . ?
C329 C330 H330 119.0 . . ?
C333 C332 H332 119.3 . . ?
C333 C332 C331 121.4(9) . . ?
C331 C332 H332 119.3 . . ?
C194 C193 H193 119.5 . . ?
C192 C193 C194 121.0(10) . . ?
C192 C193 H193 119.5 . . ?
C70 C71 H71 119.6 . . ?
C72 C71 C70 120.7(9) . . ?
C72 C71 H71 119.6 . . ?
C265 C266 H266 118.8 . . ?
C267 C266 C265 122.3(8) . . ?
C267 C266 H266 118.8 . . ?
C91 C92 H92 119.7 . . ?
C93 C92 C91 120.7(9) . . ?
C93 C92 H92 119.7 . . ?
C22 C23 C24 119.7(8) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C42 C43 H43 120.8 . . ?
C42 C43 C44 118.3(12) . . ?
C44 C43 H43 120.8 . . ?
C259 C260 H260 119.1 . . ?
C259 C260 C261 121.9(10) . . ?
C261 C260 H260 119.1 . . ?
C302 C303 H303 119.7 . . ?
C302 C303 C304 120.6(9) . . ?
C304 C303 H303 119.7 . . ?
C53 C52 H52 120.2 . . ?
C51 C52 C53 119.6(11) . . ?
C51 C52 H52 120.2 . . ?
C152 C151 H151 119.7 . . ?
C152 C151 C150 120.7(8) . . ?
C150 C151 H151 119.7 . . ?
C269 C268 H268 119.8 . . ?
C269 C268 C267 120.4(9) . . ?
C267 C268 H268 119.8 . . ?
C11 C10 H10 120.2 . . ?
C11 C10 C9 119.7(11) . . ?
C9 C10 H10 120.2 . . ?
C266 C267 H267 120.0 . . ?
C268 C267 C266 120.0(9) . . ?
C268 C267 H267 120.0 . . ?
C246 C245 H245 119.1 . . ?
C244 C245 C246 121.8(10) . . ?
C244 C245 H245 119.1 . . ?
C8 C9 C10 118.3(12) . . ?
C8 C9 H9 120.8 . . ?
C10 C9 H9 120.8 . . ?
C305 C304 H304 121.2 . . ?
C303 C304 C305 117.6(8) . . ?
C303 C304 H304 121.2 . . ?
C260 C261 H261 119.4 . . ?
C262 C261 C260 121.2(11) . . ?
C262 C261 H261 119.4 . . ?
C32 C31 H31 122.3 . . ?
C30 C31 C32 115.5(12) . . ?
C30 C31 H31 122.3 . . ?
C190 C191 H191 120.8 . . ?
C192 C191 C190 118.4(9) . . ?
C192 C191 H191 120.8 . . ?
C264 C263 H263 120.0 . . ?
C262 C263 H263 120.0 . . ?
C262 C263 C264 120.1(11) . . ?
C319 B4 C313 107.4(7) . . ?
C325 B4 C319 107.2(7) . . ?
C325 B4 C313 111.3(8) . . ?
C325 B4 C331 110.2(7) . . ?
C331 B4 C319 111.0(8) . . ?
C331 B4 C313 109.7(7) . . ?
C231 C232 H232 120.5 . . ?
C231 C232 C233 118.9(10) . . ?
C233 C232 H232 120.5 . . ?
C259 C264 H264 117.9 . . ?
C263 C264 C259 124.1(10) . . ?
C263 C264 H264 117.9 . . ?
C89 C94 H94 119.3 . . ?
C89 C94 C93 121.4(9) . . ?
C93 C94 H94 119.3 . . ?
C178 C177 C176 123.1(9) . . ?
C178 C177 H177 118.4 . . ?
C176 C177 H177 118.4 . . ?
C328 C329 C330 121.7(9) . . ?
C328 C329 H329 119.1 . . ?
C330 C329 H329 119.1 . . ?
C155 C156 H156 120.0 . . ?
C157 C156 C155 120.0(9) . . ?
C157 C156 H156 120.0 . . ?
C46 C45 H45 120.9 . . ?
C44 C45 C46 118.2(13) . . ?
C44 C45 H45 120.9 . . ?
C73 C72 H72 120.1 . . ?
C71 C72 C73 119.8(9) . . ?
C71 C72 H72 120.1 . . ?
C100 C99 H99 119.5 . . ?
C100 C99 C98 121.1(8) . . ?
C98 C99 H99 119.5 . . ?
C185 C186 H186 119.4 . . ?
C185 C186 C187 121.3(14) . . ?
C187 C186 H186 119.4 . . ?
C43 C44 H44 119.3 . . ?
C45 C44 C43 121.3(11) . . ?
C45 C44 H44 119.3 . . ?
C256 C257 H257 120.1 . . ?
C258 C257 H257 120.1 . . ?
C258 C257 C256 119.7(10) . . ?
C97 C98 H98 119.9 . . ?
C99 C98 C97 120.3(8) . . ?
C99 C98 H98 119.9 . . ?
C257 C256 H256 120.3 . . ?
C255 C256 C257 119.4(10) . . ?
C255 C256 H256 120.3 . . ?
C253 C254 H254 119.1 . . ?
C253 C254 C255 121.9(10) . . ?
C255 C254 H254 119.1 . . ?
C256 C255 C254 119.7(11) . . ?
C256 C255 H255 120.2 . . ?
C254 C255 H255 120.2 . . ?
C186 C185 H185 120.7 . . ?
C184 C185 C186 118.6(12) . . ?
C184 C185 H185 120.7 . . ?
C241 B1 C247 109.0(8) . . ?
C241 B1 C253 109.7(8) . . ?
C259 B1 C241 111.6(8) . . ?
C259 B1 C247 111.3(8) . . ?
C259 B1 C253 109.8(8) . . ?
C253 B1 C247 105.2(7) . . ?
C28 C29 H29 119.9 . . ?
C28 C29 C30 120.2(15) . . ?
C30 C29 H29 119.9 . . ?
C182 C187 C186 119.9(12) . . ?
C182 C187 H187 120.0 . . ?
C186 C187 H187 120.0 . . ?
H33A C338 H33B 109.5 . . ?
H33A C338 H33C 109.5 . . ?
H33B C338 H33C 109.5 . . ?
C337 C338 H33A 109.5 . . ?
C337 C338 H33B 109.5 . . ?
C337 C338 H33C 109.5 . . ?
N25 C337 C338 177(2) . . ?
H34G C344 H34H 109.5 . . ?
H34G C344 H34I 109.5 . . ?
H34H C344 H34I 109.5 . . ?
C343 C344 H34G 109.5 . . ?
C343 C344 H34H 109.5 . . ?
C343 C344 H34I 109.5 . . ?
N20 C188 C189 111.8(6) . . ?
N20 C188 C181 109.8(6) . . ?
N20 C188 H188 108.8 . . ?
C189 C188 C181 108.8(6) . . ?
C189 C188 H188 108.8 . . ?
C181 C188 H188 108.8 . . ?
N6 C33 C34 121.5(7) . . ?
N6 C33 H33 119.3 . . ?
C34 C33 H33 119.3 . . ?
C69 C68 C67 122.0(7) . . ?
C69 C68 C73 117.9(7) . . ?
C73 C68 C67 119.9(7) . . ?
C265 C270 H270 119.3 . . ?
C269 C270 C265 121.3(7) . . ?
C269 C270 H270 119.3 . . ?
C90 C89 C88 121.5(7) . . ?
C94 C89 C90 117.3(7) . . ?
C94 C89 C88 121.2(7) . . ?
C132 C127 C125 121.2(8) . . ?
C132 C127 C128 118.4(8) . . ?
C128 C127 C125 120.3(8) . . ?
C316 C317 H317 119.4 . . ?
C318 C317 C316 121.2(9) . . ?
C318 C317 H317 119.4 . . ?
C125 C126 H126 119.2 . . ?
C121 C126 C125 121.7(8) . . ?
C121 C126 H126 119.2 . . ?
C14 C15 C16 121.2(9) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C149 C150 H150 120.9 . . ?
C151 C150 C149 118.2(8) . . ?
C151 C150 H150 120.9 . . ?
C214 C213 C212 121.6(9) . . ?
C214 C213 H213 119.2 . . ?
C212 C213 H213 119.2 . . ?
C61 C62 C63 119.8(8) . . ?
C61 C62 H62 120.1 . . ?
C63 C62 H62 120.1 . . ?
C271 B2 C277 108.6(6) . . ?
C283 B2 C271 108.9(6) . . ?
C283 B2 C277 110.5(6) . . ?
C283 B2 C265 109.6(6) . . ?
C265 B2 C271 109.8(6) . . ?
C265 B2 C277 109.4(6) . . ?
C325 C326 H326 118.9 . . ?
C327 C326 C325 122.3(9) . . ?
C327 C326 H326 118.9 . . ?
C193 C192 C191 120.9(9) . . ?
C193 C192 H192 119.5 . . ?
C191 C192 H192 119.5 . . ?
C158 C157 C156 119.0(8) . . ?
C158 C157 H157 120.5 . . ?
C156 C157 H157 120.5 . . ?
C183 C184 H184 118.8 . . ?
C185 C184 C183 122.5(13) . . ?
C185 C184 H184 118.8 . . ?
C92 C93 C94 120.6(9) . . ?
C92 C93 H93 119.7 . . ?
C94 C93 H93 119.7 . . ?
C322 C321 H321 119.4 . . ?
C320 C321 C322 121.1(10) . . ?
C320 C321 H321 119.4 . . ?
C31 C30 H30 118.9 . . ?
C29 C30 C31 122.3(13) . . ?
C29 C30 H30 118.9 . . ?
C241 C242 H242 119.2 . . ?
C243 C242 C241 121.6(10) . . ?
C243 C242 H242 119.2 . . ?
C80 C79 C78 118.6(9) . . ?
C80 C79 H79 120.7 . . ?
C78 C79 H79 120.7 . . ?
C336 C331 C332 115.2(8) . . ?
C336 C331 B4 123.2(8) . . ?
C332 C331 B4 121.6(7) . . ?
C249 C250 H250 120.2 . . ?
C251 C250 C249 119.5(10) . . ?
C251 C250 H250 120.2 . . ?
C250 C251 H251 119.3 . . ?
C250 C251 C252 121.5(11) . . ?
C252 C251 H251 119.3 . . ?
C134 C135 C136 121.2(9) . . ?
C134 C135 H135 119.4 . . ?
C136 C135 H135 119.4 . . ?
C247 C252 H252 119.4 . . ?
C251 C252 C247 121.1(10) . . ?
C251 C252 H252 119.4 . . ?
C334 C335 C336 121.5(10) . . ?
C334 C335 H335 119.3 . . ?
C336 C335 H335 119.3 . . ?
C261 C262 H262 120.9 . . ?
C263 C262 C261 118.2(12) . . ?
C263 C262 H262 120.9 . . ?
C234 C233 C232 118.1(11) . . ?
C234 C233 H233 121.0 . . ?
C232 C233 H233 121.0 . . ?
C284 C285 H285 119.6 . . ?
C286 C285 C284 120.7(9) . . ?
C286 C285 H285 119.6 . . ?
C287 C286 C285 118.6(8) . . ?
C287 C286 H286 120.7 . . ?
C285 C286 H286 120.7 . . ?
C175 C180 C179 121.5(8) . . ?
C175 C180 H180 119.3 . . ?
C179 C180 H180 119.3 . . ?
N28 C343 C344 174(2) . . ?
C253 C258 H258 118.2 . . ?
C257 C258 C253 123.5(11) . . ?
C257 C258 H258 118.2 . . ?

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
Dy3 O5 C124 C123 89.7(9) . . . . ?
Dy3 O5 C124 C125 -87.5(9) . . . . ?
Dy3 O6 O7 Dy4 179.4(3) . . . . ?
Dy3 N14 C144 C143 167.0(5) . . . . ?
Dy3 N14 C144 C145 -16.7(9) . . . . ?
Dy3 N14 C140 C139 18.0(8) . . . . ?
Dy3 N14 C140 C141 -168.0(6) . . . . ?
Dy3 N17 C165 C164 165.4(6) . . . . ?
Dy3 N17 C165 C166 -19.4(8) . . . . ?
Dy3 N17 C161 C160 16.7(8) . . . . ?
Dy3 N17 C161 C162 -166.7(5) . . . . ?
Dy3 N18 C167 C168 -150.6(4) . . . . ?
Dy3 N18 C167 C174 -26.7(7) . . . . ?
Dy3 N18 C166 C165 12.3(9) . . . . ?
Dy3 N16 C153 C154 -178.6(5) . . . . ?
Dy3 N16 C153 C146 -50.4(6) . . . . ?
Dy3 N16 C160 C161 -4.8(8) . . . . ?
Dy3 N13 C139 C140 -0.8(9) . . . . ?
Dy3 N13 C174 C167 -53.6(6) . . . . ?
Dy3 N13 C174 C175 -179.5(5) . . . . ?
Dy3 N15 C145 C144 11.8(9) . . . . ?
Dy3 N15 C146 C153 -27.4(8) . . . . ?
Dy3 N15 C146 C147 -151.2(5) . . . . ?
Dy2 N7 C61 C102 -18.1(9) . . . . ?
Dy2 N7 C61 C62 165.3(6) . . . . ?
Dy2 N7 C65 C66 18.5(9) . . . . ?
Dy2 N7 C65 C64 -167.5(6) . . . . ?
Dy2 O4 C103 C104 90.2(9) . . . . ?
Dy2 O4 C103 C108 -88.5(9) . . . . ?
Dy2 O2 O3 Dy1 -179.7(3) . . . . ?
Dy2 N12 C67 C74 -55.0(6) . . . . ?
Dy2 N12 C67 C68 -179.9(4) . . . . ?
Dy2 N12 C66 C65 -2.1(9) . . . . ?
Dy2 N10 C86 C87 18.2(9) . . . . ?
Dy2 N10 C86 C85 -167.2(6) . . . . ?
Dy2 N10 C82 C81 -19.0(8) . . . . ?
Dy2 N10 C82 C83 165.3(6) . . . . ?
Dy2 N8 C102 C61 13.5(9) . . . . ?
Dy2 N8 C95 C96 -151.1(5) . . . . ?
Dy2 N8 C95 C88 -27.2(8) . . . . ?
Dy2 N9 C87 C86 -1.8(10) . . . . ?
Dy2 N9 C88 C95 -52.1(7) . . . . ?
Dy2 N9 C88 C89 -178.8(5) . . . . ?
Dy2 N11 C81 C82 13.6(9) . . . . ?
Dy2 N11 C74 C75 -149.7(5) . . . . ?
Dy2 N11 C74 C67 -26.6(7) . . . . ?
Dy4 O8 C226 C227 86.7(11) . . . . ?
Dy4 O8 C226 C225 -85.6(12) . . . . ?
Dy4 N24 C217 C218 171.0(6) . . . . ?
Dy4 N24 C217 C216 -11.2(8) . . . . ?
Dy4 N24 C221 C222 19.2(8) . . . . ?
Dy4 N24 C221 C220 -169.0(5) . . . . ?
Dy4 O6 O7 Dy3 -179.4(3) . . . . ?
Dy4 N22 C201 C200 -7.7(10) . . . . ?
Dy4 N22 C202 C209 -38.9(7) . . . . ?
Dy4 N22 C202 C203 -163.4(5) . . . . ?
Dy4 N20 C195 C196 6.8(10) . . . . ?
Dy4 N20 C188 C189 -137.2(5) . . . . ?
Dy4 N20 C188 C181 -16.4(7) . . . . ?
Dy4 N23 C209 C202 -18.6(8) . . . . ?
Dy4 N23 C209 C210 -142.1(5) . . . . ?
Dy4 N23 C216 C217 2.4(9) . . . . ?
Dy4 N21 C200 C201 14.4(9) . . . . ?
Dy4 N21 C200 C199 -171.6(5) . . . . ?
Dy4 N21 C196 C197 174.3(5) . . . . ?
Dy4 N21 C196 C195 -11.3(9) . . . . ?
Dy4 N19 C222 C221 -8.6(9) . . . . ?
Dy4 N19 C181 C182 -170.2(5) . . . . ?
Dy4 N19 C181 C188 -44.3(7) . . . . ?
Dy1 O1 C4 C3 90.0(11) . . . . ?
Dy1 O1 C4 C5 -87.5(11) . . . . ?
Dy1 N4 C40 C47 -20.1(8) . . . . ?
Dy1 N4 C40 C41 -143.0(6) . . . . ?
Dy1 N4 C39 C38 2.3(10) . . . . ?
Dy1 O2 O3 Dy2 179.7(3) . . . . ?
Dy1 N1 C60 C59 6.4(10) . . . . ?
Dy1 N1 C19 C26 -14.7(7) . . . . ?
Dy1 N1 C19 C20 -137.9(5) . . . . ?
Dy1 N2 C55 C54 15.2(9) . . . . ?
Dy1 N2 C55 C56 -171.4(6) . . . . ?
Dy1 N2 C59 C60 -9.7(9) . . . . ?
Dy1 N2 C59 C58 172.3(6) . . . . ?
Dy1 N5 C38 C39 -10.0(8) . . . . ?
Dy1 N5 C38 C37 171.8(6) . . . . ?
Dy1 N5 C34 C35 -168.5(5) . . . . ?
Dy1 N5 C34 C33 18.3(8) . . . . ?
Dy1 N3 C54 C55 -10.0(9) . . . . ?
Dy1 N3 C47 C40 -39.4(7) . . . . ?
Dy1 N3 C47 C48 -164.1(5) . . . . ?
Dy1 N6 C26 C27 -168.8(5) . . . . ?
Dy1 N6 C26 C19 -42.6(8) . . . . ?
Dy1 N6 C33 C34 -7.8(10) . . . . ?
O8 C226 C227 C235 13.8(10) . . . . ?
O8 C226 C227 C228 -174.9(7) . . . . ?
O8 C226 C225 C224 174.9(7) . . . . ?
O8 C226 C225 C229 -9.0(11) . . . . ?
N24 C217 C218 C219 -3.2(12) . . . . ?
N24 C217 C216 N23 5.6(11) . . . . ?
N24 C221 C220 C219 -1.0(12) . . . . ?
O1 C4 C3 C13 8.8(12) . . . . ?
O1 C4 C3 C2 -174.5(8) . . . . ?
O1 C4 C5 C6 173.6(7) . . . . ?
O1 C4 C5 C7 -8.6(12) . . . . ?
N7 C61 C102 N8 2.6(11) . . . . ?
N7 C61 C62 C63 1.4(12) . . . . ?
N7 C65 C66 N12 -10.8(11) . . . . ?
N7 C65 C64 C63 2.6(13) . . . . ?
N4 C40 C47 N3 35.4(8) . . . . ?
N4 C40 C47 C48 164.8(6) . . . . ?
N4 C40 C41 C42 54.7(11) . . . . ?
N4 C40 C41 C46 -122.1(9) . . . . ?
N4 C39 C38 N5 5.0(11) . . . . ?
N4 C39 C38 C37 -176.8(7) . . . . ?
N22 C201 C200 N21 -4.5(11) . . . . ?
N22 C201 C200 C199 -178.7(7) . . . . ?
N22 C202 C203 C204 65.3(9) . . . . ?
N22 C202 C203 C208 -119.8(8) . . . . ?
N20 C195 C196 C197 177.2(7) . . . . ?
N20 C195 C196 N21 2.8(11) . . . . ?
N14 C144 C143 C142 0.8(11) . . . . ?
N14 C144 C145 N15 2.6(11) . . . . ?
N14 C140 C139 N13 -11.4(10) . . . . ?
N14 C140 C141 C142 0.8(13) . . . . ?
N12 C67 C74 N11 48.5(7) . . . . ?
N12 C67 C74 C75 173.5(6) . . . . ?
N12 C67 C68 C69 66.4(9) . . . . ?
N12 C67 C68 C73 -107.8(8) . . . . ?
N17 C165 C164 C163 1.9(12) . . . . ?
N17 C165 C166 N18 4.3(10) . . . . ?
N17 C161 C160 N16 -7.5(10) . . . . ?
N17 C161 C162 C163 0.8(11) . . . . ?
N10 C86 C87 N9 -10.4(11) . . . . ?
N10 C86 C85 C84 1.2(13) . . . . ?
N8 C95 C88 N9 47.6(8) . . . . ?
N8 C95 C88 C89 177.2(6) . . . . ?
N23 C209 C202 N22 34.5(8) . . . . ?
N23 C209 C202 C203 163.5(6) . . . . ?
N23 C209 C210 C215 63.6(9) . . . . ?
N23 C209 C210 C211 -116.0(8) . . . . ?
N18 C167 C168 C173 -112.0(7) . . . . ?
N18 C167 C168 C169 66.5(9) . . . . ?
N18 C167 C174 N13 47.9(7) . . . . ?
N18 C167 C174 C175 175.4(6) . . . . ?
N16 C153 C154 C159 64.5(9) . . . . ?
N16 C153 C154 C155 -116.3(8) . . . . ?
N16 C153 C146 N15 46.1(7) . . . . ?
N16 C153 C146 C147 171.3(6) . . . . ?
N9 C88 C89 C90 64.9(9) . . . . ?
N9 C88 C89 C94 -114.5(8) . . . . ?
N2 C55 C54 N3 -3.1(11) . . . . ?
N2 C55 C56 C57 -1.2(12) . . . . ?
N2 C59 C60 N1 2.0(11) . . . . ?
N2 C59 C58 C57 -0.7(12) . . . . ?
N11 C81 C82 N10 3.0(10) . . . . ?
N11 C81 C82 C83 178.8(7) . . . . ?
N15 C146 C147 C152 -111.1(8) . . . . ?
N15 C146 C147 C148 66.4(10) . . . . ?
C86 N10 C82 C81 173.0(6) . . . . ?
C86 N10 C82 C83 -2.8(11) . . . . ?
N5 C38 C37 C36 -3.6(12) . . . . ?
N5 C34 C33 N6 -6.8(11) . . . . ?
N3 C47 C48 C49 -108.3(9) . . . . ?
N3 C47 C48 C53 72.0(9) . . . . ?
N6 C26 C27 C32 63.2(11) . . . . ?
N6 C26 C27 C28 -112.4(9) . . . . ?
N6 C26 C19 N1 34.4(8) . . . . ?
N6 C26 C19 C20 159.7(6) . . . . ?
C165 N17 C161 C160 -175.4(6) . . . . ?
C165 N17 C161 C162 1.1(10) . . . . ?
C165 C164 C163 C162 0.1(11) . . . . ?
C144 N14 C140 C139 -172.3(6) . . . . ?
C144 N14 C140 C141 1.7(11) . . . . ?
C144 C143 C142 C141 1.8(12) . . . . ?
C81 N11 C74 C75 40.6(9) . . . . ?
C81 N11 C74 C67 163.7(6) . . . . ?
C35 C34 C33 N6 -179.9(7) . . . . ?
C35 C36 C37 C38 4.1(12) . . . . ?
C40 N4 C39 C38 172.9(7) . . . . ?
C40 C47 C48 C49 125.6(8) . . . . ?
C40 C47 C48 C53 -54.1(9) . . . . ?
C40 C41 C42 C43 -178.0(8) . . . . ?
C40 C41 C46 C45 177.1(8) . . . . ?
C226 C227 C235 C240 -129.5(8) . . . . ?
C226 C227 C235 C236 53.8(10) . . . . ?
C226 C227 C228 C223 2.7(12) . . . . ?
C226 C225 C229 C230 -47.6(11) . . . . ?
C226 C225 C229 C234 137.0(8) . . . . ?
C227 C226 C225 C224 2.2(11) . . . . ?
C227 C226 C225 C229 178.3(7) . . . . ?
C227 C235 C240 C239 -175.2(7) . . . . ?
C227 C235 C236 C237 175.7(7) . . . . ?
C84 C83 C82 N10 2.8(12) . . . . ?
C84 C83 C82 C81 -172.7(7) . . . . ?
C61 N7 C65 C66 -173.7(7) . . . . ?
C61 N7 C65 C64 0.3(12) . . . . ?
C39 N4 C40 C47 169.7(6) . . . . ?
C39 N4 C40 C41 46.8(10) . . . . ?
C39 C38 C37 C36 178.3(7) . . . . ?
C133 C123 C124 O5 11.0(10) . . . . ?
C133 C123 C124 C125 -171.7(6) . . . . ?
C133 C123 C122 C121 175.0(7) . . . . ?
C133 C138 C137 C136 2.2(13) . . . . ?
C133 C134 C135 C136 1.5(14) . . . . ?
C123 C133 C138 C137 175.7(7) . . . . ?
C123 C133 C134 C135 -177.3(8) . . . . ?
N21 C200 C199 C198 -1.2(12) . . . . ?
C201 N22 C202 C209 144.9(7) . . . . ?
C201 N22 C202 C203 20.4(10) . . . . ?
C201 C200 C199 C198 172.5(7) . . . . ?
C200 N21 C196 C197 1.6(11) . . . . ?
C200 N21 C196 C195 176.0(7) . . . . ?
C200 C199 C198 C197 -1.6(11) . . . . ?
C55 N2 C59 C60 177.1(7) . . . . ?
C55 N2 C59 C58 -0.9(11) . . . . ?
C55 C56 C57 C58 -0.5(13) . . . . ?
C143 C144 C145 N15 178.9(7) . . . . ?
C143 C142 C141 C140 -2.5(13) . . . . ?
N19 C222 C221 N24 -6.8(10) . . . . ?
N19 C222 C221 C220 -178.6(7) . . . . ?
N19 C181 C182 C183 67.7(9) . . . . ?
N19 C181 C182 C187 -113.1(9) . . . . ?
N19 C181 C188 N20 36.3(8) . . . . ?
N19 C181 C188 C189 158.9(6) . . . . ?
C54 N3 C47 C40 142.3(7) . . . . ?
C54 N3 C47 C48 17.6(10) . . . . ?
C54 C55 C56 C57 172.0(8) . . . . ?
C222 N19 C181 C182 15.3(10) . . . . ?
C222 N19 C181 C188 141.2(7) . . . . ?
C222 C221 C220 C219 170.2(7) . . . . ?
C47 N3 C54 C55 168.3(6) . . . . ?
C47 C40 C41 C42 -68.1(9) . . . . ?
C47 C40 C41 C46 115.1(9) . . . . ?
C47 C48 C49 C50 -176.4(9) . . . . ?
C47 C48 C53 C52 176.3(8) . . . . ?
C4 C3 C13 C14 -126.2(8) . . . . ?
C4 C3 C13 C18 59.9(11) . . . . ?
C4 C3 C2 C1 -0.3(14) . . . . ?
C4 C5 C6 C1 2.3(13) . . . . ?
C4 C5 C7 C12 138.6(9) . . . . ?
C4 C5 C7 C8 -46.2(11) . . . . ?
C195 N20 C188 C189 51.6(8) . . . . ?
C195 N20 C188 C181 172.4(6) . . . . ?
C217 N24 C221 C222 -170.2(6) . . . . ?
C217 N24 C221 C220 1.6(10) . . . . ?
C217 C218 C219 C220 3.6(12) . . . . ?
C3 C4 C5 C6 -4.1(11) . . . . ?
C3 C4 C5 C7 173.8(7) . . . . ?
C3 C13 C18 C17 173.1(7) . . . . ?
C3 C2 C1 C6 -1.6(14) . . . . ?
C87 N9 C88 C95 130.2(7) . . . . ?
C87 N9 C88 C89 3.4(10) . . . . ?
C87 C86 C85 C84 175.5(8) . . . . ?
C209 N23 C216 C217 174.1(6) . . . . ?
C209 C202 C203 C204 -59.6(9) . . . . ?
C209 C202 C203 C208 115.3(8) . . . . ?
C209 C210 C215 C214 178.1(8) . . . . ?
C209 C210 C211 C212 -179.2(7) . . . . ?
C38 N5 C34 C35 3.8(10) . . . . ?
C38 N5 C34 C33 -169.4(6) . . . . ?
C221 N24 C217 C218 0.6(11) . . . . ?
C221 N24 C217 C216 178.3(6) . . . . ?
C221 C220 C219 C218 -1.7(12) . . . . ?
C167 N18 C166 C165 -177.8(6) . . . . ?
C167 C168 C173 C172 178.6(7) . . . . ?
C167 C168 C169 C170 -177.6(7) . . . . ?
C76 C75 C74 N11 -110.8(7) . . . . ?
C76 C75 C74 C67 128.6(7) . . . . ?
C76 C75 C80 C79 -0.9(12) . . . . ?
C224 C225 C229 C230 128.6(9) . . . . ?
C224 C225 C229 C234 -46.8(11) . . . . ?
C224 C223 C228 C227 -3.1(13) . . . . ?
C101 C96 C97 C98 -0.7(12) . . . . ?
C101 C96 C95 N8 67.5(10) . . . . ?
C101 C96 C95 C88 -54.1(10) . . . . ?
C101 C100 C99 C98 0.3(15) . . . . ?
C189 C190 C191 C192 -0.9(14) . . . . ?
C189 C194 C193 C192 3.8(15) . . . . ?
C75 C76 C77 C78 -0.2(12) . . . . ?
C75 C80 C79 C78 1.5(14) . . . . ?
C59 N2 C55 C54 -171.6(7) . . . . ?
C59 N2 C55 C56 1.8(11) . . . . ?
C59 C58 C57 C56 1.4(12) . . . . ?
C67 N12 C66 C65 172.8(6) . . . . ?
C102 N8 C95 C96 39.6(9) . . . . ?
C102 N8 C95 C88 163.6(7) . . . . ?
C102 C61 C62 C63 -174.9(7) . . . . ?
C202 N22 C201 C200 168.6(6) . . . . ?
C202 C209 C210 C215 -61.6(9) . . . . ?
C202 C209 C210 C211 118.7(8) . . . . ?
C202 C203 C204 C205 176.4(7) . . . . ?
C202 C203 C208 C207 -174.5(8) . . . . ?
C159 C154 C155 C156 1.2(13) . . . . ?
C159 C158 C157 C156 3.8(14) . . . . ?
C83 C84 C85 C86 -1.3(13) . . . . ?
C210 C209 C202 N22 161.0(6) . . . . ?
C210 C209 C202 C203 -70.0(7) . . . . ?
C210 C215 C214 C213 2.8(14) . . . . ?
C210 C211 C212 C213 -0.5(14) . . . . ?
C48 C49 C50 C51 -1.0(17) . . . . ?
C48 C53 C52 C51 1.2(14) . . . . ?
C145 N15 C146 C153 162.8(6) . . . . ?
C145 N15 C146 C147 39.0(9) . . . . ?
C145 C144 C143 C142 -175.2(7) . . . . ?
C34 N5 C38 C39 177.8(6) . . . . ?
C34 N5 C38 C37 -0.4(11) . . . . ?
C34 C35 C36 C37 -0.9(12) . . . . ?
C164 C165 C166 N18 179.5(7) . . . . ?
C164 C163 C162 C161 -1.4(11) . . . . ?
C196 C197 C198 C199 4.2(12) . . . . ?
C196 N21 C200 C201 -172.9(6) . . . . ?
C196 N21 C200 C199 1.2(11) . . . . ?
C60 N1 C19 C26 173.1(6) . . . . ?
C60 N1 C19 C20 50.0(8) . . . . ?
C60 C59 C58 C57 -178.6(7) . . . . ?
C132 C131 C130 C129 -2.4(15) . . . . ?
C314 C315 C316 C317 -1.7(13) . . . . ?
C314 C313 B4 C319 -84.2(10) . . . . ?
C314 C313 B4 C325 158.7(7) . . . . ?
C314 C313 B4 C331 36.5(10) . . . . ?
C295 C300 C299 C298 1.4(13) . . . . ?
C295 C296 C297 C298 -0.6(13) . . . . ?
C65 N7 C61 C102 174.2(7) . . . . ?
C65 N7 C61 C62 -2.4(11) . . . . ?
C36 C35 C34 N5 -3.3(12) . . . . ?
C36 C35 C34 C33 169.5(7) . . . . ?
C96 C101 C100 C99 -0.4(15) . . . . ?
C96 C97 C98 C99 0.6(13) . . . . ?
C96 C95 C88 N9 171.9(6) . . . . ?
C96 C95 C88 C89 -58.5(9) . . . . ?
C105 C104 C109 C110 55.5(11) . . . . ?
C105 C104 C109 C114 -120.3(9) . . . . ?
C105 C104 C103 O4 -171.6(7) . . . . ?
C105 C104 C103 C108 7.1(11) . . . . ?
C66 N12 C67 C74 130.0(7) . . . . ?
C66 N12 C67 C68 5.1(10) . . . . ?
C66 C65 C64 C63 176.4(8) . . . . ?
C166 N18 C167 C168 39.8(8) . . . . ?
C166 N18 C167 C174 163.7(6) . . . . ?
C166 C165 C164 C163 -173.0(7) . . . . ?
C5 C4 C3 C13 -173.5(7) . . . . ?
C5 C4 C3 C2 3.1(12) . . . . ?
C5 C6 C1 C2 0.6(14) . . . . ?
C5 C7 C12 C11 175.8(8) . . . . ?
C5 C7 C8 C9 -173.6(9) . . . . ?
C74 N11 C81 C82 -176.3(6) . . . . ?
C74 C75 C80 C79 -178.1(8) . . . . ?
C74 C67 C68 C69 -56.0(9) . . . . ?
C74 C67 C68 C73 129.9(7) . . . . ?
C85 C86 C87 N9 174.8(7) . . . . ?
C85 C84 C83 C82 -0.6(12) . . . . ?
C287 C288 C283 C284 -1.2(11) . . . . ?
C287 C288 C283 B2 173.0(7) . . . . ?
C26 N6 C33 C34 165.6(7) . . . . ?
C26 C27 C32 C31 179.9(8) . . . . ?
C26 C27 C28 C29 179.5(10) . . . . ?
C153 N16 C160 C161 174.8(6) . . . . ?
C153 C154 C155 C156 -178.1(8) . . . . ?
C153 C146 C147 C152 127.0(7) . . . . ?
C153 C146 C147 C148 -55.5(10) . . . . ?
C27 C26 C19 N1 165.2(6) . . . . ?
C27 C26 C19 C20 -69.4(8) . . . . ?
C27 C32 C31 C30 2.1(14) . . . . ?
C27 C28 C29 C30 -1(2) . . . . ?
C82 N10 C86 C87 -173.9(6) . . . . ?
C82 N10 C86 C85 0.7(11) . . . . ?
C218 C217 C216 N23 -176.5(7) . . . . ?
C154 C159 C158 C157 -3.2(13) . . . . ?
C154 C153 C146 N15 177.6(6) . . . . ?
C154 C153 C146 C147 -57.2(8) . . . . ?
C154 C155 C156 C157 -0.5(15) . . . . ?
C104 C105 C106 C107 -1.0(13) . . . . ?
C104 C109 C110 C111 -176.6(8) . . . . ?
C104 C109 C114 C113 174.4(8) . . . . ?
C128 C129 C130 C131 3.7(15) . . . . ?
C21 C20 C19 N1 56.1(9) . . . . ?
C21 C20 C19 C26 -67.4(9) . . . . ?
C21 C20 C25 C24 -1.4(13) . . . . ?
C21 C22 C23 C24 -0.1(15) . . . . ?
C129 C128 C127 C132 1.9(12) . . . . ?
C129 C128 C127 C125 -174.2(7) . . . . ?
C168 C167 C174 N13 172.9(5) . . . . ?
C168 C167 C174 C175 -59.5(8) . . . . ?
C168 C169 C170 C171 -2.0(13) . . . . ?
C300 C295 C296 C297 0.6(12) . . . . ?
C300 C295 B3 C307 157.5(7) . . . . ?
C300 C295 B3 C289 -83.1(9) . . . . ?
C300 C295 B3 C301 37.6(11) . . . . ?
C271 C276 C275 C274 1.1(12) . . . . ?
C271 C272 C273 C274 2.2(14) . . . . ?
C276 C271 C272 C273 0.6(12) . . . . ?
C276 C271 B2 C283 15.6(10) . . . . ?
C276 C271 B2 C277 136.0(7) . . . . ?
C276 C271 B2 C265 -104.4(8) . . . . ?
C161 N17 C165 C164 -2.4(10) . . . . ?
C161 N17 C165 C166 172.7(6) . . . . ?
C172 C171 C170 C169 2.0(14) . . . . ?
C140 N14 C144 C143 -2.5(10) . . . . ?
C140 N14 C144 C145 173.8(7) . . . . ?
C272 C271 C276 C275 -2.3(11) . . . . ?
C272 C271 B2 C283 -167.5(7) . . . . ?
C272 C271 B2 C277 -47.1(10) . . . . ?
C272 C271 B2 C265 72.5(9) . . . . ?
C146 N15 C145 C144 -177.8(6) . . . . ?
C146 C153 C154 C159 -61.4(9) . . . . ?
C146 C153 C154 C155 117.8(8) . . . . ?
C146 C147 C148 C149 -176.0(8) . . . . ?
C308 C307 C312 C311 3.9(13) . . . . ?
C308 C307 B3 C295 -92.7(9) . . . . ?
C308 C307 B3 C289 147.9(7) . . . . ?
C308 C307 B3 C301 27.1(10) . . . . ?
C308 C309 C310 C311 0.9(13) . . . . ?
C173 C168 C169 C170 1.0(12) . . . . ?
C173 C172 C171 C170 -1.0(13) . . . . ?
C160 N16 C153 C154 1.7(9) . . . . ?
C160 N16 C153 C146 129.9(7) . . . . ?
C160 C161 C162 C163 177.2(7) . . . . ?
C14 C13 C18 C17 -0.8(12) . . . . ?
C216 N23 C209 C202 170.1(6) . . . . ?
C216 N23 C209 C210 46.7(9) . . . . ?
C216 C217 C218 C219 179.2(7) . . . . ?
C115 C116 C117 C118 -0.7(13) . . . . ?
C115 C108 C103 O4 -9.2(11) . . . . ?
C115 C108 C103 C104 172.2(7) . . . . ?
C115 C108 C107 C106 -177.3(7) . . . . ?
C115 C120 C119 C118 -0.7(14) . . . . ?
C315 C314 C313 C318 -1.1(11) . . . . ?
C315 C314 C313 B4 175.7(8) . . . . ?
C315 C316 C317 C318 1.9(13) . . . . ?
C291 C290 C289 C294 1.5(12) . . . . ?
C291 C290 C289 B3 -176.8(8) . . . . ?
C291 C292 C293 C294 0.2(12) . . . . ?
C230 C229 C234 C233 0.6(14) . . . . ?
C230 C231 C232 C233 0.2(17) . . . . ?
C203 C204 C205 C206 -1.2(13) . . . . ?
C203 C208 C207 C206 -2.8(15) . . . . ?
C13 C3 C2 C1 176.4(8) . . . . ?
C13 C14 C15 C16 0.0(13) . . . . ?
C198 C197 C196 N21 -4.4(12) . . . . ?
C198 C197 C196 C195 -178.4(7) . . . . ?
C307 C308 C309 C310 -0.6(12) . . . . ?
C307 C312 C311 C310 -3.8(14) . . . . ?
C6 C5 C7 C12 -43.5(12) . . . . ?
C6 C5 C7 C8 131.7(9) . . . . ?
C175 C176 C177 C178 3.5(15) . . . . ?
C290 C291 C292 C293 -1.9(13) . . . . ?
C290 C289 C294 C293 -3.1(11) . . . . ?
C290 C289 B3 C295 -166.9(7) . . . . ?
C290 C289 B3 C307 -47.9(10) . . . . ?
C290 C289 B3 C301 72.7(9) . . . . ?
C152 C147 C148 C149 1.6(13) . . . . ?
C152 C151 C150 C149 -2.7(14) . . . . ?
C225 C226 C227 C235 -173.5(7) . . . . ?
C225 C226 C227 C228 -2.2(11) . . . . ?
C225 C224 C223 C228 3.2(13) . . . . ?
C225 C229 C234 C233 175.8(8) . . . . ?
C80 C75 C74 N11 66.3(9) . . . . ?
C80 C75 C74 C67 -54.3(9) . . . . ?
C139 N13 C174 C167 131.7(7) . . . . ?
C139 N13 C174 C175 5.8(9) . . . . ?
C139 C140 C141 C142 174.5(8) . . . . ?
C97 C96 C95 N8 -110.1(8) . . . . ?
C97 C96 C95 C88 128.2(7) . . . . ?
C20 C21 C22 C23 0.4(15) . . . . ?
C20 C25 C24 C23 1.7(14) . . . . ?
C322 C323 C324 C319 -0.9(14) . . . . ?
C116 C115 C108 C103 -39.0(11) . . . . ?
C116 C115 C108 C107 138.1(8) . . . . ?
C116 C115 C120 C119 0.1(12) . . . . ?
C116 C117 C118 C119 0.1(14) . . . . ?
C138 C133 C123 C124 56.1(10) . . . . ?
C138 C133 C123 C122 -122.3(8) . . . . ?
C138 C133 C134 C135 -2.7(12) . . . . ?
C138 C137 C136 C135 -3.4(13) . . . . ?
C147 C152 C151 C150 2.6(13) . . . . ?
C147 C148 C149 C150 -1.8(15) . . . . ?
C319 C320 C321 C322 -2.4(15) . . . . ?
C319 B4 C331 C336 -143.0(8) . . . . ?
C319 B4 C331 C332 36.2(11) . . . . ?
C299 C298 C297 C296 0.9(13) . . . . ?
C235 C227 C228 C223 174.4(7) . . . . ?
C235 C240 C239 C238 -0.8(14) . . . . ?
C235 C236 C237 C238 -0.3(13) . . . . ?
C215 C210 C211 C212 1.1(13) . . . . ?
C215 C214 C213 C212 -2.2(15) . . . . ?
C284 C283 B2 C271 90.7(9) . . . . ?
C284 C283 B2 C277 -28.6(10) . . . . ?
C284 C283 B2 C265 -149.2(7) . . . . ?
C284 C285 C286 C287 1.6(13) . . . . ?
C131 C132 C127 C125 175.3(8) . . . . ?
C131 C132 C127 C128 -0.7(12) . . . . ?
C69 C70 C71 C72 0.3(14) . . . . ?
C108 C115 C116 C117 -175.9(7) . . . . ?
C108 C115 C120 C119 176.7(8) . . . . ?
C108 C107 C106 C105 3.1(13) . . . . ?
C174 N13 C139 C140 173.8(6) . . . . ?
C174 C167 C168 C173 127.0(7) . . . . ?
C174 C167 C168 C169 -54.4(9) . . . . ?
C174 C175 C176 C177 174.5(7) . . . . ?
C174 C175 C180 C179 -175.2(7) . . . . ?
C169 C168 C173 C172 0.0(11) . . . . ?
C318 C313 B4 C319 92.2(9) . . . . ?
C318 C313 B4 C325 -24.8(11) . . . . ?
C318 C313 B4 C331 -147.0(8) . . . . ?
C204 C203 C208 C207 0.8(13) . . . . ?
C204 C205 C206 C207 -1.0(15) . . . . ?
C289 C294 C293 C292 2.4(11) . . . . ?
C134 C133 C123 C124 -129.5(8) . . . . ?
C134 C133 C123 C122 52.1(10) . . . . ?
C134 C133 C138 C137 0.8(11) . . . . ?
C181 N19 C222 C221 166.0(6) . . . . ?
C181 C182 C187 C186 179.6(10) . . . . ?
C288 C287 C286 C285 -0.6(13) . . . . ?
C288 C283 B2 C271 -83.1(9) . . . . ?
C288 C283 B2 C277 157.7(7) . . . . ?
C288 C283 B2 C265 37.1(10) . . . . ?
C16 C17 C18 C13 0.4(13) . . . . ?
C190 C189 C194 C193 -0.1(13) . . . . ?
C190 C189 C188 N20 -125.6(8) . . . . ?
C190 C189 C188 C181 113.0(8) . . . . ?
C190 C191 C192 C193 4.7(15) . . . . ?
C17 C16 C15 C14 -0.4(14) . . . . ?
C109 C104 C103 O4 10.8(10) . . . . ?
C109 C104 C103 C108 -170.5(7) . . . . ?
C109 C110 C111 C112 0.2(14) . . . . ?
C241 C246 C245 C244 0.4(14) . . . . ?
C2 C3 C13 C14 57.0(11) . . . . ?
C2 C3 C13 C18 -116.9(9) . . . . ?
C56 C55 C54 N3 -176.7(7) . . . . ?
C19 N1 C60 C59 178.8(6) . . . . ?
C19 C26 C27 C32 -63.8(10) . . . . ?
C19 C26 C27 C28 120.6(9) . . . . ?
C19 C20 C25 C24 180.0(7) . . . . ?
C141 C140 C139 N13 174.4(7) . . . . ?
C158 C159 C154 C153 179.9(7) . . . . ?
C158 C159 C154 C155 0.6(12) . . . . ?
C296 C295 C300 C299 -1.0(12) . . . . ?
C296 C295 B3 C307 -29.9(11) . . . . ?
C296 C295 B3 C289 89.5(9) . . . . ?
C296 C295 B3 C301 -149.8(7) . . . . ?
C273 C274 C275 C276 1.8(12) . . . . ?
C137 C136 C135 C134 1.6(15) . . . . ?
C103 C104 C109 C110 -127.0(8) . . . . ?
C103 C104 C109 C114 57.2(10) . . . . ?
C103 C108 C107 C106 -0.1(12) . . . . ?
C58 C59 C60 N1 -179.8(7) . . . . ?
C25 C20 C19 N1 -125.3(7) . . . . ?
C25 C20 C19 C26 111.2(8) . . . . ?
C25 C24 C23 C22 -0.9(15) . . . . ?
C7 C5 C6 C1 -175.6(8) . . . . ?
C7 C12 C11 C10 0.2(16) . . . . ?
C7 C8 C9 C10 -4.2(16) . . . . ?
C323 C322 C321 C320 0.9(15) . . . . ?
C95 N8 C102 C61 -176.9(7) . . . . ?
C95 C96 C97 C98 177.0(7) . . . . ?
C95 C88 C89 C90 -59.9(9) . . . . ?
C95 C88 C89 C94 120.8(8) . . . . ?
C223 C224 C225 C226 -2.9(13) . . . . ?
C223 C224 C225 C229 -179.1(8) . . . . ?
C90 C91 C92 C93 1.1(15) . . . . ?
C124 C123 C122 C121 -3.4(11) . . . . ?
C124 C125 C127 C132 145.4(8) . . . . ?
C124 C125 C127 C128 -38.7(10) . . . . ?
C124 C125 C126 C121 -0.2(11) . . . . ?
C312 C307 B3 C295 85.1(9) . . . . ?
C312 C307 B3 C289 -34.3(10) . . . . ?
C312 C307 B3 C301 -155.2(7) . . . . ?
C312 C311 C310 C309 1.2(14) . . . . ?
C64 C65 C66 N12 175.0(8) . . . . ?
C64 C63 C62 C61 1.6(12) . . . . ?
C122 C123 C124 O5 -170.6(6) . . . . ?
C122 C123 C124 C125 6.7(10) . . . . ?
C122 C121 C126 C125 3.6(12) . . . . ?
C49 C48 C53 C52 -3.4(12) . . . . ?
C49 C50 C51 C52 -1.2(19) . . . . ?
C41 C40 C47 N3 161.0(6) . . . . ?
C41 C40 C47 C48 -69.5(8) . . . . ?
C41 C42 C43 C44 -0.7(14) . . . . ?
C41 C46 C45 C44 2.5(17) . . . . ?
C240 C235 C236 C237 -1.0(12) . . . . ?
C240 C239 C238 C237 -0.6(14) . . . . ?
C282 C277 C278 C279 -0.4(11) . . . . ?
C282 C277 B2 C271 150.6(7) . . . . ?
C282 C277 B2 C283 -89.9(9) . . . . ?
C282 C277 B2 C265 30.8(10) . . . . ?
C282 C281 C280 C279 2.9(13) . . . . ?
C91 C90 C89 C88 -180.0(7) . . . . ?
C91 C90 C89 C94 -0.6(12) . . . . ?
C91 C92 C93 C94 -1.5(17) . . . . ?
C228 C227 C235 C240 58.6(10) . . . . ?
C228 C227 C235 C236 -118.1(8) . . . . ?
C313 C314 C315 C316 1.3(13) . . . . ?
C313 C318 C317 C316 -1.9(13) . . . . ?
C313 B4 C331 C336 98.5(9) . . . . ?
C313 B4 C331 C332 -82.3(9) . . . . ?
C42 C41 C46 C45 0.2(14) . . . . ?
C42 C43 C44 C45 3.5(17) . . . . ?
C171 C172 C173 C168 -0.1(12) . . . . ?
C148 C149 C150 C151 2.3(14) . . . . ?
C248 C249 C250 C251 0.4(15) . . . . ?
C248 C247 B1 C241 -30.4(11) . . . . ?
C248 C247 B1 C259 -154.0(8) . . . . ?
C248 C247 B1 C253 87.2(10) . . . . ?
C248 C247 C252 C251 1.1(13) . . . . ?
C50 C51 C52 C53 1.1(17) . . . . ?
C306 C301 B3 C295 -135.7(8) . . . . ?
C306 C301 B3 C307 105.0(9) . . . . ?
C306 C301 B3 C289 -15.4(11) . . . . ?
C306 C301 C302 C303 0.7(13) . . . . ?
C306 C305 C304 C303 -1.5(13) . . . . ?
C324 C319 C320 C321 2.1(13) . . . . ?
C324 C319 B4 C313 150.4(8) . . . . ?
C324 C319 B4 C325 -89.9(11) . . . . ?
C324 C319 B4 C331 30.4(12) . . . . ?
C107 C108 C103 O4 173.6(7) . . . . ?
C107 C108 C103 C104 -5.1(11) . . . . ?
C120 C115 C116 C117 0.6(11) . . . . ?
C120 C115 C108 C103 144.5(8) . . . . ?
C120 C115 C108 C107 -38.4(11) . . . . ?
C120 C119 C118 C117 0.6(15) . . . . ?
C112 C113 C114 C109 4.4(13) . . . . ?
C283 C284 C285 C286 -2.5(13) . . . . ?
C155 C156 C157 C158 -2.0(15) . . . . ?
C178 C179 C180 C175 -1.7(12) . . . . ?
C110 C109 C114 C113 -1.4(13) . . . . ?
C179 C178 C177 C176 -5.6(16) . . . . ?
C236 C235 C240 C239 1.6(12) . . . . ?
C236 C237 C238 C239 1.1(14) . . . . ?
C113 C112 C111 C110 2.9(15) . . . . ?
C22 C21 C20 C19 179.0(8) . . . . ?
C22 C21 C20 C25 0.3(14) . . . . ?
C211 C210 C215 C214 -2.3(13) . . . . ?
C211 C212 C213 C214 1.1(15) . . . . ?
C183 C182 C187 C186 -1.2(15) . . . . ?
C229 C230 C231 C232 0.1(15) . . . . ?
C229 C234 C233 C232 -0.3(15) . . . . ?
C176 C175 C174 N13 -106.8(8) . . . . ?
C176 C175 C174 C167 129.6(7) . . . . ?
C176 C175 C180 C179 -0.4(11) . . . . ?
C334 C333 C332 C331 1.0(15) . . . . ?
C277 C282 C281 C280 -3.5(12) . . . . ?
C277 C278 C279 C280 -0.1(13) . . . . ?
C325 C330 C329 C328 -3.6(15) . . . . ?
C325 B4 C331 C336 -24.3(11) . . . . ?
C325 B4 C331 C332 154.8(8) . . . . ?
C292 C291 C290 C289 1.0(13) . . . . ?
C259 C260 C261 C262 -1.1(19) . . . . ?
C194 C189 C190 C191 -1.3(13) . . . . ?
C194 C189 C188 N20 55.5(9) . . . . ?
C194 C189 C188 C181 -65.8(9) . . . . ?
C194 C193 C192 C191 -6.2(16) . . . . ?
C275 C274 C273 C272 -3.4(13) . . . . ?
C88 N9 C87 C86 175.8(6) . . . . ?
C106 C105 C104 C109 173.5(8) . . . . ?
C106 C105 C104 C103 -4.0(12) . . . . ?
C12 C7 C8 C9 1.7(14) . . . . ?
C12 C11 C10 C9 -2.7(17) . . . . ?
C320 C319 C324 C323 -0.5(13) . . . . ?
C320 C319 B4 C313 -38.7(11) . . . . ?
C320 C319 B4 C325 81.0(10) . . . . ?
C320 C319 B4 C331 -158.7(7) . . . . ?
C333 C334 C335 C336 6.2(15) . . . . ?
C333 C332 C331 C336 2.1(12) . . . . ?
C333 C332 C331 B4 -177.1(8) . . . . ?
C327 C328 C329 C330 3.4(15) . . . . ?
C249 C248 C247 B1 -172.8(8) . . . . ?
C249 C248 C247 C252 1.0(13) . . . . ?
C249 C250 C251 C252 1.8(16) . . . . ?
C294 C289 B3 C295 15.0(11) . . . . ?
C294 C289 B3 C307 134.0(7) . . . . ?
C294 C289 B3 C301 -105.4(8) . . . . ?
C265 C266 C267 C268 0.0(16) . . . . ?
C70 C69 C68 C67 -174.5(7) . . . . ?
C70 C69 C68 C73 -0.2(11) . . . . ?
C70 C71 C72 C73 0.3(15) . . . . ?
C114 C109 C110 C111 -0.9(13) . . . . ?
C301 C306 C305 C304 3.1(13) . . . . ?
C301 C302 C303 C304 0.6(14) . . . . ?
C111 C112 C113 C114 -5.1(14) . . . . ?
C162 C161 C160 N16 175.9(7) . . . . ?
C182 C181 C188 N20 166.2(6) . . . . ?
C182 C181 C188 C189 -71.2(8) . . . . ?
C182 C183 C184 C185 -0.2(16) . . . . ?
C208 C203 C204 C205 1.3(12) . . . . ?
C208 C207 C206 C205 3.0(16) . . . . ?
B3 C295 C300 C299 172.1(8) . . . . ?
B3 C295 C296 C297 -172.4(8) . . . . ?
B3 C307 C312 C311 -174.0(8) . . . . ?
B3 C289 C294 C293 175.1(7) . . . . ?
B3 C301 C302 C303 -178.5(8) . . . . ?
C32 C27 C28 C29 3.8(16) . . . . ?
C32 C31 C30 C29 1.0(19) . . . . ?
C53 C48 C49 C50 3.3(13) . . . . ?
C302 C301 B3 C295 43.4(10) . . . . ?
C302 C301 B3 C307 -75.9(9) . . . . ?
C302 C301 B3 C289 163.7(7) . . . . ?
C302 C303 C304 C305 -0.3(14) . . . . ?
C309 C308 C307 C312 -1.6(11) . . . . ?
C309 C308 C307 B3 176.3(7) . . . . ?
C8 C7 C12 C11 0.4(14) . . . . ?
C281 C282 C277 C278 2.1(11) . . . . ?
C281 C282 C277 B2 176.0(7) . . . . ?
C281 C280 C279 C278 -1.2(13) . . . . ?
C328 C327 C326 C325 2.0(15) . . . . ?
C46 C41 C42 C43 -1.1(13) . . . . ?
C46 C45 C44 C43 -4.4(18) . . . . ?
C297 C298 C299 C300 -1.3(13) . . . . ?
C100 C101 C96 C97 0.6(13) . . . . ?
C100 C101 C96 C95 -177.0(8) . . . . ?
C100 C99 C98 C97 -0.4(14) . . . . ?
C278 C277 B2 C271 -35.8(9) . . . . ?
C278 C277 B2 C283 83.6(9) . . . . ?
C278 C277 B2 C265 -155.7(7) . . . . ?
C246 C241 B1 C259 -151.5(8) . . . . ?
C246 C241 B1 C247 85.1(10) . . . . ?
C246 C241 B1 C253 -29.6(12) . . . . ?
C246 C241 C242 C243 1.5(12) . . . . ?
C28 C27 C32 C31 -4.4(13) . . . . ?
C28 C29 C30 C31 -2(2) . . . . ?
C77 C76 C75 C74 177.4(7) . . . . ?
C77 C76 C75 C80 0.2(12) . . . . ?
C77 C78 C79 C80 -1.5(14) . . . . ?
C231 C230 C229 C225 -175.8(8) . . . . ?
C231 C230 C229 C234 -0.5(14) . . . . ?
C231 C232 C233 C234 -0.1(16) . . . . ?
C305 C306 C301 B3 176.6(8) . . . . ?
C305 C306 C301 C302 -2.6(12) . . . . ?
C243 C244 C245 C246 1.5(13) . . . . ?
C247 C248 C249 C250 -1.9(14) . . . . ?
C11 C10 C9 C8 4.7(17) . . . . ?
C244 C243 C242 C241 0.3(13) . . . . ?
C269 C268 C267 C266 -1.0(15) . . . . ?
C253 C254 C255 C256 0(3) . . . . ?
C330 C325 B4 C319 -163.4(8) . . . . ?
C330 C325 B4 C313 -46.2(11) . . . . ?
C330 C325 B4 C331 75.7(10) . . . . ?
C330 C325 C326 C327 -2.0(13) . . . . ?
C266 C265 C270 C269 -4.1(12) . . . . ?
C266 C265 B2 C271 162.5(8) . . . . ?
C266 C265 B2 C283 42.9(10) . . . . ?
C266 C265 B2 C277 -78.3(9) . . . . ?
C260 C259 C264 C263 2.8(15) . . . . ?
C260 C259 B1 C241 95.0(10) . . . . ?
