#------------------------------------------------------------------------------
#$Date: 2025-03-04 20:26:28 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298025 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/42/7134252.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_7134252
loop_
_publ_author_name
'Zhou, Wen'
'McKearney, Declan'
'Okada, Yusuke'
'Kobayashi, Nagao'
'Leznoff, Daniel B.'
_publ_section_title
;
 Isolating the ring-redox states of boron sub-phthalocyanines.
;
_journal_issue                   19
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3832
_journal_page_last               3835
_journal_paper_doi               10.1039/d4cc06727d
_journal_volume                  61
_journal_year                    2025
_chemical_absolute_configuration rm
_chemical_formula_moiety
'3(C76.5 H41 B3 K2 N18 O2.5), 3(C76 H44.5 B3 K2 N18 O2), C15 H15 K O5.5, C13.5 K O6, C12 H4.5 K1 O6, C18.5 H15 K2 O8, C10.5 H3 K O6'
_chemical_formula_sum            'C527 H294 B18 K18 N108 O45'
_chemical_formula_weight         9757.06
_space_group_crystal_system      trigonal
_space_group_IT_number           143
_space_group_name_Hall           'P 3'
_space_group_name_H-M_alt        'P 3'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2024-11-26
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2024-11-26 deposited with the CCDC.	2025-01-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   27.0235(7)
_cell_length_b                   27.0235(7)
_cell_length_c                   21.5015(13)
_cell_measurement_reflns_used    9570
_cell_measurement_temperature    150.03
_cell_measurement_theta_max      67.08
_cell_measurement_theta_min      3.27
_cell_volume                     13598.2(10)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      150.03
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1215
_diffrn_reflns_av_unetI/netI     0.1417
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            73113
_diffrn_reflns_point_group_measured_fraction_full 0.835
_diffrn_reflns_point_group_measured_fraction_max 0.813
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.765
_diffrn_reflns_theta_min         2.791
_exptl_absorpt_coefficient_mu    1.838
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.5463
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1265 before and 0.0886 after correction.
The Ratio of minimum to maximum transmission is 0.7252.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.191
_exptl_crystal_description       Block
_exptl_crystal_F_000             5004
_exptl_crystal_size_max          0.206
_exptl_crystal_size_mid          0.124
_exptl_crystal_size_min          0.066
_refine_diff_density_max         1.056
_refine_diff_density_min         -0.755
_refine_diff_density_rms         0.123
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.50(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.270
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2952
_refine_ls_number_reflns         27856
_refine_ls_number_restraints     6917
_refine_ls_restrained_S_all      1.183
_refine_ls_R_factor_all          0.2500
_refine_ls_R_factor_gt           0.1432
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3614
_refine_ls_wR_factor_ref         0.4416
_reflns_Friedel_coverage         0.679
_reflns_Friedel_fraction_full    0.684
_reflns_Friedel_fraction_max     0.658
_reflns_number_gt                12196
_reflns_number_total             27856
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc06727d2.cif
_cod_data_source_block           cu_zwsupcbkc8_0m_b
_cod_depositor_comments
;
The following automatic conversions were performed:

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

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

 Adding full bibliography for 7134249--7134252.cif.
;
_cod_original_cell_volume        13598.2(11)
_cod_database_code               7134252
_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   0.888
_shelx_estimated_absorpt_t_min   0.703
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.50(4)
 0.50(4)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
3. Restrained distances
 O8-C52 = C52-O18 = C183-C182 = O11-C161 = C166-C164 = O25-C309 = C302-O30 =
 C308-O25
 1.5 with sigma of 0.02
 C321-O15 = O15-C327 = C318-O14 = C162-O3 = C325-O17 = C331-C332 = C332-O20 =
 O1-C166
 1.5 with sigma of 0.02
 C308-C307 = C307-C319 = C184-O23 = O18-C356 = O1-C357 = O20-C359 = C321-C320
 1.5 with sigma of 0.02
 C175-C173 = C329-C360 = O28-C361 = C331-O16 = O29-C301 = O31-C367 = O31-C366
 1.5 with sigma of 0.02
 C176-O27 = C366-C184 = C360-O28 = O9-C320 = C303-C301 = C330-O4 = C325-C322
 1.5 with sigma of 0.02
 C361-C326 = O19-O28
 2 with sigma of 0.02
 O15-K11
 3.371 with sigma of 0.01
 C329-K7
 3.223 with sigma of 0.01
 C359-K6
 3.809 with sigma of 0.01
 C332-K6
 2.626 with sigma of 0.01
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
6. Others
 Sof(N35)=Sof(N36)=Sof(C198)=Sof(C199)=Sof(C200)=Sof(C201)=Sof(C202)=Sof(H202)=
 Sof(C203)=Sof(H203)=Sof(C204)=Sof(H204)=Sof(C205)=Sof(H205)=1-FVAR(1)
 Sof(N16)=Sof(N30)=Sof(C54)=Sof(C56)=Sof(C57)=Sof(C58)=Sof(C77)=Sof(H77)=
 Sof(C78)=Sof(H78)=Sof(C79)=Sof(H79)=Sof(C80)=Sof(H80)=FVAR(1)
 Sof(N39)=Sof(C197)=Sof(C206)=Sof(C207)=Sof(C208)=Sof(C209)=Sof(H209)=
 Sof(C210)=Sof(H210)=Sof(C211)=Sof(H211)=Sof(C212)=Sof(H212)=1-FVAR(2)
 Sof(N13)=Sof(C1)=Sof(C2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5)=
 Sof(C6)=Sof(H6)=Sof(C7)=Sof(C8)=FVAR(2)
 Sof(C213)=Sof(C214)=Sof(H214)=Sof(C215)=Sof(H215)=Sof(C216)=Sof(H216)=
 Sof(C217)=Sof(H217)=Sof(C218)=1-FVAR(3)
 Sof(C40)=Sof(C41)=Sof(C43)=Sof(H43)=Sof(C44)=Sof(H44)=Sof(C45)=Sof(H45)=
 Sof(C46)=Sof(H46)=FVAR(3)
 Sof(N37)=Sof(N38)=Sof(C219)=Sof(C221)=Sof(C222)=Sof(H222)=Sof(C223)=Sof(H223)=
 Sof(C224)=Sof(H224)=Sof(C47)=Sof(H47)=Sof(C73)=1-FVAR(4)
 Sof(N12)=Sof(N14)=Sof(C236)=Sof(H236)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(C74)=
 Sof(H74)=Sof(C75)=Sof(H75)=Sof(C76)=Sof(H76)=FVAR(4)
 Sof(C225)=Sof(H225)=Sof(C226)=Sof(H226)=Sof(C227)=Sof(H227)=Sof(C228)=
 Sof(H228)=1-FVAR(5)
 Sof(C36)=Sof(H36)=Sof(C37)=Sof(H37)=Sof(C38)=Sof(H38)=Sof(C39)=Sof(H39)=FVAR(5)
 Sof(C229)=Sof(C230)=Sof(H230)=Sof(C231)=Sof(H231)=Sof(C232)=Sof(H232)=
 Sof(C233)=Sof(H233)=Sof(C234)=1-FVAR(6)
 Sof(C116)=Sof(C117)=Sof(H117)=Sof(C118)=Sof(H118)=Sof(C119)=Sof(H119)=
 Sof(C120)=Sof(H120)=Sof(C121)=FVAR(6)
 Sof(K11)=Sof(K12)=Sof(K13)=0.33333*(1-FVAR(8))
 Sof(K7)=Sof(K10)=Sof(K9)=0.33333*FVAR(8)
 Fixed Sof: O1(0.166667) O2(0.5) O3(0.166667) O4(0.5) C330(0.5) H33A(0.5)
 H33B(0.5) C331(0.5) C332(0.5) C333(0.5) C334(0.5) C355(0.5) C356(0.5)
 C357(0.5) O6(0.5) O7(0.5) O8(0.5) O9(0.5) O10(0.5) O11(0.5) O12(0.5) O13(0.5)
 C358(0.5) C359(0.5) O14(0.5) O15(0.5) O16(0.5) O17(0.5) O18(0.5) O19(0.5)
 O20(0.5) O21(0.5) O22(0.5) O23(0.5) O24(0.5) O25(0.5) O26(0.5) O27(0.5)
 O28(0.5) O29(0.5) O30(0.5) O31(0.166667) C51(0.5) C52(0.5) C70(0.5) H70A(0.5)
 H70B(0.5) H70C(0.5) C72(0.5) H72A(0.5) H72B(0.5) C81(0.5) H81A(0.5) H81B(0.5)
 H81C(0.5) C115(0.5) H11A(0.5) H11B(0.5) C161(0.5) H16A(0.5) H16B(0.5)
 C162(0.5) C164(0.5) C166(0.5) C168(0.5) H16E(0.5) H16F(0.5) C169(0.5)
 H16G(0.5) H16H(0.5) C173(0.5) C175(0.5) C176(0.5) C180(0.5) C181(0.5)
 H18A(0.5) H18B(0.5) H18C(0.5) C182(0.5) H18D(0.5) H18E(0.5) C183(0.5)
 H18F(0.5) H18G(0.5) C184(0.5) C185(0.5) H18H(0.5) H18I(0.5) H18J(0.5)
 C300(0.5) H30A(0.5) H30B(0.5) H30C(0.5) C301(0.5) H30D(0.5) H30E(0.5)
 C302(0.5) H30F(0.5) H30G(0.5) H30H(0.5) C303(0.5) H30I(0.5) H30J(0.5)
 C304(0.5) C305(0.5) H30K(0.5) H30L(0.5) H30M(0.5) C306(0.5) C307(0.5)
 C308(0.5) C309(0.5) C311(0.5) C312(0.5) H31A(0.5) H31B(0.5) C313(0.5)
 C318(0.5) C319(0.5) C320(0.5) C321(0.5) C322(0.5) H32G(0.5) H32H(0.5)
 C323(0.5) C324(0.5) C325(0.5) C326(0.5) C327(0.5) H32A(0.25) H32B(0.25)
 H32C(0.25) H32D(0.25) H32E(0.25) H32F(0.25) C329(0.5) C360(0.5) C361(0.5)
 C362(0.5) C366(0.5) C367(0.166667)
7.a Secondary CH2 refined with riding coordinates:
 C330(H33A,H33B), C72(H72A,H72B), C115(H11A,H11B), C161(H16A,H16B), C167(H16C,
 H16D), C168(H16E,H16F), C169(H16G,H16H), C182(H18D,H18E), C183(H18F,H18G),
 C301(H30D,H30E), C303(H30I,H30J), C312(H31A,H31B), C322(H32G,H32H)
7.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C18(H18), C19(H19), C20(H20), C21(H21),
 C22(H22), C23(H23), C24(H24), C25(H25), C36(H36), C37(H37), C38(H38), C39(H39),
  C43(H43), C44(H44), C45(H45), C46(H46), C61(H61), C62(H62), C63(H63),
 C64(H64), C65(H65), C66(H66), C67(H67), C68(H68), C236(H236), C74(H74),
 C75(H75), C76(H76), C77(H77), C78(H78), C79(H79), C80(H80), C83(H83), C84(H84),
  C85(H85), C86(H86), C98(H98), C99(H99), C100(H100), C101(H101), C102(H102),
 C103(H103), C104(H104), C105(H105), C117(H117), C118(H118), C119(H119),
 C120(H120), C130(H130), C131(H131), C132(H132), C133(H133), C139(H139),
 C140(H140), C141(H141), C142(H142), C145(H145), C146(H146), C147(H147),
 C148(H148), C152(H152), C153(H153), C154(H154), C155(H155), C156(H156),
 C157(H157), C158(H158), C159(H159), C230(H230), C231(H231), C232(H232),
 C233(H233), C225(H225), C226(H226), C227(H227), C228(H228), C222(H222),
 C223(H223), C224(H224), C47(H47), C214(H214), C215(H215), C216(H216),
 C217(H217), C209(H209), C210(H210), C211(H211), C212(H212), C202(H202),
 C203(H203), C204(H204), C205(H205)
7.c Fitted hexagon refined as free rotating group:
 C221(C222,C223,C224,C47,C73)
7.d Disordered Me refined with riding coordinates:
 C327(H32A,H32B,H32C,H32D,H32E,H32F)
7.e Idealised Me refined as rotating group:
 C70(H70A,H70B,H70C), C81(H81A,H81B,H81C), C181(H18A,H18B,H18C), C185(H18H,
 H18I,H18J), C300(H30A,H30B,H30C), C302(H30F,H30G,H30H), C305(H30K,H30L,H30M)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, 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
K1 K 1.0114(2) 0.6636(3) 0.9051(3) 0.0886(15) Uani 1 1 d . U . . .
K2 K 0.9828(2) 0.6604(2) 0.5891(3) 0.0693(12) Uani 1 1 d . U . . .
K3 K 0.65684(19) 0.6474(2) 0.0910(3) 0.0679(11) Uani 1 1 d . U . . .
K4 K 0.6738(3) 0.6776(2) 0.4064(3) 0.0982(18) Uani 1 1 d . U . . .
K5 K 0.666667 0.333333 0.7961(4) 0.0651(19) Uani 1 3 d S TU P . .
K6 K 0.666667 0.333333 0.2998(4) 0.0627(18) Uani 1 3 d DS TU P . .
K7 K 1.000000 1.000000 0.7810(9) 0.091(4) Uani 0.665(12) 3 d DS TU P A 1
K10 K 0.333333 0.666667 0.2083(7) 0.070(3) Uani 0.665(12) 3 d S TU P A 1
K9 K 1.333333 0.666667 0.6940(7) 0.060(3) Uani 0.665(12) 3 d S TU P A 1
K8 K 1.000000 1.000000 0.2075(6) 0.089(3) Uani 1 3 d S TU P . .
K11 K 1.000000 1.000000 0.7123(14) 0.087(5) Uani 0.335(12) 3 d DS TU P A 2
K12 K 0.333333 0.666667 0.2762(15) 0.090(5) Uani 0.335(12) 3 d S TU P A 2
K13 K 1.333333 0.666667 0.7158(18) 0.069(5) Uani 0.335(12) 3 d S TU P A 2
O1 O 0.666667 0.333333 0.919(2) 0.095(5) Uani 0.5 3 d DS TU P . .
O2 O 1.0065(12) 0.5880(12) 1.0028(13) 0.067(4) Uani 0.5 1 d . U P D .
O3 O 0.666667 0.333333 0.657(3) 0.090(5) Uani 0.5 3 d DS TU P . .
O4 O 0.7490(14) 0.6882(15) 0.5394(16) 0.092(5) Uani 0.5 1 d D U P . .
O5 O 0.9082(10) 0.8932(9) 0.1989(11) 0.130(5) Uani 1 1 d . U . . .
C330 C 0.6928(18) 0.681(2) 0.565(2) 0.088(5) Uani 0.5 1 d D U P G .
H33A H 0.688514 0.671881 0.610138 0.106 Uiso 0.5 1 calc R U P . .
H33B H 0.659270 0.651160 0.542428 0.106 Uiso 0.5 1 calc R U P . .
C331 C 0.699(2) 0.2506(18) 0.190(3) 0.107(6) Uani 0.5 1 d D U P . .
C332 C 0.675(2) 0.2894(16) 0.1938(11) 0.106(5) Uani 0.5 1 d D U P . .
C333 C 0.690(2) 0.376(2) 0.668(2) 0.088(7) Uani 0.5 1 d . U P . .
C334 C 0.958(3) 0.989(3) 0.378(3) 0.130(9) Uani 0.5 1 d . U P . .
C355 C 1.097(2) 0.7307(19) 1.039(2) 0.092(10) Uani 0.5 1 d . U P . .
C356 C 0.932(2) 0.674(2) 1.017(2) 0.085(5) Uani 0.5 1 d D U P . .
C357 C 0.7178(19) 0.367(2) 0.961(2) 0.099(7) Uani 0.5 1 d D U P . .
O6 O 0.6698(15) 0.7388(14) 0.5086(16) 0.091(5) Uani 0.5 1 d . U P G .
O7 O 0.4287(15) 0.7465(16) 0.1379(18) 0.106(7) Uani 0.5 1 d . U P . .
O8 O 1.0490(12) 0.7081(12) 1.0188(13) 0.078(4) Uani 0.5 1 d D U P D .
O9 O 1.0097(18) 0.8922(17) 0.708(2) 0.128(6) Uani 0.5 1 d D U P . .
O10 O 0.7690(13) 0.3324(13) 0.8434(15) 0.083(5) Uani 0.5 1 d . U P . .
O11 O 0.6379(14) 0.2409(13) 0.7263(15) 0.093(5) Uani 0.5 1 d D U P . .
O12 O 0.6790(13) 0.2322(13) 0.8015(16) 0.081(4) Uani 0.5 1 d . U P . .
O13 O 0.7784(13) 0.4014(14) 0.3019(16) 0.090(5) Uani 0.5 1 d . U P . .
C358 C 0.778(2) 0.347(2) 0.304(3) 0.085(5) Uani 0.5 1 d . U P . .
C359 C 0.681(3) 0.2856(19) 0.1373(13) 0.109(6) Uani 0.5 1 d D U P . .
O14 O 0.7645(13) 0.4296(14) 0.3559(16) 0.089(5) Uani 0.5 1 d D U P . .
O15 O 1.1121(15) 1.020(2) 0.6257(19) 0.143(8) Uani 0.5 1 d D U P . .
O16 O 0.7341(15) 0.3071(15) 0.2219(17) 0.106(5) Uani 0.5 1 d D U P . .
O17 O 0.9280(17) 0.9817(17) 0.310(2) 0.127(7) Uani 0.5 1 d D U P . .
O18 O 0.9645(13) 0.6430(14) 1.0154(14) 0.087(4) Uani 0.5 1 d D U P D .
O19 O 0.955(2) 0.9480(18) 0.893(2) 0.131(6) Uani 0.5 1 d D U P . .
O20 O 0.7018(14) 0.3451(14) 0.1578(17) 0.112(6) Uani 0.5 1 d D U P . .
O21 O 1.4374(12) 0.6772(12) 0.6468(15) 0.074(5) Uani 0.5 1 d . U P . .
O22 O 1.3484(12) 0.5727(12) 0.6937(14) 0.067(5) Uani 0.5 1 d . U P . .
O23 O 1.3148(18) 0.7130(18) 0.8151(19) 0.126(7) Uani 0.5 1 d D U P . .
O24 O 0.9171(11) 0.6578(12) 0.4922(13) 0.066(4) Uani 0.5 1 d . U P . .
O25 O 0.3811(16) 0.6091(15) 0.3250(17) 0.112(7) Uani 0.5 1 d D U P . .
O26 O 1.0346(11) 0.7003(12) 0.4769(12) 0.074(4) Uani 0.5 1 d . U P . .
O27 O 1.0071(19) 0.9119(18) 0.135(2) 0.121(6) Uani 0.5 1 d D U P . .
O28 O 0.9282(18) 0.8924(17) 0.8225(18) 0.132(6) Uani 0.5 1 d D U P . .
O29 O 0.6438(14) 0.6861(12) -0.0085(14) 0.084(5) Uani 0.5 1 d D U P . .
O30 O 0.6400(12) 0.5802(12) -0.0038(13) 0.077(4) Uani 0.5 1 d D U P . .
O31 O 1.333333 0.666667 1.010(3) 0.156(8) Uani 0.5 3 d DS TU P A .
N2 N 1.0959(7) 0.6963(7) 0.7935(9) 0.062(3) Uani 1 1 d . U . . .
N4 N 1.1700(6) 0.7726(6) 0.6248(8) 0.055(3) Uani 1 1 d . U . . .
N5 N 1.0304(7) 0.6117(7) 0.7378(9) 0.058(3) Uani 1 1 d . U . . .
N6 N 1.0493(7) 0.7508(7) 0.7480(9) 0.061(3) Uani 1 1 d . U . . .
N7 N 0.9703(7) 0.7267(7) 0.8128(9) 0.058(2) Uani 1 1 d . U . . .
N8 N 0.9605(7) 0.7240(6) 0.6996(8) 0.053(2) Uani 1 1 d . U . . .
N9 N 0.9417(7) 0.5671(7) 0.8023(8) 0.057(3) Uani 1 1 d . U . . .
N10 N 0.9316(7) 0.5703(7) 0.6920(8) 0.054(2) Uani 1 1 d . U . . .
N11 N 0.9120(7) 0.6305(6) 0.7597(8) 0.052(3) Uani 1 1 d . U . . .
N15 N 0.9178(7) 0.4841(7) 0.6360(8) 0.056(3) Uani 1 1 d . U . . .
N17 N 0.7066(7) 0.8228(7) 0.2339(9) 0.062(3) Uani 1 1 d . U . . .
N18 N 0.7312(7) 0.8349(7) 0.1226(9) 0.063(3) Uani 1 1 d . U . . .
N19 N 0.7221(7) 0.7543(7) 0.1830(8) 0.058(2) Uani 1 1 d . U . . .
N20 N 0.7283(8) 0.7619(8) 0.2926(9) 0.068(3) Uani 1 1 d . U . . .
N21 N 0.7393(9) 0.8504(8) 0.3326(10) 0.079(4) Uani 1 1 d . U . . .
N22 N 0.7490(8) 0.6971(8) 0.2439(10) 0.069(3) Uani 1 1 d . U . . .
N23 N 0.6293(7) 0.7134(7) 0.2425(8) 0.060(3) Uani 1 1 d . U . . .
N24 N 0.5738(7) 0.6360(7) 0.3089(9) 0.059(2) Uani 1 1 d . U . . .
N25 N 0.5677(7) 0.6246(7) 0.1982(8) 0.053(2) Uani 1 1 d . U . . .
N26 N 0.6940(7) 0.5978(7) 0.1956(9) 0.060(3) Uani 1 1 d . U . . .
N27 N 0.6139(7) 0.5790(7) 0.2615(8) 0.053(3) Uani 1 1 d . U . . .
N28 N 0.7845(8) 0.6232(8) 0.2430(10) 0.073(3) Uani 1 1 d . U . . .
N29 N 0.7656(7) 0.5813(8) 0.1392(9) 0.072(3) Uani 1 1 d . U . . .
N31 N 0.5054(7) 0.5473(7) 0.2655(8) 0.053(3) Uani 1 1 d . U . . .
N32 N 0.4802(6) 0.5440(7) 0.1576(8) 0.053(3) Uani 1 1 d . U . . .
N33 N 0.4905(8) 0.5675(8) 0.3669(9) 0.069(4) Uani 1 1 d . U . . .
N34 N 0.7859(8) 0.6031(8) 0.3468(10) 0.074(4) Uani 1 1 d . U . . .
N41 N 0.7044(8) 0.6094(7) 0.3077(9) 0.067(3) Uani 1 1 d . U . . .
N3 N 1.1849(7) 0.7701(8) 0.8382(8) 0.066(3) Uani 1 1 d . U . . .
N13 N 1.1568(16) 0.7815(16) 0.7268(15) 0.052(4) Uani 0.56(2) 1 d . U P B 1
C1 C 1.2429(13) 0.8465(13) 0.6892(18) 0.042(4) Uani 0.56(2) 1 d . U P B 1
C2 C 1.2486(17) 0.8472(17) 0.754(2) 0.047(4) Uani 0.56(2) 1 d . U P B 1
C3 C 1.2998(14) 0.8839(15) 0.7804(18) 0.049(4) Uani 0.56(2) 1 d . U P B 1
H3 H 1.305251 0.884448 0.824072 0.059 Uiso 0.56(2) 1 calc R U P B 1
C4 C 1.3496(17) 0.9254(17) 0.736(2) 0.052(5) Uani 0.56(2) 1 d . U P B 1
H4 H 1.384845 0.954433 0.752388 0.063 Uiso 0.56(2) 1 calc R U P B 1
C5 C 1.3422(15) 0.9197(14) 0.6780(19) 0.053(4) Uani 0.56(2) 1 d . U P B 1
H5 H 1.373752 0.941892 0.651400 0.063 Uiso 0.56(2) 1 calc R U P B 1
C6 C 1.2886(14) 0.8814(14) 0.6511(18) 0.050(4) Uani 0.56(2) 1 d . U P B 1
H6 H 1.283938 0.879608 0.607226 0.060 Uiso 0.56(2) 1 calc R U P B 1
C7 C 1.1941(14) 0.8001(14) 0.7818(19) 0.048(4) Uani 0.56(2) 1 d . U P B 1
C8 C 1.1851(17) 0.7975(16) 0.6692(18) 0.050(4) Uani 0.56(2) 1 d . U P B 1
B1 B 1.0962(10) 0.7342(10) 0.7371(12) 0.057(3) Uani 1 1 d . U . . .
C10 C 1.1382(9) 0.7164(9) 0.8392(11) 0.070(3) Uani 1 1 d . U . . .
C11 C 1.1225(8) 0.7177(8) 0.6285(10) 0.056(3) Uani 1 1 d . U . . .
C12 C 1.0592(8) 0.6394(8) 0.6827(10) 0.054(3) Uani 1 1 d . U . . .
C13 C 1.0679(9) 0.6377(9) 0.7908(11) 0.061(3) Uani 1 1 d . U . . .
C14 C 1.0898(10) 0.6176(10) 0.8391(12) 0.073(3) Uani 1 1 d . U . . .
C15 C 1.1335(10) 0.6689(10) 0.8672(12) 0.078(3) Uani 1 1 d . U . . .
C16 C 1.1100(8) 0.6704(9) 0.5920(10) 0.063(3) Uani 1 1 d . U . . .
C17 C 1.0720(9) 0.6212(9) 0.6251(10) 0.062(3) Uani 1 1 d . U . . .
C18 C 1.0809(11) 0.5625(11) 0.8477(12) 0.083(5) Uani 1 1 d . U . . .
H18 H 1.051186 0.531304 0.825714 0.100 Uiso 1 1 calc R U . . .
C19 C 1.1158(11) 0.5533(13) 0.8885(13) 0.095(5) Uani 1 1 d . U . . .
H19 H 1.115154 0.517992 0.892146 0.114 Uiso 1 1 calc R U . . .
C20 C 1.1551(12) 0.6067(12) 0.9270(14) 0.098(5) Uani 1 1 d . U . . .
H20 H 1.174200 0.601494 0.961283 0.118 Uiso 1 1 calc R U . . .
C21 C 1.1655(11) 0.6617(12) 0.9164(13) 0.092(5) Uani 1 1 d . U . . .
H21 H 1.192497 0.693157 0.940517 0.110 Uiso 1 1 calc R U . . .
C22 C 1.1337(9) 0.6653(10) 0.5328(10) 0.069(4) Uani 1 1 d . U . . .
H22 H 1.160761 0.698022 0.510336 0.083 Uiso 1 1 calc R U . . .
C23 C 1.1148(10) 0.6102(11) 0.5109(12) 0.086(5) Uani 1 1 d . U . . .
H23 H 1.130648 0.606065 0.473107 0.103 Uiso 1 1 calc R U . . .
C24 C 1.0763(10) 0.5634(11) 0.5391(12) 0.085(5) Uani 1 1 d . U . . .
H24 H 1.063042 0.526980 0.520549 0.102 Uiso 1 1 calc R U . . .
C25 C 1.0556(10) 0.5682(10) 0.5959(12) 0.072(4) Uani 1 1 d . U . . .
H25 H 1.028964 0.534116 0.616670 0.086 Uiso 1 1 calc R U . . .
C26 C 1.0267(9) 0.7559(9) 0.8028(11) 0.064(3) Uani 1 1 d . U . . .
C27 C 1.0168(8) 0.7537(8) 0.6937(10) 0.056(3) Uani 1 1 d . U . . .
C28 C 0.9133(9) 0.5976(9) 0.8126(10) 0.058(3) Uani 1 1 d . U . . .
C29 C 0.9007(8) 0.5965(8) 0.7026(10) 0.054(3) Uani 1 1 d . U . . .
C30 C 0.8867(9) 0.5826(9) 0.8684(10) 0.063(3) Uani 1 1 d . U . . .
C31 C 0.8999(9) 0.5393(9) 0.8932(11) 0.067(3) Uani 1 1 d . U . . .
C32 C 0.9297(8) 0.5287(9) 0.8497(10) 0.058(3) Uani 1 1 d . U . . .
C33 C 1.0296(8) 0.7859(8) 0.6405(10) 0.060(3) Uani 1 1 d . U . . .
C34 C 0.9354(8) 0.7397(8) 0.6551(10) 0.055(3) Uani 1 1 d . U . . .
C35 C 0.9771(8) 0.7773(8) 0.6149(10) 0.061(3) Uani 1 1 d . U . . .
C36 C 0.9834(17) 0.8121(16) 0.5690(18) 0.062(4) Uani 0.61(3) 1 d . U P C 1
H36 H 0.949212 0.807355 0.550922 0.074 Uiso 0.61(3) 1 calc R U P C 1
C37 C 1.0342(14) 0.8550(15) 0.5438(18) 0.061(4) Uani 0.61(3) 1 d . U P C 1
H37 H 1.035117 0.878452 0.510327 0.073 Uiso 0.61(3) 1 calc R U P C 1
C38 C 1.0813(15) 0.8609(15) 0.5699(17) 0.060(4) Uani 0.61(3) 1 d . U P C 1
H38 H 1.116913 0.888615 0.552841 0.072 Uiso 0.61(3) 1 calc R U P C 1
C39 C 1.0821(15) 0.8299(15) 0.6196(18) 0.059(4) Uani 0.61(3) 1 d . U P C 1
H39 H 1.116859 0.837957 0.639105 0.070 Uiso 0.61(3) 1 calc R U P C 1
C42 C 0.9535(9) 0.7426(10) 0.8626(11) 0.069(3) Uani 1 1 d . U . . .
C40 C 1.0512(19) 0.7847(19) 0.860(2) 0.069(3) Uani 0.567(16) 1 d . U P D 1
C41 C 1.0045(18) 0.7771(19) 0.897(2) 0.070(3) Uani 0.567(16) 1 d . U P D 1
C43 C 1.1067(17) 0.8224(17) 0.8808(19) 0.071(4) Uani 0.567(16) 1 d . U P D 1
H43 H 1.139509 0.830620 0.856978 0.085 Uiso 0.567(16) 1 calc R U P D 1
C44 C 1.1109(18) 0.8491(18) 0.943(2) 0.077(5) Uani 0.567(16) 1 d . U P D 1
H44 H 1.147609 0.873560 0.960379 0.092 Uiso 0.567(16) 1 calc R U P D 1
C45 C 1.0690(16) 0.8403(17) 0.9719(19) 0.072(5) Uani 0.567(16) 1 d . U P D 1
H45 H 1.076128 0.859317 1.010789 0.086 Uiso 0.567(16) 1 calc R U P D 1
C46 C 1.0120(17) 0.8064(18) 0.956(2) 0.074(4) Uani 0.567(16) 1 d . U P D 1
H46 H 0.981246 0.802722 0.980937 0.089 Uiso 0.567(16) 1 calc R U P D 1
C51 C 1.0208(17) 0.6061(17) 1.049(2) 0.066(5) Uani 0.5 1 d . U P . .
C52 C 1.0126(14) 0.6601(15) 1.0626(16) 0.073(5) Uani 0.5 1 d D U P D .
C55 C 0.9086(8) 0.5309(8) 0.6453(10) 0.056(3) Uani 1 1 d . U . . .
C59 C 0.8570(8) 0.5761(8) 0.6588(10) 0.052(3) Uani 1 1 d . U . . .
C60 C 0.8623(8) 0.5355(8) 0.6188(10) 0.057(3) Uani 1 1 d . U . . .
C61 C 0.8240(9) 0.5067(9) 0.5736(11) 0.066(4) Uani 1 1 d . U . . .
H61 H 0.830120 0.483544 0.544961 0.079 Uiso 1 1 calc R U . . .
C62 C 0.7747(9) 0.5116(8) 0.5700(9) 0.058(4) Uani 1 1 d . U . . .
H62 H 0.745171 0.488294 0.541554 0.070 Uiso 1 1 calc R U . . .
C63 C 0.7688(9) 0.5495(8) 0.6068(10) 0.059(4) Uani 1 1 d . U . . .
H63 H 0.735581 0.552789 0.602393 0.070 Uiso 1 1 calc R U . . .
C64 C 0.8081(8) 0.5822(8) 0.6490(9) 0.050(3) Uani 1 1 d . U . . .
H64 H 0.803433 0.609375 0.672437 0.060 Uiso 1 1 calc R U . . .
C65 C 0.8523(9) 0.5986(10) 0.9026(11) 0.071(4) Uani 1 1 d . U . . .
H65 H 0.843944 0.626299 0.886437 0.085 Uiso 1 1 calc R U . . .
C66 C 0.8309(10) 0.5735(10) 0.9596(12) 0.082(4) Uani 1 1 d . U . . .
H66 H 0.809057 0.586040 0.982392 0.098 Uiso 1 1 calc R U . . .
C67 C 0.8394(10) 0.5298(10) 0.9867(11) 0.082(4) Uani 1 1 d . U . . .
H67 H 0.823664 0.513314 1.025959 0.098 Uiso 1 1 calc R U . . .
C68 C 0.8721(9) 0.5130(10) 0.9523(11) 0.076(4) Uani 1 1 d . U . . .
H68 H 0.876724 0.482693 0.968050 0.091 Uiso 1 1 calc R U . . .
C70 C 1.0863(16) 0.7595(16) 0.4702(18) 0.060(7) Uani 0.5 1 d . U P . .
H70A H 1.090310 0.771697 0.426677 0.090 Uiso 0.5 1 calc R U P . .
H70B H 1.120685 0.758660 0.483141 0.090 Uiso 0.5 1 calc R U P . .
H70C H 1.081489 0.786416 0.496458 0.090 Uiso 0.5 1 calc R U P . .
C72 C 0.9595(19) 0.696(2) 0.438(2) 0.071(5) Uani 0.5 1 d . U P . .
H72A H 0.937868 0.688755 0.398593 0.086 Uiso 0.5 1 calc R U P . .
H72B H 0.976649 0.736780 0.448424 0.086 Uiso 0.5 1 calc R U P . .
N40 N 0.8988(7) 0.7376(8) 0.8690(9) 0.066(3) Uani 1 1 d . U . . .
C235 C 0.8684(8) 0.7220(8) 0.8244(9) 0.052(3) Uani 1 1 d . U . . .
