#------------------------------------------------------------------------------
#$Date: 2023-07-11 01:50:13 +0300 (Tue, 11 Jul 2023) $
#$Revision: 285128 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/34/7713420.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7713420
loop_
_publ_author_name
'Zhao, Chen'
'Wang, Tingting'
'Liu, Xiaodong'
'Zhu, Zhenhua'
'Ying, Xu'
'Li, Xiao-Lei'
'Tang, Jinkui'
_publ_section_title
;
 Peroxido-bridged chiral double-decker dysprosium macrocycles
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01540H
_journal_year                    2023
_chemical_absolute_configuration ad
_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
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-06-26
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2023-07-07 deposited with the CCDC.	2023-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.2170(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.7238(10)
_cell_length_b                   17.4037(6)
_cell_length_c                   62.791(2)
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    180.00
_cell_measurement_theta_max      22.625
_cell_measurement_theta_min      2.277
_cell_volume                     31621.6(18)
_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)'
_diffrn_ambient_temperature      180.00
_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_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_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_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_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_description       plate
_exptl_crystal_F_000             12576
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.03
_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_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_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0400
_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
_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_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01540h2.cif
_cod_data_source_block           1
_cod_original_cell_volume        31621.5(19)
_cod_database_code               7713420
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.971
_shelx_estimated_absorpt_t_min   0.753
_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)
;
_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.
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
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'
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 . . .
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'
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_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_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) . . . . ?
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 ?