C260 C259 B1 C247 -142.9(9) . . . . ?
C260 C259 B1 C253 -26.8(12) . . . . ?
C260 C261 C262 C263 0.9(18) . . . . ?
C151 C152 C147 C146 175.6(7) . . . . ?
C151 C152 C147 C148 -2.0(12) . . . . ?
C268 C269 C270 C265 3.3(13) . . . . ?
B4 C319 C324 C323 171.0(8) . . . . ?
B4 C319 C320 C321 -169.7(8) . . . . ?
B4 C325 C330 C329 178.8(8) . . . . ?
B4 C325 C326 C327 -178.0(9) . . . . ?
C264 C259 C260 C261 -0.6(15) . . . . ?
C264 C259 B1 C241 -86.4(11) . . . . ?
C264 C259 B1 C247 35.7(12) . . . . ?
C264 C259 B1 C253 151.8(9) . . . . ?
C264 C263 C262 C261 1.2(17) . . . . ?
C177 C178 C179 C180 4.5(14) . . . . ?
C72 C73 C68 C67 175.2(8) . . . . ?
C72 C73 C68 C69 0.8(12) . . . . ?
C186 C185 C184 C183 1(2) . . . . ?
C257 C256 C255 C254 -3(2) . . . . ?
C256 C257 C258 C253 4(2) . . . . ?
C254 C253 B1 C241 146.4(12) . . . . ?
C254 C253 B1 C259 -90.6(14) . . . . ?
C254 C253 B1 C247 29.2(16) . . . . ?
C254 C253 C258 C257 -6(2) . . . . ?
C185 C186 C187 C182 2(2) . . . . ?
B1 C241 C246 C245 -179.9(8) . . . . ?
B1 C241 C242 C243 179.6(8) . . . . ?
B1 C259 C260 C261 178.1(10) . . . . ?
B1 C259 C264 C263 -175.9(10) . . . . ?
B1 C247 C252 C251 174.8(8) . . . . ?
B1 C253 C254 C255 178.8(13) . . . . ?
B1 C253 C258 C257 179.1(12) . . . . ?
C187 C186 C185 C184 -2(2) . . . . ?
C188 N20 C195 C196 178.5(6) . . . . ?
C188 C189 C190 C191 179.8(8) . . . . ?
C188 C189 C194 C193 178.9(8) . . . . ?
C188 C181 C182 C183 -58.6(9) . . . . ?
C188 C181 C182 C187 120.5(8) . . . . ?
C33 N6 C26 C27 17.9(11) . . . . ?
C33 N6 C26 C19 144.1(7) . . . . ?
C68 C67 C74 N11 175.6(5) . . . . ?
C68 C67 C74 C75 -59.5(8) . . . . ?
C68 C69 C70 C71 -0.3(12) . . . . ?
C68 C73 C72 C71 -0.9(14) . . . . ?
C270 C265 C266 C267 2.5(14) . . . . ?
C270 C265 B2 C271 -19.3(11) . . . . ?
C270 C265 B2 C283 -138.8(8) . . . . ?
C270 C265 B2 C277 99.9(9) . . . . ?
C270 C269 C268 C267 -0.6(14) . . . . ?
C89 C90 C91 C92 -0.1(13) . . . . ?
C89 C94 C93 C92 0.8(16) . . . . ?
C127 C132 C131 C130 1.0(14) . . . . ?
C127 C125 C124 O5 -8.4(10) . . . . ?
C127 C125 C124 C123 174.3(7) . . . . ?
C127 C125 C126 C121 -179.4(7) . . . . ?
C127 C128 C129 C130 -3.4(13) . . . . ?
C317 C318 C313 C314 1.4(12) . . . . ?
C317 C318 C313 B4 -175.5(8) . . . . ?
C126 C125 C124 O5 172.4(6) . . . . ?
C126 C125 C124 C123 -4.9(10) . . . . ?
C126 C125 C127 C132 -35.4(11) . . . . ?
C126 C125 C127 C128 140.5(8) . . . . ?
C126 C121 C122 C123 -1.8(12) . . . . ?
C15 C14 C13 C3 -173.5(8) . . . . ?
C15 C14 C13 C18 0.5(12) . . . . ?
C15 C16 C17 C18 0.1(13) . . . . ?
C62 C61 C102 N8 179.2(7) . . . . ?
C62 C63 C64 C65 -3.5(13) . . . . ?
B2 C271 C276 C275 174.9(7) . . . . ?
B2 C271 C272 C273 -176.6(8) . . . . ?
B2 C277 C278 C279 -174.4(7) . . . . ?
B2 C265 C266 C267 -179.1(9) . . . . ?
B2 C265 C270 C269 177.6(8) . . . . ?
C326 C325 C330 C329 2.8(13) . . . . ?
C326 C325 B4 C319 12.4(12) . . . . ?
C326 C325 B4 C313 129.5(8) . . . . ?
C326 C325 B4 C331 -108.6(9) . . . . ?
C326 C327 C328 C329 -2.6(15) . . . . ?
C184 C183 C182 C181 179.3(7) . . . . ?
C184 C183 C182 C187 0.1(13) . . . . ?
C93 C94 C89 C90 0.3(13) . . . . ?
C93 C94 C89 C88 179.7(8) . . . . ?
C321 C322 C323 C324 0.7(14) . . . . ?
C242 C241 C246 C245 -1.8(12) . . . . ?
C242 C241 B1 C259 30.5(11) . . . . ?
C242 C241 B1 C247 -92.8(10) . . . . ?
C242 C241 B1 C253 152.4(8) . . . . ?
C242 C243 C244 C245 -1.9(13) . . . . ?
C79 C78 C77 C76 0.8(13) . . . . ?
C331 C336 C335 C334 -3.0(15) . . . . ?
C250 C251 C252 C247 -2.6(15) . . . . ?
C252 C247 B1 C241 156.2(8) . . . . ?
C252 C247 B1 C259 32.6(12) . . . . ?
C252 C247 B1 C253 -86.2(11) . . . . ?
C335 C334 C333 C332 -5.2(15) . . . . ?
C335 C336 C331 C332 -1.1(12) . . . . ?
C335 C336 C331 B4 178.1(8) . . . . ?
C262 C263 C264 C259 -3.2(17) . . . . ?
C285 C284 C283 C288 2.2(11) . . . . ?
C285 C284 C283 B2 -171.9(7) . . . . ?
C286 C287 C288 C283 0.5(13) . . . . ?
C180 C175 C174 N13 68.0(9) . . . . ?
C180 C175 C174 C167 -55.6(9) . . . . ?
C180 C175 C176 C177 -0.4(12) . . . . ?
C258 C253 C254 C255 5(2) . . . . ?
C258 C253 B1 C241 -39.6(14) . . . . ?
C258 C253 B1 C259 83.4(13) . . . . ?
C258 C253 B1 C247 -156.8(11) . . . . ?
C258 C257 C256 C255 1(2) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 1090 electrons were 
found in a volume of 7840Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
6.5[CH3CN] per Asymmetric Unit 
which account for 1144 electrons 
per unit cell.
;
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 0.315 -0.596 -0.642 7716.2 1090.4 '52 CH3CN'
2 0.120 0.228 0.250 31.2 0.0 ?
3 0.380 0.728 0.750 31.2 0.0 ?
4 0.620 0.728 0.250 31.2 0.0 ?
5 0.880 0.228 0.750 31.2 0.0 ?

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

# start Validation Reply Form
_vrf_PLAT910_1                   
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min). 20 Note 
RESPONSE: The missing FCF reflections below theta(min) were caused by the 
high beamstop theta(min) limit set.
;
# end Validation Reply Form
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 2228952'
loop_
_audit_author_name
_audit_author_address
'Chen Zhao'
;CIAC
China
;
_audit_update_record             
;
2023-07-07 deposited with the CCDC.	2023-07-10 downloaded from the CCDC.
;
_audit_creation_date             2023-06-20
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C84 H68 Cl2 Dy2 N12 O2, 2(C24 H20 B), 6[CH3CN]'
_chemical_formula_sum            'C144 H126 B2 Cl2 Dy2 N18 O2'
_chemical_formula_weight         2558.14
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.7298(3)
_cell_length_b                   16.3326(4)
_cell_length_c                   47.7251(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12261.0(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    180.00
_cell_measurement_theta_max      22.625
_cell_measurement_theta_min      2.277
_shelx_estimated_absorpt_T_max   0.880
_shelx_estimated_absorpt_T_min   0.779
_exptl_absorpt_coefficient_mu    1.315
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1223 before and 0.0925 after correction.
The Ratio of minimum to maximum transmission is 0.8065.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             5232
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0681
_diffrn_reflns_av_unetI/netI     0.0638
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       56
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            90517
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.053
_diffrn_reflns_theta_min         1.990
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.834
_reflns_Friedel_fraction_full    0.975
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                17106
_reflns_number_total             21667
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.119
_refine_diff_density_min         -1.283
_refine_diff_density_rms         0.096
_refine_ls_abs_structure_details 
;
 Flack x determined using 6825 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.007(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1369
_refine_ls_number_reflns         21667
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0474
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0668P)²+8.8887P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1130
_refine_ls_wR_factor_ref         0.1321
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1.a Ternary CH refined with riding coordinates:
 C14(H14), C18(H18), C28(H28), C36(H36), C50(H50), C58(H58), C98(H98), C9(H9)
1.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C6(H6), C12(H12), C24(H24), C32(H32), C34(H34), C42(H42),
 C46(H46), C48(H48), C52(H52), C54(H54), C62(H62), C64(H64), C68(H68), C70(H70),
  C72(H72), C74(H74), C76(H76), C78(H78), C80(H80), C82(H82), C86(H86),
 C88(H88), C92(H92), C94(H94), C96(H96), C100(H100), C104(H104), C112(H112),
 C114(H114), C116(H116), C118(H118), C120(H120), C122(H122), C124(H124),
 C126(H126), C128(H128), C130(H130), C33(H33), C67(H67), C69(H69), C35(H35),
 C71(H71), C73(H73), C37(H37), C75(H75), C19(H19), C77(H77), C39(H39), C79(H79),
  C5(H5), C81(H81), C41(H41), C83(H83), C21(H21), C85(H85), C43(H43), C11(H11),
 C89(H89), C45(H45), C23(H23), C93(H93), C47(H47), C95(H95), C3(H3), C97(H97),
 C49(H49), C99(H99), C25(H25), C101(H101), C51(H51), C103(H103), C13(H13),
 C105(H105), C53(H53), C27(H27), C109(H109), C55(H55), C111(H111), C7(H7),
 C113(H113), C57(H57), C115(H115), C29(H29), C117(H117), C59(H59), C119(H119),
 C15(H15), C121(H121), C61(H61), C123(H123), C31(H31), C125(H125), C63(H63),
 C127(H127), C2(H2), C129(H129), C65(H65), C131(H131)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Dy2 Dy 0.42953(3) 0.30016(3) 0.58347(2) 0.03523(13) Uani 1 1 d . . . . .
Dy1 Dy 0.46185(3) 0.33065(3) 0.67097(2) 0.03601(13) Uani 1 1 d . . . . .
Cl2 Cl 0.4074(2) 0.27184(18) 0.52949(6) 0.0561(8) Uani 1 1 d . . . . .
Cl1 Cl 0.4824(2) 0.3553(2) 0.72571(6) 0.0642(9) Uani 1 1 d . . . . .
O1 O 0.4863(4) 0.3438(4) 0.62421(13) 0.0385(16) Uani 1 1 d . . . . .
N12 N 0.5520(4) 0.1920(5) 0.58836(16) 0.0351(18) Uani 1 1 d . . . . .
N8 N 0.2687(5) 0.2550(4) 0.58556(17) 0.0329(17) Uani 1 1 d . . . . .
N4 N 0.4016(5) 0.4794(5) 0.66542(17) 0.038(2) Uani 1 1 d . . . . .
O2 O 0.4058(4) 0.2922(4) 0.62997(14) 0.0447(17) Uani 1 1 d . . . . .
N5 N 0.5690(6) 0.4542(4) 0.66800(18) 0.0416(19) Uani 1 1 d . . . . .
N2 N 0.3589(6) 0.2097(5) 0.68681(18) 0.044(2) Uani 1 1 d . . . . .
N1 N 0.5191(5) 0.1784(4) 0.67377(17) 0.0379(19) Uani 1 1 d . . . . .
N10 N 0.4593(6) 0.4457(4) 0.56109(16) 0.0385(19) Uani 1 1 d . . . . .
N6 N 0.6232(5) 0.3046(5) 0.68129(17) 0.038(2) Uani 1 1 d . . . . .
C1 C 0.5394(7) 0.1155(6) 0.5836(2) 0.042(2) Uani 1 1 d . . . . .
H1 H 0.5855 0.0779 0.5834 0.050 Uiso 1 1 calc R U . . .
N11 N 0.5861(5) 0.3340(5) 0.56435(16) 0.0375(18) Uani 1 1 d . . . . .
N9 N 0.3107(5) 0.4132(4) 0.58562(17) 0.0334(17) Uani 1 1 d . . . . .
C4 C 0.5940(7) 0.1623(6) 0.6824(2) 0.040(2) Uani 1 1 d . . . . .
H4 H 0.6117 0.1072 0.6850 0.049 Uiso 1 1 calc R U . . .
C6 C 0.7374(7) 0.1565(7) 0.6254(2) 0.050(3) Uani 1 1 d . . . . .
H6 H 0.7159 0.1928 0.6393 0.060 Uiso 1 1 calc R U . . .
C8 C 0.1624(6) 0.4586(6) 0.6016(2) 0.040(2) Uani 1 1 d . . . . .
C10 C 0.6520(7) 0.2297(6) 0.6881(2) 0.041(2) Uani 1 1 d . . . . .
C12 C 0.2926(7) 0.2237(6) 0.7011(2) 0.044(3) Uani 1 1 d . . . . .
H12 H 0.2622 0.1800 0.7096 0.052 Uiso 1 1 calc R U . . .
C14 C 0.1968(6) 0.3130(6) 0.5899(2) 0.038(2) Uani 1 1 d . . . . .
H14 H 0.1712 0.3242 0.5711 0.046 Uiso 1 1 calc R U . . .
C16 C 0.5333(7) 0.4628(6) 0.5484(2) 0.039(2) Uani 1 1 d . . . . .
C18 C 0.4516(6) 0.5369(5) 0.64826(19) 0.038(2) Uani 1 1 d . . . . .
H18 H 0.4554 0.5125 0.6291 0.045 Uiso 1 1 calc R U . . .
C20 C 0.7081(6) 0.1617(6) 0.5985(2) 0.040(2) Uani 1 1 d . . . . .
N7 N 0.3914(5) 0.1442(4) 0.58025(19) 0.0381(19) Uani 1 1 d . . . . .
C22 C 0.7452(6) 0.3087(6) 0.5629(2) 0.041(2) Uani 1 1 d . . . . .
C24 C 0.7314(7) 0.2160(8) 0.6992(3) 0.057(3) Uani 1 1 d . . . . .
H24 H 0.7482 0.1621 0.7042 0.068 Uiso 1 1 calc R U . . .
N3 N 0.3092(6) 0.3646(5) 0.69079(18) 0.043(2) Uani 1 1 d . . . . .
C26 C -0.0513(7) 0.6139(6) 0.7440(2) 0.046(3) Uani 1 1 d . . . . .
C28 C 0.6390(7) 0.2239(6) 0.5923(2) 0.041(2) Uani 1 1 d . . . . .
H28 H 0.6375 0.2636 0.6082 0.049 Uiso 1 1 calc R U . . .
C30 C 0.3989(7) 0.5018(6) 0.5589(2) 0.044(3) Uani 1 1 d . . . . .
C32 C 0.3368(7) 0.5035(7) 0.6774(2) 0.049(3) Uani 1 1 d . . . . .
H32 H 0.3209 0.5596 0.6769 0.059 Uiso 1 1 calc R U . . .
C34 C 0.7609(6) 0.3585(7) 0.6953(2) 0.046(3) Uani 1 1 d . . . . .
H34 H 0.7983 0.4040 0.6966 0.056 Uiso 1 1 calc R U . . .
C36 C 0.5434(6) 0.5393(5) 0.6600(2) 0.039(2) Uani 1 1 d . . . . .
H36 H 0.5429 0.5735 0.6774 0.046 Uiso 1 1 calc R U . . .
C38 C 0.2638(6) 0.3080(7) 0.7043(2) 0.042(2) Uani 1 1 d . . . . .
C40 C 0.4122(6) 0.6216(6) 0.6447(2) 0.042(3) Uani 1 1 d . . . . .
C42 C -0.0853(8) 0.5964(6) 0.7701(2) 0.055(3) Uani 1 1 d . . . . .
H42 H -0.1454 0.5947 0.7721 0.066 Uiso 1 1 calc R U . . .
C44 C 0.1275(7) 0.2797(6) 0.6082(2) 0.044(3) Uani 1 1 d . . . . .
C46 C 0.1386(8) 0.4952(7) 0.6266(3) 0.057(3) Uani 1 1 d . . . . .
H46 H 0.1691 0.4820 0.6432 0.069 Uiso 1 1 calc R U . . .
C48 C 0.7753(7) 0.3620(6) 0.5824(2) 0.049(3) Uani 1 1 d . . . . .
H48 H 0.7402 0.3772 0.5977 0.058 Uiso 1 1 calc R U . . .
C50 C 0.2310(6) 0.3943(5) 0.6010(2) 0.036(2) Uani 1 1 d . . . . .
H50 H 0.2477 0.3844 0.6210 0.043 Uiso 1 1 calc R U . . .
C52 C 0.5996(7) 0.4007(6) 0.5507(2) 0.042(3) Uani 1 1 d . . . . .
H52 H 0.6532 0.4095 0.5420 0.050 Uiso 1 1 calc R U . . .
C54 C 0.7870(8) 0.2809(7) 0.7030(3) 0.059(3) Uani 1 1 d . . . . .
H54 H 0.8419 0.2723 0.7107 0.071 Uiso 1 1 calc R U . . .
C56 C 0.4507(6) 0.0874(5) 0.5784(2) 0.038(2) Uani 1 1 d . . . . .
C58 C 0.3813(7) 0.1212(6) 0.6856(2) 0.043(3) Uani 1 1 d . . . . .
H58 H 0.3961 0.1021 0.7049 0.051 Uiso 1 1 calc R U . . .
C60 C 0.6767(7) 0.3681(6) 0.6855(2) 0.041(2) Uani 1 1 d . . . . .
C62 C 0.7990(9) 0.0982(8) 0.6327(3) 0.068(4) Uani 1 1 d . . . . .
H62 H 0.8191 0.0944 0.6514 0.081 Uiso 1 1 calc R U . . .
C64 C 0.1199(7) 0.4829(6) 0.5777(3) 0.051(3) Uani 1 1 d . . . . .
H64 H 0.1357 0.4603 0.5601 0.061 Uiso 1 1 calc R U . . .
C66 C 0.6050(7) 0.5777(6) 0.6396(2) 0.043(3) Uani 1 1 d . . . . .
C68 C 0.2465(6) 0.1825(6) 0.5791(2) 0.051(3) Uani 1 1 d . . . . .
H68 H 0.1881 0.1689 0.5770 0.061 Uiso 1 1 calc R U . . .
C70 C 0.0018(9) 0.2127(8) 0.6421(3) 0.066(3) Uani 1 1 d . . . . .
H70 H -0.0411 0.1896 0.6537 0.079 Uiso 1 1 calc R U . . .
C72 C 0.6498(7) 0.6482(6) 0.6470(3) 0.049(3) Uani 1 1 d . . . . .
H72 H 0.6411 0.6731 0.6648 0.058 Uiso 1 1 calc R U . . .
C74 C 0.4331(8) 0.8064(7) 0.5349(3) 0.057(3) Uani 1 1 d . . . . .
H74 H 0.3831 0.8125 0.5240 0.068 Uiso 1 1 calc R U . . .
C76 C 0.4838(8) 0.5948(7) 0.5322(2) 0.053(3) Uani 1 1 d . . . . .
H76 H 0.4925 0.6454 0.5228 0.064 Uiso 1 1 calc R U . . .
C78 C 0.6445(7) 0.4491(6) 0.6767(2) 0.047(3) Uani 1 1 d . . . . .
H78 H 0.6798 0.4962 0.6775 0.056 Uiso 1 1 calc R U . . .
C80 C -0.0142(7) 0.2261(7) 0.6144(3) 0.062(3) Uani 1 1 d . . . . .
H80 H -0.0683 0.2131 0.6067 0.074 Uiso 1 1 calc R U . . .
C82 C 0.5037(8) -0.0159(7) 0.6941(3) 0.061(3) Uani 1 1 d . . . . .
H82 H 0.4833 0.0087 0.7108 0.073 Uiso 1 1 calc R U . . .
C84 C 0.3126(7) 0.1202(6) 0.5752(2) 0.046(3) Uani 1 1 d . . . . .
C86 C 0.4077(8) 0.5770(7) 0.5446(2) 0.055(3) Uani 1 1 d . . . . .
H86 H 0.3616 0.6146 0.5437 0.066 Uiso 1 1 calc R U . . .
C88 C 0.8780(7) 0.3185(7) 0.5382(3) 0.062(3) Uani 1 1 d . . . . .
H88 H 0.9137 0.3034 0.5230 0.075 Uiso 1 1 calc R U . . .
C90 C 0.5882(7) 0.8201(6) 0.5392(2) 0.046(3) Uani 1 1 d . . . . .
C92 C 0.7084(8) 0.6820(7) 0.6277(3) 0.063(4) Uani 1 1 d . . . . .
H92 H 0.7383 0.7306 0.6325 0.075 Uiso 1 1 calc R U . . .
C94 C 0.5779(7) 0.7908(6) 0.5664(2) 0.048(3) Uani 1 1 d . . . . .
H94 H 0.6274 0.7847 0.5776 0.057 Uiso 1 1 calc R U . . .
C96 C 0.7971(7) 0.2853(7) 0.5404(3) 0.054(3) Uani 1 1 d . . . . .
H96 H 0.7772 0.2473 0.5268 0.065 Uiso 1 1 calc R U . . .
C98 C 0.6559(6) 0.2730(6) 0.5653(2) 0.042(2) Uani 1 1 d . . . . .
H98 H 0.6476 0.2349 0.5491 0.051 Uiso 1 1 calc R U . . .
C100 C 0.5481(8) 0.5362(6) 0.5338(2) 0.050(3) Uani 1 1 d . . . . .
H100 H 0.6015 0.5458 0.5250 0.060 Uiso 1 1 calc R U . . .
C102 C 0.7635(7) 0.8237(7) 0.5429(2) 0.051(3) Uani 1 1 d . . . . .
C104 C 0.6748(8) 0.8299(8) 0.4683(3) 0.061(3) Uani 1 1 d . . . . .
H104 H 0.6742 0.8880 0.4672 0.073 Uiso 1 1 calc R U . . .
C106 C -0.2091(7) 0.6404(8) 0.7226(2) 0.052(3) Uani 1 1 d . . . . .
C108 C 0.2840(7) 0.4423(7) 0.6929(2) 0.049(3) Uani 1 1 d . . . . .
C110 C 0.6798(7) 0.7952(7) 0.4943(2) 0.053(3) Uani 1 1 d . . . . .
C112 C 0.6122(9) 0.9961(8) 0.5168(3) 0.063(3) Uani 1 1 d . . . . .
H112 H 0.5590 0.9751 0.5228 0.075 Uiso 1 1 calc R U . . .
C114 C -0.1472(7) 0.5517(7) 0.6697(3) 0.057(3) Uani 1 1 d . . . . .
H114 H -0.1868 0.5945 0.6664 0.068 Uiso 1 1 calc R U . . .
C116 C 0.3166(7) 0.4821(6) 0.5732(2) 0.044(3) Uani 1 1 d . . . . .
H116 H 0.2704 0.5196 0.5730 0.052 Uiso 1 1 calc R U . . .
C118 C 0.5142(7) 0.8261(7) 0.5231(3) 0.056(3) Uani 1 1 d . . . . .
H118 H 0.5178 0.8435 0.5042 0.067 Uiso 1 1 calc R U . . .
C120 C 0.7421(8) 0.1089(6) 0.5786(3) 0.053(3) Uani 1 1 d . . . . .
H120 H 0.7225 0.1118 0.5598 0.064 Uiso 1 1 calc R U . . .
C122 C -0.1402(8) 0.4865(8) 0.6502(3) 0.057(3) Uani 1 1 d . . . . .
H122 H -0.1756 0.4863 0.6340 0.068 Uiso 1 1 calc R U . . .
C124 C 0.1426(8) 0.2661(7) 0.6367(2) 0.055(3) Uani 1 1 d . . . . .
H124 H 0.1961 0.2802 0.6446 0.066 Uiso 1 1 calc R U . . .
C126 C 0.2785(9) 0.0003(7) 0.6883(3) 0.068(4) Uani 1 1 d . . . . .
H126 H 0.3015 -0.0135 0.7061 0.082 Uiso 1 1 calc R U . . .
C128 C 0.4274(8) 0.7789(6) 0.5618(3) 0.056(3) Uani 1 1 d . . . . .
H128 H 0.3735 0.7656 0.5695 0.067 Uiso 1 1 calc R U . . .
C130 C 0.0800(9) 0.2324(7) 0.6535(3) 0.064(3) Uani 1 1 d . . . . .
H130 H 0.0907 0.2228 0.6728 0.076 Uiso 1 1 calc R U . . .
C132 C 0.4964(8) 0.0239(6) 0.6688(2) 0.053(3) Uani 1 1 d . . . . .
C33 C 0.3113(9) 0.7075(10) 0.6208(3) 0.079(4) Uani 1 1 d . . . . .
H33 H 0.2706 0.7146 0.6063 0.095 Uiso 1 1 calc R U . . .
C67 C 0.0491(6) 0.2590(6) 0.5972(2) 0.049(3) Uani 1 1 d . . . . .
H67 H 0.0382 0.2673 0.5779 0.059 Uiso 1 1 calc R U . . .
C17 C -0.0961(7) 0.5540(7) 0.6940(2) 0.044(3) Uani 1 1 d . . . . .
C69 C 0.7225(8) 0.6461(8) 0.6026(3) 0.061(3) Uani 1 1 d . . . . .
H69 H 0.7629 0.6689 0.5900 0.073 Uiso 1 1 calc R U . . .
C35 C 0.8026(8) 0.0536(7) 0.5856(3) 0.069(4) Uani 1 1 d . . . . .
H35 H 0.8262 0.0194 0.5715 0.082 Uiso 1 1 calc R U . . .
C71 C 0.5010(7) 0.7701(7) 0.5782(3) 0.060(3) Uani 1 1 d . . . . .
H71 H 0.4979 0.7504 0.5969 0.072 Uiso 1 1 calc R U . . .
C9 C 0.4596(7) 0.1109(5) 0.6665(2) 0.045(3) Uani 1 1 d . . . . .
H9 H 0.4407 0.1193 0.6467 0.054 Uiso 1 1 calc R U . . .
C73 C -0.0349(9) 0.5811(7) 0.7936(3) 0.064(3) Uani 1 1 d . . . . .
H73 H -0.0605 0.5692 0.8112 0.076 Uiso 1 1 calc R U . . .
C37 C 0.3516(8) 0.6326(8) 0.6244(3) 0.062(3) Uani 1 1 d . . . . .
H37 H 0.3368 0.5881 0.6126 0.074 Uiso 1 1 calc R U . . .
C75 C 0.6704(9) 0.7854(9) 0.4430(3) 0.070(4) Uani 1 1 d . . . . .
H75 H 0.6677 0.8129 0.4255 0.084 Uiso 1 1 calc R U . . .
C19 C -0.3433(10) 0.5793(11) 0.7346(3) 0.080(4) Uani 1 1 d . . . . .
H19 H -0.3756 0.5312 0.7382 0.097 Uiso 1 1 calc R U . . .
C77 C 0.6798(7) 0.7103(7) 0.4948(3) 0.059(3) Uani 1 1 d . . . . .
H77 H 0.6813 0.6833 0.5124 0.071 Uiso 1 1 calc R U . . .
C39 C 0.2146(8) 0.4667(8) 0.7090(3) 0.060(3) Uani 1 1 d . . . . .
H39 H 0.1993 0.5229 0.7102 0.072 Uiso 1 1 calc R U . . .
C79 C 0.9065(8) 0.3729(7) 0.5578(3) 0.058(3) Uani 1 1 d . . . . .
H79 H 0.9617 0.3958 0.5558 0.069 Uiso 1 1 calc R U . . .
C5 C -0.0396(8) 0.4878(7) 0.6977(3) 0.054(3) Uani 1 1 d . . . . .
H5 H -0.0038 0.4864 0.7138 0.064 Uiso 1 1 calc R U . . .
C81 C 0.6777(8) 0.6629(8) 0.4705(3) 0.062(3) Uani 1 1 d . . . . .
H81 H 0.6813 0.6050 0.4718 0.074 Uiso 1 1 calc R U . . .
C41 C -0.2532(9) 0.7147(9) 0.7220(2) 0.068(4) Uani 1 1 d . . . . .
H41 H -0.2229 0.7633 0.7176 0.082 Uiso 1 1 calc R U . . .
C83 C -0.3835(10) 0.6550(13) 0.7346(3) 0.088(5) Uani 1 1 d . . . . .
H83 H -0.4419 0.6600 0.7394 0.105 Uiso 1 1 calc R U . . .
C21 C 0.6968(11) 1.1094(11) 0.4982(3) 0.081(5) Uani 1 1 d . . . . .
H21 H 0.7010 1.1636 0.4911 0.097 Uiso 1 1 calc R U . . .
C85 C -0.2580(8) 0.5731(8) 0.7297(3) 0.059(3) Uani 1 1 d . . . . .
H85 H -0.2315 0.5210 0.7311 0.071 Uiso 1 1 calc R U . . .
C43 C 0.6702(8) 0.7006(9) 0.4443(3) 0.066(4) Uani 1 1 d . . . . .
H43 H 0.6650 0.6687 0.4278 0.079 Uiso 1 1 calc R U . . .
C87 C 0.3097(8) 0.0674(7) 0.6741(3) 0.054(3) Uani 1 1 d . . . . .
C11 C 0.4292(9) 0.6865(7) 0.6619(3) 0.073(4) Uani 1 1 d . . . . .
H11 H 0.4699 0.6807 0.6765 0.087 Uiso 1 1 calc R U . . .
C89 C 0.0395(8) 0.6138(8) 0.7423(3) 0.064(3) Uani 1 1 d . . . . .
H89 H 0.0659 0.6235 0.7247 0.077 Uiso 1 1 calc R U . . .
C45 C 0.6208(8) 0.5421(7) 0.6138(2) 0.052(3) Uani 1 1 d . . . . .
H45 H 0.5919 0.4932 0.6087 0.062 Uiso 1 1 calc R U . . .
C91 C -0.0707(9) 0.7178(6) 0.7011(3) 0.058(3) Uani 1 1 d . . . . .
C23 C 0.0716(9) 0.5507(8) 0.6282(3) 0.071(4) Uani 1 1 d . . . . .
H23 H 0.0539 0.5724 0.6458 0.085 Uiso 1 1 calc R U . . .
C93 C 0.7729(8) 0.8503(7) 0.5705(3) 0.056(3) Uani 1 1 d . . . . .
H93 H 0.7284 0.8809 0.5789 0.067 Uiso 1 1 calc R U . . .
C47 C -0.0833(8) 0.4236(7) 0.6541(3) 0.059(3) Uani 1 1 d . . . . .
H47 H -0.0772 0.3812 0.6407 0.070 Uiso 1 1 calc R U . . .
C95 C 0.8296(9) 0.0466(8) 0.6124(4) 0.078(4) Uani 1 1 d . . . . .
H95 H 0.8701 0.0057 0.6171 0.093 Uiso 1 1 calc R U . . .
C3 C 0.5687(11) -0.1302(8) 0.6710(4) 0.085(4) Uani 1 1 d . . . . .
H3 H 0.5936 -0.1831 0.6717 0.102 Uiso 1 1 calc R U . . .
C97 C 0.4365(8) 0.0063(7) 0.5713(3) 0.060(3) Uani 1 1 d . . . . .
H97 H 0.4820 -0.0318 0.5699 0.072 Uiso 1 1 calc R U . . .
C49 C 0.8577(8) 0.3950(7) 0.5802(3) 0.055(3) Uani 1 1 d . . . . .
H49 H 0.8788 0.4318 0.5940 0.066 Uiso 1 1 calc R U . . .
C99 C -0.0356(8) 0.4245(7) 0.6783(2) 0.058(3) Uani 1 1 d . . . . .
H99 H 0.0018 0.3800 0.6818 0.069 Uiso 1 1 calc R U . . .
C25 C 0.0547(8) 0.5396(8) 0.5789(3) 0.071(4) Uani 1 1 d . . . . .
H25 H 0.0259 0.5549 0.5623 0.085 Uiso 1 1 calc R U . . .
C101 C 0.6191(12) 1.0790(9) 0.5078(3) 0.079(4) Uani 1 1 d . . . . .
H101 H 0.5707 1.1137 0.5084 0.095 Uiso 1 1 calc R U . . .
C51 C 0.1925(7) 0.3267(8) 0.7210(2) 0.058(3) Uani 1 1 d . . . . .
H51 H 0.1620 0.2847 0.7304 0.070 Uiso 1 1 calc R U . . .
C103 C 0.5252(12) -0.0144(8) 0.6447(3) 0.091(5) Uani 1 1 d . . . . .
H103 H 0.5208 0.0130 0.6272 0.109 Uiso 1 1 calc R U . . .
C13 C 0.3305(11) 0.7707(9) 0.6383(4) 0.087(5) Uani 1 1 d . . . . .
H13 H 0.3026 0.8219 0.6360 0.104 Uiso 1 1 calc R U . . .
C105 C 0.0315(9) 0.5736(8) 0.6038(4) 0.077(4) Uani 1 1 d . . . . .
H105 H -0.0126 0.6133 0.6043 0.093 Uiso 1 1 calc R U . . .
C53 C -0.3379(11) 0.7200(14) 0.7275(3) 0.093(6) Uani 1 1 d . . . . .
H53 H -0.3651 0.7718 0.7263 0.112 Uiso 1 1 calc R U . . .
C107 C 0.6847(9) 0.9452(7) 0.5167(3) 0.058(3) Uani 1 1 d . . . . .
C27 C 0.6787(8) 0.5769(8) 0.5953(3) 0.056(3) Uani 1 1 d . . . . .
H27 H 0.6878 0.5526 0.5775 0.068 Uiso 1 1 calc R U . . .
C109 C -0.0625(11) 0.7309(9) 0.6721(3) 0.090(5) Uani 1 1 d . . . . .
H109 H -0.0762 0.6874 0.6597 0.108 Uiso 1 1 calc R U . . .
C55 C 0.3547(9) -0.0163(8) 0.5665(4) 0.089(5) Uani 1 1 d . . . . .
H55 H 0.3416 -0.0719 0.5625 0.106 Uiso 1 1 calc R U . . .
C111 C 0.7591(10) 0.9794(9) 0.5079(3) 0.074(4) Uani 1 1 d . . . . .
H111 H 0.8088 0.9463 0.5080 0.089 Uiso 1 1 calc R U . . .
C7 C 0.7663(10) 1.0600(8) 0.4990(3) 0.066(4) Uani 1 1 d . . . . .
H7 H 0.8201 1.0808 0.4934 0.079 Uiso 1 1 calc R U . . .
C113 C 0.2134(10) -0.0475(8) 0.6769(4) 0.082(5) Uani 1 1 d . . . . .
H113 H 0.1913 -0.0925 0.6872 0.099 Uiso 1 1 calc R U . . .
C57 C 0.3875(9) 0.7615(9) 0.6583(4) 0.089(5) Uani 1 1 d . . . . .
H57 H 0.4004 0.8061 0.6704 0.107 Uiso 1 1 calc R U . . .
C115 C 0.0890(9) 0.5999(8) 0.7653(3) 0.073(4) Uani 1 1 d . . . . .
H115 H 0.1490 0.6018 0.7633 0.088 Uiso 1 1 calc R U . . .
C29 C 0.8337(10) 0.7816(12) 0.5327(3) 0.102(6) Uani 1 1 d . . . . .
H29 H 0.8315 0.7617 0.5140 0.123 Uiso 1 1 calc R U . . .
C117 C 0.8456(8) 0.8335(8) 0.5859(3) 0.065(3) Uani 1 1 d . . . . .
H117 H 0.8494 0.8537 0.6046 0.078 Uiso 1 1 calc R U . . .
B1 B 0.6801(9) 0.8460(8) 0.5239(3) 0.048(3) Uani 1 1 d . . . . .
C59 C 0.2907(9) 0.0412(8) 0.5675(4) 0.087(5) Uani 1 1 d . . . . .
H59 H 0.2336 0.0271 0.5631 0.104 Uiso 1 1 calc R U . . .
B2 B -0.1059(9) 0.6312(8) 0.7158(3) 0.047(3) Uani 1 1 d . . . . .
C119 C 0.5598(14) -0.0905(9) 0.6458(3) 0.108(7) Uani 1 1 d . . . . .
H119 H 0.5779 -0.1165 0.6290 0.130 Uiso 1 1 calc R U . . .
C15 C 0.9123(10) 0.7888(10) 0.5753(4) 0.093(5) Uani 1 1 d . . . . .
H15 H 0.9598 0.7741 0.5865 0.111 Uiso 1 1 calc R U . . .
C121 C 0.2721(8) 0.0857(8) 0.6484(3) 0.067(4) Uani 1 1 d . . . . .
H121 H 0.2901 0.1323 0.6380 0.080 Uiso 1 1 calc R U . . .
C61 C -0.0423(9) 0.7832(7) 0.7182(3) 0.067(3) Uani 1 1 d . . . . .
H61 H -0.0415 0.7749 0.7379 0.080 Uiso 1 1 calc R U . . .
C123 C 0.0556(9) 0.5835(8) 0.7910(3) 0.073(4) Uani 1 1 d . . . . .
H123 H 0.0913 0.5739 0.8067 0.088 Uiso 1 1 calc R U . . .
C31 C 0.5421(9) -0.0935(8) 0.6947(4) 0.082(5) Uani 1 1 d . . . . .
H31 H 0.5494 -0.1206 0.7121 0.098 Uiso 1 1 calc R U . . .
C125 C 0.9069(12) 0.7671(15) 0.5482(4) 0.142(10) Uani 1 1 d . . . . .
H125 H 0.9541 0.7412 0.5395 0.171 Uiso 1 1 calc R U . . .
C63 C -0.0154(12) 0.8584(9) 0.7082(4) 0.102(6) Uani 1 1 d . . . . .
H63 H 0.0005 0.9007 0.7208 0.122 Uiso 1 1 calc R U . . .
C127 C 0.1679(8) 0.4075(8) 0.7234(3) 0.061(3) Uani 1 1 d . . . . .
H127 H 0.1203 0.4224 0.7345 0.073 Uiso 1 1 calc R U . . .
C2 C -0.0347(14) 0.8055(11) 0.6607(4) 0.130(8) Uani 1 1 d . . . . .
H2 H -0.0308 0.8128 0.6410 0.156 Uiso 1 1 calc R U . . .
C129 C 0.2078(11) 0.0355(12) 0.6378(4) 0.097(5) Uani 1 1 d . . . . .
H129 H 0.1816 0.0485 0.6204 0.117 Uiso 1 1 calc R U . . .
C65 C -0.0123(14) 0.8709(10) 0.6797(4) 0.116(7) Uani 1 1 d . . . . .
H65 H 0.0046 0.9226 0.6725 0.139 Uiso 1 1 calc R U . . .
C131 C 0.1828(11) -0.0305(11) 0.6520(4) 0.090(5) Uani 1 1 d . . . . .
H131 H 0.1419 -0.0661 0.6438 0.108 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy2 Cl2 2.640(3) . ?
Dy2 O1 2.255(6) . ?
Dy2 N12 2.624(7) . ?
Dy2 N8 2.637(8) . ?
Dy2 O2 2.255(7) . ?
Dy2 N10 2.648(7) . ?
Dy2 N11 2.684(8) . ?
Dy2 N9 2.629(7) . ?
Dy2 N7 2.621(7) . ?
Dy1 Cl1 2.663(3) . ?
Dy1 O1 2.274(6) . ?
Dy1 N4 2.621(8) . ?
Dy1 O2 2.236(7) . ?
Dy1 N5 2.633(8) . ?
Dy1 N2 2.664(9) . ?
Dy1 N1 2.648(7) . ?
Dy1 N6 2.620(8) . ?
Dy1 N3 2.640(9) . ?
O1 O2 1.546(9) . ?
N12 C1 1.285(12) . ?
N12 C28 1.477(12) . ?
N8 C14 1.490(11) . ?
N8 C68 1.273(12) . ?
N4 C18 1.473(12) . ?
N4 C32 1.234(13) . ?
N5 C36 1.498(12) . ?
N5 C78 1.259(13) . ?
N2 C12 1.267(13) . ?
N2 C58 1.488(13) . ?
N1 C4 1.275(13) . ?
N1 C9 1.489(12) . ?
N10 C16 1.341(13) . ?
N10 C30 1.325(13) . ?
N6 C10 1.345(13) . ?
N6 C60 1.350(13) . ?
C1 H1 0.9500 . ?
C1 C56 1.490(13) . ?
N11 C52 1.288(12) . ?
N11 C98 1.482(12) . ?
N9 C50 1.486(12) . ?
N9 C116 1.276(13) . ?
C4 H4 0.9500 . ?
C4 C10 1.456(14) . ?
C6 H6 0.9500 . ?
C6 C20 1.366(14) . ?
C6 C62 1.403(17) . ?
C8 C46 1.388(15) . ?
C8 C50 1.506(13) . ?
C8 C64 1.379(15) . ?
C10 C24 1.374(15) . ?
C12 H12 0.9500 . ?
C12 C38 1.457(15) . ?
C14 H14 1.0000 . ?
C14 C44 1.499(14) . ?
C14 C50 1.527(13) . ?
C16 C52 1.459(14) . ?
C16 C100 1.407(14) . ?
C18 H18 1.0000 . ?
C18 C36 1.550(14) . ?
C18 C40 1.525(13) . ?
C20 C28 1.517(14) . ?
C20 C120 1.389(15) . ?
N7 C56 1.318(12) . ?
N7 C84 1.322(13) . ?
C22 C48 1.360(14) . ?
C22 C96 1.401(14) . ?
C22 C98 1.525(14) . ?
C24 H24 0.9500 . ?
C24 C54 1.386(16) . ?
N3 C38 1.334(13) . ?
N3 C108 1.333(13) . ?
C26 C42 1.384(16) . ?
C26 C89 1.430(15) . ?
C26 B2 1.620(17) . ?
C28 H28 1.0000 . ?
C28 C98 1.541(14) . ?
C30 C86 1.412(15) . ?
C30 C116 1.497(15) . ?
C32 H32 0.9500 . ?
C32 C108 1.495(15) . ?
C34 H34 0.9500 . ?
C34 C54 1.382(16) . ?
C34 C60 1.414(14) . ?
C36 H36 1.0000 . ?
C36 C66 1.512(15) . ?
C38 C51 1.410(15) . ?
C40 C37 1.372(16) . ?
C40 C11 1.366(15) . ?
C42 H42 0.9500 . ?
C42 C73 1.397(17) . ?
C44 C124 1.399(15) . ?
C44 C67 1.382(15) . ?
C46 H46 0.9500 . ?
C46 C23 1.393(17) . ?
C48 H48 0.9500 . ?
C48 C49 1.408(16) . ?
C50 H50 1.0000 . ?
C52 H52 0.9500 . ?
C54 H54 0.9500 . ?
C56 C97 1.385(14) . ?
C58 H58 1.0000 . ?
C58 C9 1.540(15) . ?
C58 C87 1.531(15) . ?
C60 C78 1.478(14) . ?
C62 H62 0.9500 . ?
C62 C95 1.37(2) . ?
C64 H64 0.9500 . ?
C64 C25 1.383(16) . ?
C66 C72 1.395(15) . ?
C66 C45 1.384(15) . ?
C68 H68 0.9500 . ?
C68 C84 1.467(14) . ?
C70 H70 0.9500 . ?
C70 C80 1.365(18) . ?
C70 C130 1.383(18) . ?
C72 H72 0.9500 . ?
C72 C92 1.416(17) . ?
C74 H74 0.9500 . ?
C74 C118 1.430(17) . ?
C74 C128 1.364(16) . ?
C76 H76 0.9500 . ?
C76 C86 1.368(16) . ?
C76 C100 1.395(16) . ?
C78 H78 0.9500 . ?
C80 H80 0.9500 . ?
C80 C67 1.396(15) . ?
C82 H82 0.9500 . ?
C82 C132 1.376(16) . ?
C82 C31 1.404(17) . ?
C84 C59 1.386(15) . ?
C86 H86 0.9500 . ?
C88 H88 0.9500 . ?
C88 C96 1.387(15) . ?
C88 C79 1.366(16) . ?
C90 C94 1.390(14) . ?
C90 C118 1.399(15) . ?
C90 B1 1.674(17) . ?
C92 H92 0.9500 . ?
C92 C69 1.353(17) . ?
C94 H94 0.9500 . ?
C94 C71 1.375(15) . ?
C96 H96 0.9500 . ?
C98 H98 1.0000 . ?
C100 H100 0.9500 . ?
C102 C93 1.394(16) . ?
C102 C29 1.390(18) . ?
C102 B1 1.636(17) . ?
C104 H104 0.9500 . ?
C104 C110 1.366(16) . ?
C104 C75 1.410(17) . ?
C106 C41 1.399(16) . ?
C106 C85 1.383(17) . ?
C106 B2 1.662(17) . ?
C108 C39 1.394(16) . ?
C110 C77 1.388(16) . ?
C110 B1 1.640(17) . ?
C112 H112 0.9500 . ?
C112 C101 1.424(18) . ?
C112 C107 1.411(18) . ?
C114 H114 0.9500 . ?
C114 C122 1.420(16) . ?
C114 C17 1.411(16) . ?
C116 H116 0.9500 . ?
C118 H118 0.9500 . ?
C120 H120 0.9500 . ?
C120 C35 1.353(16) . ?
C122 H122 0.9500 . ?
C122 C47 1.376(17) . ?
C124 H124 0.9500 . ?
C124 C130 1.383(16) . ?
C126 H126 0.9500 . ?
C126 C87 1.380(17) . ?
C126 C113 1.399(19) . ?
C128 H128 0.9500 . ?
C128 C71 1.404(17) . ?
C130 H130 0.9500 . ?
C132 C9 1.538(13) . ?
C132 C103 1.384(17) . ?
C33 H33 0.9500 . ?
C33 C37 1.389(18) . ?
C33 C13 1.36(2) . ?
C67 H67 0.9500 . ?
C17 C5 1.411(15) . ?
C17 B2 1.642(16) . ?
C69 H69 0.9500 . ?
C69 C27 1.369(17) . ?
C35 H35 0.9500 . ?
C35 C95 1.35(2) . ?
C71 H71 0.9500 . ?
C9 H9 1.0000 . ?
C73 H73 0.9500 . ?
C73 C123 1.429(19) . ?
C37 H37 0.9500 . ?
C75 H75 0.9500 . ?
C75 C43 1.387(19) . ?
C19 H19 0.9500 . ?
C19 C83 1.39(2) . ?
C19 C85 1.367(19) . ?
C77 H77 0.9500 . ?
C77 C81 1.393(17) . ?
C39 H39 0.9500 . ?
C39 C127 1.395(17) . ?
C79 H79 0.9500 . ?
C79 C49 1.364(16) . ?
C5 H5 0.9500 . ?
C5 C99 1.391(15) . ?
C81 H81 0.9500 . ?
C81 C43 1.398(18) . ?
C41 H41 0.9500 . ?
C41 C53 1.36(2) . ?
C83 H83 0.9500 . ?
C83 C53 1.32(2) . ?
C21 H21 0.9500 . ?
C21 C101 1.40(2) . ?
C21 C7 1.36(2) . ?
C85 H85 0.9500 . ?
C43 H43 0.9500 . ?
C87 C121 1.394(18) . ?
C11 H11 0.9500 . ?
C11 C57 1.399(18) . ?
C89 H89 0.9500 . ?
C89 C115 1.365(18) . ?
C45 H45 0.9500 . ?
C45 C27 1.390(16) . ?
C91 C109 1.409(18) . ?
C91 B2 1.673(17) . ?
C91 C61 1.414(16) . ?
C23 H23 0.9500 . ?
C23 C105 1.38(2) . ?
C93 H93 0.9500 . ?
C93 C117 1.388(17) . ?
C47 H47 0.9500 . ?
C47 C99 1.375(16) . ?
C95 H95 0.9500 . ?
C3 H3 0.9500 . ?
C3 C119 1.37(2) . ?
C3 C31 1.35(2) . ?
C97 H97 0.9500 . ?
C97 C55 1.358(18) . ?
C49 H49 0.9500 . ?
C99 H99 0.9500 . ?
C25 H25 0.9500 . ?
C25 C105 1.36(2) . ?
C101 H101 0.9500 . ?
C51 H51 0.9500 . ?
C51 C127 1.379(17) . ?
C103 H103 0.9500 . ?
C103 C119 1.36(2) . ?
C13 H13 0.9500 . ?
C13 C57 1.32(2) . ?
C105 H105 0.9500 . ?
C53 H53 0.9500 . ?
C107 C111 1.362(18) . ?
C107 B1 1.658(17) . ?
C27 H27 0.9500 . ?
C109 H109 0.9500 . ?
C109 C2 1.40(2) . ?
C55 H55 0.9500 . ?
C55 C59 1.378(18) . ?
C111 H111 0.9500 . ?
C111 C7 1.389(18) . ?
C7 H7 0.9500 . ?
C113 H113 0.9500 . ?
C113 C131 1.31(2) . ?
C57 H57 0.9500 . ?
C115 H115 0.9500 . ?
C115 C123 1.361(19) . ?
C29 H29 0.9500 . ?
C29 C125 1.39(2) . ?
C117 H117 0.9500 . ?
C117 C15 1.376(19) . ?
C59 H59 0.9500 . ?
C119 H119 0.9500 . ?
C15 H15 0.9500 . ?
C15 C125 1.34(2) . ?
C121 H121 0.9500 . ?
C121 C129 1.40(2) . ?
C61 H61 0.9500 . ?
C61 C63 1.382(19) . ?
C123 H123 0.9500 . ?
C31 H31 0.9500 . ?
C125 H125 0.9500 . ?
C63 H63 0.9500 . ?
C63 C65 1.38(2) . ?
C127 H127 0.9500 . ?
C2 H2 0.9500 . ?
C2 C65 1.44(2) . ?
C129 H129 0.9500 . ?
C129 C131 1.33(2) . ?
C65 H65 0.9500 . ?
C131 H131 0.9500 . ?

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
Cl2 Dy2 N10 77.70(18) . . ?
Cl2 Dy2 N11 79.93(18) . . ?
O1 Dy2 Cl2 161.58(18) . . ?
O1 Dy2 N12 81.1(2) . . ?
O1 Dy2 N8 115.8(2) . . ?
O1 Dy2 N10 89.7(2) . . ?
O1 Dy2 N11 82.2(2) . . ?
O1 Dy2 N9 91.5(2) . . ?
O1 Dy2 N7 116.6(3) . . ?
N12 Dy2 Cl2 93.76(18) . . ?
N12 Dy2 N8 120.9(2) . . ?
N12 Dy2 N10 120.7(3) . . ?
N12 Dy2 N11 59.7(2) . . ?
N12 Dy2 N9 172.3(3) . . ?
N8 Dy2 Cl2 82.05(19) . . ?
N8 Dy2 N10 115.8(3) . . ?
N8 Dy2 N11 161.9(2) . . ?
O2 Dy2 Cl2 158.22(18) . . ?
O2 Dy2 O1 40.1(2) . . ?
O2 Dy2 N12 89.7(2) . . ?
O2 Dy2 N8 77.7(2) . . ?
O2 Dy2 N10 118.6(2) . . ?
O2 Dy2 N11 119.9(2) . . ?
O2 Dy2 N9 83.3(3) . . ?
O2 Dy2 N7 87.9(3) . . ?
N10 Dy2 N11 61.0(3) . . ?
N9 Dy2 Cl2 93.88(19) . . ?
N9 Dy2 N8 60.9(2) . . ?
N9 Dy2 N10 60.7(2) . . ?
N9 Dy2 N11 121.4(2) . . ?
N7 Dy2 Cl2 75.1(2) . . ?
N7 Dy2 N12 61.2(2) . . ?
N7 Dy2 N8 60.7(2) . . ?
N7 Dy2 N10 152.8(3) . . ?
N7 Dy2 N11 112.9(2) . . ?
N7 Dy2 N9 121.5(2) . . ?
Cl1 Dy1 N2 84.7(2) . . ?
O1 Dy1 Cl1 158.09(18) . . ?
O1 Dy1 N4 82.8(2) . . ?
O1 Dy1 N5 76.5(3) . . ?
O1 Dy1 N2 116.8(3) . . ?
O1 Dy1 N1 94.6(2) . . ?
O1 Dy1 N6 92.1(2) . . ?
O1 Dy1 N3 119.0(3) . . ?
N4 Dy1 Cl1 90.16(19) . . ?
N4 Dy1 N5 61.0(3) . . ?
N4 Dy1 N2 119.8(3) . . ?
N4 Dy1 N1 176.8(3) . . ?
N4 Dy1 N3 60.8(3) . . ?
O2 Dy1 Cl1 161.54(19) . . ?
O2 Dy1 O1 40.1(2) . . ?
O2 Dy1 N4 91.7(3) . . ?
O2 Dy1 N5 114.9(3) . . ?
O2 Dy1 N2 78.5(3) . . ?
O2 Dy1 N1 85.1(3) . . ?
O2 Dy1 N6 120.1(2) . . ?
O2 Dy1 N3 90.8(3) . . ?
N5 Dy1 Cl1 81.9(2) . . ?
N5 Dy1 N2 166.6(3) . . ?
N5 Dy1 N1 120.3(3) . . ?
N5 Dy1 N3 116.2(3) . . ?
N1 Dy1 Cl1 92.93(19) . . ?
N1 Dy1 N2 59.8(3) . . ?
N6 Dy1 Cl1 73.90(18) . . ?
N6 Dy1 N4 121.3(3) . . ?
N6 Dy1 N5 60.9(3) . . ?
N6 Dy1 N2 114.5(3) . . ?
N6 Dy1 N1 60.6(2) . . ?
N6 Dy1 N3 148.0(3) . . ?
N3 Dy1 Cl1 74.2(2) . . ?
N3 Dy1 N2 60.1(3) . . ?
N3 Dy1 N1 119.3(3) . . ?
Dy2 O1 Dy1 138.5(3) . . ?
O2 O1 Dy2 69.9(3) . . ?
O2 O1 Dy1 68.6(3) . . ?
C1 N12 Dy2 121.7(6) . . ?
C1 N12 C28 120.5(8) . . ?
C28 N12 Dy2 117.0(6) . . ?
C14 N8 Dy2 123.8(5) . . ?
C68 N8 Dy2 121.0(6) . . ?
C68 N8 C14 114.6(8) . . ?
C18 N4 Dy1 117.1(6) . . ?
C32 N4 Dy1 123.2(7) . . ?
C32 N4 C18 119.6(9) . . ?
Dy1 O2 Dy2 141.2(3) . . ?
O1 O2 Dy2 70.0(3) . . ?
O1 O2 Dy1 71.3(3) . . ?
C36 N5 Dy1 123.5(6) . . ?
C78 N5 Dy1 122.4(7) . . ?
C78 N5 C36 113.5(8) . . ?
C12 N2 Dy1 121.3(7) . . ?
C12 N2 C58 113.0(9) . . ?
C58 N2 Dy1 124.4(6) . . ?
C4 N1 Dy1 121.7(7) . . ?
C4 N1 C9 120.2(8) . . ?
C9 N1 Dy1 118.0(6) . . ?
C16 N10 Dy2 121.5(6) . . ?
C30 N10 Dy2 121.7(7) . . ?
C30 N10 C16 116.3(8) . . ?
C10 N6 Dy1 121.3(6) . . ?
C10 N6 C60 116.9(8) . . ?
C60 N6 Dy1 120.4(6) . . ?
N12 C1 H1 120.9 . . ?
N12 C1 C56 118.2(9) . . ?
C56 C1 H1 120.9 . . ?
C52 N11 Dy2 119.9(7) . . ?
C52 N11 C98 117.5(8) . . ?
C98 N11 Dy2 122.1(6) . . ?
C50 N9 Dy2 118.2(5) . . ?
C116 N9 Dy2 123.4(7) . . ?
C116 N9 C50 118.3(8) . . ?
N1 C4 H4 120.5 . . ?
N1 C4 C10 118.9(9) . . ?
C10 C4 H4 120.5 . . ?
C20 C6 H6 119.7 . . ?
C20 C6 C62 120.5(12) . . ?
C62 C6 H6 119.7 . . ?
C46 C8 C50 120.6(10) . . ?
C64 C8 C46 117.1(10) . . ?
C64 C8 C50 122.3(10) . . ?
N6 C10 C4 115.5(9) . . ?
N6 C10 C24 123.2(10) . . ?
C24 C10 C4 121.3(10) . . ?
N2 C12 H12 120.6 . . ?
N2 C12 C38 118.9(9) . . ?
C38 C12 H12 120.6 . . ?
N8 C14 H14 107.2 . . ?
N8 C14 C44 113.7(8) . . ?