N12 N 0.8827(18) 0.7067(18) 0.7708(15) 0.049(3) Uani 0.66(5) 1 d . U P E 1
N14 N 0.8774(16) 0.7298(15) 0.659(2) 0.049(4) Uani 0.66(5) 1 d . U P E 1
C236 C 0.7851(13) 0.7425(13) 0.8515(18) 0.050(4) Uani 0.66(5) 1 d . U P E 1
H236 H 0.788512 0.742843 0.895464 0.060 Uiso 0.66(5) 1 calc R U P E 1
C48 C 0.8192(14) 0.7314(14) 0.8113(16) 0.048(3) Uani 0.66(5) 1 d . U P E 1
C49 C 0.8123(14) 0.7288(15) 0.7473(16) 0.047(3) Uani 0.66(5) 1 d . U P E 1
C50 C 0.858(2) 0.720(2) 0.720(2) 0.047(3) Uani 0.66(5) 1 d . U P E 1
C74 C 0.7448(13) 0.7534(13) 0.8206(18) 0.049(4) Uani 0.66(5) 1 d . U P E 1
H74 H 0.718795 0.759097 0.845134 0.059 Uiso 0.66(5) 1 calc R U P E 1
C75 C 0.7418(13) 0.7559(13) 0.758(2) 0.049(4) Uani 0.66(5) 1 d . U P E 1
H75 H 0.715468 0.765087 0.739350 0.059 Uiso 0.66(5) 1 calc R U P E 1
C76 C 0.7765(13) 0.7453(13) 0.7211(17) 0.048(4) Uani 0.66(5) 1 d . U P E 1
H76 H 0.776011 0.749415 0.677216 0.058 Uiso 0.66(5) 1 calc R U P E 1
N16 N 0.9341(15) 0.4788(14) 0.8391(15) 0.053(3) Uani 0.71(4) 1 d . U P F 1
N30 N 0.9553(12) 0.5022(12) 0.7345(13) 0.051(3) Uani 0.71(4) 1 d . U P F 1
C54 C 0.9360(13) 0.4695(13) 0.6775(16) 0.049(3) Uani 0.71(4) 1 d . U P F 1
C56 C 0.9442(19) 0.4672(18) 0.7867(16) 0.051(3) Uani 0.71(4) 1 d . U P F 1
C57 C 0.9350(13) 0.4136(13) 0.7604(17) 0.049(3) Uani 0.71(4) 1 d . U P F 1
C58 C 0.9320(14) 0.4156(14) 0.6956(15) 0.049(3) Uani 0.71(4) 1 d . U P F 1
C77 C 0.9250(14) 0.3662(13) 0.7854(16) 0.051(4) Uani 0.71(4) 1 d . U P F 1
H77 H 0.925486 0.364380 0.829455 0.062 Uiso 0.71(4) 1 calc R U P F 1
C78 C 0.9127(13) 0.3145(13) 0.750(2) 0.051(4) Uani 0.71(4) 1 d . U P F 1
H78 H 0.906630 0.280369 0.769809 0.061 Uiso 0.71(4) 1 calc R U P F 1
C79 C 0.9109(12) 0.3196(12) 0.6862(17) 0.049(4) Uani 0.71(4) 1 d . U P F 1
H79 H 0.902360 0.287030 0.661596 0.059 Uiso 0.71(4) 1 calc R U P F 1
C80 C 0.9203(12) 0.3673(12) 0.6564(16) 0.049(4) Uani 0.71(4) 1 d . U P F 1
H80 H 0.919325 0.369200 0.612286 0.059 Uiso 0.71(4) 1 calc R U P F 1
C81 C 0.8698(17) 0.6591(17) 0.506(2) 0.064(6) Uani 0.5 1 d . U P . .
H81A H 0.842237 0.641682 0.471848 0.096 Uiso 0.5 1 calc R U P . .
H81B H 0.879101 0.698849 0.511340 0.096 Uiso 0.5 1 calc R U P . .
H81C H 0.853287 0.637798 0.544340 0.096 Uiso 0.5 1 calc R U P . .
C82 C 0.7331(9) 0.9145(10) 0.2545(13) 0.071(4) Uani 1 1 d . U . . .
C83 C 0.7481(10) 0.9662(10) 0.2874(14) 0.082(4) Uani 1 1 d . U . . .
H83 H 0.751079 0.969476 0.331378 0.099 Uiso 1 1 calc R U . . .
C84 C 0.7582(11) 1.0124(12) 0.2470(15) 0.086(5) Uani 1 1 d . U . . .
H84 H 0.767301 1.048266 0.264534 0.104 Uiso 1 1 calc R U . . .
C85 C 0.7552(11) 1.0065(11) 0.1858(14) 0.085(5) Uani 1 1 d . U . . .
H85 H 0.762163 1.038679 0.161443 0.101 Uiso 1 1 calc R U . . .
C86 C 0.7427(11) 0.9572(10) 0.1553(13) 0.082(4) Uani 1 1 d . U . . .
H86 H 0.743074 0.955942 0.111201 0.098 Uiso 1 1 calc R U . . .
C87 C 0.7293(10) 0.9081(10) 0.1910(13) 0.071(3) Uani 1 1 d . U . . .
C88 C 0.7185(9) 0.8524(9) 0.1788(11) 0.062(3) Uani 1 1 d . U . . .
C89 C 0.7252(10) 0.8599(10) 0.2833(12) 0.071(4) Uani 1 1 d . U . . .
C90 C 0.7378(8) 0.7886(9) 0.1286(10) 0.059(3) Uani 1 1 d . U . . .
C91 C 0.7469(11) 0.8032(10) 0.3420(12) 0.079(3) Uani 1 1 d . U . . .
C92 C 0.7733(8) 0.7770(9) 0.0919(11) 0.063(3) Uani 1 1 d . U . . .
C93 C 0.7844(9) 0.7374(9) 0.1295(11) 0.068(3) Uani 1 1 d . U . . .
C94 C 0.7517(9) 0.7247(9) 0.1865(11) 0.061(3) Uani 1 1 d . U . . .
C95 C 0.7580(10) 0.7326(9) 0.2918(11) 0.068(3) Uani 1 1 d . U . . .
C96 C 0.7992(10) 0.7546(10) 0.3406(12) 0.082(3) Uani 1 1 d . U . . .
C97 C 0.7892(11) 0.7985(10) 0.3715(13) 0.087(4) Uani 1 1 d . U . . .
C98 C 0.8039(9) 0.7964(10) 0.0376(12) 0.072(4) Uani 1 1 d . U . . .
H98 H 0.799449 0.823653 0.014061 0.086 Uiso 1 1 calc R U . . .
C99 C 0.8407(10) 0.7791(11) 0.0145(12) 0.086(5) Uani 1 1 d . U . . .
H99 H 0.859864 0.793386 -0.023975 0.103 Uiso 1 1 calc R U . . .
C100 C 0.8487(11) 0.7410(12) 0.0486(14) 0.090(5) Uani 1 1 d . U . . .
H100 H 0.873628 0.728751 0.032761 0.108 Uiso 1 1 calc R U . . .
C101 C 0.8240(9) 0.7208(10) 0.1011(12) 0.077(4) Uani 1 1 d . U . . .
H101 H 0.831426 0.694445 0.122445 0.092 Uiso 1 1 calc R U . . .
C102 C 0.8453(11) 0.7467(10) 0.3557(12) 0.088(4) Uani 1 1 d . U . . .
H102 H 0.851131 0.719105 0.334743 0.105 Uiso 1 1 calc R U . . .
C103 C 0.8814(12) 0.7802(11) 0.4015(13) 0.102(5) Uani 1 1 d . U . . .
H103 H 0.913564 0.776645 0.412174 0.122 Uiso 1 1 calc R U . . .
C104 C 0.8704(13) 0.8230(12) 0.4355(14) 0.105(5) Uani 1 1 d . U . . .
H104 H 0.894877 0.843541 0.469151 0.125 Uiso 1 1 calc R U . . .
C105 C 0.8297(12) 0.8333(12) 0.4213(14) 0.100(5) Uani 1 1 d . U . . .
H105 H 0.825954 0.862275 0.442164 0.120 Uiso 1 1 calc R U . . .
C106 C 0.5992(10) 0.6938(9) 0.2997(11) 0.065(3) Uani 1 1 d . U . . .
C107 C 0.5968(8) 0.6819(8) 0.1924(10) 0.054(3) Uani 1 1 d . U . . .
C108 C 0.6351(8) 0.5658(8) 0.2053(10) 0.053(2) Uani 1 1 d . U . . .
C109 C 0.6452(10) 0.5807(9) 0.3147(11) 0.066(3) Uani 1 1 d . U . . .
C110 C 0.7107(8) 0.5752(9) 0.1453(10) 0.063(3) Uani 1 1 d . U . . .
C111 C 0.6597(8) 0.5285(8) 0.1216(10) 0.058(3) Uani 1 1 d . U . . .
C112 C 0.6139(7) 0.5243(8) 0.1637(9) 0.050(3) Uani 1 1 d . U . . .
C113 C 0.7960(10) 0.6024(10) 0.1930(13) 0.075(4) Uani 1 1 d . U . . .
C115 C 0.703(2) 0.745(2) 0.552(2) 0.090(5) Uani 0.5 1 d . U P . .
H11A H 0.693612 0.760291 0.589144 0.108 Uiso 0.5 1 calc R U P G .
H11B H 0.742812 0.771580 0.539562 0.108 Uiso 0.5 1 calc R U P . .
C116 C 0.5787(17) 0.7182(18) 0.342(2) 0.068(4) Uani 0.666(17) 1 d . U P G 1
C117 C 0.5836(15) 0.7707(14) 0.3474(17) 0.069(4) Uani 0.666(17) 1 d . U P G 1
H117 H 0.609631 0.801053 0.321409 0.083 Uiso 0.666(17) 1 calc R U P G 1
C118 C 0.5509(15) 0.7808(15) 0.3912(16) 0.071(5) Uani 0.666(17) 1 d . U P G 1
H118 H 0.550569 0.815748 0.391200 0.085 Uiso 0.666(17) 1 calc R U P G 1
C119 C 0.5180(15) 0.7369(14) 0.4357(16) 0.073(4) Uani 0.666(17) 1 d . U P G 1
H119 H 0.504407 0.746451 0.471895 0.087 Uiso 0.666(17) 1 calc R U P G 1
C120 C 0.5058(16) 0.6817(15) 0.4276(17) 0.073(4) Uani 0.666(17) 1 d . U P G 1
H120 H 0.477294 0.651455 0.451792 0.088 Uiso 0.666(17) 1 calc R U P G 1
C121 C 0.5395(18) 0.6704(17) 0.3784(19) 0.067(4) Uani 0.666(17) 1 d . U P G 1
C122 C 0.5364(10) 0.6214(9) 0.3616(10) 0.067(3) Uani 1 1 d . U . . .
C123 C 0.4712(8) 0.5236(8) 0.2168(10) 0.051(3) Uani 1 1 d . U . . .
C124 C 0.5276(8) 0.5971(9) 0.1519(10) 0.056(3) Uani 1 1 d . U . . .
C125 C 0.4766(8) 0.5339(8) 0.3185(10) 0.052(3) Uani 1 1 d . U . . .
C126 C 0.4191(9) 0.4848(8) 0.3072(10) 0.055(3) Uani 1 1 d . U . . .
C127 C 0.4158(9) 0.4772(8) 0.2419(10) 0.055(3) Uani 1 1 d . U . . .
C128 C 0.5766(8) 0.6943(9) 0.1347(10) 0.061(3) Uani 1 1 d . U . . .
C129 C 0.5349(8) 0.6419(9) 0.1098(10) 0.061(3) Uani 1 1 d . U . . .
C130 C 0.5055(10) 0.6394(11) 0.0543(11) 0.078(5) Uani 1 1 d . U . . .
H130 H 0.477064 0.603763 0.038058 0.094 Uiso 1 1 calc R U . . .
C131 C 0.5178(11) 0.6852(11) 0.0271(12) 0.094(5) Uani 1 1 d . U . . .
H131 H 0.499188 0.683314 -0.011113 0.113 Uiso 1 1 calc R U . . .
C132 C 0.5594(11) 0.7414(11) 0.0516(13) 0.092(5) Uani 1 1 d . U . . .
H132 H 0.566235 0.775288 0.030742 0.111 Uiso 1 1 calc R U . . .
C133 C 0.5883(10) 0.7445(10) 0.1051(12) 0.081(4) Uani 1 1 d . U . . .
H133 H 0.615842 0.780453 0.121688 0.097 Uiso 1 1 calc R U . . .
C138 C 0.6316(10) 0.5532(10) 0.3716(11) 0.073(3) Uani 1 1 d . U . . .
C139 C 0.5797(11) 0.5167(10) 0.4023(11) 0.077(4) Uani 1 1 d . U . . .
H139 H 0.544140 0.507852 0.384117 0.092 Uiso 1 1 calc R U . . .
C140 C 0.5816(12) 0.4951(11) 0.4570(12) 0.086(5) Uani 1 1 d . U . . .
H140 H 0.547017 0.471709 0.478876 0.103 Uiso 1 1 calc R U . . .
C141 C 0.6365(11) 0.5069(10) 0.4845(12) 0.086(5) Uani 1 1 d . U . . .
H141 H 0.636603 0.492050 0.524491 0.103 Uiso 1 1 calc R U . . .
C142 C 0.6878(11) 0.5389(10) 0.4534(11) 0.085(4) Uani 1 1 d . U . . .
H142 H 0.722317 0.542853 0.469535 0.102 Uiso 1 1 calc R U . . .
C143 C 0.6874(10) 0.5646(10) 0.3989(12) 0.079(3) Uani 1 1 d . U . . .
C144 C 0.7302(10) 0.5971(9) 0.3564(11) 0.074(3) Uani 1 1 d . U . . .
C145 C 0.6506(8) 0.4876(8) 0.0786(10) 0.061(4) Uani 1 1 d . U . . .
H145 H 0.681415 0.490759 0.054248 0.074 Uiso 1 1 calc R U . . .
C146 C 0.5981(8) 0.4430(9) 0.0712(10) 0.062(4) Uani 1 1 d . U . . .
H146 H 0.591895 0.414672 0.041211 0.074 Uiso 1 1 calc R U . . .
C147 C 0.5535(9) 0.4373(9) 0.1054(10) 0.060(4) Uani 1 1 d . U . . .
H147 H 0.516772 0.404997 0.098293 0.071 Uiso 1 1 calc R U . . .
C148 C 0.5589(7) 0.4753(8) 0.1491(9) 0.049(3) Uani 1 1 d . U . . .
H148 H 0.525875 0.469918 0.170721 0.059 Uiso 1 1 calc R U . . .
C149 C 0.8062(11) 0.6123(10) 0.2959(14) 0.077(4) Uani 1 1 d . U . . .
C150 C 0.8471(10) 0.5959(10) 0.2011(13) 0.083(4) Uani 1 1 d . U . . .
C151 C 0.8529(11) 0.6009(11) 0.2714(14) 0.083(4) Uani 1 1 d . U . . .
C152 C 0.3714(9) 0.4501(9) 0.3433(11) 0.063(4) Uani 1 1 d . U . . .
H152 H 0.372116 0.453489 0.387351 0.076 Uiso 1 1 calc R U . . .
C153 C 0.3218(10) 0.4093(10) 0.3113(12) 0.070(4) Uani 1 1 d . U . . .
H153 H 0.289141 0.383368 0.334590 0.084 Uiso 1 1 calc R U . . .
C154 C 0.3196(10) 0.4062(11) 0.2494(13) 0.075(5) Uani 1 1 d . U . . .
H154 H 0.284449 0.378650 0.231232 0.090 Uiso 1 1 calc R U . . .
C155 C 0.3619(9) 0.4382(9) 0.2110(12) 0.065(4) Uani 1 1 d . U . . .
H155 H 0.357708 0.435897 0.167089 0.078 Uiso 1 1 calc R U . . .
C156 C 0.8825(11) 0.5835(11) 0.1676(14) 0.091(4) Uani 1 1 d . U . . .
H156 H 0.878420 0.580199 0.123638 0.109 Uiso 1 1 calc R U . . .
C157 C 0.9238(12) 0.5758(11) 0.1953(16) 0.100(5) Uani 1 1 d . U . . .
H157 H 0.949165 0.567841 0.172414 0.120 Uiso 1 1 calc R U . . .
C158 C 0.9254(13) 0.5801(12) 0.2547(16) 0.097(5) Uani 1 1 d . U . . .
H158 H 0.953619 0.573965 0.273647 0.116 Uiso 1 1 calc R U . . .
C159 C 0.8920(11) 0.5926(12) 0.2991(14) 0.094(5) Uani 1 1 d . U . . .
H159 H 0.897695 0.594553 0.342794 0.113 Uiso 1 1 calc R U . . .
C161 C 0.5851(18) 0.218(2) 0.686(2) 0.091(6) Uani 0.5 1 d D U P . .
H16A H 0.552775 0.219268 0.706490 0.110 Uiso 0.5 1 calc R U P . .
H16B H 0.572693 0.179907 0.668340 0.110 Uiso 0.5 1 calc R U P . .
C162 C 0.6242(19) 0.2750(14) 0.634(2) 0.088(7) Uani 0.5 1 d D U P . .
C164 C 0.7914(14) 0.370(2) 0.898(2) 0.089(6) Uani 0.5 1 d D U P . .
C166 C 0.7275(12) 0.345(2) 0.915(3) 0.097(6) Uani 0.5 1 d D U P . .
C167 C 0.6394(10) 0.1940(10) 0.7523(12) 0.085(4) Uani 1 1 d . U . . .
H16C H 0.656683 0.177419 0.724594 0.102 Uiso 1 1 calc R U . . .
H16D H 0.602073 0.163918 0.768449 0.102 Uiso 1 1 calc R U . . .
C168 C 0.7301(17) 0.2423(18) 0.789(2) 0.072(5) Uani 0.5 1 d . U P . .
H16E H 0.742942 0.260645 0.748071 0.087 Uiso 0.5 1 calc R U P . .
H16F H 0.731910 0.206640 0.790070 0.087 Uiso 0.5 1 calc R U P . .
C169 C 0.7689(18) 0.2858(18) 0.845(2) 0.072(5) Uani 0.5 1 d . U P . .
H16G H 0.753759 0.267224 0.886004 0.086 Uiso 0.5 1 calc R U P . .
H16H H 0.808689 0.293498 0.841644 0.086 Uiso 0.5 1 calc R U P . .
C173 C 0.822(2) 0.399(2) 0.292(2) 0.087(5) Uani 0.5 1 d D U P . .
C175 C 0.818(2) 0.430(2) 0.349(2) 0.085(6) Uani 0.5 1 d D U P . .
C176 C 0.995(3) 0.944(2) 0.085(3) 0.116(7) Uani 0.5 1 d D U P . .
C180 C 0.947(3) 0.877(3) 0.200(3) 0.121(6) Uani 0.5 1 d . U P . .
C181 C 1.4646(18) 0.7106(19) 0.600(2) 0.079(8) Uani 0.5 1 d . U P A .
H18A H 1.450857 0.689266 0.561201 0.119 Uiso 0.5 1 calc R U P . .
H18B H 1.505642 0.724794 0.604553 0.119 Uiso 0.5 1 calc R U P . .
H18C H 1.457770 0.742979 0.599846 0.119 Uiso 0.5 1 calc R U P . .
C182 C 1.4030(17) 0.5839(17) 0.6899(19) 0.071(5) Uani 0.5 1 d D U P A .
H18D H 1.403793 0.548091 0.682673 0.085 Uiso 0.5 1 calc R U P . .
H18E H 1.423581 0.601347 0.729062 0.085 Uiso 0.5 1 calc R U P . .
C183 C 1.4305(17) 0.6242(16) 0.6367(18) 0.070(6) Uani 0.5 1 d D U P A .
H18F H 1.468418 0.628155 0.628686 0.083 Uiso 0.5 1 calc R U P . .
H18G H 1.406913 0.607652 0.598993 0.083 Uiso 0.5 1 calc R U P . .
C184 C 1.319(3) 0.694(3) 0.881(2) 0.134(8) Uani 0.5 1 d D U P A .
C185 C 1.306(2) 0.5254(18) 0.729(2) 0.075(6) Uani 0.5 1 d . U P A .
H18H H 1.268159 0.517409 0.717036 0.112 Uiso 0.5 1 calc R U P H 2
H18I H 1.312327 0.534882 0.773560 0.112 Uiso 0.5 1 calc R U P H 2
H18J H 1.310058 0.491677 0.721236 0.112 Uiso 0.5 1 calc R U P H 2
C300 C 0.656(2) 0.7428(19) -0.030(2) 0.086(9) Uani 0.5 1 d . U P . .
H30A H 0.671111 0.749055 -0.072538 0.129 Uiso 0.5 1 calc R U P . .
H30B H 0.684621 0.772200 -0.002545 0.129 Uiso 0.5 1 calc R U P . .
H30C H 0.620999 0.744891 -0.029235 0.129 Uiso 0.5 1 calc R U P . .
C301 C 0.6205(19) 0.6395(13) -0.0596(15) 0.079(6) Uani 0.5 1 d D U P . .
H30D H 0.651146 0.640764 -0.086053 0.095 Uiso 0.5 1 calc R U P . .
H30E H 0.590910 0.640490 -0.085837 0.095 Uiso 0.5 1 calc R U P . .
C302 C 0.6973(16) 0.5960(19) -0.035(2) 0.082(7) Uani 0.5 1 d D U P . .
H30F H 0.701001 0.616551 -0.074034 0.124 Uiso 0.5 1 calc R U P . .
H30G H 0.698579 0.561121 -0.044216 0.124 Uiso 0.5 1 calc R U P . .
H30H H 0.728904 0.620474 -0.007262 0.124 Uiso 0.5 1 calc R U P . .
C303 C 0.5948(18) 0.5875(16) -0.0124(19) 0.068(4) Uani 0.5 1 d D U P . .
H30I H 0.582698 0.597332 0.026930 0.081 Uiso 0.5 1 calc R U P . .
H30J H 0.562103 0.553103 -0.030735 0.081 Uiso 0.5 1 calc R U P . .
C304 C 0.753(2) 0.673(2) 0.506(2) 0.085(5) Uani 0.5 1 d . U P G .
C305 C 0.670(2) 0.791(2) 0.493(2) 0.092(9) Uani 0.5 1 d . U P . .
H30K H 0.700487 0.813630 0.463192 0.138 Uiso 0.5 1 calc R U P G .
H30L H 0.675118 0.813801 0.530394 0.138 Uiso 0.5 1 calc R U P . .
H30M H 0.632809 0.781558 0.473607 0.138 Uiso 0.5 1 calc R U P . .
C306 C 0.414(3) 0.757(3) 0.080(3) 0.113(12) Uani 0.5 1 d . U P A .
C307 C 0.442(2) 0.6780(19) 0.213(2) 0.097(6) Uani 0.5 1 d D U P . .
C308 C 0.419(2) 0.651(2) 0.276(2) 0.101(6) Uani 0.5 1 d D U P A .
C309 C 0.351(2) 0.622(3) 0.377(2) 0.107(8) Uani 0.5 1 d D U P A .
C311 C 1.0083(17) 0.5371(17) 0.995(2) 0.071(7) Uani 0.5 1 d . U P . .
C312 C 0.9948(17) 0.685(2) 0.431(2) 0.072(5) Uani 0.5 1 d . U P . .
H31A H 1.014985 0.702477 0.392103 0.086 Uiso 0.5 1 calc R U P . .
H31B H 0.976415 0.642793 0.426029 0.086 Uiso 0.5 1 calc R U P . .
C313 C 1.313(3) 0.758(3) 0.836(3) 0.128(10) Uani 0.5 1 d . U P A .
C314 C 0.7802(13) 0.3069(14) 0.2552(15) 0.106(5) Uani 1 1 d . U . . .
C318 C 0.7234(18) 0.3866(18) 0.405(2) 0.088(7) Uani 0.5 1 d D U P . .
C319 C 0.456(2) 0.7398(18) 0.204(3) 0.100(7) Uani 0.5 1 d D U P A .
C320 C 1.074(2) 0.928(2) 0.711(3) 0.129(6) Uani 0.5 1 d D U P A .
C321 C 1.088(3) 0.986(2) 0.684(3) 0.131(7) Uani 0.5 1 d D U P A .
C322 C 0.856(3) 0.879(2) 0.230(3) 0.121(7) Uani 0.5 1 d D U P . .
H32G H 0.837234 0.840301 0.248237 0.145 Uiso 0.5 1 calc R U P . .
H32H H 0.828718 0.883042 0.202543 0.145 Uiso 0.5 1 calc R U P . .
C323 C 0.967(3) 0.874(3) 0.120(3) 0.116(6) Uani 0.5 1 d . U P . .
C324 C 0.924(3) 0.844(3) 0.169(3) 0.119(6) Uani 0.5 1 d . U P . .
C325 C 0.880(2) 0.926(2) 0.281(3) 0.128(7) Uani 0.5 1 d D U P . .
C326 C 1.043(2) 0.923(2) 0.763(4) 0.127(6) Uani 0.5 1 d D U P A .
C327 C 1.084(3) 1.017(3) 0.563(3) 0.154(13) Uani 0.5 1 d D U P A .
H32A H 1.112709 1.045109 0.534918 0.232 Uiso 0.25 1 calc R U P . .
H32B H 1.069443 0.978370 0.545320 0.232 Uiso 0.25 1 calc R U P . .
H32C H 1.052816 1.024340 0.568931 0.232 Uiso 0.25 1 calc R U P . .
H32D H 1.043936 0.986770 0.564528 0.232 Uiso 0.25 1 calc R U P . .
H32E H 1.087202 1.053509 0.554126 0.232 Uiso 0.25 1 calc R U P . .
H32F H 1.103830 1.007539 0.530515 0.232 Uiso 0.25 1 calc R U P . .
C329 C 0.922(3) 0.922(2) 0.894(2) 0.132(6) Uani 0.5 1 d D U P A .
C360 C 0.939(3) 0.877(3) 0.886(2) 0.133(6) Uani 0.5 1 d D U P A .
C361 C 0.962(2) 0.868(2) 0.785(3) 0.130(6) Uani 0.5 1 d D U P A .
C362 C 0.985(3) 0.927(3) 0.927(3) 0.133(7) Uani 0.5 1 d . U P A .
C366 C 1.318(4) 0.690(3) 0.952(2) 0.149(9) Uani 0.5 1 d D U P . .
C367 C 1.333333 0.666667 1.080(3) 0.153(9) Uani 0.5 3 d DS TU P . .
C229 C 0.593(3) 0.716(3) 0.353(4) 0.071(3) Uani 0.334(17) 1 d . U P G 2
C230 C 0.617(3) 0.776(3) 0.383(3) 0.072(4) Uani 0.334(17) 1 d . U P G 2
H230 H 0.646494 0.809753 0.363065 0.086 Uiso 0.334(17) 1 calc R U P G 2
C231 C 0.594(3) 0.779(3) 0.438(3) 0.072(5) Uani 0.334(17) 1 d . U P G 2
H231 H 0.604148 0.815603 0.453268 0.087 Uiso 0.334(17) 1 calc R U P G 2
C232 C 0.560(3) 0.736(3) 0.471(3) 0.073(5) Uani 0.334(17) 1 d . U P G 2
H232 H 0.547850 0.742899 0.509919 0.087 Uiso 0.334(17) 1 calc R U P G 2
C233 C 0.542(3) 0.684(3) 0.455(3) 0.078(5) Uani 0.334(17) 1 d . U P G 2
H233 H 0.521019 0.654216 0.484704 0.093 Uiso 0.334(17) 1 calc R U P G 2
C234 C 0.552(4) 0.667(4) 0.391(4) 0.073(3) Uani 0.334(17) 1 d . U P G 2
C225 C 1.071(2) 0.814(2) 0.591(3) 0.062(5) Uani 0.39(3) 1 d . U P C 2
H225 H 1.105538 0.813437 0.596581 0.074 Uiso 0.39(3) 1 calc R U P C 2
C226 C 1.070(2) 0.840(2) 0.541(3) 0.064(5) Uani 0.39(3) 1 d . U P C 2
H226 H 1.103776 0.865258 0.519258 0.076 Uiso 0.39(3) 1 calc R U P C 2
C227 C 1.017(2) 0.829(2) 0.520(3) 0.063(5) Uani 0.39(3) 1 d . U P C 2
H227 H 1.016087 0.843809 0.480165 0.076 Uiso 0.39(3) 1 calc R U P C 2
C228 C 0.971(3) 0.801(2) 0.547(3) 0.063(5) Uani 0.39(3) 1 d . U P C 2
H228 H 0.935627 0.793191 0.529902 0.076 Uiso 0.39(3) 1 calc R U P C 2
N37 N 0.886(3) 0.739(3) 0.657(5) 0.051(4) Uani 0.34(5) 1 d . U P E 2
N38 N 0.880(4) 0.707(4) 0.757(3) 0.049(3) Uani 0.34(5) 1 d . U P E 2
C219 C 0.854(5) 0.719(5) 0.709(4) 0.047(3) Uani 0.34(5) 1 d . U P E 2
C221 C 0.8130(19) 0.729(2) 0.731(2) 0.048(3) Uani 0.34(5) 1 d G U P E 2
C222 C 0.7754(18) 0.741(2) 0.699(2) 0.046(4) Uani 0.34(5) 1 d G U P E 2
H222 H 0.774158 0.739370 0.654473 0.056 Uiso 0.34(5) 1 calc R U P E 2
C223 C 0.7396(16) 0.7549(18) 0.731(3) 0.047(4) Uani 0.34(5) 1 d G U P E 2
H223 H 0.713864 0.762920 0.709086 0.056 Uiso 0.34(5) 1 calc R U P E 2
C224 C 0.7413(17) 0.7572(18) 0.796(3) 0.050(4) Uani 0.34(5) 1 d G U P E 2
H224 H 0.716854 0.766736 0.817827 0.060 Uiso 0.34(5) 1 calc R U P E 2
C47 C 0.7789(19) 0.745(2) 0.828(2) 0.050(4) Uani 0.34(5) 1 d G U P E 2
H47 H 0.780139 0.747003 0.871957 0.060 Uiso 0.34(5) 1 calc R U P E 2
C73 C 0.8147(19) 0.731(2) 0.795(2) 0.048(4) Uani 0.34(5) 1 d G U P E 2
C213 C 1.001(2) 0.794(2) 0.879(3) 0.069(4) Uani 0.433(16) 1 d . U P D 2
C214 C 1.015(2) 0.839(2) 0.926(2) 0.069(5) Uani 0.433(16) 1 d . U P D 2
H214 H 0.984815 0.836114 0.950996 0.083 Uiso 0.433(16) 1 calc R U P D 2
C215 C 1.067(2) 0.882(2) 0.938(2) 0.072(5) Uani 0.433(16) 1 d . U P D 2
H215 H 1.073184 0.908144 0.971609 0.086 Uiso 0.433(16) 1 calc R U P D 2
C216 C 1.115(2) 0.889(2) 0.897(2) 0.074(5) Uani 0.433(16) 1 d . U P D 2
H216 H 1.152467 0.919440 0.903773 0.089 Uiso 0.433(16) 1 calc R U P D 2
C217 C 1.103(2) 0.853(2) 0.849(2) 0.069(5) Uani 0.433(16) 1 d . U P D 2
H217 H 1.132481 0.859817 0.819718 0.083 Uiso 0.433(16) 1 calc R U P D 2
C218 C 1.049(2) 0.804(2) 0.843(3) 0.070(4) Uani 0.433(16) 1 d . U P D 2
N39 N 1.160(2) 0.779(2) 0.745(2) 0.053(4) Uani 0.44(2) 1 d . U P B 2
C197 C 1.1933(19) 0.800(2) 0.812(3) 0.050(4) Uani 0.44(2) 1 d . U P B 2
C206 C 1.247(2) 0.848(2) 0.775(2) 0.046(4) Uani 0.44(2) 1 d . U P B 2
C207 C 1.2461(19) 0.8487(19) 0.718(3) 0.046(4) Uani 0.44(2) 1 d . U P B 2
C208 C 1.192(2) 0.803(2) 0.692(2) 0.047(4) Uani 0.44(2) 1 d . U P B 2
C209 C 1.2982(19) 0.8812(19) 0.808(2) 0.048(5) Uani 0.44(2) 1 d . U P B 2
H209 H 1.301026 0.878130 0.851415 0.058 Uiso 0.44(2) 1 calc R U P B 2
C210 C 1.2978(19) 0.8900(18) 0.679(2) 0.049(4) Uani 0.44(2) 1 d . U P B 2
H210 H 1.295299 0.891001 0.635150 0.059 Uiso 0.44(2) 1 calc R U P B 2
C211 C 1.345(2) 0.923(2) 0.707(3) 0.049(4) Uani 0.44(2) 1 d . U P B 2
H211 H 1.377442 0.949437 0.684258 0.059 Uiso 0.44(2) 1 calc R U P B 2
C212 C 1.3468(18) 0.9208(18) 0.769(2) 0.049(5) Uani 0.44(2) 1 d . U P B 2
H212 H 1.381809 0.946109 0.789250 0.059 Uiso 0.44(2) 1 calc R U P B 2
N35 N 0.938(4) 0.486(3) 0.855(3) 0.054(4) Uani 0.29(4) 1 d . U P F 2
N36 N 0.958(3) 0.509(3) 0.756(3) 0.052(3) Uani 0.29(4) 1 d . U P F 2
C198 C 0.947(5) 0.472(4) 0.801(4) 0.051(4) Uani 0.29(4) 1 d . U P F 2
C199 C 0.937(3) 0.419(3) 0.785(4) 0.051(4) Uani 0.29(4) 1 d . U P F 2
C200 C 0.932(3) 0.418(3) 0.717(4) 0.051(4) Uani 0.29(4) 1 d . U P F 2
C201 C 0.936(3) 0.469(3) 0.701(4) 0.050(4) Uani 0.29(4) 1 d . U P F 2
C202 C 0.929(3) 0.369(3) 0.809(4) 0.050(4) Uani 0.29(4) 1 d . U P F 2
H202 H 0.931613 0.367630 0.853025 0.060 Uiso 0.29(4) 1 calc R U P F 2
C203 C 0.918(3) 0.320(3) 0.777(4) 0.051(5) Uani 0.29(4) 1 d . U P F 2
H203 H 0.916185 0.288970 0.798471 0.061 Uiso 0.29(4) 1 calc R U P F 2
C204 C 0.909(3) 0.317(3) 0.717(5) 0.050(4) Uani 0.29(4) 1 d . U P F 2
H204 H 0.898435 0.282629 0.695010 0.061 Uiso 0.29(4) 1 calc R U P F 2
C205 C 0.915(3) 0.370(3) 0.683(4) 0.051(4) Uani 0.29(4) 1 d . U P F 2
H205 H 0.907406 0.369155 0.639452 0.061 Uiso 0.29(4) 1 calc R U P F 2
N1 N 1.0891(6) 0.6978(7) 0.6825(8) 0.053(2) Uani 1 1 d . U . . .
B2 B 0.9290(10) 0.6921(10) 0.7591(12) 0.052(3) Uani 1 1 d . U . . .
B3 B 0.9687(10) 0.5657(10) 0.7426(11) 0.052(3) Uani 1 1 d . U . . .
B4 B 0.6922(11) 0.7609(11) 0.2370(13) 0.059(3) Uani 1 1 d . U . . .
B5 B 0.5682(10) 0.5948(10) 0.2587(11) 0.053(3) Uani 1 1 d . U . . .
B7 B 0.7321(11) 0.6336(11) 0.2471(13) 0.067(3) Uani 1 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O2 K1 N2 121.9(7) . . ?
O2 K1 N7 159.2(7) . . ?
O2 K1 C13 105.5(7) . . ?
O2 K1 C26 174.9(7) . . ?
O2 K1 C28 109.8(7) . . ?
O2 K1 C30 92.1(7) . . ?
O2 K1 C31 68.3(7) . . ?
O2 K1 C40 149.2(11) . . ?
O2 K1 C41 136.0(10) . . ?
O8 K1 O2 61.9(8) . . ?
O8 K1 N2 120.9(7) . . ?
O8 K1 N7 119.0(7) . . ?
O8 K1 C13 133.8(8) . . ?