N8 C14 C50 109.5(7) . . ?
C44 C14 H14 107.2 . . ?
C44 C14 C50 111.7(8) . . ?
C50 C14 H14 107.2 . . ?
N10 C16 C52 116.2(8) . . ?
N10 C16 C100 123.1(10) . . ?
C100 C16 C52 120.7(10) . . ?
N4 C18 H18 106.6 . . ?
N4 C18 C36 108.1(8) . . ?
N4 C18 C40 115.1(8) . . ?
C36 C18 H18 106.6 . . ?
C40 C18 H18 106.6 . . ?
C40 C18 C36 113.3(8) . . ?
C6 C20 C28 117.9(10) . . ?
C6 C20 C120 118.3(10) . . ?
C120 C20 C28 123.8(9) . . ?
C56 N7 Dy2 121.8(6) . . ?
C56 N7 C84 116.2(8) . . ?
C84 N7 Dy2 120.8(6) . . ?
C48 C22 C96 119.7(10) . . ?
C48 C22 C98 120.9(9) . . ?
C96 C22 C98 119.4(9) . . ?
C10 C24 H24 120.1 . . ?
C10 C24 C54 119.9(11) . . ?
C54 C24 H24 120.1 . . ?
C38 N3 Dy1 120.9(7) . . ?
C108 N3 Dy1 119.8(7) . . ?
C108 N3 C38 117.7(9) . . ?
C42 C26 C89 116.0(11) . . ?
C42 C26 B2 125.2(10) . . ?
C89 C26 B2 118.8(10) . . ?
N12 C28 C20 116.9(8) . . ?
N12 C28 H28 107.6 . . ?
N12 C28 C98 103.7(8) . . ?
C20 C28 H28 107.6 . . ?
C20 C28 C98 113.0(8) . . ?
C98 C28 H28 107.6 . . ?
N10 C30 C86 124.7(11) . . ?
N10 C30 C116 115.9(9) . . ?
C86 C30 C116 119.4(10) . . ?
N4 C32 H32 120.8 . . ?
N4 C32 C108 118.3(10) . . ?
C108 C32 H32 120.8 . . ?
C54 C34 H34 121.1 . . ?
C54 C34 C60 117.9(10) . . ?
C60 C34 H34 121.1 . . ?
N5 C36 C18 108.7(8) . . ?
N5 C36 H36 108.0 . . ?
N5 C36 C66 112.1(8) . . ?
C18 C36 H36 108.0 . . ?
C66 C36 C18 112.0(8) . . ?
C66 C36 H36 108.0 . . ?
N3 C38 C12 116.0(9) . . ?
N3 C38 C51 123.2(10) . . ?
C51 C38 C12 120.8(10) . . ?
C37 C40 C18 118.6(10) . . ?
C11 C40 C18 123.9(10) . . ?
C11 C40 C37 117.3(10) . . ?
C26 C42 H42 118.7 . . ?
C26 C42 C73 122.7(12) . . ?
C73 C42 H42 118.7 . . ?
C124 C44 C14 120.1(10) . . ?
C67 C44 C14 121.1(10) . . ?
C67 C44 C124 118.7(11) . . ?
C8 C46 H46 119.0 . . ?
C8 C46 C23 122.1(12) . . ?
C23 C46 H46 119.0 . . ?
C22 C48 H48 119.5 . . ?
C22 C48 C49 121.0(11) . . ?
C49 C48 H48 119.5 . . ?
N9 C50 C8 117.9(8) . . ?
N9 C50 C14 107.8(8) . . ?
N9 C50 H50 106.5 . . ?
C8 C50 C14 111.1(8) . . ?
C8 C50 H50 106.5 . . ?
C14 C50 H50 106.5 . . ?
N11 C52 C16 120.5(9) . . ?
N11 C52 H52 119.7 . . ?
C16 C52 H52 119.7 . . ?
C24 C54 H54 120.6 . . ?
C34 C54 C24 118.7(11) . . ?
C34 C54 H54 120.6 . . ?
N7 C56 C1 115.7(8) . . ?
N7 C56 C97 125.2(9) . . ?
C97 C56 C1 119.1(9) . . ?
N2 C58 H58 108.8 . . ?
N2 C58 C9 108.6(8) . . ?
N2 C58 C87 113.4(9) . . ?
C9 C58 H58 108.8 . . ?
C87 C58 H58 108.8 . . ?
C87 C58 C9 108.2(8) . . ?
N6 C60 C34 123.2(10) . . ?
N6 C60 C78 115.6(9) . . ?
C34 C60 C78 121.0(10) . . ?
C6 C62 H62 120.5 . . ?
C95 C62 C6 118.9(13) . . ?
C95 C62 H62 120.5 . . ?
C8 C64 H64 119.4 . . ?
C8 C64 C25 121.3(12) . . ?
C25 C64 H64 119.4 . . ?
C72 C66 C36 120.1(10) . . ?
C45 C66 C36 121.0(9) . . ?
C45 C66 C72 118.8(10) . . ?
N8 C68 H68 120.6 . . ?
N8 C68 C84 118.8(9) . . ?
C84 C68 H68 120.6 . . ?
C80 C70 H70 119.7 . . ?
C80 C70 C130 120.5(12) . . ?
C130 C70 H70 119.7 . . ?
C66 C72 H72 120.5 . . ?
C66 C72 C92 119.0(11) . . ?
C92 C72 H72 120.5 . . ?
C118 C74 H74 119.9 . . ?
C128 C74 H74 119.9 . . ?
C128 C74 C118 120.2(12) . . ?
C86 C76 H76 121.1 . . ?
C86 C76 C100 117.7(10) . . ?
C100 C76 H76 121.1 . . ?
N5 C78 C60 118.4(9) . . ?
N5 C78 H78 120.8 . . ?
C60 C78 H78 120.8 . . ?
C70 C80 H80 120.1 . . ?
C70 C80 C67 119.8(12) . . ?
C67 C80 H80 120.1 . . ?
C132 C82 H82 120.7 . . ?
C132 C82 C31 118.6(13) . . ?
C31 C82 H82 120.7 . . ?
N7 C84 C68 115.9(8) . . ?
N7 C84 C59 123.8(10) . . ?
C59 C84 C68 120.3(11) . . ?
C30 C86 H86 120.6 . . ?
C76 C86 C30 118.7(11) . . ?
C76 C86 H86 120.6 . . ?
C96 C88 H88 119.8 . . ?
C79 C88 H88 119.8 . . ?
C79 C88 C96 120.3(11) . . ?
C94 C90 C118 116.0(10) . . ?
C94 C90 B1 126.5(10) . . ?
C118 C90 B1 117.4(10) . . ?
C72 C92 H92 119.5 . . ?
C69 C92 C72 121.0(12) . . ?
C69 C92 H92 119.5 . . ?
C90 C94 H94 117.7 . . ?
C71 C94 C90 124.6(11) . . ?
C71 C94 H94 117.7 . . ?
C22 C96 H96 120.5 . . ?
C88 C96 C22 119.0(10) . . ?
C88 C96 H96 120.5 . . ?
N11 C98 C22 115.1(8) . . ?
N11 C98 C28 104.4(8) . . ?
N11 C98 H98 107.4 . . ?
C22 C98 C28 114.8(9) . . ?
C22 C98 H98 107.4 . . ?
C28 C98 H98 107.4 . . ?
C16 C100 H100 120.3 . . ?
C76 C100 C16 119.4(11) . . ?
C76 C100 H100 120.3 . . ?
C93 C102 B1 122.6(10) . . ?
C29 C102 C93 113.7(11) . . ?
C29 C102 B1 123.5(11) . . ?
C110 C104 H104 117.7 . . ?
C110 C104 C75 124.5(13) . . ?
C75 C104 H104 117.7 . . ?
C41 C106 B2 124.0(12) . . ?
C85 C106 C41 114.7(11) . . ?
C85 C106 B2 121.3(11) . . ?
N3 C108 C32 115.8(9) . . ?
N3 C108 C39 123.1(10) . . ?
C39 C108 C32 121.1(10) . . ?
C104 C110 C77 115.5(12) . . ?
C104 C110 B1 125.0(11) . . ?
C77 C110 B1 119.4(11) . . ?
C101 C112 H112 120.1 . . ?
C107 C112 H112 120.1 . . ?
C107 C112 C101 119.8(13) . . ?
C122 C114 H114 119.5 . . ?
C17 C114 H114 119.5 . . ?
C17 C114 C122 121.1(11) . . ?
N9 C116 C30 117.6(9) . . ?
N9 C116 H116 121.2 . . ?
C30 C116 H116 121.2 . . ?
C74 C118 H118 119.7 . . ?
C90 C118 C74 120.7(11) . . ?
C90 C118 H118 119.7 . . ?
C20 C120 H120 119.4 . . ?
C35 C120 C20 121.2(12) . . ?
C35 C120 H120 119.4 . . ?
C114 C122 H122 119.3 . . ?
C47 C122 C114 121.3(12) . . ?
C47 C122 H122 119.3 . . ?
C44 C124 H124 119.8 . . ?
C130 C124 C44 120.3(12) . . ?
C130 C124 H124 119.8 . . ?
C87 C126 H126 119.6 . . ?
C87 C126 C113 120.7(14) . . ?
C113 C126 H126 119.6 . . ?
C74 C128 H128 119.9 . . ?
C74 C128 C71 120.2(12) . . ?
C71 C128 H128 119.9 . . ?
C70 C130 C124 119.9(12) . . ?
C70 C130 H130 120.0 . . ?
C124 C130 H130 120.0 . . ?
C82 C132 C9 122.0(10) . . ?
C82 C132 C103 119.2(10) . . ?
C103 C132 C9 118.8(10) . . ?
C37 C33 H33 120.3 . . ?
C13 C33 H33 120.3 . . ?
C13 C33 C37 119.5(14) . . ?
C44 C67 C80 120.6(11) . . ?
C44 C67 H67 119.7 . . ?
C80 C67 H67 119.7 . . ?
C114 C17 B2 119.2(10) . . ?
C5 C17 C114 116.1(10) . . ?
C5 C17 B2 124.6(10) . . ?
C92 C69 H69 120.0 . . ?
C92 C69 C27 120.0(12) . . ?
C27 C69 H69 120.0 . . ?
C120 C35 H35 119.7 . . ?
C95 C35 C120 120.6(14) . . ?
C95 C35 H35 119.7 . . ?
C94 C71 C128 118.2(11) . . ?
C94 C71 H71 120.9 . . ?
C128 C71 H71 120.9 . . ?
N1 C9 C58 106.5(8) . . ?
N1 C9 C132 115.6(9) . . ?
N1 C9 H9 107.8 . . ?
C58 C9 H9 107.8 . . ?
C132 C9 C58 111.2(9) . . ?
C132 C9 H9 107.8 . . ?
C42 C73 H73 120.3 . . ?
C42 C73 C123 119.3(13) . . ?
C123 C73 H73 120.3 . . ?
C40 C37 C33 121.3(13) . . ?
C40 C37 H37 119.4 . . ?
C33 C37 H37 119.4 . . ?
C104 C75 H75 120.8 . . ?
C43 C75 C104 118.4(13) . . ?
C43 C75 H75 120.8 . . ?
C83 C19 H19 119.6 . . ?
C85 C19 H19 119.6 . . ?
C85 C19 C83 120.8(16) . . ?
C110 C77 H77 118.6 . . ?
C110 C77 C81 122.7(12) . . ?
C81 C77 H77 118.6 . . ?
C108 C39 H39 120.5 . . ?
C108 C39 C127 119.1(11) . . ?
C127 C39 H39 120.5 . . ?
C88 C79 H79 119.2 . . ?
C49 C79 C88 121.5(11) . . ?
C49 C79 H79 119.2 . . ?
C17 C5 H5 119.5 . . ?
C99 C5 C17 121.0(11) . . ?
C99 C5 H5 119.5 . . ?
C77 C81 H81 120.0 . . ?
C77 C81 C43 120.0(13) . . ?
C43 C81 H81 120.0 . . ?
C106 C41 H41 118.7 . . ?
C53 C41 C106 122.5(16) . . ?
C53 C41 H41 118.7 . . ?
C19 C83 H83 121.1 . . ?
C53 C83 C19 117.9(15) . . ?
C53 C83 H83 121.1 . . ?
C101 C21 H21 120.5 . . ?
C7 C21 H21 120.5 . . ?
C7 C21 C101 118.9(15) . . ?
C106 C85 H85 119.0 . . ?
C19 C85 C106 122.0(14) . . ?
C19 C85 H85 119.0 . . ?
C75 C43 C81 118.7(13) . . ?
C75 C43 H43 120.6 . . ?
C81 C43 H43 120.6 . . ?
C126 C87 C58 122.6(12) . . ?
C126 C87 C121 117.0(12) . . ?
C121 C87 C58 120.3(11) . . ?
C40 C11 H11 119.6 . . ?
C40 C11 C57 120.8(12) . . ?
C57 C11 H11 119.6 . . ?
C26 C89 H89 119.2 . . ?
C115 C89 C26 121.5(13) . . ?
C115 C89 H89 119.2 . . ?
C66 C45 H45 119.7 . . ?
C66 C45 C27 120.7(11) . . ?
C27 C45 H45 119.7 . . ?
C109 C91 B2 124.8(11) . . ?
C109 C91 C61 114.9(11) . . ?
C61 C91 B2 120.2(11) . . ?
C46 C23 H23 120.7 . . ?
C105 C23 C46 118.5(13) . . ?
C105 C23 H23 120.7 . . ?
C102 C93 H93 119.1 . . ?
C117 C93 C102 121.8(12) . . ?
C117 C93 H93 119.1 . . ?
C122 C47 H47 121.2 . . ?
C99 C47 C122 117.5(11) . . ?
C99 C47 H47 121.2 . . ?
C62 C95 H95 119.8 . . ?
C35 C95 C62 120.4(13) . . ?
C35 C95 H95 119.8 . . ?
C119 C3 H3 120.2 . . ?
C31 C3 H3 120.2 . . ?
C31 C3 C119 119.6(13) . . ?
C56 C97 H97 121.5 . . ?
C55 C97 C56 117.0(11) . . ?
C55 C97 H97 121.5 . . ?
C48 C49 H49 120.8 . . ?
C79 C49 C48 118.4(11) . . ?
C79 C49 H49 120.8 . . ?
C5 C99 H99 118.6 . . ?
C47 C99 C5 122.9(11) . . ?
C47 C99 H99 118.6 . . ?
C64 C25 H25 119.7 . . ?
C105 C25 C64 120.6(13) . . ?
C105 C25 H25 119.7 . . ?
C112 C101 H101 119.9 . . ?
C21 C101 C112 120.2(15) . . ?
C21 C101 H101 119.9 . . ?
C38 C51 H51 120.7 . . ?
C127 C51 C38 118.5(12) . . ?
C127 C51 H51 120.7 . . ?
C132 C103 H103 119.5 . . ?
C119 C103 C132 120.9(13) . . ?
C119 C103 H103 119.5 . . ?
C33 C13 H13 119.8 . . ?
C57 C13 C33 120.5(14) . . ?
C57 C13 H13 119.8 . . ?
C23 C105 H105 119.8 . . ?
C25 C105 C23 120.3(13) . . ?
C25 C105 H105 119.8 . . ?
C41 C53 H53 119.1 . . ?
C83 C53 C41 121.9(18) . . ?
C83 C53 H53 119.1 . . ?
C112 C107 B1 122.6(11) . . ?
C111 C107 C112 117.0(12) . . ?
C111 C107 B1 120.1(13) . . ?
C69 C27 C45 120.5(12) . . ?
C69 C27 H27 119.8 . . ?
C45 C27 H27 119.8 . . ?
C91 C109 H109 118.6 . . ?
C2 C109 C91 122.7(15) . . ?
C2 C109 H109 118.6 . . ?
C97 C55 H55 120.0 . . ?
C97 C55 C59 120.1(12) . . ?
C59 C55 H55 120.0 . . ?
C107 C111 H111 118.3 . . ?
C107 C111 C7 123.5(15) . . ?
C7 C111 H111 118.3 . . ?
C21 C7 C111 120.4(14) . . ?
C21 C7 H7 119.8 . . ?
C111 C7 H7 119.8 . . ?
C126 C113 H113 119.9 . . ?
C131 C113 C126 120.2(14) . . ?
C131 C113 H113 119.9 . . ?
C11 C57 H57 119.7 . . ?
C13 C57 C11 120.6(15) . . ?
C13 C57 H57 119.7 . . ?
C89 C115 H115 118.7 . . ?
C123 C115 C89 122.5(14) . . ?
C123 C115 H115 118.7 . . ?
C102 C29 H29 118.1 . . ?
C102 C29 C125 123.7(15) . . ?
C125 C29 H29 118.1 . . ?
C93 C117 H117 118.8 . . ?
C15 C117 C93 122.5(13) . . ?
C15 C117 H117 118.8 . . ?
C102 B1 C90 113.2(9) . . ?
C102 B1 C110 111.6(10) . . ?
C102 B1 C107 107.4(10) . . ?
C110 B1 C90 104.3(9) . . ?
C110 B1 C107 108.3(10) . . ?
C107 B1 C90 112.1(10) . . ?
C84 C59 H59 121.2 . . ?
C55 C59 C84 117.6(13) . . ?
C55 C59 H59 121.2 . . ?
C26 B2 C106 111.9(9) . . ?
C26 B2 C17 110.0(9) . . ?
C26 B2 C91 108.7(10) . . ?
C106 B2 C91 109.2(10) . . ?
C17 B2 C106 106.5(10) . . ?
C17 B2 C91 110.6(9) . . ?
C3 C119 H119 119.8 . . ?
C103 C119 C3 120.4(15) . . ?
C103 C119 H119 119.8 . . ?
C117 C15 H15 121.7 . . ?
C125 C15 C117 116.6(15) . . ?
C125 C15 H15 121.7 . . ?
C87 C121 H121 120.1 . . ?
C87 C121 C129 119.9(14) . . ?
C129 C121 H121 120.1 . . ?
C91 C61 H61 117.6 . . ?
C63 C61 C91 124.8(14) . . ?
C63 C61 H61 117.6 . . ?
C73 C123 H123 121.0 . . ?
C115 C123 C73 117.9(13) . . ?
C115 C123 H123 121.0 . . ?
C82 C31 H31 119.4 . . ?
C3 C31 C82 121.3(14) . . ?
C3 C31 H31 119.4 . . ?
C29 C125 H125 119.3 . . ?
C15 C125 C29 121.4(17) . . ?
C15 C125 H125 119.3 . . ?
C61 C63 H63 120.6 . . ?
C65 C63 C61 118.8(16) . . ?
C65 C63 H63 120.6 . . ?
C39 C127 H127 120.8 . . ?
C51 C127 C39 118.3(11) . . ?
C51 C127 H127 120.8 . . ?
C109 C2 H2 120.8 . . ?
C109 C2 C65 118.4(17) . . ?
C65 C2 H2 120.8 . . ?
C121 C129 H129 119.7 . . ?
C131 C129 C121 120.5(16) . . ?
C131 C129 H129 119.7 . . ?
C63 C65 C2 120.1(15) . . ?
C63 C65 H65 119.9 . . ?
C2 C65 H65 119.9 . . ?
C113 C131 C129 121.5(15) . . ?
C113 C131 H131 119.3 . . ?
C129 C131 H131 119.3 . . ?

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
Dy2 O1 O2 Dy1 178.2(3) . . . . ?
Dy2 N12 C1 C56 -7.1(13) . . . . ?
Dy2 N12 C28 C20 173.0(6) . . . . ?
Dy2 N12 C28 C98 -62.0(8) . . . . ?
Dy2 N8 C14 C44 -141.7(7) . . . . ?
Dy2 N8 C14 C50 -16.1(10) . . . . ?
Dy2 N8 C68 C84 10.3(15) . . . . ?
Dy2 N10 C16 C52 -7.2(12) . . . . ?
Dy2 N10 C16 C100 173.2(7) . . . . ?
Dy2 N10 C30 C86 -173.0(8) . . . . ?
Dy2 N10 C30 C116 7.7(12) . . . . ?
Dy2 N11 C52 C16 7.6(13) . . . . ?
Dy2 N11 C98 C22 -160.7(6) . . . . ?
Dy2 N11 C98 C28 -34.0(9) . . . . ?
Dy2 N9 C50 C8 -178.5(7) . . . . ?
Dy2 N9 C50 C14 -51.9(9) . . . . ?
Dy2 N9 C116 C30 -5.8(13) . . . . ?
Dy2 N7 C56 C1 11.1(12) . . . . ?
Dy2 N7 C56 C97 -167.1(9) . . . . ?
Dy2 N7 C84 C68 -16.0(14) . . . . ?
Dy2 N7 C84 C59 166.2(11) . . . . ?
Dy1 O1 O2 Dy2 -178.2(3) . . . . ?
Dy1 N4 C18 C36 -54.5(8) . . . . ?
Dy1 N4 C18 C40 177.7(6) . . . . ?
Dy1 N4 C32 C108 -8.2(15) . . . . ?
Dy1 N5 C36 C18 -11.7(10) . . . . ?
Dy1 N5 C36 C66 -136.0(7) . . . . ?
Dy1 N5 C78 C60 7.9(14) . . . . ?
Dy1 N2 C12 C38 11.9(14) . . . . ?
Dy1 N2 C58 C9 -15.8(12) . . . . ?
Dy1 N2 C58 C87 -136.2(8) . . . . ?
Dy1 N1 C4 C10 -6.2(13) . . . . ?
Dy1 N1 C9 C58 -55.5(9) . . . . ?
Dy1 N1 C9 C132 -179.5(7) . . . . ?
Dy1 N6 C10 C4 15.3(12) . . . . ?
Dy1 N6 C10 C24 -166.3(9) . . . . ?
Dy1 N6 C60 C34 169.9(8) . . . . ?
Dy1 N6 C60 C78 -15.3(12) . . . . ?
Dy1 N3 C38 C12 -15.2(12) . . . . ?
Dy1 N3 C38 C51 164.1(8) . . . . ?
Dy1 N3 C108 C32 14.0(13) . . . . ?
Dy1 N3 C108 C39 -164.0(10) . . . . ?
N12 C1 C56 N7 -2.6(15) . . . . ?
N12 C1 C56 C97 175.7(10) . . . . ?
N12 C28 C98 N11 57.0(9) . . . . ?
N12 C28 C98 C22 -176.1(8) . . . . ?
N8 C14 C44 C124 68.2(12) . . . . ?
N8 C14 C44 C67 -109.5(11) . . . . ?
N8 C14 C50 N9 40.8(10) . . . . ?
N8 C14 C50 C8 171.4(8) . . . . ?
N8 C68 C84 N7 3.7(17) . . . . ?
N8 C68 C84 C59 -178.5(13) . . . . ?
N4 C18 C36 N5 40.0(10) . . . . ?
N4 C18 C36 C66 164.4(8) . . . . ?
N4 C18 C40 C37 -83.0(12) . . . . ?
N4 C18 C40 C11 92.3(13) . . . . ?
N4 C32 C108 N3 -4.1(17) . . . . ?
N4 C32 C108 C39 173.9(12) . . . . ?
N5 C36 C66 C72 -118.0(10) . . . . ?
N5 C36 C66 C45 59.1(13) . . . . ?
N2 C12 C38 N3 2.1(15) . . . . ?
N2 C12 C38 C51 -177.2(10) . . . . ?
N2 C58 C9 N1 42.4(11) . . . . ?
N2 C58 C9 C132 169.1(9) . . . . ?
N2 C58 C87 C126 -125.8(12) . . . . ?
N2 C58 C87 C121 53.1(15) . . . . ?
N1 C4 C10 N6 -5.8(14) . . . . ?
N1 C4 C10 C24 175.7(10) . . . . ?
N10 C16 C52 N11 -0.4(15) . . . . ?
N10 C16 C100 C76 0.2(16) . . . . ?
N10 C30 C86 C76 -0.5(18) . . . . ?
N10 C30 C116 N9 -1.4(14) . . . . ?
N6 C10 C24 C54 -2.0(18) . . . . ?
N6 C60 C78 N5 4.9(16) . . . . ?
C1 N12 C28 C20 -16.7(14) . . . . ?
C1 N12 C28 C98 108.4(10) . . . . ?
C1 C56 C97 C55 -179.5(13) . . . . ?
C4 N1 C9 C58 121.1(10) . . . . ?
C4 N1 C9 C132 -2.9(14) . . . . ?
C4 C10 C24 C54 176.4(11) . . . . ?
C6 C20 C28 N12 -104.6(11) . . . . ?
C6 C20 C28 C98 135.1(10) . . . . ?
C6 C20 C120 C35 0.1(18) . . . . ?
C6 C62 C95 C35 2(2) . . . . ?
C8 C46 C23 C105 -4(2) . . . . ?
C8 C64 C25 C105 0.8(18) . . . . ?
C10 N6 C60 C34 2.8(15) . . . . ?
C10 N6 C60 C78 177.6(10) . . . . ?
C10 C24 C54 C34 -0.3(19) . . . . ?
C12 N2 C58 C9 177.0(9) . . . . ?
C12 N2 C58 C87 56.7(13) . . . . ?
C12 C38 C51 C127 179.8(11) . . . . ?
C14 N8 C68 C84 -178.3(9) . . . . ?
C14 C44 C124 C130 -177.5(10) . . . . ?
C14 C44 C67 C80 178.4(10) . . . . ?
C16 N10 C30 C86 -0.6(15) . . . . ?
C16 N10 C30 C116 -179.9(9) . . . . ?
C18 N4 C32 C108 175.4(9) . . . . ?
C18 C36 C66 C72 119.6(10) . . . . ?
C18 C36 C66 C45 -63.3(13) . . . . ?
C18 C40 C37 C33 177.8(12) . . . . ?
C18 C40 C11 C57 -176.8(12) . . . . ?
C20 C6 C62 C95 0.3(19) . . . . ?
C20 C28 C98 N11 -175.4(8) . . . . ?
C20 C28 C98 C22 -48.5(12) . . . . ?
C20 C120 C35 C95 2(2) . . . . ?
N7 C56 C97 C55 -1(2) . . . . ?
N7 C84 C59 C55 3(2) . . . . ?
C22 C48 C49 C79 0.7(18) . . . . ?
N3 C38 C51 C127 0.6(17) . . . . ?
N3 C108 C39 C127 -1(2) . . . . ?
C26 C42 C73 C123 0.1(18) . . . . ?
C26 C89 C115 C123 2(2) . . . . ?
C28 N12 C1 C56 -177.0(9) . . . . ?
C28 C20 C120 C35 -178.7(11) . . . . ?
C30 N10 C16 C52 -179.6(9) . . . . ?
C30 N10 C16 C100 0.8(15) . . . . ?
C32 N4 C18 C36 122.2(10) . . . . ?
C32 N4 C18 C40 -5.6(14) . . . . ?
C32 C108 C39 C127 -179.0(12) . . . . ?
C34 C60 C78 N5 179.9(11) . . . . ?
C36 N5 C78 C60 179.3(9) . . . . ?
C36 C18 C40 C37 151.9(10) . . . . ?
C36 C18 C40 C11 -32.9(15) . . . . ?
C36 C66 C72 C92 178.7(10) . . . . ?
C36 C66 C45 C27 -178.9(10) . . . . ?
C38 N3 C108 C32 180.0(10) . . . . ?
C38 N3 C108 C39 2.0(17) . . . . ?
C38 C51 C127 C39 0.3(18) . . . . ?
C40 C18 C36 N5 168.8(8) . . . . ?
C40 C18 C36 C66 -66.8(11) . . . . ?
C40 C11 C57 C13 0(3) . . . . ?
C42 C26 C89 C115 -2.3(17) . . . . ?
C42 C26 B2 C106 9.2(15) . . . . ?
C42 C26 B2 C17 -109.0(12) . . . . ?
C42 C26 B2 C91 129.8(11) . . . . ?
C42 C73 C123 C115 -0.7(19) . . . . ?
C44 C14 C50 N9 167.6(8) . . . . ?
C44 C14 C50 C8 -61.8(11) . . . . ?
C44 C124 C130 C70 -0.6(18) . . . . ?
C46 C8 C50 N9 -115.4(12) . . . . ?
C46 C8 C50 C14 119.5(11) . . . . ?
C46 C8 C64 C25 -1.9(16) . . . . ?
C46 C23 C105 C25 3(2) . . . . ?
C48 C22 C96 C88 -1.2(18) . . . . ?
C48 C22 C98 N11 61.7(13) . . . . ?
C48 C22 C98 C28 -59.6(13) . . . . ?
C50 N9 C116 C30 177.2(8) . . . . ?
C50 C8 C46 C23 -175.5(11) . . . . ?
C50 C8 C64 C25 177.3(10) . . . . ?
C50 C14 C44 C124 -56.3(12) . . . . ?
C50 C14 C44 C67 126.0(10) . . . . ?
C52 N11 C98 C22 28.2(13) . . . . ?
C52 N11 C98 C28 154.9(9) . . . . ?
C52 C16 C100 C76 -179.4(10) . . . . ?
C54 C34 C60 N6 -5.0(17) . . . . ?
C54 C34 C60 C78 -179.5(11) . . . . ?
C56 N7 C84 C68 176.1(10) . . . . ?
C56 N7 C84 C59 -1.7(18) . . . . ?
C56 C97 C55 C59 3(2) . . . . ?
C58 N2 C12 C38 179.4(9) . . . . ?
C58 C87 C121 C129 179.0(13) . . . . ?
C60 N6 C10 C4 -177.7(9) . . . . ?
C60 N6 C10 C24 0.7(15) . . . . ?
C60 C34 C54 C24 3.6(18) . . . . ?
C62 C6 C20 C28 177.6(10) . . . . ?
C62 C6 C20 C120 -1.3(17) . . . . ?
C64 C8 C46 C23 3.6(18) . . . . ?
C64 C8 C50 N9 65.5(13) . . . . ?
C64 C8 C50 C14 -59.6(13) . . . . ?
C64 C25 C105 C23 -1(2) . . . . ?
C66 C72 C92 C69 -1.3(17) . . . . ?
C66 C45 C27 C69 1.6(18) . . . . ?
C68 N8 C14 C44 47.2(13) . . . . ?
C68 N8 C14 C50 172.9(10) . . . . ?
C68 C84 C59 C55 -174.4(14) . . . . ?
C70 C80 C67 C44 -1.2(18) . . . . ?
C72 C66 C45 C27 -1.7(17) . . . . ?
C72 C92 C69 C27 1.2(19) . . . . ?
C74 C128 C71 C94 0.7(17) . . . . ?
C78 N5 C36 C18 177.0(9) . . . . ?
C78 N5 C36 C66 52.7(12) . . . . ?
C80 C70 C130 C124 0.1(19) . . . . ?
C82 C132 C9 N1 79.8(15) . . . . ?
C82 C132 C9 C58 -41.8(15) . . . . ?
C82 C132 C103 C119 1(3) . . . . ?
C84 N7 C56 C1 178.9(10) . . . . ?
C84 N7 C56 C97 0.7(17) . . . . ?
C86 C30 C116 N9 179.3(10) . . . . ?
C86 C76 C100 C16 -1.3(17) . . . . ?
C88 C79 C49 C48 -1.6(19) . . . . ?
C90 C94 C71 C128 0.0(18) . . . . ?
C92 C69 C27 C45 -1.4(19) . . . . ?
C94 C90 C118 C74 2.8(16) . . . . ?
C94 C90 B1 C102 6.9(16) . . . . ?
C94 C90 B1 C110 128.3(11) . . . . ?
C94 C90 B1 C107 -114.8(12) . . . . ?
C96 C22 C48 C49 0.7(17) . . . . ?
C96 C22 C98 N11 -119.0(11) . . . . ?
C96 C22 C98 C28 119.8(11) . . . . ?
C96 C88 C79 C49 1(2) . . . . ?
C98 N11 C52 C16 178.9(9) . . . . ?
C98 C22 C48 C49 -180.0(10) . . . . ?
C98 C22 C96 C88 179.4(11) . . . . ?
C100 C16 C52 N11 179.3(10) . . . . ?
C100 C76 C86 C30 1.5(18) . . . . ?
C102 C93 C117 C15 -1(2) . . . . ?
C102 C29 C125 C15 4(4) . . . . ?
C104 C110 C77 C81 2.0(18) . . . . ?
C104 C110 B1 C90 113.0(12) . . . . ?
C104 C110 B1 C102 -124.5(12) . . . . ?
C104 C110 B1 C107 -6.5(16) . . . . ?
C104 C75 C43 C81 -3(2) . . . . ?
C106 C41 C53 C83 2(2) . . . . ?
C108 N3 C38 C12 179.0(10) . . . . ?
C108 N3 C38 C51 -1.7(16) . . . . ?
C108 C39 C127 C51 0(2) . . . . ?
C110 C104 C75 C43 1(2) . . . . ?
C110 C77 C81 C43 -3.9(19) . . . . ?
C112 C107 C111 C7 -1(2) . . . . ?
C112 C107 B1 C90 -15.2(16) . . . . ?
C112 C107 B1 C102 -140.1(12) . . . . ?
C112 C107 B1 C110 99.3(13) . . . . ?
C114 C122 C47 C99 2.5(18) . . . . ?
C114 C17 C5 C99 0.0(17) . . . . ?
C114 C17 B2 C26 171.9(10) . . . . ?
C114 C17 B2 C106 50.5(13) . . . . ?
C114 C17 B2 C91 -68.0(14) . . . . ?
C116 N9 C50 C8 -1.4(14) . . . . ?
C116 N9 C50 C14 125.3(10) . . . . ?
C116 C30 C86 C76 178.7(11) . . . . ?
C118 C74 C128 C71 0.3(17) . . . . ?
C118 C90 C94 C71 -1.7(17) . . . . ?
C118 C90 B1 C102 -171.3(10) . . . . ?
C118 C90 B1 C110 -49.8(12) . . . . ?
C118 C90 B1 C107 67.1(13) . . . . ?
C120 C20 C28 N12 74.3(13) . . . . ?
C120 C20 C28 C98 -46.0(14) . . . . ?
C120 C35 C95 C62 -3(2) . . . . ?
C122 C114 C17 C5 -0.9(16) . . . . ?
C122 C114 C17 B2 179.4(11) . . . . ?
C122 C47 C99 C5 -3.4(19) . . . . ?
C124 C44 C67 C80 0.7(16) . . . . ?
C126 C87 C121 C129 -2(2) . . . . ?
C126 C113 C131 C129 -5(3) . . . . ?
C128 C74 C118 C90 -2.2(17) . . . . ?
C130 C70 C80 C67 0.9(19) . . . . ?
C132 C82 C31 C3 -2(2) . . . . ?
C132 C103 C119 C3 -2(3) . . . . ?
C33 C13 C57 C11 0(3) . . . . ?
C67 C44 C124 C130 0.2(16) . . . . ?
C17 C114 C122 C47 -0.4(18) . . . . ?
C17 C5 C99 C47 2.2(19) . . . . ?
C9 N1 C4 C10 177.4(9) . . . . ?
C9 C58 C87 C126 113.6(13) . . . . ?
C9 C58 C87 C121 -67.5(14) . . . . ?
C9 C132 C103 C119 178.7(17) . . . . ?
C37 C40 C11 C57 -1(2) . . . . ?
C37 C33 C13 C57 1(3) . . . . ?
C75 C104 C110 C77 -0.5(19) . . . . ?
C75 C104 C110 B1 -176.8(12) . . . . ?
C19 C83 C53 C41 -4(2) . . . . ?
C77 C110 B1 C90 -63.2(13) . . . . ?
C77 C110 B1 C102 59.3(14) . . . . ?
C77 C110 B1 C107 177.3(11) . . . . ?
C77 C81 C43 C75 4.1(19) . . . . ?
C79 C88 C96 C22 0.3(19) . . . . ?
C5 C17 B2 C26 -7.7(15) . . . . ?
C5 C17 B2 C106 -129.2(11) . . . . ?
C5 C17 B2 C91 112.3(12) . . . . ?
C41 C106 C85 C19 2.3(17) . . . . ?
C41 C106 B2 C26 106.8(12) . . . . ?
C41 C106 B2 C17 -133.0(11) . . . . ?
C41 C106 B2 C91 -13.5(15) . . . . ?
C83 C19 C85 C106 -4(2) . . . . ?
C85 C106 C41 C53 -1.0(18) . . . . ?
C85 C106 B2 C26 -72.4(13) . . . . ?
C85 C106 B2 C17 47.8(14) . . . . ?
C85 C106 B2 C91 167.3(10) . . . . ?
C85 C19 C83 C53 5(2) . . . . ?
C87 C58 C9 N1 165.9(9) . . . . ?
C87 C58 C9 C132 -67.3(12) . . . . ?
C87 C126 C113 C131 2(2) . . . . ?
C87 C121 C129 C131 -1(3) . . . . ?
C11 C40 C37 C33 2.2(19) . . . . ?
C89 C26 C42 C73 1.4(16) . . . . ?
C89 C26 B2 C106 -173.0(10) . . . . ?
C89 C26 B2 C17 68.9(13) . . . . ?
C89 C26 B2 C91 -52.4(13) . . . . ?
C89 C115 C123 C73 0(2) . . . . ?
C45 C66 C72 C92 1.5(16) . . . . ?
C91 C109 C2 C65 1(3) . . . . ?
C91 C61 C63 C65 -3(3) . . . . ?
C93 C102 C29 C125 0(3) . . . . ?
C93 C102 B1 C90 -54.2(14) . . . . ?
C93 C102 B1 C110 -171.4(10) . . . . ?
C93 C102 B1 C107 70.1(14) . . . . ?
C93 C117 C15 C125 5(3) . . . . ?
C97 C55 C59 C84 -4(3) . . . . ?
C101 C112 C107 C111 0.4(19) . . . . ?
C101 C112 C107 B1 -174.1(11) . . . . ?
C101 C21 C7 C111 3(2) . . . . ?
C103 C132 C9 N1 -98.2(14) . . . . ?
C103 C132 C9 C58 140.2(13) . . . . ?
C13 C33 C37 C40 -2(2) . . . . ?
C107 C112 C101 C21 2(2) . . . . ?
C107 C111 C7 C21 -1(2) . . . . ?
C109 C91 B2 C26 141.8(14) . . . . ?
C109 C91 B2 C106 -95.9(15) . . . . ?
C109 C91 B2 C17 20.9(18) . . . . ?
C109 C91 C61 C63 6(2) . . . . ?
C109 C2 C65 C63 2(3) . . . . ?
C111 C107 B1 C90 170.4(11) . . . . ?
C111 C107 B1 C102 45.6(15) . . . . ?
C111 C107 B1 C110 -75.1(15) . . . . ?
C7 C21 C101 C112 -4(2) . . . . ?
C113 C126 C87 C58 -179.5(12) . . . . ?
C113 C126 C87 C121 2(2) . . . . ?
C29 C102 C93 C117 -1.6(18) . . . . ?
C29 C102 B1 C90 130.5(14) . . . . ?
C29 C102 B1 C110 13.3(18) . . . . ?
C29 C102 B1 C107 -105.3(15) . . . . ?
C117 C15 C125 C29 -7(3) . . . . ?
B1 C90 C94 C71 -179.9(11) . . . . ?
B1 C90 C118 C74 -178.9(10) . . . . ?
B1 C102 C93 C117 -177.4(11) . . . . ?
B1 C102 C29 C125 175.7(19) . . . . ?
B1 C110 C77 C81 178.6(11) . . . . ?
B1 C107 C111 C7 173.8(12) . . . . ?
B2 C26 C42 C73 179.2(10) . . . . ?
B2 C26 C89 C115 179.7(11) . . . . ?
B2 C106 C41 C53 179.7(12) . . . . ?
B2 C106 C85 C19 -178.4(11) . . . . ?
B2 C17 C5 C99 179.7(11) . . . . ?
B2 C91 C109 C2 178.3(16) . . . . ?
B2 C91 C61 C63 -177.1(14) . . . . ?
C119 C3 C31 C82 1(3) . . . . ?
C121 C129 C131 C113 5(3) . . . . ?
C61 C91 C109 C2 -5(2) . . . . ?
C61 C91 B2 C26 -34.7(15) . . . . ?
C61 C91 B2 C106 87.6(14) . . . . ?
C61 C91 B2 C17 -155.6(11) . . . . ?
C61 C63 C65 C2 -2(3) . . . . ?
C31 C82 C132 C9 -176.7(12) . . . . ?
C31 C82 C132 C103 1(2) . . . . ?
C31 C3 C119 C103 1(3) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 1090 electrons were 
found in a volume of 7840Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
6.5[CH3CN] per Asymmetric Unit 
which account for 1144 electrons 
per unit cell.
;
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 0.315 -0.596 -0.642 7716.2 1090.4 '52 CH3CN'
2 0.120 0.228 0.250 31.2 0.0 ?
3 0.380 0.728 0.750 31.2 0.0 ?
4 0.620 0.728 0.250 31.2 0.0 ?
5 0.880 0.228 0.750 31.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 2228983'
loop_
_audit_author_name
_audit_author_address
'Chen Zhao'
;CIAC
China
;
_audit_update_record             
;
2023-07-07 deposited with the CCDC.	2023-07-10 downloaded from the CCDC.
;
_audit_creation_date             2023-06-20
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C84 H68 Cl2 Dy2 N12 O2, 2(C24 H20 B), 6[CH3CN]'
_chemical_formula_sum            'C144 H126 B2 Cl2 Dy2 N18 O2'
_chemical_formula_weight         2558.14
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.7450(3)
_cell_length_b                   16.3240(4)
_cell_length_c                   47.7781(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12280.0(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9749
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      24.939
_cell_measurement_theta_min      2.205
_shelx_estimated_absorpt_T_max   0.779
_shelx_estimated_absorpt_T_min   0.694
_exptl_absorpt_coefficient_mu    1.313
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6303
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1060 before and 0.0721 after correction.
The Ratio of minimum to maximum transmission is 0.8458.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5232
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_unetI/netI     0.0520
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_number            83424
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.086
_diffrn_reflns_theta_min         2.113
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.832
_reflns_Friedel_fraction_full    0.971
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                18650
_reflns_number_total             21647
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2013/4 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.606
_refine_diff_density_min         -1.011
_refine_diff_density_rms         0.093
_refine_ls_abs_structure_details 
;
 Flack x determined using 7773 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.010(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1345
_refine_ls_number_reflns         21647
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0438
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0542P)²+22.3715P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1149
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Rigid bond restraints
 C119, C15, C121, C61, C123, C31
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
2. Uiso/Uaniso restraints and constraints
Uanis(C63) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C8(H8), C12(H12), C32(H32), C34(H34), C52(H52), C62(H62), C64(H64), C124(H124)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C10(H10), C14(H14), C16(H16), C22(H22), C38(H38), C40(H40),
 C42(H42), C44(H44), C46(H46), C54(H54), C58(H58), C60(H60), C68(H68), C70(H70),
  C74(H74), C82(H82), C84(H84), C86(H86), C88(H88), C90(H90), C94(H94),
 C98(H98), C100(H100), C102(H102), C104(H104), C106(H106), C108(H108),
 C110(H110), C112(H112), C114(H114), C116(H116), C118(H118), C120(H120),
 C122(H122), C126(H126), C128(H128), C132(H132), C33(H33), C67(H67), C17(H17),
 C69(H69), C35(H35), C71(H71), C9(H9), C37(H37), C75(H75), C19(H19), C77(H77),
 C39(H39), C79(H79), C5(H5), C81(H81), C41(H41), C83(H83), C85(H85), C87(H87),
 C11(H11), C89(H89), C45(H45), C91(H91), C23(H23), C93(H93), C47(H47), C95(H95),
  C3(H3), C97(H97), C49(H49), C99(H99), C25(H25), C101(H101), C51(H51),
 C103(H103), C13(H13), C105(H105), C53(H53), C107(H107), C27(H27), C109(H109),
 C55(H55), C111(H111), C7(H7), C113(H113), C57(H57), C115(H115), C29(H29),
 C117(H117), C59(H59), C119(H119), C15(H15), C121(H121), C123(H123), C31(H31),
 C125(H125), C63(H63), C127(H127), C2(H2), C65(H65), C131(H131)
3.c Fitted hexagon refined as free rotating group:
 C119(C15,C121,C61,C123,C31), C63(C127,C2,C129,C65,C131)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Dy1 Dy 0.42937(2) 0.30055(2) 0.41672(2) 0.03113(10) Uani 1 1 d . . . . .
Dy2 Dy 0.46246(2) 0.33057(2) 0.32917(2) 0.03237(11) Uani 1 1 d . . . . .
Cl1 Cl 0.40795(17) 0.27206(16) 0.47063(5) 0.0525(6) Uani 1 1 d . . . . .
Cl2 Cl 0.48330(18) 0.3539(2) 0.27432(6) 0.0629(8) Uani 1 1 d . . . . .
O1 O 0.4861(4) 0.3427(4) 0.37559(11) 0.0355(14) Uani 1 1 d . . . . .
O2 O 0.4061(4) 0.2919(4) 0.37006(12) 0.0370(14) Uani 1 1 d . . . . .
N4 N 0.5507(4) 0.1911(4) 0.41160(14) 0.0311(16) Uani 1 1 d . . . . .
N12 N 0.4031(4) 0.4781(4) 0.33495(16) 0.0355(17) Uani 1 1 d . . . . .
N2 N 0.2684(4) 0.2559(4) 0.41450(16) 0.0321(15) Uani 1 1 d . . . . .
N8 N 0.3596(5) 0.2091(5) 0.31352(16) 0.0397(18) Uani 1 1 d . . . . .
N11 N 0.5691(5) 0.4542(4) 0.33212(15) 0.0346(15) Uani 1 1 d . . . . .
N10 N 0.6243(4) 0.3041(5) 0.31884(15) 0.0361(17) Uani 1 1 d . . . . .
N9 N 0.5198(4) 0.1786(4) 0.32696(15) 0.0349(16) Uani 1 1 d . . . . .
N6 N 0.4586(5) 0.4460(4) 0.43908(15) 0.0348(16) Uani 1 1 d . . . . .
N5 N 0.5854(4) 0.3346(4) 0.43588(14) 0.0336(15) Uani 1 1 d . . . . .
C1 C 0.5384(6) 0.1165(5) 0.4169(2) 0.0372(19) Uani 1 1 d . . . . .
H1 H 0.5850 0.0796 0.4174 0.045 Uiso 1 1 calc R U . . .
C4 C 0.2934(6) 0.2233(6) 0.2990(2) 0.043(2) Uani 1 1 d . . . . .
H4 H 0.2633 0.1796 0.2904 0.051 Uiso 1 1 calc R U . . .
N1 N 0.3102(4) 0.4137(4) 0.41453(16) 0.0308(15) Uani 1 1 d . . . . .
C6 C 0.7444(5) 0.3075(6) 0.43700(17) 0.0344(19) Uani 1 1 d . . . . .
C8 C 0.6389(5) 0.2248(5) 0.40802(18) 0.033(2) Uani 1 1 d . . . . .
H8 H 0.6373 0.2643 0.3920 0.040 Uiso 1 1 calc R U . . .
C10 C 0.5935(6) 0.1629(6) 0.31773(19) 0.040(2) Uani 1 1 d . . . . .
H10 H 0.6103 0.1077 0.3147 0.048 Uiso 1 1 calc R U . . .
C12 C 0.1973(5) 0.3139(5) 0.41059(18) 0.0328(19) Uani 1 1 d . . . . .
H12 H 0.1718 0.3250 0.4294 0.039 Uiso 1 1 calc R U . . .
C14 C 0.7368(6) 0.1576(7) 0.3747(2) 0.050(3) Uani 1 1 d . . . . .
H14 H 0.7161 0.1945 0.3609 0.060 Uiso 1 1 calc R U . . .
C16 C 0.3373(6) 0.5029(6) 0.3225(2) 0.038(2) Uani 1 1 d . . . . .
H16 H 0.3212 0.5589 0.3232 0.046 Uiso 1 1 calc R U . . .
C18 C 0.7069(5) 0.1624(6) 0.40164(19) 0.0350(19) Uani 1 1 d . . . . .
C20 C 0.9507(6) 0.6138(5) 0.2559(2) 0.043(2) Uani 1 1 d . . . . .
C22 C 0.7336(6) 0.2155(6) 0.3012(2) 0.049(3) Uani 1 1 d . . . . .
H22 H 0.7513 0.1615 0.2966 0.059 Uiso 1 1 calc R U . . .
C24 C 0.3982(6) 0.5016(5) 0.44110(19) 0.035(2) Uani 1 1 d . . . . .
N3 N 0.3916(5) 0.1440(4) 0.42001(18) 0.0396(18) Uani 1 1 d . . . . .
C26 C 0.6521(6) 0.2291(6) 0.3119(2) 0.038(2) Uani 1 1 d . . . . .
C28 C 0.5334(6) 0.4632(5) 0.45171(18) 0.039(2) Uani 1 1 d . . . . .
C30 C 0.1617(5) 0.4595(5) 0.3985(2) 0.039(2) Uani 1 1 d . . . . .
C32 C 0.4530(6) 0.5371(5) 0.35181(19) 0.0349(19) Uani 1 1 d . . . . .
H32 H 0.4573 0.5131 0.3710 0.042 Uiso 1 1 calc R U . . .
C34 C 0.6554(5) 0.2744(5) 0.43470(18) 0.0301(18) Uani 1 1 d . . . . .
H34 H 0.6471 0.2362 0.4508 0.036 Uiso 1 1 calc R U . . .
C36 C 0.2647(5) 0.3081(6) 0.29584(19) 0.040(2) Uani 1 1 d . . . . .
C38 C 0.7600(6) 0.3571(6) 0.3045(2) 0.047(2) Uani 1 1 d . . . . .
H38 H 0.7960 0.4034 0.3024 0.057 Uiso 1 1 calc R U . . .
C40 C 0.9147(7) 0.5957(6) 0.2303(2) 0.045(2) Uani 1 1 d . . . . .
H40 H 0.8546 0.5937 0.2286 0.054 Uiso 1 1 calc R U . . .
N7 N 0.3103(5) 0.3642(5) 0.30910(15) 0.0362(17) Uani 1 1 d . . . . .
C42 C 0.7757(6) 0.3624(6) 0.4179(2) 0.046(2) Uani 1 1 d . . . . .
H42 H 0.7409 0.3786 0.4026 0.055 Uiso 1 1 calc R U . . .
C44 C 0.7886(6) 0.2811(6) 0.2974(2) 0.050(3) Uani 1 1 d . . . . .
H44 H 0.8440 0.2733 0.2901 0.060 Uiso 1 1 calc R U . . .
C46 C 0.4349(6) -0.1929(6) 0.4654(2) 0.048(2) Uani 1 1 d . . . . .
H46 H 0.3856 -0.1867 0.4767 0.058 Uiso 1 1 calc R U . . .
C48 C 0.6787(6) 0.3666(6) 0.3149(2) 0.038(2) Uani 1 1 d . . . . .
C50 C 0.1279(5) 0.2792(5) 0.39187(19) 0.036(2) Uani 1 1 d . . . . .
C52 C 0.5434(6) 0.5387(5) 0.33998(18) 0.0353(19) Uani 1 1 d . . . . .
H52 H 0.5426 0.5725 0.3225 0.042 Uiso 1 1 calc R U . . .
C54 C 0.5996(6) 0.4015(5) 0.4492(2) 0.038(2) Uani 1 1 d . . . . .
H54 H 0.6536 0.4108 0.4575 0.045 Uiso 1 1 calc R U . . .
C56 C 0.7634(6) -0.1774(6) 0.4572(2) 0.043(2) Uani 1 1 d . . . . .
C58 C 0.6445(6) 0.4478(6) 0.3236(2) 0.041(2) Uani 1 1 d . . . . .
H58 H 0.6798 0.4949 0.3227 0.049 Uiso 1 1 calc R U . . .
C60 C 0.5130(5) -0.1745(6) 0.4759(2) 0.045(2) Uani 1 1 d . . . . .
H60 H 0.5161 -0.1564 0.4947 0.054 Uiso 1 1 calc R U . . .
C62 C 0.2311(5) 0.3944(5) 0.39915(19) 0.0335(19) Uani 1 1 d . . . . .
H62 H 0.2478 0.3840 0.3793 0.040 Uiso 1 1 calc R U . . .
C64 C 0.3824(6) 0.1205(5) 0.3150(2) 0.039(2) Uani 1 1 d . . . . .
H64 H 0.3974 0.1013 0.2957 0.046 Uiso 1 1 calc R U . . .
C66 C 0.5903(5) -0.1802(5) 0.46056(19) 0.038(2) Uani 1 1 d . . . . .
C68 C 0.6510(6) 0.6485(6) 0.3531(2) 0.044(2) Uani 1 1 d . . . . .
H68 H 0.6427 0.6734 0.3353 0.053 Uiso 1 1 calc R U . . .
C70 C 0.6744(7) -0.1704(8) 0.5323(2) 0.057(3) Uani 1 1 d . . . . .
H70 H 0.6744 -0.1124 0.5338 0.068 Uiso 1 1 calc R U . . .
C72 C 0.4125(5) 0.6210(5) 0.35531(19) 0.035(2) Uani 1 1 d . . . . .
C74 C 0.5797(6) -0.2086(6) 0.43365(19) 0.042(2) Uani 1 1 d . . . . .
H74 H 0.6285 -0.2140 0.4221 0.050 Uiso 1 1 calc R U . . .
C76 C 0.4523(6) 0.0867(5) 0.4223(2) 0.038(2) Uani 1 1 d . . . . .
C78 C 0.6797(6) -0.2050(6) 0.5054(2) 0.044(2) Uani 1 1 d . . . . .
C80 C 0.7930(6) 0.6405(6) 0.2776(2) 0.044(2) Uani 1 1 d . . . . .
C82 C 0.7079(7) 0.6810(6) 0.3721(3) 0.055(3) Uani 1 1 d . . . . .
H82 H 0.7376 0.7295 0.3670 0.066 Uiso 1 1 calc R U . . .
C84 C 0.2469(5) 0.1838(6) 0.4216(2) 0.044(2) Uani 1 1 d . . . . .
H84 H 0.1888 0.1710 0.4246 0.053 Uiso 1 1 calc R U . . .
C86 C 0.1399(7) 0.4948(6) 0.3734(2) 0.053(3) Uani 1 1 d . . . . .
H86 H 0.1709 0.4810 0.3570 0.064 Uiso 1 1 calc R U . . .
C88 C 0.5490(6) 0.5367(5) 0.46647(19) 0.040(2) Uani 1 1 d . . . . .
H88 H 0.6025 0.5467 0.4750 0.048 Uiso 1 1 calc R U . . .
C90 C 0.4285(6) -0.2208(6) 0.4382(2) 0.047(2) Uani 1 1 d . . . . .
H90 H 0.3747 -0.2337 0.4304 0.056 Uiso 1 1 calc R U . . .
C92 C 0.6063(6) 0.5786(6) 0.3604(2) 0.037(2) Uani 1 1 d . . . . .
C94 C 0.7962(6) 0.2877(7) 0.4598(2) 0.049(3) Uani 1 1 d . . . . .
H94 H 0.7754 0.2514 0.4737 0.059 Uiso 1 1 calc R U . . .
C96 C 0.3122(6) 0.1204(6) 0.4251(2) 0.045(3) Uani 1 1 d . . . . .
C98 C 0.7408(6) 0.1097(6) 0.4219(2) 0.045(2) Uani 1 1 d . . . . .
H98 H 0.7219 0.1132 0.4407 0.054 Uiso 1 1 calc R U . . .
C100 C 0.7972(8) 0.0991(8) 0.3675(3) 0.065(3) Uani 1 1 d . . . . .
H100 H 0.8172 0.0957 0.3488 0.078 Uiso 1 1 calc R U . . .
C102 C 0.1186(6) 0.4829(6) 0.4224(2) 0.044(2) Uani 1 1 d . . . . .
H102 H 0.1338 0.4594 0.4399 0.053 Uiso 1 1 calc R U . . .
C104 C 0.6693(7) -0.2160(8) 0.5565(2) 0.063(3) Uani 1 1 d . . . . .
H104 H 0.6649 -0.1894 0.5741 0.076 Uiso 1 1 calc R U . . .
C106 C 0.5012(6) -0.2296(6) 0.4225(2) 0.049(2) Uani 1 1 d . . . . .
H106 H 0.4977 -0.2502 0.4040 0.059 Uiso 1 1 calc R U . . .
C108 C -0.0140(6) 0.2252(6) 0.3854(3) 0.057(3) Uani 1 1 d . . . . .
H108 H -0.0683 0.2116 0.3927 0.069 Uiso 1 1 calc R U . . .
C110 C 0.5035(7) -0.0156(6) 0.3067(2) 0.054(3) Uani 1 1 d . . . . .
H110 H 0.4821 0.0090 0.2902 0.065 Uiso 1 1 calc R U . . .
C112 C 0.6569(7) 0.5808(9) 0.2656(2) 0.069(4) Uani 1 1 d . . . . .
H112 H 0.6241 0.5331 0.2620 0.082 Uiso 1 1 calc R U . . .
C114 C 0.8535(6) 0.5488(6) 0.3298(2) 0.048(2) Uani 1 1 d . . . . .
H114 H 0.8115 0.5898 0.3325 0.058 Uiso 1 1 calc R U . . .
C116 C 0.6128(8) -0.0017(6) 0.4835(2) 0.054(3) Uani 1 1 d . . . . .
H116 H 0.5593 -0.0212 0.4773 0.065 Uiso 1 1 calc R U . . .
C118 C 0.4834(7) 0.5943(6) 0.4681(2) 0.052(3) Uani 1 1 d . . . . .
H118 H 0.4915 0.6447 0.4777 0.063 Uiso 1 1 calc R U . . .
C120 C 0.8006(6) 0.0538(6) 0.4147(3) 0.057(3) Uani 1 1 d . . . . .
H120 H 0.8242 0.0191 0.4286 0.069 Uiso 1 1 calc R U . . .
C122 C 0.3120(8) 0.7069(9) 0.3788(3) 0.070(4) Uani 1 1 d . . . . .
H122 H 0.2699 0.7120 0.3929 0.084 Uiso 1 1 calc R U . . .
C124 C 0.4604(6) 0.1114(5) 0.3337(2) 0.042(2) Uani 1 1 d . . . . .
H124 H 0.4413 0.1195 0.3535 0.051 Uiso 1 1 calc R U . . .
C126 C 0.3170(6) 0.4821(6) 0.4270(2) 0.041(2) Uani 1 1 d . . . . .
H126 H 0.2710 0.5198 0.4274 0.049 Uiso 1 1 calc R U . . .
C128 C 0.7737(7) -0.1504(7) 0.4299(2) 0.054(3) Uani 1 1 d . . . . .
H128 H 0.7292 -0.1191 0.4219 0.064 Uiso 1 1 calc R U . . .
C130 C 0.4991(6) 0.0257(6) 0.3318(2) 0.048(2) Uani 1 1 d . . . . .
C132 C 0.4067(6) 0.5767(6) 0.4555(2) 0.046(2) Uani 1 1 d . . . . .
H132 H 0.3606 0.6142 0.4565 0.055 Uiso 1 1 calc R U . . .
C33 C 0.0484(5) 0.2596(6) 0.4027(2) 0.042(2) Uani 1 1 d . . . . .
H33 H 0.0363 0.2695 0.4219 0.051 Uiso 1 1 calc R U . . .
C67 C 0.8769(6) 0.3198(6) 0.4625(2) 0.052(3) Uani 1 1 d . . . . .
H67 H 0.9114 0.3047 0.4779 0.062 Uiso 1 1 calc R U . . .
C17 C 0.9660(9) 0.5796(7) 0.2061(2) 0.063(3) Uani 1 1 d . . . . .
H17 H 0.9405 0.5676 0.1885 0.076 Uiso 1 1 calc R U . . .
C69 C 0.6706(7) -0.3011(9) 0.5550(2) 0.063(3) Uani 1 1 d . . . . .
H69 H 0.6667 -0.3333 0.5715 0.075 Uiso 1 1 calc R U . . .
C35 C 0.6189(8) 0.0779(6) 0.4927(2) 0.059(3) Uani 1 1 d . . . . .
H35 H 0.5697 0.1117 0.4930 0.071 Uiso 1 1 calc R U . . .
C71 C 0.0040(7) 0.2116(7) 0.3580(3) 0.060(3) Uani 1 1 d . . . . .
H71 H -0.0384 0.1884 0.3463 0.072 Uiso 1 1 calc R U . . .
C9 C 0.8603(7) 0.4869(7) 0.3502(2) 0.052(3) Uani 1 1 d . . . . .
H9 H 0.8257 0.4875 0.3665 0.062 Uiso 1 1 calc R U . . .
C73 C 0.2859(6) 0.4424(6) 0.3068(2) 0.044(2) Uani 1 1 d . . . . .
C37 C 0.0800(9) 0.2298(7) 0.3470(3) 0.069(3) Uani 1 1 d . . . . .
H37 H 0.0905 0.2189 0.3278 0.082 Uiso 1 1 calc R U . . .
C75 C 0.1442(7) 0.2646(7) 0.3634(2) 0.054(3) Uani 1 1 d . . . . .
H75 H 0.1977 0.2781 0.3555 0.064 Uiso 1 1 calc R U . . .
C19 C 0.3543(7) 0.6319(7) 0.3757(2) 0.056(3) Uani 1 1 d . . . . .
H19 H 0.3418 0.5882 0.3882 0.067 Uiso 1 1 calc R U . . .
C77 C 0.7237(7) 0.6479(7) 0.3972(2) 0.057(3) Uani 1 1 d . . . . .
H77 H 0.7640 0.6717 0.4096 0.068 Uiso 1 1 calc R U . . .
C39 C 0.6802(6) -0.2917(7) 0.5052(2) 0.052(3) Uani 1 1 d . . . . .
H39 H 0.6824 -0.3195 0.4877 0.063 Uiso 1 1 calc R U . . .
C79 C 1.0395(7) 0.6134(7) 0.2570(2) 0.059(3) Uani 1 1 d . . . . .
H79 H 1.0668 0.6233 0.2744 0.071 Uiso 1 1 calc R U . . .
C5 C 0.6776(7) -0.3371(7) 0.5295(2) 0.056(3) Uani 1 1 d . . . . .
H5 H 0.6808 -0.3952 0.5283 0.068 Uiso 1 1 calc R U . . .
C81 C 0.7423(6) 0.5739(7) 0.2707(2) 0.052(3) Uani 1 1 d . . . . .
H81 H 0.7679 0.5213 0.2695 0.062 Uiso 1 1 calc R U . . .
C41 C 0.6967(9) 0.1096(8) 0.5017(2) 0.067(4) Uani 1 1 d . . . . .
H41 H 0.7004 0.1642 0.5085 0.080 Uiso 1 1 calc R U . . .
C83 C 0.0310(7) 0.5738(7) 0.3963(3) 0.070(4) Uani 1 1 d . . . . .
H83 H -0.0135 0.6131 0.3958 0.084 Uiso 1 1 calc R U . . .
C21 C 0.9047(6) 0.5539(6) 0.3059(2) 0.041(2) Uani 1 1 d . . . . .
C85 C 0.7489(7) 0.7159(7) 0.2780(2) 0.058(3) Uani 1 1 d . . . . .
H85 H 0.7801 0.7638 0.2826 0.070 Uiso 1 1 calc R U . . .
C43 C 0.6829(7) -0.0556(6) 0.4830(2) 0.048(2) Uani 1 1 d . . . . .
C87 C 0.2162(7) 0.4676(7) 0.2907(2) 0.056(3) Uani 1 1 d . . . . .
H87 H 0.2013 0.5238 0.2893 0.067 Uiso 1 1 calc R U . . .
C11 C 0.9593(6) 0.4883(6) 0.3031(2) 0.047(2) Uani 1 1 d . . . . .
H11 H 0.9948 0.4871 0.2870 0.057 Uiso 1 1 calc R U . . .
C89 C 0.4371(6) 0.0044(6) 0.4287(2) 0.050(3) Uani 1 1 d . . . . .
H89 H 0.4816 -0.0349 0.4288 0.060 Uiso 1 1 calc R U . . .
C45 C 0.8326(8) -0.2190(10) 0.4672(3) 0.091(5) Uani 1 1 d . . . . .
H45 H 0.8302 -0.2391 0.4859 0.109 Uiso 1 1 calc R U . . .
C91 C 0.0543(6) 0.5395(6) 0.4213(3) 0.059(3) Uani 1 1 d . . . . .
H91 H 0.0257 0.5551 0.4380 0.071 Uiso 1 1 calc R U . . .
C23 C 0.6655(8) 0.7242(10) 0.2722(2) 0.069(4) Uani 1 1 d . . . . .
H23 H 0.6396 0.7768 0.2726 0.082 Uiso 1 1 calc R U . . .
C93 C 0.6211(7) 0.5428(7) 0.3861(2) 0.050(3) Uani 1 1 d . . . . .
H93 H 0.5917 0.4942 0.3912 0.060 Uiso 1 1 calc R U . . .
C47 C 0.6184(8) 0.6561(11) 0.2656(2) 0.080(5) Uani 1 1 d . . . . .
H47 H 0.5598 0.6611 0.2611 0.096 Uiso 1 1 calc R U . . .
C95 C 0.2896(6) 0.0402(6) 0.4326(3) 0.068(4) Uani 1 1 d . . . . .
H95 H 0.2320 0.0259 0.4360 0.082 Uiso 1 1 calc R U . . .
C3 C 0.4307(7) 0.6864(6) 0.3383(2) 0.058(3) Uani 1 1 d . . . . .
H3 H 0.4718 0.6812 0.3238 0.070 Uiso 1 1 calc R U . . .
C97 C 0.1939(6) 0.3258(7) 0.2795(2) 0.051(3) Uani 1 1 d . . . . .
H97 H 0.1630 0.2833 0.2705 0.061 Uiso 1 1 calc R U . . .
C49 C 0.8277(8) 0.0469(8) 0.3871(3) 0.071(4) Uani 1 1 d . . . . .
H49 H 0.8675 0.0058 0.3821 0.085 Uiso 1 1 calc R U . . .
C99 C 0.9072(6) 0.3738(7) 0.4427(2) 0.052(3) Uani 1 1 d . . . . .
H99 H 0.9625 0.3963 0.4445 0.063 Uiso 1 1 calc R U . . .
C25 C 0.7684(9) 0.0606(7) 0.5005(2) 0.066(3) Uani 1 1 d . . . . .
H25 H 0.8222 0.0816 0.5060 0.080 Uiso 1 1 calc R U . . .
C101 C 0.7606(7) -0.0196(7) 0.4911(2) 0.058(3) Uani 1 1 d . . . . .
H101 H 0.8105 -0.0521 0.4901 0.069 Uiso 1 1 calc R U . . .
C51 C 0.8454(7) -0.1664(7) 0.4135(2) 0.057(3) Uani 1 1 d . . . . .
H51 H 0.8477 -0.1485 0.3946 0.068 Uiso 1 1 calc R U . . .
C103 C 0.0719(8) 0.5516(7) 0.3716(3) 0.067(3) Uani 1 1 d . . . . .
H103 H 0.0549 0.5737 0.3541 0.080 Uiso 1 1 calc R U . . .
C13 C 0.9120(8) -0.2081(9) 0.4251(3) 0.080(4) Uani 1 1 d . . . . .
H13 H 0.9614 -0.2188 0.4143 0.096 Uiso 1 1 calc R U . . .
C105 C 0.5660(11) -0.1305(8) 0.3290(4) 0.095(5) Uani 1 1 d . . . . .
H105 H 0.5884 -0.1845 0.3282 0.114 Uiso 1 1 calc R U . . .
B1 B 0.8954(7) 0.6324(7) 0.2844(2) 0.041(2) Uani 1 1 d . . . . .
C53 C 0.8573(6) 0.3949(6) 0.4202(2) 0.048(2) Uani 1 1 d . . . . .
H53 H 0.8782 0.4315 0.4064 0.057 Uiso 1 1 calc R U . . .
C107 C 1.0886(7) 0.5991(8) 0.2336(3) 0.067(3) Uani 1 1 d . . . . .
H107 H 1.1487 0.6014 0.2352 0.081 Uiso 1 1 calc R U . . .
C27 C 0.9663(7) 0.4248(7) 0.3217(2) 0.053(3) Uani 1 1 d . . . . .
H27 H 1.0041 0.3808 0.3179 0.064 Uiso 1 1 calc R U . . .
C109 C 0.3535(7) -0.0172(7) 0.4350(3) 0.077(4) Uani 1 1 d . . . . .
H109 H 0.3407 -0.0713 0.4409 0.092 Uiso 1 1 calc R U . . .
C55 C 0.3291(8) 0.7721(8) 0.3624(3) 0.070(4) Uani 1 1 d . . . . .
H55 H 0.3010 0.8231 0.3649 0.084 Uiso 1 1 calc R U . . .
C111 C 0.9191(7) 0.4248(7) 0.3457(2) 0.059(3) Uani 1 1 d . . . . .
H111 H 0.9264 0.3827 0.3593 0.071 Uiso 1 1 calc R U . . .
C7 C 0.3876(8) 0.7616(7) 0.3424(3) 0.078(4) Uani 1 1 d . . . . .
H7 H 0.4008 0.8064 0.3305 0.093 Uiso 1 1 calc R U . . .
C113 C 0.5270(11) -0.0134(7) 0.3554(3) 0.085(4) Uani 1 1 d . . . . .
H113 H 0.5228 0.0137 0.3729 0.102 Uiso 1 1 calc R U . . .
B2 B 0.6787(7) -0.1536(7) 0.4764(2) 0.042(3) Uani 1 1 d . . . . .
C57 C 0.9075(9) -0.2337(12) 0.4516(4) 0.114(7) Uani 1 1 d . . . . .
H57 H 0.9541 -0.2616 0.4599 0.136 Uiso 1 1 calc R U . . .
C115 C 0.6790(7) 0.5774(7) 0.4047(2) 0.054(3) Uani 1 1 d . . . . .
H115 H 0.6880 0.5530 0.4225 0.065 Uiso 1 1 calc R U . . .
C29 C 1.0541(8) 0.5821(8) 0.2089(3) 0.066(3) Uani 1 1 d . . . . .
H29 H 1.0894 0.5716 0.1931 0.080 Uiso 1 1 calc R U . . .
C117 C 0.5606(13) -0.0901(9) 0.3544(3) 0.107(6) Uani 1 1 d . . . . .
H117 H 0.5802 -0.1157 0.3710 0.128 Uiso 1 1 calc R U . . .
C59 C 0.5393(9) -0.0928(8) 0.3057(3) 0.081(4) Uani 1 1 d . . . . .
H59 H 0.5451 -0.1197 0.2882 0.097 Uiso 1 1 calc R U . . .
C119 C 0.9899(6) 0.8677(4) 0.3210(2) 0.095(5) Uani 1 1 d G U . . .
H119 H 1.0090 0.9184 0.3284 0.115 Uiso 1 1 calc R U . . .
C15 C 0.9860(6) 0.8565(4) 0.29215(19) 0.083(4) Uani 1 1 d G U . . .
H15 H 1.0025 0.8995 0.2799 0.100 Uiso 1 1 calc R U . . .
C121 C 0.9581(5) 0.7823(4) 0.28124(13) 0.065(3) Uani 1 1 d G U . . .
H121 H 0.9554 0.7746 0.2616 0.078 Uiso 1 1 calc R U . . .
C61 C 0.9341(5) 0.7193(3) 0.29915(15) 0.052(2) Uani 1 1 d G U . . .
C123 C 0.9380(6) 0.7305(4) 0.32796(14) 0.072(3) Uani 1 1 d G U . . .
H123 H 0.9216 0.6874 0.3402 0.087 Uiso 1 1 calc R U . . .
C31 C 0.9659(7) 0.8047(5) 0.33887(14) 0.107(5) Uani 1 1 d G U . . .
H31 H 0.9686 0.8123 0.3586 0.129 Uiso 1 1 calc R U . . .
C125 C 0.1694(6) 0.4076(7) 0.2767(3) 0.059(3) Uani 1 1 d . . . . .
H125 H 0.1219 0.4222 0.2655 0.071 Uiso 1 1 calc R U . . .
C63 C 0.1812(5) -0.0296(5) 0.3477(2) 0.082(4) Uani 1 1 d G U . . .
H63 H 0.1372 -0.0629 0.3552 0.099 Uiso 1 1 calc R U . . .
C127 C 0.2154(5) -0.0472(4) 0.3216(2) 0.082(4) Uani 1 1 d G . . . .
H127 H 0.1948 -0.0926 0.3112 0.098 Uiso 1 1 calc R U . . .
C2 C 0.2799(5) 0.0015(5) 0.31074(15) 0.072(4) Uani 1 1 d G . . . .
H2 H 0.3033 -0.0105 0.2929 0.087 Uiso 1 1 calc R U . . .
C129 C 0.3100(4) 0.0679(4) 0.32599(15) 0.048(2) Uani 1 1 d G . . . .
C65 C 0.2758(5) 0.0856(4) 0.35212(15) 0.066(3) Uani 1 1 d G . . . .
H65 H 0.2964 0.1310 0.3625 0.079 Uiso 1 1 calc R U . . .
C131 C 0.2114(5) 0.0368(6) 0.36300(15) 0.087(4) Uani 1 1 d G . . . .
H131 H 0.1880 0.0489 0.3809 0.105 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Cl1 2.639(2) . ?
Dy1 O1 2.265(5) . ?
Dy1 O2 2.263(6) . ?
Dy1 N4 2.627(6) . ?
Dy1 N2 2.639(6) . ?
Dy1 N6 2.644(7) . ?
Dy1 N5 2.680(7) . ?
Dy1 N1 2.635(7) . ?
Dy1 N3 2.629(7) . ?
Dy2 Cl2 2.669(3) . ?
Dy2 O1 2.258(5) . ?
Dy2 O2 2.237(6) . ?
Dy2 N12 2.598(7) . ?
Dy2 N8 2.668(8) . ?
Dy2 N11 2.630(7) . ?
Dy2 N10 2.631(7) . ?
Dy2 N9 2.642(7) . ?
Dy2 N7 2.638(7) . ?
O1 O2 1.532(8) . ?
N4 C1 1.257(11) . ?
N4 C8 1.505(10) . ?
N12 C16 1.261(11) . ?
N12 C32 1.481(11) . ?
N2 C12 1.479(10) . ?
N2 C84 1.270(11) . ?
N8 C4 1.272(12) . ?
N8 C64 1.492(12) . ?
N11 C52 1.485(11) . ?
N11 C58 1.258(12) . ?
N10 C26 1.342(12) . ?
N10 C48 1.345(12) . ?
N9 C10 1.268(11) . ?
N9 C124 1.477(11) . ?
N6 C24 1.318(11) . ?
N6 C28 1.352(12) . ?
N5 C34 1.476(10) . ?
N5 C54 1.285(11) . ?
C1 H1 0.9500 . ?
C1 C76 1.464(12) . ?
C4 H4 0.9500 . ?
C4 C36 1.465(14) . ?
N1 C62 1.480(11) . ?
N1 C126 1.272(12) . ?
C6 C34 1.507(11) . ?
C6 C42 1.370(13) . ?
C6 C94 1.398(13) . ?
C8 H8 1.0000 . ?
C8 C18 1.509(12) . ?
C8 C34 1.532(12) . ?
C10 H10 0.9500 . ?
C10 C26 1.449(13) . ?
C12 H12 1.0000 . ?
C12 C50 1.522(11) . ?
C12 C62 1.519(11) . ?
C14 H14 0.9500 . ?
C14 C18 1.371(13) . ?
C14 C100 1.392(15) . ?
C16 H16 0.9500 . ?
C16 C73 1.480(13) . ?
C18 C98 1.399(13) . ?
C20 C40 1.379(14) . ?
C20 C79 1.400(14) . ?
C20 B1 1.646(15) . ?
C22 H22 0.9500 . ?
C22 C26 1.398(13) . ?
C22 C44 1.389(14) . ?
C24 C126 1.479(13) . ?
C24 C132 1.412(13) . ?
N3 C76 1.340(11) . ?
N3 C96 1.330(12) . ?
C28 C54 1.455(13) . ?
C28 C88 1.414(12) . ?
C30 C62 1.525(11) . ?
C30 C86 1.371(14) . ?
C30 C102 1.383(14) . ?
C32 H32 1.0000 . ?
C32 C52 1.532(12) . ?
C32 C72 1.520(12) . ?
C34 H34 1.0000 . ?
C36 N7 1.325(11) . ?
C36 C97 1.391(13) . ?
C38 H38 0.9500 . ?
C38 C44 1.362(14) . ?
C38 C48 1.382(13) . ?
C40 H40 0.9500 . ?
C40 C17 1.435(15) . ?
N7 C73 1.337(12) . ?
C42 H42 0.9500 . ?
C42 C53 1.394(13) . ?
C44 H44 0.9500 . ?
C46 H46 0.9500 . ?
C46 C60 1.359(14) . ?
C46 C90 1.382(14) . ?
C48 C58 1.490(13) . ?
C50 C33 1.392(13) . ?
C50 C75 1.404(14) . ?
C52 H52 1.0000 . ?
C52 C92 1.537(12) . ?
C54 H54 0.9500 . ?
C56 C128 1.382(14) . ?
C56 C45 1.372(15) . ?
C56 B2 1.666(14) . ?
C58 H58 0.9500 . ?
C60 H60 0.9500 . ?
C60 C66 1.424(12) . ?
C62 H62 1.0000 . ?
C64 H64 1.0000 . ?
C64 C124 1.528(13) . ?
C64 C129 1.520(10) . ?
C66 C74 1.377(13) . ?
C66 B2 1.642(13) . ?
C68 H68 0.9500 . ?
C68 C82 1.383(15) . ?
C68 C92 1.386(13) . ?
C70 H70 0.9500 . ?
C70 C78 1.405(14) . ?
C70 C104 1.379(15) . ?
C72 C19 1.351(14) . ?
C72 C3 1.372(13) . ?
C74 H74 0.9500 . ?
C74 C106 1.389(13) . ?
C76 C89 1.399(12) . ?
C78 C39 1.415(15) . ?
C78 B2 1.620(15) . ?
C80 C81 1.387(14) . ?
C80 C85 1.413(14) . ?
C80 B1 1.651(14) . ?
C82 H82 0.9500 . ?
C82 C77 1.342(16) . ?
C84 H84 0.9500 . ?
C84 C96 1.470(12) . ?
C86 H86 0.9500 . ?
C86 C103 1.419(14) . ?
C88 H88 0.9500 . ?
C88 C118 1.399(13) . ?
C90 H90 0.9500 . ?
C90 C106 1.375(14) . ?
C92 C93 1.379(14) . ?
C94 H94 0.9500 . ?
C94 C67 1.380(13) . ?
C96 C95 1.404(13) . ?
C98 H98 0.9500 . ?
C98 C120 1.355(14) . ?
C100 H100 0.9500 . ?
C100 C49 1.354(18) . ?
C102 H102 0.9500 . ?
C102 C91 1.372(13) . ?
C104 H104 0.9500 . ?
C104 C69 1.390(18) . ?
C106 H106 0.9500 . ?
C108 H108 0.9500 . ?
C108 C33 1.402(14) . ?
C108 C71 1.355(16) . ?
C110 H110 0.9500 . ?
C110 C130 1.375(15) . ?
C110 C59 1.382(16) . ?
C112 H112 0.9500 . ?
C112 C81 1.372(15) . ?
C112 C47 1.37(2) . ?
C114 H114 0.9500 . ?
C114 C9 1.406(14) . ?
C114 C21 1.402(14) . ?
C116 H116 0.9500 . ?
C116 C35 1.374(15) . ?
C116 C43 1.412(15) . ?
C118 H118 0.9500 . ?
C118 C132 1.380(14) . ?
C120 H120 0.9500 . ?
C120 C49 1.388(18) . ?
C122 H122 0.9500 . ?
C122 C19 1.401(16) . ?
C122 C55 1.347(18) . ?
C124 H124 1.0000 . ?
C124 C130 1.528(13) . ?
C126 H126 0.9500 . ?
C128 H128 0.9500 . ?
C128 C51 1.399(15) . ?
C130 C113 1.368(16) . ?
C132 H132 0.9500 . ?
C33 H33 0.9500 . ?
C67 H67 0.9500 . ?
C67 C99 1.378(14) . ?
C17 H17 0.9500 . ?
C17 C29 1.393(17) . ?
C69 H69 0.9500 . ?
C69 C5 1.360(16) . ?
C35 H35 0.9500 . ?
C35 C41 1.398(18) . ?
C71 H71 0.9500 . ?
C71 C37 1.341(17) . ?
C9 H9 0.9500 . ?
C9 C111 1.389(15) . ?
C73 C87 1.405(13) . ?
C37 H37 0.9500 . ?
C37 C75 1.399(15) . ?
C75 H75 0.9500 . ?
C19 H19 0.9500 . ?
C77 H77 0.9500 . ?
C77 C115 1.395(15) . ?
C39 H39 0.9500 . ?
C39 C5 1.378(14) . ?
C79 H79 0.9500 . ?
C79 C107 1.380(16) . ?
C5 H5 0.9500 . ?
C81 H81 0.9500 . ?
C41 H41 0.9500 . ?
C41 C25 1.385(19) . ?
C83 H83 0.9500 . ?
C83 C91 1.369(17) . ?
C83 C103 1.392(18) . ?
C21 C11 1.379(13) . ?
C21 B1 1.649(14) . ?
C85 H85 0.9500 . ?
C85 C23 1.348(16) . ?
C43 C101 1.412(14) . ?
C43 B2 1.631(15) . ?
C87 H87 0.9500 . ?
C87 C125 1.394(15) . ?
C11 H11 0.9500 . ?
C11 C27 1.371(14) . ?
C89 H89 0.9500 . ?
C89 C109 1.394(15) . ?
C45 H45 0.9500 . ?
C45 C57 1.415(17) . ?
C91 H91 0.9500 . ?
C23 H23 0.9500 . ?
C23 C47 1.37(2) . ?
C93 H93 0.9500 . ?
C93 C115 1.392(14) . ?
C47 H47 0.9500 . ?
C95 H95 0.9500 . ?
C95 C109 1.379(15) . ?
C3 H3 0.9500 . ?
C3 C7 1.417(15) . ?
C97 H97 0.9500 . ?
C97 C125 1.398(15) . ?
C49 H49 0.9500 . ?
C99 H99 0.9500 . ?
C99 C53 1.374(14) . ?
C25 H25 0.9500 . ?
C25 C101 1.389(16) . ?
C101 H101 0.9500 . ?
C51 H51 0.9500 . ?
C51 C13 1.368(16) . ?
C103 H103 0.9500 . ?
C13 H13 0.9500 . ?
C13 C57 1.335(19) . ?
C105 H105 0.9500 . ?
C105 C117 1.38(2) . ?
C105 C59 1.34(2) . ?
B1 C61 1.696(12) . ?
C53 H53 0.9500 . ?
C107 H107 0.9500 . ?
C107 C29 1.331(17) . ?
C27 H27 0.9500 . ?
C27 C111 1.368(15) . ?
C109 H109 0.9500 . ?
C55 H55 0.9500 . ?
C55 C7 1.338(18) . ?
C111 H111 0.9500 . ?
C7 H7 0.9500 . ?
C113 H113 0.9500 . ?
C113 C117 1.360(19) . ?
C57 H57 0.9500 . ?
C115 H115 0.9500 . ?
C29 H29 0.9500 . ?
C117 H117 0.9500 . ?
C59 H59 0.9500 . ?
C119 H119 0.9500 . ?
C119 C15 1.3900 . ?
C119 C31 1.3900 . ?
C15 H15 0.9500 . ?
C15 C121 1.3900 . ?
C121 H121 0.9500 . ?
C121 C61 1.3900 . ?
C61 C123 1.3900 . ?
C123 H123 0.9500 . ?
C123 C31 1.3900 . ?
C31 H31 0.9500 . ?
C125 H125 0.9500 . ?
C63 H63 0.9500 . ?
C63 C127 1.3900 . ?
C63 C131 1.3900 . ?
C127 H127 0.9500 . ?
C127 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C129 1.3900 . ?
C129 C65 1.3900 . ?
C65 H65 0.9500 . ?
C65 C131 1.3900 . ?
C131 H131 0.9500 . ?

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
Cl1 Dy1 N6 77.65(16) . . ?
Cl1 Dy1 N5 79.65(16) . . ?
O1 Dy1 Cl1 161.89(15) . . ?
O1 Dy1 N4 80.8(2) . . ?
O1 Dy1 N2 115.3(2) . . ?
O1 Dy1 N6 90.5(2) . . ?
O1 Dy1 N5 82.6(2) . . ?
O1 Dy1 N1 91.9(2) . . ?
O1 Dy1 N3 115.9(2) . . ?
O2 Dy1 Cl1 158.34(16) . . ?
O2 Dy1 O1 39.54(19) . . ?
O2 Dy1 N4 89.1(2) . . ?
O2 Dy1 N2 77.7(2) . . ?
O2 Dy1 N6 118.9(2) . . ?
O2 Dy1 N5 119.9(2) . . ?
O2 Dy1 N1 83.7(2) . . ?
O2 Dy1 N3 87.8(2) . . ?
N4 Dy1 Cl1 93.66(16) . . ?
N4 Dy1 N2 120.4(2) . . ?
N4 Dy1 N6 121.5(2) . . ?
N4 Dy1 N5 60.4(2) . . ?
N4 Dy1 N1 172.3(2) . . ?
N4 Dy1 N3 60.6(2) . . ?
N2 Dy1 Cl1 82.40(17) . . ?
N2 Dy1 N6 115.6(2) . . ?
N2 Dy1 N5 162.0(2) . . ?
N6 Dy1 N5 61.1(2) . . ?
N1 Dy1 Cl1 94.08(17) . . ?
N1 Dy1 N2 60.5(2) . . ?
N1 Dy1 N6 60.7(2) . . ?
N1 Dy1 N5 121.4(2) . . ?
N3 Dy1 Cl1 75.0(2) . . ?
N3 Dy1 N2 61.1(2) . . ?
N3 Dy1 N6 152.7(2) . . ?
N3 Dy1 N5 112.9(2) . . ?
N3 Dy1 N1 121.5(2) . . ?
O1 Dy2 Cl2 158.76(16) . . ?
O1 Dy2 N12 82.7(2) . . ?
O1 Dy2 N8 116.2(2) . . ?
O1 Dy2 N11 77.0(2) . . ?
O1 Dy2 N10 92.2(2) . . ?
O1 Dy2 N9 93.7(2) . . ?
O1 Dy2 N7 119.2(2) . . ?
O2 Dy2 Cl2 161.22(16) . . ?
O2 Dy2 O1 39.8(2) . . ?
O2 Dy2 N12 91.5(2) . . ?
O2 Dy2 N8 78.1(2) . . ?
O2 Dy2 N11 115.1(2) . . ?
O2 Dy2 N10 120.1(2) . . ?
O2 Dy2 N9 84.6(2) . . ?
O2 Dy2 N7 90.9(2) . . ?
N12 Dy2 Cl2 90.95(18) . . ?
N12 Dy2 N8 120.0(2) . . ?
N12 Dy2 N11 60.8(2) . . ?
N12 Dy2 N10 121.4(2) . . ?
N12 Dy2 N9 176.0(2) . . ?
N12 Dy2 N7 61.3(2) . . ?
N8 Dy2 Cl2 84.56(18) . . ?
N11 Dy2 Cl2 82.22(17) . . ?
N11 Dy2 N8 166.8(2) . . ?
N11 Dy2 N10 61.1(2) . . ?
N11 Dy2 N9 120.3(2) . . ?
N11 Dy2 N7 116.1(2) . . ?
N10 Dy2 Cl2 73.75(16) . . ?
N10 Dy2 N8 114.4(2) . . ?
N10 Dy2 N9 60.5(2) . . ?
N10 Dy2 N7 147.7(2) . . ?
N9 Dy2 Cl2 93.01(17) . . ?
N9 Dy2 N8 59.9(2) . . ?
N7 Dy2 Cl2 74.04(17) . . ?
N7 Dy2 N8 60.1(2) . . ?
N7 Dy2 N9 119.4(2) . . ?
Dy2 O1 Dy1 139.5(3) . . ?
O2 O1 Dy1 70.2(3) . . ?
O2 O1 Dy2 69.4(3) . . ?
Dy2 O2 Dy1 141.1(3) . . ?
O1 O2 Dy1 70.3(3) . . ?
O1 O2 Dy2 70.8(3) . . ?
C1 N4 Dy1 121.9(6) . . ?
C1 N4 C8 121.3(7) . . ?
C8 N4 Dy1 115.6(5) . . ?
C16 N12 Dy2 122.9(6) . . ?
C16 N12 C32 118.9(7) . . ?
C32 N12 Dy2 118.0(5) . . ?
C12 N2 Dy1 123.7(5) . . ?
C84 N2 Dy1 120.1(5) . . ?
C84 N2 C12 115.1(7) . . ?
C4 N8 Dy2 121.0(6) . . ?
C4 N8 C64 113.5(8) . . ?
C64 N8 Dy2 124.2(5) . . ?
C52 N11 Dy2 123.5(5) . . ?
C58 N11 Dy2 121.4(6) . . ?
C58 N11 C52 114.6(7) . . ?
C26 N10 Dy2 120.8(6) . . ?
C26 N10 C48 116.7(7) . . ?
C48 N10 Dy2 121.2(6) . . ?
C10 N9 Dy2 121.1(6) . . ?
C10 N9 C124 120.3(8) . . ?
C124 N9 Dy2 118.2(5) . . ?
C24 N6 Dy1 121.5(6) . . ?
C24 N6 C28 116.9(7) . . ?
C28 N6 Dy1 121.2(5) . . ?
C34 N5 Dy1 122.2(5) . . ?
C54 N5 Dy1 120.3(6) . . ?
C54 N5 C34 117.1(7) . . ?
N4 C1 H1 120.0 . . ?
N4 C1 C76 120.0(8) . . ?
C76 C1 H1 120.0 . . ?
N8 C4 H4 120.6 . . ?
N8 C4 C36 118.7(8) . . ?
C36 C4 H4 120.6 . . ?
C62 N1 Dy1 118.0(5) . . ?
C126 N1 Dy1 122.5(6) . . ?
C126 N1 C62 119.4(7) . . ?
C42 C6 C34 121.3(8) . . ?
C42 C6 C94 117.4(8) . . ?
C94 C6 C34 121.1(8) . . ?
N4 C8 H8 107.4 . . ?
N4 C8 C18 115.5(7) . . ?
N4 C8 C34 104.8(6) . . ?
C18 C8 H8 107.4 . . ?
C18 C8 C34 113.9(7) . . ?
C34 C8 H8 107.4 . . ?
N9 C10 H10 120.0 . . ?
N9 C10 C26 120.0(8) . . ?
C26 C10 H10 120.0 . . ?
N2 C12 H12 107.9 . . ?
N2 C12 C50 112.3(7) . . ?
N2 C12 C62 109.5(6) . . ?
C50 C12 H12 107.9 . . ?
C62 C12 H12 107.9 . . ?
C62 C12 C50 111.2(7) . . ?
C18 C14 H14 119.8 . . ?
C18 C14 C100 120.4(11) . . ?
C100 C14 H14 119.8 . . ?
N12 C16 H16 120.9 . . ?
N12 C16 C73 118.3(8) . . ?
C73 C16 H16 120.9 . . ?
C14 C18 C8 118.1(9) . . ?
C14 C18 C98 118.8(9) . . ?
C98 C18 C8 123.1(8) . . ?
C40 C20 C79 116.4(10) . . ?
C40 C20 B1 123.9(9) . . ?
C79 C20 B1 119.7(9) . . ?
C26 C22 H22 120.1 . . ?
C44 C22 H22 120.1 . . ?
C44 C22 C26 119.8(9) . . ?
N6 C24 C126 116.3(8) . . ?
N6 C24 C132 124.4(8) . . ?
C132 C24 C126 119.2(8) . . ?
C76 N3 Dy1 121.4(5) . . ?
C96 N3 Dy1 120.3(6) . . ?
C96 N3 C76 116.9(7) . . ?
N10 C26 C10 115.1(8) . . ?
N10 C26 C22 122.3(9) . . ?
C22 C26 C10 122.4(9) . . ?
N6 C28 C54 116.3(8) . . ?
N6 C28 C88 123.4(8) . . ?
C88 C28 C54 120.2(9) . . ?
C86 C30 C62 119.3(9) . . ?
C86 C30 C102 118.9(8) . . ?
C102 C30 C62 121.8(9) . . ?
N12 C32 H32 106.3 . . ?
N12 C32 C52 107.6(7) . . ?
N12 C32 C72 115.1(7) . . ?
C52 C32 H32 106.3 . . ?
C72 C32 H32 106.3 . . ?
C72 C32 C52 114.6(7) . . ?
N5 C34 C6 116.9(7) . . ?
N5 C34 C8 104.9(6) . . ?
N5 C34 H34 106.8 . . ?
C6 C34 C8 114.0(7) . . ?
C6 C34 H34 106.8 . . ?
C8 C34 H34 106.8 . . ?
N7 C36 C4 115.9(8) . . ?
N7 C36 C97 124.0(9) . . ?
C97 C36 C4 120.1(9) . . ?
C44 C38 H38 120.1 . . ?
C44 C38 C48 119.8(10) . . ?
C48 C38 H38 120.1 . . ?
C20 C40 H40 119.3 . . ?
C20 C40 C17 121.5(10) . . ?
C17 C40 H40 119.3 . . ?
C36 N7 Dy2 121.5(6) . . ?
C36 N7 C73 117.8(8) . . ?
C73 N7 Dy2 119.3(6) . . ?
C6 C42 H42 119.1 . . ?
C6 C42 C53 121.8(9) . . ?
C53 C42 H42 119.1 . . ?
C22 C44 H44 121.2 . . ?
C38 C44 C22 117.6(9) . . ?
C38 C44 H44 121.2 . . ?
C60 C46 H46 120.5 . . ?
C60 C46 C90 118.9(9) . . ?
C90 C46 H46 120.5 . . ?
N10 C48 C38 123.7(9) . . ?
N10 C48 C58 113.9(8) . . ?
C38 C48 C58 122.4(9) . . ?
C33 C50 C12 120.9(8) . . ?
C33 C50 C75 119.0(9) . . ?
C75 C50 C12 120.0(8) . . ?
N11 C52 C32 109.4(7) . . ?
N11 C52 H52 107.7 . . ?
N11 C52 C92 112.3(7) . . ?
C32 C52 H52 107.7 . . ?
C32 C52 C92 111.8(7) . . ?
C92 C52 H52 107.7 . . ?
N5 C54 C28 120.3(8) . . ?
N5 C54 H54 119.8 . . ?
C28 C54 H54 119.8 . . ?
C128 C56 B2 122.6(9) . . ?
C45 C56 C128 113.2(10) . . ?
C45 C56 B2 123.9(9) . . ?
N11 C58 C48 120.4(8) . . ?
N11 C58 H58 119.8 . . ?
C48 C58 H58 119.8 . . ?
C46 C60 H60 117.6 . . ?
C46 C60 C66 124.8(9) . . ?
C66 C60 H60 117.6 . . ?
N1 C62 C12 107.5(7) . . ?
N1 C62 C30 117.7(7) . . ?
N1 C62 H62 106.7 . . ?
C12 C62 C30 111.1(7) . . ?
C12 C62 H62 106.7 . . ?
C30 C62 H62 106.7 . . ?
N8 C64 H64 108.6 . . ?
N8 C64 C124 108.4(7) . . ?
N8 C64 C129 112.5(8) . . ?
C124 C64 H64 108.6 . . ?
C129 C64 H64 108.6 . . ?
C129 C64 C124 110.2(7) . . ?
C60 C66 B2 118.1(8) . . ?
C74 C66 C60 113.4(8) . . ?
C74 C66 B2 128.5(8) . . ?
C82 C68 H68 120.7 . . ?
C82 C68 C92 118.5(10) . . ?
C92 C68 H68 120.7 . . ?
C78 C70 H70 118.2 . . ?
C104 C70 H70 118.2 . . ?
C104 C70 C78 123.6(12) . . ?
C19 C72 C32 118.9(9) . . ?
C19 C72 C3 117.9(9) . . ?
C3 C72 C32 123.2(8) . . ?
C66 C74 H74 118.4 . . ?
C66 C74 C106 123.3(9) . . ?
C106 C74 H74 118.4 . . ?
N3 C76 C1 114.5(7) . . ?
N3 C76 C89 124.4(8) . . ?
C89 C76 C1 121.1(8) . . ?
C70 C78 C39 114.1(10) . . ?
C70 C78 B2 124.9(9) . . ?
C39 C78 B2 120.9(9) . . ?
C81 C80 C85 113.8(9) . . ?
C81 C80 B1 123.1(9) . . ?
C85 C80 B1 123.1(9) . . ?
C68 C82 H82 118.2 . . ?
C77 C82 C68 123.7(10) . . ?
C77 C82 H82 118.2 . . ?
N2 C84 H84 120.1 . . ?
N2 C84 C96 119.8(8) . . ?
C96 C84 H84 120.1 . . ?
C30 C86 H86 119.5 . . ?
C30 C86 C103 121.1(11) . . ?
C103 C86 H86 119.5 . . ?
C28 C88 H88 121.0 . . ?
C118 C88 C28 118.0(9) . . ?
C118 C88 H88 121.0 . . ?
C46 C90 H90 120.4 . . ?
C106 C90 C46 119.1(9) . . ?
C106 C90 H90 120.4 . . ?
C68 C92 C52 120.9(8) . . ?
C93 C92 C52 119.7(8) . . ?
C93 C92 C68 119.3(9) . . ?
C6 C94 H94 119.3 . . ?
C67 C94 C6 121.4(9) . . ?
C67 C94 H94 119.3 . . ?
N3 C96 C84 115.6(8) . . ?
N3 C96 C95 123.8(9) . . ?
C95 C96 C84 120.6(8) . . ?
C18 C98 H98 119.9 . . ?
C120 C98 C18 120.3(10) . . ?
C120 C98 H98 119.9 . . ?
C14 C100 H100 119.9 . . ?
C49 C100 C14 120.2(11) . . ?
C49 C100 H100 119.9 . . ?
C30 C102 H102 119.4 . . ?
C91 C102 C30 121.1(10) . . ?
C91 C102 H102 119.4 . . ?
C70 C104 H104 120.1 . . ?
C70 C104 C69 119.8(11) . . ?
C69 C104 H104 120.1 . . ?
C74 C106 H106 119.8 . . ?
C90 C106 C74 120.4(9) . . ?
C90 C106 H106 119.8 . . ?
C33 C108 H108 120.4 . . ?
C71 C108 H108 120.4 . . ?
C71 C108 C33 119.2(10) . . ?
C130 C110 H110 120.0 . . ?
C130 C110 C59 120.0(12) . . ?
C59 C110 H110 120.0 . . ?
C81 C112 H112 119.8 . . ?
C47 C112 H112 119.8 . . ?
C47 C112 C81 120.5(13) . . ?
C9 C114 H114 117.8 . . ?
C21 C114 H114 117.8 . . ?
C21 C114 C9 124.3(9) . . ?
C35 C116 H116 118.6 . . ?
C35 C116 C43 122.8(11) . . ?
C43 C116 H116 118.6 . . ?
C88 C118 H118 120.6 . . ?
C132 C118 C88 118.9(9) . . ?
C132 C118 H118 120.6 . . ?
C98 C120 H120 119.7 . . ?
C98 C120 C49 120.5(11) . . ?
C49 C120 H120 119.7 . . ?
C19 C122 H122 118.8 . . ?
C55 C122 H122 118.8 . . ?
C55 C122 C19 122.4(12) . . ?
N9 C124 C64 108.0(7) . . ?
N9 C124 H124 107.3 . . ?
N9 C124 C130 114.5(8) . . ?
C64 C124 H124 107.3 . . ?
C64 C124 C130 112.0(7) . . ?
C130 C124 H124 107.3 . . ?
N1 C126 C24 118.4(8) . . ?
N1 C126 H126 120.8 . . ?
C24 C126 H126 120.8 . . ?
C56 C128 H128 117.9 . . ?
C56 C128 C51 124.3(11) . . ?
C51 C128 H128 117.9 . . ?
C110 C130 C124 121.4(9) . . ?
C113 C130 C110 118.2(10) . . ?
C113 C130 C124 120.4(10) . . ?
C24 C132 H132 120.8 . . ?
C118 C132 C24 118.4(9) . . ?
C118 C132 H132 120.8 . . ?
C50 C33 C108 120.2(10) . . ?
C50 C33 H33 119.9 . . ?
C108 C33 H33 119.9 . . ?
C94 C67 H67 120.1 . . ?
C99 C67 C94 119.9(10) . . ?
C99 C67 H67 120.1 . . ?
C40 C17 H17 120.7 . . ?
C29 C17 C40 118.6(11) . . ?
C29 C17 H17 120.7 . . ?
C104 C69 H69 120.7 . . ?
C5 C69 C104 118.6(11) . . ?
C5 C69 H69 120.7 . . ?
C116 C35 H35 119.7 . . ?
C116 C35 C41 120.6(12) . . ?
C41 C35 H35 119.7 . . ?
C108 C71 H71 119.1 . . ?
C37 C71 C108 121.9(11) . . ?
C37 C71 H71 119.1 . . ?
C114 C9 H9 121.0 . . ?
C111 C9 C114 117.9(10) . . ?
C111 C9 H9 121.0 . . ?
N7 C73 C16 116.1(8) . . ?
N7 C73 C87 123.2(9) . . ?
C87 C73 C16 120.7(9) . . ?
C71 C37 H37 119.5 . . ?
C71 C37 C75 121.1(12) . . ?
C75 C37 H37 119.5 . . ?
C50 C75 H75 120.7 . . ?
C37 C75 C50 118.6(10) . . ?
C37 C75 H75 120.7 . . ?
C72 C19 C122 120.8(11) . . ?
C72 C19 H19 119.6 . . ?
C122 C19 H19 119.6 . . ?
C82 C77 H77 121.1 . . ?
C82 C77 C115 117.9(10) . . ?
C115 C77 H77 121.1 . . ?
C78 C39 H39 118.9 . . ?
C5 C39 C78 122.2(11) . . ?
C5 C39 H39 118.9 . . ?
C20 C79 H79 119.1 . . ?
C107 C79 C20 121.9(11) . . ?
C107 C79 H79 119.1 . . ?
C69 C5 C39 121.7(12) . . ?
C69 C5 H5 119.1 . . ?
C39 C5 H5 119.1 . . ?
C80 C81 H81 118.6 . . ?
C112 C81 C80 122.8(11) . . ?
C112 C81 H81 118.6 . . ?
C35 C41 H41 120.4 . . ?
C25 C41 C35 119.2(11) . . ?
C25 C41 H41 120.4 . . ?
C91 C83 H83 119.7 . . ?
C91 C83 C103 120.6(10) . . ?
C103 C83 H83 119.7 . . ?
C114 C21 B1 120.2(9) . . ?
C11 C21 C114 113.0(9) . . ?
C11 C21 B1 126.7(9) . . ?
C80 C85 H85 117.9 . . ?
C23 C85 C80 124.3(13) . . ?
C23 C85 H85 117.9 . . ?
C116 C43 C101 114.3(10) . . ?
C116 C43 B2 125.7(9) . . ?
C101 C43 B2 119.8(10) . . ?
C73 C87 H87 121.0 . . ?
C125 C87 C73 118.1(10) . . ?
C125 C87 H87 121.0 . . ?
C21 C11 H11 117.5 . . ?
C27 C11 C21 125.1(10) . . ?
C27 C11 H11 117.5 . . ?
C76 C89 H89 121.6 . . ?
C109 C89 C76 116.8(9) . . ?
C109 C89 H89 121.6 . . ?
C56 C45 H45 117.9 . . ?
C56 C45 C57 124.2(12) . . ?
C57 C45 H45 117.9 . . ?
C102 C91 H91 119.8 . . ?
C83 C91 C102 120.4(11) . . ?
C83 C91 H91 119.8 . . ?
C85 C23 H23 120.3 . . ?
C85 C23 C47 119.4(12) . . ?
C47 C23 H23 120.3 . . ?
C92 C93 H93 119.8 . . ?
C92 C93 C115 120.4(10) . . ?
C115 C93 H93 119.8 . . ?
C112 C47 C23 119.1(11) . . ?
C112 C47 H47 120.4 . . ?
C23 C47 H47 120.4 . . ?
C96 C95 H95 121.1 . . ?
C109 C95 C96 117.9(10) . . ?
C109 C95 H95 121.1 . . ?
C72 C3 H3 120.3 . . ?
C72 C3 C7 119.3(10) . . ?
C7 C3 H3 120.3 . . ?
C36 C97 H97 120.9 . . ?
C36 C97 C125 118.3(10) . . ?
C125 C97 H97 120.9 . . ?
C100 C49 C120 119.7(11) . . ?
C100 C49 H49 120.1 . . ?
C120 C49 H49 120.1 . . ?
C67 C99 H99 120.1 . . ?
C53 C99 C67 119.9(9) . . ?
C53 C99 H99 120.1 . . ?
C41 C25 H25 120.5 . . ?
C41 C25 C101 119.0(12) . . ?
C101 C25 H25 120.5 . . ?
C43 C101 H101 118.0 . . ?
C25 C101 C43 123.9(12) . . ?
C25 C101 H101 118.0 . . ?
C128 C51 H51 120.5 . . ?
C13 C51 C128 119.0(11) . . ?
C13 C51 H51 120.5 . . ?
C86 C103 H103 121.0 . . ?
C83 C103 C86 117.9(11) . . ?
C83 C103 H103 121.0 . . ?
C51 C13 H13 120.0 . . ?
C57 C13 C51 119.9(12) . . ?
C57 C13 H13 120.0 . . ?
C117 C105 H105 120.3 . . ?
C59 C105 H105 120.3 . . ?
C59 C105 C117 119.4(12) . . ?
C20 B1 C80 111.5(8) . . ?
C20 B1 C21 109.0(8) . . ?
C20 B1 C61 108.0(7) . . ?
C80 B1 C61 111.5(8) . . ?
C21 B1 C80 105.8(8) . . ?
C21 B1 C61 111.1(8) . . ?
C42 C53 H53 120.2 . . ?
C99 C53 C42 119.6(9) . . ?
C99 C53 H53 120.2 . . ?
C79 C107 H107 119.1 . . ?
C29 C107 C79 121.8(11) . . ?
C29 C107 H107 119.1 . . ?
C11 C27 H27 120.0 . . ?
C111 C27 C11 120.0(10) . . ?
C111 C27 H27 120.0 . . ?
C89 C109 H109 120.0 . . ?
C95 C109 C89 120.0(10) . . ?
C95 C109 H109 120.0 . . ?
C122 C55 H55 121.6 . . ?
C7 C55 C122 116.7(11) . . ?
C7 C55 H55 121.6 . . ?
C9 C111 H111 120.3 . . ?
C27 C111 C9 119.4(10) . . ?
C27 C111 H111 120.3 . . ?
C3 C7 H7 118.6 . . ?
C55 C7 C3 122.8(12) . . ?
C55 C7 H7 118.6 . . ?
C130 C113 H113 119.1 . . ?
C117 C113 C130 121.7(13) . . ?
C117 C113 H113 119.1 . . ?
C66 B2 C56 111.2(8) . . ?
C78 B2 C56 110.1(8) . . ?
C78 B2 C66 105.4(8) . . ?
C78 B2 C43 110.1(8) . . ?
C43 B2 C56 107.6(8) . . ?
C43 B2 C66 112.6(8) . . ?
C45 C57 H57 120.3 . . ?
C13 C57 C45 119.4(13) . . ?
C13 C57 H57 120.3 . . ?
C77 C115 H115 119.9 . . ?
C93 C115 C77 120.1(10) . . ?
C93 C115 H115 119.9 . . ?
C17 C29 H29 120.1 . . ?
C107 C29 C17 119.8(11) . . ?
C107 C29 H29 120.1 . . ?
C105 C117 H117 120.2 . . ?
C113 C117 C105 119.6(14) . . ?
C113 C117 H117 120.2 . . ?
C110 C59 H59 119.5 . . ?
C105 C59 C110 121.1(13) . . ?
C105 C59 H59 119.5 . . ?
C15 C119 H119 120.0 . . ?
C15 C119 C31 120.0 . . ?
C31 C119 H119 120.0 . . ?
C119 C15 H15 120.0 . . ?
C119 C15 C121 120.0 . . ?
C121 C15 H15 120.0 . . ?
C15 C121 H121 120.0 . . ?
C61 C121 C15 120.0 . . ?
C61 C121 H121 120.0 . . ?
C121 C61 B1 117.4(6) . . ?
C121 C61 C123 120.0 . . ?
C123 C61 B1 122.5(6) . . ?
C61 C123 H123 120.0 . . ?
C31 C123 C61 120.0 . . ?
C31 C123 H123 120.0 . . ?
C119 C31 H31 120.0 . . ?
C123 C31 C119 120.0 . . ?
C123 C31 H31 120.0 . . ?
C87 C125 C97 118.6(10) . . ?
C87 C125 H125 120.7 . . ?
C97 C125 H125 120.7 . . ?
C127 C63 H63 120.0 . . ?
C127 C63 C131 120.0 . . ?
C131 C63 H63 120.0 . . ?
C63 C127 H127 120.0 . . ?
C2 C127 C63 120.0 . . ?
C2 C127 H127 120.0 . . ?
C127 C2 H2 120.0 . . ?
C129 C2 C127 120.0 . . ?
C129 C2 H2 120.0 . . ?
C2 C129 C64 121.0(6) . . ?
C2 C129 C65 120.0 . . ?
C65 C129 C64 119.0(6) . . ?
C129 C65 H65 120.0 . . ?
C131 C65 C129 120.0 . . ?
C131 C65 H65 120.0 . . ?
C63 C131 H131 120.0 . . ?
C65 C131 C63 120.0 . . ?
C65 C131 H131 120.0 . . ?

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
Dy1 O1 O2 Dy2 -178.8(2) . . . . ?
Dy1 N4 C1 C76 8.7(12) . . . . ?
Dy1 N4 C8 C18 -173.0(5) . . . . ?
Dy1 N4 C8 C34 60.9(7) . . . . ?
Dy1 N2 C12 C50 141.9(6) . . . . ?
Dy1 N2 C12 C62 17.8(9) . . . . ?
Dy1 N2 C84 C96 -13.2(13) . . . . ?
Dy1 N6 C24 C126 -7.5(11) . . . . ?
Dy1 N6 C24 C132 172.7(7) . . . . ?
Dy1 N6 C28 C54 7.4(11) . . . . ?
Dy1 N6 C28 C88 -173.3(7) . . . . ?
Dy1 N5 C34 C6 160.5(5) . . . . ?
Dy1 N5 C34 C8 33.0(8) . . . . ?
Dy1 N5 C54 C28 -6.0(12) . . . . ?
Dy1 N1 C62 C12 52.6(8) . . . . ?
Dy1 N1 C62 C30 178.8(6) . . . . ?
Dy1 N1 C126 C24 5.8(11) . . . . ?
Dy1 N3 C76 C1 -12.1(11) . . . . ?
Dy1 N3 C76 C89 168.9(8) . . . . ?
Dy1 N3 C96 C84 14.9(13) . . . . ?
Dy1 N3 C96 C95 -166.9(10) . . . . ?
Dy2 O1 O2 Dy1 178.8(2) . . . . ?
Dy2 N12 C16 C73 8.0(12) . . . . ?
Dy2 N12 C32 C52 53.5(8) . . . . ?
Dy2 N12 C32 C72 -177.5(5) . . . . ?
Dy2 N8 C4 C36 -12.5(12) . . . . ?
Dy2 N8 C64 C124 15.3(10) . . . . ?
Dy2 N8 C64 C129 137.4(6) . . . . ?
Dy2 N11 C52 C32 12.1(9) . . . . ?
Dy2 N11 C52 C92 136.8(6) . . . . ?
Dy2 N11 C58 C48 -7.7(12) . . . . ?
Dy2 N10 C26 C10 -15.9(11) . . . . ?
Dy2 N10 C26 C22 167.7(7) . . . . ?
Dy2 N10 C48 C38 -167.9(8) . . . . ?
Dy2 N10 C48 C58 14.0(10) . . . . ?
Dy2 N9 C10 C26 8.6(12) . . . . ?
Dy2 N9 C124 C64 54.3(8) . . . . ?
Dy2 N9 C124 C130 179.8(6) . . . . ?
Dy2 N7 C73 C16 -15.3(11) . . . . ?
Dy2 N7 C73 C87 164.5(8) . . . . ?
N4 C1 C76 N3 2.3(14) . . . . ?
N4 C1 C76 C89 -178.7(9) . . . . ?
N4 C8 C18 C14 104.5(9) . . . . ?
N4 C8 C18 C98 -75.7(11) . . . . ?
N4 C8 C34 N5 -56.6(8) . . . . ?
N4 C8 C34 C6 174.3(7) . . . . ?
N12 C16 C73 N7 5.2(14) . . . . ?
N12 C16 C73 C87 -174.6(10) . . . . ?
N12 C32 C52 N11 -39.2(9) . . . . ?
N12 C32 C52 C92 -164.1(7) . . . . ?
N12 C32 C72 C19 83.8(11) . . . . ?
N12 C32 C72 C3 -94.7(11) . . . . ?
N2 C12 C50 C33 111.6(9) . . . . ?
N2 C12 C50 C75 -66.8(11) . . . . ?
N2 C12 C62 N1 -42.4(9) . . . . ?
N2 C12 C62 C30 -172.4(7) . . . . ?
N2 C84 C96 N3 -1.1(15) . . . . ?
N2 C84 C96 C95 -179.4(11) . . . . ?
N8 C4 C36 N7 -1.2(14) . . . . ?
N8 C4 C36 C97 178.3(9) . . . . ?
N8 C64 C124 N9 -41.5(10) . . . . ?
N8 C64 C124 C130 -168.6(8) . . . . ?
N8 C64 C129 C2 124.8(7) . . . . ?
N8 C64 C129 C65 -57.1(9) . . . . ?
N11 C52 C92 C68 117.4(9) . . . . ?
N11 C52 C92 C93 -60.0(11) . . . . ?
N10 C48 C58 N11 -4.1(13) . . . . ?
N9 C10 C26 N10 4.7(13) . . . . ?
N9 C10 C26 C22 -178.9(9) . . . . ?
N9 C124 C130 C110 -84.5(11) . . . . ?
N9 C124 C130 C113 98.3(13) . . . . ?
N6 C24 C126 N1 1.1(13) . . . . ?
N6 C24 C132 C118 0.8(15) . . . . ?
N6 C28 C54 N5 -0.8(13) . . . . ?
N6 C28 C88 C118 0.2(14) . . . . ?
C1 N4 C8 C18 19.4(12) . . . . ?