O8 K1 C26 113.8(7) . . ?
O8 K1 C28 150.6(8) . . ?
O8 K1 C30 125.9(8) . . ?
O8 K1 C31 119.1(8) . . ?
O8 K1 C40 87.6(10) . . ?
O8 K1 C41 78.9(10) . . ?
O18 K1 O2 49.0(9) . . ?
O18 K1 O8 45.9(9) . . ?
O18 K1 N2 165.1(7) . . ?
O18 K1 N7 114.9(7) . . ?
O18 K1 C13 153.8(8) . . ?
O18 K1 C26 130.5(8) . . ?
O18 K1 C28 106.1(8) . . ?
O18 K1 C30 80.7(8) . . ?
O18 K1 C31 75.4(8) . . ?
O18 K1 C40 113.0(11) . . ?
O18 K1 C41 89.9(11) . . ?
N2 K1 N7 76.6(5) . . ?
N2 K1 C13 25.3(5) . . ?
N2 K1 C26 57.2(5) . . ?
N2 K1 C31 114.0(6) . . ?
N2 K1 C41 94.2(9) . . ?
N7 K1 C26 24.3(5) . . ?
N7 K1 C31 96.6(5) . . ?
N7 K1 C41 40.2(9) . . ?
C13 K1 N7 88.3(5) . . ?
C13 K1 C26 75.5(6) . . ?
C13 K1 C31 90.7(6) . . ?
C13 K1 C41 116.2(9) . . ?
C26 K1 C31 116.7(6) . . ?
C28 K1 N2 87.9(5) . . ?
C28 K1 N7 58.2(5) . . ?
C28 K1 C13 74.9(6) . . ?
C28 K1 C26 75.2(6) . . ?
C28 K1 C31 41.8(6) . . ?
C28 K1 C41 94.3(9) . . ?
C30 K1 N2 113.1(6) . . ?
C30 K1 N7 70.5(5) . . ?
C30 K1 C13 97.1(6) . . ?
C30 K1 C26 92.7(6) . . ?
C30 K1 C28 25.5(5) . . ?
C30 K1 C31 27.2(6) . . ?
C30 K1 C41 95.8(9) . . ?
C40 K1 N2 68.6(9) . . ?
C40 K1 N7 41.4(9) . . ?
C40 K1 C13 92.3(9) . . ?
C40 K1 C26 26.2(9) . . ?
C40 K1 C28 98.9(9) . . ?
C40 K1 C30 110.8(10) . . ?
C40 K1 C31 137.7(10) . . ?
C40 K1 C41 26.3(11) . . ?
C41 K1 C26 41.7(9) . . ?
C41 K1 C31 121.9(9) . . ?
O24 K2 O26 62.0(8) . . ?
O24 K2 N8 106.9(7) . . ?
O24 K2 N10 120.3(7) . . ?
O24 K2 C12 166.0(8) . . ?
O24 K2 C17 140.7(8) . . ?
O24 K2 C27 119.6(7) . . ?
O24 K2 C29 107.9(7) . . ?
O24 K2 C33 101.6(7) . . ?
O24 K2 C35 79.1(7) . . ?
O24 K2 C55 102.3(7) . . ?
O24 K2 N1 162.6(7) . . ?
O26 K2 N8 130.5(7) . . ?
O26 K2 N10 153.2(7) . . ?
O26 K2 C12 112.7(7) . . ?
O26 K2 C17 91.3(7) . . ?
O26 K2 C27 115.4(7) . . ?
O26 K2 C29 168.2(7) . . ?
O26 K2 C33 92.0(7) . . ?
O26 K2 C35 91.8(7) . . ?
O26 K2 C55 132.0(7) . . ?
O26 K2 N1 103.1(7) . . ?
N8 K2 C17 112.4(5) . . ?
N8 K2 C29 56.3(5) . . ?
N8 K2 C33 40.4(5) . . ?
N8 K2 C35 40.3(5) . . ?
N8 K2 C55 97.0(5) . . ?
N8 K2 N1 75.1(4) . . ?
N10 K2 N8 75.9(4) . . ?
N10 K2 C12 57.9(5) . . ?
N10 K2 C17 71.0(5) . . ?
N10 K2 C27 87.4(5) . . ?
N10 K2 C29 25.1(4) . . ?
N10 K2 C33 112.3(5) . . ?
N10 K2 C35 115.0(5) . . ?
N10 K2 C55 24.6(5) . . ?
N10 K2 N1 77.1(4) . . ?
C12 K2 N8 86.4(5) . . ?
C12 K2 C17 26.3(5) . . ?
C12 K2 C27 74.4(5) . . ?
C12 K2 C29 75.6(5) . . ?
C12 K2 C33 91.3(5) . . ?
C12 K2 C35 114.7(5) . . ?
C12 K2 C55 71.1(5) . . ?
C12 K2 N1 24.8(4) . . ?
C17 K2 C35 133.4(6) . . ?
C17 K2 C55 73.4(5) . . ?
C17 K2 N1 41.1(5) . . ?
C27 K2 N8 24.2(4) . . ?
C27 K2 C17 97.3(5) . . ?
C27 K2 C29 74.4(5) . . ?
C27 K2 C33 25.1(5) . . ?
C27 K2 C35 41.0(5) . . ?
C27 K2 C55 111.7(5) . . ?
C27 K2 N1 56.5(4) . . ?
C29 K2 C17 94.1(5) . . ?
C29 K2 C33 96.3(5) . . ?
C29 K2 C35 92.1(5) . . ?
C29 K2 C55 41.0(5) . . ?
C29 K2 N1 87.8(5) . . ?
C33 K2 C17 108.0(5) . . ?
C33 K2 C35 25.5(5) . . ?
C33 K2 C55 136.0(6) . . ?
C33 K2 N1 68.3(5) . . ?
C55 K2 C35 131.9(5) . . ?
N1 K2 C35 93.2(5) . . ?
N1 K2 C55 94.5(5) . . ?
O29 K3 O30 67.0(9) . . ?
O29 K3 N19 106.4(7) . . ?
O29 K3 N25 117.1(9) . . ?
O29 K3 N26 166.6(9) . . ?
O29 K3 C93 103.3(9) . . ?
O29 K3 C94 121.7(8) . . ?
O29 K3 C107 105.8(8) . . ?
O29 K3 C108 161.7(8) . . ?
O29 K3 C110 141.2(9) . . ?
O29 K3 C128 79.4(9) . . ?
O29 K3 C303 51.8(9) . . ?
O30 K3 N19 159.0(7) . . ?
O30 K3 N25 125.6(7) . . ?
O30 K3 N26 104.5(7) . . ?
O30 K3 C93 118.7(7) . . ?
O30 K3 C94 140.8(8) . . ?
O30 K3 C107 144.6(7) . . ?
O30 K3 C108 102.4(7) . . ?
O30 K3 C110 80.4(8) . . ?
O30 K3 C128 126.6(8) . . ?
O30 K3 C303 28.7(10) . . ?
N25 K3 N19 75.4(4) . . ?
N25 K3 C93 112.9(5) . . ?
N25 K3 C110 98.6(5) . . ?
N26 K3 N19 77.7(5) . . ?
N26 K3 N25 76.2(5) . . ?
N26 K3 C93 70.9(5) . . ?
N26 K3 C94 57.8(5) . . ?
N26 K3 C107 87.2(5) . . ?
N26 K3 C108 25.9(5) . . ?
N26 K3 C110 26.3(5) . . ?
N26 K3 C128 113.8(5) . . ?
C93 K3 N19 41.6(5) . . ?
C93 K3 C110 73.7(5) . . ?
C94 K3 N19 25.3(5) . . ?
C94 K3 N25 86.7(5) . . ?
C94 K3 C93 26.5(6) . . ?
C94 K3 C108 76.1(6) . . ?
C94 K3 C110 72.3(5) . . ?
C94 K3 C128 92.0(6) . . ?
C107 K3 N19 55.5(5) . . ?
C107 K3 N25 24.7(4) . . ?
C107 K3 C93 96.7(6) . . ?
C107 K3 C94 73.6(6) . . ?
C107 K3 C108 73.9(5) . . ?
C107 K3 C110 113.0(5) . . ?
C107 K3 C128 26.9(5) . . ?
C108 K3 N19 88.6(5) . . ?
C108 K3 N25 55.9(4) . . ?
C108 K3 C93 94.8(6) . . ?
C108 K3 C110 42.9(5) . . ?
C110 K3 N19 96.4(5) . . ?
C128 K3 N19 68.5(5) . . ?
C128 K3 N25 41.5(5) . . ?
C128 K3 C93 108.4(6) . . ?
C128 K3 C108 97.1(5) . . ?
C128 K3 C110 139.0(6) . . ?
C303 K3 N19 157.3(8) . . ?
C303 K3 N25 107.0(9) . . ?
C303 K3 N26 125.0(8) . . ?
C303 K3 C93 139.9(10) . . ?
C303 K3 C94 166.3(10) . . ?
C303 K3 C107 118.8(10) . . ?
C303 K3 C108 111.7(8) . . ?
C303 K3 C110 105.4(9) . . ?
C303 K3 C128 97.9(10) . . ?
O6 K4 N20 109.0(8) . . ?
O6 K4 N24 117.1(8) . . ?
O6 K4 N41 165.9(8) . . ?
O6 K4 C95 124.5(9) . . ?
O6 K4 C106 105.5(8) . . ?
O6 K4 C109 162.0(9) . . ?
O6 K4 C138 138.1(9) . . ?
O6 K4 C143 130.7(9) . . ?
O6 K4 C304 73.3(13) . . ?
O6 K4 C229 81.4(17) . . ?
O6 K4 C234 77.8(17) . . ?
N20 K4 N41 74.8(5) . . ?
N20 K4 C95 25.1(5) . . ?
N20 K4 C106 56.6(5) . . ?
N20 K4 C143 114.0(6) . . ?
N24 K4 N20 75.4(5) . . ?
N24 K4 N41 77.0(5) . . ?
N24 K4 C95 86.3(5) . . ?
N24 K4 C106 24.8(5) . . ?
N24 K4 C143 96.4(5) . . ?
N24 K4 C234 40.0(16) . . ?
N41 K4 C106 88.0(5) . . ?
N41 K4 C143 40.5(6) . . ?
C95 K4 N41 54.5(5) . . ?
C95 K4 C106 74.6(6) . . ?
C95 K4 C143 90.6(6) . . ?
C106 K4 C143 117.6(6) . . ?
C109 K4 N20 86.8(6) . . ?
C109 K4 N24 57.3(5) . . ?
C109 K4 N41 25.8(5) . . ?
C109 K4 C95 73.4(6) . . ?
C109 K4 C106 75.5(6) . . ?
C109 K4 C138 26.2(6) . . ?
C109 K4 C143 42.5(6) . . ?
C109 K4 C304 107.1(11) . . ?
C109 K4 C229 97.4(16) . . ?
C109 K4 C234 92.8(16) . . ?
C138 K4 N20 112.7(6) . . ?
C138 K4 N24 70.3(5) . . ?
C138 K4 N41 42.3(6) . . ?
C138 K4 C95 96.3(6) . . ?
C138 K4 C106 93.4(6) . . ?
C138 K4 C143 27.2(6) . . ?
C138 K4 C304 90.4(11) . . ?
C138 K4 C229 110.0(16) . . ?
C138 K4 C234 94.4(16) . . ?
C304 K4 N20 119.0(11) . . ?
C304 K4 N24 159.8(10) . . ?
C304 K4 N41 92.8(11) . . ?
C304 K4 C95 102.0(11) . . ?
C304 K4 C106 175.1(11) . . ?
C304 K4 C143 65.5(11) . . ?
C304 K4 C234 141.4(19) . . ?
C229 K4 N20 67.7(16) . . ?
C229 K4 N24 40.8(15) . . ?
C229 K4 N41 112.3(16) . . ?
C229 K4 C95 90.8(16) . . ?
C229 K4 C106 24.4(16) . . ?
C229 K4 C143 136.9(16) . . ?
C229 K4 C304 154.7(19) . . ?
C229 K4 C234 27(2) . . ?
C234 K4 N20 94.2(15) . . ?
C234 K4 N41 115.9(16) . . ?
C234 K4 C95 115.4(16) . . ?
C234 K4 C106 41.3(16) . . ?
C234 K4 C143 120.6(16) . . ?
O1 K5 C333 160.2(9) . 2_655 ?
O1 K5 C333 160.2(9) . 3_665 ?
O1 K5 C333 160.2(9) . . ?
O1 K5 O10 69.9(7) . . ?
O1 K5 O10 69.9(7) . 3_665 ?
O1 K5 O11 124.1(7) . 3_665 ?
O1 K5 O11 124.1(7) . . ?
O1 K5 O11 124.1(7) . 2_655 ?
O1 K5 O12 87.7(7) . 2_655 ?
O1 K5 O12 87.7(7) . . ?
O1 K5 O12 87.7(7) . 3_665 ?
C333 K5 C333 34.1(16) 3_665 . ?
C333 K5 C333 34.1(16) 3_665 2_655 ?
C333 K5 C333 34.1(16) 2_655 . ?
C333 K5 O10 108.2(12) . . ?
C333 K5 O10 127.2(11) 2_655 . ?
C333 K5 O10 93.1(12) 3_665 . ?
C333 K5 O10 93.1(12) 2_655 3_665 ?
C333 K5 O10 127.2(11) . 3_665 ?
C333 K5 O10 108.2(12) 3_665 3_665 ?
O10 K5 O10 108.8(7) . 3_665 ?
O11 K5 C333 43.5(12) 3_665 2_655 ?
O11 K5 C333 43.5(12) 2_655 . ?
O11 K5 C333 75.1(12) . . ?
O11 K5 C333 75.1(12) 3_665 3_665 ?
O11 K5 C333 75.1(12) 2_655 2_655 ?
O11 K5 C333 53.1(12) 3_665 . ?
O11 K5 C333 43.5(12) . 3_665 ?
O11 K5 C333 53.1(12) 2_655 3_665 ?
O11 K5 C333 53.1(12) . 2_655 ?
O11 K5 O10 159.3(9) 2_655 3_665 ?
O11 K5 O10 67.8(10) . 3_665 ?
O11 K5 O10 91.2(9) . . ?
O11 K5 O10 91.2(9) 3_665 3_665 ?
O11 K5 O10 159.3(10) 3_665 . ?
O11 K5 O10 67.8(10) 2_655 . ?
O11 K5 O11 91.6(10) . 2_655 ?
O11 K5 O11 91.6(10) . 3_665 ?
O11 K5 O11 91.6(10) 2_655 3_665 ?
O11 K5 O12 96.7(9) 2_655 . ?
O11 K5 O12 42.6(9) 2_655 2_655 ?
O11 K5 O12 42.6(9) . . ?
O11 K5 O12 133.4(10) 3_665 . ?
O11 K5 O12 133.4(10) 2_655 3_665 ?
O11 K5 O12 133.4(10) . 2_655 ?
O11 K5 O12 96.7(9) . 3_665 ?
O11 K5 O12 42.6(9) 3_665 3_665 ?
O11 K5 O12 96.7(9) 3_665 2_655 ?
O12 K5 C333 73.9(11) 2_655 . ?
O12 K5 C333 73.9(11) 3_665 2_655 ?
O12 K5 C333 107.7(12) . . ?
O12 K5 C333 95.0(12) 3_665 . ?
O12 K5 C333 95.0(12) 2_655 3_665 ?
O12 K5 C333 73.9(11) . 3_665 ?
O12 K5 C333 95.0(12) . 2_655 ?
O12 K5 C333 107.7(12) 3_665 3_665 ?
O12 K5 C333 107.7(12) 2_655 2_655 ?
O12 K5 O10 66.8(9) . 3_665 ?
O12 K5 O10 156.8(10) 3_665 . ?
O12 K5 O10 55.5(9) . . ?
O12 K5 O10 156.8(10) 2_655 3_665 ?
O12 K5 O10 55.5(9) 3_665 3_665 ?
O12 K5 O10 66.8(9) 2_655 . ?
O12 K5 O12 119.84(11) . 2_655 ?
O12 K5 O12 119.84(10) 2_655 3_665 ?
O12 K5 O12 119.84(11) . 3_665 ?
C332 K6 C332 51.3(14) 2_655 3_665 ?
C332 K6 C332 51.3(14) . 2_655 ?
C332 K6 C332 51.3(14) . 3_665 ?
C332 K6 O13 65.7(11) 2_655 . ?
C332 K6 O13 90.2(14) 3_665 3_665 ?
C332 K6 O13 90.2(14) 2_655 2_655 ?
C332 K6 O13 117.0(13) 3_665 . ?
C332 K6 O13 117.0(13) . 2_655 ?
C332 K6 O13 65.7(11) . 3_665 ?
C332 K6 O13 90.2(14) . . ?
C332 K6 O13 117.0(13) 2_655 3_665 ?
C332 K6 O13 65.7(11) 3_665 2_655 ?
C332 K6 O16 32.7(14) . . ?
C332 K6 O16 81.4(11) 2_655 3_665 ?
C332 K6 O16 32.7(14) 2_655 2_655 ?
C332 K6 O16 56.3(15) 2_655 . ?
C332 K6 O16 81.4(11) . 2_655 ?
C332 K6 O16 81.4(11) 3_665 . ?
C332 K6 O16 56.3(15) 3_665 2_655 ?
C332 K6 O16 56.3(15) . 3_665 ?
C332 K6 O16 32.7(14) 3_665 3_665 ?
C332 K6 C318 117.1(11) 2_655 . ?
C332 K6 C318 117.1(11) 3_665 2_655 ?
C332 K6 C318 155.0(14) 2_655 3_665 ?
C332 K6 C318 155.0(14) 3_665 . ?
C332 K6 C318 117.1(11) . 3_665 ?
C332 K6 C318 155.0(14) . 2_655 ?
C332 K6 C318 144.1(15) 3_665 3_665 ?
C332 K6 C318 144.1(15) 2_655 2_655 ?
C332 K6 C318 144.1(15) . . ?
O13 K6 O13 119.97(5) 3_665 2_655 ?
O13 K6 O13 119.97(5) . 3_665 ?
O13 K6 O13 119.97(5) . 2_655 ?
O13 K6 O16 61.7(10) 3_665 3_665 ?
O13 K6 O16 72.4(10) 2_655 3_665 ?
O13 K6 O16 143.9(11) . 3_665 ?
O13 K6 O16 143.9(11) 3_665 2_655 ?
O13 K6 O16 72.4(10) 3_665 . ?
O13 K6 O16 72.4(10) . 2_655 ?
O13 K6 O16 143.9(11) 2_655 . ?
O13 K6 O16 61.7(10) 2_655 2_655 ?
O13 K6 O16 61.7(10) . . ?
O13 K6 C318 94.8(12) 2_655 . ?
O13 K6 C318 57.9(11) . . ?
O13 K6 C318 94.8(12) 3_665 2_655 ?
O13 K6 C318 94.8(12) . 3_665 ?
O13 K6 C318 113.8(12) . 2_655 ?
O13 K6 C318 57.9(11) 3_665 3_665 ?
O13 K6 C318 113.8(12) 2_655 3_665 ?
O13 K6 C318 57.9(11) 2_655 2_655 ?
O13 K6 C318 113.8(12) 3_665 . ?
O16 K6 O16 88.2(11) . 3_665 ?
O16 K6 O16 88.2(11) 3_665 2_655 ?
O16 K6 O16 88.2(11) . 2_655 ?
C318 K6 O16 158.1(12) 2_655 . ?
C318 K6 O16 111.5(12) 2_655 2_655 ?
C318 K6 O16 101.5(12) 2_655 3_665 ?
C318 K6 O16 101.5(12) 3_665 . ?
C318 K6 O16 111.5(12) 3_665 3_665 ?
C318 K6 O16 158.1(12) 3_665 2_655 ?
C318 K6 O16 158.1(12) . 3_665 ?
C318 K6 O16 111.5(12) . . ?
C318 K6 O16 101.5(12) . 2_655 ?
C318 K6 C318 56.8(13) 3_665 . ?
C318 K6 C318 56.8(13) . 2_655 ?
C318 K6 C318 56.8(13) 3_665 2_655 ?
O19 K7 O19 49.2(14) 2_765 3_675 ?
O19 K7 O19 49.2(14) . 3_675 ?
O19 K7 O19 49.2(14) . 2_765 ?
O19 K7 C326 125.7(18) 2_765 3_675 ?
O19 K7 C326 78.1(18) 3_675 2_765 ?
O19 K7 C326 78.1(18) 2_765 . ?
O19 K7 C326 89.1(17) 3_675 3_675 ?
O19 K7 C326 89.1(17) . . ?
O19 K7 C326 125.7(18) 3_675 . ?
O19 K7 C326 78.1(18) . 3_675 ?
O19 K7 C326 89.1(17) 2_765 2_765 ?
O19 K7 C326 125.7(18) . 2_765 ?
O19 K7 C361 85.7(16) 2_765 . ?
O19 K7 C361 65.8(13) 2_765 2_765 ?
O19 K7 C361 114.7(16) 3_675 . ?
O19 K7 C361 114.7(16) 2_765 3_675 ?
O19 K7 C361 85.7(17) 3_675 2_765 ?
O19 K7 C361 65.8(13) . . ?
O19 K7 C361 85.7(17) . 3_675 ?
O19 K7 C361 114.7(16) . 2_765 ?
O19 K7 C361 65.8(13) 3_675 3_675 ?
O28 K7 O19 42.9(7) . . ?
O28 K7 O19 90.8(15) 2_765 . ?
O28 K7 O19 90.8(15) . 3_675 ?
O28 K7 O19 42.9(7) 2_765 2_765 ?
O28 K7 O19 81.6(14) 3_675 . ?
O28 K7 O19 90.8(15) 3_675 2_765 ?
O28 K7 O19 81.6(14) 2_765 3_675 ?
O28 K7 O19 42.9(7) 3_675 3_675 ?
O28 K7 O19 81.6(14) . 2_765 ?
O28 K7 O28 109.7(9) 3_675 . ?
O28 K7 O28 109.7(9) 2_765 3_675 ?
O28 K7 O28 109.7(9) 2_765 . ?
O28 K7 C326 66.4(13) . . ?
O28 K7 C326 168.6(19) 3_675 . ?
O28 K7 C326 63.6(15) . 3_675 ?
O28 K7 C326 66.4(13) 3_675 3_675 ?
O28 K7 C326 66.4(13) 2_765 2_765 ?
O28 K7 C326 63.6(15) 2_765 . ?
O28 K7 C326 63.6(15) 3_675 2_765 ?
O28 K7 C326 168.6(19) . 2_765 ?
O28 K7 C326 168.6(19) 2_765 3_675 ?
O28 K7 C361 139.5(11) 2_765 3_675 ?
O28 K7 C361 29.8(7) . . ?
O28 K7 C361 29.8(7) 2_765 2_765 ?
O28 K7 C361 139.5(11) . 2_765 ?
O28 K7 C361 94.7(14) . 3_675 ?
O28 K7 C361 94.7(13) 2_765 . ?
O28 K7 C361 139.5(11) 3_675 . ?
O28 K7 C361 29.8(7) 3_675 3_675 ?
O28 K7 C361 94.7(14) 3_675 2_765 ?
C326 K7 C326 118.1(7) 3_675 2_765 ?
C326 K7 C326 118.1(8) 3_675 . ?
C326 K7 C326 118.1(8) 2_765 . ?
C326 K7 C361 83.2(10) 3_675 . ?
C326 K7 C361 156.3(10) . 3_675 ?
C326 K7 C361 83.2(10) . 2_765 ?
C326 K7 C361 156.3(10) 2_765 . ?
C326 K7 C361 38.2(7) 3_675 3_675 ?
C326 K7 C361 38.2(7) . . ?
C326 K7 C361 156.3(10) 3_675 2_765 ?
C326 K7 C361 38.2(7) 2_765 2_765 ?
C326 K7 C361 83.2(10) 2_765 3_675 ?
C361 K7 C361 119.94(12) 2_765 . ?
C361 K7 C361 119.94(14) 3_675 . ?
C361 K7 C361 119.94(12) 2_765 3_675 ?
O7 K10 O7 94.1(12) 2_665 . ?
O7 K10 O7 94.1(12) 2_665 3_565 ?
O7 K10 O7 94.1(11) . 3_565 ?
O7 K10 C308 83.8(11) 3_565 3_565 ?
O7 K10 C308 177.5(13) 3_565 2_665 ?
O7 K10 C308 84.5(14) . 2_665 ?
O7 K10 C308 84.5(14) 2_665 3_565 ?
O7 K10 C308 83.8(11) 2_665 2_665 ?
O7 K10 C308 177.5(13) . 3_565 ?
O7 K10 C319 125.4(13) 2_665 . ?
O7 K10 C319 101.8(13) . 2_665 ?
O7 K10 C319 33.6(13) 3_565 3_565 ?
O7 K10 C319 33.6(13) . . ?
O7 K10 C319 125.4(13) . 3_565 ?
O7 K10 C319 101.8(13) 3_565 . ?
O7 K10 C319 125.4(13) 3_565 2_665 ?
O7 K10 C319 101.8(13) 2_665 3_565 ?
O7 K10 C319 33.6(13) 2_665 2_665 ?
C307 K10 O7 55.2(11) 2_665 2_665 ?
C307 K10 O7 146.8(13) 2_665 3_565 ?
C307 K10 O7 77.7(13) . 3_565 ?
C307 K10 O7 146.8(13) 3_565 . ?
C307 K10 O7 55.2(11) 3_565 3_565 ?
C307 K10 O7 55.2(11) . . ?
C307 K10 O7 146.8(13) . 2_665 ?
C307 K10 O7 77.7(13) 3_565 2_665 ?
C307 K10 O7 77.7(13) 2_665 . ?
C307 K10 C307 119.89(12) 2_665 . ?
C307 K10 C307 119.89(12) 3_565 . ?
C307 K10 C307 119.89(12) 2_665 3_565 ?
C307 K10 C308 30.7(7) 3_565 3_565 ?
C307 K10 C308 103.2(14) 2_665 3_565 ?
C307 K10 C308 103.2(14) . 2_665 ?
C307 K10 C308 125.5(15) . 3_565 ?
C307 K10 C308 125.5(15) 3_565 2_665 ?
C307 K10 C308 30.7(7) 2_665 2_665 ?
C307 K10 C319 89.1(7) . 3_565 ?
C307 K10 C319 31.2(7) . . ?
C307 K10 C319 151.0(7) . 2_665 ?
C307 K10 C319 151.0(7) 2_665 3_565 ?
C307 K10 C319 89.1(7) 3_565 2_665 ?
C307 K10 C319 89.1(7) 2_665 . ?
C307 K10 C319 31.2(7) 3_565 3_565 ?
C307 K10 C319 151.0(7) 3_565 . ?
C307 K10 C319 31.2(7) 2_665 2_665 ?
C308 K10 C308 97.4(12) 2_665 3_565 ?
C319 K10 C308 52.9(12) 2_665 2_665 ?
C319 K10 C308 52.9(12) 3_565 3_565 ?
C319 K10 C308 148.3(17) 3_565 2_665 ?
C319 K10 C308 78.2(14) 2_665 3_565 ?
C319 K10 C308 78.2(14) . 2_665 ?
C319 K10 C308 148.3(17) . 3_565 ?
C319 K10 C319 119.91(13) 3_565 . ?
C319 K10 C319 119.91(13) 2_665 3_565 ?
C319 K10 C319 119.91(13) 2_665 . ?
C367 K10 O7 57.7(8) 1_454 . ?
C367 K10 O7 57.7(8) 1_454 3_565 ?
C367 K10 O7 57.7(8) 1_454 2_665 ?
C367 K10 C307 91.9(10) 1_454 . ?
C367 K10 C307 91.9(10) 1_454 2_665 ?
C367 K10 C307 91.9(10) 1_454 3_565 ?
C367 K10 C308 119.8(10) 1_454 3_565 ?
C367 K10 C308 119.8(9) 1_454 2_665 ?
C367 K10 C319 88.3(12) 1_454 3_565 ?
C367 K10 C319 88.3(12) 1_454 . ?
C367 K10 C319 88.3(12) 1_454 2_665 ?
O21 K9 O21 108.2(7) 2_755 . ?
O21 K9 O21 108.2(7) 2_755 3_775 ?
O21 K9 O21 108.2(7) 3_775 . ?
O21 K9 O23 80.3(10) 2_755 . ?
O21 K9 O23 80.3(10) 3_775 2_755 ?
O21 K9 O23 117.5(11) 2_755 3_775 ?
O21 K9 O23 117.5(11) 3_775 . ?
O21 K9 O23 117.5(11) . 2_755 ?
O21 K9 O23 128.2(11) . . ?
O21 K9 O23 80.3(10) . 3_775 ?
O21 K9 O23 128.2(11) 2_755 2_755 ?
O21 K9 O23 128.2(11) 3_775 3_775 ?
O22 K9 O21 60.2(9) . . ?
O22 K9 O21 60.2(9) 3_775 3_775 ?
O22 K9 O21 64.0(8) . 3_775 ?
O22 K9 O21 64.0(8) 3_775 2_755 ?
O22 K9 O21 159.0(11) 2_755 3_775 ?
O22 K9 O21 60.2(9) 2_755 2_755 ?
O22 K9 O21 64.0(8) 2_755 . ?
O22 K9 O21 159.0(11) . 2_755 ?
O22 K9 O21 159.0(11) 3_775 . ?
O22 K9 O22 119.999(11) 3_775 2_755 ?
O22 K9 O22 119.999(19) 2_755 . ?
O22 K9 O22 120.00(2) 3_775 . ?
O22 K9 O23 120.7(11) 2_755 2_755 ?
O22 K9 O23 79.4(10) . 3_775 ?
O22 K9 O23 120.7(11) 3_775 3_775 ?
O22 K9 O23 71.3(11) . 2_755 ?
O22 K9 O23 79.4(11) 2_755 . ?
O22 K9 O23 71.3(11) 3_775 . ?
O22 K9 O23 120.7(11) . . ?
O22 K9 O23 79.4(11) 3_775 2_755 ?
O22 K9 O23 71.3(11) 2_755 3_775 ?
O23 K9 O23 52.9(13) . 3_775 ?
O23 K9 O23 52.9(13) . 2_755 ?
O23 K9 O23 52.9(13) 2_755 3_775 ?
O5 K8 O5 119.54(14) 2_765 . ?
O5 K8 O5 119.54(14) 2_765 3_675 ?
O5 K8 O5 119.54(14) 3_675 . ?
O5 K8 O17 71.4(9) . . ?
O5 K8 O17 132.2(11) 3_675 2_765 ?
O5 K8 O17 132.2(11) 2_765 . ?
O5 K8 O17 71.4(9) 2_765 2_765 ?
O5 K8 O17 78.9(10) 3_675 . ?
O5 K8 O17 78.9(10) 2_765 3_675 ?
O5 K8 O17 78.9(10) . 2_765 ?
O5 K8 O17 132.2(11) . 3_675 ?
O5 K8 O17 71.4(9) 3_675 3_675 ?
O5 K8 O27 143.7(11) 3_675 . ?
O5 K8 O27 59.7(10) 2_765 2_765 ?
O5 K8 O27 143.7(11) . 2_765 ?
O5 K8 O27 143.7(11) 2_765 3_675 ?
O5 K8 O27 65.7(10) 3_675 2_765 ?
O5 K8 O27 59.7(10) 3_675 3_675 ?
O5 K8 O27 65.7(10) 2_765 . ?
O5 K8 O27 65.7(10) . 3_675 ?
O5 K8 O27 59.7(10) . . ?
O5 K8 C180 92.6(14) 3_675 2_765 ?
O5 K8 C180 92.6(14) . 3_675 ?
O5 K8 C180 146.4(14) 3_675 . ?
O5 K8 C180 146.4(14) . 2_765 ?
O5 K8 C180 92.6(14) 2_765 . ?
O5 K8 C180 146.4(14) 2_765 3_675 ?
O5 K8 C180 27.1(14) 2_765 2_765 ?
O5 K8 C180 27.1(14) 3_675 3_675 ?
O5 K8 C180 27.1(14) . . ?
O17 K8 O17 65.4(14) 2_765 . ?
O17 K8 O17 65.4(14) 3_675 2_765 ?
O17 K8 O17 65.4(14) 3_675 . ?
O17 K8 O27 126.4(12) 3_675 3_675 ?
O17 K8 O27 126.4(12) 2_765 2_765 ?
O17 K8 O27 139.3(12) 3_675 . ?
O17 K8 O27 139.3(12) 2_765 3_675 ?
O17 K8 O27 139.3(12) . 2_765 ?
O17 K8 O27 84.1(12) . 3_675 ?
O17 K8 O27 84.1(12) 2_765 . ?
O17 K8 O27 126.4(12) . . ?
O17 K8 O27 84.1(12) 3_675 2_765 ?
O17 K8 C180 64.3(17) . 3_675 ?
O17 K8 C180 86.7(17) 3_675 3_675 ?
O17 K8 C180 129.0(17) 3_675 . ?
O17 K8 C180 64.3(17) 3_675 2_765 ?
O17 K8 C180 129.0(17) . 2_765 ?
O17 K8 C180 64.3(17) 2_765 . ?
O17 K8 C180 129.0(17) 2_765 3_675 ?
O17 K8 C180 86.7(17) . . ?
O17 K8 C180 86.7(17) 2_765 2_765 ?
O27 K8 O27 94.2(12) 2_765 . ?
O27 K8 O27 94.2(12) 3_675 2_765 ?
O27 K8 O27 94.2(12) 3_675 . ?
C180 K8 O27 88.9(17) 2_765 . ?
C180 K8 O27 39.8(17) 3_675 3_675 ?
C180 K8 O27 39.8(17) . . ?
C180 K8 O27 134.0(17) 3_675 . ?
C180 K8 O27 39.8(17) 2_765 2_765 ?
C180 K8 O27 88.9(17) . 3_675 ?
C180 K8 O27 88.9(17) 3_675 2_765 ?
C180 K8 O27 134.0(17) . 2_765 ?
C180 K8 O27 134.0(17) 2_765 3_675 ?
C180 K8 C180 119.7(3) 2_765 . ?
C180 K8 C180 119.7(3) 3_675 . ?
C180 K8 C180 119.7(3) 2_765 3_675 ?
O9 K11 O9 119.90(14) . 3_675 ?
O9 K11 O9 119.90(14) . 2_765 ?
O9 K11 O9 119.89(13) 2_765 3_675 ?
O9 K11 O15 68.5(12) 2_765 2_765 ?
O9 K11 O15 144.2(16) . 2_765 ?
O9 K11 O15 68.5(12) . . ?
O9 K11 O15 60.2(12) 3_675 2_765 ?
O9 K11 O15 144.2(16) 2_765 3_675 ?
O9 K11 O15 60.2(12) . 3_675 ?
O9 K11 O15 68.5(12) 3_675 3_675 ?
O9 K11 O15 144.2(16) 3_675 . ?
O9 K11 O15 60.2(12) 2_765 . ?
O9 K11 C326 133.5(13) 2_765 3_675 ?
O9 K11 C326 133.5(13) 3_675 . ?
O9 K11 C326 103.3(13) 3_675 2_765 ?
O9 K11 C326 133.5(13) . 2_765 ?
O9 K11 C326 103.3(13) . 3_675 ?