C1 N4 C8 C34 -106.7(9) . . . . ?
C1 C76 C89 C109 176.7(11) . . . . ?
C4 N8 C64 C124 -178.0(8) . . . . ?
C4 N8 C64 C129 -56.0(11) . . . . ?
C4 C36 N7 Dy2 14.5(11) . . . . ?
C4 C36 N7 C73 -179.7(9) . . . . ?
C4 C36 C97 C125 -179.0(10) . . . . ?
C6 C42 C53 C99 -2.0(16) . . . . ?
C6 C94 C67 C99 1.2(17) . . . . ?
C8 N4 C1 C76 175.5(8) . . . . ?
C8 C18 C98 C120 178.7(9) . . . . ?
C10 N9 C124 C64 -118.9(9) . . . . ?
C10 N9 C124 C130 6.6(12) . . . . ?
C12 N2 C84 C96 178.0(8) . . . . ?
C12 C50 C33 C108 -177.9(8) . . . . ?
C12 C50 C75 C37 177.6(9) . . . . ?
C14 C18 C98 C120 -1.6(14) . . . . ?
C14 C100 C49 C120 -2.2(19) . . . . ?
C16 N12 C32 C52 -121.7(9) . . . . ?
C16 N12 C32 C72 7.4(12) . . . . ?
C16 C73 C87 C125 -179.1(10) . . . . ?
C18 C8 C34 N5 176.3(7) . . . . ?
C18 C8 C34 C6 47.1(10) . . . . ?
C18 C14 C100 C49 -0.7(18) . . . . ?
C18 C98 C120 C49 -1.4(16) . . . . ?
C20 C40 C17 C29 0.5(16) . . . . ?
C20 C79 C107 C29 -2.4(19) . . . . ?
C20 B1 C61 C121 38.7(9) . . . . ?
C20 B1 C61 C123 -144.8(7) . . . . ?
C24 N6 C28 C54 -179.7(8) . . . . ?
C24 N6 C28 C88 -0.4(13) . . . . ?
N3 C76 C89 C109 -4.4(17) . . . . ?
N3 C96 C95 C109 0(2) . . . . ?
C26 N10 C48 C38 -0.7(14) . . . . ?
C26 N10 C48 C58 -178.8(8) . . . . ?
C26 C22 C44 C38 0.4(16) . . . . ?
C28 N6 C24 C126 179.7(8) . . . . ?
C28 N6 C24 C132 -0.2(13) . . . . ?
C28 C88 C118 C132 0.5(15) . . . . ?
C30 C86 C103 C83 3.5(17) . . . . ?
C30 C102 C91 C83 0.4(15) . . . . ?
C32 N12 C16 C73 -177.2(8) . . . . ?
C32 C52 C92 C68 -119.2(9) . . . . ?
C32 C52 C92 C93 63.4(11) . . . . ?
C32 C72 C19 C122 -176.6(10) . . . . ?
C32 C72 C3 C7 177.7(10) . . . . ?
C34 N5 C54 C28 -178.9(8) . . . . ?
C34 C6 C42 C53 178.4(9) . . . . ?
C34 C6 C94 C67 -178.0(9) . . . . ?
C34 C8 C18 C14 -134.1(9) . . . . ?
C34 C8 C18 C98 45.6(11) . . . . ?
C36 N7 C73 C16 178.6(8) . . . . ?
C36 N7 C73 C87 -1.6(15) . . . . ?
C36 C97 C125 C87 -0.9(17) . . . . ?
C38 C48 C58 N11 177.7(9) . . . . ?
C40 C20 C79 C107 2.7(16) . . . . ?
C40 C20 B1 C80 -8.7(13) . . . . ?
C40 C20 B1 C21 107.7(10) . . . . ?
C40 C20 B1 C61 -131.5(9) . . . . ?
C40 C17 C29 C107 0.0(18) . . . . ?
N7 C36 C97 C125 0.4(16) . . . . ?
N7 C73 C87 C125 1.1(17) . . . . ?
C42 C6 C34 N5 -60.4(11) . . . . ?
C42 C6 C34 C8 62.5(11) . . . . ?
C42 C6 C94 C67 -2.3(15) . . . . ?
C44 C22 C26 N10 -0.4(16) . . . . ?
C44 C22 C26 C10 -176.6(10) . . . . ?
C44 C38 C48 N10 0.8(16) . . . . ?
C44 C38 C48 C58 178.8(10) . . . . ?
C46 C60 C66 C74 -1.3(14) . . . . ?
C46 C60 C66 B2 178.8(9) . . . . ?
C46 C90 C106 C74 -1.8(15) . . . . ?
C48 N10 C26 C10 176.9(8) . . . . ?
C48 N10 C26 C22 0.5(13) . . . . ?
C48 C38 C44 C22 -0.6(16) . . . . ?
C50 C12 C62 N1 -167.2(7) . . . . ?
C50 C12 C62 C30 62.8(9) . . . . ?
C52 N11 C58 C48 -179.7(8) . . . . ?
C52 C32 C72 C19 -150.7(9) . . . . ?
C52 C32 C72 C3 30.9(13) . . . . ?
C52 C92 C93 C115 178.9(9) . . . . ?
C54 N5 C34 C6 -26.7(11) . . . . ?
C54 N5 C34 C8 -154.2(8) . . . . ?
C54 C28 C88 C118 179.5(9) . . . . ?
C56 C128 C51 C13 -3.0(18) . . . . ?
C56 C45 C57 C13 -2(3) . . . . ?
C58 N11 C52 C32 -176.1(8) . . . . ?
C58 N11 C52 C92 -51.4(10) . . . . ?
C60 C46 C90 C106 0.4(14) . . . . ?
C60 C66 C74 C106 -0.1(13) . . . . ?
C60 C66 B2 C56 171.5(8) . . . . ?
C60 C66 B2 C78 52.3(11) . . . . ?
C60 C66 B2 C43 -67.7(11) . . . . ?
C62 N1 C126 C24 -177.1(8) . . . . ?
C62 C12 C50 C33 -125.3(9) . . . . ?
C62 C12 C50 C75 56.3(11) . . . . ?
C62 C30 C86 C103 175.8(10) . . . . ?
C62 C30 C102 C91 -177.7(9) . . . . ?
C64 N8 C4 C36 -179.7(8) . . . . ?
C64 C124 C130 C110 38.9(13) . . . . ?
C64 C124 C130 C113 -138.3(12) . . . . ?
C64 C129 C65 C131 -178.1(8) . . . . ?
C66 C74 C106 C90 1.7(15) . . . . ?
C68 C82 C77 C115 -1.0(17) . . . . ?
C68 C92 C93 C115 1.5(16) . . . . ?
C70 C78 C39 C5 -1.3(14) . . . . ?
C70 C78 B2 C56 125.6(10) . . . . ?
C70 C78 B2 C66 -114.4(10) . . . . ?
C70 C78 B2 C43 7.2(13) . . . . ?
C70 C104 C69 C5 0.5(17) . . . . ?
C72 C32 C52 N11 -168.5(7) . . . . ?
C72 C32 C52 C92 66.5(10) . . . . ?
C72 C3 C7 C55 0(2) . . . . ?
C74 C66 B2 C56 -8.4(13) . . . . ?
C74 C66 B2 C78 -127.6(10) . . . . ?
C74 C66 B2 C43 112.4(11) . . . . ?
C76 N3 C96 C84 -178.1(9) . . . . ?
C76 N3 C96 C95 0.2(17) . . . . ?
C76 C89 C109 C95 5(2) . . . . ?
C78 C70 C104 C69 1.1(18) . . . . ?
C78 C39 C5 C69 3.0(17) . . . . ?
C80 C85 C23 C47 0.5(18) . . . . ?
C80 B1 C61 C121 -84.2(8) . . . . ?
C80 B1 C61 C123 92.3(9) . . . . ?
C82 C68 C92 C52 -178.8(8) . . . . ?
C82 C68 C92 C93 -1.4(14) . . . . ?
C82 C77 C115 C93 1.0(17) . . . . ?
C84 N2 C12 C50 -49.7(11) . . . . ?
C84 N2 C12 C62 -173.8(8) . . . . ?
C84 C96 C95 C109 178.5(12) . . . . ?
C86 C30 C62 N1 115.0(10) . . . . ?
C86 C30 C62 C12 -120.6(10) . . . . ?
C86 C30 C102 C91 0.9(15) . . . . ?
C88 C28 C54 N5 179.8(9) . . . . ?
C88 C118 C132 C24 -1.0(16) . . . . ?
C90 C46 C60 C66 1.2(15) . . . . ?
C92 C68 C82 C77 1.2(16) . . . . ?
C92 C93 C115 C77 -1.3(17) . . . . ?
C94 C6 C34 N5 115.2(10) . . . . ?
C94 C6 C34 C8 -122.0(9) . . . . ?
C94 C6 C42 C53 2.6(15) . . . . ?
C94 C67 C99 C53 -0.5(17) . . . . ?
C96 N3 C76 C1 -179.0(9) . . . . ?
C96 N3 C76 C89 2.0(15) . . . . ?
C96 C95 C109 C89 -3(2) . . . . ?
C98 C120 C49 C100 3.2(18) . . . . ?
C100 C14 C18 C8 -177.6(9) . . . . ?
C100 C14 C18 C98 2.6(15) . . . . ?
C102 C30 C62 N1 -66.4(11) . . . . ?
C102 C30 C62 C12 58.0(11) . . . . ?
C102 C30 C86 C103 -2.9(16) . . . . ?
C104 C70 C78 C39 -0.6(15) . . . . ?
C104 C70 C78 B2 175.2(10) . . . . ?
C104 C69 C5 C39 -2.5(17) . . . . ?
C108 C71 C37 C75 -0.6(18) . . . . ?
C110 C130 C113 C117 2(2) . . . . ?
C114 C9 C111 C27 -1.6(17) . . . . ?
C114 C21 C11 C27 -1.7(15) . . . . ?
C114 C21 B1 C20 -170.2(8) . . . . ?
C114 C21 B1 C80 -50.2(12) . . . . ?
C114 C21 B1 C61 70.9(11) . . . . ?
C116 C35 C41 C25 1.8(17) . . . . ?
C116 C43 C101 C25 3.5(17) . . . . ?
C116 C43 B2 C56 141.4(10) . . . . ?
C116 C43 B2 C66 18.6(15) . . . . ?
C116 C43 B2 C78 -98.7(12) . . . . ?
C122 C55 C7 C3 0(2) . . . . ?
C124 N9 C10 C26 -178.4(8) . . . . ?
C124 C64 C129 C2 -114.1(8) . . . . ?
C124 C64 C129 C65 63.9(9) . . . . ?
C124 C130 C113 C117 179.1(15) . . . . ?
C126 N1 C62 C12 -124.7(8) . . . . ?
C126 N1 C62 C30 1.5(12) . . . . ?
C126 C24 C132 C118 -179.0(9) . . . . ?
C128 C56 C45 C57 0(2) . . . . ?
C128 C56 B2 C66 55.5(12) . . . . ?
C128 C56 B2 C78 171.9(9) . . . . ?
C128 C56 B2 C43 -68.2(12) . . . . ?
C128 C51 C13 C57 1(2) . . . . ?
C130 C110 C59 C105 4(2) . . . . ?
C130 C113 C117 C105 -1(3) . . . . ?
C132 C24 C126 N1 -179.0(9) . . . . ?
C33 C50 C75 C37 -0.8(15) . . . . ?
C33 C108 C71 C37 0.2(17) . . . . ?
C67 C99 C53 C42 0.9(16) . . . . ?
C35 C116 C43 C101 -3.5(16) . . . . ?
C35 C116 C43 B2 171.3(10) . . . . ?
C35 C41 C25 C101 -1.8(18) . . . . ?
C71 C108 C33 C50 -0.2(15) . . . . ?
C71 C37 C75 C50 0.8(18) . . . . ?
C9 C114 C21 C11 4.3(15) . . . . ?
C9 C114 C21 B1 -176.1(10) . . . . ?
C73 C87 C125 C97 0.2(18) . . . . ?
C75 C50 C33 C108 0.5(14) . . . . ?
C19 C72 C3 C7 -0.8(17) . . . . ?
C19 C122 C55 C7 1(2) . . . . ?
C39 C78 B2 C56 -58.8(11) . . . . ?
C39 C78 B2 C66 61.2(11) . . . . ?
C39 C78 B2 C43 -177.2(9) . . . . ?
C79 C20 C40 C17 -1.7(14) . . . . ?
C79 C20 B1 C80 173.4(9) . . . . ?
C79 C20 B1 C21 -70.2(11) . . . . ?
C79 C20 B1 C61 50.6(11) . . . . ?
C79 C107 C29 C17 1.0(19) . . . . ?
C81 C80 C85 C23 -0.3(16) . . . . ?
C81 C80 B1 C20 72.4(12) . . . . ?
C81 C80 B1 C21 -46.0(13) . . . . ?
C81 C80 B1 C61 -166.9(9) . . . . ?
C81 C112 C47 C23 -3.2(18) . . . . ?
C41 C25 C101 C43 -1.0(19) . . . . ?
C21 C114 C9 C111 -2.8(17) . . . . ?
C21 C11 C27 C111 -2.4(18) . . . . ?
C21 B1 C61 C121 158.1(6) . . . . ?
C21 B1 C61 C123 -25.4(10) . . . . ?
C85 C80 C81 C112 -1.7(16) . . . . ?
C85 C80 B1 C20 -107.2(11) . . . . ?
C85 C80 B1 C21 134.4(10) . . . . ?
C85 C80 B1 C61 13.5(13) . . . . ?
C85 C23 C47 C112 1.3(18) . . . . ?
C43 C116 C35 C41 1.0(17) . . . . ?
C11 C21 B1 C20 9.4(13) . . . . ?
C11 C21 B1 C80 129.4(10) . . . . ?
C11 C21 B1 C61 -109.5(11) . . . . ?
C11 C27 C111 C9 4.1(17) . . . . ?
C45 C56 C128 C51 2.6(17) . . . . ?
C45 C56 B2 C66 -130.4(12) . . . . ?
C45 C56 B2 C78 -14.0(15) . . . . ?
C45 C56 B2 C43 105.9(13) . . . . ?
C91 C83 C103 C86 -2.1(18) . . . . ?
C47 C112 C81 C80 3.5(18) . . . . ?
C3 C72 C19 C122 2.0(17) . . . . ?
C97 C36 N7 Dy2 -165.0(7) . . . . ?
C97 C36 N7 C73 0.8(14) . . . . ?
C101 C43 B2 C56 -44.1(13) . . . . ?
C101 C43 B2 C66 -166.9(9) . . . . ?
C101 C43 B2 C78 75.9(12) . . . . ?
C51 C13 C57 C45 1(3) . . . . ?
C103 C83 C91 C102 0.2(17) . . . . ?
B1 C20 C40 C17 -179.7(9) . . . . ?
B1 C20 C79 C107 -179.3(10) . . . . ?
B1 C80 C81 C112 178.7(10) . . . . ?
B1 C80 C85 C23 179.3(10) . . . . ?
B1 C21 C11 C27 178.7(10) . . . . ?
B1 C61 C123 C31 -176.4(8) . . . . ?
C55 C122 C19 C72 -2(2) . . . . ?
B2 C56 C128 C51 177.3(10) . . . . ?
B2 C56 C45 C57 -174.8(15) . . . . ?
B2 C66 C74 C106 179.8(9) . . . . ?
B2 C78 C39 C5 -177.3(10) . . . . ?
B2 C43 C101 C25 -171.6(11) . . . . ?
C117 C105 C59 C110 -3(2) . . . . ?
C59 C110 C130 C124 179.6(10) . . . . ?
C59 C110 C130 C113 -3.1(18) . . . . ?
C59 C105 C117 C113 1(3) . . . . ?
C119 C15 C121 C61 0.0 . . . . ?
C15 C119 C31 C123 0.0 . . . . ?
C15 C121 C61 B1 176.6(7) . . . . ?
C15 C121 C61 C123 0.0 . . . . ?
C121 C61 C123 C31 0.0 . . . . ?
C61 C123 C31 C119 0.0 . . . . ?
C31 C119 C15 C121 0.0 . . . . ?
C63 C127 C2 C129 0.0 . . . . ?
C127 C63 C131 C65 0.0 . . . . ?
C127 C2 C129 C64 178.0(8) . . . . ?
C127 C2 C129 C65 0.0 . . . . ?
C2 C129 C65 C131 0.0 . . . . ?
C129 C64 C124 N9 -165.0(7) . . . . ?
C129 C64 C124 C130 67.9(10) . . . . ?
C129 C65 C131 C63 0.0 . . . . ?
C131 C63 C127 C2 0.0 . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 512 electrons were 
found in a volume of 2388Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
6[CH3CN] per Formula Unit 
which account for 528 electrons 
per unit cell.
;
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 0.295 0.166 -0.138 588.4 127.8 '6 CH3CN'
2 0.205 -0.166 0.362 588.4 128.5 '6 CH3CN'
3 -0.295 -0.334 0.638 588.4 127.5 '6 CH3CN'
4 0.005 0.263 0.289 8.9 0.0 ?
5 -0.205 0.334 0.138 588.4 128.7 '6 CH3CN'
6 -0.005 0.763 0.211 8.9 0.1 ?
7 0.495 0.737 0.789 8.9 0.1 ?
8 0.505 0.237 0.711 8.9 0.0 ?

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

# start Validation Reply Form
_vrf_PLAT910_4                   
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min). 11 Note 
RESPONSE: The missing FCF reflections below theta(min) were caused by the 
high beamstop theta(min) limit set.
;
_vrf_PLAT971_4                   
;
PROBLEM: Check Calcd Resid. Dens. 0.99Ang From Dy1 2.82 eA-3
Check Calcd Resid. Dens. 1.06Ang From Dy2 2.72 eA-3
RESPONSE: It is caused by the presence of the heavy atoms and evidently 
relatively poor crystal quality
;
# end Validation Reply Form
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2223656'
loop_
_audit_author_name
_audit_author_address
'Chen Zhao'
;CIAC
China
;
_audit_update_record             
;
2023-07-07 deposited with the CCDC.	2023-07-10 downloaded from the CCDC.
;
_audit_creation_date             2023-06-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C120 H94 Dy2 N12 O4, 2(C24 H20 B), 5.5[CH3CN], 1[CH3OH]'
_chemical_formula_sum            'C180 H154.50 B2 Dy2 N17.50 O5'
_chemical_formula_weight         2989.32
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   29.7543(12)
_cell_length_b                   17.3502(7)
_cell_length_c                   62.722(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.1690(10)
_cell_angle_gamma                90
_cell_volume                     31528(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    180.00
_cell_measurement_theta_max      22.625
_cell_measurement_theta_min      2.277
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.002
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1223 before and 0.0925 after correction.
The Ratio of minimum to maximum transmission is 0.8065.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             12312
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1338
_diffrn_reflns_av_unetI/netI     0.2373
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       74
_diffrn_reflns_limit_l_min       -74
_diffrn_reflns_number            131144
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.066
_diffrn_reflns_theta_max         25.066
_diffrn_reflns_theta_min         1.902
_diffrn_ambient_temperature      180.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.894
_reflns_Friedel_fraction_full    0.955
_reflns_Friedel_fraction_max     0.955
_reflns_number_gt                24982
_reflns_number_total             54639
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         5.411
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.174
_refine_ls_abs_structure_details 
;
 Flack x determined using 7272 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.148(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2988
_refine_ls_number_reflns         54639
_refine_ls_number_restraints     3574
_refine_ls_R_factor_all          0.2285
_refine_ls_R_factor_gt           0.1029
_refine_ls_restrained_S_all      0.974
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1856P)²+1.5920P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2485
_refine_ls_wR_factor_ref         0.3448
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C61-C102
 1.47 with sigma of 0.02
 C104-C109
 1.47 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
Uanis(C310) \\sim Ueq, Uanis(C311) \\sim Ueq, Uanis(C206) \\sim Ueq,
Uanis(C207) \\sim Ueq, Uanis(C229) \\sim Ueq, Uanis(C312) \\sim Ueq,
Uanis(C321) \\sim Ueq, Uanis(C227) \\sim Ueq, Uanis(C334) \\sim Ueq,
Uanis(C168) \\sim Ueq, Uanis(C171) \\sim Ueq, Uanis(C28) \\sim Ueq: with sigma
of 0.001 and sigma for terminal atoms of 0.002
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Others
 Fixed Y: Dy3(0.4272)
5.a Ternary CH refined with riding coordinates:
 C209(H209), C67(H67), C167(H167), C26(H26), C153(H153), C40(H40), C74(H74),
 C202(H202), C47(H47), C174(H174), C19(H19), C188(H188), C146(H146), C95(H95),
 C181(H181), C88(H88)
5.b Aromatic/amide H refined with riding coordinates:
 C143(H143), C81(H81), C35(H35), C54(H54), C80(H80), C79(H79), C78(H78),
 C77(H77), C76(H76), C197(H197), C201(H201), C199(H199), C336(H336), C164(H164),
  C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C66(H66), C102(H102),
 C291(H291), C290(H290), C294(H294), C293(H293), C292(H292), C39(H39),
 C220(H220), C132(H132), C163(H163), C36(H36), C85(H85), C159(H159), C333(H333),
  C322(H322), C323(H323), C324(H324), C320(H320), C321(H321), C101(H101),
 C100(H100), C99(H99), C98(H98), C97(H97), C222(H222), C18(H18), C142(H142),
 C128(H128), C218(H218), C83(H83), C284(H284), C334(H334), C306(H306),
 C158(H158), C286(H286), C152(H152), C58(H58), C148(H148), C145(H145),
 C287(H287), C122(H122), C37(H37), C84(H84), C335(H335), C205(H205), C204(H204),
  C208(H208), C207(H207), C206(H206), C332(H332), C195(H195), C274(H274),
 C275(H275), C276(H276), C272(H272), C273(H273), C87(H87), C190(H190),
 C105(H105), C155(H155), C7(H7), C316(H316), C318(H318), C315(H315), C317(H317),
  C121(H121), C33(H33), C139(H139), C308(H308), C309(H309), C310(H310),
 C311(H311), C312(H312), C63(H63), C285(H285), C198(H198), C160(H160), C15(H15),
  C56(H56), C17(H17), C296(H296), C300(H300), C299(H299), C298(H298),
 C297(H297), C60(H60), C180(H180), C57(H57), C288(H288), C166(H166), C169(H169),
  C170(H170), C171(H171), C172(H172), C173(H173), C1(H1), C6(H6), C2(H2),
 C106(H106), C126(H126), C62(H62), C213(H213), C212(H212), C211(H211),
 C215(H215), C214(H214), C228(H228), C223(H223), C224(H224), C107(H107),
 C282(H282), C281(H281), C280(H280), C279(H279), C278(H278), C16(H16),
 C305(H305), C131(H131), C239(H239), C240(H240), C236(H236), C237(H237),
 C238(H238), C194(H194), C178(H178), C219(H219), C24(H24), C25(H25), C21(H21),
 C22(H22), C23(H23), C216(H216), C270(H270), C269(H269), C268(H268), C267(H267),
  C266(H266), C151(H151), C64(H64), C149(H149), C162(H162), C71(H71), C72(H72),
 C73(H73), C69(H69), C70(H70), C157(H157), C135(H135), C136(H136), C137(H137),
 C138(H138), C134(H134), C302(H302), C150(H150), C257(H257), C258(H258),
 C254(H254), C255(H255), C256(H256), C12(H12), C313(H313), C9(H9), C10(H10),
 C11(H11), C116(H116), C120(H120), C119(H119), C118(H118), C117(H117),
 C304(H304), C156(H156), C92(H92), C91(H91), C90(H90), C94(H94), C93(H93),
 C246(H246), C245(H245), C244(H244), C243(H243), C242(H242), C234(H234),
 C233(H233), C232(H232), C231(H231), C230(H230), C249(H249), C248(H248),
 C252(H252), C251(H251), C250(H250), C193(H193), C330(H330), C326(H326),
 C327(H327), C328(H328), C329(H329), C191(H191), C192(H192), C261(H261),
 C260(H260), C264(H264), C263(H263), C262(H262), C52(H52), C51(H51), C50(H50),
 C49(H49), C53(H53), C177(H177), C186(H186), C187(H187), C183(H183), C184(H184),
  C185(H185), C29(H29), C30(H30), C31(H31), C32(H32), C28(H28), C14(H14),
 C112(H112), C113(H113), C114(H114), C110(H110), C111(H111), C129(H129),
 C130(H130), C141(H141), C176(H176), C303(H303), C179(H179)
5.c Fitted hexagon refined as free rotating group:
 C75(C80,C79,C78,C77,C76), C41(C42,C43,C44,C45,C46), C291(C290,C289,C294,C293,
 C292), C322(C323,C324,C319,C320,C321), C101(C100,C99,C98,C97,C96), C205(C204,
 C203,C208,C207,C206), C274(C275,C276,C271,C272,C273), C7(C316,C318,C314,C315,
 C317), C307(C308,C309,C310,C311,C312), C296(C295,C300,C299,C298,C297),
 C169(C170,C171,C172,C173,C168), C1(C6,C5,C4,C3,C2), C213(C212,C211,C210,C215,
 C214), C225(C226,C227,C228,C223,C224), C277(C282,C281,C280,C279,C278),
 C239(C240,C235,C236,C237,C238), C24(C25,C20,C21,C22,C23), C265(C270,C269,C268,
 C267,C266), C71(C72,C73,C68,C69,C70), C135(C136,C137,C138,C133,C134),
 C257(C258,C253,C254,C255,C256), C12(C313,C8,C9,C10,C11), C116(C115,C120,C119,
 C118,C117), C92(C91,C90,C89,C94,C93), C246(C245,C244,C243,C242,C241),
 C229(C234,C233,C232,C231,C230), C249(C248,C247,C252,C251,C250), C330(C325,C326,
 C327,C328,C329), C261(C260,C259,C264,C263,C262), C52(C51,C50,C49,C48,C53),
 C186(C187,C182,C183,C184,C185), C29(C30,C31,C32,C27,C28), C112(C113,C114,C109,
 C110,C111)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Dy3 Dy 0.24651(4) 0.427200 0.65076(2) 0.0405(3) Uani 1 1 d . . . . .
Dy4 Dy 0.35911(4) 0.42932(9) 0.61994(2) 0.0413(3) Uani 1 1 d . . . . .
Dy2 Dy 0.53749(5) 1.01119(10) 0.84933(2) 0.0453(4) Uani 1 1 d . . . . .
Dy1 Dy 0.61493(5) 0.82210(9) 0.88083(2) 0.0478(4) Uani 1 1 d . . . . .
O8 O 0.4161(6) 0.4203(10) 0.6029(2) 0.045(3) Uani 1 1 d . . . . .
N7 N 0.4935(7) 0.9058(12) 0.8219(3) 0.043(3) Uani 1 1 d . . . . .
N4 N 0.6623(8) 0.9070(13) 0.9126(3) 0.049(4) Uani 1 1 d . . . . .
O5 O 0.1900(6) 0.4219(11) 0.6677(3) 0.050(3) Uani 1 1 d . . . . .
O1 O 0.6582(6) 0.7244(10) 0.8972(3) 0.048(3) Uani 1 1 d . . . . .
N21 N 0.3489(8) 0.5799(12) 0.6183(3) 0.042(3) Uani 1 1 d . . . . .
O4 O 0.4996(6) 1.1064(10) 0.8325(3) 0.047(3) Uani 1 1 d . . . . .
N10 N 0.5877(8) 1.0963(12) 0.8798(3) 0.040(3) Uani 1 1 d . . . . .
N14 N 0.2968(7) 0.5244(13) 0.6784(3) 0.045(3) Uani 1 1 d . . . . .
N12 N 0.5540(8) 1.0055(13) 0.8101(3) 0.046(3) Uani 1 1 d . . . . .
O6 O 0.3197(6) 0.4165(11) 0.6456(3) 0.045(2) Uani 1 1 d . . . . .
O2 O 0.5702(6) 0.9247(11) 0.8762(3) 0.048(2) Uani 1 1 d . . . . .
O3 O 0.5818(6) 0.9050(10) 0.8554(3) 0.048(2) Uani 1 1 d . . . . .
N15 N 0.2376(8) 0.5816(13) 0.6452(3) 0.043(3) Uani 1 1 d . . . . .
N20 N 0.4108(7) 0.5202(14) 0.6501(3) 0.043(3) Uani 1 1 d . . . . .
N17 N 0.2082(7) 0.3335(11) 0.6197(3) 0.037(3) Uani 1 1 d . . . . .
N11 N 0.6140(8) 1.0773(12) 0.8424(3) 0.044(3) Uani 1 1 d . . . . .
N22 N 0.3108(7) 0.4959(12) 0.5831(3) 0.042(3) Uani 1 1 d . . . . .
N8 N 0.4600(8) 0.9475(13) 0.8566(3) 0.047(3) Uani 1 1 d . . . . .
O7 O 0.2874(6) 0.4383(11) 0.6248(3) 0.045(2) Uani 1 1 d . . . . .
N1 N 0.5717(9) 0.7172(13) 0.8513(4) 0.052(3) Uani 1 1 d . . . . .
N24 N 0.3601(8) 0.2815(12) 0.6263(3) 0.043(3) Uani 1 1 d . . . . .
N3 N 0.5837(8) 0.8346(12) 0.9180(3) 0.043(3) Uani 1 1 d . . . . .
N13 N 0.2880(8) 0.3779(12) 0.6891(3) 0.046(3) Uani 1 1 d . . . . .
N23 N 0.3164(8) 0.3393(13) 0.5881(3) 0.049(4) Uani 1 1 d . . . . .
N2 N 0.5341(8) 0.7613(12) 0.8847(4) 0.046(3) Uani 1 1 d . . . . .
N16 N 0.1802(7) 0.4819(11) 0.6186(3) 0.042(3) Uani 1 1 d . . . . .
N9 N 0.5015(8) 1.0619(12) 0.8808(4) 0.047(3) Uani 1 1 d . . . . .
C86 C 0.5769(9) 1.1114(12) 0.8987(4) 0.033(4) Uani 1 1 d . . . . .
N6 N 0.6526(8) 0.7860(13) 0.8478(4) 0.047(3) Uani 1 1 d . . . . .
C143 C 0.3310(9) 0.6385(16) 0.6841(4) 0.042(5) Uani 1 1 d . . . . .
H143 H 0.332362 0.689831 0.678938 0.051 Uiso 1 1 calc R U . . .
N18 N 0.2559(8) 0.2800(12) 0.6579(3) 0.046(3) Uani 1 1 d . . . . .
C81 C 0.6452(9) 1.1084(15) 0.8591(4) 0.042(5) Uani 1 1 d . . . . .
H81 H 0.674386 1.125784 0.857243 0.051 Uiso 1 1 calc R U . . .
N5 N 0.6877(8) 0.9029(12) 0.8735(3) 0.045(3) Uani 1 1 d . . . . .
C209 C 0.2848(11) 0.3639(16) 0.5653(4) 0.051(4) Uani 1 1 d . . . . .
H209 H 0.251666 0.359407 0.566022 0.061 Uiso 1 1 calc R U . . .
C165 C 0.2208(9) 0.2568(15) 0.6206(4) 0.041(6) Uani 1 1 d . . . . .
C147 C 0.1826(9) 0.6953(15) 0.6303(4) 0.041(4) Uani 1 1 d . . . . .
C67 C 0.5834(9) 1.0614(16) 0.8036(4) 0.045(4) Uani 1 1 d . . . . .
H67 H 0.566424 1.111067 0.803796 0.054 Uiso 1 1 calc R U . . .
C35 C 0.7303(11) 0.9469(16) 0.8500(4) 0.053(7) Uani 1 1 d . . . . .
H35 H 0.738612 0.941898 0.836327 0.064 Uiso 1 1 calc R U . . .
C65 C 0.5083(9) 0.8871(15) 0.8031(4) 0.041(5) Uani 1 1 d . . . . .
C54 C 0.5448(9) 0.8154(16) 0.9187(4) 0.047(5) Uani 1 1 d . . . . .
H54 H 0.533410 0.822477 0.931545 0.056 Uiso 1 1 calc R U . . .
C75 C 0.6548(6) 1.1436(9) 0.8163(3) 0.046(4) Uani 1 1 d G . . . .
C80 C 0.7008(6) 1.1352(8) 0.8154(3) 0.050(6) Uani 1 1 d G . . . .
H80 H 0.715118 1.086026 0.817694 0.060 Uiso 1 1 calc R U . . .
C79 C 0.7257(5) 1.1987(10) 0.8111(3) 0.058(6) Uani 1 1 d G . . . .
H79 H 0.757131 1.192984 0.810409 0.069 Uiso 1 1 calc R U . . .
C78 C 0.7047(6) 1.2706(8) 0.8077(3) 0.050(6) Uani 1 1 d G . . . .
H78 H 0.721771 1.314054 0.804726 0.060 Uiso 1 1 calc R U . . .
C77 C 0.6588(6) 1.2790(8) 0.8086(3) 0.066(8) Uani 1 1 d G . . . .
H77 H 0.644397 1.328165 0.806328 0.079 Uiso 1 1 calc R U . . .
C76 C 0.6338(5) 1.2155(11) 0.8130(3) 0.076(10) Uani 1 1 d G . . . .
H76 H 0.602384 1.221208 0.813614 0.091 Uiso 1 1 calc R U . . .
C123 C 0.1519(10) 0.5226(17) 0.6823(4) 0.049(5) Uani 1 1 d . . . . .
C197 C 0.3591(9) 0.7073(16) 0.6339(4) 0.045(6) Uani 1 1 d . . . . .
H197 H 0.375757 0.739805 0.645163 0.055 Uiso 1 1 calc R U . . .
C201 C 0.2975(10) 0.5596(16) 0.5826(4) 0.042(6) Uani 1 1 d . . . . .
H201 H 0.274675 0.578053 0.570577 0.051 Uiso 1 1 calc R U . . .
C199 C 0.3029(10) 0.6907(16) 0.5999(4) 0.050(6) Uani 1 1 d . . . . .
H199 H 0.279985 0.711399 0.588237 0.059 Uiso 1 1 calc R U . . .
C161 C 0.1784(9) 0.3595(14) 0.6003(4) 0.034(5) Uani 1 1 d . . . . .
C167 C 0.2787(10) 0.2452(14) 0.6794(4) 0.042(3) Uani 1 1 d . . . . .
H167 H 0.312351 0.239911 0.679772 0.050 Uiso 1 1 calc R U . . .
C26 C 0.6432(11) 0.7128(17) 0.8361(5) 0.059(4) Uani 1 1 d . . . . .
H26 H 0.660197 0.673538 0.846567 0.070 Uiso 1 1 calc R U . . .
C153 C 0.1590(9) 0.5549(14) 0.6196(4) 0.038(3) Uani 1 1 d . . . . .
H153 H 0.144163 0.554348 0.632366 0.045 Uiso 1 1 calc R U . . .
C82 C 0.6328(9) 1.1140(15) 0.8796(4) 0.042(5) Uani 1 1 d . . . . .
C221 C 0.3808(11) 0.2474(17) 0.6464(5) 0.058(7) Uani 1 1 d . . . . .
C189 C 0.4939(9) 0.5401(15) 0.6724(4) 0.046(4) Uani 1 1 d . . . . .
C336 C 0.2631(12) -0.0209(17) 0.6064(5) 0.066(7) Uani 1 1 d . . . . .
H336 H 0.293395 -0.036744 0.605970 0.079 Uiso 1 1 calc R U . . .
C40 C 0.6488(10) 0.9281(19) 0.9350(4) 0.055(4) Uani 1 1 d . . . . .
H40 H 0.631968 0.978305 0.933784 0.066 Uiso 1 1 calc R U . . .
C164 C 0.2094(10) 0.2115(15) 0.6012(4) 0.044(6) Uani 1 1 d . . . . .
H164 H 0.222698 0.161753 0.601256 0.053 Uiso 1 1 calc R U . . .
C41 C 0.6899(6) 0.9283(11) 0.9541(3) 0.051(5) Uani 1 1 d G . . . .
C42 C 0.7221(7) 0.8690(9) 0.9570(3) 0.067(8) Uani 1 1 d G . . . .
H42 H 0.717051 0.825546 0.947530 0.080 Uiso 1 1 calc R U . . .
C43 C 0.7616(6) 0.8732(10) 0.9738(3) 0.063(6) Uani 1 1 d G . . . .
H43 H 0.783626 0.832643 0.975757 0.075 Uiso 1 1 calc R U . . .
C44 C 0.7690(6) 0.9368(12) 0.9876(3) 0.071(7) Uani 1 1 d G . . . .
H44 H 0.795984 0.939649 0.999072 0.085 Uiso 1 1 calc R U . . .
C45 C 0.7368(8) 0.9961(10) 0.9847(3) 0.094(11) Uani 1 1 d G . . . .
H45 H 0.741769 1.039558 0.994160 0.113 Uiso 1 1 calc R U . . .
C46 C 0.6972(7) 0.9919(10) 0.9679(3) 0.071(8) Uani 1 1 d G . . . .
H46 H 0.675194 1.032463 0.965933 0.085 Uiso 1 1 calc R U . . .
C61 C 0.4622(10) 0.8603(16) 0.8274(4) 0.048(6) Uani 1 1 d D . . . .
C200 C 0.3166(9) 0.6092(15) 0.6009(4) 0.042(5) Uani 1 1 d . . . . .
C59 C 0.5109(11) 0.7118(17) 0.8679(5) 0.056(6) Uani 1 1 d . . . . .
C66 C 0.5393(8) 0.9488(14) 0.7973(4) 0.038(5) Uani 1 1 d . . . . .
H66 H 0.548261 0.945408 0.783697 0.046 Uiso 1 1 calc R U . . .
C74 C 0.6271(9) 1.0732(16) 0.8199(4) 0.045(4) Uani 1 1 d . . . . .
H74 H 0.646843 1.026624 0.819901 0.054 Uiso 1 1 calc R U . . .
C102 C 0.4440(9) 0.8803(16) 0.8465(4) 0.044(5) Uani 1 1 d D . . . .
H102 H 0.422488 0.848576 0.851530 0.052 Uiso 1 1 calc R U . . .
C144 C 0.2998(10) 0.5972(17) 0.6721(5) 0.055(7) Uani 1 1 d . . . . .
C291 C 0.4863(7) 0.7180(8) 0.7286(3) 0.073(9) Uani 1 1 d G . . . .
H291 H 0.481855 0.664015 0.729683 0.087 Uiso 1 1 calc R U . . .
C290 C 0.4555(6) 0.7610(11) 0.7131(3) 0.055(6) Uani 1 1 d G . . . .
H290 H 0.430077 0.736374 0.703613 0.066 Uiso 1 1 calc R U . . .
C289 C 0.4619(6) 0.8399(10) 0.7115(3) 0.058(5) Uani 1 1 d G . . . .
C294 C 0.4992(6) 0.8759(8) 0.7253(3) 0.053(6) Uani 1 1 d G . . . .
H294 H 0.503555 0.929813 0.724219 0.063 Uiso 1 1 calc R U . . .
C293 C 0.5299(5) 0.8329(10) 0.7408(3) 0.052(6) Uani 1 1 d G . . . .
H293 H 0.555333 0.857455 0.750289 0.062 Uiso 1 1 calc R U . . .
C292 C 0.5235(6) 0.7539(10) 0.7424(3) 0.065(8) Uani 1 1 d G . . . .
H292 H 0.544484 0.724557 0.753022 0.078 Uiso 1 1 calc R U . . .
C39 C 0.6978(12) 0.945(2) 0.9099(5) 0.079(10) Uani 1 1 d . . . . .
H39 H 0.717564 0.969877 0.921854 0.095 Uiso 1 1 calc R U . . .
C220 C 0.3761(9) 0.1706(15) 0.6514(4) 0.041(5) Uani 1 1 d . . . . .
H220 H 0.390568 0.150746 0.665366 0.049 Uiso 1 1 calc R U . . .
C132 C 0.0751(10) 0.3635(19) 0.6191(5) 0.059(6) Uani 1 1 d . . . . .
H132 H 0.056882 0.407720 0.614018 0.071 Uiso 1 1 calc R U . . .
C163 C 0.1803(11) 0.2368(16) 0.5828(5) 0.059(8) Uani 1 1 d . . . . .
H163 H 0.166660 0.202528 0.571307 0.071 Uiso 1 1 calc R U . . .
C125 C 0.1096(10) 0.4402(18) 0.6540(5) 0.057(6) Uani 1 1 d . . . . .
C202 C 0.2969(11) 0.4535(16) 0.5629(4) 0.054(4) Uani 1 1 d . . . . .
H202 H 0.324788 0.453114 0.556503 0.064 Uiso 1 1 calc R U . . .
N19 N 0.4212(7) 0.3626(13) 0.6528(3) 0.041(3) Uani 1 1 d . . . . .
C331 C 0.2265(11) -0.0073(16) 0.5874(5) 0.056(5) Uani 1 1 d . . . . .
C36 C 0.7508(11) 1.0070(19) 0.8643(4) 0.065(8) Uani 1 1 d . . . . .
H36 H 0.768100 1.048068 0.860093 0.078 Uiso 1 1 calc R U . . .
C13 C 0.7576(10) 0.7499(18) 0.9018(5) 0.056(5) Uani 1 1 d . . . . .
C85 C 0.6000(11) 1.131(2) 0.9175(5) 0.074(10) Uani 1 1 d . . . . .
H85 H 0.588271 1.129539 0.930386 0.089 Uiso 1 1 calc R U . . .
C159 C 0.1305(10) 0.5935(15) 0.5802(4) 0.046(5) Uani 1 1 d . . . . .
H159 H 0.159890 0.580866 0.577597 0.055 Uiso 1 1 calc R U . . .
C283 C 0.3936(9) 0.5195(17) 0.7899(4) 0.050(4) Uani 1 1 d . . . . .
C333 C 0.1722(12) 0.0297(18) 0.6087(5) 0.066(7) Uani 1 1 d . . . . .
H333 H 0.141729 0.046852 0.608415 0.079 Uiso 1 1 calc R U . . .
C322 C 0.2133(7) -0.2886(8) 0.5516(3) 0.059(7) Uani 1 1 d G . . . .
H322 H 0.206287 -0.341424 0.548478 0.071 Uiso 1 1 calc R U . . .
C323 C 0.2492(6) -0.2539(10) 0.5444(3) 0.058(6) Uani 1 1 d G . . . .
H323 H 0.266721 -0.282858 0.536298 0.070 Uiso 1 1 calc R U . . .
C324 C 0.2595(6) -0.1766(11) 0.5490(3) 0.068(7) Uani 1 1 d G . . . .
H324 H 0.284055 -0.152863 0.544058 0.082 Uiso 1 1 calc R U . . .
C319 C 0.2339(7) -0.1342(8) 0.5608(3) 0.054(5) Uani 1 1 d G . . . .
C320 C 0.1980(7) -0.1690(10) 0.5681(3) 0.065(7) Uani 1 1 d G . . . .
H320 H 0.180521 -0.139998 0.576179 0.077 Uiso 1 1 calc R U . . .
C321 C 0.1877(6) -0.2462(11) 0.5635(3) 0.059(5) Uani 1 1 d G U . . .
H321 H 0.163186 -0.269993 0.568419 0.070 Uiso 1 1 calc R U . . .
C47 C 0.6178(10) 0.8619(17) 0.9384(4) 0.051(4) Uani 1 1 d . . . . .
H47 H 0.638178 0.817208 0.944157 0.062 Uiso 1 1 calc R U . . .
C127 C 0.1041(10) 0.3633(19) 0.6412(5) 0.058(6) Uani 1 1 d . . . . .
C101 C 0.3599(6) 0.9999(11) 0.8533(3) 0.076(10) Uani 1 1 d G . . . .
H101 H 0.373334 1.037190 0.845555 0.092 Uiso 1 1 calc R U . . .
C100 C 0.3124(6) 0.9892(12) 0.8483(3) 0.068(8) Uani 1 1 d G . . . .
H100 H 0.293294 1.019146 0.837160 0.082 Uiso 1 1 calc R U . . .
C99 C 0.2928(4) 0.9347(13) 0.8597(3) 0.087(10) Uani 1 1 d G . . . .
H99 H 0.260304 0.927343 0.856283 0.104 Uiso 1 1 calc R U . . .
C98 C 0.3207(6) 0.8909(10) 0.8760(3) 0.056(6) Uani 1 1 d G . . . .
H98 H 0.307354 0.853582 0.883800 0.067 Uiso 1 1 calc R U . . .
C97 C 0.3683(6) 0.9016(10) 0.8810(2) 0.048(5) Uani 1 1 d G . . . .
H97 H 0.387394 0.871624 0.892195 0.057 Uiso 1 1 calc R U . . .
C96 C 0.3879(5) 0.9561(11) 0.8697(3) 0.047(4) Uani 1 1 d G . . . .
C222 C 0.4168(11) 0.2945(17) 0.6594(5) 0.060(8) Uani 1 1 d . . . . .
H222 H 0.436476 0.275247 0.672411 0.072 Uiso 1 1 calc R U . . .
C196 C 0.3677(10) 0.6294(16) 0.6338(4) 0.051(7) Uani 1 1 d . . . . .
C18 C 0.7493(11) 0.7108(18) 0.8815(5) 0.059(6) Uani 1 1 d . . . . .
H18 H 0.727268 0.670324 0.878370 0.070 Uiso 1 1 calc R U . . .
C154 C 0.1257(10) 0.5858(14) 0.6008(4) 0.043(4) Uani 1 1 d . . . . .
C142 C 0.3644(11) 0.6217(17) 0.7037(5) 0.060(8) Uani 1 1 d . . . . .
H142 H 0.385721 0.657629 0.711774 0.071 Uiso 1 1 calc R U . . .
C128 C 0.1233(11) 0.3025(18) 0.6469(5) 0.063(7) Uani 1 1 d . . . . .
H128 H 0.141762 0.302083 0.661444 0.075 Uiso 1 1 calc R U . . .
C218 C 0.3281(11) 0.1501(16) 0.6151(4) 0.053(7) Uani 1 1 d . . . . .
H218 H 0.309902 0.116454 0.604667 0.064 Uiso 1 1 calc R U . . .
C83 C 0.6652(11) 1.1375(18) 0.8972(4) 0.057(7) Uani 1 1 d . . . . .
H83 H 0.696988 1.140874 0.897031 0.069 Uiso 1 1 calc R U . . .
C284 C 0.4340(10) 0.5721(19) 0.7874(5) 0.059(7) Uani 1 1 d . . . . .
H284 H 0.441906 0.615569 0.796693 0.071 Uiso 1 1 calc R U . . .
C174 C 0.2743(11) 0.2988(15) 0.6965(4) 0.048(4) Uani 1 1 d . . . . .
H174 H 0.240899 0.301302 0.696866 0.057 Uiso 1 1 calc R U . . .
C334 C 0.2060(12) 0.0222(19) 0.6283(5) 0.073(6) Uani 1 1 d . U . . .
H334 H 0.200193 0.036951 0.641981 0.087 Uiso 1 1 calc R U . . .
C306 C 0.4670(10) 0.8092(16) 0.6638(4) 0.051(6) Uani 1 1 d . . . . .
H306 H 0.481843 0.775235 0.675096 0.061 Uiso 1 1 calc R U . . .
C158 C 0.0966(10) 0.6186(13) 0.5620(4) 0.044(5) Uani 1 1 d . . . . .
H158 H 0.102324 0.619659 0.547669 0.053 Uiso 1 1 calc R U . . .
C286 C 0.4483(11) 0.4899(18) 0.7573(5) 0.064(7) Uani 1 1 d . . . . .
H286 H 0.467219 0.475090 0.747691 0.077 Uiso 1 1 calc R U . . .
C152 C 0.1957(10) 0.7545(15) 0.6205(5) 0.050(6) Uani 1 1 d . . . . .
H152 H 0.215230 0.747517 0.610618 0.060 Uiso 1 1 calc R U . . .
C19 C 0.5929(10) 0.6887(16) 0.8322(4) 0.052(4) Uani 1 1 d . . . . .
H19 H 0.575836 0.714529 0.818506 0.062 Uiso 1 1 calc R U . . .
C58 C 0.4660(11) 0.6937(18) 0.8660(5) 0.060(7) Uani 1 1 d . . . . .
H58 H 0.449253 0.664758 0.853924 0.072 Uiso 1 1 calc R U . . .
C148 C 0.1601(13) 0.7016(18) 0.6479(6) 0.078(10) Uani 1 1 d . . . . .
H148 H 0.155125 0.658115 0.656305 0.094 Uiso 1 1 calc R U . . .
C145 C 0.2661(10) 0.6227(17) 0.6548(5) 0.051(6) Uani 1 1 d . . . . .
H145 H 0.266023 0.675200 0.650519 0.061 Uiso 1 1 calc R U . . .
C287 C 0.4076(12) 0.449(2) 0.7589(5) 0.072(8) Uani 1 1 d . . . . .
H287 H 0.395489 0.411844 0.748106 0.086 Uiso 1 1 calc R U . . .
C217 C 0.3342(10) 0.2308(16) 0.6102(4) 0.046(6) Uani 1 1 d . . . . .
C122 C 0.1133(10) 0.5564(17) 0.6825(5) 0.053(6) Uani 1 1 d . . . . .
H122 H 0.113591 0.590755 0.694351 0.064 Uiso 1 1 calc R U . . .
C37 C 0.7426(12) 0.999(2) 0.8850(5) 0.072(9) Uani 1 1 d . . . . .
H37 H 0.760083 1.026490 0.897116 0.087 Uiso 1 1 calc R U . . .
C188 C 0.4494(9) 0.4896(15) 0.6688(5) 0.049(4) Uani 1 1 d . . . . .
H188 H 0.437887 0.491026 0.682594 0.059 Uiso 1 1 calc R U . . .
C104 C 0.4207(10) 1.1260(14) 0.8164(4) 0.046(5) Uani 1 1 d D . . . .
C108 C 0.4605(11) 1.2169(17) 0.8465(5) 0.055(5) Uani 1 1 d . . . . .
C84 C 0.6474(11) 1.158(2) 0.9173(5) 0.078(11) Uani 1 1 d . . . . .
H84 H 0.665564 1.186507 0.929065 0.094 Uiso 1 1 calc R U . . .
C335 C 0.2475(12) -0.0073(19) 0.6266(5) 0.071(8) Uani 1 1 d . . . . .
H335 H 0.268473 -0.020343 0.639877 0.085 Uiso 1 1 calc R U . . .
C55 C 0.5158(10) 0.7800(16) 0.8985(5) 0.048(5) Uani 1 1 d . . . . .
C205 C 0.1781(5) 0.5129(10) 0.5291(3) 0.051(5) Uani 1 1 d G . . . .
H205 H 0.147235 0.517608 0.530760 0.062 Uiso 1 1 calc R U . . .
C204 C 0.2127(6) 0.4885(10) 0.5467(2) 0.052(5) Uani 1 1 d G . . . .
H204 H 0.205467 0.476517 0.560273 0.062 Uiso 1 1 calc R U . . .
C203 C 0.2578(6) 0.4817(10) 0.5443(2) 0.050(4) Uani 1 1 d G . . . .
C208 C 0.2683(5) 0.4992(10) 0.5243(3) 0.051(5) Uani 1 1 d G . . . .
H208 H 0.299196 0.494550 0.522693 0.062 Uiso 1 1 calc R U . . .
C207 C 0.2338(6) 0.5236(11) 0.5068(2) 0.057(4) Uani 1 1 d G U . . .
H207 H 0.240966 0.535641 0.493180 0.068 Uiso 1 1 calc R U . . .
C206 C 0.1886(6) 0.5305(11) 0.5092(2) 0.061(4) Uani 1 1 d G U . . .
H206 H 0.164985 0.547171 0.497213 0.073 Uiso 1 1 calc R U . . .
C332 C 0.1866(12) 0.0100(18) 0.5895(5) 0.065(6) Uani 1 1 d . . . . .
H332 H 0.163090 0.009788 0.576350 0.078 Uiso 1 1 calc R U . . .
C195 C 0.4033(10) 0.5867(17) 0.6501(4) 0.048(6) Uani 1 1 d . . . . .
H195 H 0.421621 0.616069 0.661653 0.057 Uiso 1 1 calc R U . . .
C274 C 0.2403(6) 0.3982(11) 0.7923(3) 0.072(8) Uani 1 1 d G . . . .
H274 H 0.213840 0.366256 0.787913 0.086 Uiso 1 1 calc R U . . .
C275 C 0.2812(7) 0.3674(8) 0.8046(3) 0.066(8) Uani 1 1 d G . . . .
H275 H 0.282770 0.314430 0.808499 0.080 Uiso 1 1 calc R U . . .
C276 C 0.3199(6) 0.4141(10) 0.8110(4) 0.099(13) Uani 1 1 d G . . . .
H276 H 0.347842 0.393086 0.819402 0.118 Uiso 1 1 calc R U . . .
C271 C 0.3176(5) 0.4916(10) 0.8053(3) 0.060(5) Uani 1 1 d G . . . .
C272 C 0.2766(6) 0.5224(8) 0.7931(3) 0.055(6) Uani 1 1 d G . . . .
H272 H 0.275056 0.575397 0.789133 0.066 Uiso 1 1 calc R U . . .
C273 C 0.2380(5) 0.4757(11) 0.7866(3) 0.070(8) Uani 1 1 d G . . . .
H273 H 0.209983 0.496742 0.778230 0.084 Uiso 1 1 calc R U . . .
C103 C 0.4627(10) 1.1503(15) 0.8315(4) 0.042(4) Uani 1 1 d . . . . .
C87 C 0.5284(11) 1.099(2) 0.8996(5) 0.077(10) Uani 1 1 d . . . . .
H87 H 0.516232 1.114476 0.911725 0.092 Uiso 1 1 calc R U . . .
C190 C 0.5109(10) 0.5751(18) 0.6929(5) 0.061(7) Uani 1 1 d . . . . .
H190 H 0.494737 0.571456 0.704280 0.073 Uiso 1 1 calc R U . . .
C105 C 0.3819(11) 1.1586(18) 0.8184(5) 0.060(7) Uani 1 1 d . . . . .
H105 H 0.354009 1.136379 0.810274 0.072 Uiso 1 1 calc R U . . .
C155 C 0.0820(11) 0.602(2) 0.6022(5) 0.066(8) Uani 1 1 d . . . . .
H155 H 0.077117 0.597056 0.616535 0.079 Uiso 1 1 calc R U . . .
C7 C 0.3876(6) 0.0210(12) 0.5624(3) 0.066(6) Uani 1 1 d G . . . .
H7 H 0.418556 0.033271 0.562163 0.079 Uiso 1 1 calc R U . . .
C316 C 0.3519(8) 0.0701(9) 0.5525(3) 0.065(6) Uani 1 1 d G . . . .
H316 H 0.358604 0.115915 0.545567 0.078 Uiso 1 1 calc R U . . .
C318 C 0.3066(6) 0.0521(11) 0.5529(3) 0.079(8) Uani 1 1 d G . . . .
H318 H 0.282250 0.085635 0.546138 0.095 Uiso 1 1 calc R U . . .
C314 C 0.2968(6) -0.0150(13) 0.5631(3) 0.060(5) Uani 1 1 d G . . . .
C315 C 0.3325(7) -0.0641(10) 0.5729(3) 0.085(9) Uani 1 1 d G . . . .
H315 H 0.325801 -0.109934 0.579900 0.103 Uiso 1 1 calc R U . . .
C317 C 0.3778(6) -0.0461(11) 0.5726(3) 0.079(8) Uani 1 1 d G . . . .
H317 H 0.402154 -0.079655 0.579330 0.094 Uiso 1 1 calc R U . . .
C121 C 0.0705(11) 0.5480(17) 0.6671(5) 0.059(7) Uani 1 1 d . . . . .
H121 H 0.045839 0.583638 0.666015 0.071 Uiso 1 1 calc R U . . .
C33 C 0.6800(10) 0.8330(17) 0.8418(4) 0.053(6) Uani 1 1 d . . . . .
H33 H 0.687771 0.825593 0.828055 0.064 Uiso 1 1 calc R U . . .
C139 C 0.3153(9) 0.4200(15) 0.7021(4) 0.043(5) Uani 1 1 d . . . . .
H139 H 0.330154 0.399248 0.715976 0.052 Uiso 1 1 calc R U . . .
C307 C 0.3696(5) 0.8583(11) 0.6898(3) 0.059(5) Uani 1 1 d G . . . .
C308 C 0.3364(7) 0.8528(11) 0.6703(2) 0.056(6) Uani 1 1 d G . . . .
H308 H 0.344717 0.860772 0.656746 0.067 Uiso 1 1 calc R U . . .
C309 C 0.2909(6) 0.8356(11) 0.6707(2) 0.056(6) Uani 1 1 d G . . . .
H309 H 0.268223 0.831797 0.657376 0.067 Uiso 1 1 calc R U . . .
C310 C 0.2788(5) 0.8239(11) 0.6906(3) 0.065(4) Uani 1 1 d G U . . .
H310 H 0.247699 0.812143 0.690828 0.078 Uiso 1 1 calc R U . . .
C311 C 0.3120(7) 0.8294(11) 0.7101(2) 0.062(4) Uani 1 1 d G U . . .
H311 H 0.303668 0.821463 0.723651 0.074 Uiso 1 1 calc R U . . .
C312 C 0.3574(6) 0.8467(11) 0.7097(2) 0.062(4) Uani 1 1 d G U . . .
H312 H 0.380162 0.850437 0.723021 0.074 Uiso 1 1 calc R U . . .
C175 C 0.3013(11) 0.2818(16) 0.7193(4) 0.053(5) Uani 1 1 d . . . . .
C63 C 0.4608(12) 0.7743(19) 0.7953(5) 0.067(9) Uani 1 1 d . . . . .
H63 H 0.449716 0.729581 0.786968 0.080 Uiso 1 1 calc R U . . .
C285 C 0.4581(12) 0.557(2) 0.7720(5) 0.077(9) Uani 1 1 d . . . . .
H285 H 0.482320 0.590900 0.770633 0.092 Uiso 1 1 calc R U . . .
C198 C 0.3262(10) 0.7355(18) 0.6175(5) 0.055(7) Uani 1 1 d . . . . .
H198 H 0.318440 0.788499 0.617833 0.066 Uiso 1 1 calc R U . . .
C146 C 0.2007(9) 0.6101(14) 0.6251(4) 0.041(4) Uani 1 1 d . . . . .
H146 H 0.214943 0.613780 0.612135 0.049 Uiso 1 1 calc R U . . .
C160 C 0.1636(10) 0.4308(16) 0.6024(4) 0.056(7) Uani 1 1 d . . . . .
H160 H 0.138371 0.447813 0.591229 0.067 Uiso 1 1 calc R U . . .
C15 C 0.8102(12) 0.839(2) 0.8911(6) 0.080(9) Uani 1 1 d . . . . .
H15 H 0.831234 0.880466 0.895069 0.096 Uiso 1 1 calc R U . . .
C56 C 0.4675(9) 0.7596(15) 0.8997(4) 0.044(5) Uani 1 1 d . . . . .
H56 H 0.454663 0.774172 0.911708 0.053 Uiso 1 1 calc R U . . .
C17 C 0.7753(12) 0.734(2) 0.8654(5) 0.074(8) Uani 1 1 d . . . . .
H17 H 0.773482 0.705584 0.852245 0.089 Uiso 1 1 calc R U . . .
C296 C 0.4017(6) 1.0165(11) 0.7076(3) 0.065(7) Uani 1 1 d G . . . .
H296 H 0.377521 0.987597 0.711372 0.078 Uiso 1 1 calc R U . . .
C295 C 0.4313(7) 0.9813(8) 0.6963(3) 0.060(5) Uani 1 1 d G . . . .
C300 C 0.4666(6) 1.0235(11) 0.6907(3) 0.070(8) Uani 1 1 d G . . . .
H300 H 0.486883 0.999447 0.683030 0.084 Uiso 1 1 calc R U . . .
C299 C 0.4724(6) 1.1009(11) 0.6964(3) 0.062(6) Uani 1 1 d G . . . .
H299 H 0.496508 1.129753 0.692604 0.075 Uiso 1 1 calc R U . . .
C298 C 0.4427(7) 1.1361(8) 0.7077(3) 0.067(7) Uani 1 1 d G . . . .
H298 H 0.446639 1.188981 0.711562 0.081 Uiso 1 1 calc R U . . .
C297 C 0.4074(6) 1.0939(11) 0.7132(3) 0.061(7) Uani 1 1 d G . . . .
H297 H 0.387145 1.117905 0.720946 0.073 Uiso 1 1 calc R U . . .
C60 C 0.5334(10) 0.6939(14) 0.8510(4) 0.043(5) Uani 1 1 d . . . . .
H60 H 0.517969 0.662686 0.839122 0.052 Uiso 1 1 calc R U . . .
C180 C 0.3486(10) 0.2593(16) 0.7237(5) 0.056(6) Uani 1 1 d . . . . .
H180 H 0.364777 0.255098 0.712358 0.067 Uiso 1 1 calc R U . . .
C124 C 0.1521(10) 0.4635(17) 0.6682(4) 0.049(5) Uani 1 1 d . . . . .
C34 C 0.6994(10) 0.8960(16) 0.8550(4) 0.048(6) Uani 1 1 d . . . . .
C301 C 0.4359(11) 0.8723(17) 0.6677(4) 0.055(5) Uani 1 1 d . . . . .
C57 C 0.4444(11) 0.7203(19) 0.8832(5) 0.062(7) Uani 1 1 d . . . . .
H57 H 0.412868 0.708786 0.882332 0.075 Uiso 1 1 calc R U . . .
C288 C 0.3856(10) 0.4614(16) 0.7751(4) 0.050(6) Uani 1 1 d . . . . .
H288 H 0.362001 0.425790 0.776300 0.060 Uiso 1 1 calc R U . . .
C166 C 0.2471(9) 0.2265(15) 0.6419(4) 0.038(5) Uani 1 1 d . . . . .
H166 H 0.256789 0.174346 0.644069 0.046 Uiso 1 1 calc R U . . .
C169 C 0.2158(5) 0.1541(8) 0.6869(3) 0.050(6) Uani 1 1 d G . . . .
H169 H 0.196230 0.197561 0.686527 0.060 Uiso 1 1 calc R U . . .
C170 C 0.1998(5) 0.0809(10) 0.6903(3) 0.057(7) Uani 1 1 d G . . . .
H170 H 0.169355 0.074388 0.692389 0.069 Uiso 1 1 calc R U . . .
C171 C 0.2284(6) 0.0172(7) 0.6908(3) 0.048(5) Uani 1 1 d G U . . .
H171 H 0.217467 -0.032783 0.693219 0.058 Uiso 1 1 calc R U . . .
C172 C 0.2729(5) 0.0267(8) 0.6879(3) 0.048(5) Uani 1 1 d G . . . .
H172 H 0.292453 -0.016784 0.688189 0.057 Uiso 1 1 calc R U . . .
C173 C 0.2889(4) 0.0999(9) 0.6844(3) 0.045(5) Uani 1 1 d G . . . .
H173 H 0.319329 0.106387 0.682327 0.054 Uiso 1 1 calc R U . . .
C168 C 0.2603(6) 0.1636(7) 0.6839(3) 0.042(3) Uani 1 1 d G U . . .
C1 C 0.7435(6) 0.6544(12) 0.9543(2) 0.068(8) Uani 1 1 d G . . . .
H1 H 0.762650 0.639447 0.967962 0.082 Uiso 1 1 calc R U . . .
C6 C 0.7629(5) 0.6888(11) 0.9385(3) 0.054(6) Uani 1 1 d G . . . .
H6 H 0.795280 0.697276 0.941342 0.065 Uiso 1 1 calc R U . . .
C5 C 0.7350(7) 0.7107(12) 0.9185(3) 0.064(6) Uani 1 1 d G . . . .
C4 C 0.6876(6) 0.6982(12) 0.9143(2) 0.061(7) Uani 1 1 d G . . . .
C3 C 0.6682(5) 0.6638(12) 0.9302(3) 0.061(6) Uani 1 1 d G . . . .
C2 C 0.6962(7) 0.6420(12) 0.9501(3) 0.070(8) Uani 1 1 d G . . . .
H2 H 0.682939 0.618474 0.960945 0.084 Uiso 1 1 calc R U . . .
C106 C 0.3778(11) 1.2223(16) 0.8312(4) 0.053(6) Uani 1 1 d . . . . .
H106 H 0.349269 1.248106 0.830397 0.064 Uiso 1 1 calc R U . . .
C126 C 0.0676(11) 0.4834(17) 0.6537(5) 0.061(7) Uani 1 1 d . . . . .
H126 H 0.038968 0.467938 0.644582 0.073 Uiso 1 1 calc R U . . .
C62 C 0.4500(8) 0.8031(14) 0.8167(4) 0.031(4) Uani 1 1 d . . . . .
H62 H 0.430225 0.770203 0.822510 0.038 Uiso 1 1 calc R U . . .
C140 C 0.3254(9) 0.4976(15) 0.6974(4) 0.039(5) Uani 1 1 d . . . . .
C213 C 0.3023(8) 0.2294(11) 0.5110(3) 0.081(9) Uani 1 1 d G . . . .
H213 H 0.305573 0.200196 0.498600 0.098 Uiso 1 1 calc R U . . .
C212 C 0.2601(6) 0.2316(10) 0.5169(3) 0.064(7) Uani 1 1 d G . . . .
H212 H 0.234514 0.203779 0.508627 0.076 Uiso 1 1 calc R U . . .
C211 C 0.2554(6) 0.2743(11) 0.5350(3) 0.059(6) Uani 1 1 d G . . . .
H211 H 0.226502 0.275782 0.539089 0.071 Uiso 1 1 calc R U . . .
C210 C 0.2928(7) 0.3150(10) 0.5472(2) 0.058(5) Uani 1 1 d G . . . .
C215 C 0.3350(6) 0.3128(11) 0.5412(3) 0.060(7) Uani 1 1 d G . . . .
H215 H 0.360608 0.340623 0.549497 0.073 Uiso 1 1 calc R U . . .
C214 C 0.3398(6) 0.2701(12) 0.5231(3) 0.066(7) Uani 1 1 d G . . . .
H214 H 0.368621 0.268619 0.519035 0.079 Uiso 1 1 calc R U . . .
C225 C 0.4275(7) 0.4673(8) 0.5691(3) 0.060(6) Uani 1 1 d G . . . .
C226 C 0.4292(6) 0.4103(9) 0.5848(2) 0.036(4) Uani 1 1 d G . . . .
C227 C 0.4424(6) 0.3358(8) 0.5808(2) 0.045(3) Uani 1 1 d G U . . .
C228 C 0.4537(6) 0.3183(8) 0.5611(3) 0.048(5) Uani 1 1 d G . . . .
H228 H 0.462715 0.267323 0.558330 0.057 Uiso 1 1 calc R U . . .
C223 C 0.4520(6) 0.3752(11) 0.5453(2) 0.063(7) Uani 1 1 d G . . . .
H223 H 0.459754 0.363234 0.531817 0.075 Uiso 1 1 calc R U . . .
C224 C 0.4388(7) 0.4498(9) 0.5493(2) 0.054(6) Uani 1 1 d G . . . .
H224 H 0.437638 0.488691 0.538542 0.065 Uiso 1 1 calc R U . . .
C107 C 0.4192(11) 1.2454(19) 0.8454(5) 0.063(7) Uani 1 1 d . . . . .
H107 H 0.417033 1.285961 0.855311 0.075 Uiso 1 1 calc R U . . .
C95 C 0.4398(10) 0.9711(15) 0.8736(4) 0.044(4) Uani 1 1 d . . . . .
H95 H 0.454439 0.939129 0.886575 0.052 Uiso 1 1 calc R U . . .
C277 C 0.3546(6) 0.6354(8) 0.8101(3) 0.052(5) Uani 1 1 d G . . . .
C282 C 0.3416(7) 0.6757(10) 0.7905(2) 0.052(5) Uani 1 1 d G . . . .
H282 H 0.341799 0.650702 0.777013 0.062 Uiso 1 1 calc R U . . .
C281 C 0.3283(7) 0.7525(10) 0.7906(3) 0.070(8) Uani 1 1 d G . . . .
H281 H 0.319420 0.779956 0.777164 0.084 Uiso 1 1 calc R U . . .
C280 C 0.3280(7) 0.7890(8) 0.8103(3) 0.059(6) Uani 1 1 d G . . . .
H280 H 0.318950 0.841467 0.810314 0.071 Uiso 1 1 calc R U . . .
C279 C 0.3410(7) 0.7488(10) 0.8299(3) 0.067(7) Uani 1 1 d G . . . .
H279 H 0.340859 0.773724 0.843313 0.081 Uiso 1 1 calc R U . . .
C278 C 0.3543(6) 0.6720(10) 0.8298(2) 0.052(6) Uani 1 1 d G . . . .
H278 H 0.363239 0.644470 0.843162 0.063 Uiso 1 1 calc R U . . .
C16 C 0.8045(11) 0.8030(18) 0.8707(5) 0.068(7) Uani 1 1 d . . . . .
H16 H 0.819592 0.823447 0.860159 0.082 Uiso 1 1 calc R U . . .
C305 C 0.4731(11) 0.8032(16) 0.6425(4) 0.055(6) Uani 1 1 d . . . . .
H305 H 0.489698 0.758805 0.639890 0.066 Uiso 1 1 calc R U . . .
C131 C 0.0734(13) 0.302(2) 0.6054(6) 0.078(9) Uani 1 1 d . . . . .
H131 H 0.061517 0.305607 0.590070 0.093 Uiso 1 1 calc R U . . .
C239 C 0.4356(7) 0.1403(8) 0.6072(3) 0.066(8) Uani 1 1 d G . . . .
H239 H 0.420130 0.092559 0.603515 0.079 Uiso 1 1 calc R U . . .
C240 C 0.4276(7) 0.2010(11) 0.5923(2) 0.059(7) Uani 1 1 d G . . . .
H240 H 0.406645 0.194855 0.578556 0.070 Uiso 1 1 calc R U . . .
C235 C 0.4503(7) 0.2709(9) 0.5977(3) 0.053(5) Uani 1 1 d G . . . .
C236 C 0.4810(7) 0.2799(8) 0.6178(3) 0.059(8) Uani 1 1 d G . . . .
H236 H 0.496463 0.327661 0.621500 0.071 Uiso 1 1 calc R U . . .
C237 C 0.4890(6) 0.2192(10) 0.6327(2) 0.053(7) Uani 1 1 d G . . . .
H237 H 0.509949 0.225366 0.646459 0.064 Uiso 1 1 calc R U . . .
C238 C 0.4663(7) 0.1493(9) 0.6273(3) 0.064(8) Uani 1 1 d G . . . .
H238 H 0.471782 0.107814 0.637467 0.077 Uiso 1 1 calc R U . . .
C194 C 0.5149(10) 0.5484(18) 0.6551(5) 0.058(7) Uani 1 1 d . . . . .
H194 H 0.503846 0.523272 0.641449 0.070 Uiso 1 1 calc R U . . .
C181 C 0.4624(10) 0.4081(16) 0.6651(5) 0.059(4) Uani 1 1 d . . . . .
H181 H 0.484366 0.410978 0.655223 0.071 Uiso 1 1 calc R U . . .
B3 B 0.4180(13) 0.891(2) 0.6895(6) 0.058(3) Uani 1 1 d . . . . .
C178 C 0.3472(13) 0.2525(19) 0.7617(6) 0.076(8) Uani 1 1 d . . . . .
H178 H 0.363417 0.255034 0.776633 0.091 Uiso 1 1 calc R U . . .
C219 C 0.3506(10) 0.1245(18) 0.6360(4) 0.053(7) Uani 1 1 d . . . . .
H219 H 0.347676 0.071739 0.639498 0.064 Uiso 1 1 calc R U . . .
C24 C 0.5615(6) 0.4938(10) 0.8043(2) 0.053(6) Uani 1 1 d G . . . .
H24 H 0.547226 0.475066 0.790178 0.064 Uiso 1 1 calc R U . . .
C25 C 0.5658(7) 0.5727(9) 0.8081(2) 0.058(7) Uani 1 1 d G . . . .
H25 H 0.554502 0.607882 0.796511 0.069 Uiso 1 1 calc R U . . .
C20 C 0.5867(7) 0.6001(8) 0.8288(3) 0.048(5) Uani 1 1 d G . . . .
C21 C 0.6033(7) 0.5486(11) 0.8457(2) 0.061(7) Uani 1 1 d G . . . .
H21 H 0.617620 0.567370 0.859900 0.074 Uiso 1 1 calc R U . . .
C22 C 0.5990(8) 0.4697(10) 0.8420(3) 0.092(13) Uani 1 1 d G . . . .
H22 H 0.610345 0.434555 0.853568 0.111 Uiso 1 1 calc R U . . .
C23 C 0.5781(8) 0.4423(7) 0.8213(3) 0.070(8) Uani 1 1 d G . . . .
H23 H 0.575148 0.388402 0.818707 0.084 Uiso 1 1 calc R U . . .
C216 C 0.3120(11) 0.2636(16) 0.5908(4) 0.051(7) Uani 1 1 d . . . . .
H216 H 0.293941 0.233042 0.579393 0.061 Uiso 1 1 calc R U . . .
C265 C 0.4016(6) 0.5116(12) 0.8341(2) 0.052(5) Uani 1 1 d G . . . .
C270 C 0.3808(5) 0.5008(14) 0.8516(3) 0.082(10) Uani 1 1 d G . . . .
H270 H 0.348804 0.510836 0.849863 0.098 Uiso 1 1 calc R U . . .
C269 C 0.4069(6) 0.4754(13) 0.8716(2) 0.077(9) Uani 1 1 d G . . . .
H269 H 0.392724 0.468056 0.883596 0.092 Uiso 1 1 calc R U . . .
C268 C 0.4538(6) 0.4608(11) 0.8742(2) 0.051(6) Uani 1 1 d G . . . .
H268 H 0.471597 0.443456 0.887853 0.061 Uiso 1 1 calc R U . . .
C267 C 0.4745(5) 0.4716(12) 0.8566(3) 0.072(9) Uani 1 1 d G . . . .
H267 H 0.506552 0.461637 0.858377 0.087 Uiso 1 1 calc R U . . .
C266 C 0.4484(6) 0.4970(11) 0.8366(2) 0.050(6) Uani 1 1 d G . . . .
H266 H 0.462632 0.504417 0.824643 0.060 Uiso 1 1 calc R U . . .
C151 C 0.1808(11) 0.8293(17) 0.6246(5) 0.062(7) Uani 1 1 d . . . . .
H151 H 0.186886 0.872538 0.616422 0.074 Uiso 1 1 calc R U . . .
C64 C 0.4924(11) 0.8330(17) 0.7910(5) 0.061(8) Uani 1 1 d . . . . .
H64 H 0.501725 0.829275 0.777525 0.073 Uiso 1 1 calc R U . . .
C149 C 0.1448(11) 0.7792(16) 0.6524(4) 0.052(6) Uani 1 1 d . . . . .
H149 H 0.126848 0.787600 0.662964 0.062 Uiso 1 1 calc R U . . .
C162 C 0.1712(13) 0.3153(16) 0.5815(4) 0.071(10) Uani 1 1 d . . . . .
H162 H 0.160072 0.338763 0.567575 0.085 Uiso 1 1 calc R U . . .
C88 C 0.4532(10) 1.0559(16) 0.8800(5) 0.051(4) Uani 1 1 d . . . . .
H88 H 0.437669 1.087546 0.867129 0.062 Uiso 1 1 calc R U . . .
C71 C 0.5979(7) 1.0288(13) 0.7372(2) 0.072(8) Uani 1 1 d G . . . .
H71 H 0.600796 1.019590 0.722680 0.087 Uiso 1 1 calc R U . . .
C72 C 0.5689(7) 1.0869(12) 0.7414(2) 0.078(9) Uani 1 1 d G . . . .
H72 H 0.552044 1.117445 0.729741 0.094 Uiso 1 1 calc R U . . .
C73 C 0.5647(7) 1.1004(10) 0.7627(3) 0.068(8) Uani 1 1 d G . . . .
H73 H 0.544887 1.140131 0.765594 0.082 Uiso 1 1 calc R U . . .
C68 C 0.5894(7) 1.0558(11) 0.7798(2) 0.045(4) Uani 1 1 d G . . . .
C69 C 0.6183(6) 0.9976(10) 0.7756(2) 0.058(6) Uani 1 1 d G . . . .
H69 H 0.635233 0.967106 0.787326 0.069 Uiso 1 1 calc R U . . .
C70 C 0.6226(7) 0.9841(11) 0.7543(3) 0.071(8) Uani 1 1 d G . . . .
H70 H 0.642391 0.944420 0.751473 0.085 Uiso 1 1 calc R U . . .
C157 C 0.0532(13) 0.642(2) 0.5658(5) 0.085(11) Uani 1 1 d . . . . .
H157 H 0.031913 0.669117 0.554708 0.102 Uiso 1 1 calc R U . . .
C135 C 0.2525(7) 0.6264(9) 0.7194(3) 0.082(9) Uani 1 1 d G . . . .
H135 H 0.266507 0.675899 0.721164 0.099 Uiso 1 1 calc R U . . .
C136 C 0.2702(6) 0.5672(12) 0.7338(3) 0.066(7) Uani 1 1 d G . . . .
H136 H 0.296394 0.576257 0.745407 0.079 Uiso 1 1 calc R U . . .
C137 C 0.2496(7) 0.4949(10) 0.7312(3) 0.059(6) Uani 1 1 d G . . . .
H137 H 0.261775 0.454424 0.741083 0.071 Uiso 1 1 calc R U . . .
C138 C 0.2113(7) 0.4817(9) 0.7143(3) 0.066(8) Uani 1 1 d G . . . .
H138 H 0.197269 0.432232 0.712516 0.079 Uiso 1 1 calc R U . . .
C133 C 0.1936(6) 0.5409(11) 0.6999(3) 0.053(5) Uani 1 1 d G . . . .
C134 C 0.2141(7) 0.6133(9) 0.7024(3) 0.057(6) Uani 1 1 d G . . . .
H134 H 0.202000 0.653708 0.692597 0.068 Uiso 1 1 calc R U . . .
C302 C 0.4203(11) 0.920(2) 0.6482(5) 0.073(8) Uani 1 1 d . . . . .
H302 H 0.400551 0.962445 0.648774 0.087 Uiso 1 1 calc R U . . .
C150 C 0.1570(10) 0.8372(18) 0.6412(4) 0.054(6) Uani 1 1 d . . . . .
H150 H 0.148933 0.887824 0.644645 0.065 Uiso 1 1 calc R U . . .
C257 C 0.2347(7) 0.7860(11) 0.8906(4) 0.073(7) Uani 1 1 d G . . . .
H257 H 0.210940 0.823072 0.890038 0.088 Uiso 1 1 calc R U . . .
C258 C 0.2635(8) 0.7663(12) 0.9106(3) 0.068(6) Uani 1 1 d G . . . .
H258 H 0.259386 0.789865 0.923677 0.082 Uiso 1 1 calc R U . . .
C253 C 0.2982(7) 0.7121(14) 0.9114(3) 0.080(7) Uani 1 1 d G . . . .
C254 C 0.3042(7) 0.6776(12) 0.8922(4) 0.081(9) Uani 1 1 d G . . . .
H254 H 0.327919 0.640527 0.892783 0.097 Uiso 1 1 calc R U . . .
C255 C 0.2754(9) 0.6973(12) 0.8722(3) 0.082(9) Uani 1 1 d G . . . .
H255 H 0.279474 0.673733 0.859145 0.098 Uiso 1 1 calc R U . . .
C256 C 0.2407(8) 0.7515(12) 0.8714(3) 0.077(8) Uani 1 1 d G . . . .
H256 H 0.220985 0.765005 0.857772 0.093 Uiso 1 1 calc R U . . .
C12 C 0.5503(7) 0.6246(12) 0.9398(4) 0.077(7) Uani 1 1 d G . . . .
H12 H 0.533068 0.632258 0.950641 0.092 Uiso 1 1 calc R U . . .
C313 C 0.5959(8) 0.6492(11) 0.9436(3) 0.079(8) Uani 1 1 d G . . . .
H313 H 0.609823 0.673677 0.957036 0.095 Uiso 1 1 calc R U . . .
C8 C 0.6212(5) 0.6380(12) 0.9277(4) 0.069(6) Uani 1 1 d G . . . .
C9 C 0.6008(7) 0.6022(12) 0.9081(3) 0.077(8) Uani 1 1 d G . . . .
H9 H 0.618090 0.594571 0.897249 0.093 Uiso 1 1 calc R U . . .
C10 C 0.5552(8) 0.5776(13) 0.9043(3) 0.090(9) Uani 1 1 d G . . . .
H10 H 0.541335 0.553152 0.890854 0.108 Uiso 1 1 calc R U . . .
C11 C 0.5300(6) 0.5888(13) 0.9201(4) 0.092(10) Uani 1 1 d G . . . .
H11 H 0.498824 0.571994 0.917550 0.110 Uiso 1 1 calc R U . . .
C116 C 0.5429(7) 1.2485(12) 0.8504(3) 0.068(8) Uani 1 1 d G . . . .
H116 H 0.542179 1.227371 0.836391 0.082 Uiso 1 1 calc R U . . .
C115 C 0.5039(6) 1.2451(12) 0.8591(3) 0.057(6) Uani 1 1 d G . . . .
C120 C 0.5050(7) 1.2760(13) 0.8796(3) 0.083(10) Uani 1 1 d G . . . .
H120 H 0.478292 1.273651 0.885529 0.099 Uiso 1 1 calc R U . . .
C119 C 0.5451(8) 1.3103(13) 0.8916(3) 0.081(9) Uani 1 1 d G . . . .
H119 H 0.545841 1.331368 0.905612 0.097 Uiso 1 1 calc R U . . .
C118 C 0.5841(6) 1.3137(12) 0.8829(3) 0.075(8) Uani 1 1 d G . . . .
H118 H 0.611559 1.337088 0.891085 0.090 Uiso 1 1 calc R U . . .
C117 C 0.5830(6) 1.2828(12) 0.8624(3) 0.069(7) Uani 1 1 d G . . . .
H117 H 0.609730 1.285089 0.856474 0.083 Uiso 1 1 calc R U . . .
C304 C 0.4593(12) 0.8495(19) 0.6249(5) 0.068(8) Uani 1 1 d . . . . .
H304 H 0.467768 0.842107 0.611361 0.082 Uiso 1 1 calc R U . . .
C156 C 0.0413(11) 0.6264(18) 0.5863(5) 0.060(7) Uani 1 1 d . . . . .
H156 H 0.011274 0.631002 0.589061 0.072 Uiso 1 1 calc R U . . .
C92 C 0.3936(9) 1.1345(14) 0.9323(3) 0.102(13) Uani 1 1 d G . . . .
H92 H 0.380362 1.152545 0.943791 0.123 Uiso 1 1 calc R U . . .
C91 C 0.4260(8) 1.0754(12) 0.9362(3) 0.067(7) Uani 1 1 d G . . . .
H91 H 0.434903 1.053101 0.950340 0.080 Uiso 1 1 calc R U . . .
C90 C 0.4453(6) 1.0490(11) 0.9193(3) 0.061(7) Uani 1 1 d G . . . .
H90 H 0.467435 1.008657 0.921999 0.073 Uiso 1 1 calc R U . . .
C89 C 0.4322(7) 1.0817(12) 0.8986(3) 0.059(5) Uani 1 1 d G . . . .
C94 C 0.3998(8) 1.1408(12) 0.8947(3) 0.077(9) Uani 1 1 d G . . . .
H94 H 0.390885 1.163103 0.880559 0.092 Uiso 1 1 calc R U . . .
C93 C 0.3805(8) 1.1672(13) 0.9116(4) 0.110(14) Uani 1 1 d G . . . .
H93 H 0.358352 1.207548 0.908900 0.132 Uiso 1 1 calc R U . . .
C246 C 0.2563(7) 0.6785(13) 0.9529(3) 0.082(10) Uani 1 1 d G . . . .
H246 H 0.240938 0.657648 0.939179 0.098 Uiso 1 1 calc R U . . .
C245 C 0.2330(6) 0.6861(14) 0.9696(3) 0.069(8) Uani 1 1 d G . . . .
H245 H 0.201716 0.670405 0.967362 0.083 Uiso 1 1 calc R U . . .
C244 C 0.2556(7) 0.7167(15) 0.9897(3) 0.086(11) Uani 1 1 d G . . . .
H244 H 0.239639 0.721876 1.001164 0.103 Uiso 1 1 calc R U . . .
C243 C 0.3014(7) 0.7397(15) 0.9931(3) 0.088(11) Uani 1 1 d G . . . .
H243 H 0.316784 0.760590 1.006783 0.105 Uiso 1 1 calc R U . . .
C242 C 0.3247(6) 0.7321(13) 0.9763(3) 0.080(9) Uani 1 1 d G . . . .
H242 H 0.356006 0.747832 0.978601 0.096 Uiso 1 1 calc R U . . .
C241 C 0.3022(7) 0.7015(13) 0.9562(3) 0.062(5) Uani 1 1 d G . . . .
C229 C 0.4182(7) 0.5480(9) 0.5729(3) 0.057(4) Uani 1 1 d G U . . .
C234 C 0.3861(7) 0.5868(11) 0.5569(3) 0.066(7) Uani 1 1 d G . . . .
H234 H 0.371226 0.560848 0.543855 0.079 Uiso 1 1 calc R U . . .
C233 C 0.3758(7) 0.6635(11) 0.5600(3) 0.081(10) Uani 1 1 d G . . . .
H233 H 0.353877 0.690024 0.549106 0.097 Uiso 1 1 calc R U . . .
C232 C 0.3976(8) 0.7014(9) 0.5791(4) 0.079(9) Uani 1 1 d G . . . .
H232 H 0.390551 0.753863 0.581230 0.095 Uiso 1 1 calc R U . . .
C231 C 0.4297(7) 0.6626(11) 0.5951(3) 0.076(9) Uani 1 1 d G . . . .
H231 H 0.444575 0.688526 0.608104 0.092 Uiso 1 1 calc R U . . .
C230 C 0.4400(6) 0.5859(11) 0.5919(3) 0.062(7) Uani 1 1 d G . . . .
H230 H 0.461925 0.559349 0.602854 0.074 Uiso 1 1 calc R U . . .
C38 C 0.7076(12) 0.948(2) 0.8873(5) 0.070(9) Uani 1 1 d . . . . .
C249 C 0.4082(8) 0.8713(9) 0.9400(3) 0.080(8) Uani 1 1 d G . . . .
H249 H 0.404356 0.922980 0.934893 0.096 Uiso 1 1 calc R U . . .
C248 C 0.3718(6) 0.8194(12) 0.9343(3) 0.078(9) Uani 1 1 d G . . . .
H248 H 0.343163 0.835590 0.925359 0.093 Uiso 1 1 calc R U . . .
C247 C 0.3774(7) 0.7437(11) 0.9417(4) 0.071(6) Uani 1 1 d G . . . .
C252 C 0.4193(8) 0.7199(10) 0.9548(4) 0.092(11) Uani 1 1 d G . . . .
H252 H 0.423096 0.668225 0.959861 0.110 Uiso 1 1 calc R U . . .
C251 C 0.4556(6) 0.7718(13) 0.9605(3) 0.080(8) Uani 1 1 d G . . . .
H251 H 0.484289 0.755613 0.969396 0.096 Uiso 1 1 calc R U . . .
C250 C 0.4501(6) 0.8475(12) 0.9530(3) 0.072(7) Uani 1 1 d G . . . .
H250 H 0.474920 0.882990 0.956912 0.086 Uiso 1 1 calc R U . . .
C193 C 0.5553(13) 0.599(2) 0.6592(6) 0.087(11) Uani 1 1 d . . . . .
H193 H 0.571011 0.607337 0.647815 0.104 Uiso 1 1 calc R U . . .
C330 C 0.1945(8) 0.0832(10) 0.5436(3) 0.075(10) Uani 1 1 d G . . . .
H330 H 0.209765 0.113577 0.555703 0.089 Uiso 1 1 calc R U . . .
C325 C 0.2038(7) 0.0048(11) 0.5431(3) 0.058(5) Uani 1 1 d G . . . .
C326 C 0.1814(7) -0.0395(8) 0.5254(3) 0.070(9) Uani 1 1 d G . . . .
H326 H 0.187808 -0.093114 0.524981 0.084 Uiso 1 1 calc R U . . .
C327 C 0.1498(7) -0.0055(11) 0.5082(3) 0.072(9) Uani 1 1 d G . . . .
H327 H 0.134523 -0.035862 0.496087 0.086 Uiso 1 1 calc R U . . .
C328 C 0.1405(7) 0.0729(11) 0.5087(3) 0.071(9) Uani 1 1 d G . . . .
H328 H 0.118857 0.096109 0.497001 0.086 Uiso 1 1 calc R U . . .
C329 C 0.1628(9) 0.1173(9) 0.5264(3) 0.094(13) Uani 1 1 d G . . . .
H329 H 0.156478 0.170829 0.526810 0.113 Uiso 1 1 calc R U . . .
C191 C 0.5541(11) 0.6169(18) 0.6958(5) 0.063(8) Uani 1 1 d . . . . .
H191 H 0.570029 0.632331 0.710063 0.075 Uiso 1 1 calc R U . . .
C192 C 0.5710(10) 0.6334(18) 0.6789(5) 0.060(7) Uani 1 1 d . . . . .
H192 H 0.594960 0.670679 0.680380 0.072 Uiso 1 1 calc R U . . .
C261 C 0.4030(6) 0.4965(13) 0.9279(3) 0.086(9) Uani 1 1 d G . . . .
H261 H 0.429344 0.484877 0.922309 0.103 Uiso 1 1 calc R U . . .
C260 C 0.3871(7) 0.5719(11) 0.9275(3) 0.065(6) Uani 1 1 d G . . . .
H260 H 0.402511 0.611818 0.921691 0.078 Uiso 1 1 calc R U . . .
C259 C 0.3485(8) 0.5888(9) 0.9357(4) 0.067(6) Uani 1 1 d G . . . .
C264 C 0.3259(7) 0.5304(12) 0.9442(4) 0.090(10) Uani 1 1 d G . . . .
H264 H 0.299588 0.541934 0.949831 0.108 Uiso 1 1 calc R U . . .
C263 C 0.3419(8) 0.4549(11) 0.9446(4) 0.086(10) Uani 1 1 d G . . . .
H263 H 0.326420 0.414993 0.950450 0.103 Uiso 1 1 calc R U . . .
C262 C 0.3804(8) 0.4380(10) 0.9364(4) 0.077(8) Uani 1 1 d G . . . .
H262 H 0.391298 0.386463 0.936689 0.093 Uiso 1 1 calc R U . . .
B4 B 0.2404(14) -0.036(2) 0.5625(6) 0.061(3) Uani 1 1 d . . . . .
C52 C 0.5531(7) 0.9854(10) 0.9727(3) 0.072(8) Uani 1 1 d G . . . .
H52 H 0.538166 1.034092 0.971669 0.087 Uiso 1 1 calc R U . . .
C51 C 0.5570(7) 0.9408(13) 0.9915(3) 0.080(9) Uani 1 1 d G . . . .
H51 H 0.544692 0.959131 1.003241 0.096 Uiso 1 1 calc R U . . .
C50 C 0.5788(7) 0.8696(12) 0.9930(2) 0.070(7) Uani 1 1 d G . . . .
H50 H 0.581439 0.839138 1.005803 0.084 Uiso 1 1 calc R U . . .
C49 C 0.5967(7) 0.8428(10) 0.9758(3) 0.063(7) Uani 1 1 d G . . . .
H49 H 0.611660 0.794106 0.976792 0.076 Uiso 1 1 calc R U . . .
C48 C 0.5929(8) 0.8873(12) 0.9570(3) 0.063(5) Uani 1 1 d G . . . .
C53 C 0.5710(8) 0.9586(11) 0.9555(3) 0.082(10) Uani 1 1 d G . . . .
H53 H 0.568387 0.989059 0.942658 0.098 Uiso 1 1 calc R U . . .
B2 B 0.3640(12) 0.545(2) 0.8090(6) 0.052(3) Uani 1 1 d . . . . .
C177 C 0.3002(13) 0.258(2) 0.7566(5) 0.079(10) Uani 1 1 d . . . . .
H177 H 0.283340 0.249504 0.767494 0.095 Uiso 1 1 calc R U . . .
B1 B 0.3299(14) 0.690(2) 0.9367(6) 0.068(4) Uani 1 1 d . . . . .
C186 C 0.5608(6) 0.3148(14) 0.7046(4) 0.126(16) Uani 1 1 d G . . . .
H186 H 0.591061 0.297515 0.704433 0.151 Uiso 1 1 calc R U . . .
C187 C 0.5333(7) 0.3483(14) 0.6860(3) 0.078(8) Uani 1 1 d G . . . .
H187 H 0.544755 0.354018 0.673159 0.094 Uiso 1 1 calc R U . . .
C182 C 0.4891(7) 0.3736(11) 0.6863(3) 0.066(6) Uani 1 1 d G . . . .
C183 C 0.4724(6) 0.3652(12) 0.7051(3) 0.069(7) Uani 1 1 d G . . . .
H183 H 0.442221 0.382486 0.705326 0.082 Uiso 1 1 calc R U . . .
C184 C 0.4999(8) 0.3317(13) 0.7237(3) 0.091(10) Uani 1 1 d G . . . .
H184 H 0.488526 0.325984 0.736599 0.110 Uiso 1 1 calc R U . . .
C185 C 0.5441(8) 0.3064(13) 0.7235(3) 0.085(8) Uani 1 1 d G . . . .
H185 H 0.562945 0.283498 0.736153 0.102 Uiso 1 1 calc R U . . .
C29 C 0.7112(6) 0.6332(10) 0.7961(4) 0.070(6) Uani 1 1 d G . . . .
H29 H 0.735215 0.596969 0.796374 0.084 Uiso 1 1 calc R U . . .
C30 C 0.6927(7) 0.6742(12) 0.7771(3) 0.062(6) Uani 1 1 d G . . . .
H30 H 0.704157 0.665897 0.764338 0.075 Uiso 1 1 calc R U . . .
C31 C 0.6576(7) 0.7272(11) 0.7768(2) 0.064(6) Uani 1 1 d G . . . .
H31 H 0.644977 0.755222 0.763778 0.077 Uiso 1 1 calc R U . . .
C32 C 0.6409(6) 0.7394(10) 0.7955(3) 0.062(6) Uani 1 1 d G . . . .
H32 H 0.616854 0.775619 0.795253 0.074 Uiso 1 1 calc R U . . .
C27 C 0.6593(7) 0.6984(12) 0.8145(3) 0.064(5) Uani 1 1 d G . . . .
C28 C 0.6945(7) 0.6453(11) 0.8148(3) 0.078(5) Uani 1 1 d G U . . .
H28 H 0.707091 0.617366 0.827850 0.094 Uiso 1 1 calc R U . . .
C14 C 0.7858(10) 0.8138(19) 0.9047(6) 0.064(6) Uani 1 1 d . . . . .
H14 H 0.787850 0.842369 0.917817 0.077 Uiso 1 1 calc R U . . .
C112 C 0.4148(8) 0.9636(11) 0.7643(3) 0.105(14) Uani 1 1 d G . . . .
H112 H 0.412840 0.929378 0.752299 0.127 Uiso 1 1 calc R U . . .
C113 C 0.4436(7) 1.0275(11) 0.7665(3) 0.054(6) Uani 1 1 d G . . . .
H113 H 0.461378 1.037017 0.755918 0.065 Uiso 1 1 calc R U . . .
C114 C 0.4465(7) 1.0775(9) 0.7840(3) 0.063(8) Uani 1 1 d G . . . .
H114 H 0.466162 1.121234 0.785491 0.076 Uiso 1 1 calc R U . . .
C109 C 0.4205(7) 1.0636(10) 0.7994(3) 0.053(5) Uani 1 1 d DG . . . .
C110 C 0.3916(6) 0.9997(11) 0.7973(3) 0.060(6) Uani 1 1 d G . . . .
H110 H 0.373872 0.990177 0.807826 0.072 Uiso 1 1 calc R U . . .
C111 C 0.3888(7) 0.9497(10) 0.7797(3) 0.068(8) Uani 1 1 d G . . . .
H111 H 0.369087 0.905958 0.778254 0.082 Uiso 1 1 calc R U . . .
C129 C 0.1224(11) 0.2308(19) 0.6352(5) 0.062(7) Uani 1 1 d . . . . .
H129 H 0.141463 0.187722 0.640329 0.074 Uiso 1 1 calc R U . . .
C130 C 0.0904(11) 0.2331(19) 0.6157(5) 0.064(7) Uani 1 1 d . . . . .
H130 H 0.079282 0.185766 0.608919 0.077 Uiso 1 1 calc R U . . .
C141 C 0.3607(11) 0.5409(16) 0.7095(5) 0.059(8) Uani 1 1 d . . . . .
H141 H 0.382269 0.518786 0.721463 0.071 Uiso 1 1 calc R U . . .
C176 C 0.2796(12) 0.2750(15) 0.7378(4) 0.054(6) Uani 1 1 d . . . . .
H176 H 0.247268 0.284018 0.735256 0.065 Uiso 1 1 calc R U . . .
C303 C 0.4339(12) 0.9040(19) 0.6287(5) 0.068(8) Uani 1 1 d . . . . .
H303 H 0.422615 0.938234 0.616817 0.082 Uiso 1 1 calc R U . . .
C179 C 0.3706(12) 0.2432(17) 0.7461(5) 0.061(7) Uani 1 1 d . . . . .
H179 H 0.401736 0.225980 0.749829 0.073 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy3 O5 2.187(16) . ?
Dy3 N14 2.63(2) . ?
Dy3 O6 2.281(16) . ?
Dy3 N15 2.71(2) . ?
Dy3 N17 2.59(2) . ?
Dy3 O7 2.249(16) . ?
Dy3 N13 2.58(2) . ?
Dy3 N16 2.66(2) . ?
Dy3 N18 2.60(2) . ?
Dy4 O8 2.205(16) . ?
Dy4 N21 2.63(2) . ?
Dy4 O6 2.209(16) . ?
Dy4 N20 2.67(2) . ?
Dy4 N22 2.69(2) . ?
Dy4 O7 2.231(17) . ?
Dy4 N24 2.60(2) . ?
Dy4 N23 2.62(2) . ?
Dy4 N19 2.70(2) . ?
Dy2 N7 2.64(2) . ?
Dy2 O4 2.138(18) . ?
Dy2 N10 2.60(2) . ?
Dy2 N12 2.62(2) . ?
Dy2 O2 2.299(17) . ?
Dy2 O3 2.247(17) . ?
Dy2 N11 2.67(2) . ?
Dy2 N8 2.69(2) . ?
Dy2 N9 2.61(2) . ?
Dy1 N4 2.62(2) . ?
Dy1 O1 2.232(17) . ?
Dy1 O2 2.202(18) . ?
Dy1 O3 2.207(16) . ?
Dy1 N1 2.70(2) . ?
Dy1 N3 2.71(2) . ?
Dy1 N2 2.69(2) . ?
Dy1 N6 2.65(2) . ?
Dy1 N5 2.71(2) . ?
O8 C226 1.295(19) . ?
N7 C65 1.39(3) . ?
N7 C61 1.33(3) . ?
N4 C40 1.59(3) . ?
N4 C39 1.28(4) . ?
O5 C124 1.35(3) . ?
O1 C4 1.30(2) . ?
N21 C200 1.38(3) . ?
N21 C196 1.32(3) . ?
O4 C103 1.33(3) . ?
N10 C86 1.32(3) . ?
N10 C82 1.38(3) . ?
N14 C144 1.33(3) . ?
N14 C140 1.38(3) . ?
N12 C67 1.43(3) . ?
N12 C66 1.28(3) . ?
O6 O7 1.48(2) . ?
O2 O3 1.46(2) . ?
N15 C145 1.17(3) . ?
N15 C146 1.55(3) . ?
N20 C188 1.54(3) . ?
N20 C195 1.18(3) . ?
N17 C165 1.38(3) . ?
N17 C161 1.41(3) . ?
N11 C81 1.35(3) . ?
N11 C74 1.54(3) . ?
N22 C201 1.17(3) . ?
N22 C202 1.44(3) . ?
N8 C102 1.36(3) . ?
N8 C95 1.40(3) . ?
N1 C19 1.56(4) . ?
N1 C60 1.21(3) . ?
N24 C221 1.40(3) . ?
N24 C217 1.43(3) . ?
N3 C54 1.22(3) . ?
N3 C47 1.52(3) . ?
N13 C174 1.53(3) . ?
N13 C139 1.25(3) . ?
N23 C209 1.58(3) . ?
N23 C216 1.33(3) . ?
N2 C59 1.41(3) . ?
N2 C55 1.17(3) . ?
N16 C153 1.42(3) . ?
N16 C160 1.35(3) . ?
N9 C87 1.42(4) . ?
N9 C88 1.43(3) . ?
C86 C85 1.27(4) . ?
C86 C87 1.47(4) . ?
N6 C26 1.46(4) . ?
N6 C33 1.27(3) . ?
C143 H143 0.9500 . ?
C143 C144 1.27(4) . ?
C143 C142 1.42(4) . ?
N18 C167 1.49(3) . ?
N18 C166 1.35(3) . ?
C81 H81 0.9500 . ?
C81 C82 1.42(3) . ?
N5 C34 1.29(3) . ?
N5 C38 1.21(3) . ?
C209 H209 1.0000 . ?
C209 C202 1.61(4) . ?
C209 C210 1.48(3) . ?
C165 C164 1.42(3) . ?
C165 C166 1.48(3) . ?
C147 C152 1.30(4) . ?
C147 C148 1.42(4) . ?
C147 C146 1.63(4) . ?
C67 H67 1.0000 . ?
C67 C74 1.48(4) . ?
C67 C68 1.54(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.42(4) . ?
C35 C34 1.36(4) . ?
C65 C66 1.51(3) . ?
C65 C64 1.23(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.49(4) . ?
C75 C80 1.3900 . ?
C75 C76 1.3900 . ?
C75 C74 1.52(3) . ?
C80 H80 0.9500 . ?
C80 C79 1.3900 . ?
C79 H79 0.9500 . ?
C79 C78 1.3900 . ?
C78 H78 0.9500 . ?
C78 C77 1.3900 . ?
C77 H77 0.9500 . ?
C77 C76 1.3900 . ?
C76 H76 0.9500 . ?
C123 C122 1.29(4) . ?
C123 C124 1.35(4) . ?
C123 C133 1.50(3) . ?
C197 H197 0.9500 . ?
C197 C196 1.38(4) . ?
C197 C198 1.34(4) . ?
C201 H201 0.9500 . ?
C201 C200 1.44(4) . ?
C199 H199 0.9500 . ?
C199 C200 1.47(4) . ?
C199 C198 1.40(4) . ?
C161 C160 1.33(4) . ?
C161 C162 1.38(3) . ?
C167 H167 1.0000 . ?
C167 C174 1.45(3) . ?
C167 C168 1.57(3) . ?
C26 H26 1.0000 . ?
C26 C19 1.52(4) . ?
C26 C27 1.56(3) . ?
C153 H153 1.0000 . ?
C153 C154 1.46(3) . ?
C153 C146 1.54(3) . ?
C82 C83 1.35(4) . ?
C221 C220 1.38(4) . ?
C221 C222 1.44(4) . ?
C189 C188 1.56(4) . ?
C189 C190 1.41(4) . ?
C189 C194 1.38(4) . ?
C336 H336 0.9500 . ?
C336 C331 1.44(4) . ?
C336 C335 1.46(4) . ?
C40 H40 1.0000 . ?
C40 C41 1.50(3) . ?
C40 C47 1.52(4) . ?
C164 H164 0.9500 . ?
C164 C163 1.35(3) . ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C42 H42 0.9500 . ?
C42 C43 1.3900 . ?
C43 H43 0.9500 . ?
C43 C44 1.3900 . ?
C44 H44 0.9500 . ?
C44 C45 1.3900 . ?
C45 H45 0.9500 . ?
C45 C46 1.3900 . ?
C46 H46 0.9500 . ?
C61 C102 1.46(2) . ?
C61 C62 1.21(3) . ?
C59 C58 1.35(4) . ?
C59 C60 1.41(4) . ?
C66 H66 0.9500 . ?
C74 H74 1.0000 . ?
C102 H102 0.9500 . ?
C144 C145 1.37(4) . ?
C291 H291 0.9500 . ?
C291 C290 1.3900 . ?
C291 C292 1.3900 . ?
C290 H290 0.9500 . ?
C290 C289 1.3900 . ?
C289 C294 1.3900 . ?
C289 B3 1.89(4) . ?
C294 H294 0.9500 . ?
C294 C293 1.3900 . ?
C293 H293 0.9500 . ?
C293 C292 1.3900 . ?
C292 H292 0.9500 . ?
C39 H39 0.9500 . ?
C39 C38 1.51(4) . ?
C220 H220 0.9500 . ?
C220 C219 1.35(4) . ?
C132 H132 0.9500 . ?
C132 C127 1.46(4) . ?
C132 C131 1.36(4) . ?
C163 H163 0.9500 . ?
C163 C162 1.39(4) . ?
C125 C127 1.55(4) . ?
C125 C124 1.43(4) . ?
C125 C126 1.45(4) . ?
C202 H202 1.0000 . ?
C202 C203 1.53(3) . ?
N19 C222 1.27(3) . ?
N19 C181 1.51(3) . ?
C331 C332 1.26(4) . ?
C331 B4 1.77(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.38(4) . ?
C13 C18 1.42(4) . ?
C13 C5 1.53(3) . ?
C13 C14 1.38(4) . ?
C85 H85 0.9500 . ?
C85 C84 1.49(4) . ?
C159 H159 0.9500 . ?
C159 C154 1.34(4) . ?
C159 C158 1.41(3) . ?
C283 C284 1.54(4) . ?
C283 C288 1.35(4) . ?
C283 B2 1.70(5) . ?
C333 H333 0.9500 . ?
C333 C334 1.40(4) . ?
C333 C332 1.41(4) . ?
C322 H322 0.9500 . ?
C322 C323 1.3900 . ?
C322 C321 1.3900 . ?
C323 H323 0.9500 . ?
C323 C324 1.3900 . ?
C324 H324 0.9500 . ?
C324 C319 1.3900 . ?
C319 C320 1.3900 . ?
C319 B4 1.72(4) . ?
C320 H320 0.9500 . ?
C320 C321 1.3900 . ?
C321 H321 0.9500 . ?
C47 H47 1.0000 . ?
C47 C48 1.58(3) . ?
C127 C128 1.21(4) . ?
C101 H101 0.9500 . ?
C101 C100 1.3900 . ?
C101 C96 1.3900 . ?
C100 H100 0.9500 . ?
C100 C99 1.3900 . ?
C99 H99 0.9500 . ?
C99 C98 1.3900 . ?
C98 H98 0.9500 . ?
C98 C97 1.3900 . ?
C97 H97 0.9500 . ?
C97 C96 1.3900 . ?
C96 C95 1.53(3) . ?
C222 H222 0.9500 . ?
C196 C195 1.49(4) . ?
C18 H18 0.9500 . ?
C18 C17 1.46(4) . ?
C154 C155 1.35(4) . ?
C142 H142 0.9500 . ?
C142 C141 1.46(4) . ?
C128 H128 0.9500 . ?
C128 C129 1.44(4) . ?
C218 H218 0.9500 . ?
C218 C217 1.45(4) . ?
C218 C219 1.40(4) . ?
C83 H83 0.9500 . ?
C83 C84 1.51(4) . ?
C284 H284 0.9500 . ?
C284 C285 1.35(4) . ?
C174 H174 1.0000 . ?
C174 C175 1.50(4) . ?
C334 H334 0.9500 . ?
C334 C335 1.36(4) . ?
C306 H306 0.9500 . ?
C306 C301 1.49(4) . ?
C306 C305 1.39(4) . ?
C158 H158 0.9500 . ?
C158 C157 1.43(4) . ?
C286 H286 0.9500 . ?
C286 C287 1.42(4) . ?
C286 C285 1.47(4) . ?
C152 H152 0.9500 . ?
C152 C151 1.41(4) . ?
C19 H19 1.0000 . ?
C19 C20 1.56(3) . ?
C58 H58 0.9500 . ?
C58 C57 1.45(4) . ?
C148 H148 0.9500 . ?
C148 C149 1.47(4) . ?
C145 H145 0.9500 . ?
C287 H287 0.9500 . ?
C287 C288 1.34(4) . ?
C217 C216 1.37(4) . ?
C122 H122 0.9500 . ?
C122 C121 1.42(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.40(4) . ?
C188 H188 1.0000 . ?
C188 C181 1.50(4) . ?
C104 C103 1.45(4) . ?
C104 C105 1.32(4) . ?
C104 C109 1.52(2) . ?
C108 C103 1.50(4) . ?
C108 C107 1.31(4) . ?
C108 C115 1.44(3) . ?
C84 H84 0.9500 . ?
C335 H335 0.9500 . ?
C55 C56 1.50(4) . ?
C205 H205 0.9500 . ?
C205 C204 1.3900 . ?
C205 C206 1.3900 . ?
C204 H204 0.9500 . ?
C204 C203 1.3900 . ?
C203 C208 1.3900 . ?
C208 H208 0.9500 . ?
C208 C207 1.3900 . ?
C207 H207 0.9500 . ?
C207 C206 1.3900 . ?
C206 H206 0.9500 . ?
C332 H332 0.9500 . ?
C195 H195 0.9500 . ?
C274 H274 0.9500 . ?
C274 C275 1.3900 . ?
C274 C273 1.3900 . ?
C275 H275 0.9500 . ?
C275 C276 1.3900 . ?
C276 H276 0.9500 . ?
C276 C271 1.3900 . ?
C271 C272 1.3900 . ?
C271 B2 1.64(3) . ?
C272 H272 0.9500 . ?
C272 C273 1.3900 . ?
C273 H273 0.9500 . ?
C87 H87 0.9500 . ?
C190 H190 0.9500 . ?
C190 C191 1.45(4) . ?
C105 H105 0.9500 . ?
C105 C106 1.39(4) . ?
C155 H155 0.9500 . ?
C155 C156 1.44(4) . ?
C7 H7 0.9500 . ?
C7 C316 1.3900 . ?
C7 C317 1.3900 . ?
C316 H316 0.9500 . ?
C316 C318 1.3900 . ?
C318 H318 0.9500 . ?
C318 C314 1.3900 . ?
C314 C315 1.3900 . ?
C314 B4 1.71(4) . ?
C315 H315 0.9500 . ?
C315 C317 1.3900 . ?
C317 H317 0.9500 . ?
C121 H121 0.9500 . ?
C121 C126 1.39(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.41(4) . ?
C139 H139 0.9500 . ?
C139 C140 1.43(4) . ?
C307 C308 1.3900 . ?
C307 C312 1.3900 . ?
C307 B3 1.55(4) . ?
C308 H308 0.9500 . ?
C308 C309 1.3900 . ?
C309 H309 0.9500 . ?
C309 C310 1.3900 . ?
C310 H310 0.9500 . ?
C310 C311 1.3900 . ?
C311 H311 0.9500 . ?
C311 C312 1.3900 . ?
C312 H312 0.9500 . ?
C175 C180 1.43(4) . ?
C175 C176 1.46(4) . ?
C63 H63 0.9500 . ?
C63 C62 1.53(4) . ?
C63 C64 1.45(4) . ?
C285 H285 0.9500 . ?
C198 H198 0.9500 . ?
C146 H146 1.0000 . ?
C160 H160 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.40(4) . ?
C15 C14 1.31(4) . ?
C56 H56 0.9500 . ?
C56 C57 1.30(4) . ?
C17 H17 0.9500 . ?
C17 C16 1.48(5) . ?
C296 H296 0.9500 . ?
C296 C295 1.3900 . ?
C296 C297 1.3900 . ?
C295 C300 1.3900 . ?
C295 B3 1.65(4) . ?
C300 H300 0.9500 . ?
C300 C299 1.3900 . ?
C299 H299 0.9500 . ?
C299 C298 1.3900 . ?
C298 H298 0.9500 . ?
C298 C297 1.3900 . ?
C297 H297 0.9500 . ?
C60 H60 0.9500 . ?
C180 H180 0.9500 . ?
C180 C179 1.44(4) . ?
C301 B3 1.61(5) . ?
C301 C302 1.46(4) . ?
C57 H57 0.9500 . ?
C288 H288 0.9500 . ?
C166 H166 0.9500 . ?
C169 H169 0.9500 . ?
C169 C170 1.3900 . ?
C169 C168 1.3900 . ?
C170 H170 0.9500 . ?
C170 C171 1.3900 . ?
C171 H171 0.9500 . ?
C171 C172 1.3900 . ?
C172 H172 0.9500 . ?
C172 C173 1.3900 . ?
C173 H173 0.9500 . ?
C173 C168 1.3900 . ?
C1 H1 0.9500 . ?
C1 C6 1.3900 . ?
C1 C2 1.3900 . ?
C6 H6 0.9500 . ?
C6 C5 1.3900 . ?
C5 C4 1.3900 . ?
C4 C3 1.3900 . ?
C3 C2 1.3900 . ?
C3 C8 1.44(2) . ?
C2 H2 0.9500 . ?
C106 H106 0.9500 . ?
C106 C107 1.41(4) . ?
C126 H126 0.9500 . ?
C62 H62 0.9500 . ?
C140 C141 1.37(4) . ?
C213 H213 0.9500 . ?
C213 C212 1.3900 . ?
C213 C214 1.3900 . ?
C212 H212 0.9500 . ?
C212 C211 1.3900 . ?
C211 H211 0.9500 . ?
C211 C210 1.3900 . ?
C210 C215 1.3900 . ?
C215 H215 0.9500 . ?
C215 C214 1.3900 . ?
C214 H214 0.9500 . ?
C225 C226 1.3900 . ?
C225 C224 1.3900 . ?
C225 C229 1.456(19) . ?
C226 C227 1.3900 . ?
C227 C228 1.3900 . ?
C227 C235 1.527(17) . ?
C228 H228 0.9500 . ?
C228 C223 1.3900 . ?
C223 H223 0.9500 . ?
C223 C224 1.3900 . ?
C224 H224 0.9500 . ?
C107 H107 0.9500 . ?
C95 H95 1.0000 . ?
C95 C88 1.55(4) . ?
C277 C282 1.3900 . ?
C277 C278 1.3900 . ?
C277 B2 1.60(4) . ?
C282 H282 0.9500 . ?
C282 C281 1.3900 . ?
C281 H281 0.9500 . ?
C281 C280 1.3900 . ?
C280 H280 0.9500 . ?
C280 C279 1.3900 . ?
C279 H279 0.9500 . ?