O9 K11 C326 27.7(15) 2_765 2_765 ?
O9 K11 C326 27.7(15) 3_675 3_675 ?
O9 K11 C326 27.7(15) . . ?
O9 K11 C326 103.3(13) 2_765 . ?
O15 K11 O15 92.3(13) 3_675 . ?
O15 K11 O15 92.3(13) 2_765 . ?
O15 K11 O15 92.3(13) 2_765 3_675 ?
C321 K11 O9 49.2(14) . . ?
C321 K11 O9 71.7(15) 3_675 . ?
C321 K11 O9 161(2) 3_675 2_765 ?
C321 K11 O9 49.2(14) 3_675 3_675 ?
C321 K11 O9 161(2) 2_765 . ?
C321 K11 O9 71.7(15) . 2_765 ?
C321 K11 O9 49.2(14) 2_765 2_765 ?
C321 K11 O9 71.7(15) 2_765 3_675 ?
C321 K11 O9 161(2) . 3_675 ?
C321 K11 O15 25.4(7) . . ?
C321 K11 O15 25.3(7) 2_765 2_765 ?
C321 K11 O15 93.3(18) 3_675 2_765 ?
C321 K11 O15 117.6(14) 3_675 . ?
C321 K11 O15 117.6(14) . 2_765 ?
C321 K11 O15 25.4(7) 3_675 3_675 ?
C321 K11 O15 93.3(19) . 3_675 ?
C321 K11 O15 117.6(14) 2_765 3_675 ?
C321 K11 O15 93.3(19) 2_765 . ?
C321 K11 C321 114.8(10) . 3_675 ?
C321 K11 C321 114.8(10) . 2_765 ?
C321 K11 C321 114.8(10) 3_675 2_765 ?
C321 K11 C326 46.3(14) . . ?
C321 K11 C326 152.3(15) . 3_675 ?
C321 K11 C326 92.9(18) 2_765 3_675 ?
C321 K11 C326 92.9(18) 3_675 . ?
C321 K11 C326 46.3(14) 3_675 3_675 ?
C321 K11 C326 152.3(15) 2_765 . ?
C321 K11 C326 46.3(14) 2_765 2_765 ?
C321 K11 C326 152.3(15) 3_675 2_765 ?
C321 K11 C326 92.9(18) . 2_765 ?
C326 K11 O15 163.7(17) . 2_765 ?
C326 K11 O15 163.7(17) 3_675 . ?
C326 K11 O15 71.5(14) . . ?
C326 K11 O15 163.7(17) 2_765 3_675 ?
C326 K11 O15 86.8(15) 3_675 2_765 ?
C326 K11 O15 71.5(14) 3_675 3_675 ?
C326 K11 O15 86.8(16) . 3_675 ?
C326 K11 O15 71.4(14) 2_765 2_765 ?
C326 K11 O15 86.8(16) 2_765 . ?
C326 K11 C326 108.2(16) 2_765 3_675 ?
C326 K11 C326 108.2(16) 3_675 . ?
C326 K11 C326 108.2(16) 2_765 . ?
O25 K12 O25 105.7(11) 3_565 2_665 ?
O25 K12 O25 105.7(11) 3_565 . ?
O25 K12 O25 105.7(11) 2_665 . ?
O25 K12 C307 160.2(11) 2_665 3_565 ?
O25 K12 C307 61.5(9) . . ?
O25 K12 C307 160.2(11) 3_565 . ?
O25 K12 C307 92.8(13) . 3_565 ?
O25 K12 C307 92.8(12) 3_565 2_665 ?
O25 K12 C307 92.8(13) 2_665 . ?
O25 K12 C307 160.2(11) . 2_665 ?
O25 K12 C307 61.5(9) 3_565 3_565 ?
O25 K12 C307 61.5(9) 2_665 2_665 ?
C307 K12 C307 102.3(13) 2_665 . ?
C307 K12 C307 102.3(13) 3_565 . ?
C307 K12 C307 102.3(13) 2_665 3_565 ?
C308 K12 O25 33.4(7) . . ?
C308 K12 O25 138.9(13) 3_565 2_665 ?
C308 K12 O25 33.4(7) 2_665 2_665 ?
C308 K12 O25 138.9(13) 2_665 . ?
C308 K12 O25 138.9(13) . 3_565 ?
C308 K12 O25 33.4(7) 3_565 3_565 ?
C308 K12 O25 94.8(14) 3_565 . ?
C308 K12 O25 94.8(14) 2_665 3_565 ?
C308 K12 O25 94.8(14) . 2_665 ?
C308 K12 C307 128.3(14) 3_565 . ?
C308 K12 C307 104.7(16) 3_565 2_665 ?
C308 K12 C307 128.3(14) 2_665 3_565 ?
C308 K12 C307 29.0(8) 3_565 3_565 ?
C308 K12 C307 128.3(15) . 2_665 ?
C308 K12 C307 104.7(16) . 3_565 ?
C308 K12 C307 104.7(16) 2_665 . ?
C308 K12 C307 29.0(8) 2_665 2_665 ?
C308 K12 C307 29.0(8) . . ?
C308 K12 C308 120.000(18) 2_665 3_565 ?
C308 K12 C308 120.001(19) 2_665 . ?
C308 K12 C308 119.999(15) 3_565 . ?
C308 K12 C309 121.6(19) 2_665 . ?
C308 K12 C309 121.6(19) . 3_565 ?
C308 K12 C309 121.6(19) 3_565 2_665 ?
C308 K12 C309 86.7(19) 3_565 . ?
C308 K12 C309 62.5(13) 2_665 2_665 ?
C308 K12 C309 62.5(13) . . ?
C308 K12 C309 86.7(19) . 2_665 ?
C308 K12 C309 62.5(13) 3_565 3_565 ?
C308 K12 C309 86.7(19) 2_665 3_565 ?
C309 K12 O25 81.4(17) . 3_565 ?
C309 K12 O25 91.5(18) 3_565 . ?
C309 K12 O25 33.2(7) 3_565 3_565 ?
C309 K12 O25 81.4(17) 2_665 . ?
C309 K12 O25 33.2(7) . . ?
C309 K12 O25 81.4(17) 3_565 2_665 ?
C309 K12 O25 91.5(18) 2_665 3_565 ?
C309 K12 O25 33.2(7) 2_665 2_665 ?
C309 K12 O25 91.5(18) . 2_665 ?
C309 K12 C307 100.8(17) 2_665 . ?
C309 K12 C307 100.8(16) 3_565 2_665 ?
C309 K12 C307 149.9(17) 2_665 3_565 ?
C309 K12 C307 100.8(17) . 3_565 ?
C309 K12 C307 91.5(12) 3_565 3_565 ?
C309 K12 C307 91.5(12) 2_665 2_665 ?
C309 K12 C307 149.9(17) . 2_665 ?
C309 K12 C307 149.9(17) 3_565 . ?
C309 K12 C307 91.5(12) . . ?
C309 K12 C309 59.4(17) 3_565 . ?
C309 K12 C309 59.4(17) 2_665 . ?
C309 K12 C309 59.4(17) 3_565 2_665 ?
O21 K13 O21 98.6(11) 3_775 . ?
O21 K13 O21 98.6(11) 2_755 3_775 ?
O21 K13 O21 98.6(11) 2_755 . ?
O21 K13 C185 54.3(9) . 2_755 ?
O21 K13 C185 151.6(15) . 3_775 ?
O21 K13 C185 151.6(15) 3_775 2_755 ?
O21 K13 C185 151.6(15) 2_755 . ?
O21 K13 C185 79.8(10) 2_755 2_755 ?
O21 K13 C185 54.3(9) 2_755 3_775 ?
O21 K13 C185 79.8(10) . . ?
O21 K13 C185 79.8(10) 3_775 3_775 ?
O21 K13 C185 54.3(9) 3_775 . ?
O22 K13 O21 141.3(17) 3_775 . ?
O22 K13 O21 60.9(9) . 3_775 ?
O22 K13 O21 141.3(17) 2_755 3_775 ?
O22 K13 O21 141.3(17) . 2_755 ?
O22 K13 O21 57.3(9) 2_755 2_755 ?
O22 K13 O21 60.9(9) 3_775 2_755 ?
O22 K13 O21 57.3(9) 3_775 3_775 ?
O22 K13 O21 57.3(9) . . ?
O22 K13 O21 60.9(9) 2_755 . ?
O22 K13 O22 117.2(6) 3_775 . ?
O22 K13 O22 117.2(6) 2_755 . ?
O22 K13 O22 117.2(6) 3_775 2_755 ?
O22 K13 C185 102.9(10) 3_775 . ?
O22 K13 C185 137.7(10) 2_755 . ?
O22 K13 C185 22.8(10) 2_755 2_755 ?
O22 K13 C185 22.8(10) 3_775 3_775 ?
O22 K13 C185 102.9(10) 2_755 3_775 ?
O22 K13 C185 22.8(10) . . ?
O22 K13 C185 137.7(10) . 3_775 ?
O22 K13 C185 137.7(10) 3_775 2_755 ?
O22 K13 C185 102.9(10) . 2_755 ?
O23 K13 O21 83.3(11) 3_775 . ?
O23 K13 O21 136.8(13) . . ?
O23 K13 O21 83.3(11) 2_755 3_775 ?
O23 K13 O21 83.3(11) . 2_755 ?
O23 K13 O21 124.1(12) . 3_775 ?
O23 K13 O21 124.1(12) 3_775 2_755 ?
O23 K13 O21 124.1(12) 2_755 . ?
O23 K13 O21 136.8(12) 3_775 3_775 ?
O23 K13 O21 136.8(12) 2_755 2_755 ?
O23 K13 O22 76.8(12) . 3_775 ?
O23 K13 O22 135.4(17) 2_755 2_755 ?
O23 K13 O22 135.4(17) . . ?
O23 K13 O22 85.7(12) 2_755 3_775 ?
O23 K13 O22 85.7(12) 3_775 . ?
O23 K13 O22 135.4(17) 3_775 3_775 ?
O23 K13 O22 76.8(12) 2_755 . ?
O23 K13 O22 85.7(12) . 2_755 ?
O23 K13 O22 76.8(12) 3_775 2_755 ?
O23 K13 O23 61.5(17) 2_755 3_775 ?
O23 K13 O23 61.5(17) . 2_755 ?
O23 K13 O23 61.5(17) . 3_775 ?
O23 K13 C185 117.4(16) 3_775 3_775 ?
O23 K13 C185 84.1(13) . 2_755 ?
O23 K13 C185 84.1(13) 2_755 3_775 ?
O23 K13 C185 117.4(16) . . ?
O23 K13 C185 56.2(13) 3_775 2_755 ?
O23 K13 C185 117.4(16) 2_755 2_755 ?
O23 K13 C185 56.2(12) 2_755 . ?
O23 K13 C185 56.2(13) . 3_775 ?
O23 K13 C185 84.1(13) 3_775 . ?
C185 K13 C185 119.3(3) 3_775 . ?
C185 K13 C185 119.3(3) 3_775 2_755 ?
C185 K13 C185 119.3(3) 2_755 . ?
C357 O1 K5 127(3) 3_665 . ?
C357 O1 K5 127(3) . . ?
C357 O1 K5 127(3) 2_655 . ?
C357 O1 C357 88(4) 3_665 . ?
C357 O1 C357 88(4) 3_665 2_655 ?
C357 O1 C357 88(4) . 2_655 ?
C357 O1 C166 48(3) 3_665 3_665 ?
C357 O1 C166 92(3) . 2_655 ?
C357 O1 C166 92(3) 3_665 . ?
C357 O1 C166 137(4) . 3_665 ?
C357 O1 C166 137(4) 2_655 . ?
C357 O1 C166 92(3) 2_655 3_665 ?
C357 O1 C166 48(3) . . ?
C357 O1 C166 137(4) 3_665 2_655 ?
C357 O1 C166 48(3) 2_655 2_655 ?
C166 O1 K5 87(3) 2_655 . ?
C166 O1 K5 87(3) 3_665 . ?
C166 O1 K5 87(3) . . ?
C166 O1 C166 119.7(6) 3_665 2_655 ?
C166 O1 C166 119.7(6) . 3_665 ?
C166 O1 C166 119.7(6) . 2_655 ?
C51 O2 K1 118(3) . . ?
C51 O2 C311 112(4) . . ?
C311 O2 K1 126(2) . . ?
C333 O3 K5 77(5) . . ?
C333 O3 K5 77(5) 2_655 . ?
C333 O3 K5 77(5) 3_665 . ?
C333 O3 C333 115(3) . 2_655 ?
C333 O3 C333 115(3) 3_665 2_655 ?
C333 O3 C333 115(3) 3_665 . ?
C333 O3 C162 167(4) . . ?
C333 O3 C162 78(4) 2_655 3_665 ?
C333 O3 C162 78(4) . 2_655 ?
C333 O3 C162 57(3) 2_655 . ?
C333 O3 C162 78(4) 3_665 . ?
C333 O3 C162 167(4) 3_665 3_665 ?
C333 O3 C162 167(4) 2_655 2_655 ?
C333 O3 C162 57(3) . 3_665 ?
C333 O3 C162 57(3) 3_665 2_655 ?
C162 O3 K5 109(3) 3_665 . ?
C162 O3 K5 109(3) 2_655 . ?
C162 O3 K5 109(3) . . ?
C162 O3 C162 110(3) 2_655 3_665 ?
C162 O3 C162 110(3) 2_655 . ?
C162 O3 C162 110(3) . 3_665 ?
C330 O4 K4 78(2) . . ?
C304 O4 K4 59(4) . . ?
C304 O4 C330 126(5) . . ?
C180 O5 K8 84(3) . . ?
C180 O5 C322 138(5) . . ?
C180 O5 C324 37(3) . . ?
C322 O5 K8 120(2) . . ?
C322 O5 C324 125(3) . . ?
C324 O5 K8 114(3) . . ?
K4 C330 H33A 164.4 . . ?
K4 C330 H33B 54.9 . . ?
O4 C330 K4 77(2) . . ?
O4 C330 H33A 111.8 . . ?
O4 C330 H33B 111.8 . . ?
O4 C330 C115 100(4) . . ?
H33A C330 H33B 109.5 . . ?
C115 C330 K4 78(3) . . ?
C115 C330 H33A 111.8 . . ?
C115 C330 H33B 111.8 . . ?
C332 C331 C359 45.0(15) . . ?
C332 C331 O16 62(3) . . ?
O16 C331 C359 87(3) . . ?
C331 C332 K6 122(3) . . ?
C331 C332 O16 60(2) . . ?
C331 C332 O20 121(4) . . ?
C359 C332 K6 159(3) . . ?
C359 C332 C331 77(4) . . ?
C359 C332 O16 105(4) . . ?
C359 C332 O20 64.0(18) . . ?
C359 C332 O20 62(3) . 3_665 ?
O16 C332 K6 80.2(17) . . ?
O20 C332 K6 95.8(18) . . ?
O20 C332 K6 103(3) 3_665 . ?
O20 C332 C331 132(3) 3_665 . ?
O20 C332 O16 151(4) 3_665 . ?
O20 C332 O16 89(3) . . ?
O20 C332 O20 62(3) 3_665 . ?
O3 C333 K5 83(5) . . ?
O3 C333 C333 32.4(16) . 2_655 ?
O3 C333 C333 32.3(16) . 3_665 ?
O3 C333 C162 81(4) . 3_665 ?
O3 C333 C162 64(3) . 2_655 ?
C333 C333 K5 72.9(8) 2_655 . ?
C333 C333 K5 72.9(8) 3_665 . ?
C333 C333 C333 60.001(9) 2_655 3_665 ?
C162 C333 K5 107(3) 2_655 . ?
C162 C333 K5 121(4) 3_665 . ?
C162 C333 C333 45(3) 2_655 3_665 ?
C162 C333 C333 112(3) 3_665 3_665 ?
C162 C333 C333 64(4) 3_665 2_655 ?
C162 C333 C333 97(3) 2_655 2_655 ?
C162 C333 C162 115(5) 3_665 2_655 ?
C334 C334 C334 60.00(2) 3_675 2_765 ?
O17 C334 C334 113(3) . 3_675 ?
O17 C334 C334 113(3) . 2_765 ?
O18 C356 K1 49.0(19) . . ?
C166 C357 O1 66(2) . . ?
C115 O6 K4 116(3) . . ?
C115 O6 C305 113(4) . . ?
C305 O6 K4 114(3) . . ?
C306 O7 K10 113(3) . . ?
C306 O7 C319 172(4) . . ?
C319 O7 K10 75(2) . . ?
C355 O8 K1 129(3) . . ?
C355 O8 C52 106(4) . . ?
C52 O8 K1 104.3(19) . . ?
C320 O9 K11 90(3) . . ?
C326 O9 K11 76(3) . . ?
C326 O9 C320 54(4) . . ?
C164 O10 K5 109(2) . . ?
C169 O10 K5 119(3) . . ?
C169 O10 C164 117(4) . . ?
C161 O11 K5 118(3) . . ?
C167 O11 K5 120(2) . . ?
C167 O11 C161 108(3) . . ?
C167 O12 K5 104.0(17) . . ?
C168 O12 K5 114(3) . . ?
C168 O12 C167 109(3) . . ?
C358 O13 K6 82(2) . . ?
C358 O13 O14 126(4) . . ?
O14 O13 K6 83.1(18) . . ?
C173 O13 K6 139(3) . . ?
C173 O13 C358 59(3) . . ?
C173 O13 O14 130(3) . . ?
C173 O13 C175 71(2) . . ?
C175 O13 K6 134(3) . . ?
C175 O13 C358 100(4) . . ?
C175 O13 O14 58(2) . . ?
O13 C358 K6 67(2) . . ?
O13 C358 C314 135(5) . . ?
C173 C358 K6 117(3) . . ?
C173 C358 O13 52(3) . . ?
C173 C358 C314 106(4) . . ?
C314 C358 K6 108(3) . . ?
C332 C359 C331 58(3) . . ?
C332 C359 O20 60(3) . 3_665 ?
C332 C359 O20 67.3(15) . . ?
O20 C359 C331 114(3) 3_665 . ?
O20 C359 C331 110(3) . . ?
O20 C359 O20 63(3) 3_665 . ?
O13 O14 K6 65.1(17) . . ?
O13 O14 C318 114(3) . . ?
C175 O14 K6 115(3) . . ?
C175 O14 O13 56(2) . . ?
C175 O14 C318 115(3) . . ?
C318 O14 K6 68(2) . . ?
C321 O15 K11 50(2) . . ?
C321 O15 C327 131(5) . . ?
C327 O15 K11 96(3) . . ?
C331 O16 K6 112(3) . . ?
C331 O16 C332 58.5(17) . . ?
C332 O16 K6 67.2(13) . . ?
C314 O16 K6 112(2) . . ?
C314 O16 C331 109(3) . . ?
C314 O16 C332 163(3) . . ?
C334 O17 K8 115(3) . . ?
C325 O17 K8 92(3) . . ?
C325 O17 C334 127(5) . . ?
C356 O18 K1 105(2) . . ?
C356 O18 C52 118(3) . . ?
C52 O18 K1 107(2) . . ?
C329 O19 K7 120(6) . . ?
C329 O19 C360 59(5) . . ?
C329 O19 C362 103(7) . . ?
C360 O19 K7 107(2) . . ?
C362 O19 K7 118(4) . . ?
C362 O19 C360 58(4) . . ?
C332 O20 K6 54.0(17) 2_655 . ?
C332 O20 K6 55.8(13) . . ?
C332 O20 C332 110(3) 2_655 . ?
C332 O20 C359 158(3) 2_655 . ?
C332 O20 C359 58(2) 2_655 2_655 ?
C332 O20 O20 114(2) 2_655 3_665 ?
C332 O20 O20 68(3) 2_655 2_655 ?
C359 O20 K6 110(3) 2_655 . ?
C359 O20 K6 104.2(19) . . ?
C359 O20 C332 163(3) 2_655 . ?
C359 O20 C332 48.7(13) . . ?
C359 O20 C359 142(5) 2_655 . ?
C359 O20 O20 121(2) 2_655 3_665 ?
C359 O20 O20 65(2) 2_655 2_655 ?
O20 O20 K6 76.8(5) 3_665 . ?
O20 O20 K6 76.8(5) 2_655 . ?
O20 O20 C332 50(3) 3_665 . ?
O20 O20 C332 100(2) 2_655 . ?
O20 O20 C359 109(3) 2_655 . ?
O20 O20 C359 53(3) 3_665 . ?
O20 O20 O20 60.000(7) 3_665 2_655 ?
C181 O21 K9 122(3) . . ?
C181 O21 K13 128(3) . . ?
C181 O21 C183 110(3) . . ?
C183 O21 K9 110(2) . . ?
C183 O21 K13 110(2) . . ?
C182 O22 K9 116(2) . . ?
C182 O22 K13 116(2) . . ?
C182 O22 C185 121(3) . . ?
C185 O22 K9 114(2) . . ?
C185 O22 K13 108(2) . . ?
C184 O23 K9 127(3) . . ?
C184 O23 K13 122(3) . . ?
C313 O23 K9 140(4) . . ?
C313 O23 K13 144(4) . . ?
C313 O23 C184 92(5) . . ?
C72 O24 K2 107(2) . . ?
C81 O24 K2 117(2) . . ?
C81 O24 C72 122(3) . . ?
C308 O25 K12 68(3) . . ?
C308 O25 C309 126(4) . . ?
C309 O25 K12 72(3) . . ?
C70 O26 K2 121(2) . . ?
C312 O26 K2 110(2) . . ?
C312 O26 C70 115(3) . . ?
C176 O27 K8 78(3) . . ?
C323 O27 K8 119(4) . . ?
C323 O27 C176 87(5) . . ?
C329 O28 K7 89(2) . . ?
C360 O28 K7 118(3) . . ?
C360 O28 C329 54.3(19) . . ?
C360 O28 C361 96(4) . . ?
C361 O28 K7 91(3) . . ?
C361 O28 C329 146(5) . . ?
C300 O29 K3 135(2) . . ?
C300 O29 C301 114(3) . . ?
C301 O29 K3 111(2) . . ?
C302 O30 K3 110(2) . . ?
C303 O30 K3 82(2) . . ?
C303 O30 C302 139(3) . . ?
C366 O31 C366 61(5) 2_755 3_775 ?
C366 O31 C366 61(5) . 2_755 ?
C366 O31 C366 61(5) . 3_775 ?
C367 O31 C366 144(3) . 2_755 ?
C367 O31 C366 144(3) . 3_775 ?
C367 O31 C366 144(3) . . ?
B1 N2 K1 122.6(12) . . ?
C10 N2 K1 84.8(13) . . ?
C10 N2 B1 123.4(17) . . ?
C13 N2 K1 78.6(12) . . ?
C13 N2 B1 122.4(18) . . ?
C13 N2 C10 110.4(18) . . ?
C8 N4 C11 117(3) . . ?
C11 N4 C208 113(2) . . ?
C12 N5 C13 109.6(16) . . ?
C12 N5 B3 125.9(17) . . ?
C13 N5 B3 124.3(18) . . ?
C26 N6 B1 129.0(19) . . ?
C26 N6 C27 111.5(17) . . ?
C27 N6 B1 118.9(17) . . ?
C26 N7 K1 79.4(12) . . ?
C26 N7 B2 120.0(18) . . ?
C42 N7 K1 86.5(14) . . ?
C42 N7 C26 114.6(18) . . ?
C42 N7 B2 122.6(17) . . ?
B2 N7 K1 118.9(11) . . ?
C27 N8 K2 77.5(11) . . ?
C27 N8 C34 110.2(16) . . ?
C27 N8 B2 124.4(17) . . ?
C34 N8 K2 84.4(11) . . ?
C34 N8 B2 122.5(16) . . ?
B2 N8 K2 121.5(12) . . ?
C28 N9 K1 71.6(11) . . ?
C28 N9 B3 125.0(17) . . ?
C32 N9 K1 85.6(12) . . ?
C32 N9 C28 109.6(17) . . ?
C32 N9 B3 123.7(17) . . ?
B3 N9 K1 121.2(12) . . ?
C29 N10 K2 81.8(11) . . ?
C29 N10 C55 111.8(16) . . ?
C29 N10 B3 121.6(17) . . ?
C55 N10 K2 86.5(11) . . ?
C55 N10 B3 121.4(16) . . ?
B3 N10 K2 121.7(12) . . ?
C28 N11 C29 109.4(15) . . ?
C28 N11 B2 127.1(17) . . ?
C29 N11 B2 122.8(16) . . ?
C55 N15 C201 108(3) . . ?
C54 N15 C55 119(2) . . ?
C88 N17 B4 122.3(19) . . ?
C89 N17 C88 110.4(19) . . ?
C89 N17 B4 125(2) . . ?
C90 N18 C88 113.3(18) . . ?
C90 N19 K3 86.0(11) . . ?
C90 N19 B4 124.8(17) . . ?
C94 N19 K3 74.4(11) . . ?
C94 N19 C90 110.5(17) . . ?
C94 N19 B4 122.5(19) . . ?
B4 N19 K3 120.5(13) . . ?
C91 N20 K4 81.0(13) . . ?
C91 N20 B4 124.1(19) . . ?
C95 N20 K4 78.0(13) . . ?
C95 N20 C91 112.1(19) . . ?
C95 N20 B4 121.9(19) . . ?
B4 N20 K4 121.8(13) . . ?
C89 N21 C91 122(2) . . ?
C94 N22 B7 122.1(19) . . ?
C95 N22 C94 110.2(18) . . ?
C95 N22 B7 127(2) . . ?
C106 N23 B4 124.4(19) . . ?
C107 N23 C106 112.0(17) . . ?
C107 N23 B4 123.5(18) . . ?
C106 N24 K4 80.7(12) . . ?
C106 N24 C122 108.0(17) . . ?
C106 N24 B5 123.3(19) . . ?
C122 N24 K4 86.2(12) . . ?
C122 N24 B5 124.5(17) . . ?
B5 N24 K4 119.5(12) . . ?
C107 N25 K3 76.1(11) . . ?
C107 N25 C124 113.7(16) . . ?
C107 N25 B5 121.9(17) . . ?
C124 N25 K3 84.0(11) . . ?
C124 N25 B5 122.6(16) . . ?
B5 N25 K3 120.9(12) . . ?
C108 N26 K3 81.9(11) . . ?
C108 N26 C110 110.9(16) . . ?
C108 N26 B7 119.6(19) . . ?
C110 N26 K3 82.7(12) . . ?
C110 N26 B7 125.3(18) . . ?
B7 N26 K3 122.4(13) . . ?
C108 N27 B5 121.4(16) . . ?
C109 N27 C108 112.1(16) . . ?
C109 N27 B5 126.2(18) . . ?
C113 N28 C149 111(2) . . ?
C113 N28 B7 123(2) . . ?
C149 N28 B7 121(2) . . ?
C113 N29 C110 110.4(19) . . ?
C123 N31 B5 122.5(17) . . ?
C125 N31 C123 112.0(17) . . ?
C125 N31 B5 124.2(18) . . ?
C123 N32 C124 113.0(17) . . ?
C125 N33 C122 117.8(19) . . ?
C149 N34 C144 120(2) . . ?
C109 N41 K4 71.9(12) . . ?
C109 N41 B7 121.7(18) . . ?
C144 N41 K4 86.7(13) . . ?
C144 N41 C109 111.1(19) . . ?
C144 N41 B7 125(2) . . ?
B7 N41 K4 123.4(13) . . ?
C10 N3 C7 115(2) . . ?
C197 N3 C10 130(4) . . ?
C7 N13 B1 116(3) . . ?
C8 N13 C7 115(3) . . ?
C8 N13 B1 126(3) . . ?
C2 C1 C8 111(3) . . ?
C6 C1 C2 122(3) . . ?
C6 C1 C8 127(3) . . ?
C1 C2 C7 109(3) . . ?
C3 C2 C1 120(3) . . ?
C3 C2 C7 131(4) . . ?
C2 C3 H3 121.4 . . ?
C2 C3 C4 117(3) . . ?
C4 C3 H3 121.4 . . ?
C3 C4 H4 120.4 . . ?
C5 C4 C3 119(3) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 H5 118.8 . . ?
C4 C5 C6 122(4) . . ?
C6 C5 H5 118.8 . . ?
C1 C6 C5 120(3) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
N3 C7 N13 127(3) . . ?
N3 C7 C2 130(3) . . ?
N13 C7 C2 100(3) . . ?
N4 C8 N13 126(4) . . ?
N4 C8 C1 132(4) . . ?
N13 C8 C1 101(3) . . ?
N6 B1 N2 109.2(17) . . ?
N13 B1 N2 108(2) . . ?
N13 B1 N6 118(2) . . ?
N39 B1 N2 94(2) . . ?
N39 B1 N6 120(3) . . ?
N1 B1 N2 102.6(16) . . ?
N1 B1 N6 117.2(18) . . ?
N1 B1 N13 100(2) . . ?
N1 B1 N39 110(3) . . ?
N2 C10 K1 70.3(11) . . ?
N3 C10 K1 132.3(15) . . ?
N3 C10 N2 123(2) . . ?
C15 C10 K1 79.4(14) . . ?
C15 C10 N2 105.8(19) . . ?
C15 C10 N3 127(2) . . ?
N4 C11 K2 133.7(11) . . ?
N4 C11 N1 121.8(17) . . ?
C16 C11 K2 74.6(11) . . ?
C16 C11 N4 128.2(19) . . ?
C16 C11 N1 107.4(17) . . ?
N1 C11 K2 71.1(9) . . ?
N5 C12 K2 113.4(12) . . ?
N5 C12 C17 135.0(18) . . ?
C17 C12 K2 78.5(11) . . ?
N1 C12 K2 81.4(10) . . ?
N1 C12 N5 117.8(18) . . ?
N1 C12 C17 106.7(18) . . ?
N2 C13 K1 76.1(12) . . ?
N2 C13 N5 116.1(18) . . ?
N2 C13 C14 108.3(19) . . ?
N5 C13 K1 114.9(13) . . ?
C14 C13 K1 81.7(14) . . ?
C14 C13 N5 135(2) . . ?
C13 C14 K1 72.6(13) . . ?
C13 C14 C15 104(2) . . ?
C15 C14 K1 80.0(15) . . ?
C18 C14 K1 123.4(17) . . ?
C18 C14 C13 128(2) . . ?
C18 C14 C15 127(2) . . ?
C10 C15 K1 76.8(14) . . ?
C10 C15 C14 112(2) . . ?
C10 C15 C21 132(2) . . ?
C14 C15 K1 75.0(14) . . ?
C14 C15 C21 116(2) . . ?
C21 C15 K1 117.6(17) . . ?
C11 C16 K2 81.5(11) . . ?
C11 C16 C17 108.3(19) . . ?
C11 C16 C22 131(2) . . ?
C17 C16 K2 72.2(11) . . ?
C17 C16 C22 120.0(19) . . ?
C22 C16 K2 117.5(13) . . ?
C12 C17 K2 75.2(11) . . ?
C16 C17 K2 83.0(12) . . ?
C16 C17 C12 107.5(18) . . ?
C16 C17 C25 116(2) . . ?
C25 C17 K2 108.9(14) . . ?
C25 C17 C12 136(2) . . ?
C14 C18 H18 120.0 . . ?
C14 C18 C19 120(3) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 123.7 . . ?
C18 C19 C20 113(3) . . ?
C20 C19 H19 123.7 . . ?
C19 C20 H20 116.8 . . ?
C21 C20 C19 126(3) . . ?
C21 C20 H20 116.8 . . ?
C15 C21 H21 121.6 . . ?
C20 C21 C15 117(3) . . ?
C20 C21 H21 121.6 . . ?
C16 C22 H22 121.6 . . ?
C23 C22 C16 117(2) . . ?
C23 C22 H22 121.6 . . ?
C22 C23 H23 117.9 . . ?
C24 C23 C22 124(2) . . ?
C24 C23 H23 117.9 . . ?
C23 C24 H24 120.6 . . ?
C23 C24 C25 119(2) . . ?
C25 C24 H24 120.6 . . ?
C17 C25 H25 118.3 . . ?
C24 C25 C17 123(2) . . ?
C24 C25 H25 118.3 . . ?
N6 C26 K1 113.8(14) . . ?
N6 C26 C40 134(3) . . ?
N6 C26 C218 128(3) . . ?
N7 C26 K1 76.3(12) . . ?
N7 C26 N6 121(2) . . ?
N7 C26 C40 105(2) . . ?
N7 C26 C218 107(3) . . ?
C40 C26 K1 71(2) . . ?
C218 C26 K1 97(3) . . ?
N6 C27 K2 117.5(11) . . ?
N8 C27 K2 78.3(11) . . ?
N8 C27 N6 115.0(17) . . ?
N8 C27 C33 108.3(17) . . ?
C33 C27 K2 78.0(12) . . ?
C33 C27 N6 136.0(18) . . ?
N9 C28 K1 82.8(12) . . ?
N9 C28 N11 115.2(17) . . ?
N11 C28 K1 115.4(12) . . ?
C30 C28 K1 77.0(13) . . ?
C30 C28 N9 109.4(18) . . ?
C30 C28 N11 134.7(19) . . ?
N10 C29 K2 73.1(11) . . ?
N10 C29 N11 118.4(17) . . ?
N10 C29 C59 107.5(17) . . ?
N11 C29 K2 115.7(11) . . ?
C59 C29 K2 85.3(12) . . ?
C59 C29 N11 133.1(17) . . ?
C28 C30 K1 77.5(13) . . ?
C28 C30 C31 104.6(19) . . ?
C28 C30 C65 135(2) . . ?
C31 C30 K1 81.8(12) . . ?
C65 C30 K1 107.8(14) . . ?
C65 C30 C31 121(2) . . ?
C30 C31 K1 71.0(12) . . ?
C32 C31 K1 86.0(13) . . ?
C32 C31 C30 108.9(19) . . ?
C32 C31 C68 135(2) . . ?
C68 C31 K1 115.1(15) . . ?
C68 C31 C30 115(2) . . ?
N9 C32 K1 70.6(11) . . ?
N9 C32 N16 120(2) . . ?
C31 C32 K1 70.5(13) . . ?
C31 C32 N9 107.0(18) . . ?
C31 C32 N16 130(2) . . ?
N16 C32 K1 138.7(17) . . ?
N35 C32 K1 129(4) . . ?
N35 C32 N9 131(4) . . ?
N35 C32 C31 121(4) . . ?
C27 C33 K2 76.9(11) . . ?
C27 C33 C35 107.6(17) . . ?
C27 C33 C39 130(2) . . ?
C27 C33 C225 146(3) . . ?
C35 C33 K2 81.9(12) . . ?
C35 C33 C225 104(3) . . ?
C39 C33 K2 119.5(19) . . ?
C39 C33 C35 121(2) . . ?
C225 C33 K2 95(3) . . ?
N8 C34 K2 71.6(10) . . ?
N8 C34 C35 108.6(17) . . ?
N8 C34 N14 125(2) . . ?
C35 C34 K2 76.7(11) . . ?
C35 C34 N14 125(2) . . ?
N14 C34 K2 129.2(19) . . ?
N37 C34 K2 136(4) . . ?
N37 C34 N8 129(4) . . ?
N37 C34 C35 118(4) . . ?
C33 C35 K2 72.6(11) . . ?
C33 C35 C228 124(3) . . ?