C279 C278 1.3900 . ?
C278 H278 0.9500 . ?
C16 H16 0.9500 . ?
C305 H305 0.9500 . ?
C305 C304 1.35(4) . ?
C131 H131 0.9500 . ?
C131 C130 1.40(4) . ?
C239 H239 0.9500 . ?
C239 C240 1.3900 . ?
C239 C238 1.3900 . ?
C240 H240 0.9500 . ?
C240 C235 1.3900 . ?
C235 C236 1.3900 . ?
C236 H236 0.9500 . ?
C236 C237 1.3900 . ?
C237 H237 0.9500 . ?
C237 C238 1.3900 . ?
C238 H238 0.9500 . ?
C194 H194 0.9500 . ?
C194 C193 1.46(4) . ?
C181 H181 1.0000 . ?
C181 C182 1.51(3) . ?
C178 H178 0.9500 . ?
C178 C177 1.37(5) . ?
C178 C179 1.33(4) . ?
C219 H219 0.9500 . ?
C24 H24 0.9500 . ?
C24 C25 1.3900 . ?
C24 C23 1.3900 . ?
C25 H25 0.9500 . ?
C25 C20 1.3900 . ?
C20 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C22 1.3900 . ?
C22 H22 0.9500 . ?
C22 C23 1.3900 . ?
C23 H23 0.9500 . ?
C216 H216 0.9500 . ?
C265 C270 1.3900 . ?
C265 C266 1.3900 . ?
C265 B2 1.80(4) . ?
C270 H270 0.9500 . ?
C270 C269 1.3900 . ?
C269 H269 0.9500 . ?
C269 C268 1.3900 . ?
C268 H268 0.9500 . ?
C268 C267 1.3900 . ?
C267 H267 0.9500 . ?
C267 C266 1.3900 . ?
C266 H266 0.9500 . ?
C151 H151 0.9500 . ?
C151 C150 1.39(4) . ?
C64 H64 0.9500 . ?
C149 H149 0.9500 . ?
C149 C150 1.33(4) . ?
C162 H162 0.9500 . ?
C88 H88 1.0000 . ?
C88 C89 1.51(3) . ?
C71 H71 0.9500 . ?
C71 C72 1.3900 . ?
C71 C70 1.3900 . ?
C72 H72 0.9500 . ?
C72 C73 1.3900 . ?
C73 H73 0.9500 . ?
C73 C68 1.3900 . ?
C68 C69 1.3900 . ?
C69 H69 0.9500 . ?
C69 C70 1.3900 . ?
C70 H70 0.9500 . ?
C157 H157 0.9500 . ?
C157 C156 1.44(4) . ?
C135 H135 0.9500 . ?
C135 C136 1.3900 . ?
C135 C134 1.3900 . ?
C136 H136 0.9500 . ?
C136 C137 1.3900 . ?
C137 H137 0.9500 . ?
C137 C138 1.3900 . ?
C138 H138 0.9500 . ?
C138 C133 1.3900 . ?
C133 C134 1.3900 . ?
C134 H134 0.9500 . ?
C302 H302 0.9500 . ?
C302 C303 1.40(4) . ?
C150 H150 0.9500 . ?
C257 H257 0.9500 . ?
C257 C258 1.3900 . ?
C257 C256 1.3900 . ?
C258 H258 0.9500 . ?
C258 C253 1.3900 . ?
C253 C254 1.3900 . ?
C253 B1 1.69(4) . ?
C254 H254 0.9500 . ?
C254 C255 1.3900 . ?
C255 H255 0.9500 . ?
C255 C256 1.3900 . ?
C256 H256 0.9500 . ?
C12 H12 0.9500 . ?
C12 C313 1.3900 . ?
C12 C11 1.3900 . ?
C313 H313 0.9500 . ?
C313 C8 1.3900 . ?
C8 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C11 1.3900 . ?
C11 H11 0.9500 . ?
C116 H116 0.9500 . ?
C116 C115 1.3900 . ?
C116 C117 1.3900 . ?
C115 C120 1.3900 . ?
C120 H120 0.9500 . ?
C120 C119 1.3900 . ?
C119 H119 0.9500 . ?
C119 C118 1.3900 . ?
C118 H118 0.9500 . ?
C118 C117 1.3900 . ?
C117 H117 0.9500 . ?
C304 H304 0.9500 . ?
C304 C303 1.27(4) . ?
C156 H156 0.9500 . ?
C92 H92 0.9500 . ?
C92 C91 1.3900 . ?
C92 C93 1.3900 . ?
C91 H91 0.9500 . ?
C91 C90 1.3900 . ?
C90 H90 0.9500 . ?
C90 C89 1.3900 . ?
C89 C94 1.3900 . ?
C94 H94 0.9500 . ?
C94 C93 1.3900 . ?
C93 H93 0.9500 . ?
C246 H246 0.9500 . ?
C246 C245 1.3900 . ?
C246 C241 1.3900 . ?
C245 H245 0.9500 . ?
C245 C244 1.3900 . ?
C244 H244 0.9500 . ?
C244 C243 1.3900 . ?
C243 H243 0.9500 . ?
C243 C242 1.3900 . ?
C242 H242 0.9500 . ?
C242 C241 1.3900 . ?
C241 B1 1.64(4) . ?
C229 C234 1.3900 . ?
C229 C230 1.3900 . ?
C234 H234 0.9500 . ?
C234 C233 1.3900 . ?
C233 H233 0.9500 . ?
C233 C232 1.3900 . ?
C232 H232 0.9500 . ?
C232 C231 1.3900 . ?
C231 H231 0.9500 . ?
C231 C230 1.3900 . ?
C230 H230 0.9500 . ?
C249 H249 0.9500 . ?
C249 C248 1.3900 . ?
C249 C250 1.3900 . ?
C248 H248 0.9500 . ?
C248 C247 1.3900 . ?
C247 C252 1.3900 . ?
C247 B1 1.66(4) . ?
C252 H252 0.9500 . ?
C252 C251 1.3900 . ?
C251 H251 0.9500 . ?
C251 C250 1.3900 . ?
C250 H250 0.9500 . ?
C193 H193 0.9500 . ?
C193 C192 1.36(4) . ?
C330 H330 0.9500 . ?
C330 C325 1.3900 . ?
C330 C329 1.3900 . ?
C325 C326 1.3900 . ?
C325 B4 1.60(4) . ?
C326 H326 0.9500 . ?
C326 C327 1.3900 . ?
C327 H327 0.9500 . ?
C327 C328 1.3900 . ?
C328 H328 0.9500 . ?
C328 C329 1.3900 . ?
C329 H329 0.9500 . ?
C191 H191 0.9500 . ?
C191 C192 1.31(4) . ?
C192 H192 0.9500 . ?
C261 H261 0.9500 . ?
C261 C260 1.3900 . ?
C261 C262 1.3900 . ?
C260 H260 0.9500 . ?
C260 C259 1.3900 . ?
C259 C264 1.3900 . ?
C259 B1 1.85(5) . ?
C264 H264 0.9500 . ?
C264 C263 1.3900 . ?
C263 H263 0.9500 . ?
C263 C262 1.3900 . ?
C262 H262 0.9500 . ?
C52 H52 0.9500 . ?
C52 C51 1.3900 . ?
C52 C53 1.3900 . ?
C51 H51 0.9500 . ?
C51 C50 1.3900 . ?
C50 H50 0.9500 . ?
C50 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C48 1.3900 . ?
C48 C53 1.3900 . ?
C53 H53 0.9500 . ?
C177 H177 0.9500 . ?
C177 C176 1.23(4) . ?
C186 H186 0.9500 . ?
C186 C187 1.3900 . ?
C186 C185 1.3900 . ?
C187 H187 0.9500 . ?
C187 C182 1.3900 . ?
C182 C183 1.3900 . ?
C183 H183 0.9500 . ?
C183 C184 1.3900 . ?
C184 H184 0.9500 . ?
C184 C185 1.3900 . ?
C185 H185 0.9500 . ?
C29 H29 0.9500 . ?
C29 C30 1.3900 . ?
C29 C28 1.3900 . ?
C30 H30 0.9500 . ?
C30 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C32 1.3900 . ?
C32 H32 0.9500 . ?
C32 C27 1.3900 . ?
C27 C28 1.3900 . ?
C28 H28 0.9500 . ?
C14 H14 0.9500 . ?
C112 H112 0.9500 . ?
C112 C113 1.3900 . ?
C112 C111 1.3900 . ?
C113 H113 0.9500 . ?
C113 C114 1.3900 . ?
C114 H114 0.9500 . ?
C114 C109 1.3900 . ?
C109 C110 1.3900 . ?
C110 H110 0.9500 . ?
C110 C111 1.3900 . ?
C111 H111 0.9500 . ?
C129 H129 0.9500 . ?
C129 C130 1.37(4) . ?
C130 H130 0.9500 . ?
C141 H141 0.9500 . ?
C176 H176 0.9500 . ?
C303 H303 0.9500 . ?
C179 H179 0.9500 . ?

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
O5 Dy3 N14 95.3(7) . . ?
O5 Dy3 O6 158.4(6) . . ?
O5 Dy3 N15 92.3(7) . . ?
O5 Dy3 N17 94.9(7) . . ?
O5 Dy3 O7 163.2(6) . . ?
O5 Dy3 N13 77.9(7) . . ?
O5 Dy3 N16 82.2(7) . . ?
O5 Dy3 N18 86.5(7) . . ?
N14 Dy3 N15 58.3(7) . . ?
N14 Dy3 N16 119.0(6) . . ?
O6 Dy3 N14 74.1(7) . . ?
O6 Dy3 N15 97.5(7) . . ?
O6 Dy3 N17 96.4(6) . . ?
O6 Dy3 N13 80.5(7) . . ?
O6 Dy3 N16 119.3(6) . . ?
O6 Dy3 N18 82.8(7) . . ?
N17 Dy3 N14 169.8(7) . . ?
N17 Dy3 N15 120.6(6) . . ?
N17 Dy3 N16 62.0(6) . . ?
N17 Dy3 N18 61.7(6) . . ?
O7 Dy3 N14 95.8(7) . . ?
O7 Dy3 O6 38.2(5) . . ?
O7 Dy3 N15 82.8(7) . . ?
O7 Dy3 N17 74.2(6) . . ?
O7 Dy3 N13 118.6(7) . . ?
O7 Dy3 N16 81.4(6) . . ?
O7 Dy3 N18 98.9(7) . . ?
N13 Dy3 N14 61.3(7) . . ?
N13 Dy3 N15 117.4(7) . . ?
N13 Dy3 N17 121.8(6) . . ?
N13 Dy3 N16 160.0(7) . . ?
N13 Dy3 N18 60.3(7) . . ?
N16 Dy3 N15 60.9(6) . . ?
N18 Dy3 N14 119.7(7) . . ?
N18 Dy3 N15 177.6(7) . . ?
N18 Dy3 N16 121.0(7) . . ?
O8 Dy4 N21 98.4(7) . . ?
O8 Dy4 O6 160.1(6) . . ?
O8 Dy4 N20 90.1(6) . . ?
O8 Dy4 N22 86.2(6) . . ?
O8 Dy4 O7 159.6(6) . . ?
O8 Dy4 N24 91.2(7) . . ?
O8 Dy4 N23 83.2(7) . . ?
O8 Dy4 N19 82.6(6) . . ?
N21 Dy4 N20 58.9(7) . . ?
N21 Dy4 N22 60.3(6) . . ?
N21 Dy4 N19 120.7(7) . . ?
O6 Dy4 N21 93.1(7) . . ?
O6 Dy4 N20 81.9(6) . . ?
O6 Dy4 N22 113.7(6) . . ?
O6 Dy4 O7 39.0(6) . . ?
O6 Dy4 N24 77.1(7) . . ?
O6 Dy4 N23 104.4(7) . . ?
O6 Dy4 N19 77.5(6) . . ?
N20 Dy4 N22 117.7(7) . . ?
N20 Dy4 N19 61.8(7) . . ?
N22 Dy4 N19 168.8(7) . . ?
O7 Dy4 N21 80.3(7) . . ?
O7 Dy4 N20 106.1(6) . . ?
O7 Dy4 N22 75.4(6) . . ?
O7 Dy4 N24 91.5(7) . . ?
O7 Dy4 N23 80.4(7) . . ?
O7 Dy4 N19 115.8(6) . . ?
N24 Dy4 N21 170.2(6) . . ?
N24 Dy4 N20 119.4(7) . . ?
N24 Dy4 N22 122.9(7) . . ?
N24 Dy4 N23 61.0(7) . . ?
N24 Dy4 N19 58.3(7) . . ?
N23 Dy4 N21 122.0(7) . . ?
N23 Dy4 N20 173.4(7) . . ?
N23 Dy4 N22 62.0(7) . . ?
N23 Dy4 N19 117.1(7) . . ?
N7 Dy2 N11 120.3(7) . . ?
N7 Dy2 N8 60.7(7) . . ?
O4 Dy2 N7 94.9(6) . . ?
O4 Dy2 N10 94.2(7) . . ?
O4 Dy2 N12 75.9(7) . . ?
O4 Dy2 O2 162.5(7) . . ?
O4 Dy2 O3 160.0(6) . . ?
O4 Dy2 N11 87.7(7) . . ?
O4 Dy2 N8 91.5(7) . . ?
O4 Dy2 N9 81.5(7) . . ?
N10 Dy2 N7 170.8(6) . . ?
N10 Dy2 N12 120.8(7) . . ?
N10 Dy2 N11 60.6(7) . . ?
N10 Dy2 N8 118.6(7) . . ?
N10 Dy2 N9 61.2(7) . . ?
N12 Dy2 N7 62.2(7) . . ?
N12 Dy2 N11 60.9(7) . . ?
N12 Dy2 N8 119.8(7) . . ?
O2 Dy2 N7 95.1(6) . . ?
O2 Dy2 N10 75.9(6) . . ?
O2 Dy2 N12 121.6(7) . . ?
O2 Dy2 N11 99.6(7) . . ?
O2 Dy2 N8 81.0(7) . . ?
O2 Dy2 N9 81.0(7) . . ?
O3 Dy2 N7 74.2(7) . . ?
O3 Dy2 N10 97.2(6) . . ?
O3 Dy2 N12 84.2(7) . . ?
O3 Dy2 O2 37.5(6) . . ?
O3 Dy2 N11 83.8(7) . . ?
O3 Dy2 N8 97.3(7) . . ?
O3 Dy2 N9 118.4(7) . . ?
N11 Dy2 N8 178.8(7) . . ?
N9 Dy2 N7 119.9(7) . . ?
N9 Dy2 N12 157.3(7) . . ?
N9 Dy2 N11 119.5(7) . . ?
N9 Dy2 N8 59.5(7) . . ?
N4 Dy1 N1 172.0(7) . . ?
N4 Dy1 N3 62.0(7) . . ?
N4 Dy1 N2 119.3(7) . . ?
N4 Dy1 N6 118.6(7) . . ?
N4 Dy1 N5 61.6(7) . . ?
O1 Dy1 N4 85.6(7) . . ?
O1 Dy1 N1 86.4(7) . . ?
O1 Dy1 N3 86.6(6) . . ?
O1 Dy1 N2 95.4(7) . . ?
O1 Dy1 N6 83.0(7) . . ?
O1 Dy1 N5 94.1(7) . . ?
O2 Dy1 N4 81.4(7) . . ?
O2 Dy1 O1 160.6(6) . . ?
O2 Dy1 O3 38.8(6) . . ?
O2 Dy1 N1 105.9(7) . . ?
O2 Dy1 N3 74.6(6) . . ?
O2 Dy1 N2 78.6(7) . . ?
O2 Dy1 N6 116.0(6) . . ?
O2 Dy1 N5 92.4(7) . . ?
O3 Dy1 N4 105.0(7) . . ?
O3 Dy1 O1 160.6(7) . . ?
O3 Dy1 N1 83.0(7) . . ?
O3 Dy1 N3 112.7(6) . . ?
O3 Dy1 N2 93.5(7) . . ?
O3 Dy1 N6 77.7(7) . . ?
O3 Dy1 N5 77.4(7) . . ?
N1 Dy1 N3 116.1(7) . . ?
N1 Dy1 N5 120.4(7) . . ?
N3 Dy1 N5 123.4(7) . . ?
N2 Dy1 N1 60.2(7) . . ?
N2 Dy1 N3 57.5(7) . . ?
N2 Dy1 N5 170.5(6) . . ?
N6 Dy1 N1 61.6(7) . . ?
N6 Dy1 N3 169.4(6) . . ?
N6 Dy1 N2 121.7(7) . . ?
N6 Dy1 N5 59.4(7) . . ?
C226 O8 Dy4 148.6(14) . . ?
C65 N7 Dy2 120.6(17) . . ?
C61 N7 Dy2 120.9(16) . . ?
C61 N7 C65 117(2) . . ?
C40 N4 Dy1 127.0(16) . . ?
C39 N4 Dy1 120.1(19) . . ?
C39 N4 C40 112(2) . . ?
C124 O5 Dy3 136.9(17) . . ?
C4 O1 Dy1 148.4(16) . . ?
C200 N21 Dy4 116.9(16) . . ?
C196 N21 Dy4 126.2(17) . . ?
C196 N21 C200 116(2) . . ?
C103 O4 Dy2 143.6(16) . . ?
C86 N10 Dy2 123.8(17) . . ?
C86 N10 C82 113(2) . . ?
C82 N10 Dy2 121.2(16) . . ?
C144 N14 Dy3 118.9(18) . . ?
C144 N14 C140 120(2) . . ?
C140 N14 Dy3 120.0(16) . . ?
C67 N12 Dy2 120.1(16) . . ?
C66 N12 Dy2 120.4(17) . . ?
C66 N12 C67 119(2) . . ?
Dy4 O6 Dy3 141.0(8) . . ?
O7 O6 Dy3 69.7(9) . . ?
O7 O6 Dy4 71.3(9) . . ?
Dy1 O2 Dy2 140.1(8) . . ?
O3 O2 Dy2 69.3(9) . . ?
O3 O2 Dy1 70.8(9) . . ?
Dy1 O3 Dy2 143.6(9) . . ?
O2 O3 Dy2 73.2(9) . . ?
O2 O3 Dy1 70.4(9) . . ?
C145 N15 Dy3 120(2) . . ?
C145 N15 C146 121(2) . . ?
C146 N15 Dy3 116.9(15) . . ?
C188 N20 Dy4 123.2(16) . . ?
C195 N20 Dy4 120(2) . . ?
C195 N20 C188 117(2) . . ?
C165 N17 Dy3 120.2(16) . . ?
C165 N17 C161 117(2) . . ?
C161 N17 Dy3 122.1(15) . . ?
C81 N11 Dy2 120.5(17) . . ?
C81 N11 C74 117(2) . . ?
C74 N11 Dy2 122.1(15) . . ?
C201 N22 Dy4 122.4(19) . . ?
C201 N22 C202 116(2) . . ?
C202 N22 Dy4 121.8(16) . . ?
C102 N8 Dy2 119.7(16) . . ?
C102 N8 C95 116(2) . . ?
C95 N8 Dy2 123.0(17) . . ?
Dy4 O7 Dy3 141.7(8) . . ?
O6 O7 Dy3 72.1(9) . . ?
O6 O7 Dy4 69.7(9) . . ?
C19 N1 Dy1 121.9(17) . . ?
C60 N1 Dy1 122(2) . . ?
C60 N1 C19 115(2) . . ?
C221 N24 Dy4 122.9(17) . . ?
C221 N24 C217 116(2) . . ?
C217 N24 Dy4 121.0(16) . . ?
C54 N3 Dy1 121.9(19) . . ?
C54 N3 C47 121(2) . . ?
C47 N3 Dy1 117.3(16) . . ?
C174 N13 Dy3 118.3(15) . . ?
C139 N13 Dy3 121.2(18) . . ?
C139 N13 C174 120(2) . . ?
C209 N23 Dy4 127.8(15) . . ?
C216 N23 Dy4 122.4(18) . . ?
C216 N23 C209 109(2) . . ?
C59 N2 Dy1 117.7(19) . . ?
C55 N2 Dy1 122(2) . . ?
C55 N2 C59 119(3) . . ?
C153 N16 Dy3 122.9(15) . . ?
C160 N16 Dy3 114.6(16) . . ?
C160 N16 C153 122(2) . . ?
C87 N9 Dy2 122.1(18) . . ?
C87 N9 C88 116(2) . . ?
C88 N9 Dy2 122.2(17) . . ?
N10 C86 C87 116(2) . . ?
C85 C86 N10 134(3) . . ?
C85 C86 C87 109(3) . . ?
C26 N6 Dy1 122.1(18) . . ?
C33 N6 Dy1 119.6(19) . . ?
C33 N6 C26 118(3) . . ?
C144 C143 H143 114.2 . . ?
C144 C143 C142 132(3) . . ?
C142 C143 H143 114.2 . . ?
C167 N18 Dy3 124.3(15) . . ?
C166 N18 Dy3 123.6(16) . . ?
C166 N18 C167 111(2) . . ?
N11 C81 H81 121.4 . . ?
N11 C81 C82 117(2) . . ?
C82 C81 H81 121.4 . . ?
C34 N5 Dy1 119.6(19) . . ?
C38 N5 Dy1 119(2) . . ?
C38 N5 C34 121(3) . . ?
N23 C209 H209 108.9 . . ?
N23 C209 C202 104(2) . . ?
C202 C209 H209 108.9 . . ?
C210 C209 N23 112(2) . . ?
C210 C209 H209 108.9 . . ?
C210 C209 C202 114(2) . . ?
N17 C165 C164 119(2) . . ?
N17 C165 C166 118(2) . . ?
C164 C165 C166 123(2) . . ?
C152 C147 C148 123(3) . . ?
C152 C147 C146 118(2) . . ?
C148 C147 C146 118(2) . . ?
N12 C67 H67 103.8 . . ?
N12 C67 C74 113(2) . . ?
N12 C67 C68 116(2) . . ?
C74 C67 H67 103.8 . . ?
C74 C67 C68 114(2) . . ?
C68 C67 H67 103.8 . . ?
C36 C35 H35 118.3 . . ?
C34 C35 H35 118.3 . . ?
C34 C35 C36 123(3) . . ?
N7 C65 C66 112(2) . . ?
C64 C65 N7 123(3) . . ?
C64 C65 C66 124(3) . . ?
N3 C54 H54 121.6 . . ?
N3 C54 C55 117(3) . . ?
C55 C54 H54 121.6 . . ?
C80 C75 C76 120.0 . . ?
C80 C75 C74 119.7(16) . . ?
C76 C75 C74 120.2(16) . . ?
C75 C80 H80 120.0 . . ?
C79 C80 C75 120.0 . . ?
C79 C80 H80 120.0 . . ?
C80 C79 H79 120.0 . . ?
C80 C79 C78 120.0 . . ?
C78 C79 H79 120.0 . . ?
C79 C78 H78 120.0 . . ?
C79 C78 C77 120.0 . . ?
C77 C78 H78 120.0 . . ?
C78 C77 H77 120.0 . . ?
C76 C77 C78 120.0 . . ?
C76 C77 H77 120.0 . . ?
C75 C76 H76 120.0 . . ?
C77 C76 C75 120.0 . . ?
C77 C76 H76 120.0 . . ?
C122 C123 C124 119(3) . . ?
C122 C123 C133 119(3) . . ?
C124 C123 C133 121(3) . . ?
C196 C197 H197 121.4 . . ?
C198 C197 H197 121.4 . . ?
C198 C197 C196 117(3) . . ?
N22 C201 H201 120.8 . . ?
N22 C201 C200 118(3) . . ?
C200 C201 H201 120.8 . . ?
C200 C199 H199 122.6 . . ?
C198 C199 H199 122.6 . . ?
C198 C199 C200 115(3) . . ?
C160 C161 N17 112(2) . . ?
C160 C161 C162 128(2) . . ?
C162 C161 N17 120(2) . . ?
N18 C167 H167 107.6 . . ?
N18 C167 C168 115(2) . . ?
C174 C167 N18 108(2) . . ?
C174 C167 H167 107.6 . . ?
C174 C167 C168 111(2) . . ?
C168 C167 H167 107.6 . . ?
N6 C26 H26 104.6 . . ?
N6 C26 C19 113(3) . . ?
N6 C26 C27 121(2) . . ?
C19 C26 H26 104.6 . . ?
C19 C26 C27 108(2) . . ?
C27 C26 H26 104.6 . . ?
N16 C153 H153 107.9 . . ?
N16 C153 C154 121(2) . . ?
N16 C153 C146 103(2) . . ?
C154 C153 H153 107.9 . . ?
C154 C153 C146 108(2) . . ?
C146 C153 H153 107.9 . . ?
N10 C82 C81 116(2) . . ?
C83 C82 N10 125(2) . . ?
C83 C82 C81 118(3) . . ?
N24 C221 C222 113(2) . . ?
C220 C221 N24 124(3) . . ?
C220 C221 C222 121(3) . . ?
C190 C189 C188 119(3) . . ?
C194 C189 C188 118(3) . . ?
C194 C189 C190 123(3) . . ?
C331 C336 H336 124.4 . . ?
C331 C336 C335 111(3) . . ?
C335 C336 H336 124.4 . . ?
N4 C40 H40 111.0 . . ?
C41 C40 N4 112(2) . . ?
C41 C40 H40 111.0 . . ?
C41 C40 C47 107(2) . . ?
C47 C40 N4 104(2) . . ?
C47 C40 H40 111.0 . . ?
C165 C164 H164 118.8 . . ?
C163 C164 C165 122(2) . . ?
C163 C164 H164 118.9 . . ?
C42 C41 C40 120.9(18) . . ?
C42 C41 C46 120.0 . . ?
C46 C41 C40 119.0(17) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 120.0 . . ?
C42 C43 C44 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 H45 120.0 . . ?
C41 C46 H46 120.0 . . ?
C45 C46 C41 120.0 . . ?
C45 C46 H46 120.0 . . ?
N7 C61 C102 119(2) . . ?
C62 C61 N7 119(2) . . ?
C62 C61 C102 122(3) . . ?
N21 C200 C201 119(2) . . ?
N21 C200 C199 122(2) . . ?
C201 C200 C199 119(2) . . ?
C58 C59 N2 121(3) . . ?
C58 C59 C60 121(3) . . ?
C60 C59 N2 118(3) . . ?
N12 C66 C65 122(2) . . ?
N12 C66 H66 118.9 . . ?
C65 C66 H66 118.9 . . ?
N11 C74 H74 108.1 . . ?
C67 C74 N11 106(2) . . ?
C67 C74 C75 115(2) . . ?
C67 C74 H74 108.1 . . ?
C75 C74 N11 111(2) . . ?
C75 C74 H74 108.1 . . ?
N8 C102 C61 115(2) . . ?
N8 C102 H102 122.3 . . ?
C61 C102 H102 122.3 . . ?
N14 C144 C145 117(3) . . ?
C143 C144 N14 117(3) . . ?
C143 C144 C145 126(3) . . ?
C290 C291 H291 120.0 . . ?
C290 C291 C292 120.0 . . ?
C292 C291 H291 120.0 . . ?
C291 C290 H290 120.0 . . ?
C291 C290 C289 120.0 . . ?
C289 C290 H290 120.0 . . ?
C290 C289 C294 120.0 . . ?
C290 C289 B3 115.5(15) . . ?
C294 C289 B3 124.5(15) . . ?
C289 C294 H294 120.0 . . ?
C293 C294 C289 120.0 . . ?
C293 C294 H294 120.0 . . ?
C294 C293 H293 120.0 . . ?
C292 C293 C294 120.0 . . ?
C292 C293 H293 120.0 . . ?
C291 C292 H292 120.0 . . ?
C293 C292 C291 120.0 . . ?
C293 C292 H292 120.0 . . ?
N4 C39 H39 120.5 . . ?
N4 C39 C38 119(3) . . ?
C38 C39 H39 120.5 . . ?
C221 C220 H220 120.6 . . ?
C219 C220 C221 119(3) . . ?
C219 C220 H220 120.6 . . ?
C127 C132 H132 119.2 . . ?
C131 C132 H132 119.2 . . ?
C131 C132 C127 122(3) . . ?
C164 C163 H163 121.7 . . ?
C164 C163 C162 117(3) . . ?
C162 C163 H163 121.7 . . ?
C124 C125 C127 123(3) . . ?
C124 C125 C126 120(3) . . ?
C126 C125 C127 117(3) . . ?
N22 C202 C209 116(2) . . ?
N22 C202 H202 104.7 . . ?
N22 C202 C203 122(2) . . ?
C209 C202 H202 104.7 . . ?
C203 C202 C209 103(2) . . ?
C203 C202 H202 104.7 . . ?
C222 N19 Dy4 123(2) . . ?
C222 N19 C181 117(2) . . ?
C181 N19 Dy4 120.0(16) . . ?
C336 C331 B4 114(3) . . ?
C332 C331 C336 120(3) . . ?
C332 C331 B4 125(3) . . ?
C35 C36 H36 124.0 . . ?
C37 C36 C35 112(3) . . ?
C37 C36 H36 124.0 . . ?
C18 C13 C5 113(3) . . ?
C14 C13 C18 119(3) . . ?
C14 C13 C5 128(3) . . ?
C86 C85 H85 123.6 . . ?
C86 C85 C84 113(3) . . ?
C84 C85 H85 123.6 . . ?
C154 C159 H159 116.6 . . ?
C154 C159 C158 127(3) . . ?
C158 C159 H159 116.6 . . ?
C284 C283 B2 117(2) . . ?
C288 C283 C284 113(3) . . ?
C288 C283 B2 130(3) . . ?
C334 C333 H333 122.3 . . ?
C334 C333 C332 115(3) . . ?
C332 C333 H333 122.3 . . ?
C323 C322 H322 120.0 . . ?
C323 C322 C321 120.0 . . ?
C321 C322 H322 120.0 . . ?
C322 C323 H323 120.0 . . ?
C322 C323 C324 120.0 . . ?
C324 C323 H323 120.0 . . ?
C323 C324 H324 120.0 . . ?
C319 C324 C323 120.0 . . ?
C319 C324 H324 120.0 . . ?
C324 C319 C320 120.0 . . ?
C324 C319 B4 119.4(18) . . ?
C320 C319 B4 119.7(19) . . ?
C319 C320 H320 120.0 . . ?
C321 C320 C319 120.0 . . ?
C321 C320 H320 120.0 . . ?
C322 C321 H321 120.0 . . ?
C320 C321 C322 120.0 . . ?
C320 C321 H321 120.0 . . ?
N3 C47 C40 115(2) . . ?
N3 C47 H47 107.3 . . ?
N3 C47 C48 112(2) . . ?
C40 C47 H47 107.3 . . ?
C40 C47 C48 107(2) . . ?
C48 C47 H47 107.3 . . ?
C132 C127 C125 117(3) . . ?
C128 C127 C132 115(3) . . ?
C128 C127 C125 128(3) . . ?
C100 C101 H101 120.0 . . ?
C100 C101 C96 120.0 . . ?
C96 C101 H101 120.0 . . ?
C101 C100 H100 120.0 . . ?
C101 C100 C99 120.0 . . ?
C99 C100 H100 120.0 . . ?
C100 C99 H99 120.0 . . ?
C98 C99 C100 120.0 . . ?
C98 C99 H99 120.0 . . ?
C99 C98 H98 120.0 . . ?
C97 C98 C99 120.0 . . ?
C97 C98 H98 120.0 . . ?
C98 C97 H97 120.0 . . ?
C98 C97 C96 120.0 . . ?
C96 C97 H97 120.0 . . ?
C101 C96 C95 116.0(15) . . ?
C97 C96 C101 120.0 . . ?
C97 C96 C95 124.0(15) . . ?
C221 C222 H222 121.2 . . ?
N19 C222 C221 118(3) . . ?
N19 C222 H222 121.2 . . ?
N21 C196 C197 126(3) . . ?
N21 C196 C195 107(2) . . ?
C197 C196 C195 126(3) . . ?
C13 C18 H18 120.6 . . ?
C13 C18 C17 119(3) . . ?
C17 C18 H18 120.6 . . ?
C159 C154 C153 128(3) . . ?
C159 C154 C155 111(3) . . ?
C155 C154 C153 121(3) . . ?
C143 C142 H142 125.2 . . ?
C143 C142 C141 110(3) . . ?
C141 C142 H142 125.2 . . ?
C127 C128 H128 114.9 . . ?
C127 C128 C129 130(3) . . ?
C129 C128 H128 114.9 . . ?
C217 C218 H218 121.7 . . ?
C219 C218 H218 121.7 . . ?
C219 C218 C217 117(3) . . ?
C82 C83 H83 122.3 . . ?
C82 C83 C84 115(3) . . ?
C84 C83 H83 122.3 . . ?
C283 C284 H284 119.7 . . ?
C285 C284 C283 121(3) . . ?
C285 C284 H284 119.7 . . ?
N13 C174 H174 107.7 . . ?
C167 C174 N13 106(2) . . ?
C167 C174 H174 107.7 . . ?
C167 C174 C175 117(2) . . ?
C175 C174 N13 110(2) . . ?
C175 C174 H174 107.7 . . ?
C333 C334 H334 121.7 . . ?
C335 C334 C333 117(3) . . ?
C335 C334 H334 121.7 . . ?
C301 C306 H306 122.1 . . ?
C305 C306 H306 122.1 . . ?
C305 C306 C301 116(3) . . ?
C159 C158 H158 121.3 . . ?
C159 C158 C157 117(3) . . ?
C157 C158 H158 121.3 . . ?
C287 C286 H286 123.3 . . ?
C287 C286 C285 113(3) . . ?
C285 C286 H286 123.3 . . ?
C147 C152 H152 120.1 . . ?
C147 C152 C151 120(3) . . ?
C151 C152 H152 120.1 . . ?
N1 C19 H19 107.7 . . ?
N1 C19 C20 111(2) . . ?
C26 C19 N1 110(2) . . ?
C26 C19 H19 107.7 . . ?
C26 C19 C20 112(2) . . ?
C20 C19 H19 107.7 . . ?
C59 C58 H58 121.4 . . ?
C59 C58 C57 117(3) . . ?
C57 C58 H58 121.4 . . ?
C147 C148 H148 121.9 . . ?
C147 C148 C149 116(3) . . ?
C149 C148 H148 121.9 . . ?
N15 C145 C144 122(3) . . ?
N15 C145 H145 119.1 . . ?
C144 C145 H145 119.1 . . ?
C286 C287 H287 118.5 . . ?
C288 C287 C286 123(3) . . ?
C288 C287 H287 118.5 . . ?
N24 C217 C218 121(2) . . ?
C216 C217 N24 117(2) . . ?
C216 C217 C218 122(3) . . ?
C123 C122 H122 116.4 . . ?
C123 C122 C121 127(3) . . ?
C121 C122 H122 116.4 . . ?
C36 C37 H37 121.3 . . ?
C36 C37 C38 117(3) . . ?
C38 C37 H37 121.3 . . ?
N20 C188 C189 112(2) . . ?
N20 C188 H188 108.0 . . ?
C189 C188 H188 108.0 . . ?
C181 C188 N20 112(2) . . ?
C181 C188 C189 108(2) . . ?
C181 C188 H188 108.0 . . ?
C103 C104 C109 122(2) . . ?
C105 C104 C103 117(2) . . ?
C105 C104 C109 121(2) . . ?
C107 C108 C103 116(3) . . ?
C107 C108 C115 128(3) . . ?
C115 C108 C103 116(3) . . ?
C85 C84 C83 117(3) . . ?
C85 C84 H84 121.7 . . ?
C83 C84 H84 121.7 . . ?
C336 C335 H335 116.5 . . ?
C334 C335 C336 127(3) . . ?
C334 C335 H335 116.5 . . ?
N2 C55 C54 118(3) . . ?
N2 C55 C56 126(3) . . ?
C54 C55 C56 115(3) . . ?
C204 C205 H205 120.0 . . ?
C204 C205 C206 120.0 . . ?
C206 C205 H205 120.0 . . ?
C205 C204 H204 120.0 . . ?
C203 C204 C205 120.0 . . ?
C203 C204 H204 120.0 . . ?
C204 C203 C202 122.0(17) . . ?
C204 C203 C208 120.0 . . ?
C208 C203 C202 117.9(17) . . ?
C203 C208 H208 120.0 . . ?
C207 C208 C203 120.0 . . ?
C207 C208 H208 120.0 . . ?
C208 C207 H207 120.0 . . ?
C208 C207 C206 120.0 . . ?
C206 C207 H207 120.0 . . ?
C205 C206 H206 120.0 . . ?
C207 C206 C205 120.0 . . ?
C207 C206 H206 120.0 . . ?
C331 C332 C333 129(3) . . ?
C331 C332 H332 115.7 . . ?
C333 C332 H332 115.7 . . ?
N20 C195 C196 126(3) . . ?
N20 C195 H195 116.8 . . ?
C196 C195 H195 116.8 . . ?
C275 C274 H274 120.0 . . ?
C275 C274 C273 120.0 . . ?
C273 C274 H274 120.0 . . ?
C274 C275 H275 120.0 . . ?
C274 C275 C276 120.0 . . ?
C276 C275 H275 120.0 . . ?
C275 C276 H276 120.0 . . ?
C275 C276 C271 120.0 . . ?
C271 C276 H276 120.0 . . ?
C276 C271 B2 121.4(17) . . ?
C272 C271 C276 120.0 . . ?
C272 C271 B2 117.9(17) . . ?
C271 C272 H272 120.0 . . ?
C273 C272 C271 120.0 . . ?
C273 C272 H272 120.0 . . ?
C274 C273 H273 120.0 . . ?
C272 C273 C274 120.0 . . ?
C272 C273 H273 120.0 . . ?
O4 C103 C104 116(2) . . ?
O4 C103 C108 125(2) . . ?
C104 C103 C108 119(2) . . ?
N9 C87 C86 114(3) . . ?
N9 C87 H87 123.0 . . ?
C86 C87 H87 123.0 . . ?
C189 C190 H190 121.5 . . ?
C189 C190 C191 117(3) . . ?
C191 C190 H190 121.5 . . ?
C104 C105 H105 116.9 . . ?
C104 C105 C106 126(3) . . ?
C106 C105 H105 116.9 . . ?
C154 C155 H155 113.3 . . ?
C154 C155 C156 133(3) . . ?
C156 C155 H155 113.3 . . ?
C316 C7 H7 120.0 . . ?
C316 C7 C317 120.0 . . ?
C317 C7 H7 120.0 . . ?
C7 C316 H316 120.0 . . ?
C318 C316 C7 120.0 . . ?
C318 C316 H316 120.0 . . ?
C316 C318 H318 120.0 . . ?
C314 C318 C316 120.0 . . ?
C314 C318 H318 120.0 . . ?
C318 C314 C315 120.0 . . ?
C318 C314 B4 118.3(18) . . ?
C315 C314 B4 121.7(18) . . ?
C314 C315 H315 120.0 . . ?
C314 C315 C317 120.0 . . ?
C317 C315 H315 120.0 . . ?
C7 C317 H317 120.0 . . ?
C315 C317 C7 120.0 . . ?
C315 C317 H317 120.0 . . ?
C122 C121 H121 122.7 . . ?
C126 C121 C122 115(3) . . ?
C126 C121 H121 122.7 . . ?
N6 C33 H33 119.0 . . ?
N6 C33 C34 122(3) . . ?
C34 C33 H33 119.0 . . ?
N13 C139 H139 118.3 . . ?
N13 C139 C140 123(2) . . ?
C140 C139 H139 118.3 . . ?
C308 C307 C312 120.0 . . ?
C308 C307 B3 119.4(18) . . ?
C312 C307 B3 119.8(17) . . ?
C307 C308 H308 120.0 . . ?
C309 C308 C307 120.0 . . ?
C309 C308 H308 120.0 . . ?
C308 C309 H309 120.0 . . ?
C310 C309 C308 120.0 . . ?
C310 C309 H309 120.0 . . ?
C309 C310 H310 120.0 . . ?
C309 C310 C311 120.0 . . ?
C311 C310 H310 120.0 . . ?
C310 C311 H311 120.0 . . ?
C312 C311 C310 120.0 . . ?
C312 C311 H311 120.0 . . ?
C307 C312 C311 120.0 . . ?
C307 C312 H312 120.0 . . ?
C311 C312 H312 120.0 . . ?
C180 C175 C174 122(3) . . ?
C180 C175 C176 115(3) . . ?
C176 C175 C174 122(3) . . ?
C62 C63 H63 129.0 . . ?
C64 C63 H63 129.0 . . ?
C64 C63 C62 102(2) . . ?
C284 C285 C286 123(3) . . ?
C284 C285 H285 118.7 . . ?
C286 C285 H285 118.7 . . ?
C197 C198 C199 123(3) . . ?
C197 C198 H198 118.4 . . ?
C199 C198 H198 118.4 . . ?
N15 C146 C147 109.2(19) . . ?
N15 C146 H146 109.1 . . ?
C147 C146 H146 109.1 . . ?
C153 C146 N15 112(2) . . ?
C153 C146 C147 109(2) . . ?
C153 C146 H146 109.1 . . ?
N16 C160 H160 116.1 . . ?
C161 C160 N16 128(3) . . ?
C161 C160 H160 116.1 . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
C14 C15 C16 118(4) . . ?
C55 C56 H56 122.6 . . ?
C57 C56 C55 115(3) . . ?
C57 C56 H56 122.6 . . ?
C18 C17 H17 121.8 . . ?
C18 C17 C16 116(3) . . ?
C16 C17 H17 121.8 . . ?
C295 C296 H296 120.0 . . ?
C295 C296 C297 120.0 . . ?
C297 C296 H296 120.0 . . ?
C296 C295 B3 114.0(19) . . ?
C300 C295 C296 120.0 . . ?
C300 C295 B3 125.9(18) . . ?
C295 C300 H300 120.0 . . ?
C295 C300 C299 120.0 . . ?
C299 C300 H300 120.0 . . ?
C300 C299 H299 120.0 . . ?
C300 C299 C298 120.0 . . ?
C298 C299 H299 120.0 . . ?
C299 C298 H298 120.0 . . ?
C297 C298 C299 120.0 . . ?
C297 C298 H298 120.0 . . ?
C296 C297 H297 120.0 . . ?
C298 C297 C296 120.0 . . ?
C298 C297 H297 120.0 . . ?
N1 C60 C59 121(3) . . ?
N1 C60 H60 119.3 . . ?
C59 C60 H60 119.3 . . ?
C175 C180 H180 121.5 . . ?
C175 C180 C179 117(3) . . ?
C179 C180 H180 121.5 . . ?
O5 C124 C123 123(3) . . ?
O5 C124 C125 117(3) . . ?
C123 C124 C125 119(3) . . ?
N5 C34 C35 119(3) . . ?
N5 C34 C33 116(3) . . ?
C35 C34 C33 125(3) . . ?
C306 C301 B3 129(3) . . ?
C302 C301 C306 112(3) . . ?
C302 C301 B3 120(3) . . ?
C58 C57 H57 119.3 . . ?
C56 C57 C58 121(3) . . ?
C56 C57 H57 119.3 . . ?
C283 C288 H288 116.8 . . ?
C287 C288 C283 126(3) . . ?
C287 C288 H288 116.8 . . ?
N18 C166 C165 114(2) . . ?
N18 C166 H166 123.2 . . ?
C165 C166 H166 123.2 . . ?
C170 C169 H169 120.0 . . ?
C170 C169 C168 120.0 . . ?
C168 C169 H169 120.0 . . ?
C169 C170 H170 120.0 . . ?
C169 C170 C171 120.0 . . ?
C171 C170 H170 120.0 . . ?
C170 C171 H171 120.0 . . ?
C172 C171 C170 120.0 . . ?
C172 C171 H171 120.0 . . ?
C171 C172 H172 120.0 . . ?
C171 C172 C173 120.0 . . ?
C173 C172 H172 120.0 . . ?
C172 C173 H173 120.0 . . ?
C168 C173 C172 120.0 . . ?
C168 C173 H173 120.0 . . ?
C169 C168 C167 121.0(14) . . ?
C173 C168 C167 119.0(15) . . ?
C173 C168 C169 120.0 . . ?
C6 C1 H1 120.0 . . ?
C6 C1 C2 120.0 . . ?
C2 C1 H1 120.0 . . ?
C1 C6 H6 120.0 . . ?
C1 C6 C5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 C13 118.2(16) . . ?
C6 C5 C4 120.0 . . ?
C4 C5 C13 121.7(16) . . ?
O1 C4 C5 124.2(16) . . ?
O1 C4 C3 115.4(16) . . ?
C3 C4 C5 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 C8 127.4(16) . . ?
C2 C3 C8 112.1(15) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C105 C106 H106 122.7 . . ?
C105 C106 C107 115(3) . . ?
C107 C106 H106 122.7 . . ?
C125 C126 H126 120.9 . . ?
C121 C126 C125 118(3) . . ?
C121 C126 H126 120.9 . . ?
C61 C62 C63 131(3) . . ?
C61 C62 H62 114.4 . . ?
C63 C62 H62 114.4 . . ?
N14 C140 C139 113(2) . . ?
C141 C140 N14 123(2) . . ?
C141 C140 C139 125(2) . . ?
C212 C213 H213 120.0 . . ?
C212 C213 C214 120.0 . . ?
C214 C213 H213 120.0 . . ?
C213 C212 H212 120.0 . . ?
C213 C212 C211 120.0 . . ?
C211 C212 H212 120.0 . . ?
C212 C211 H211 120.0 . . ?
C210 C211 C212 120.0 . . ?
C210 C211 H211 120.0 . . ?
C211 C210 C209 117.5(17) . . ?
C211 C210 C215 120.0 . . ?
C215 C210 C209 122.3(17) . . ?
C210 C215 H215 120.0 . . ?
C214 C215 C210 120.0 . . ?
C214 C215 H215 120.0 . . ?
C213 C214 H214 120.0 . . ?
C215 C214 C213 120.0 . . ?
C215 C214 H214 120.0 . . ?
C226 C225 C224 120.0 . . ?
C226 C225 C229 123.0(13) . . ?
C224 C225 C229 116.8(13) . . ?
O8 C226 C225 124.0(14) . . ?
O8 C226 C227 115.8(14) . . ?
C225 C226 C227 120.0 . . ?
C226 C227 C235 124.5(13) . . ?
C228 C227 C226 120.0 . . ?
C228 C227 C235 115.2(13) . . ?
C227 C228 H228 120.0 . . ?
C227 C228 C223 120.0 . . ?
C223 C228 H228 120.0 . . ?
C228 C223 H223 120.0 . . ?
C228 C223 C224 120.0 . . ?
C224 C223 H223 120.0 . . ?
C225 C224 H224 120.0 . . ?
C223 C224 C225 120.0 . . ?
C223 C224 H224 120.0 . . ?
C108 C107 C106 127(3) . . ?
C108 C107 H107 116.6 . . ?
C106 C107 H107 116.6 . . ?
N8 C95 C96 115(2) . . ?
N8 C95 H95 105.9 . . ?
N8 C95 C88 110(2) . . ?
C96 C95 H95 105.9 . . ?
C96 C95 C88 113(2) . . ?
C88 C95 H95 105.9 . . ?
C282 C277 C278 120.0 . . ?
C282 C277 B2 118.2(17) . . ?
C278 C277 B2 121.4(17) . . ?
C277 C282 H282 120.0 . . ?
C281 C282 C277 120.0 . . ?
C281 C282 H282 120.0 . . ?
C282 C281 H281 120.0 . . ?
C280 C281 C282 120.0 . . ?
C280 C281 H281 120.0 . . ?
C281 C280 H280 120.0 . . ?
C281 C280 C279 120.0 . . ?
C279 C280 H280 120.0 . . ?
C280 C279 H279 120.0 . . ?
C280 C279 C278 120.0 . . ?
C278 C279 H279 120.0 . . ?
C277 C278 H278 120.0 . . ?
C279 C278 C277 120.0 . . ?
C279 C278 H278 120.0 . . ?
C15 C16 C17 121(3) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C306 C305 H305 114.4 . . ?
C304 C305 C306 131(3) . . ?
C304 C305 H305 114.4 . . ?
C132 C131 H131 122.5 . . ?
C132 C131 C130 115(3) . . ?
C130 C131 H131 122.5 . . ?
C240 C239 H239 120.0 . . ?
C240 C239 C238 120.0 . . ?
C238 C239 H239 120.0 . . ?
C239 C240 H240 120.0 . . ?
C239 C240 C235 120.0 . . ?
C235 C240 H240 120.0 . . ?
C240 C235 C227 119.1(13) . . ?
C240 C235 C236 120.0 . . ?
C236 C235 C227 120.9(13) . . ?
C235 C236 H236 120.0 . . ?
C237 C236 C235 120.0 . . ?
C237 C236 H236 120.0 . . ?
C236 C237 H237 120.0 . . ?
C238 C237 C236 120.0 . . ?
C238 C237 H237 120.0 . . ?
C239 C238 H238 120.0 . . ?
C237 C238 C239 120.0 . . ?
C237 C238 H238 120.0 . . ?
C189 C194 H194 122.4 . . ?
C189 C194 C193 115(3) . . ?
C193 C194 H194 122.4 . . ?
N19 C181 H181 106.1 . . ?
C188 C181 N19 111(2) . . ?
C188 C181 H181 106.1 . . ?
C188 C181 C182 110(2) . . ?
C182 C181 N19 116(2) . . ?
C182 C181 H181 106.1 . . ?
C307 B3 C289 108(2) . . ?
C307 B3 C295 121(3) . . ?
C307 B3 C301 115(2) . . ?
C295 B3 C289 100(2) . . ?
C301 B3 C289 103(2) . . ?
C301 B3 C295 108(3) . . ?
C177 C178 H178 119.6 . . ?
C179 C178 H178 119.6 . . ?
C179 C178 C177 121(3) . . ?
C220 C219 C218 124(3) . . ?
C220 C219 H219 118.2 . . ?
C218 C219 H219 118.2 . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C20 120.0 . . ?
C20 C25 H25 120.0 . . ?
C25 C20 C19 118.7(15) . . ?
C21 C20 C19 121.3(15) . . ?
C21 C20 C25 120.0 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
N23 C216 C217 119(3) . . ?
N23 C216 H216 120.7 . . ?
C217 C216 H216 120.7 . . ?
C270 C265 C266 120.0 . . ?
C270 C265 B2 115.7(16) . . ?
C266 C265 B2 124.3(16) . . ?
C265 C270 H270 120.0 . . ?
C265 C270 C269 120.0 . . ?
C269 C270 H270 120.0 . . ?
C270 C269 H269 120.0 . . ?
C268 C269 C270 120.0 . . ?
C268 C269 H269 120.0 . . ?
C269 C268 H268 120.0 . . ?
C269 C268 C267 120.0 . . ?
C267 C268 H268 120.0 . . ?
C268 C267 H267 120.0 . . ?
C268 C267 C266 120.0 . . ?
C266 C267 H267 120.0 . . ?
C265 C266 H266 120.0 . . ?
C267 C266 C265 120.0 . . ?
C267 C266 H266 120.0 . . ?
C152 C151 H151 121.3 . . ?
C150 C151 C152 117(3) . . ?
C150 C151 H151 121.3 . . ?
C65 C64 C63 127(3) . . ?
C65 C64 H64 116.7 . . ?
C63 C64 H64 116.7 . . ?
C148 C149 H149 121.4 . . ?
C150 C149 C148 117(3) . . ?
C150 C149 H149 121.4 . . ?
C161 C162 C163 120(3) . . ?
C161 C162 H162 119.9 . . ?
C163 C162 H162 119.9 . . ?
N9 C88 C95 106(2) . . ?
N9 C88 H88 105.4 . . ?
N9 C88 C89 123(2) . . ?
C95 C88 H88 105.4 . . ?
C89 C88 C95 111(2) . . ?
C89 C88 H88 105.4 . . ?
C72 C71 H71 120.0 . . ?
C72 C71 C70 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C72 H72 120.0 . . ?
C73 C72 C71 120.0 . . ?
C73 C72 H72 120.0 . . ?
C72 C73 H73 120.0 . . ?
C72 C73 C68 120.0 . . ?
C68 C73 H73 120.0 . . ?
C73 C68 C67 123.5(16) . . ?
C69 C68 C67 116.2(16) . . ?
C69 C68 C73 120.0 . . ?
C68 C69 H69 120.0 . . ?
C68 C69 C70 120.0 . . ?
C70 C69 H69 120.0 . . ?
C71 C70 C69 120.0 . . ?
C71 C70 H70 120.0 . . ?
C69 C70 H70 120.0 . . ?
C158 C157 H157 119.5 . . ?
C158 C157 C156 121(3) . . ?
C156 C157 H157 119.5 . . ?
C136 C135 H135 120.0 . . ?
C136 C135 C134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C135 C136 H136 120.0 . . ?
C137 C136 C135 120.0 . . ?
C137 C136 H136 120.0 . . ?
C136 C137 H137 120.0 . . ?
C138 C137 C136 120.0 . . ?
C138 C137 H137 120.0 . . ?
C137 C138 H138 120.0 . . ?
C137 C138 C133 120.0 . . ?
C133 C138 H138 120.0 . . ?
C138 C133 C123 116.8(17) . . ?
C138 C133 C134 120.0 . . ?
C134 C133 C123 123.1(16) . . ?
C135 C134 H134 120.0 . . ?
C133 C134 C135 120.0 . . ?
C133 C134 H134 120.0 . . ?
C301 C302 H302 119.3 . . ?
C303 C302 C301 121(3) . . ?
C303 C302 H302 119.3 . . ?
C151 C150 H150 117.5 . . ?
C149 C150 C151 125(3) . . ?
C149 C150 H150 117.5 . . ?
C258 C257 H257 120.0 . . ?
C258 C257 C256 120.0 . . ?
C256 C257 H257 120.0 . . ?
C257 C258 H258 120.0 . . ?
C253 C258 C257 120.0 . . ?
C253 C258 H258 120.0 . . ?
C258 C253 B1 116(2) . . ?
C254 C253 C258 120.0 . . ?
C254 C253 B1 124(2) . . ?
C253 C254 H254 120.0 . . ?
C253 C254 C255 120.0 . . ?
C255 C254 H254 120.0 . . ?
C254 C255 H255 120.0 . . ?
C256 C255 C254 120.0 . . ?
C256 C255 H255 120.0 . . ?
C257 C256 H256 120.0 . . ?
C255 C256 C257 120.0 . . ?
C255 C256 H256 120.0 . . ?
C313 C12 H12 120.0 . . ?
C313 C12 C11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C313 H313 120.0 . . ?
C8 C313 C12 120.0 . . ?
C8 C313 H313 120.0 . . ?
C313 C8 C3 123.4(18) . . ?
C313 C8 C9 120.0 . . ?
C9 C8 C3 116.6(18) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C115 C116 H116 120.0 . . ?
C115 C116 C117 120.0 . . ?
C117 C116 H116 120.0 . . ?
C116 C115 C108 121.7(18) . . ?
C120 C115 C108 118.1(18) . . ?
C120 C115 C116 120.0 . . ?
C115 C120 H120 120.0 . . ?
C115 C120 C119 120.0 . . ?
C119 C120 H120 120.0 . . ?
C120 C119 H119 120.0 . . ?
C120 C119 C118 120.0 . . ?
C118 C119 H119 120.0 . . ?
C119 C118 H118 120.0 . . ?
C117 C118 C119 120.0 . . ?
C117 C118 H118 120.0 . . ?
C116 C117 H117 120.0 . . ?
C118 C117 C116 120.0 . . ?
C118 C117 H117 120.0 . . ?
C305 C304 H304 123.9 . . ?
C303 C304 C305 112(3) . . ?
C303 C304 H304 123.9 . . ?
C155 C156 H156 125.3 . . ?
C157 C156 C155 109(3) . . ?
C157 C156 H156 125.3 . . ?
C91 C92 H92 120.0 . . ?
C91 C92 C93 120.0 . . ?
C93 C92 H92 120.0 . . ?
C92 C91 H91 120.0 . . ?
C92 C91 C90 120.0 . . ?
C90 C91 H91 120.0 . . ?
C91 C90 H90 120.0 . . ?
C91 C90 C89 120.0 . . ?
C89 C90 H90 120.0 . . ?
C90 C89 C88 121.6(17) . . ?
C94 C89 C88 118.4(17) . . ?
C94 C89 C90 120.0 . . ?
C89 C94 H94 120.0 . . ?
C93 C94 C89 120.0 . . ?
C93 C94 H94 120.0 . . ?
C92 C93 H93 120.0 . . ?
C94 C93 C92 120.0 . . ?
C94 C93 H93 120.0 . . ?
C245 C246 H246 120.0 . . ?
C245 C246 C241 120.0 . . ?
C241 C246 H246 120.0 . . ?
C246 C245 H245 120.0 . . ?
C244 C245 C246 120.0 . . ?
C244 C245 H245 120.0 . . ?
C245 C244 H244 120.0 . . ?
C245 C244 C243 120.0 . . ?
C243 C244 H244 120.0 . . ?
C244 C243 H243 120.0 . . ?
C244 C243 C242 120.0 . . ?
C242 C243 H243 120.0 . . ?
C243 C242 H242 120.0 . . ?
C241 C242 C243 120.0 . . ?
C241 C242 H242 120.0 . . ?
C246 C241 B1 119.8(19) . . ?
C242 C241 C246 120.0 . . ?
C242 C241 B1 120.2(19) . . ?
C234 C229 C225 118.2(14) . . ?
C234 C229 C230 120.0 . . ?
C230 C229 C225 121.8(14) . . ?