C34 C35 K2 79.2(11) . . ?
C34 C35 C33 105.0(17) . . ?
C34 C35 C228 130(3) . . ?
C36 C35 K2 121(2) . . ?
C36 C35 C33 114(2) . . ?
C36 C35 C34 140(2) . . ?
C228 C35 K2 106(2) . . ?
C35 C36 H36 116.2 . . ?
C35 C36 C37 128(3) . . ?
C37 C36 H36 116.2 . . ?
C36 C37 H37 122.5 . . ?
C38 C37 C36 115(3) . . ?
C38 C37 H37 122.5 . . ?
C37 C38 H38 117.7 . . ?
C37 C38 C39 125(3) . . ?
C39 C38 H38 117.7 . . ?
C33 C39 H39 121.5 . . ?
C38 C39 C33 117(3) . . ?
C38 C39 H39 121.5 . . ?
N7 C42 K1 70.4(13) . . ?
N7 C42 C41 105(2) . . ?
N7 C42 N40 124(2) . . ?
N7 C42 C213 104(3) . . ?
C41 C42 K1 71(2) . . ?
N40 C42 K1 135.3(14) . . ?
N40 C42 C41 129(3) . . ?
C213 C42 K1 95(3) . . ?
C213 C42 N40 117(3) . . ?
C26 C40 K1 83(2) . . ?
C41 C40 K1 82(3) . . ?
C41 C40 C26 106(3) . . ?
C43 C40 K1 111(3) . . ?
C43 C40 C26 135(4) . . ?
C43 C40 C41 118(4) . . ?
C42 C41 K1 84(2) . . ?
C42 C41 C46 129(4) . . ?
C40 C41 K1 72(3) . . ?
C40 C41 C42 107(4) . . ?
C40 C41 C46 123(4) . . ?
C46 C41 K1 115(3) . . ?
C40 C43 H43 122.1 . . ?
C40 C43 C44 116(4) . . ?
C44 C43 H43 122.1 . . ?
C43 C44 H44 119.1 . . ?
C45 C44 C43 122(4) . . ?
C45 C44 H44 119.1 . . ?
C44 C45 H45 115.5 . . ?
C44 C45 C46 129(4) . . ?
C46 C45 H45 115.5 . . ?
C41 C46 H46 123.9 . . ?
C45 C46 C41 112(4) . . ?
C45 C46 H46 123.9 . . ?
O2 C51 K1 47(2) . . ?
O2 C51 C52 114(4) . . ?
C52 C51 K1 72.0(19) . . ?
O8 C52 K1 50.2(15) . . ?
O8 C52 O18 86(2) . . ?
O8 C52 C51 110(3) . . ?
O18 C52 K1 47.6(16) . . ?
O18 C52 C51 95(3) . . ?
C51 C52 K1 81(2) . . ?
N10 C55 K2 68.9(10) . . ?
N10 C55 N15 125.8(17) . . ?
N10 C55 C60 107.4(16) . . ?
N15 C55 K2 127.9(13) . . ?
N15 C55 C60 124.7(18) . . ?
C60 C55 K2 81.6(11) . . ?
C29 C59 K2 70.3(11) . . ?
C29 C59 C60 108.5(16) . . ?
C29 C59 C64 134.9(19) . . ?
C60 C59 K2 78.5(12) . . ?
C64 C59 K2 122.6(12) . . ?
C64 C59 C60 116.3(18) . . ?
C55 C60 K2 73.5(11) . . ?
C55 C60 C59 104.3(18) . . ?
C59 C60 K2 76.5(11) . . ?
C61 C60 K2 121.3(16) . . ?
C61 C60 C55 133.3(19) . . ?
C61 C60 C59 121.8(17) . . ?
C60 C61 H61 120.8 . . ?
C60 C61 C62 118(2) . . ?
C62 C61 H61 120.8 . . ?
C61 C62 H62 119.7 . . ?
C63 C62 C61 120.6(19) . . ?
C63 C62 H62 119.7 . . ?
C62 C63 H63 118.8 . . ?
C64 C63 C62 122.4(19) . . ?
C64 C63 H63 118.8 . . ?
C59 C64 H64 120.0 . . ?
C63 C64 C59 120.0(18) . . ?
C63 C64 H64 120.0 . . ?
C30 C65 H65 120.3 . . ?
C66 C65 C30 119(2) . . ?
C66 C65 H65 120.3 . . ?
C65 C66 H66 117.8 . . ?
C65 C66 C67 124(2) . . ?
C67 C66 H66 117.8 . . ?
C66 C67 H67 121.9 . . ?
C68 C67 C66 116(2) . . ?
C68 C67 H67 121.9 . . ?
C31 C68 H68 118.1 . . ?
C67 C68 C31 124(2) . . ?
C67 C68 H68 118.1 . . ?
O26 C70 H70A 109.5 . . ?
O26 C70 H70B 109.5 . . ?
O26 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
K2 C72 H72A 154.3 . . ?
K2 C72 H72B 92.6 . . ?
O24 C72 K2 47.3(16) . . ?
O24 C72 H72A 109.6 . . ?
O24 C72 H72B 109.6 . . ?
H72A C72 H72B 108.1 . . ?
C312 C72 K2 76(3) . . ?
C312 C72 O24 110(4) . . ?
C312 C72 H72A 109.6 . . ?
C312 C72 H72B 109.6 . . ?
C235 N40 C42 117.2(19) . . ?
N40 C235 N12 123(2) . . ?
N40 C235 C48 127(2) . . ?
N40 C235 N38 129(4) . . ?
N40 C235 C73 137(2) . . ?
N12 C235 C48 108(3) . . ?
N38 C235 C73 90(4) . . ?
C235 N12 C50 110(4) . . ?
C235 N12 B2 129(3) . . ?
C50 N12 B2 119(3) . . ?
C50 N14 C34 111(4) . . ?
C48 C236 H236 122.9 . . ?
C48 C236 C74 114(3) . . ?
C74 C236 H236 122.9 . . ?
C236 C48 C235 131(3) . . ?
C49 C48 C235 107(2) . . ?
C49 C48 C236 122(3) . . ?
C48 C49 C50 108(3) . . ?
C76 C49 C48 119(3) . . ?
C76 C49 C50 131(3) . . ?
N12 C50 C49 105(3) . . ?
N14 C50 N12 127(5) . . ?
N14 C50 C49 128(4) . . ?
C236 C74 H74 118.5 . . ?
C75 C74 C236 123(3) . . ?
C75 C74 H74 118.5 . . ?
C74 C75 H75 119.9 . . ?
C74 C75 C76 120(3) . . ?
C76 C75 H75 119.9 . . ?
C49 C76 H76 120.0 . . ?
C75 C76 C49 120(3) . . ?
C75 C76 H76 120.0 . . ?
C56 N16 C32 121(3) . . ?
C54 N30 B3 125(2) . . ?
C56 N30 C54 112(3) . . ?
C56 N30 B3 120(2) . . ?
N15 C54 N30 121(3) . . ?
N15 C54 C58 135(3) . . ?
N30 C54 C58 102(2) . . ?
N16 C56 N30 124(4) . . ?
N16 C56 C57 131(4) . . ?
N30 C56 C57 104(3) . . ?
C58 C57 C56 109(3) . . ?
C77 C57 C56 133(3) . . ?
C77 C57 C58 118(3) . . ?
C57 C58 C54 109(3) . . ?
C57 C58 C80 122(3) . . ?
C80 C58 C54 128(3) . . ?
C57 C77 H77 117.7 . . ?
C57 C77 C78 125(3) . . ?
C78 C77 H77 117.7 . . ?
C77 C78 H78 122.7 . . ?
C79 C78 C77 115(3) . . ?
C79 C78 H78 122.7 . . ?
C78 C79 H79 117.7 . . ?
C80 C79 C78 125(3) . . ?
C80 C79 H79 117.7 . . ?
C58 C80 H80 122.0 . . ?
C79 C80 C58 116(3) . . ?
C79 C80 H80 122.0 . . ?
K2 C81 H81A 146.1 . . ?
K2 C81 H81B 100.5 . . ?
K2 C81 H81C 73.4 . . ?
O24 C81 K2 43.3(18) . . ?
O24 C81 H81A 109.5 . . ?
O24 C81 H81B 109.5 . . ?
O24 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C83 C82 C89 126(2) . . ?
C87 C82 C83 126(2) . . ?
C87 C82 C89 109(2) . . ?
C82 C83 H83 123.6 . . ?
C84 C83 C82 113(3) . . ?
C84 C83 H83 123.6 . . ?
C83 C84 H84 119.2 . . ?
C85 C84 C83 122(3) . . ?
C85 C84 H84 119.2 . . ?
C84 C85 H85 117.8 . . ?
C84 C85 C86 124(3) . . ?
C86 C85 H85 117.8 . . ?
C85 C86 H86 120.7 . . ?
C85 C86 C87 119(3) . . ?
C87 C86 H86 120.7 . . ?
C82 C87 C86 117(2) . . ?
C82 C87 C88 106(2) . . ?
C88 C87 C86 136(3) . . ?
N17 C88 N18 125.0(19) . . ?
N17 C88 C87 109(2) . . ?
N18 C88 C87 124(2) . . ?
N17 C89 C82 103(2) . . ?
N21 C89 N17 125(2) . . ?
N21 C89 C82 132(2) . . ?
N18 C90 K3 134.7(13) . . ?
N18 C90 N19 123.2(19) . . ?
N18 C90 C92 125(2) . . ?
N19 C90 K3 69.5(10) . . ?
C92 C90 K3 75.1(12) . . ?
C92 C90 N19 109.5(17) . . ?
N20 C91 K4 73.2(12) . . ?
N21 C91 K4 135.9(17) . . ?
N21 C91 N20 116(2) . . ?
C97 C91 K4 78.8(15) . . ?
C97 C91 N20 105(2) . . ?
C97 C91 N21 131(2) . . ?
C90 C92 K3 81.1(12) . . ?
C90 C92 C93 105.3(19) . . ?
C93 C92 K3 70.8(11) . . ?
C98 C92 K3 117.8(15) . . ?
C98 C92 C90 138(2) . . ?
C98 C92 C93 116(2) . . ?
C92 C93 K3 82.9(12) . . ?
C94 C93 K3 74.8(11) . . ?
C94 C93 C92 108.0(18) . . ?
C94 C93 C101 136(2) . . ?
C101 C93 K3 109.5(14) . . ?
C101 C93 C92 115(2) . . ?
N19 C94 K3 80.4(11) . . ?
N19 C94 N22 117(2) . . ?
N19 C94 C93 106.2(18) . . ?
N22 C94 K3 114.1(13) . . ?
N22 C94 C93 136.1(19) . . ?
C93 C94 K3 78.6(12) . . ?
N20 C95 K4 76.9(13) . . ?
N20 C95 C96 108(2) . . ?
N22 C95 K4 115.4(15) . . ?
N22 C95 N20 118.1(19) . . ?
N22 C95 C96 133(2) . . ?
C96 C95 K4 81.4(15) . . ?
C95 C96 K4 73.1(14) . . ?
C95 C96 C97 104(2) . . ?
C97 C96 K4 76.9(15) . . ?
C102 C96 K4 121.2(16) . . ?
C102 C96 C95 132(2) . . ?
C102 C96 C97 123(2) . . ?
C91 C97 K4 77.1(15) . . ?
C91 C97 C96 111(2) . . ?
C91 C97 C105 131(3) . . ?
C96 C97 K4 76.7(14) . . ?
C105 C97 K4 119.9(18) . . ?
C105 C97 C96 117(2) . . ?
C92 C98 H98 117.5 . . ?
C92 C98 C99 125(2) . . ?
C99 C98 H98 117.5 . . ?
C98 C99 H99 120.9 . . ?
C98 C99 C100 118(2) . . ?
C100 C99 H99 120.9 . . ?
C99 C100 H100 118.5 . . ?
C101 C100 C99 123(3) . . ?
C101 C100 H100 118.5 . . ?
C93 C101 H101 118.8 . . ?
C100 C101 C93 122(2) . . ?
C100 C101 H101 118.9 . . ?
C96 C102 H102 121.2 . . ?
C103 C102 C96 118(3) . . ?
C103 C102 H102 121.2 . . ?
C102 C103 H103 119.8 . . ?
C102 C103 C104 120(3) . . ?
C104 C103 H103 119.8 . . ?
C103 C104 H104 118.0 . . ?
C105 C104 C103 124(3) . . ?
C105 C104 H104 118.0 . . ?
C97 C105 H105 121.0 . . ?
C104 C105 C97 118(3) . . ?
C104 C105 H105 121.0 . . ?
N23 C106 K4 112.7(13) . . ?
N24 C106 K4 74.6(12) . . ?
N24 C106 N23 114.6(19) . . ?
N24 C106 C116 111(2) . . ?
C116 C106 K4 92(2) . . ?
C116 C106 N23 132(2) . . ?
C229 C106 K4 71(3) . . ?
C229 C106 N23 139(4) . . ?
C229 C106 N24 106(4) . . ?
N23 C107 K3 117.5(12) . . ?
N23 C107 C128 135.8(18) . . ?
N25 C107 K3 79.2(11) . . ?
N25 C107 N23 117.6(17) . . ?
N25 C107 C128 105.7(17) . . ?
C128 C107 K3 77.5(11) . . ?
N26 C108 K3 72.2(11) . . ?
N26 C108 N27 116.1(17) . . ?
N27 C108 K3 115.6(11) . . ?
C112 C108 K3 85.1(13) . . ?
C112 C108 N26 107.5(18) . . ?
C112 C108 N27 135.5(18) . . ?
N27 C109 K4 116.3(13) . . ?
N41 C109 K4 82.3(12) . . ?
N41 C109 N27 116(2) . . ?
C138 C109 K4 77.1(14) . . ?
C138 C109 N27 135(2) . . ?
C138 C109 N41 108.4(19) . . ?
N26 C110 K3 71.0(10) . . ?
N29 C110 K3 132.0(14) . . ?
N29 C110 N26 124.1(18) . . ?
N29 C110 C111 124.4(18) . . ?
C111 C110 K3 82.9(12) . . ?
C111 C110 N26 106.3(17) . . ?
C110 C111 K3 72.0(12) . . ?
C110 C111 C112 104.4(17) . . ?
C112 C111 K3 76.9(11) . . ?
C145 C111 K3 124.6(15) . . ?
C145 C111 C110 131.8(19) . . ?
C145 C111 C112 122.8(17) . . ?
C108 C112 K3 71.5(12) . . ?
C108 C112 C111 110.8(16) . . ?
C108 C112 C148 137.3(18) . . ?
C111 C112 K3 77.1(11) . . ?
C148 C112 K3 119.9(12) . . ?
C148 C112 C111 111.8(17) . . ?
N28 C113 N29 130(2) . . ?
N28 C113 C150 113(2) . . ?
N29 C113 C150 117(2) . . ?
K4 C115 H11A 154.8 . . ?
K4 C115 H11B 91.2 . . ?
C330 C115 K4 74(3) . . ?
C330 C115 H11A 110.7 . . ?
C330 C115 H11B 110.7 . . ?
O6 C115 K4 46(3) . . ?
O6 C115 C330 105(4) . . ?
O6 C115 H11A 110.7 . . ?
O6 C115 H11B 110.7 . . ?
H11A C115 H11B 108.8 . . ?
C106 C116 C121 103(3) . . ?
C117 C116 C106 134(4) . . ?
C117 C116 C121 122(4) . . ?
C116 C117 H117 119.4 . . ?
C116 C117 C118 121(4) . . ?
C118 C117 H117 119.4 . . ?
C117 C118 H118 120.8 . . ?
C117 C118 C119 118(3) . . ?
C119 C118 H118 120.8 . . ?
C118 C119 H119 119.1 . . ?
C120 C119 C118 122(3) . . ?
C120 C119 H119 119.1 . . ?
C119 C120 H120 121.2 . . ?
C119 C120 C121 118(3) . . ?
C121 C120 H120 121.2 . . ?
C116 C121 C120 117(3) . . ?
C122 C121 C116 113(4) . . ?
C122 C121 C120 130(4) . . ?
N24 C122 K4 68.6(11) . . ?
N33 C122 K4 131.5(15) . . ?
N33 C122 N24 119.9(19) . . ?
C121 C122 K4 88(2) . . ?
C121 C122 N24 105(3) . . ?
C121 C122 N33 128(3) . . ?
C234 C122 K4 70(4) . . ?
C234 C122 N24 106(4) . . ?
C234 C122 N33 134(5) . . ?
N31 C123 N32 127.0(18) . . ?
N31 C123 C127 106.5(18) . . ?
N32 C123 C127 125.4(18) . . ?
N25 C124 K3 71.5(10) . . ?
N25 C124 C129 105.0(17) . . ?
N32 C124 K3 134.9(13) . . ?
N32 C124 N25 124.8(18) . . ?
N32 C124 C129 126.7(18) . . ?
C129 C124 K3 74.5(11) . . ?
N31 C125 C126 108.3(18) . . ?
N33 C125 N31 124.8(19) . . ?
N33 C125 C126 124.4(19) . . ?
C127 C126 C125 104.8(18) . . ?
C152 C126 C125 136(2) . . ?
C152 C126 C127 119(2) . . ?
C126 C127 C123 105.9(18) . . ?
C126 C127 C155 121.5(19) . . ?
C155 C127 C123 131(2) . . ?
C107 C128 K3 75.6(11) . . ?
C129 C128 K3 81.2(12) . . ?
C129 C128 C107 107.3(17) . . ?
C133 C128 K3 113.1(15) . . ?
C133 C128 C107 133(2) . . ?
C133 C128 C129 119(2) . . ?
C124 C129 K3 80.1(11) . . ?
C128 C129 K3 73.5(11) . . ?
C128 C129 C124 108.1(18) . . ?
C128 C129 C130 121(2) . . ?
C130 C129 K3 115.5(15) . . ?
C130 C129 C124 131(2) . . ?
C129 C130 H130 120.6 . . ?
C131 C130 C129 119(2) . . ?
C131 C130 H130 120.6 . . ?
C130 C131 H131 118.6 . . ?
C130 C131 C132 123(2) . . ?
C132 C131 H131 118.6 . . ?
C131 C132 H132 120.5 . . ?
C133 C132 C131 119(2) . . ?
C133 C132 H132 120.5 . . ?
C128 C133 H133 120.5 . . ?
C132 C133 C128 119(2) . . ?
C132 C133 H133 120.5 . . ?
C109 C138 K4 76.8(13) . . ?
C109 C138 C139 134(2) . . ?
C109 C138 C143 106(2) . . ?
C139 C138 K4 110.3(16) . . ?
C139 C138 C143 120(2) . . ?
C143 C138 K4 83.9(13) . . ?
C138 C139 H139 120.7 . . ?
C140 C139 C138 119(2) . . ?
C140 C139 H139 120.7 . . ?
C139 C140 H140 119.5 . . ?
C139 C140 C141 121(3) . . ?
C141 C140 H140 119.5 . . ?
C140 C141 H141 119.1 . . ?
C142 C141 C140 122(2) . . ?
C142 C141 H141 119.1 . . ?
C141 C142 H142 120.9 . . ?
C143 C142 C141 118(2) . . ?
C143 C142 H142 120.9 . . ?
C138 C143 K4 68.9(12) . . ?
C142 C143 K4 117.9(17) . . ?
C142 C143 C138 120(2) . . ?
C142 C143 C144 132(2) . . ?
C144 C143 K4 83.6(14) . . ?
C144 C143 C138 108(2) . . ?
N34 C144 K4 138.5(14) . . ?
N41 C144 K4 69.3(12) . . ?
N41 C144 N34 119(2) . . ?
N41 C144 C143 107(2) . . ?
C143 C144 K4 72.4(14) . . ?
C143 C144 N34 131(2) . . ?
C111 C145 H145 120.3 . . ?
C146 C145 C111 119(2) . . ?
C146 C145 H145 120.3 . . ?
C145 C146 H146 119.2 . . ?
C145 C146 C147 122(2) . . ?
C147 C146 H146 119.2 . . ?
C146 C147 H147 118.6 . . ?
C148 C147 C146 123(2) . . ?
C148 C147 H147 118.6 . . ?
C112 C148 H148 119.3 . . ?
C147 C148 C112 121.3(18) . . ?
C147 C148 H148 119.3 . . ?
N28 C149 C151 104(2) . . ?
N34 C149 N28 127(2) . . ?
N34 C149 C151 128(2) . . ?
C113 C150 C151 100(2) . . ?
C156 C150 C113 141(3) . . ?
C156 C150 C151 119(2) . . ?
C150 C151 C149 107(2) . . ?
C159 C151 C149 133(3) . . ?
C159 C151 C150 119(3) . . ?
C126 C152 H152 121.6 . . ?
C126 C152 C153 117(2) . . ?
C153 C152 H152 121.6 . . ?
C152 C153 H153 119.0 . . ?
C154 C153 C152 122(2) . . ?
C154 C153 H153 119.0 . . ?
C153 C154 H154 117.1 . . ?
C155 C154 C153 126(3) . . ?
C155 C154 H154 117.1 . . ?
C127 C155 H155 122.8 . . ?
C154 C155 C127 114(2) . . ?
C154 C155 H155 122.8 . . ?
C150 C156 H156 118.9 . . ?
C157 C156 C150 122(3) . . ?
C157 C156 H156 118.9 . . ?
C156 C157 H157 122.9 . . ?
C158 C157 C156 114(3) . . ?
C158 C157 H157 122.9 . . ?
C157 C158 H158 113.8 . . ?
C157 C158 C159 132(3) . . ?
C159 C158 H158 113.8 . . ?
C151 C159 C158 112(3) . . ?
C151 C159 H159 123.8 . . ?
C158 C159 H159 123.8 . . ?
O11 C161 H16A 113.9 . . ?
O11 C161 H16B 113.9 . . ?
O11 C161 C162 88(3) . . ?
H16A C161 H16B 111.1 . . ?
C162 C161 H16A 113.9 . . ?
C162 C161 H16B 113.9 . . ?
O3 C162 C333 37.8(18) . 3_665 ?
O3 C162 C161 121(4) . . ?
C333 C162 O3 42(2) 2_655 . ?
C333 C162 C333 72(4) 2_655 3_665 ?
C333 C162 C161 103(3) 3_665 . ?
C333 C162 C161 97(4) 2_655 . ?
O10 C164 C166 84(3) . . ?
O1 C166 K5 63(3) . . ?
O1 C166 C164 163(5) . . ?
C357 C166 K5 119(3) . . ?
C357 C166 O1 66(2) . . ?
C357 C166 C164 116(5) . . ?
C164 C166 K5 106(3) . . ?
O11 C167 O12 90(2) . . ?
O11 C167 H16C 113.7 . . ?
O11 C167 H16D 113.7 . . ?
O12 C167 H16C 113.7 . . ?
O12 C167 H16D 113.7 . . ?
H16C C167 H16D 111.0 . . ?
O12 C168 H16E 111.0 . . ?
O12 C168 H16F 111.0 . . ?
O12 C168 C169 104(3) . . ?
H16E C168 H16F 109.0 . . ?
C169 C168 H16E 111.0 . . ?
C169 C168 H16F 111.0 . . ?
O10 C169 C168 112(3) . . ?
O10 C169 H16G 109.2 . . ?
O10 C169 H16H 109.2 . . ?
C168 C169 H16G 109.2 . . ?
C168 C169 H16H 109.2 . . ?
H16G C169 H16H 107.9 . . ?
O13 C173 C358 69(4) . . ?
O13 C173 C175 59(3) . . ?
C358 C173 C175 99(4) . . ?
O13 C175 O14 66(3) . . ?
O13 C175 C173 49(2) . . ?
O14 C175 C173 115(4) . . ?
O27 C176 K8 72(3) . . ?
O27 C176 C323 37(3) . . ?
C323 C176 K8 93(3) . . ?
O5 C180 K8 69(3) . . ?
O5 C180 C323 108(5) . . ?
C323 C180 K8 97(3) . . ?
C324 C180 K8 140(7) . . ?
C324 C180 O5 93(7) . . ?
C324 C180 C323 54(6) . . ?
O21 C181 H18A 109.5 . . ?
O21 C181 H18B 109.5 . . ?
O21 C181 H18C 109.5 . . ?
H18A C181 H18B 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
O22 C182 H18D 110.2 . . ?
O22 C182 H18E 110.2 . . ?
O22 C182 C183 107(3) . . ?
H18D C182 H18E 108.5 . . ?
C183 C182 H18D 110.2 . . ?
C183 C182 H18E 110.2 . . ?
O21 C183 C182 114(3) . . ?
O21 C183 H18F 108.8 . . ?
O21 C183 H18G 108.8 . . ?
C182 C183 H18F 108.8 . . ?
C182 C183 H18G 108.8 . . ?
H18F C183 H18G 107.7 . . ?
O23 C184 C184 110(3) . 2_755 ?
O23 C184 C184 107(4) . 3_775 ?
C184 C184 C184 60.00(3) 3_775 2_755 ?
C366 C184 O23 162(6) . . ?
C366 C184 C184 88(4) . 3_775 ?
C366 C184 C184 86(4) . 2_755 ?
K13 C185 H18H 80.9 . . ?
K13 C185 H18I 83.0 . . ?
K13 C185 H18J 158.7 . . ?
O22 C185 K13 49.3(19) . . ?
O22 C185 H18H 109.5 . . ?
O22 C185 H18I 109.5 . . ?
O22 C185 H18J 109.5 . . ?
H18H C185 H18I 109.5 . . ?
H18H C185 H18J 109.5 . . ?
H18I C185 H18J 109.5 . . ?
O29 C300 H30A 109.5 . . ?
O29 C300 H30B 109.5 . . ?
O29 C300 H30C 109.5 . . ?
H30A C300 H30B 109.5 . . ?
H30A C300 H30C 109.5 . . ?
H30B C300 H30C 109.5 . . ?
K3 C301 H30D 109.8 . . ?
K3 C301 H30E 139.6 . . ?
O29 C301 K3 43.7(15) . . ?
O29 C301 H30D 112.8 . . ?
O29 C301 H30E 112.8 . . ?
O29 C301 C303 95(3) . . ?
H30D C301 H30E 110.2 . . ?
C303 C301 K3 54.8(19) . . ?
C303 C301 H30D 112.8 . . ?
C303 C301 H30E 112.8 . . ?
K3 C302 H30F 113.8 . . ?
K3 C302 H30G 135.3 . . ?
K3 C302 H30H 66.0 . . ?
O30 C302 K3 45.0(16) . . ?
O30 C302 H30F 109.5 . . ?
O30 C302 H30G 109.5 . . ?
O30 C302 H30H 109.5 . . ?
H30F C302 H30G 109.5 . . ?
H30F C302 H30H 109.5 . . ?
H30G C302 H30H 109.5 . . ?
K3 C303 H30I 48.8 . . ?
K3 C303 H30J 149.8 . . ?
O30 C303 K3 69(2) . . ?
O30 C303 C301 101(3) . . ?
O30 C303 H30I 111.6 . . ?
O30 C303 H30J 111.6 . . ?
C301 C303 K3 97(2) . . ?
C301 C303 H30I 111.6 . . ?
C301 C303 H30J 111.6 . . ?
H30I C303 H30J 109.4 . . ?
O4 C304 K4 107(5) . . ?
O6 C305 H30K 109.5 . . ?
O6 C305 H30L 109.5 . . ?
O6 C305 H30M 109.5 . . ?
H30K C305 H30L 109.5 . . ?
H30K C305 H30M 109.5 . . ?
H30L C305 H30M 109.5 . . ?
C308 C307 K10 79(3) . . ?
C308 C307 K12 54(3) . . ?
C308 C307 C319 116(4) . . ?
C319 C307 K10 77(3) . . ?
C319 C307 K12 82(3) . . ?
O25 C308 K10 100(3) . . ?
O25 C308 K12 78(3) . . ?
O25 C308 C307 161(5) . . ?
C307 C308 K10 70(3) . . ?
C307 C308 K12 97(3) . . ?
O25 C309 K12 74(3) . . ?
K2 C312 H31A 155.6 . . ?
K2 C312 H31B 87.2 . . ?
O26 C312 K2 48.1(19) . . ?
O26 C312 H31A 107.8 . . ?
O26 C312 H31B 107.8 . . ?
C72 C312 K2 85(3) . . ?
C72 C312 O26 118(5) . . ?
C72 C312 H31A 107.8 . . ?
C72 C312 H31B 107.8 . . ?
H31A C312 H31B 107.2 . . ?
O16 C314 C358 90(3) . . ?
O14 C318 K6 80(2) . . ?
O7 C319 K10 71(2) . . ?
O7 C319 K12 96(3) . . ?
C307 C319 K10 72(3) . . ?
C307 C319 K12 71(3) . . ?
C307 C319 O7 110(4) . . ?
O9 C320 K11 64(2) . . ?
O9 C320 C321 105(4) . . ?
C321 C320 K11 49(3) . . ?
C326 C320 K11 64(3) . . ?
C326 C320 O9 61(4) . . ?
C326 C320 C321 105(5) . . ?
O15 C321 K7 125(3) . . ?
O15 C321 K11 105(3) . . ?
O15 C321 C320 139(6) . . ?
C320 C321 K7 93(3) . . ?
C320 C321 K11 106(3) . . ?
O5 C322 H32G 111.9 . . ?
O5 C322 H32H 111.9 . . ?
O5 C322 C325 99(4) . . ?
H32G C322 H32H 109.6 . . ?
C325 C322 H32G 111.9 . . ?
C325 C322 H32H 111.9 . . ?
O27 C323 C176 56(4) . . ?
O27 C323 C180 82(5) . . ?
O27 C323 C324 116(7) . . ?
C180 C323 C176 109(4) . . ?
C324 C323 C176 132(5) . . ?
C324 C323 C180 35(3) . . ?
C180 C324 O5 50(5) . . ?
C180 C324 C323 91(7) . . ?
C323 C324 O5 106(4) . . ?
O17 C325 K8 60(3) . . ?
C322 C325 K8 92(4) . . ?
C322 C325 O17 152(5) . . ?
O9 C326 K7 99(3) . . ?
O9 C326 K11 76(3) . . ?
O9 C326 C361 69(3) . . ?
C320 C326 K7 118(4) . . ?
C320 C326 K11 93(4) . . ?
C320 C326 O9 65(4) . . ?
C320 C326 C361 132(5) . . ?
C361 C326 K7 79(2) . . ?
C361 C326 K11 86(3) . . ?
O15 C327 H32A 109.5 . . ?
O15 C327 H32B 109.5 . . ?
O15 C327 H32C 109.5 . . ?
H32A C327 H32B 109.5 . . ?
H32A C327 H32C 109.5 . . ?
H32B C327 H32C 109.5 . . ?
H32D C327 H32E 109.5 . . ?
H32D C327 H32F 109.5 . . ?
H32E C327 H32F 109.5 . . ?
O19 C329 K7 48(5) . . ?
O19 C329 O28 93(5) . . ?
O19 C329 C360 93(7) . . ?
O19 C329 C362 50(6) . . ?
O28 C329 K7 57.4(14) . . ?
C360 C329 K7 94(3) . . ?
C360 C329 O28 53(2) . . ?
C360 C329 C362 57(4) . . ?
C362 C329 K7 88(3) . . ?
C362 C329 O28 95(4) . . ?
O28 C360 O19 75(3) . . ?
O28 C360 C329 72(3) . . ?
O28 C360 C362 116(5) . . ?
C329 C360 O19 28(3) . . ?
C329 C360 C362 70(5) . . ?
C362 C360 O19 49(3) . . ?
O28 C361 K7 59(2) . . ?
O28 C361 K11 76(3) . . ?
O28 C361 C326 118(4) . . ?
C326 C361 K7 63(2) . . ?
C326 C361 K11 60(2) . . ?
O19 C362 C329 27(3) . . ?
O19 C362 C360 73(4) . . ?
C360 C362 C329 54(3) . . ?
O31 C366 C366 60(3) . 3_775 ?
O31 C366 C366 60(3) . 2_755 ?
C184 C366 O31 148(6) . . ?
C184 C366 C366 92(4) . 3_775 ?
C184 C366 C366 94(4) . 2_755 ?
C366 C366 C366 60.00(2) 2_755 3_775 ?
O31 C367 K10 180.0 . 1_656 ?
C106 C229 K4 85(4) . . ?
C106 C229 C230 137(7) . . ?
C106 C229 C234 107(6) . . ?
C230 C229 K4 102(4) . . ?
C234 C229 K4 80(4) . . ?
C234 C229 C230 116(7) . . ?
C229 C230 H230 121.7 . . ?
C231 C230 C229 117(6) . . ?
C231 C230 H230 121.7 . . ?
C230 C231 H231 117.1 . . ?
C232 C231 C230 126(6) . . ?
C232 C231 H231 117.1 . . ?
C231 C232 H232 118.2 . . ?
C231 C232 C233 124(7) . . ?
C233 C232 H232 118.2 . . ?
C232 C233 H233 118.7 . . ?
C232 C233 C234 123(7) . . ?
C234 C233 H233 118.7 . . ?
C122 C234 K4 89(4) . . ?
C122 C234 C229 109(7) . . ?
C122 C234 C233 136(7) . . ?
C229 C234 K4 72(4) . . ?
C229 C234 C233 114(7) . . ?
C233 C234 K4 103(5) . . ?
C33 C225 H225 113.8 . . ?
C226 C225 C33 132(5) . . ?
C226 C225 H225 113.8 . . ?
C225 C226 H226 121.3 . . ?
C225 C226 C227 117(5) . . ?
C227 C226 H226 121.3 . . ?
C226 C227 H227 116.8 . . ?
C228 C227 C226 126(6) . . ?
C228 C227 H227 116.8 . . ?
C35 C228 H228 123.2 . . ?
C227 C228 C35 114(5) . . ?
C227 C228 H228 123.2 . . ?
C34 N37 C219 118(8) . . ?
C235 N38 B2 111(4) . . ?
C219 N38 C235 116(7) . . ?
C219 N38 B2 132(7) . . ?
N38 C219 N37 114(9) . . ?
C221 C219 N37 129(8) . . ?
C221 C219 N38 111(7) . . ?
C219 C221 C222 130(4) . . ?
C219 C221 C73 110(4) . . ?
C222 C221 C73 120.0 . . ?
C221 C222 H222 120.0 . . ?
C221 C222 C223 120.0 . . ?
C223 C222 H222 120.0 . . ?
C222 C223 H223 120.0 . . ?
C224 C223 C222 120.0 . . ?
C224 C223 H223 120.0 . . ?
C223 C224 H224 120.0 . . ?
C47 C224 C223 120.0 . . ?
C47 C224 H224 120.0 . . ?
C224 C47 H47 120.0 . . ?
C73 C47 C224 120.0 . . ?
C73 C47 H47 120.0 . . ?
C221 C73 C235 112(2) . . ?
C47 C73 C235 128(2) . . ?
C47 C73 C221 120.0 . . ?
C42 C213 C214 137(5) . . ?
C42 C213 C218 110(4) . . ?
C218 C213 C214 112(5) . . ?
C213 C214 H214 116.7 . . ?
C215 C214 C213 127(5) . . ?
C215 C214 H214 116.7 . . ?
C214 C215 H215 121.6 . . ?
C214 C215 C216 117(4) . . ?
C216 C215 H215 121.6 . . ?
C215 C216 H216 120.1 . . ?
C217 C216 C215 120(5) . . ?
C217 C216 H216 120.0 . . ?
C216 C217 H217 119.7 . . ?
C216 C217 C218 121(5) . . ?
C218 C217 H217 119.7 . . ?
C26 C218 C213 103(4) . . ?
C217 C218 C26 134(5) . . ?
C217 C218 C213 123(5) . . ?
B1 N39 C197 125(4) . . ?
C208 N39 B1 118(4) . . ?
C208 N39 C197 117(4) . . ?
N3 C197 N39 113(5) . . ?
N3 C197 C206 139(5) . . ?
C206 C197 N39 87(4) . . ?
C207 C206 C197 120(4) . . ?
C207 C206 C209 121(4) . . ?
C209 C206 C197 118(4) . . ?
C206 C207 C208 113(4) . . ?
C206 C207 C210 122(4) . . ?
C208 C207 C210 125(5) . . ?
N39 C208 N4 121(4) . . ?
N39 C208 C207 102(4) . . ?
C207 C208 N4 135(4) . . ?
C206 C209 H209 122.8 . . ?
C206 C209 C212 114(4) . . ?
C212 C209 H209 122.8 . . ?
C207 C210 H210 120.6 . . ?
C211 C210 C207 119(4) . . ?
C211 C210 H210 120.6 . . ?
C210 C211 H211 120.4 . . ?
C210 C211 C212 119(5) . . ?
C212 C211 H211 120.4 . . ?
C209 C212 H212 118.2 . . ?
C211 C212 C209 124(4) . . ?
C211 C212 H212 118.2 . . ?
C32 N35 C198 110(7) . . ?
C198 N36 C201 101(6) . . ?
C198 N36 B3 143(7) . . ?
B3 N36 C201 113(5) . . ?
N35 C198 N36 117(9) . . ?
N35 C198 C199 124(9) . . ?
N36 C198 C199 118(8) . . ?
C198 C199 C200 103(6) . . ?
C202 C199 C198 143(7) . . ?
C202 C199 C200 113(6) . . ?
C201 C200 C199 106(6) . . ?
C205 C200 C199 123(7) . . ?
C205 C200 C201 130(7) . . ?
N36 C201 N15 125(5) . . ?
C200 C201 N15 126(6) . . ?
C200 C201 N36 109(6) . . ?
C199 C202 H202 116.4 . . ?
C199 C202 C203 127(7) . . ?
C203 C202 H202 116.4 . . ?
C202 C203 H203 119.8 . . ?
C204 C203 C202 120(7) . . ?
C204 C203 H203 119.8 . . ?
C203 C204 H204 120.8 . . ?
C203 C204 C205 118(6) . . ?
C205 C204 H204 120.8 . . ?
C200 C205 C204 117(6) . . ?
C200 C205 H205 121.6 . . ?
C204 C205 H205 121.6 . . ?
B1 N1 K2 120.0(12) . . ?
C11 N1 K2 84.6(10) . . ?
C11 N1 B1 123.8(16) . . ?
C12 N1 K2 73.9(10) . . ?
C12 N1 B1 124.8(18) . . ?
C12 N1 C11 109.9(16) . . ?
N7 B2 N38 108(3) . . ?
N8 B2 N7 104.5(16) . . ?
N8 B2 N38 98(3) . . ?
N11 B2 N7 113.1(17) . . ?
N11 B2 N8 114.0(18) . . ?
N11 B2 N12 117(2) . . ?
N11 B2 N38 118(3) . . ?
N12 B2 N7 99(2) . . ?
N12 B2 N8 107(2) . . ?
N5 B3 N10 112.7(17) . . ?
N5 B3 N30 116.6(18) . . ?
N9 B3 N5 113.2(18) . . ?
N9 B3 N10 105.2(16) . . ?
N9 B3 N30 106.0(19) . . ?
N10 B3 N30 101.9(18) . . ?
N36 B3 N5 116(3) . . ?
N36 B3 N9 91(3) . . ?
N36 B3 N10 116(3) . . ?
N17 B4 N20 101.8(18) . . ?
N17 B4 N23 119.5(18) . . ?
N19 B4 N17 104.2(19) . . ?
N19 B4 N20 103.4(17) . . ?
N19 B4 N23 113.7(19) . . ?
N20 B4 N23 112.4(19) . . ?
N24 B5 N25 104.1(16) . . ?
N24 B5 N31 102.2(17) . . ?
N25 B5 N31 102.9(16) . . ?
N27 B5 N24 113.0(18) . . ?
N27 B5 N25 114.2(18) . . ?
N27 B5 N31 118.8(17) . . ?
N22 B7 N28 113.7(19) . . ?
N26 B7 N22 114.5(18) . . ?
N26 B7 N28 103.5(19) . . ?
N41 B7 N22 110(2) . . ?
N41 B7 N26 109.5(19) . . ?
N41 B7 N28 105.6(18) . . ?
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
K1 O2 2.89(3) . ?
K1 O8 2.69(3) . ?
K1 O18 2.62(3) . ?
K1 N2 3.12(2) . ?
K1 N7 3.158(18) . ?
K1 C13 3.15(2) . ?
K1 C26 3.19(2) . ?
K1 C28 3.07(2) . ?
K1 C30 3.07(2) . ?
K1 C31 3.21(2) . ?
K1 C40 3.05(5) . ?
K1 C41 3.17(5) . ?
K2 O24 2.72(3) . ?
K2 O26 2.73(3) . ?
K2 N8 3.162(17) . ?
K2 N10 3.061(17) . ?
K2 C12 3.134(19) . ?
K2 C17 3.18(2) . ?
K2 C27 3.15(2) . ?
K2 C29 3.17(2) . ?
K2 C33 3.17(2) . ?
K2 C35 3.29(2) . ?
K2 C55 3.27(2) . ?
K2 N1 3.225(16) . ?
K3 O29 2.48(3) . ?
K3 O30 2.61(3) . ?
K3 N19 3.204(18) . ?
K3 N25 3.164(17) . ?
K3 N26 3.035(18) . ?
K3 C93 3.18(2) . ?
K3 C94 3.13(2) . ?
K3 C107 3.13(2) . ?
K3 C108 3.16(2) . ?
K3 C110 3.18(2) . ?
K3 C128 3.15(2) . ?
K3 C303 2.77(5) . ?
K4 O6 2.79(4) . ?
K4 N20 3.16(2) . ?
K4 N24 3.150(19) . ?
K4 N41 3.18(2) . ?
K4 C95 3.18(3) . ?
K4 C106 3.22(2) . ?
K4 C109 3.05(2) . ?
K4 C138 3.05(2) . ?
K4 C143 3.26(2) . ?
K4 C304 3.07(5) . ?
K4 C229 3.05(7) . ?
K4 C234 3.16(8) . ?
K5 O1 2.64(5) . ?
K5 C333 2.93(5) . ?
K5 C333 2.93(5) 3_665 ?
K5 C333 2.93(5) 2_655 ?
K5 O10 2.96(3) . ?
K5 O10 2.96(3) 3_665 ?
K5 O11 2.67(3) . ?
K5 O11 2.67(3) 2_655 ?
K5 O11 2.67(3) 3_665 ?
K5 O12 2.92(3) 2_655 ?
K5 O12 2.92(3) 3_665 ?
K5 O12 2.92(3) . ?
K6 C332 2.631(14) 2_655 ?
K6 C332 2.631(14) . ?
K6 C332 2.631(14) 3_665 ?
K6 O13 2.64(3) . ?
K6 O13 2.64(3) 3_665 ?
K6 O13 2.64(3) 2_655 ?
K6 O16 2.81(3) 3_665 ?
K6 O16 2.81(3) . ?
K6 O16 2.81(3) 2_655 ?
K6 C318 2.71(5) 2_655 ?
K6 C318 2.71(5) . ?
K6 C318 2.71(5) 3_665 ?
K7 O19 2.74(5) 2_765 ?
K7 O19 2.74(5) 3_675 ?
K7 O19 2.74(5) . ?
K7 O28 2.72(4) 2_765 ?
K7 O28 2.72(4) . ?
K7 O28 2.72(4) 3_675 ?
K7 C326 2.89(6) 2_765 ?
K7 C326 2.89(6) . ?
K7 C326 2.89(6) 3_675 ?
K7 C361 3.17(6) 2_765 ?
K7 C361 3.17(6) 3_675 ?
K7 C361 3.17(6) . ?
K10 O7 2.83(4) 2_665 ?
K10 O7 2.83(4) . ?
K10 O7 2.83(4) 3_565 ?
K10 C307 2.81(5) . ?
K10 C307 2.81(5) 2_665 ?
K10 C307 2.81(5) 3_565 ?
K10 C308 2.93(5) 3_565 ?
K10 C308 2.93(5) 2_665 ?
K10 C319 2.89(5) 2_665 ?
K10 C319 2.89(5) 3_565 ?
K10 C319 2.89(5) . ?
K10 C367 2.76(7) 1_454 ?
K9 O21 2.87(3) . ?
K9 O21 2.87(3) 2_755 ?
K9 O21 2.87(3) 3_775 ?
K9 O22 2.77(3) 2_755 ?
K9 O22 2.77(3) 3_775 ?
K9 O22 2.77(3) . ?
K9 O23 3.04(4) 3_775 ?
K9 O23 3.04(4) . ?
K9 O23 3.04(4) 2_755 ?
K8 O5 2.71(2) . ?
K8 O5 2.71(2) 2_765 ?
K8 O5 2.71(2) 3_675 ?
K8 O17 2.81(4) 2_765 ?
K8 O17 2.81(5) 3_675 ?
K8 O17 2.81(5) . ?
K8 O27 2.93(4) . ?
K8 O27 2.93(4) 2_765 ?
K8 O27 2.93(4) 3_675 ?
K8 C180 2.89(7) 2_765 ?
K8 C180 2.89(7) . ?
K8 C180 2.89(7) 3_675 ?
K11 O9 3.05(4) 3_675 ?
K11 O9 3.05(4) . ?
K11 O9 3.05(4) 2_765 ?
K11 O15 3.363(14) . ?
K11 O15 3.363(14) 2_765 ?
K11 O15 3.363(14) 3_675 ?
K11 C321 2.65(6) . ?
K11 C321 2.65(6) 2_765 ?
K11 C321 2.65(6) 3_675 ?
K11 C326 3.06(6) 3_675 ?
K11 C326 3.06(6) . ?
K11 C326 3.06(6) 2_765 ?
K12 O25 2.68(4) 2_665 ?
K12 O25 2.68(4) 3_565 ?
K12 O25 2.68(4) . ?
K12 C307 3.12(5) . ?
K12 C307 3.12(5) 3_565 ?
K12 C307 3.12(5) 2_665 ?
K12 C308 2.54(5) 2_665 ?
K12 C308 2.54(5) 3_565 ?
K12 C308 2.54(5) . ?
K12 C309 2.65(6) . ?
K12 C309 2.65(6) 3_565 ?
K12 C309 2.65(6) 2_665 ?
K13 O21 3.07(4) . ?
K13 O21 3.07(4) 3_775 ?
K13 O21 3.07(4) 2_755 ?
K13 O22 2.81(3) 2_755 ?
K13 O22 2.81(3) 3_775 ?
K13 O22 2.81(3) . ?
K13 O23 2.65(5) 3_775 ?
K13 O23 2.65(5) . ?
K13 O23 2.65(5) 2_755 ?
K13 C185 3.52(4) 2_755 ?
K13 C185 3.52(4) . ?
K13 C185 3.52(4) 3_775 ?
O1 C357 1.51(3) 3_665 ?
O1 C357 1.51(3) . ?
O1 C357 1.51(3) 2_655 ?
O1 C166 1.52(2) 3_665 ?
O1 C166 1.52(2) 2_655 ?
O1 C166 1.52(2) . ?
O2 C51 1.08(5) . ?
O2 C311 1.41(5) . ?
O3 C333 1.02(5) 3_665 ?
O3 C333 1.02(5) . ?
O3 C333 1.02(5) 2_655 ?
O3 C162 1.50(3) 2_655 ?
O3 C162 1.50(3) 3_665 ?
O3 C162 1.50(3) . ?
O4 C330 1.53(3) . ?
O4 C304 0.87(5) . ?
O5 C180 1.32(7) . ?
O5 C322 1.44(6) . ?
O5 C324 1.72(7) . ?
C330 H33A 0.9900 . ?
C330 H33B 0.9900 . ?
C330 C115 1.64(7) . ?
C331 C332 1.49(3) . ?
C331 C359 1.70(7) . ?
C331 O16 1.50(3) . ?
C332 C359 1.24(3) . ?
C332 O16 1.54(6) . ?
C332 O20 1.52(3) . ?
C332 O20 1.26(5) 3_665 ?
C333 C333 1.72(8) 3_665 ?
C333 C333 1.72(8) 2_655 ?
C333 C162 1.62(6) 2_655 ?
C333 C162 1.27(6) 3_665 ?
C334 C334 1.77(11) 3_675 ?
C334 C334 1.77(11) 2_765 ?
C334 O17 1.64(8) . ?
C355 O8 1.21(5) . ?
C356 O18 1.50(3) . ?
C357 C166 1.24(6) . ?
O6 C115 1.24(6) . ?
O6 C305 1.46(6) . ?
O7 C306 1.39(6) . ?
O7 C319 1.66(6) . ?
O8 C52 1.50(3) . ?
O9 C320 1.51(3) . ?
O9 C326 1.46(8) . ?
O10 C164 1.46(6) . ?
O10 C169 1.26(5) . ?
O11 C161 1.51(3) . ?
O11 C167 1.40(4) . ?
O12 C167 1.49(4) . ?
O12 C168 1.29(5) . ?
O13 C358 1.46(6) . ?
O13 O14 1.53(4) . ?
O13 C173 1.22(5) . ?
O13 C175 1.39(5) . ?
C358 C173 1.34(7) . ?
C358 C314 1.53(6) . ?
C359 O20 1.48(3) . ?
C359 O20 1.30(6) 3_665 ?
O14 C175 1.43(5) . ?
O14 C318 1.56(3) . ?
O15 C321 1.49(3) . ?
O15 C327 1.52(3) . ?
O16 C314 1.44(4) . ?
O17 C325 1.55(3) . ?
O18 C52 1.53(3) . ?
O19 C329 0.82(6) . ?
O19 C360 1.76(8) . ?
O19 C362 1.39(8) . ?
O20 O20 1.45(6) 2_655 ?
O20 O20 1.45(6) 3_665 ?
O21 C181 1.30(5) . ?
O21 C183 1.36(5) . ?
O22 C182 1.35(5) . ?
O22 C185 1.43(5) . ?
O23 C184 1.53(3) . ?
O23 C313 1.32(7) . ?
O24 C72 1.60(5) . ?
O24 C81 1.33(5) . ?
O25 C308 1.51(3) . ?
O25 C309 1.52(3) . ?
O26 C70 1.52(5) . ?
O26 C312 1.35(5) . ?
O27 C176 1.53(3) . ?
O27 C323 1.10(6) . ?
O28 C329 1.78(7) . ?
O28 C360 1.50(3) . ?
O28 C361 1.58(3) . ?
O29 C300 1.47(5) . ?
O29 C301 1.55(2) . ?
O30 C302 1.54(2) . ?
O30 C303 1.34(5) . ?
O31 C366 1.54(3) 3_775 ?
O31 C366 1.54(3) 2_755 ?
O31 C366 1.54(3) . ?
O31 C367 1.51(3) . ?
N2 B1 1.58(3) . ?
N2 C10 1.39(3) . ?
N2 C13 1.37(3) . ?
N4 C8 1.12(4) . ?
N4 C11 1.40(2) . ?
N4 C208 1.62(5) . ?
N5 C12 1.41(3) . ?
N5 C13 1.45(3) . ?
N5 B3 1.50(3) . ?
N6 B1 1.56(3) . ?
N6 C26 1.36(3) . ?
N6 C27 1.49(3) . ?
N7 C26 1.34(3) . ?
N7 C42 1.32(3) . ?
N7 B2 1.55(3) . ?
N8 C27 1.32(2) . ?
N8 C34 1.36(2) . ?
N8 B2 1.54(3) . ?
N9 C28 1.40(3) . ?
N9 C32 1.37(2) . ?
N9 B3 1.49(3) . ?
N10 C29 1.36(2) . ?
N10 C55 1.37(3) . ?
N10 B3 1.53(3) . ?
N11 C28 1.45(3) . ?
N11 C29 1.47(3) . ?
N11 B2 1.49(3) . ?
N15 C55 1.42(2) . ?
N15 C54 1.18(3) . ?
N15 C201 1.59(7) . ?
N17 C88 1.37(3) . ?
N17 C89 1.37(3) . ?
N17 B4 1.52(3) . ?
N18 C88 1.40(3) . ?
N18 C90 1.36(3) . ?
N19 C90 1.42(3) . ?
N19 C94 1.39(3) . ?
N19 B4 1.48(3) . ?
N20 C91 1.44(3) . ?
N20 C95 1.38(3) . ?
N20 B4 1.54(3) . ?
N21 C89 1.20(3) . ?
N21 C91 1.40(3) . ?
N22 C94 1.43(3) . ?
N22 C95 1.35(3) . ?
N22 B7 1.54(3) . ?
N23 C106 1.42(3) . ?
N23 C107 1.38(3) . ?
N23 B4 1.54(3) . ?
N24 C106 1.37(3) . ?
N24 C122 1.44(3) . ?
N24 B5 1.50(3) . ?
N25 C107 1.35(2) . ?
N25 C124 1.38(2) . ?
N25 B5 1.53(3) . ?
N26 C108 1.39(2) . ?
N26 C110 1.42(3) . ?
N26 B7 1.49(3) . ?
N27 C108 1.46(3) . ?
N27 C109 1.41(3) . ?
N27 B5 1.49(3) . ?
N28 C113 1.32(3) . ?
N28 C149 1.38(3) . ?
N28 B7 1.58(3) . ?
N29 C110 1.41(3) . ?
N29 C113 1.37(3) . ?
N31 C123 1.33(3) . ?
N31 C125 1.33(3) . ?
N31 B5 1.54(3) . ?
N32 C123 1.36(3) . ?
N32 C124 1.37(2) . ?
N33 C122 1.37(3) . ?
N33 C125 1.31(3) . ?
N34 C144 1.45(3) . ?
N34 C149 1.19(3) . ?
N41 C109 1.40(3) . ?
N41 C144 1.39(3) . ?
N41 B7 1.48(3) . ?
N3 C7 1.41(4) . ?
N3 C10 1.37(3) . ?
N3 C197 0.91(5) . ?
N13 C7 1.47(5) . ?
N13 C8 1.41(5) . ?
N13 B1 1.51(4) . ?
C1 C2 1.39(4) . ?
C1 C6 1.39(5) . ?
C1 C8 1.52(5) . ?
C2 C3 1.36(5) . ?
C2 C7 1.51(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.57(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.25(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.42(5) . ?
C6 H6 0.9500 . ?
B1 N39 1.54(6) . ?
B1 N1 1.48(3) . ?
C10 C15 1.37(3) . ?
C11 C16 1.39(3) . ?
C11 N1 1.40(2) . ?
C12 C17 1.44(3) . ?
C12 N1 1.37(2) . ?
C13 C14 1.43(3) . ?
C14 C15 1.43(3) . ?
C14 C18 1.40(3) . ?
C15 C21 1.44(3) . ?
C16 C17 1.40(3) . ?
C16 C22 1.46(3) . ?
C17 C25 1.42(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.40(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.54(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.39(4) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.39(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.32(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.38(3) . ?
C25 H25 0.9500 . ?
C26 C40 1.42(5) . ?
C26 C218 1.41(6) . ?
C27 C33 1.37(3) . ?
C28 C30 1.35(3) . ?
C29 C59 1.39(3) . ?
C30 C31 1.48(3) . ?
C30 C65 1.41(3) . ?
C31 C32 1.36(3) . ?
C31 C68 1.47(3) . ?
C32 N16 1.43(4) . ?
C32 N35 1.28(9) . ?
C33 C35 1.43(3) . ?
C33 C39 1.39(4) . ?
C33 C225 1.45(6) . ?
C34 C35 1.38(3) . ?
C34 N14 1.45(5) . ?
C34 N37 1.32(9) . ?
C35 C36 1.32(4) . ?
C35 C228 1.63(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.39(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.33(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.37(4) . ?
C39 H39 0.9500 . ?
C42 C41 1.43(5) . ?
C42 N40 1.42(3) . ?
C42 C213 1.38(6) . ?
C40 C41 1.42(6) . ?
C40 C43 1.40(6) . ?
C41 C46 1.46(6) . ?
C43 H43 0.9500 . ?
C43 C44 1.50(6) . ?
C44 H44 0.9500 . ?
C44 C45 1.20(5) . ?
C45 H45 0.9500 . ?
C45 C46 1.39(5) . ?
C46 H46 0.9500 . ?
C51 C52 1.61(6) . ?
C55 C60 1.44(3) . ?
C59 C60 1.46(3) . ?
C59 C64 1.43(3) . ?
C60 C61 1.35(3) . ?
C61 H61 0.9500 . ?
C61 C62 1.40(3) . ?
C62 H62 0.9500 . ?
C62 C63 1.37(3) . ?
C63 H63 0.9500 . ?
C63 C64 1.34(3) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C65 C66 1.38(3) . ?
C66 H66 0.9500 . ?
C66 C67 1.44(3) . ?
C67 H67 0.9500 . ?
C67 C68 1.39(3) . ?
C68 H68 0.9500 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 C312 1.14(5) . ?
N40 C235 1.19(3) . ?
C235 N12 1.35(4) . ?
C235 C48 1.50(4) . ?
C235 N38 1.57(7) . ?
C235 C73 1.71(4) . ?
N12 C50 1.43(5) . ?
N12 B2 1.51(5) . ?
N14 C50 1.39(7) . ?
C236 H236 0.9500 . ?
C236 C48 1.40(4) . ?
C236 C74 1.43(4) . ?
C48 C49 1.39(4) . ?
C49 C50 1.49(7) . ?
C49 C76 1.37(4) . ?
C74 H74 0.9500 . ?
C74 C75 1.36(4) . ?
C75 H75 0.9500 . ?
C75 C76 1.36(4) . ?
C76 H76 0.9500 . ?
N16 C56 1.24(5) . ?
N30 C54 1.45(4) . ?
N30 C56 1.40(5) . ?
N30 B3 1.58(4) . ?
C54 C58 1.46(4) . ?
C56 C57 1.45(5) . ?
C57 C58 1.40(4) . ?
C57 C77 1.29(4) . ?
C58 C80 1.45(4) . ?
C77 H77 0.9500 . ?
C77 C78 1.47(4) . ?
C78 H78 0.9500 . ?
C78 C79 1.39(4) . ?
C79 H79 0.9500 . ?
C79 C80 1.35(4) . ?
C80 H80 0.9500 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 C83 1.43(3) . ?
C82 C87 1.37(3) . ?
C82 C89 1.51(3) . ?
C83 H83 0.9500 . ?
C83 C84 1.43(4) . ?
C84 H84 0.9500 . ?
C84 C85 1.32(4) . ?
C85 H85 0.9500 . ?
C85 C86 1.37(3) . ?
C86 H86 0.9500 . ?
C86 C87 1.41(3) . ?
C87 C88 1.41(3) . ?
C90 C92 1.39(3) . ?
C91 C97 1.37(3) . ?
C92 C93 1.49(3) . ?
C92 C98 1.38(3) . ?
C93 C94 1.45(3) . ?
C93 C101 1.48(3) . ?
C95 C96 1.43(3) . ?
C96 C97 1.50(3) . ?
C96 C102 1.40(3) . ?
C97 C105 1.48(4) . ?
C98 H98 0.9500 . ?
C98 C99 1.38(3) . ?
C99 H99 0.9500 . ?
C99 C100 1.37(4) . ?
C100 H100 0.9500 . ?
C100 C101 1.28(3) . ?
C101 H101 0.9500 . ?
C102 H102 0.9500 . ?
C102 C103 1.36(3) . ?
C103 H103 0.9500 . ?
C103 C104 1.52(4) . ?
C104 H104 0.9500 . ?
C104 C105 1.30(4) . ?
C105 H105 0.9500 . ?
C106 C116 1.39(5) . ?
C106 C229 1.34(8) . ?
C107 C128 1.46(3) . ?
C108 C112 1.32(3) . ?
C109 C138 1.38(3) . ?
C110 C111 1.42(3) . ?
C111 C112 1.49(3) . ?
C111 C145 1.37(3) . ?
C112 C148 1.45(2) . ?
C113 C150 1.48(3) . ?
C115 H11A 0.9900 . ?
C115 H11B 0.9900 . ?
C116 C117 1.36(5) . ?
C116 C121 1.43(6) . ?
C117 H117 0.9500 . ?
C117 C118 1.41(5) . ?
C118 H118 0.9500 . ?
C118 C119 1.43(5) . ?
C119 H119 0.9500 . ?
C119 C120 1.37(4) . ?
C120 H120 0.9500 . ?
C120 C121 1.52(5) . ?
C121 C122 1.33(5) . ?
C122 C234 1.26(8) . ?
C123 C127 1.49(3) . ?
C124 C129 1.44(3) . ?
C125 C126 1.47(3) . ?
C126 C127 1.42(3) . ?
C126 C152 1.39(3) . ?
C127 C155 1.46(3) . ?
C128 C129 1.40(3) . ?
C128 C133 1.38(3) . ?
C129 C130 1.42(3) . ?
C130 H130 0.9500 . ?
C130 C131 1.26(3) . ?
C131 H131 0.9500 . ?
C131 C132 1.46(3) . ?
C132 H132 0.9500 . ?
C132 C133 1.37(3) . ?
C133 H133 0.9500 . ?
C138 C139 1.41(3) . ?
C138 C143 1.50(3) . ?
C139 H139 0.9500 . ?
C139 C140 1.32(3) . ?
C140 H140 0.9500 . ?
C140 C141 1.48(3) . ?
C141 H141 0.9500 . ?
C141 C142 1.39(3) . ?
C142 H142 0.9500 . ?
C142 C143 1.36(3) . ?
C143 C144 1.39(3) . ?
C145 H145 0.9500 . ?
C145 C146 1.33(3) . ?
C146 H146 0.9500 . ?
C146 C147 1.35(3) . ?
C147 H147 0.9500 . ?
C147 C148 1.34(3) . ?
C148 H148 0.9500 . ?
C149 C151 1.54(4) . ?
C150 C151 1.52(4) . ?
C150 C156 1.37(4) . ?
C151 C159 1.32(3) . ?
C152 H152 0.9500 . ?
C152 C153 1.42(3) . ?
C153 H153 0.9500 . ?
C153 C154 1.33(3) . ?
C154 H154 0.9500 . ?
C154 C155 1.32(3) . ?
C155 H155 0.9500 . ?
C156 H156 0.9500 . ?
C156 C157 1.37(3) . ?
C157 H157 0.9500 . ?
C157 C158 1.28(4) . ?
C158 H158 0.9500 . ?
C158 C159 1.46(4) . ?
C159 H159 0.9500 . ?
C161 H16A 0.9900 . ?
C161 H16B 0.9900 . ?
C161 C162 1.76(7) . ?
C164 C166 1.55(3) . ?
C167 H16C 0.9900 . ?
C167 H16D 0.9900 . ?
C168 H16E 0.9900 . ?
C168 H16F 0.9900 . ?
C168 C169 1.64(6) . ?
C169 H16G 0.9900 . ?
C169 H16H 0.9900 . ?
C173 C175 1.53(3) . ?
C176 C323 1.83(8) . ?
C180 C323 1.81(10) . ?
C180 C324 1.03(8) . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C182 H18D 0.9900 . ?
C182 H18E 0.9900 . ?
C182 C183 1.50(3) . ?
C183 H18F 0.9900 . ?
C183 H18G 0.9900 . ?
C184 C184 1.73(11) 2_755 ?
C184 C184 1.73(11) 3_775 ?
C184 C366 1.52(3) . ?
C185 H18H 0.9800 . ?
C185 H18I 0.9800 . ?
C185 H18J 0.9800 . ?
C300 H30A 0.9800 . ?
C300 H30B 0.9800 . ?
C300 H30C 0.9800 . ?
C301 H30D 0.9900 . ?
C301 H30E 0.9900 . ?
C301 C303 1.58(3) . ?
C302 H30F 0.9800 . ?
C302 H30G 0.9800 . ?
C302 H30H 0.9800 . ?
C303 H30I 0.9900 . ?
C303 H30J 0.9900 . ?
C305 H30K 0.9800 . ?
C305 H30L 0.9800 . ?
C305 H30M 0.9800 . ?
C307 C308 1.52(3) . ?
C307 C319 1.53(3) . ?
C312 H31A 0.9900 . ?
C312 H31B 0.9900 . ?
C320 C321 1.52(3) . ?
C320 C326 1.35(9) . ?
C322 H32G 0.9900 . ?
C322 H32H 0.9900 . ?
C322 C325 1.54(3) . ?
C323 C324 1.47(9) . ?
C326 C361 2.00(3) . ?
C327 H32A 0.9800 . ?
C327 H32B 0.9800 . ?
C327 H32C 0.9800 . ?
C327 H32D 0.9800 . ?
C327 H32E 0.9800 . ?
C327 H32F 0.9800 . ?
C329 C360 1.52(3) . ?
C329 C362 1.77(10) . ?
C360 C362 1.57(9) . ?
C366 C366 1.56(11) 2_755 ?
C366 C366 1.56(11) 3_775 ?
C229 C230 1.57(10) . ?
C229 C234 1.47(12) . ?
C230 H230 0.9500 . ?
C230 C231 1.36(9) . ?
C231 H231 0.9500 . ?
C231 C232 1.28(8) . ?
C232 H232 0.9500 . ?
C232 C233 1.29(8) . ?
C233 H233 0.9500 . ?
C233 C234 1.52(10) . ?
C225 H225 0.9500 . ?
C225 C226 1.29(7) . ?
C226 H226 0.9500 . ?
C226 C227 1.37(7) . ?
C227 H227 0.9500 . ?
C227 C228 1.23(7) . ?
C228 H228 0.9500 . ?
N37 C219 1.36(14) . ?
N38 C219 1.38(11) . ?
N38 B2 1.56(9) . ?
C219 C221 1.35(11) . ?
C221 C222 1.3900 . ?
C221 C73 1.3900 . ?
C222 H222 0.9500 . ?
C222 C223 1.3900 . ?
C223 H223 0.9500 . ?
C223 C224 1.3900 . ?
C224 H224 0.9500 . ?
C224 C47 1.3900 . ?
C47 H47 0.9500 . ?
C47 C73 1.3900 . ?
C213 C214 1.48(7) . ?
C213 C218 1.43(8) . ?
C214 H214 0.9500 . ?
C214 C215 1.32(6) . ?
C215 H215 0.9500 . ?
C215 C216 1.51(7) . ?
C216 H216 0.9500 . ?
C216 C217 1.35(7) . ?
C217 H217 0.9500 . ?
C217 C218 1.40(7) . ?
N39 C197 1.65(6) . ?
N39 C208 1.37(7) . ?
C197 C206 1.61(7) . ?
C206 C207 1.22(7) . ?
C206 C209 1.40(7) . ?
C207 C208 1.47(7) . ?
C207 C210 1.53(6) . ?
C209 H209 0.9500 . ?
C209 C212 1.47(6) . ?
C210 H210 0.9500 . ?
C210 C211 1.28(7) . ?
C211 H211 0.9500 . ?
C211 C212 1.34(6) . ?
C212 H212 0.9500 . ?
N35 C198 1.28(11) . ?
N36 C198 1.30(11) . ?
N36 C201 1.50(9) . ?
N36 B3 1.44(7) . ?
C198 C199 1.38(12) . ?
C199 C200 1.47(9) . ?
C199 C202 1.35(10) . ?
C200 C201 1.39(10) . ?
C200 C205 1.35(10) . ?
C202 H202 0.9500 . ?
C202 C203 1.38(10) . ?
C203 H203 0.9500 . ?
C203 C204 1.31(10) . ?
C204 H204 0.9500 . ?
C204 C205 1.54(10) . ?
C205 H205 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
K1 O2 C51 C52 29(4) . . . . ?
K1 C356 O18 C52 119(3) . . . . ?
K1 O8 C52 O18 -35(2) . . . . ?
K1 O8 C52 C51 59(3) . . . . ?
K1 O18 C52 O8 36(2) . . . . ?
K1 O18 C52 C51 -73(2) . . . . ?
K1 N2 B1 N6 0(2) . . . . ?
K1 N2 B1 N13 130(2) . . . . ?
K1 N2 B1 N39 124(2) . . . . ?
K1 N2 B1 N1 -124.8(13) . . . . ?
K1 N2 C10 N3 -128(2) . . . . ?
K1 N2 C10 C15 72.3(17) . . . . ?
K1 N2 C13 N5 111.3(17) . . . . ?
K1 N2 C13 C14 -76.2(17) . . . . ?
K1 N7 C26 N6 110(2) . . . . ?
K1 N7 C26 C40 -66(2) . . . . ?
K1 N7 C26 C218 -93(3) . . . . ?
K1 N7 C42 C41 63(2) . . . . ?
K1 N7 C42 N40 -132(2) . . . . ?
K1 N7 C42 C213 90(3) . . . . ?
K1 N7 B2 N8 -122.6(13) . . . . ?
K1 N7 B2 N11 2(2) . . . . ?
K1 N7 B2 N12 127.1(18) . . . . ?
K1 N7 B2 N38 134(3) . . . . ?
K1 N9 C28 N11 114.7(16) . . . . ?
K1 N9 C28 C30 -73.5(16) . . . . ?
K1 N9 C32 C31 61.5(16) . . . . ?
K1 N9 C32 N16 -136(2) . . . . ?
K1 N9 C32 N35 -125(5) . . . . ?
K1 N9 B3 N5 2(2) . . . . ?
K1 N9 B3 N10 -121.5(13) . . . . ?
K1 N9 B3 N30 131.0(15) . . . . ?
K1 N9 B3 N36 121(3) . . . . ?
K1 C10 C15 C14 67.8(19) . . . . ?
K1 C10 C15 C21 -116(3) . . . . ?
K1 C13 C14 C15 -74.7(17) . . . . ?
K1 C13 C14 C18 119(3) . . . . ?
K1 C14 C15 C10 -68.9(19) . . . . ?
K1 C14 C15 C21 114(2) . . . . ?
K1 C14 C18 C19 -101(3) . . . . ?
K1 C15 C21 C20 93(3) . . . . ?
K1 C26 C40 C41 -79(3) . . . . ?
K1 C26 C40 C43 112(5) . . . . ?
K1 C26 C218 C213 -73(4) . . . . ?
K1 C26 C218 C217 111(6) . . . . ?
K1 C28 C30 C31 -78.0(14) . . . . ?
K1 C28 C30 C65 103(3) . . . . ?
K1 C30 C31 C32 -78.7(16) . . . . ?
K1 C30 C31 C68 109.4(18) . . . . ?
K1 C30 C65 C66 -91(2) . . . . ?
K1 C31 C32 N9 -61.6(15) . . . . ?
K1 C31 C32 N16 138(3) . . . . ?
K1 C31 C32 N35 124(4) . . . . ?