C229 C234 H234 120.0 . . ?
C229 C234 C233 120.0 . . ?
C233 C234 H234 120.0 . . ?
C234 C233 H233 120.0 . . ?
C232 C233 C234 120.0 . . ?
C232 C233 H233 120.0 . . ?
C233 C232 H232 120.0 . . ?
C231 C232 C233 120.0 . . ?
C231 C232 H232 120.0 . . ?
C232 C231 H231 120.0 . . ?
C232 C231 C230 120.0 . . ?
C230 C231 H231 120.0 . . ?
C229 C230 H230 120.0 . . ?
C231 C230 C229 120.0 . . ?
C231 C230 H230 120.0 . . ?
N5 C38 C39 119(3) . . ?
N5 C38 C37 126(3) . . ?
C37 C38 C39 115(3) . . ?
C248 C249 H249 120.0 . . ?
C248 C249 C250 120.0 . . ?
C250 C249 H249 120.0 . . ?
C249 C248 H248 120.0 . . ?
C247 C248 C249 120.0 . . ?
C247 C248 H248 120.0 . . ?
C248 C247 C252 120.0 . . ?
C248 C247 B1 116(2) . . ?
C252 C247 B1 124(2) . . ?
C247 C252 H252 120.0 . . ?
C251 C252 C247 120.0 . . ?
C251 C252 H252 120.0 . . ?
C252 C251 H251 120.0 . . ?
C252 C251 C250 120.0 . . ?
C250 C251 H251 120.0 . . ?
C249 C250 H250 120.0 . . ?
C251 C250 C249 120.0 . . ?
C251 C250 H250 120.0 . . ?
C194 C193 H193 119.2 . . ?
C192 C193 C194 122(3) . . ?
C192 C193 H193 119.2 . . ?
C325 C330 H330 120.0 . . ?
C325 C330 C329 120.0 . . ?
C329 C330 H330 120.0 . . ?
C330 C325 C326 120.0 . . ?
C330 C325 B4 121.1(18) . . ?
C326 C325 B4 118.9(18) . . ?
C325 C326 H326 120.0 . . ?
C327 C326 C325 120.0 . . ?
C327 C326 H326 120.0 . . ?
C326 C327 H327 120.0 . . ?
C328 C327 C326 120.0 . . ?
C328 C327 H327 120.0 . . ?
C327 C328 H328 120.0 . . ?
C327 C328 C329 120.0 . . ?
C329 C328 H328 120.0 . . ?
C330 C329 H329 120.0 . . ?
C328 C329 C330 120.0 . . ?
C328 C329 H329 120.0 . . ?
C190 C191 H191 120.0 . . ?
C192 C191 C190 120(3) . . ?
C192 C191 H191 120.0 . . ?
C193 C192 H192 119.2 . . ?
C191 C192 C193 122(3) . . ?
C191 C192 H192 119.2 . . ?
C260 C261 H261 120.0 . . ?
C260 C261 C262 120.0 . . ?
C262 C261 H261 120.0 . . ?
C261 C260 H260 120.0 . . ?
C261 C260 C259 120.0 . . ?
C259 C260 H260 120.0 . . ?
C260 C259 B1 119.4(18) . . ?
C264 C259 C260 120.0 . . ?
C264 C259 B1 120.4(18) . . ?
C259 C264 H264 120.0 . . ?
C259 C264 C263 120.0 . . ?
C263 C264 H264 120.0 . . ?
C264 C263 H263 120.0 . . ?
C262 C263 C264 120.0 . . ?
C262 C263 H263 120.0 . . ?
C261 C262 H262 120.0 . . ?
C263 C262 C261 120.0 . . ?
C263 C262 H262 120.0 . . ?
C319 B4 C331 107(2) . . ?
C314 B4 C331 110(2) . . ?
C314 B4 C319 108(2) . . ?
C325 B4 C331 107(3) . . ?
C325 B4 C319 110(2) . . ?
C325 B4 C314 115(2) . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C51 H51 120.0 . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C50 H50 120.0 . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C49 H49 120.0 . . ?
C50 C49 C48 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C48 C47 120.4(17) . . ?
C53 C48 C47 119.2(17) . . ?
C53 C48 C49 120.0 . . ?
C52 C53 H53 120.0 . . ?
C48 C53 C52 120.0 . . ?
C48 C53 H53 120.0 . . ?
C283 B2 C265 102(2) . . ?
C271 B2 C283 108(2) . . ?
C271 B2 C265 106(2) . . ?
C277 B2 C283 114(2) . . ?
C277 B2 C271 114(2) . . ?
C277 B2 C265 111(2) . . ?
C178 C177 H177 119.8 . . ?
C176 C177 C178 120(4) . . ?
C176 C177 H177 119.8 . . ?
C253 B1 C259 107(2) . . ?
C241 B1 C253 114(3) . . ?
C241 B1 C247 110(3) . . ?
C241 B1 C259 110(2) . . ?
C247 B1 C253 109(2) . . ?
C247 B1 C259 107(3) . . ?
C187 C186 H186 120.0 . . ?
C187 C186 C185 120.0 . . ?
C185 C186 H186 120.0 . . ?
C186 C187 H187 120.0 . . ?
C186 C187 C182 120.0 . . ?
C182 C187 H187 120.0 . . ?
C187 C182 C181 115.2(19) . . ?
C183 C182 C181 124.8(19) . . ?
C183 C182 C187 120.0 . . ?
C182 C183 H183 120.0 . . ?
C184 C183 C182 120.0 . . ?
C184 C183 H183 120.0 . . ?
C183 C184 H184 120.0 . . ?
C183 C184 C185 120.0 . . ?
C185 C184 H184 120.0 . . ?
C186 C185 H185 120.0 . . ?
C184 C185 C186 120.0 . . ?
C184 C185 H185 120.0 . . ?
C30 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C27 C32 C31 120.0 . . ?
C27 C32 H32 120.0 . . ?
C32 C27 C26 121.7(18) . . ?
C32 C27 C28 120.0 . . ?
C28 C27 C26 118.3(18) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C13 C14 H14 116.9 . . ?
C15 C14 C13 126(4) . . ?
C15 C14 H14 116.9 . . ?
C113 C112 H112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C111 C112 H112 120.0 . . ?
C112 C113 H113 120.0 . . ?
C114 C113 C112 120.0 . . ?
C114 C113 H113 120.0 . . ?
C113 C114 H114 120.0 . . ?
C113 C114 C109 120.0 . . ?
C109 C114 H114 120.0 . . ?
C114 C109 C104 116.7(16) . . ?
C110 C109 C104 122.8(16) . . ?
C110 C109 C114 120.0 . . ?
C109 C110 H110 120.0 . . ?
C109 C110 C111 120.0 . . ?
C111 C110 H110 120.0 . . ?
C112 C111 H111 120.0 . . ?
C110 C111 C112 120.0 . . ?
C110 C111 H111 120.0 . . ?
C128 C129 H129 124.5 . . ?
C130 C129 C128 111(3) . . ?
C130 C129 H129 124.5 . . ?
C131 C130 H130 118.6 . . ?
C129 C130 C131 123(3) . . ?
C129 C130 H130 118.6 . . ?
C142 C141 H141 120.7 . . ?
C140 C141 C142 119(3) . . ?
C140 C141 H141 120.7 . . ?
C175 C176 H176 117.8 . . ?
C177 C176 C175 124(3) . . ?
C177 C176 H176 117.8 . . ?
C302 C303 H303 116.2 . . ?
C304 C303 C302 128(3) . . ?
C304 C303 H303 116.2 . . ?
C180 C179 H179 120.1 . . ?
C178 C179 C180 120(3) . . ?
C178 C179 H179 120.1 . . ?

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
Dy3 O5 C124 C123 -90(3) . . . . ?
Dy3 O5 C124 C125 94(3) . . . . ?
Dy3 N14 C144 C143 -167(2) . . . . ?
Dy3 N14 C144 C145 19(4) . . . . ?
Dy3 N14 C140 C139 -14(3) . . . . ?
Dy3 N14 C140 C141 163(2) . . . . ?
Dy3 O6 O7 Dy4 179.3(8) . . . . ?
Dy3 N15 C145 C144 -13(4) . . . . ?
Dy3 N15 C146 C147 152.7(15) . . . . ?
Dy3 N15 C146 C153 32(2) . . . . ?
Dy3 N17 C165 C164 -163.1(19) . . . . ?
Dy3 N17 C165 C166 15(3) . . . . ?
Dy3 N17 C161 C160 -16(3) . . . . ?
Dy3 N17 C161 C162 158(2) . . . . ?
Dy3 N13 C174 C167 54(3) . . . . ?
Dy3 N13 C174 C175 -178.4(18) . . . . ?
Dy3 N13 C139 C140 1(4) . . . . ?
Dy3 N16 C153 C154 174.5(19) . . . . ?
Dy3 N16 C153 C146 53(2) . . . . ?
Dy3 N16 C160 C161 -4(4) . . . . ?
Dy3 N18 C167 C174 27(3) . . . . ?
Dy3 N18 C167 C168 150.8(15) . . . . ?
Dy3 N18 C166 C165 -14(3) . . . . ?
Dy4 O8 C226 C225 78(3) . . . . ?
Dy4 O8 C226 C227 -97(3) . . . . ?
Dy4 N21 C200 C201 -13(3) . . . . ?
Dy4 N21 C200 C199 171(2) . . . . ?
Dy4 N21 C196 C197 -173(2) . . . . ?
Dy4 N21 C196 C195 12(3) . . . . ?
Dy4 O6 O7 Dy3 -179.3(8) . . . . ?
Dy4 N20 C188 C189 136.4(19) . . . . ?
Dy4 N20 C188 C181 14(3) . . . . ?
Dy4 N20 C195 C196 -3(4) . . . . ?
Dy4 N22 C201 C200 15(4) . . . . ?
Dy4 N22 C202 C209 33(3) . . . . ?
Dy4 N22 C202 C203 160.5(17) . . . . ?
Dy4 N24 C221 C220 170(2) . . . . ?
Dy4 N24 C221 C222 -25(4) . . . . ?
Dy4 N24 C217 C218 -169(2) . . . . ?
Dy4 N24 C217 C216 5(3) . . . . ?
Dy4 N23 C209 C202 17(3) . . . . ?
Dy4 N23 C209 C210 140.0(18) . . . . ?
Dy4 N23 C216 C217 -6(4) . . . . ?
Dy4 N19 C222 C221 10(4) . . . . ?
Dy4 N19 C181 C188 39(3) . . . . ?
Dy4 N19 C181 C182 166.4(17) . . . . ?
Dy2 N7 C65 C66 -18(3) . . . . ?
Dy2 N7 C65 C64 172(2) . . . . ?
Dy2 N7 C61 C102 15(3) . . . . ?
Dy2 N7 C61 C62 -165(2) . . . . ?
Dy2 O4 C103 C104 -92(3) . . . . ?
Dy2 O4 C103 C108 81(4) . . . . ?
Dy2 N10 C86 C85 157(3) . . . . ?
Dy2 N10 C86 C87 -19(3) . . . . ?
Dy2 N10 C82 C81 22(3) . . . . ?
Dy2 N10 C82 C83 -160(2) . . . . ?
Dy2 N12 C67 C74 48(3) . . . . ?
Dy2 N12 C67 C68 -177.3(15) . . . . ?
Dy2 N12 C66 C65 6(3) . . . . ?
Dy2 O2 O3 Dy1 178.8(7) . . . . ?
Dy2 N11 C81 C82 -9(3) . . . . ?
Dy2 N11 C74 C67 25(3) . . . . ?
Dy2 N11 C74 C75 150.9(15) . . . . ?
Dy2 N8 C102 C61 -18(3) . . . . ?
Dy2 N8 C95 C96 154.5(15) . . . . ?
Dy2 N8 C95 C88 25(3) . . . . ?
Dy2 N9 C87 C86 5(4) . . . . ?
Dy2 N9 C88 C95 49(3) . . . . ?
Dy2 N9 C88 C89 177.1(17) . . . . ?
Dy1 N4 C40 C41 141.5(17) . . . . ?
Dy1 N4 C40 C47 26(3) . . . . ?
Dy1 N4 C39 C38 9(5) . . . . ?
Dy1 O1 C4 C5 -83(3) . . . . ?
Dy1 O1 C4 C3 90(3) . . . . ?
Dy1 O2 O3 Dy2 -178.8(7) . . . . ?
Dy1 N1 C19 C26 13(3) . . . . ?
Dy1 N1 C19 C20 138.1(16) . . . . ?
Dy1 N1 C60 C59 -9(4) . . . . ?
Dy1 N3 C54 C55 4(3) . . . . ?
Dy1 N3 C47 C40 42(3) . . . . ?
Dy1 N3 C47 C48 165.1(15) . . . . ?
Dy1 N2 C59 C58 -164(2) . . . . ?
Dy1 N2 C59 C60 4(3) . . . . ?
Dy1 N2 C55 C54 -23(3) . . . . ?
Dy1 N2 C55 C56 169.0(19) . . . . ?
Dy1 N6 C26 C19 41(3) . . . . ?
Dy1 N6 C26 C27 170.2(17) . . . . ?
Dy1 N6 C33 C34 14(4) . . . . ?
Dy1 N5 C34 C35 168(2) . . . . ?
Dy1 N5 C34 C33 -14(3) . . . . ?
Dy1 N5 C38 C39 13(4) . . . . ?
Dy1 N5 C38 C37 -173(3) . . . . ?
O8 C226 C227 C228 175.3(17) . . . . ?
O8 C226 C227 C235 -11(2) . . . . ?
N7 C65 C66 N12 8(3) . . . . ?
N7 C65 C64 C63 -8(5) . . . . ?
N7 C61 C102 N8 3(4) . . . . ?
N7 C61 C62 C63 -7(5) . . . . ?
N4 C40 C41 C42 -46(3) . . . . ?
N4 C40 C41 C46 129(2) . . . . ?
N4 C40 C47 N3 -41(3) . . . . ?
N4 C40 C47 C48 -166(2) . . . . ?
N4 C39 C38 N5 -15(6) . . . . ?
N4 C39 C38 C37 171(3) . . . . ?
O1 C4 C3 C2 -173(2) . . . . ?
O1 C4 C3 C8 16(2) . . . . ?
N21 C196 C195 N20 -5(4) . . . . ?
N10 C86 C85 C84 14(5) . . . . ?
N10 C86 C87 N9 9(4) . . . . ?
N10 C82 C83 C84 -11(5) . . . . ?
N14 C144 C145 N15 -4(5) . . . . ?
N14 C140 C141 C142 8(4) . . . . ?
N12 C67 C74 N11 -44(3) . . . . ?
N12 C67 C74 C75 -167(2) . . . . ?
N12 C67 C68 C73 98(2) . . . . ?
N12 C67 C68 C69 -76(2) . . . . ?
N20 C188 C181 N19 -33(3) . . . . ?
N20 C188 C181 C182 -163(2) . . . . ?
N17 C165 C164 C163 -11(4) . . . . ?
N17 C165 C166 N18 -1(4) . . . . ?
N17 C161 C160 N16 13(4) . . . . ?
N17 C161 C162 C163 21(5) . . . . ?
N11 C81 C82 N10 -8(4) . . . . ?
N11 C81 C82 C83 173(3) . . . . ?
N22 C201 C200 N21 -1(4) . . . . ?
N22 C201 C200 C199 175(3) . . . . ?
N22 C202 C203 C204 -63(3) . . . . ?
N22 C202 C203 C208 118(2) . . . . ?
N8 C95 C88 N9 -44(3) . . . . ?
N8 C95 C88 C89 -179(2) . . . . ?
N1 C19 C20 C25 125.9(18) . . . . ?
N1 C19 C20 C21 -57(3) . . . . ?
N24 C221 C220 C219 1(5) . . . . ?
N24 C221 C222 N19 9(4) . . . . ?
N24 C217 C216 N23 1(4) . . . . ?
N3 C54 C55 N2 13(4) . . . . ?
N3 C54 C55 C56 -178(2) . . . . ?
N3 C47 C48 C49 109(2) . . . . ?
N3 C47 C48 C53 -77(2) . . . . ?
N13 C174 C175 C180 -76(3) . . . . ?
N13 C174 C175 C176 114(3) . . . . ?
N13 C139 C140 N14 9(4) . . . . ?
N13 C139 C140 C141 -168(3) . . . . ?
N23 C209 C202 N22 -30(3) . . . . ?
N23 C209 C202 C203 -165(2) . . . . ?
N23 C209 C210 C211 121.0(19) . . . . ?
N23 C209 C210 C215 -63(3) . . . . ?
N2 C59 C58 C57 -6(5) . . . . ?
N2 C59 C60 N1 3(4) . . . . ?
N2 C55 C56 C57 -3(4) . . . . ?
N16 C153 C154 C159 -52(4) . . . . ?
N16 C153 C154 C155 120(3) . . . . ?
N16 C153 C146 N15 -51(3) . . . . ?
N16 C153 C146 C147 -172(2) . . . . ?
N9 C88 C89 C90 -61(3) . . . . ?
N9 C88 C89 C94 118(3) . . . . ?
C86 N10 C82 C81 -172(2) . . . . ?
C86 N10 C82 C83 6(4) . . . . ?
C86 C85 C84 C83 -16(5) . . . . ?
N6 C26 C19 N1 -32(3) . . . . ?
N6 C26 C19 C20 -157(2) . . . . ?
N6 C26 C27 C32 -67(3) . . . . ?
N6 C26 C27 C28 111(2) . . . . ?
N6 C33 C34 N5 0(4) . . . . ?
N6 C33 C34 C35 177(3) . . . . ?
C143 C144 C145 N15 -177(3) . . . . ?
C143 C142 C141 C140 -6(4) . . . . ?
N18 C167 C174 N13 -47(3) . . . . ?
N18 C167 C174 C175 -170(2) . . . . ?
N18 C167 C168 C169 -68(2) . . . . ?
N18 C167 C168 C173 111(2) . . . . ?
C81 N11 C74 C67 -162(2) . . . . ?
C81 N11 C74 C75 -36(3) . . . . ?
C81 C82 C83 C84 168(3) . . . . ?
C209 N23 C216 C217 -176(3) . . . . ?
C209 C202 C203 C204 69(2) . . . . ?
C209 C202 C203 C208 -110(2) . . . . ?
C209 C210 C215 C214 -175(2) . . . . ?
C165 N17 C161 C160 171(2) . . . . ?
C165 N17 C161 C162 -15(4) . . . . ?
C165 C164 C163 C162 16(5) . . . . ?
C147 C152 C151 C150 8(4) . . . . ?
C147 C148 C149 C150 -6(5) . . . . ?
C67 N12 C66 C65 180(2) . . . . ?
C67 C68 C69 C70 174.5(19) . . . . ?
C35 C36 C37 C38 -16(5) . . . . ?
C65 N7 C61 C102 -177(2) . . . . ?
C65 N7 C61 C62 4(4) . . . . ?
C54 N3 C47 C40 -142(3) . . . . ?
C54 N3 C47 C48 -19(3) . . . . ?
C54 C55 C56 C57 -172(3) . . . . ?
C75 C80 C79 C78 0.0 . . . . ?
C80 C75 C76 C77 0.0 . . . . ?
C80 C75 C74 N11 113(2) . . . . ?
C80 C75 C74 C67 -126(2) . . . . ?
C80 C79 C78 C77 0.0 . . . . ?
C79 C78 C77 C76 0.0 . . . . ?
C78 C77 C76 C75 0.0 . . . . ?
C76 C75 C80 C79 0.0 . . . . ?
C76 C75 C74 N11 -70(2) . . . . ?
C76 C75 C74 C67 51(3) . . . . ?
C123 C122 C121 C126 17(5) . . . . ?
C123 C133 C134 C135 179(2) . . . . ?
C197 C196 C195 N20 180(3) . . . . ?
C201 N22 C202 C209 -142(3) . . . . ?
C201 N22 C202 C203 -15(4) . . . . ?
C161 N17 C165 C164 10(4) . . . . ?
C161 N17 C165 C166 -172(2) . . . . ?
C167 N18 C166 C165 175(2) . . . . ?
C167 C174 C175 C180 46(4) . . . . ?
C167 C174 C175 C176 -124(3) . . . . ?
C26 N6 C33 C34 -165(3) . . . . ?
C26 C19 C20 C25 -110(2) . . . . ?
C26 C19 C20 C21 67(3) . . . . ?
C26 C27 C28 C29 -177(2) . . . . ?
C153 N16 C160 C161 -176(3) . . . . ?
C153 C154 C155 C156 -174(3) . . . . ?
C82 N10 C86 C85 -8(4) . . . . ?
C82 N10 C86 C87 176(3) . . . . ?
C82 C83 C84 C85 15(5) . . . . ?
C221 N24 C217 C218 3(4) . . . . ?
C221 N24 C217 C216 177(3) . . . . ?
C221 C220 C219 C218 0(4) . . . . ?
C189 C188 C181 N19 -157(2) . . . . ?
C189 C188 C181 C182 72(3) . . . . ?
C189 C190 C191 C192 13(5) . . . . ?
C189 C194 C193 C192 1(5) . . . . ?
C336 C331 C332 C333 10(5) . . . . ?
C336 C331 B4 C319 79(3) . . . . ?
C336 C331 B4 C314 -38(3) . . . . ?
C336 C331 B4 C325 -164(2) . . . . ?
C40 N4 C39 C38 -164(3) . . . . ?
C40 C41 C42 C43 175(2) . . . . ?
C40 C41 C46 C45 -175(2) . . . . ?
C40 C47 C48 C49 -123(2) . . . . ?
C40 C47 C48 C53 50(2) . . . . ?
C164 C165 C166 N18 177(3) . . . . ?
C164 C163 C162 C161 -21(5) . . . . ?
C41 C40 C47 N3 -160(2) . . . . ?
C41 C40 C47 C48 74(3) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C41 C46 C45 0.0 . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
C61 N7 C65 C66 173(2) . . . . ?
C61 N7 C65 C64 3(4) . . . . ?
C200 N21 C196 C197 -2(4) . . . . ?
C200 N21 C196 C195 -177(2) . . . . ?
C200 C199 C198 C197 1(4) . . . . ?
C59 N2 C55 C54 165(2) . . . . ?
C59 N2 C55 C56 -3(4) . . . . ?
C59 C58 C57 C56 0(5) . . . . ?
C66 N12 C67 C74 -126(3) . . . . ?
C66 N12 C67 C68 9(4) . . . . ?
C66 C65 C64 C63 -177(3) . . . . ?
C74 N11 C81 C82 178(2) . . . . ?
C74 C67 C68 C73 -127(2) . . . . ?
C74 C67 C68 C69 58(3) . . . . ?
C74 C75 C80 C79 177.0(18) . . . . ?
C74 C75 C76 C77 -177.0(18) . . . . ?
C102 N8 C95 C96 -38(3) . . . . ?
C102 N8 C95 C88 -168(2) . . . . ?
C102 C61 C62 C63 174(3) . . . . ?
C144 N14 C140 C139 176(3) . . . . ?
C144 N14 C140 C141 -7(4) . . . . ?
C144 C143 C142 C141 3(5) . . . . ?
C291 C290 C289 C294 0.0 . . . . ?
C291 C290 C289 B3 179.3(18) . . . . ?
C290 C291 C292 C293 0.0 . . . . ?
C290 C289 C294 C293 0.0 . . . . ?
C290 C289 B3 C307 42(3) . . . . ?
C290 C289 B3 C295 169.1(15) . . . . ?
C290 C289 B3 C301 -80(2) . . . . ?
C289 C294 C293 C292 0.0 . . . . ?
C294 C289 B3 C307 -138.8(17) . . . . ?
C294 C289 B3 C295 -12(3) . . . . ?
C294 C289 B3 C301 99(2) . . . . ?
C294 C293 C292 C291 0.0 . . . . ?
C292 C291 C290 C289 0.0 . . . . ?
C39 N4 C40 C41 -47(4) . . . . ?
C39 N4 C40 C47 -163(3) . . . . ?
C220 C221 C222 N19 175(3) . . . . ?
C132 C127 C128 C129 1(5) . . . . ?
C132 C131 C130 C129 -26(5) . . . . ?
C125 C127 C128 C129 -175(3) . . . . ?
C202 N22 C201 C200 -169(2) . . . . ?
C202 C209 C210 C211 -121(2) . . . . ?
C202 C209 C210 C215 54(3) . . . . ?
C202 C203 C208 C207 178.8(18) . . . . ?
N19 C181 C182 C187 112(2) . . . . ?
N19 C181 C182 C183 -68(3) . . . . ?
C331 C336 C335 C334 -7(5) . . . . ?
C36 C35 C34 N5 1(5) . . . . ?
C36 C35 C34 C33 -177(3) . . . . ?
C36 C37 C38 N5 10(6) . . . . ?
C36 C37 C38 C39 -176(3) . . . . ?
C13 C18 C17 C16 -7(4) . . . . ?
C13 C5 C4 O1 -7(2) . . . . ?
C13 C5 C4 C3 -179(2) . . . . ?
C85 C86 C87 N9 -168(3) . . . . ?
C159 C154 C155 C156 -1(5) . . . . ?
C159 C158 C157 C156 -13(5) . . . . ?
C283 C284 C285 C286 -1(5) . . . . ?
C333 C334 C335 C336 10(5) . . . . ?
C322 C323 C324 C319 0.0 . . . . ?
C323 C322 C321 C320 0.0 . . . . ?
C323 C324 C319 C320 0.0 . . . . ?
C323 C324 C319 B4 -169(2) . . . . ?
C324 C319 C320 C321 0.0 . . . . ?
C324 C319 B4 C331 -153.0(18) . . . . ?
C324 C319 B4 C314 -35(3) . . . . ?
C324 C319 B4 C325 91(3) . . . . ?
C319 C320 C321 C322 0.0 . . . . ?
C320 C319 B4 C331 38(3) . . . . ?
C320 C319 B4 C314 156.3(15) . . . . ?
C320 C319 B4 C325 -78(3) . . . . ?
C321 C322 C323 C324 0.0 . . . . ?
C47 N3 C54 C55 -172(2) . . . . ?
C47 C40 C41 C42 68(2) . . . . ?
C47 C40 C41 C46 -117(2) . . . . ?
C47 C48 C53 C52 -173(2) . . . . ?
C127 C132 C131 C130 17(5) . . . . ?
C127 C125 C124 O5 10(4) . . . . ?
C127 C125 C124 C123 -166(3) . . . . ?
C127 C125 C126 C121 172(3) . . . . ?
C127 C128 C129 C130 -8(5) . . . . ?
C101 C100 C99 C98 0.0 . . . . ?
C101 C96 C95 N8 -69(2) . . . . ?
C101 C96 C95 C88 59(2) . . . . ?
C100 C101 C96 C97 0.0 . . . . ?
C100 C101 C96 C95 178.8(19) . . . . ?
C100 C99 C98 C97 0.0 . . . . ?
C99 C98 C97 C96 0.0 . . . . ?
C98 C97 C96 C101 0.0 . . . . ?
C98 C97 C96 C95 -179(2) . . . . ?
C97 C96 C95 N8 110(2) . . . . ?
C97 C96 C95 C88 -122(2) . . . . ?
C96 C101 C100 C99 0.0 . . . . ?
C96 C95 C88 N9 -174(2) . . . . ?
C96 C95 C88 C89 51(3) . . . . ?
C222 C221 C220 C219 -163(3) . . . . ?
C222 N19 C181 C188 -138(3) . . . . ?
C222 N19 C181 C182 -11(4) . . . . ?
C196 N21 C200 C201 175(3) . . . . ?
C196 N21 C200 C199 -1(4) . . . . ?
C196 C197 C198 C199 -4(5) . . . . ?
C18 C13 C5 C6 123(2) . . . . ?
C18 C13 C5 C4 -58(3) . . . . ?
C18 C13 C14 C15 -7(5) . . . . ?
C18 C17 C16 C15 6(5) . . . . ?
C154 C153 C146 N15 179(2) . . . . ?
C154 C153 C146 C147 59(3) . . . . ?
C154 C159 C158 C157 4(4) . . . . ?
C154 C155 C156 C157 -7(5) . . . . ?
C142 C143 C144 N14 -1(5) . . . . ?
C142 C143 C144 C145 172(3) . . . . ?
C128 C129 C130 C131 21(5) . . . . ?
C218 C217 C216 N23 175(3) . . . . ?
C284 C283 C288 C287 -3(4) . . . . ?
C284 C283 B2 C271 169(2) . . . . ?
C284 C283 B2 C277 41(3) . . . . ?
C284 C283 B2 C265 -79(3) . . . . ?
C174 N13 C139 C140 -172(2) . . . . ?
C174 C167 C168 C169 55(2) . . . . ?
C174 C167 C168 C173 -126(2) . . . . ?
C174 C175 C180 C179 -179(3) . . . . ?
C174 C175 C176 C177 177(3) . . . . ?
C334 C333 C332 C331 -6(5) . . . . ?
C306 C301 B3 C289 20(4) . . . . ?
C306 C301 B3 C307 -97(4) . . . . ?
C306 C301 B3 C295 125(3) . . . . ?
C306 C301 C302 C303 1(4) . . . . ?
C306 C305 C304 C303 -6(5) . . . . ?
C158 C159 C154 C153 175(2) . . . . ?
C158 C159 C154 C155 3(4) . . . . ?
C158 C157 C156 C155 13(5) . . . . ?
C286 C287 C288 C283 11(5) . . . . ?
C152 C147 C148 C149 10(5) . . . . ?
C152 C147 C146 N15 107(3) . . . . ?
C152 C147 C146 C153 -131(3) . . . . ?
C152 C151 C150 C149 -4(5) . . . . ?
C19 N1 C60 C59 177(2) . . . . ?
C19 C26 C27 C32 65(3) . . . . ?
C19 C26 C27 C28 -117(2) . . . . ?
C19 C20 C21 C22 -177(2) . . . . ?
C58 C59 C60 N1 171(3) . . . . ?
C148 C147 C152 C151 -11(5) . . . . ?
C148 C147 C146 N15 -62(3) . . . . ?
C148 C147 C146 C153 59(3) . . . . ?
C148 C149 C150 C151 4(5) . . . . ?
C145 N15 C146 C147 -42(3) . . . . ?
C145 N15 C146 C153 -163(3) . . . . ?
C287 C286 C285 C284 8(5) . . . . ?
C217 N24 C221 C220 -2(4) . . . . ?
C217 N24 C221 C222 163(3) . . . . ?
C217 C218 C219 C220 1(4) . . . . ?
C122 C123 C124 O5 -176(3) . . . . ?
C122 C123 C124 C125 0(4) . . . . ?
C122 C123 C133 C138 114(3) . . . . ?
C122 C123 C133 C134 -65(3) . . . . ?
C122 C121 C126 C125 -11(4) . . . . ?
C188 N20 C195 C196 -180(3) . . . . ?
C188 C189 C190 C191 176(3) . . . . ?
C188 C189 C194 C193 178(3) . . . . ?
C188 C181 C182 C187 -121(2) . . . . ?
C188 C181 C182 C183 60(3) . . . . ?
C104 C105 C106 C107 -10(5) . . . . ?
C104 C109 C110 C111 172(2) . . . . ?
C108 C115 C120 C119 -174(2) . . . . ?
C335 C336 C331 C332 -3(4) . . . . ?
C335 C336 C331 B4 -172(3) . . . . ?
C55 N2 C59 C58 8(4) . . . . ?
C55 N2 C59 C60 177(3) . . . . ?
C55 C56 C57 C58 5(4) . . . . ?
C205 C204 C203 C202 -178.7(19) . . . . ?
C205 C204 C203 C208 0.0 . . . . ?
C204 C205 C206 C207 0.0 . . . . ?
C204 C203 C208 C207 0.0 . . . . ?
C203 C208 C207 C206 0.0 . . . . ?
C208 C207 C206 C205 0.0 . . . . ?
C206 C205 C204 C203 0.0 . . . . ?
C332 C331 B4 C319 -89(4) . . . . ?
C332 C331 B4 C314 154(3) . . . . ?
C332 C331 B4 C325 29(4) . . . . ?
C332 C333 C334 C335 -4(5) . . . . ?
C195 N20 C188 C189 -47(3) . . . . ?
C195 N20 C188 C181 -169(3) . . . . ?
C274 C275 C276 C271 0.0 . . . . ?
C275 C274 C273 C272 0.0 . . . . ?
C275 C276 C271 C272 0.0 . . . . ?
C275 C276 C271 B2 -170(2) . . . . ?
C276 C271 C272 C273 0.0 . . . . ?
C276 C271 B2 C283 73(2) . . . . ?
C276 C271 B2 C277 -158.4(17) . . . . ?
C276 C271 B2 C265 -36(3) . . . . ?
C271 C272 C273 C274 0.0 . . . . ?
C272 C271 B2 C283 -97(2) . . . . ?
C272 C271 B2 C277 32(3) . . . . ?
C272 C271 B2 C265 154.3(16) . . . . ?
C273 C274 C275 C276 0.0 . . . . ?
C103 C104 C105 C106 11(5) . . . . ?
C103 C104 C109 C114 -61(3) . . . . ?
C103 C104 C109 C110 127(2) . . . . ?
C103 C108 C107 C106 -3(5) . . . . ?
C103 C108 C115 C116 37(3) . . . . ?
C103 C108 C115 C120 -148.5(19) . . . . ?
C87 N9 C88 C95 -133(3) . . . . ?
C87 N9 C88 C89 -4(4) . . . . ?
C87 C86 C85 C84 -170(3) . . . . ?
C190 C189 C188 N20 121(3) . . . . ?
C190 C189 C188 C181 -115(3) . . . . ?
C190 C189 C194 C193 -2(4) . . . . ?
C190 C191 C192 C193 -15(5) . . . . ?
C105 C104 C103 O4 166(3) . . . . ?
C105 C104 C103 C108 -7(4) . . . . ?
C105 C104 C109 C114 121(3) . . . . ?
C105 C104 C109 C110 -51(3) . . . . ?
C105 C106 C107 C108 5(5) . . . . ?
C7 C316 C318 C314 0.0 . . . . ?
C316 C7 C317 C315 0.0 . . . . ?
C316 C318 C314 C315 0.0 . . . . ?
C316 C318 C314 B4 -179(2) . . . . ?
C318 C314 C315 C317 0.0 . . . . ?
C318 C314 B4 C331 -98(2) . . . . ?
C318 C314 B4 C319 145.5(17) . . . . ?
C318 C314 B4 C325 23(3) . . . . ?
C314 C315 C317 C7 0.0 . . . . ?
C315 C314 B4 C331 83(3) . . . . ?
C315 C314 B4 C319 -33(3) . . . . ?
C315 C314 B4 C325 -156.0(18) . . . . ?
C317 C7 C316 C318 0.0 . . . . ?
C33 N6 C26 C19 -140(3) . . . . ?
C33 N6 C26 C27 -10(4) . . . . ?
C139 N13 C174 C167 -133(3) . . . . ?
C139 N13 C174 C175 -5(4) . . . . ?
C139 C140 C141 C142 -175(3) . . . . ?
C307 C308 C309 C310 0.0 . . . . ?
C308 C307 C312 C311 0.0 . . . . ?
C308 C307 B3 C289 -146.7(14) . . . . ?
C308 C307 B3 C295 99(3) . . . . ?
C308 C307 B3 C301 -33(3) . . . . ?
C308 C309 C310 C311 0.0 . . . . ?
C309 C310 C311 C312 0.0 . . . . ?
C310 C311 C312 C307 0.0 . . . . ?
C312 C307 C308 C309 0.0 . . . . ?
C312 C307 B3 C289 44(3) . . . . ?
C312 C307 B3 C295 -70(3) . . . . ?
C312 C307 B3 C301 158(2) . . . . ?
C175 C180 C179 C178 -2(4) . . . . ?
C285 C286 C287 C288 -12(5) . . . . ?
C198 C197 C196 N21 5(5) . . . . ?
C198 C197 C196 C195 179(3) . . . . ?
C198 C199 C200 N21 2(4) . . . . ?
C198 C199 C200 C201 -175(3) . . . . ?
C146 N15 C145 C144 -178(3) . . . . ?
C146 C147 C152 C151 -180(3) . . . . ?
C146 C147 C148 C149 179(3) . . . . ?
C146 C153 C154 C159 66(3) . . . . ?
C146 C153 C154 C155 -122(3) . . . . ?
C160 N16 C153 C154 -15(4) . . . . ?
C160 N16 C153 C146 -136(3) . . . . ?
C160 C161 C162 C163 -166(3) . . . . ?
C296 C295 C300 C299 0.0 . . . . ?
C296 C295 B3 C289 -101.5(18) . . . . ?
C296 C295 B3 C307 17(3) . . . . ?
C296 C295 B3 C301 151.8(19) . . . . ?
C295 C296 C297 C298 0.0 . . . . ?
C295 C300 C299 C298 0.0 . . . . ?
C300 C295 B3 C289 82(2) . . . . ?
C300 C295 B3 C307 -159.7(19) . . . . ?
C300 C295 B3 C301 -24(3) . . . . ?
C300 C299 C298 C297 0.0 . . . . ?
C299 C298 C297 C296 0.0 . . . . ?
C297 C296 C295 C300 0.0 . . . . ?
C297 C296 C295 B3 -177(2) . . . . ?
C60 N1 C19 C26 -172(2) . . . . ?
C60 N1 C19 C20 -47(3) . . . . ?
C60 C59 C58 C57 -175(3) . . . . ?
C180 C175 C176 C177 7(5) . . . . ?
C124 C123 C122 C121 -11(5) . . . . ?
C124 C123 C133 C138 -56(3) . . . . ?
C124 C123 C133 C134 125(2) . . . . ?
C124 C125 C127 C132 -142(3) . . . . ?
C124 C125 C127 C128 33(5) . . . . ?
C124 C125 C126 C121 2(4) . . . . ?
C34 N5 C38 C39 -170(3) . . . . ?
C34 N5 C38 C37 3(5) . . . . ?
C34 C35 C36 C37 11(5) . . . . ?
C301 C306 C305 C304 8(5) . . . . ?
C301 C302 C303 C304 1(6) . . . . ?
C288 C283 C284 C285 -2(4) . . . . ?
C288 C283 B2 C271 -6(4) . . . . ?
C288 C283 B2 C277 -135(3) . . . . ?
C288 C283 B2 C265 105(3) . . . . ?
C166 N18 C167 C174 -163(2) . . . . ?
C166 N18 C167 C168 -38(3) . . . . ?
C166 C165 C164 C163 171(3) . . . . ?
C169 C170 C171 C172 0.0 . . . . ?
C170 C169 C168 C167 178.7(17) . . . . ?
C170 C169 C168 C173 0.0 . . . . ?
C170 C171 C172 C173 0.0 . . . . ?
C171 C172 C173 C168 0.0 . . . . ?
C172 C173 C168 C167 -178.7(17) . . . . ?
C172 C173 C168 C169 0.0 . . . . ?
C168 C167 C174 N13 -173.7(19) . . . . ?
C168 C167 C174 C175 63(3) . . . . ?
C168 C169 C170 C171 0.0 . . . . ?
C1 C6 C5 C13 179(2) . . . . ?
C1 C6 C5 C4 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C6 C5 C4 O1 172(2) . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C5 C13 C18 C17 -169(2) . . . . ?
C5 C13 C14 C15 169(3) . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C5 C4 C3 C8 -172(2) . . . . ?
C4 C3 C2 C1 0.0 . . . . ?
C4 C3 C8 C313 -138.4(15) . . . . ?
C4 C3 C8 C9 40(2) . . . . ?
C3 C8 C9 C10 -178.3(18) . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C3 C8 C313 49.3(19) . . . . ?
C2 C3 C8 C9 -132.5(13) . . . . ?
C126 C125 C127 C132 47(4) . . . . ?
C126 C125 C127 C128 -138(4) . . . . ?
C126 C125 C124 O5 -179(3) . . . . ?
C126 C125 C124 C123 4(4) . . . . ?
C62 C61 C102 N8 -178(3) . . . . ?
C62 C63 C64 C65 5(5) . . . . ?
C140 N14 C144 C143 3(4) . . . . ?
C140 N14 C144 C145 -171(2) . . . . ?
C213 C212 C211 C210 0.0 . . . . ?
C212 C213 C214 C215 0.0 . . . . ?
C212 C211 C210 C209 175.7(19) . . . . ?
C212 C211 C210 C215 0.0 . . . . ?
C211 C210 C215 C214 0.0 . . . . ?
C210 C209 C202 N22 -152(2) . . . . ?
C210 C209 C202 C203 72(3) . . . . ?
C210 C215 C214 C213 0.0 . . . . ?
C214 C213 C212 C211 0.0 . . . . ?
C225 C226 C227 C228 0.0 . . . . ?
C225 C226 C227 C235 173.4(17) . . . . ?
C225 C229 C234 C233 179.1(19) . . . . ?
C225 C229 C230 C231 -179(2) . . . . ?
C226 C225 C224 C223 0.0 . . . . ?
C226 C225 C229 C234 -133.4(13) . . . . ?
C226 C225 C229 C230 46(2) . . . . ?
C226 C227 C228 C223 0.0 . . . . ?
C226 C227 C235 C240 127.4(13) . . . . ?
C226 C227 C235 C236 -54.9(19) . . . . ?
C227 C228 C223 C224 0.0 . . . . ?
C227 C235 C236 C237 -177.6(19) . . . . ?
C228 C227 C235 C240 -58.8(17) . . . . ?
C228 C227 C235 C236 118.8(13) . . . . ?
C228 C223 C224 C225 0.0 . . . . ?
C224 C225 C226 O8 -174.9(19) . . . . ?
C224 C225 C226 C227 0.0 . . . . ?
C224 C225 C229 C234 52.3(18) . . . . ?
C224 C225 C229 C230 -128.6(13) . . . . ?
C107 C108 C103 O4 -169(3) . . . . ?
C107 C108 C103 C104 4(4) . . . . ?
C107 C108 C115 C116 -138(3) . . . . ?
C107 C108 C115 C120 36(4) . . . . ?
C95 N8 C102 C61 174(2) . . . . ?
C95 C88 C89 C90 66(3) . . . . ?
C95 C88 C89 C94 -116(2) . . . . ?
C277 C282 C281 C280 0.0 . . . . ?
C282 C277 C278 C279 0.0 . . . . ?
C282 C277 B2 C283 42(3) . . . . ?
C282 C277 B2 C271 -83(3) . . . . ?
C282 C277 B2 C265 156.6(15) . . . . ?
C282 C281 C280 C279 0.0 . . . . ?
C281 C280 C279 C278 0.0 . . . . ?
C280 C279 C278 C277 0.0 . . . . ?
C278 C277 C282 C281 0.0 . . . . ?
C278 C277 B2 C283 -145.4(18) . . . . ?
C278 C277 B2 C271 90(2) . . . . ?
C278 C277 B2 C265 -30(3) . . . . ?
C16 C15 C14 C13 6(5) . . . . ?
C305 C306 C301 B3 174(3) . . . . ?
C305 C306 C301 C302 -4(4) . . . . ?
C305 C304 C303 C302 1(6) . . . . ?
C131 C132 C127 C125 170(3) . . . . ?
C131 C132 C127 C128 -6(5) . . . . ?
C239 C240 C235 C227 177.7(18) . . . . ?
C239 C240 C235 C236 0.0 . . . . ?
C240 C239 C238 C237 0.0 . . . . ?
C240 C235 C236 C237 0.0 . . . . ?
C235 C227 C228 C223 -174.0(16) . . . . ?
C235 C236 C237 C238 0.0 . . . . ?
C236 C237 C238 C239 0.0 . . . . ?
C238 C239 C240 C235 0.0 . . . . ?
C194 C189 C188 N20 -59(3) . . . . ?
C194 C189 C188 C181 65(3) . . . . ?
C194 C189 C190 C191 -4(4) . . . . ?
C194 C193 C192 C191 8(6) . . . . ?
C181 N19 C222 C221 -173(3) . . . . ?
C181 C182 C183 C184 179(2) . . . . ?
B3 C289 C294 C293 -179(2) . . . . ?
B3 C307 C308 C309 -170(2) . . . . ?
B3 C307 C312 C311 170(2) . . . . ?
B3 C295 C300 C299 176(2) . . . . ?
B3 C301 C302 C303 -178(3) . . . . ?
C178 C177 C176 C175 7(6) . . . . ?
C219 C218 C217 N24 -3(4) . . . . ?
C219 C218 C217 C216 -177(3) . . . . ?
C24 C25 C20 C19 177(2) . . . . ?
C24 C25 C20 C21 0.0 . . . . ?
C25 C24 C23 C22 0.0 . . . . ?
C25 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C23 C24 C25 C20 0.0 . . . . ?
C216 N23 C209 C202 -174(2) . . . . ?
C216 N23 C209 C210 -51(3) . . . . ?
C265 C270 C269 C268 0.0 . . . . ?
C270 C265 C266 C267 0.0 . . . . ?
C270 C265 B2 C283 -159.5(16) . . . . ?
C270 C265 B2 C271 -46(2) . . . . ?
C270 C265 B2 C277 78(2) . . . . ?
C270 C269 C268 C267 0.0 . . . . ?
C269 C268 C267 C266 0.0 . . . . ?
C268 C267 C266 C265 0.0 . . . . ?
C266 C265 C270 C269 0.0 . . . . ?
C266 C265 B2 C283 21(3) . . . . ?
C266 C265 B2 C271 133.8(19) . . . . ?
C266 C265 B2 C277 -101(2) . . . . ?
C64 C65 C66 N12 178(3) . . . . ?
C64 C63 C62 C61 2(4) . . . . ?
C162 C161 C160 N16 -160(3) . . . . ?
C88 N9 C87 C86 -174(3) . . . . ?
C88 C89 C94 C93 -179(2) . . . . ?
C71 C72 C73 C68 0.0 . . . . ?
C72 C71 C70 C69 0.0 . . . . ?
C72 C73 C68 C67 -174(2) . . . . ?
C72 C73 C68 C69 0.0 . . . . ?
C73 C68 C69 C70 0.0 . . . . ?
C68 C67 C74 N11 -180.0(19) . . . . ?
C68 C67 C74 C75 57(3) . . . . ?
C68 C69 C70 C71 0.0 . . . . ?
C70 C71 C72 C73 0.0 . . . . ?
C135 C136 C137 C138 0.0 . . . . ?
C136 C135 C134 C133 0.0 . . . . ?
C136 C137 C138 C133 0.0 . . . . ?
C137 C138 C133 C123 -179.1(19) . . . . ?
C137 C138 C133 C134 0.0 . . . . ?
C138 C133 C134 C135 0.0 . . . . ?
C133 C123 C122 C121 179(3) . . . . ?
C133 C123 C124 O5 -6(4) . . . . ?
C133 C123 C124 C125 170(2) . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C302 C301 B3 C289 -161(3) . . . . ?
C302 C301 B3 C307 82(4) . . . . ?
C302 C301 B3 C295 -56(4) . . . . ?
C257 C258 C253 C254 0.0 . . . . ?
C257 C258 C253 B1 -178(2) . . . . ?
C258 C257 C256 C255 0.0 . . . . ?
C258 C253 C254 C255 0.0 . . . . ?
C258 C253 B1 C241 28(3) . . . . ?
C258 C253 B1 C247 -95(3) . . . . ?
C258 C253 B1 C259 149.5(17) . . . . ?
C253 C254 C255 C256 0.0 . . . . ?
C254 C253 B1 C241 -150(2) . . . . ?
C254 C253 B1 C247 87(3) . . . . ?
C254 C253 B1 C259 -28(3) . . . . ?
C254 C255 C256 C257 0.0 . . . . ?
C256 C257 C258 C253 0.0 . . . . ?
C12 C313 C8 C3 178(2) . . . . ?
C12 C313 C8 C9 0.0 . . . . ?
C313 C12 C11 C10 0.0 . . . . ?
C313 C8 C9 C10 0.0 . . . . ?
C8 C3 C2 C1 172.9(19) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C11 C12 C313 C8 0.0 . . . . ?
C116 C115 C120 C119 0.0 . . . . ?
C115 C108 C103 O4 15(4) . . . . ?
C115 C108 C103 C104 -172(2) . . . . ?
C115 C108 C107 C106 172(3) . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C115 C120 C119 C118 0.0 . . . . ?
C120 C119 C118 C117 0.0 . . . . ?
C119 C118 C117 C116 0.0 . . . . ?
C117 C116 C115 C108 174(2) . . . . ?
C117 C116 C115 C120 0.0 . . . . ?
C92 C91 C90 C89 0.0 . . . . ?
C91 C92 C93 C94 0.0 . . . . ?
C91 C90 C89 C88 179(2) . . . . ?
C91 C90 C89 C94 0.0 . . . . ?
C90 C89 C94 C93 0.0 . . . . ?
C89 C94 C93 C92 0.0 . . . . ?
C93 C92 C91 C90 0.0 . . . . ?
C246 C245 C244 C243 0.0 . . . . ?
C246 C241 B1 C253 41(3) . . . . ?
C246 C241 B1 C247 163.6(18) . . . . ?
C246 C241 B1 C259 -79(3) . . . . ?
C245 C246 C241 C242 0.0 . . . . ?
C245 C246 C241 B1 178(2) . . . . ?
C245 C244 C243 C242 0.0 . . . . ?
C244 C243 C242 C241 0.0 . . . . ?
C243 C242 C241 C246 0.0 . . . . ?
C243 C242 C241 B1 -178(2) . . . . ?
C242 C241 B1 C253 -140(2) . . . . ?
C242 C241 B1 C247 -18(3) . . . . ?
C242 C241 B1 C259 99(2) . . . . ?
C241 C246 C245 C244 0.0 . . . . ?
C229 C225 C226 O8 11(2) . . . . ?
C229 C225 C226 C227 -174.1(19) . . . . ?
C229 C225 C224 C223 174.5(18) . . . . ?
C229 C234 C233 C232 0.0 . . . . ?
C234 C229 C230 C231 0.0 . . . . ?
C234 C233 C232 C231 0.0 . . . . ?
C233 C232 C231 C230 0.0 . . . . ?
C232 C231 C230 C229 0.0 . . . . ?
C230 C229 C234 C233 0.0 . . . . ?
C38 N5 C34 C35 -8(4) . . . . ?
C38 N5 C34 C33 169(3) . . . . ?
C249 C248 C247 C252 0.0 . . . . ?
C249 C248 C247 B1 172(2) . . . . ?
C248 C249 C250 C251 0.0 . . . . ?
C248 C247 C252 C251 0.0 . . . . ?
C248 C247 B1 C253 39(3) . . . . ?
C248 C247 B1 C241 -86(3) . . . . ?
C248 C247 B1 C259 154.0(17) . . . . ?
C247 C252 C251 C250 0.0 . . . . ?
C252 C247 B1 C253 -149.0(19) . . . . ?
C252 C247 B1 C241 86(3) . . . . ?
C252 C247 B1 C259 -34(3) . . . . ?
C252 C251 C250 C249 0.0 . . . . ?
C250 C249 C248 C247 0.0 . . . . ?
C330 C325 C326 C327 0.0 . . . . ?
C330 C325 B4 C331 49(3) . . . . ?
C330 C325 B4 C319 164.8(18) . . . . ?
C330 C325 B4 C314 -73(3) . . . . ?
C325 C330 C329 C328 0.0 . . . . ?
C325 C326 C327 C328 0.0 . . . . ?
C326 C325 B4 C331 -131(2) . . . . ?
C326 C325 B4 C319 -16(3) . . . . ?
C326 C325 B4 C314 106(2) . . . . ?
C326 C327 C328 C329 0.0 . . . . ?
C327 C328 C329 C330 0.0 . . . . ?
C329 C330 C325 C326 0.0 . . . . ?
C329 C330 C325 B4 180(2) . . . . ?
C261 C260 C259 C264 0.0 . . . . ?
C261 C260 C259 B1 176(2) . . . . ?
C260 C261 C262 C263 0.0 . . . . ?
C260 C259 C264 C263 0.0 . . . . ?
C260 C259 B1 C253 82(3) . . . . ?
C260 C259 B1 C241 -153.3(18) . . . . ?
C260 C259 B1 C247 -34(3) . . . . ?
C259 C264 C263 C262 0.0 . . . . ?
C264 C259 B1 C253 -101(2) . . . . ?
C264 C259 B1 C241 23(3) . . . . ?
C264 C259 B1 C247 142.3(18) . . . . ?
C264 C263 C262 C261 0.0 . . . . ?
C262 C261 C260 C259 0.0 . . . . ?
B4 C331 C332 C333 177(3) . . . . ?
B4 C319 C320 C321 169(2) . . . . ?
B4 C314 C315 C317 178(2) . . . . ?
B4 C325 C326 C327 -180(2) . . . . ?
C52 C51 C50 C49 0.0 . . . . ?
C51 C52 C53 C48 0.0 . . . . ?
C51 C50 C49 C48 0.0 . . . . ?
C50 C49 C48 C47 173(2) . . . . ?
C50 C49 C48 C53 0.0 . . . . ?
C49 C48 C53 C52 0.0 . . . . ?
C53 C52 C51 C50 0.0 . . . . ?
B2 C283 C284 C285 -178(3) . . . . ?
B2 C283 C288 C287 173(3) . . . . ?
B2 C271 C272 C273 170(2) . . . . ?
B2 C277 C282 C281 173(2) . . . . ?
B2 C277 C278 C279 -173(2) . . . . ?
B2 C265 C270 C269 -179.9(18) . . . . ?
B2 C265 C266 C267 180(2) . . . . ?
C177 C178 C179 C180 16(5) . . . . ?
B1 C253 C254 C255 178(2) . . . . ?
B1 C247 C252 C251 -172(2) . . . . ?
B1 C259 C264 C263 -176(2) . . . . ?
C186 C187 C182 C181 -179(2) . . . . ?
C186 C187 C182 C183 0.0 . . . . ?
C187 C186 C185 C184 0.0 . . . . ?
C187 C182 C183 C184 0.0 . . . . ?
C182 C183 C184 C185 0.0 . . . . ?
C183 C184 C185 C186 0.0 . . . . ?
C185 C186 C187 C182 0.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C29 C28 C27 0.0 . . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C31 C32 C27 C26 177(2) . . . . ?
C31 C32 C27 C28 0.0 . . . . ?
C32 C27 C28 C29 0.0 . . . . ?
C27 C26 C19 N1 -168(2) . . . . ?
C27 C26 C19 C20 67(3) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C14 C13 C18 C17 7(4) . . . . ?
C14 C13 C5 C6 -53(3) . . . . ?
C14 C13 C5 C4 125(3) . . . . ?
C14 C15 C16 C17 -6(5) . . . . ?
C112 C113 C114 C109 0.0 . . . . ?
C113 C112 C111 C110 0.0 . . . . ?
C113 C114 C109 C104 -172(2) . . . . ?
C113 C114 C109 C110 0.0 . . . . ?
C114 C109 C110 C111 0.0 . . . . ?
C109 C104 C103 O4 -12(3) . . . . ?
C109 C104 C103 C108 175(2) . . . . ?
C109 C104 C105 C106 -171(3) . . . . ?
C109 C110 C111 C112 0.0 . . . . ?
C111 C112 C113 C114 0.0 . . . . ?
C176 C175 C180 C179 -8(4) . . . . ?
C179 C178 C177 C176 -19(6) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 1090 electrons were 
found in a volume of 7840Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
6.5[CH3CN] per Asymmetric Unit 
which account for 1144 electrons 
per unit cell.
;
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 0.315 -0.596 -0.642 7716.2 1090.4 '52 CH3CN'
2 0.120 0.228 0.250 31.2 0.0 ?
3 0.380 0.728 0.750 31.2 0.0 ?
4 0.620 0.728 0.250 31.2 0.0 ?
5 0.880 0.228 0.750 31.2 0.0 ?

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

# start Validation Reply Form
_vrf_PLAT971_2                   
;
PROBLEM: Check Calcd Resid. Dens. 0.28Ang From Dy4 6.69 eA-3 
Check Calcd Resid. Dens. 1.75Ang From O3 2.53 eA-3 
RESPONSE: The alert was mainly due to there is q peak that not assigned to
any element. such residual density is likely not from unaccounted atom types. 
It is caused by the presence of the heavy atoms and evidently relatively poor 
crystal quality as well as absorption correction method.
;
_vrf_PLAT973_2                   
;
PROBLEM:  Check Calcd Positive Resid. Density on Dy3 6.35 eA-3
Check Calcd Positive Resid. Density on Dy2 5.91 eA-3
Check Calcd Positive Resid. Density on Dy1 5.46 eA-3
RESPONSE: Dy is a heavy atom and this alert is often found for molecules of 
this type. In addition, the crystal is poorly diffracted.
;
_vrf_PLAT094_2                   
;
PROBLEM: Ratio of Maximum / Minimum Residual Density .... 4.69 Report
RESPONSE: Due to electron density around the Dy atoms that was not modeled.
;
_vrf_PLAT342_2                   
;
PROBLEM:  Low Bond Precision on C-C Bonds ............... 0.0336 Ang. 
RESPONSE: The quality of this crystal was poor.
;
_vrf_PLAT910_2                   
;
PROBLEM:  Missing # of FCF Reflection(s) Below Theta(Min). 20 Note 
RESPONSE: The missing FCF reflections below theta(min) were caused by the 
high beamstop theta(min) limit set.
;
_vrf_PLAT987_2                   
;
PROBLEM: The Flack x is >> 0 - Do a BASF/TWIN Refinement Please Check
RESPONSE: This alert may be caused by the low quality of data.
;
# end Validation Reply Form
_exptl_crystal_preparation       'Magnetic properties'