K1 C31 C68 C67 74(2) . . . . ?
K1 C32 N16 C56 -100(4) . . . . ?
K1 C32 N35 C198 -114(6) . . . . ?
K1 C42 C41 C40 69(3) . . . . ?
K1 C42 C41 C46 -118(5) . . . . ?
K1 C42 N40 C235 -102(2) . . . . ?
K1 C42 C213 C214 -112(6) . . . . ?
K1 C42 C213 C218 61(4) . . . . ?
K1 C40 C41 C42 -78(3) . . . . ?
K1 C40 C41 C46 109(4) . . . . ?
K1 C40 C43 C44 -89(4) . . . . ?
K1 C41 C46 C45 82(4) . . . . ?
K1 C51 C52 O8 -42(2) . . . . ?
K1 C51 C52 O18 45.7(18) . . . . ?
K2 O24 C72 C312 46(4) . . . . ?
K2 O26 C312 C72 53(5) . . . . ?
K2 N8 C27 N6 -115.1(15) . . . . ?
K2 N8 C27 C33 73.1(15) . . . . ?
K2 N8 C34 C35 -68.4(15) . . . . ?
K2 N8 C34 N14 125(3) . . . . ?
K2 N8 C34 N37 135(5) . . . . ?
K2 N8 B2 N7 125.5(13) . . . . ?
K2 N8 B2 N11 1(2) . . . . ?
K2 N8 B2 N12 -130(2) . . . . ?
K2 N8 B2 N38 -124(3) . . . . ?
K2 N10 C29 N11 -110.5(15) . . . . ?
K2 N10 C29 C59 79.4(14) . . . . ?
K2 N10 C55 N15 122.2(19) . . . . ?
K2 N10 C55 C60 -73.5(15) . . . . ?
K2 N10 B3 N5 4(2) . . . . ?
K2 N10 B3 N9 127.4(14) . . . . ?
K2 N10 B3 N30 -122.2(15) . . . . ?
K2 N10 B3 N36 -134(3) . . . . ?
K2 C11 C16 C17 -68.0(14) . . . . ?
K2 C11 C16 C22 119(2) . . . . ?
K2 C11 N1 B1 -122.8(17) . . . . ?
K2 C11 N1 C12 70.7(12) . . . . ?
K2 C12 C17 C16 77.6(14) . . . . ?
K2 C12 C17 C25 -102(3) . . . . ?
K2 C12 N1 B1 115.7(17) . . . . ?
K2 C12 N1 C11 -78.0(13) . . . . ?
K2 C16 C17 C12 -72.0(13) . . . . ?
K2 C16 C17 C25 107.7(18) . . . . ?
K2 C16 C22 C23 -82(2) . . . . ?
K2 C17 C25 C24 93(2) . . . . ?
K2 C27 C33 C35 76.9(14) . . . . ?
K2 C27 C33 C39 -118(3) . . . . ?
K2 C27 C33 C225 -80(5) . . . . ?
K2 C29 C59 C60 69.9(15) . . . . ?
K2 C29 C59 C64 -117(2) . . . . ?
K2 C33 C35 C34 73.3(14) . . . . ?
K2 C33 C35 C36 -116(2) . . . . ?
K2 C33 C35 C228 -98(3) . . . . ?
K2 C33 C39 C38 93(3) . . . . ?
K2 C33 C225 C226 99(6) . . . . ?
K2 C34 C35 C33 -68.5(14) . . . . ?
K2 C34 C35 C36 125(4) . . . . ?
K2 C34 C35 C228 102(3) . . . . ?
K2 C34 N14 C50 114(4) . . . . ?
K2 C34 N37 C219 102(9) . . . . ?
K2 C35 C36 C37 -84(4) . . . . ?
K2 C35 C228 C227 -82(5) . . . . ?
K2 C55 C60 C59 -70.9(14) . . . . ?
K2 C55 C60 C61 118(3) . . . . ?
K2 C59 C60 C55 68.7(14) . . . . ?
K2 C59 C60 C61 -119(2) . . . . ?
K2 C59 C64 C63 96(2) . . . . ?
K2 C60 C61 C62 -100(2) . . . . ?
K2 C72 C312 O26 -37(4) . . . . ?
K3 O29 C301 C303 22(3) . . . . ?
K3 O30 C303 C301 94(2) . . . . ?
K3 N19 C90 N18 130.7(18) . . . . ?
K3 N19 C90 C92 -64.9(15) . . . . ?
K3 N19 C94 N22 -112.3(17) . . . . ?
K3 N19 C94 C93 75.1(14) . . . . ?
K3 N19 B4 N17 -132.5(13) . . . . ?
K3 N19 B4 N20 121.4(14) . . . . ?
K3 N19 B4 N23 -1(2) . . . . ?
K3 N25 C107 N23 -115.6(17) . . . . ?
K3 N25 C107 C128 73.6(13) . . . . ?
K3 N25 C124 N32 132.3(19) . . . . ?
K3 N25 C124 C129 -67.6(14) . . . . ?
K3 N25 B5 N24 124.3(14) . . . . ?
K3 N25 B5 N27 1(2) . . . . ?
K3 N25 B5 N31 -129.5(12) . . . . ?
K3 N26 C108 N27 -110.3(15) . . . . ?
K3 N26 C108 C112 78.8(15) . . . . ?
K3 N26 C110 N29 128(2) . . . . ?
K3 N26 C110 C111 -76.3(15) . . . . ?
K3 N26 B7 N22 2(3) . . . . ?
K3 N26 B7 N28 -122.2(14) . . . . ?
K3 N26 B7 N41 125.5(15) . . . . ?
K3 C90 C92 C93 -67.2(14) . . . . ?
K3 C90 C92 C98 122(3) . . . . ?
K3 C92 C93 C94 -71.5(14) . . . . ?
K3 C92 C93 C101 108.2(19) . . . . ?
K3 C92 C98 C99 -77(3) . . . . ?
K3 C93 C94 N19 -76.4(13) . . . . ?
K3 C93 C94 N22 113(3) . . . . ?
K3 C93 C101 C100 94(2) . . . . ?
K3 C107 C128 C129 75.8(15) . . . . ?
K3 C107 C128 C133 -108(3) . . . . ?
K3 C108 C112 C111 67.8(15) . . . . ?
K3 C108 C112 C148 -114(2) . . . . ?
K3 C110 C111 C112 -70.8(13) . . . . ?
K3 C110 C111 C145 121(2) . . . . ?
K3 C111 C112 C108 -64.2(15) . . . . ?
K3 C111 C112 C148 117.4(15) . . . . ?
K3 C111 C145 C146 -93(2) . . . . ?
K3 C112 C148 C147 92.2(19) . . . . ?
K3 C124 C129 C128 -68.9(15) . . . . ?
K3 C124 C129 C130 115(2) . . . . ?
K3 C128 C129 C124 73.4(15) . . . . ?
K3 C128 C129 C130 -110(2) . . . . ?
K3 C128 C133 C132 92(2) . . . . ?
K3 C129 C130 C131 -85(3) . . . . ?
K3 C301 C303 O30 -70(3) . . . . ?
K4 O4 C330 C115 -75(3) . . . . ?
K4 C330 C115 O6 34(4) . . . . ?
K4 O6 C115 C330 -49(5) . . . . ?
K4 N20 C91 N21 -133(2) . . . . ?
K4 N20 C91 C97 73.2(18) . . . . ?
K4 N20 C95 N22 112(2) . . . . ?
K4 N20 C95 C96 -76.3(17) . . . . ?
K4 N20 B4 N17 126.2(14) . . . . ?
K4 N20 B4 N19 -125.9(14) . . . . ?
K4 N20 B4 N23 -3(2) . . . . ?
K4 N24 C106 N23 108.3(17) . . . . ?
K4 N24 C106 C116 -86(2) . . . . ?
K4 N24 C106 C229 -64(4) . . . . ?
K4 N24 C122 N33 -126.5(19) . . . . ?
K4 N24 C122 C121 82(2) . . . . ?
K4 N24 C122 C234 60(4) . . . . ?
K4 N24 B5 N25 -125.4(13) . . . . ?
K4 N24 B5 N27 -1(2) . . . . ?
K4 N24 B5 N31 127.8(12) . . . . ?
K4 N41 C109 N27 115.6(18) . . . . ?
K4 N41 C109 C138 -73.5(17) . . . . ?
K4 N41 C144 N34 -134.8(18) . . . . ?
K4 N41 C144 C143 63.1(17) . . . . ?
K4 N41 B7 N22 6(2) . . . . ?
K4 N41 B7 N26 -119.9(16) . . . . ?
K4 N41 B7 N28 129.2(14) . . . . ?
K4 C91 C97 C96 70.1(19) . . . . ?
K4 C91 C97 C105 -119(3) . . . . ?
K4 C95 C96 C97 -71.3(17) . . . . ?
K4 C95 C96 C102 117(3) . . . . ?
K4 C96 C97 C91 -70(2) . . . . ?
K4 C96 C97 C105 117(2) . . . . ?
K4 C96 C102 C103 -93(2) . . . . ?
K4 C97 C105 C104 89(3) . . . . ?
K4 C106 C116 C117 116(4) . . . . ?
K4 C106 C116 C121 -73(3) . . . . ?
K4 C106 C229 C230 102(9) . . . . ?
K4 C106 C229 C234 -78(5) . . . . ?
K4 C109 C138 C139 106(3) . . . . ?
K4 C109 C138 C143 -79.7(16) . . . . ?
K4 C122 C234 C229 71(5) . . . . ?
K4 C122 C234 C233 -107(10) . . . . ?
K4 C138 C139 C140 -92(2) . . . . ?
K4 C138 C143 C142 111(2) . . . . ?
K4 C138 C143 C144 -75.6(18) . . . . ?
K4 C143 C144 N34 140(2) . . . . ?
K4 C143 C144 N41 -61.1(16) . . . . ?
K4 C229 C230 C231 -91(6) . . . . ?
K4 C229 C234 C122 -82(5) . . . . ?
K4 C229 C234 C233 96(6) . . . . ?
K5 O1 C357 C166 -42(4) . . . . ?
K5 O1 C166 C357 148(3) . . . . ?
K5 O1 C166 C164 49(17) . . . . ?
K5 O3 C333 C333 -69(7) . . . 2_655 ?
K5 O3 C333 C333 69(7) . . . 3_665 ?
K5 O3 C333 C162 -123(3) . . . 3_665 ?
K5 O3 C333 C162 113(3) . . . 2_655 ?
K5 O3 C162 C333 -72(4) . . . 3_665 ?
K5 O3 C162 C333 60(5) . . . 2_655 ?
K5 O3 C162 C161 -2(4) . . . . ?
K5 O10 C164 C166 40(3) . . . . ?
K5 O10 C169 C168 31(4) . . . . ?
K5 O11 C161 C162 76(3) . . . . ?
K5 O11 C167 O12 -21(3) . . . . ?
K5 O12 C167 O11 17(2) . . . . ?
K5 O12 C168 C169 63(3) . . . . ?
K6 C332 C359 C331 154(13) . . . . ?
K6 C332 C359 O20 20(12) . . . . ?
K6 C332 C359 O20 -50(12) . . . 3_665 ?
K6 C332 O16 C331 137(3) . . . . ?
K6 C332 O16 C314 91(10) . . . . ?
K6 C332 O20 C332 4(3) . . . 2_655 ?
K6 C332 O20 C359 -36(15) . . . 2_655 ?
K6 C332 O20 C359 -173(5) . . . . ?
K6 C332 O20 O20 -102(2) . . . 3_665 ?
K6 C332 O20 O20 -66.0(18) . . . 2_655 ?
K6 O13 C358 C173 166(4) . . . . ?
K6 O13 C358 C314 93(5) . . . . ?
K6 O13 O14 C175 153(3) . . . . ?
K6 O13 O14 C318 48(3) . . . . ?
K6 O13 C173 C358 -22(5) . . . . ?
K6 O13 C173 C175 -136(5) . . . . ?
K6 O13 C175 O14 -39(4) . . . . ?
K6 O13 C175 C173 141(4) . . . . ?
K6 C358 C173 O13 15(4) . . . . ?
K6 C358 C173 C175 67(5) . . . . ?
K6 C358 C314 O16 23(3) . . . . ?
K6 O14 C175 O13 27(3) . . . . ?
K6 O14 C175 C173 27(5) . . . . ?
K6 O16 C314 C358 -24(3) . . . . ?
K7 O19 C329 O28 40(6) . . . . ?
K7 O19 C329 C360 93(5) . . . . ?
K7 O19 C329 C362 133(7) . . . . ?
K7 O19 C360 O28 -34(3) . . . . ?
K7 O19 C360 C329 -115(6) . . . . ?
K7 O19 C360 C362 113(4) . . . . ?
K7 O19 C362 C329 -134(7) . . . . ?
K7 O19 C362 C360 -93(4) . . . . ?
K7 O28 C329 O19 -34(6) . . . . ?
K7 O28 C329 C360 -126(4) . . . . ?
K7 O28 C329 C362 -84(3) . . . . ?
K7 O28 C360 O19 38(4) . . . . ?
K7 O28 C360 C329 66(4) . . . . ?
K7 O28 C360 C362 10(7) . . . . ?
K7 O28 C361 C326 24(5) . . . . ?
K7 C329 C360 O19 48(4) . . . . ?
K7 C329 C360 O28 -43(3) . . . . ?
K7 C329 C360 C362 84(4) . . . . ?
K7 C329 C362 O19 33(5) . . . . ?
K7 C329 C362 C360 -97(3) . . . . ?
K10 O7 C319 C307 61(3) . . . . ?
K10 C307 C308 O25 61(14) . . . . ?
K10 C307 C319 O7 -61(3) . . . . ?
K9 O21 C183 C182 -47(4) . . . . ?
K9 O22 C182 C183 -50(4) . . . . ?
K9 O23 C184 C184 -26(8) . . . 2_755 ?
K9 O23 C184 C184 37(8) . . . 3_775 ?
K9 O23 C184 C366 -178(20) . . . . ?
K8 O5 C180 C323 -91(4) . . . . ?
K8 O5 C180 C324 -144(6) . . . . ?
K8 O5 C322 C325 -23(6) . . . . ?
K8 O5 C324 C180 40(7) . . . . ?
K8 O5 C324 C323 -38(5) . . . . ?
K8 O17 C325 C322 4(13) . . . . ?
K8 O27 C176 C323 -120(4) . . . . ?
K8 O27 C323 C176 74(4) . . . . ?
K8 O27 C323 C180 -45(5) . . . . ?
K8 O27 C323 C324 -50(7) . . . . ?
K8 C176 C323 O27 -55(4) . . . . ?
K8 C176 C323 C180 11(4) . . . . ?
K8 C176 C323 C324 41(7) . . . . ?
K8 C180 C323 O27 39(4) . . . . ?
K8 C180 C323 C176 -11(5) . . . . ?
K8 C180 C323 C324 -150(7) . . . . ?
K8 C180 C324 O5 -59(8) . . . . ?
K8 C180 C324 C323 51(11) . . . . ?
K11 O9 C320 C321 -26(5) . . . . ?
K11 O9 C320 C326 73(4) . . . . ?
K11 O9 C326 C320 -100(3) . . . . ?
K11 O9 C326 C361 91(2) . . . . ?
K11 O15 C321 C320 138(10) . . . . ?
K11 C320 C321 O15 -138(10) . . . . ?
K11 C320 C326 O9 73(3) . . . . ?
K11 C320 C326 C361 87(6) . . . . ?
K12 O25 C308 C307 -77(14) . . . . ?
K12 C307 C308 O25 74(14) . . . . ?
K12 C307 C319 O7 -89(3) . . . . ?
K13 O21 C183 C182 -39(4) . . . . ?
K13 O22 C182 C183 -61(4) . . . . ?
K13 O23 C184 C184 37(7) . . . 3_775 ?
K13 O23 C184 C184 -27(8) . . . 2_755 ?
K13 O23 C184 C366 -178(21) . . . . ?
O1 C357 C166 K5 33(3) . . . . ?
O1 C357 C166 C164 161(5) . . . . ?
O2 C51 C52 K1 -21(3) . . . . ?
O2 C51 C52 O8 -63(4) . . . . ?
O2 C51 C52 O18 24(4) . . . . ?
O4 C330 C115 K4 74(3) . . . . ?
O4 C330 C115 O6 108(5) . . . . ?
O5 C180 C323 O27 109(6) . . . . ?
O5 C180 C323 C176 59(6) . . . . ?
O5 C180 C323 C324 -80(7) . . . . ?
O5 C180 C324 C323 110(5) . . . . ?
O5 C322 C325 K8 16(4) . . . . ?
O5 C322 C325 O17 13(15) . . . . ?
C330 O4 C304 K4 40(7) . . . . ?
C331 C332 C359 O20 155(4) . . . 3_665 ?
C331 C332 C359 O20 -134(4) . . . . ?
C331 C332 O16 K6 -137(3) . . . . ?
C331 C332 O16 C314 -46(10) . . . . ?
C331 C332 O20 K6 -133(4) . . . . ?
C331 C332 O20 C332 -130(4) . . . 2_655 ?
C331 C332 O20 C359 54(4) . . . . ?
C331 C332 O20 C359 -170(14) . . . 2_655 ?
C331 C332 O20 O20 161(3) . . . 2_655 ?
C331 C332 O20 O20 125(4) . . . 3_665 ?
C331 C359 O20 K6 -47(4) . . . . ?
C331 C359 O20 C332 -49(13) . . . 2_655 ?
C331 C359 O20 C332 -40(3) . . . . ?
C331 C359 O20 C359 159(5) . . . 2_655 ?
C331 C359 O20 O20 -107(4) . . . 3_665 ?
C331 C359 O20 O20 -127(4) . . . 2_655 ?
C331 O16 C314 C358 -149(4) . . . . ?
C332 C331 C359 O20 -23(4) . . . 3_665 ?
C332 C331 C359 O20 45(3) . . . . ?
C332 C331 O16 K6 43(3) . . . . ?
C332 C331 O16 C314 167(3) . . . . ?
C332 C359 O20 K6 -6(4) . . . . ?
C332 C359 O20 C332 -9(13) . . . 2_655 ?
C332 C359 O20 C359 -161(6) . . . 2_655 ?
C332 C359 O20 O20 -67(3) . . . 3_665 ?
C332 C359 O20 O20 -87(4) . . . 2_655 ?
C332 O16 C314 C358 -108(10) . . . . ?
C333 O3 C333 K5 69(7) 2_655 . . . ?
C333 O3 C333 K5 -69(7) 3_665 . . . ?
C333 O3 C333 C333 138(13) 2_655 . . 3_665 ?
C333 O3 C333 C333 -138(13) 3_665 . . 2_655 ?
C333 O3 C333 C162 167(7) 3_665 . . 3_665 ?
C333 O3 C333 C162 -54(8) 2_655 . . 3_665 ?
C333 O3 C333 C162 -178(8) 2_655 . . 2_655 ?
C333 O3 C333 C162 44(7) 3_665 . . 2_655 ?
C333 O3 C162 C333 131(8) 3_665 . . 2_655 ?
C333 O3 C162 C333 -58(23) . . . 2_655 ?
C333 O3 C162 C333 171(29) . . . 3_665 ?
C333 O3 C162 C333 -131(8) 2_655 . . 3_665 ?
C333 O3 C162 C161 -120(26) . . . . ?
C333 O3 C162 C161 -62(5) 2_655 . . . ?
C333 O3 C162 C161 70(6) 3_665 . . . ?
C334 C334 O17 K8 33(7) 3_675 . . . ?
C334 C334 O17 K8 -32(7) 2_765 . . . ?
C334 C334 O17 C325 81(7) 2_765 . . . ?
C334 C334 O17 C325 146(6) 3_675 . . . ?
C334 O17 C325 K8 -123(5) . . . . ?
C334 O17 C325 C322 -120(12) . . . . ?
C355 O8 C52 K1 -139(4) . . . . ?
C355 O8 C52 O18 -173(3) . . . . ?
C355 O8 C52 C51 -79(4) . . . . ?
C356 O18 C52 K1 -118(4) . . . . ?
C356 O18 C52 O8 -82(4) . . . . ?
C356 O18 C52 C51 168(3) . . . . ?
C357 O1 C357 C166 94(5) 3_665 . . . ?
C357 O1 C357 C166 -177(4) 2_655 . . . ?
C357 O1 C166 K5 -148(3) . . . . ?
C357 O1 C166 K5 -144(5) 2_655 . . . ?
C357 O1 C166 K5 127(3) 3_665 . . . ?
C357 O1 C166 C357 4(6) 2_655 . . . ?
C357 O1 C166 C357 -86(5) 3_665 . . . ?
C357 O1 C166 C164 176(16) 3_665 . . . ?
C357 O1 C166 C164 -99(17) . . . . ?
C357 O1 C166 C164 -95(19) 2_655 . . . ?
O9 C320 C321 K7 54(5) . . . . ?
O9 C320 C321 K11 32(6) . . . . ?
O9 C320 C321 O15 -106(8) . . . . ?
O9 C320 C326 K7 -87(4) . . . . ?
O9 C320 C326 K11 -73(3) . . . . ?
O9 C320 C326 C361 14(6) . . . . ?
O10 C164 C166 K5 -39(3) . . . . ?
O10 C164 C166 O1 -83(17) . . . . ?
O10 C164 C166 C357 -174(5) . . . . ?
O11 C161 C162 O3 -38(5) . . . . ?
O11 C161 C162 C333 -2(4) . . . 3_665 ?
O11 C161 C162 C333 -74(4) . . . 2_655 ?
O12 C168 C169 O10 -64(5) . . . . ?
O13 C358 C173 C175 52(3) . . . . ?
O13 C358 C314 O16 -52(6) . . . . ?
O13 O14 C175 C173 -1(3) . . . . ?
O13 O14 C318 K6 -47(3) . . . . ?
O13 C173 C175 O14 1(4) . . . . ?
C358 O13 O14 K6 -75(4) . . . . ?
C358 O13 O14 C175 78(4) . . . . ?
C358 O13 O14 C318 -26(5) . . . . ?
C358 O13 C173 C175 -114(4) . . . . ?
C358 O13 C175 O14 -127(4) . . . . ?
C358 O13 C175 C173 52(4) . . . . ?
C358 C173 C175 O13 -60(4) . . . . ?
C358 C173 C175 O14 -59(5) . . . . ?
C359 C331 C332 K6 -169(5) . . . . ?
C359 C331 C332 O16 -117(4) . . . . ?
C359 C331 C332 O20 30(5) . . . 3_665 ?
C359 C331 C332 O20 -48(3) . . . . ?
C359 C331 O16 K6 82(3) . . . . ?
C359 C331 O16 C332 39(2) . . . . ?
C359 C331 O16 C314 -153(3) . . . . ?
C359 C332 O16 K6 159(3) . . . . ?
C359 C332 O16 C331 -64(4) . . . . ?
C359 C332 O16 C314 -110(10) . . . . ?
C359 C332 O20 K6 173(5) . . . . ?
C359 C332 O20 C332 177(5) . . . 2_655 ?
C359 C332 O20 C359 137(15) . . . 2_655 ?
C359 C332 O20 O20 107(4) . . . 2_655 ?
C359 C332 O20 O20 71(4) . . . 3_665 ?
O14 O13 C358 K6 75(3) . . . . ?
O14 O13 C358 C173 -119(4) . . . . ?
O14 O13 C358 C314 168(4) . . . . ?
O14 O13 C173 C358 114(5) . . . . ?
O14 O13 C173 C175 -1(5) . . . . ?
O14 O13 C175 C173 179(4) . . . . ?
O16 C331 C332 K6 -53(4) . . . . ?
O16 C331 C332 C359 117(4) . . . . ?
O16 C331 C332 O20 68(4) . . . . ?
O16 C331 C332 O20 147(5) . . . 3_665 ?
O16 C331 C359 C332 -52(4) . . . . ?
O16 C331 C359 O20 -8(4) . . . . ?
O16 C331 C359 O20 -76(4) . . . 3_665 ?
O16 C332 C359 C331 53(2) . . . . ?
O16 C332 C359 O20 -152(4) . . . 3_665 ?
O16 C332 C359 O20 -82(3) . . . . ?
O16 C332 O20 K6 -80.0(18) . . . . ?
O16 C332 O20 C332 -76(3) . . . 2_655 ?
O16 C332 O20 C359 107(4) . . . . ?
O16 C332 O20 C359 -116(15) . . . 2_655 ?
O16 C332 O20 O20 178(2) . . . 3_665 ?
O16 C332 O20 O20 -146.1(19) . . . 2_655 ?
O19 C329 C360 O28 -91(6) . . . . ?
O19 C329 C360 C362 37(6) . . . . ?
O19 C329 C362 C360 -129(7) . . . . ?
O19 C360 C362 C329 21(3) . . . . ?
O20 C332 C359 C331 134(4) . . . . ?
O20 C332 C359 C331 -155(4) 3_665 . . . ?
O20 C332 C359 O20 70(4) 3_665 . . . ?
O20 C332 C359 O20 -70(4) . . . 3_665 ?
O20 C332 O16 K6 96.0(18) . . . . ?
O20 C332 O16 K6 99(6) 3_665 . . . ?
O20 C332 O16 C331 -127(3) . . . . ?
O20 C332 O16 C331 -124(6) 3_665 . . . ?
O20 C332 O16 C314 -173(10) . . . . ?
O20 C332 O16 C314 -170(9) 3_665 . . . ?
O20 C332 O20 K6 102(2) 3_665 . . . ?
O20 C332 O20 C332 106(3) 3_665 . . 2_655 ?
O20 C332 O20 C359 -71(4) 3_665 . . . ?
O20 C332 O20 C359 65(15) 3_665 . . 2_655 ?
O20 C332 O20 O20 35.7(13) 3_665 . . 2_655 ?
O20 C359 O20 K6 61(3) 3_665 . . . ?
O20 C359 O20 C332 67(3) 3_665 . . . ?
O20 C359 O20 C332 58(12) 3_665 . . 2_655 ?
O20 C359 O20 C359 -94(4) 3_665 . . 2_655 ?
O20 C359 O20 O20 -20(2) 3_665 . . 2_655 ?
O22 C182 C183 O21 68(5) . . . . ?
O23 C184 C366 O31 -169(15) . . . . ?
O23 C184 C366 C366 -143(20) . . . 3_775 ?
O23 C184 C366 C366 157(20) . . . 2_755 ?
O24 C72 C312 K2 -33(3) . . . . ?
O24 C72 C312 O26 -70(5) . . . . ?
O27 C176 C323 C180 66(5) . . . . ?
O27 C176 C323 C324 97(8) . . . . ?
O27 C323 C324 O5 59(7) . . . . ?
O27 C323 C324 C180 10(9) . . . . ?
O28 C329 C360 O19 91(6) . . . . ?
O28 C329 C360 C362 128(5) . . . . ?
O28 C329 C362 O19 90(5) . . . . ?
O28 C329 C362 C360 -40(3) . . . . ?
O28 C360 C362 O19 36(5) . . . . ?
O28 C360 C362 C329 57(4) . . . . ?
O29 C301 C303 K3 -18(3) . . . . ?
O29 C301 C303 O30 -89(4) . . . . ?
N2 B1 N39 C197 -35(5) . . . . ?
N2 B1 N39 C208 143(4) . . . . ?
N2 B1 N1 K2 122.1(13) . . . . ?
N2 B1 N1 C11 -133.0(17) . . . . ?
N2 B1 N1 C12 31(2) . . . . ?
N2 C10 C15 K1 -65.9(15) . . . . ?
N2 C10 C15 C14 2(3) . . . . ?
N2 C10 C15 C21 179(3) . . . . ?
N2 C13 C14 K1 72.3(15) . . . . ?
N2 C13 C14 C15 -2(3) . . . . ?
N2 C13 C14 C18 -169(2) . . . . ?
N4 C11 C16 K2 -134.1(19) . . . . ?
N4 C11 C16 C17 157.9(19) . . . . ?
N4 C11 C16 C22 -15(4) . . . . ?
N4 C11 N1 K2 130.3(15) . . . . ?
N4 C11 N1 B1 7(3) . . . . ?
N4 C11 N1 C12 -159.0(16) . . . . ?
N5 C12 C17 K2 112(2) . . . . ?
N5 C12 C17 C16 -171(2) . . . . ?
N5 C12 C17 C25 10(4) . . . . ?
N5 C12 N1 K2 -112.0(16) . . . . ?
N5 C12 N1 B1 4(3) . . . . ?
N5 C12 N1 C11 170.1(16) . . . . ?
N5 C13 C14 K1 -117(3) . . . . ?
N5 C13 C14 C15 168(2) . . . . ?
N5 C13 C14 C18 2(5) . . . . ?
N6 B1 N39 C197 80(5) . . . . ?
N6 B1 N39 C208 -102(5) . . . . ?
N6 B1 N1 K2 3(2) . . . . ?
N6 B1 N1 C11 107(2) . . . . ?
N6 B1 N1 C12 -88(2) . . . . ?
N6 C26 C40 K1 -105(3) . . . . ?
N6 C26 C40 C41 176(3) . . . . ?
N6 C26 C40 C43 7(7) . . . . ?
N6 C26 C218 C213 160(3) . . . . ?
N6 C26 C218 C217 -16(8) . . . . ?
N6 C27 C33 K2 117(2) . . . . ?
N6 C27 C33 C35 -166(2) . . . . ?
N6 C27 C33 C39 0(4) . . . . ?
N6 C27 C33 C225 37(6) . . . . ?
N7 C26 C40 K1 69.4(17) . . . . ?
N7 C26 C40 C41 -10(4) . . . . ?
N7 C26 C40 C43 -179(5) . . . . ?
N7 C26 C218 C213 4(5) . . . . ?
N7 C26 C218 C217 -171(6) . . . . ?
N7 C42 C41 K1 -62.5(18) . . . . ?
N7 C42 C41 C40 7(4) . . . . ?
N7 C42 C41 C46 180(4) . . . . ?
N7 C42 N40 C235 -6(3) . . . . ?
N7 C42 C213 C214 177(6) . . . . ?
N7 C42 C213 C218 -10(5) . . . . ?
N8 C27 C33 K2 -73.2(14) . . . . ?
N8 C27 C33 C35 4(2) . . . . ?
N8 C27 C33 C39 169(3) . . . . ?
N8 C27 C33 C225 -154(5) . . . . ?
N8 C34 C35 K2 65.0(14) . . . . ?
N8 C34 C35 C33 -4(2) . . . . ?
N8 C34 C35 C36 -170(3) . . . . ?
N8 C34 C35 C228 167(3) . . . . ?
N8 C34 N14 C50 20(5) . . . . ?
N8 C34 N37 C219 -2(10) . . . . ?
N9 C28 C30 K1 77.5(15) . . . . ?
N9 C28 C30 C31 0(2) . . . . ?
N9 C28 C30 C65 -180(2) . . . . ?
N9 C32 N16 C56 -6(4) . . . . ?
N9 C32 N35 C198 -16(10) . . . . ?
N10 C29 C59 K2 -70.6(13) . . . . ?
N10 C29 C59 C60 -1(2) . . . . ?
N10 C29 C59 C64 173(2) . . . . ?
N10 C55 C60 K2 64.7(13) . . . . ?
N10 C55 C60 C59 -6(2) . . . . ?
N10 C55 C60 C61 -178(3) . . . . ?
N11 C28 C30 K1 -113(2) . . . . ?
N11 C28 C30 C31 169(2) . . . . ?
N11 C28 C30 C65 -10(4) . . . . ?
N11 C29 C59 K2 121(2) . . . . ?
N11 C29 C59 C60 -169(2) . . . . ?
N11 C29 C59 C64 5(4) . . . . ?
N15 C55 C60 K2 -131(2) . . . . ?
N15 C55 C60 C59 158.3(19) . . . . ?
N15 C55 C60 C61 -13(4) . . . . ?
N15 C54 C58 C57 -149(4) . . . . ?
N15 C54 C58 C80 24(6) . . . . ?
N18 C90 C92 K3 -135(2) . . . . ?
N18 C90 C92 C93 158(2) . . . . ?
N18 C90 C92 C98 -12(4) . . . . ?
N19 C90 C92 K3 61.4(14) . . . . ?
N19 C90 C92 C93 -6(2) . . . . ?
N19 C90 C92 C98 -176(3) . . . . ?
N20 C91 C97 K4 -69.1(16) . . . . ?
N20 C91 C97 C96 1(3) . . . . ?
N20 C91 C97 C105 172(3) . . . . ?
N20 C95 C96 K4 73.1(16) . . . . ?
N20 C95 C96 C97 2(3) . . . . ?
N20 C95 C96 C102 -170(3) . . . . ?
N21 C91 C97 K4 143(3) . . . . ?
N21 C91 C97 C96 -147(3) . . . . ?
N21 C91 C97 C105 25(5) . . . . ?
N22 C95 C96 K4 -117(3) . . . . ?
N22 C95 C96 C97 172(3) . . . . ?
N22 C95 C96 C102 0(5) . . . . ?
N23 C106 C116 C117 -7(7) . . . . ?
N23 C106 C116 C121 164(3) . . . . ?
N23 C106 C229 K4 -103(5) . . . . ?
N23 C106 C229 C230 0(13) . . . . ?
N23 C106 C229 C234 179(4) . . . . ?
N23 C107 C128 K3 117(2) . . . . ?
N23 C107 C128 C129 -167(2) . . . . ?
N23 C107 C128 C133 9(4) . . . . ?
N24 C106 C116 C117 -170(4) . . . . ?
N24 C106 C116 C121 1(3) . . . . ?
N24 C106 C229 K4 67(2) . . . . ?
N24 C106 C229 C230 169(8) . . . . ?
N24 C106 C229 C234 -12(6) . . . . ?
N24 C122 C234 K4 -59(3) . . . . ?
N24 C122 C234 C229 12(7) . . . . ?
N24 C122 C234 C233 -166(8) . . . . ?
N25 C107 C128 K3 -74.8(13) . . . . ?
N25 C107 C128 C129 1(2) . . . . ?
N25 C107 C128 C133 177(2) . . . . ?
N25 C124 C129 K3 65.5(13) . . . . ?
N25 C124 C129 C128 -3(2) . . . . ?
N25 C124 C129 C130 -179(2) . . . . ?
N26 C108 C112 K3 -69.6(13) . . . . ?
N26 C108 C112 C111 -2(2) . . . . ?
N26 C108 C112 C148 176(2) . . . . ?
N26 C110 C111 K3 67.8(13) . . . . ?
N26 C110 C111 C112 -3(2) . . . . ?
N26 C110 C111 C145 -171(2) . . . . ?
N27 C108 C112 K3 122(2) . . . . ?
N27 C108 C112 C111 -170(2) . . . . ?
N27 C108 C112 C148 8(4) . . . . ?
N27 C109 C138 K4 -114(3) . . . . ?
N27 C109 C138 C139 -9(5) . . . . ?
N27 C109 C138 C143 166(2) . . . . ?
N28 C113 C150 C151 16(3) . . . . ?
N28 C113 C150 C156 -171(3) . . . . ?
N28 C149 C151 C150 -10(3) . . . . ?
N28 C149 C151 C159 174(3) . . . . ?
N29 C110 C111 K3 -137(2) . . . . ?
N29 C110 C111 C112 152(2) . . . . ?
N29 C110 C111 C145 -16(4) . . . . ?
N29 C113 C150 C151 -158(2) . . . . ?
N29 C113 C150 C156 15(5) . . . . ?
N31 C123 C127 C126 11(2) . . . . ?
N31 C123 C127 C155 178(2) . . . . ?
N31 C125 C126 C127 -8(2) . . . . ?
N31 C125 C126 C152 176(2) . . . . ?
N32 C123 C127 C126 -158.0(18) . . . . ?
N32 C123 C127 C155 9(3) . . . . ?
N32 C124 C129 K3 -135(2) . . . . ?
N32 C124 C129 C128 156(2) . . . . ?
N32 C124 C129 C130 -20(4) . . . . ?
N33 C122 C234 K4 128(4) . . . . ?
N33 C122 C234 C229 -161(4) . . . . ?
N33 C122 C234 C233 21(13) . . . . ?
N33 C125 C126 C127 155(2) . . . . ?
N33 C125 C126 C152 -21(4) . . . . ?
N34 C149 C151 C150 157(3) . . . . ?
N34 C149 C151 C159 -19(5) . . . . ?
N41 C109 C138 K4 77.2(16) . . . . ?
N41 C109 C138 C139 -177(3) . . . . ?
N41 C109 C138 C143 -2(3) . . . . ?
N3 C10 C15 K1 136(3) . . . . ?
N3 C10 C15 C14 -156(2) . . . . ?
N3 C10 C15 C21 21(5) . . . . ?
N3 C197 C206 C207 117(8) . . . . ?
N3 C197 C206 C209 -51(9) . . . . ?
N13 B1 N1 K2 -126.5(17) . . . . ?
N13 B1 N1 C11 -22(3) . . . . ?
N13 B1 N1 C12 143(2) . . . . ?
C1 C2 C3 C4 2(5) . . . . ?
C1 C2 C7 N3 154(3) . . . . ?
C1 C2 C7 N13 -9(4) . . . . ?
C2 C1 C6 C5 -1(5) . . . . ?
C2 C1 C8 N4 -154(4) . . . . ?
C2 C1 C8 N13 13(4) . . . . ?
C2 C3 C4 C5 -7(5) . . . . ?
C3 C2 C7 N3 -20(7) . . . . ?
C3 C2 C7 N13 177(4) . . . . ?
C3 C4 C5 C6 7(5) . . . . ?
C4 C5 C6 C1 -3(5) . . . . ?
C6 C1 C2 C3 2(5) . . . . ?
C6 C1 C2 C7 -173(3) . . . . ?
C6 C1 C8 N4 16(6) . . . . ?
C6 C1 C8 N13 -177(3) . . . . ?
C7 N3 C10 K1 -105(2) . . . . ?
C7 N3 C10 N2 -13(3) . . . . ?
C7 N3 C10 C15 142(3) . . . . ?
C7 N13 C8 N4 148(4) . . . . ?
C7 N13 C8 C1 -20(4) . . . . ?
C7 N13 B1 N2 -28(4) . . . . ?
C7 N13 B1 N6 97(3) . . . . ?
C7 N13 B1 N1 -135(3) . . . . ?
C7 C2 C3 C4 175(4) . . . . ?
C8 N4 C11 K2 104(3) . . . . ?
C8 N4 C11 C16 -149(3) . . . . ?
C8 N4 C11 N1 11(3) . . . . ?
C8 N13 C7 N3 -145(3) . . . . ?
C8 N13 C7 C2 19(4) . . . . ?
C8 N13 B1 N2 132(3) . . . . ?
C8 N13 B1 N6 -103(4) . . . . ?
C8 N13 B1 N1 25(4) . . . . ?
C8 C1 C2 C3 173(3) . . . . ?
C8 C1 C2 C7 -2(4) . . . . ?
C8 C1 C6 C5 -171(3) . . . . ?
B1 N2 C10 K1 125.9(19) . . . . ?
B1 N2 C10 N3 -2(3) . . . . ?
B1 N2 C10 C15 -162(2) . . . . ?
B1 N2 C13 K1 -121.5(17) . . . . ?
B1 N2 C13 N5 -10(3) . . . . ?
B1 N2 C13 C14 162.3(19) . . . . ?
B1 N6 C26 K1 -37(2) . . . . ?
B1 N6 C26 N7 -125(2) . . . . ?
B1 N6 C26 C40 49(4) . . . . ?
B1 N6 C26 C218 83(4) . . . . ?
B1 N6 C27 K2 39(2) . . . . ?
B1 N6 C27 N8 128.1(18) . . . . ?
B1 N6 C27 C33 -63(3) . . . . ?
B1 N13 C7 N3 17(5) . . . . ?
B1 N13 C7 C2 -179(3) . . . . ?
B1 N13 C8 N4 -12(6) . . . . ?
B1 N13 C8 C1 180(3) . . . . ?
B1 N39 C197 N3 44(7) . . . . ?
B1 N39 C197 C206 -172(4) . . . . ?
B1 N39 C208 N4 -19(6) . . . . ?
B1 N39 C208 C207 172(4) . . . . ?
C10 N2 B1 N6 -107(2) . . . . ?
C10 N2 B1 N13 23(3) . . . . ?
C10 N2 B1 N39 17(3) . . . . ?
C10 N2 B1 N1 128(2) . . . . ?
C10 N2 C13 K1 79.9(15) . . . . ?
C10 N2 C13 N5 -168.8(18) . . . . ?
C10 N2 C13 C14 4(3) . . . . ?
C10 N3 C7 N13 5(4) . . . . ?
C10 N3 C7 C2 -154(3) . . . . ?
C10 N3 C197 N39 -23(7) . . . . ?
C10 N3 C197 C206 -137(6) . . . . ?
C10 C15 C21 C20 -170(3) . . . . ?
C11 N4 C8 N13 -8(5) . . . . ?
C11 N4 C8 C1 156(3) . . . . ?
C11 N4 C208 N39 -9(5) . . . . ?
C11 N4 C208 C207 156(5) . . . . ?
C11 C16 C17 K2 74.4(14) . . . . ?
C11 C16 C17 C12 2(2) . . . . ?
C11 C16 C17 C25 -178.0(18) . . . . ?
C11 C16 C22 C23 175(2) . . . . ?
C12 N5 C13 K1 134.3(13) . . . . ?
C12 N5 C13 N2 48(2) . . . . ?
C12 N5 C13 C14 -122(3) . . . . ?
C12 N5 B3 N9 -147.7(18) . . . . ?
C12 N5 B3 N10 -28(3) . . . . ?
C12 N5 B3 N30 89(2) . . . . ?
C12 N5 B3 N36 109(4) . . . . ?
C12 C17 C25 C24 -178(2) . . . . ?
C13 N2 B1 N6 97(2) . . . . ?
C13 N2 B1 N13 -133(2) . . . . ?
C13 N2 B1 N39 -139(3) . . . . ?
C13 N2 B1 N1 -28(2) . . . . ?
C13 N2 C10 K1 -75.7(15) . . . . ?
C13 N2 C10 N3 156(2) . . . . ?
C13 N2 C10 C15 -3(3) . . . . ?
C13 N5 C12 K2 -138.5(13) . . . . ?
C13 N5 C12 C17 124(2) . . . . ?
C13 N5 C12 N1 -46(2) . . . . ?
C13 N5 B3 N9 27(3) . . . . ?
C13 N5 B3 N10 145.8(18) . . . . ?
C13 N5 B3 N30 -97(2) . . . . ?
C13 N5 B3 N36 -77(4) . . . . ?
C13 C14 C15 K1 69.2(16) . . . . ?
C13 C14 C15 C10 0(3) . . . . ?
C13 C14 C15 C21 -177(2) . . . . ?
C13 C14 C18 C19 165(3) . . . . ?
C14 C15 C21 C20 7(4) . . . . ?
C14 C18 C19 C20 9(4) . . . . ?
C15 C14 C18 C19 2(4) . . . . ?
C16 C11 N1 K2 -66.3(14) . . . . ?
C16 C11 N1 B1 170.8(18) . . . . ?
C16 C11 N1 C12 4(2) . . . . ?
C16 C17 C25 C24 2(3) . . . . ?
C16 C22 C23 C24 2(4) . . . . ?
C17 C12 N1 K2 75.1(13) . . . . ?
C17 C12 N1 B1 -169.2(18) . . . . ?
C17 C12 N1 C11 -3(2) . . . . ?
C17 C16 C22 C23 3(3) . . . . ?
C18 C14 C15 K1 -124(3) . . . . ?
C18 C14 C15 C10 167(3) . . . . ?
C18 C14 C15 C21 -11(4) . . . . ?
C18 C19 C20 C21 -12(4) . . . . ?
C19 C20 C21 C15 4(4) . . . . ?
C22 C16 C17 K2 -112.0(17) . . . . ?
C22 C16 C17 C12 176.0(17) . . . . ?
C22 C16 C17 C25 -4(3) . . . . ?
C22 C23 C24 C25 -4(4) . . . . ?
C23 C24 C25 C17 2(4) . . . . ?
C26 N6 B1 N2 26(3) . . . . ?
C26 N6 B1 N13 -98(3) . . . . ?
C26 N6 B1 N39 -80(3) . . . . ?
C26 N6 B1 N1 142(2) . . . . ?
C26 N6 C27 K2 -132.8(14) . . . . ?
C26 N6 C27 N8 -43(2) . . . . ?
C26 N6 C27 C33 125(2) . . . . ?
C26 N7 C42 K1 -76.6(16) . . . . ?
C26 N7 C42 C41 -14(3) . . . . ?
C26 N7 C42 N40 151(2) . . . . ?
C26 N7 C42 C213 14(3) . . . . ?
C26 N7 B2 N8 -28(2) . . . . ?
C26 N7 B2 N11 96(2) . . . . ?
C26 N7 B2 N12 -139(2) . . . . ?
C26 N7 B2 N38 -132(3) . . . . ?
C26 C40 C41 K1 80(3) . . . . ?
C26 C40 C41 C42 2(4) . . . . ?
C26 C40 C41 C46 -172(4) . . . . ?
C26 C40 C43 C44 171(4) . . . . ?
C27 N6 B1 N2 -143.5(17) . . . . ?
C27 N6 B1 N13 92(3) . . . . ?
C27 N6 B1 N39 110(3) . . . . ?
C27 N6 B1 N1 -27(3) . . . . ?
C27 N6 C26 K1 133.4(13) . . . . ?
C27 N6 C26 N7 46(3) . . . . ?
C27 N6 C26 C40 -140(3) . . . . ?
C27 N6 C26 C218 -107(4) . . . . ?
C27 N8 C34 K2 74.4(14) . . . . ?
C27 N8 C34 C35 6(2) . . . . ?
C27 N8 C34 N14 -160(3) . . . . ?
C27 N8 C34 N37 -151(5) . . . . ?
C27 N8 B2 N7 29(2) . . . . ?
C27 N8 B2 N11 -95(2) . . . . ?
C27 N8 B2 N12 134(2) . . . . ?
C27 N8 B2 N38 140(3) . . . . ?
C27 C33 C35 K2 -73.4(14) . . . . ?
C27 C33 C35 C34 0(2) . . . . ?
C27 C33 C35 C36 170(2) . . . . ?
C27 C33 C35 C228 -171(3) . . . . ?
C27 C33 C39 C38 -170(3) . . . . ?
C27 C33 C225 C226 174(5) . . . . ?
C28 N9 C32 K1 -68.7(14) . . . . ?
C28 N9 C32 C31 -7(2) . . . . ?
C28 N9 C32 N16 156(2) . . . . ?
C28 N9 C32 N35 166(5) . . . . ?
C28 N9 B3 N5 91(2) . . . . ?
C28 N9 B3 N10 -33(3) . . . . ?
C28 N9 B3 N30 -140(2) . . . . ?
C28 N9 B3 N36 -150(3) . . . . ?
C28 N11 C29 K2 -131.8(13) . . . . ?
C28 N11 C29 N10 -48(2) . . . . ?
C28 N11 C29 C59 119(2) . . . . ?
C28 N11 B2 N7 22(3) . . . . ?
C28 N11 B2 N8 141.4(18) . . . . ?
C28 N11 B2 N12 -92(3) . . . . ?
C28 N11 B2 N38 -105(3) . . . . ?
C28 C30 C31 K1 74.7(15) . . . . ?
C28 C30 C31 C32 -4(2) . . . . ?
C28 C30 C31 C68 -175.8(19) . . . . ?
C28 C30 C65 C66 179(2) . . . . ?
C29 N10 C55 K2 79.7(14) . . . . ?
C29 N10 C55 N15 -158.0(19) . . . . ?
C29 N10 C55 C60 6(2) . . . . ?
C29 N10 B3 N5 -97(2) . . . . ?
C29 N10 B3 N9 27(2) . . . . ?
C29 N10 B3 N30 137.2(19) . . . . ?
C29 N10 B3 N36 125(4) . . . . ?
C29 N11 C28 K1 135.7(13) . . . . ?
C29 N11 C28 N9 42(2) . . . . ?
C29 N11 C28 C30 -127(3) . . . . ?
C29 N11 B2 N7 -146.7(17) . . . . ?
C29 N11 B2 N8 -27(3) . . . . ?
C29 N11 B2 N12 99(3) . . . . ?
C29 N11 B2 N38 86(4) . . . . ?
C29 C59 C60 K2 -64.4(14) . . . . ?
C29 C59 C60 C55 4(2) . . . . ?
C29 C59 C60 C61 177(2) . . . . ?
C29 C59 C64 C63 -170(2) . . . . ?
C30 C31 C32 K1 68.4(15) . . . . ?
C30 C31 C32 N9 7(2) . . . . ?
C30 C31 C32 N16 -153(2) . . . . ?
C30 C31 C32 N35 -167(4) . . . . ?
C30 C31 C68 C67 -5(3) . . . . ?
C30 C65 C66 C67 -2(4) . . . . ?
C31 C30 C65 C66 0(3) . . . . ?
C31 C32 N16 C56 152(3) . . . . ?
C31 C32 N35 C198 156(6) . . . . ?
C32 N9 C28 K1 78.2(14) . . . . ?
C32 N9 C28 N11 -167.1(16) . . . . ?
C32 N9 C28 C30 5(2) . . . . ?
C32 N9 B3 N5 -105(2) . . . . ?
C32 N9 B3 N10 131.2(18) . . . . ?
C32 N9 B3 N30 24(3) . . . . ?
C32 N9 B3 N36 14(3) . . . . ?
C32 C31 C68 C67 -174(2) . . . . ?
C32 N16 C56 N30 4(6) . . . . ?
C32 N16 C56 C57 -160(4) . . . . ?
C32 N35 C198 N36 13(12) . . . . ?
C32 N35 C198 C199 -155(8) . . . . ?
C33 C35 C36 C37 0(5) . . . . ?
C33 C35 C228 C227 -2(6) . . . . ?
C33 C225 C226 C227 -19(10) . . . . ?
C34 N8 C27 K2 -79.1(14) . . . . ?
C34 N8 C27 N6 165.8(16) . . . . ?
C34 N8 C27 C33 -6(2) . . . . ?
C34 N8 B2 N7 -129.8(18) . . . . ?
C34 N8 B2 N11 106(2) . . . . ?
C34 N8 B2 N12 -25(3) . . . . ?
C34 N8 B2 N38 -19(4) . . . . ?
C34 C35 C36 C37 165(3) . . . . ?
C34 C35 C228 C227 -172(4) . . . . ?
C34 N14 C50 N12 -16(6) . . . . ?
C34 N14 C50 C49 156(4) . . . . ?
C34 N37 C219 N38 8(12) . . . . ?
C34 N37 C219 C221 158(8) . . . . ?
C35 C33 C39 C38 -6(4) . . . . ?
C35 C33 C225 C226 16(7) . . . . ?
C35 C34 N14 C50 -144(3) . . . . ?
C35 C34 N37 C219 -157(6) . . . . ?
C35 C36 C37 C38 0(6) . . . . ?
C36 C37 C38 C39 -3(6) . . . . ?
C37 C38 C39 C33 6(5) . . . . ?
C39 C33 C35 K2 120(3) . . . . ?
C39 C33 C35 C34 -167(2) . . . . ?
C39 C33 C35 C36 3(4) . . . . ?
C42 N7 C26 K1 81.1(18) . . . . ?
C42 N7 C26 N6 -169(2) . . . . ?
C42 N7 C26 C40 15(3) . . . . ?
C42 N7 C26 C218 -12(4) . . . . ?
C42 N7 B2 N8 132(2) . . . . ?
C42 N7 B2 N11 -104(2) . . . . ?
C42 N7 B2 N12 21(3) . . . . ?
C42 N7 B2 N38 28(4) . . . . ?
C42 C41 C46 C45 -174(4) . . . . ?
C42 N40 C235 N12 3(4) . . . . ?
C42 N40 C235 C48 -158(2) . . . . ?
C42 N40 C235 N38 -2(5) . . . . ?
C42 N40 C235 C73 -152(3) . . . . ?
C42 C213 C214 C215 170(6) . . . . ?
C42 C213 C218 C26 4(6) . . . . ?
C42 C213 C218 C217 180(5) . . . . ?
C40 C41 C46 C45 -2(6) . . . . ?
C40 C43 C44 C45 -3(7) . . . . ?
C41 C42 N40 C235 156(3) . . . . ?
C41 C40 C43 C44 3(6) . . . . ?
C43 C40 C41 K1 -109(4) . . . . ?
C43 C40 C41 C42 173(4) . . . . ?
C43 C40 C41 C46 0(7) . . . . ?
C43 C44 C45 C46 0(8) . . . . ?
C44 C45 C46 C41 2(7) . . . . ?
C55 N10 C29 K2 -82.8(14) . . . . ?
C55 N10 C29 N11 166.7(17) . . . . ?
C55 N10 C29 C59 -3(2) . . . . ?
C55 N10 B3 N5 111(2) . . . . ?
C55 N10 B3 N9 -125.6(19) . . . . ?
C55 N10 B3 N30 -15(3) . . . . ?
C55 N10 B3 N36 -27(4) . . . . ?
C55 N15 C54 N30 -7(4) . . . . ?
C55 N15 C54 C58 153(3) . . . . ?
C55 N15 C201 N36 -18(7) . . . . ?
C55 N15 C201 C200 159(6) . . . . ?
C55 C60 C61 C62 163(2) . . . . ?
C59 C60 C61 C62 -7(3) . . . . ?
C60 C59 C64 C63 3(3) . . . . ?
C60 C61 C62 C63 7(3) . . . . ?
C61 C62 C63 C64 -2(3) . . . . ?
C62 C63 C64 C59 -3(3) . . . . ?
C64 C59 C60 K2 120.8(17) . . . . ?
C64 C59 C60 C55 -170.5(17) . . . . ?
C64 C59 C60 C61 2(3) . . . . ?
C65 C30 C31 K1 -106(2) . . . . ?
C65 C30 C31 C32 175(2) . . . . ?
C65 C30 C31 C68 4(3) . . . . ?
C65 C66 C67 C68 1(3) . . . . ?
C66 C67 C68 C31 3(3) . . . . ?
C68 C31 C32 K1 -122(3) . . . . ?
C68 C31 C32 N9 176(2) . . . . ?
C68 C31 C32 N16 16(4) . . . . ?
C68 C31 C32 N35 2(6) . . . . ?
C70 O26 C312 K2 -142(4) . . . . ?
C70 O26 C312 C72 -89(5) . . . . ?
C72 O24 C81 K2 -136(4) . . . . ?
N40 C42 C41 K1 133(3) . . . . ?
N40 C42 C41 C40 -158(3) . . . . ?
N40 C42 C41 C46 15(6) . . . . ?
N40 C42 C213 C214 36(8) . . . . ?
N40 C42 C213 C218 -151(4) . . . . ?
N40 C235 N12 C50 -148(3) . . . . ?
N40 C235 N12 B2 16(5) . . . . ?
N40 C235 C48 C236 -23(5) . . . . ?
N40 C235 C48 C49 155(2) . . . . ?
N40 C235 N38 C219 -148(6) . . . . ?
N40 C235 N38 B2 22(7) . . . . ?
N40 C235 C73 C221 149(3) . . . . ?
N40 C235 C73 C47 -24(5) . . . . ?
C235 N12 C50 N14 156(5) . . . . ?
C235 N12 C50 C49 -17(5) . . . . ?
C235 N12 B2 N7 -26(4) . . . . ?
C235 N12 B2 N8 -134(4) . . . . ?
C235 N12 B2 N11 96(4) . . . . ?
C235 C48 C49 C50 -2(4) . . . . ?
C235 C48 C49 C76 -169(3) . . . . ?
C235 N38 C219 N37 142(8) . . . . ?
C235 N38 C219 C221 -13(11) . . . . ?
C235 N38 B2 N7 -31(6) . . . . ?
C235 N38 B2 N8 -139(4) . . . . ?
C235 N38 B2 N11 99(5) . . . . ?
N12 C235 C48 C236 173(3) . . . . ?
N12 C235 C48 C49 -8(3) . . . . ?
N14 C34 C35 K2 -129(3) . . . . ?
N14 C34 C35 C33 163(3) . . . . ?
N14 C34 C35 C36 -4(5) . . . . ?
C236 C48 C49 C50 176(3) . . . . ?
C236 C48 C49 C76 9(4) . . . . ?
C236 C74 C75 C76 3(5) . . . . ?
C48 C235 N12 C50 16(4) . . . . ?
C48 C235 N12 B2 -179(3) . . . . ?
C48 C236 C74 C75 -4(4) . . . . ?
C48 C49 C50 N12 12(4) . . . . ?
C48 C49 C50 N14 -162(4) . . . . ?
C48 C49 C76 C75 -10(4) . . . . ?
C50 N12 B2 N7 137(4) . . . . ?
C50 N12 B2 N8 29(4) . . . . ?
C50 N12 B2 N11 -101(4) . . . . ?
C50 C49 C76 C75 -173(4) . . . . ?
C74 C236 C48 C235 175(3) . . . . ?
C74 C236 C48 C49 -3(4) . . . . ?
C74 C75 C76 C49 4(4) . . . . ?
C76 C49 C50 N12 176(4) . . . . ?
C76 C49 C50 N14 3(8) . . . . ?
N16 C56 C57 C58 157(4) . . . . ?
N16 C56 C57 C77 -16(7) . . . . ?
N30 C54 C58 C57 13(3) . . . . ?
N30 C54 C58 C80 -173(3) . . . . ?
N30 C56 C57 C58 -9(4) . . . . ?
N30 C56 C57 C77 177(4) . . . . ?
C54 N15 C55 K2 107(2) . . . . ?
C54 N15 C55 N10 17(3) . . . . ?
C54 N15 C55 C60 -144(3) . . . . ?
C54 N30 C56 N16 -149(4) . . . . ?
C54 N30 C56 C57 18(4) . . . . ?
C54 N30 B3 N5 -98(3) . . . . ?
C54 N30 B3 N9 135(3) . . . . ?
C54 N30 B3 N10 25(3) . . . . ?
C54 C58 C80 C79 -171(3) . . . . ?
C56 N30 C54 N15 146(3) . . . . ?
C56 N30 C54 C58 -20(4) . . . . ?
C56 N30 B3 N5 102(3) . . . . ?
C56 N30 B3 N9 -25(3) . . . . ?
C56 N30 B3 N10 -135(3) . . . . ?
C56 C57 C58 C54 -3(4) . . . . ?
C56 C57 C58 C80 -177(3) . . . . ?
C56 C57 C77 C78 175(4) . . . . ?
C57 C58 C80 C79 2(4) . . . . ?
C57 C77 C78 C79 -2(5) . . . . ?
C58 C57 C77 C78 3(5) . . . . ?
C77 C57 C58 C54 171(3) . . . . ?
C77 C57 C58 C80 -3(5) . . . . ?
C77 C78 C79 C80 1(4) . . . . ?
C78 C79 C80 C58 -1(4) . . . . ?
C81 O24 C72 K2 139(4) . . . . ?
C81 O24 C72 C312 -175(4) . . . . ?
C82 C83 C84 C85 -2(4) . . . . ?
C82 C87 C88 N17 10(2) . . . . ?
C82 C87 C88 N18 -156(2) . . . . ?
C83 C82 C87 C86 2(3) . . . . ?
C83 C82 C87 C88 175(2) . . . . ?
C83 C82 C89 N17 175(2) . . . . ?
C83 C82 C89 N21 -16(4) . . . . ?
C83 C84 C85 C86 0(4) . . . . ?
C84 C85 C86 C87 3(4) . . . . ?
C85 C86 C87 C82 -4(3) . . . . ?
C85 C86 C87 C88 -174(2) . . . . ?
C86 C87 C88 N17 -179(3) . . . . ?
C86 C87 C88 N18 15(4) . . . . ?
C87 C82 C83 C84 1(3) . . . . ?
C87 C82 C89 N17 -11(2) . . . . ?
C87 C82 C89 N21 157(3) . . . . ?
C88 N17 C89 N21 -152(2) . . . . ?
C88 N17 C89 C82 17(2) . . . . ?
C88 N17 B4 N19 28(3) . . . . ?
C88 N17 B4 N20 136(2) . . . . ?
C88 N17 B4 N23 -100(3) . . . . ?
C88 N18 C90 K3 106(2) . . . . ?
C88 N18 C90 N19 12(3) . . . . ?
C88 N18 C90 C92 -150(2) . . . . ?
C89 N17 C88 N18 148(2) . . . . ?
C89 N17 C88 C87 -18(2) . . . . ?
C89 N17 B4 N19 -132(2) . . . . ?
C89 N17 B4 N20 -25(3) . . . . ?
C89 N17 B4 N23 99(3) . . . . ?
C89 N21 C91 K4 -102(3) . . . . ?
C89 N21 C91 N20 -9(4) . . . . ?
C89 N21 C91 C97 135(3) . . . . ?
C89 C82 C83 C84 174(2) . . . . ?
C89 C82 C87 C86 -172.3(19) . . . . ?
C89 C82 C87 C88 1(3) . . . . ?
C90 N18 C88 N17 -8(3) . . . . ?
C90 N18 C88 C87 156(2) . . . . ?
C90 N19 C94 K3 -79.5(14) . . . . ?
C90 N19 C94 N22 168.2(17) . . . . ?
C90 N19 C94 C93 -4(2) . . . . ?
C90 N19 B4 N17 -24(3) . . . . ?
C90 N19 B4 N20 -130.4(18) . . . . ?
C90 N19 B4 N23 107(2) . . . . ?
C90 C92 C93 K3 74.6(14) . . . . ?
C90 C92 C93 C94 3(2) . . . . ?
C90 C92 C93 C101 -177.2(19) . . . . ?
C90 C92 C98 C99 174(3) . . . . ?
C91 N20 C95 K4 75.0(17) . . . . ?
C91 N20 C95 N22 -173(2) . . . . ?
C91 N20 C95 C96 -1(3) . . . . ?
C91 N20 B4 N17 25(3) . . . . ?
C91 N20 B4 N19 133(2) . . . . ?
C91 N20 B4 N23 -104(2) . . . . ?
C91 N21 C89 N17 10(4) . . . . ?
C91 N21 C89 C82 -156(2) . . . . ?
C91 C97 C105 C104 -172(3) . . . . ?
C92 C93 C94 K3 77.1(15) . . . . ?
C92 C93 C94 N19 1(2) . . . . ?
C92 C93 C94 N22 -170(2) . . . . ?
C92 C93 C101 C100 2(3) . . . . ?
C92 C98 C99 C100 -2(4) . . . . ?
C93 C92 C98 C99 4(3) . . . . ?
C94 N19 C90 K3 71.7(13) . . . . ?
C94 N19 C90 N18 -157.7(18) . . . . ?
C94 N19 C90 C92 7(2) . . . . ?
C94 N19 B4 N17 137.3(18) . . . . ?
C94 N19 B4 N20 31(2) . . . . ?
C94 N19 B4 N23 -91(2) . . . . ?
C94 N22 C95 K4 135.6(14) . . . . ?
C94 N22 C95 N20 47(3) . . . . ?
C94 N22 C95 C96 -122(3) . . . . ?
C94 N22 B7 N26 -27(3) . . . . ?
C94 N22 B7 N28 91(2) . . . . ?
C94 N22 B7 N41 -150.8(19) . . . . ?
C94 C93 C101 C100 -178(3) . . . . ?
C95 N20 C91 K4 -73.0(16) . . . . ?
C95 N20 C91 N21 154(2) . . . . ?
C95 N20 C91 C97 0(3) . . . . ?
C95 N20 B4 N17 -138(2) . . . . ?
C95 N20 B4 N19 -30(3) . . . . ?
C95 N20 B4 N23 93(2) . . . . ?
C95 N22 C94 K3 -137.6(16) . . . . ?
C95 N22 C94 N19 -46(3) . . . . ?
C95 N22 C94 C93 124(3) . . . . ?
C95 N22 B7 N26 146(2) . . . . ?
C95 N22 B7 N28 -95(3) . . . . ?
C95 N22 B7 N41 23(3) . . . . ?
C95 C96 C97 K4 68.5(16) . . . . ?
C95 C96 C97 C91 -2(3) . . . . ?
C95 C96 C97 C105 -174(2) . . . . ?
C95 C96 C102 C103 172(3) . . . . ?
C96 C97 C105 C104 -1(4) . . . . ?
C96 C102 C103 C104 2(4) . . . . ?
C97 C96 C102 C103 1(4) . . . . ?
C98 C92 C93 K3 -112.3(18) . . . . ?
C98 C92 C93 C94 176.2(19) . . . . ?
C98 C92 C93 C101 -4(3) . . . . ?
C98 C99 C100 C101 -1(4) . . . . ?
C99 C100 C101 C93 0(4) . . . . ?
C101 C93 C94 K3 -102(3) . . . . ?
C101 C93 C94 N19 -179(2) . . . . ?
C101 C93 C94 N22 11(5) . . . . ?
C102 C96 C97 K4 -119(2) . . . . ?
C102 C96 C97 C91 171(2) . . . . ?
C102 C96 C97 C105 -2(4) . . . . ?
C102 C103 C104 C105 -5(5) . . . . ?
C103 C104 C105 C97 4(4) . . . . ?
C106 N23 C107 K3 -137.3(14) . . . . ?
C106 N23 C107 N25 -45(2) . . . . ?
C106 N23 C107 C128 122(2) . . . . ?
C106 N23 B4 N17 -86(3) . . . . ?
C106 N23 B4 N19 149.8(19) . . . . ?
C106 N23 B4 N20 33(3) . . . . ?
C106 N24 C122 K4 -78.9(15) . . . . ?
C106 N24 C122 N33 155(2) . . . . ?
C106 N24 C122 C121 3(3) . . . . ?
C106 N24 C122 C234 -19(4) . . . . ?
C106 N24 B5 N25 -27(3) . . . . ?
C106 N24 B5 N27 98(2) . . . . ?
C106 N24 B5 N31 -133.6(19) . . . . ?
C106 C116 C117 C118 171(4) . . . . ?
C106 C116 C121 C120 -176(3) . . . . ?
C106 C116 C121 C122 1(4) . . . . ?
C106 C229 C230 C231 173(7) . . . . ?
C106 C229 C234 K4 82(4) . . . . ?
C106 C229 C234 C122 0(8) . . . . ?
C106 C229 C234 C233 178(6) . . . . ?
C107 N23 C106 K4 132.2(13) . . . . ?
C107 N23 C106 N24 49(2) . . . . ?
C107 N23 C106 C116 -113(3) . . . . ?
C107 N23 C106 C229 -142(6) . . . . ?
C107 N23 B4 N17 99(3) . . . . ?
C107 N23 B4 N19 -25(3) . . . . ?
C107 N23 B4 N20 -142.3(19) . . . . ?
C107 N25 C124 K3 71.9(14) . . . . ?
C107 N25 C124 N32 -155.7(19) . . . . ?
C107 N25 C124 C129 4(2) . . . . ?
C107 N25 B5 N24 32(2) . . . . ?
C107 N25 B5 N27 -92(2) . . . . ?
C107 N25 B5 N31 138.1(17) . . . . ?
C107 C128 C129 K3 -71.8(13) . . . . ?
C107 C128 C129 C124 2(2) . . . . ?
C107 C128 C129 C130 178(2) . . . . ?
C107 C128 C133 C132 -177(2) . . . . ?
C108 N26 C110 K3 78.4(14) . . . . ?
C108 N26 C110 N29 -153.2(19) . . . . ?
C108 N26 C110 C111 2(2) . . . . ?
C108 N26 B7 N22 -98(2) . . . . ?
C108 N26 B7 N28 138.1(18) . . . . ?
C108 N26 B7 N41 26(3) . . . . ?
C108 N27 C109 K4 138.0(13) . . . . ?
C108 N27 C109 N41 44(2) . . . . ?
C108 N27 C109 C138 -124(3) . . . . ?
C108 N27 B5 N24 -148.2(17) . . . . ?
C108 N27 B5 N25 -29(3) . . . . ?
C108 N27 B5 N31 92(2) . . . . ?
C108 C112 C148 C147 -173(2) . . . . ?
C109 N27 C108 K3 -131.0(14) . . . . ?
C109 N27 C108 N26 -49(2) . . . . ?
C109 N27 C108 C112 118(3) . . . . ?
C109 N27 B5 N24 25(3) . . . . ?
C109 N27 B5 N25 144(2) . . . . ?
C109 N27 B5 N31 -95(3) . . . . ?
C109 N41 C144 K4 -69.2(15) . . . . ?
C109 N41 C144 N34 156.0(19) . . . . ?
C109 N41 C144 C143 -6(3) . . . . ?
C109 N41 B7 N22 95(2) . . . . ?
C109 N41 B7 N26 -32(3) . . . . ?
C109 N41 B7 N28 -142.4(19) . . . . ?
C109 C138 C139 C140 177(3) . . . . ?
C109 C138 C143 K4 74.4(16) . . . . ?
C109 C138 C143 C142 -175(2) . . . . ?
C109 C138 C143 C144 -1(3) . . . . ?
C110 N26 C108 K3 -78.9(14) . . . . ?
C110 N26 C108 N27 170.7(16) . . . . ?
C110 N26 C108 C112 0(2) . . . . ?
C110 N26 B7 N22 108(2) . . . . ?
C110 N26 B7 N28 -17(3) . . . . ?
C110 N26 B7 N41 -129(2) . . . . ?
C110 N29 C113 N28 -9(3) . . . . ?
C110 N29 C113 C150 163(2) . . . . ?
C110 C111 C112 K3 67.3(14) . . . . ?
C110 C111 C112 C108 3(2) . . . . ?
C110 C111 C112 C148 -175.3(16) . . . . ?
C110 C111 C145 C146 170(2) . . . . ?
C111 C112 C148 C147 5(3) . . . . ?
C111 C145 C146 C147 0(3) . . . . ?
C112 C111 C145 C146 3(3) . . . . ?
C113 N28 C149 N34 -147(3) . . . . ?
C113 N28 C149 C151 21(3) . . . . ?
C113 N28 B7 N22 -106(3) . . . . ?
C113 N28 B7 N26 18(3) . . . . ?
C113 N28 B7 N41 133(2) . . . . ?
C113 N29 C110 K3 106(2) . . . . ?
C113 N29 C110 N26 11(3) . . . . ?
C113 N29 C110 C111 -140(2) . . . . ?
C113 C150 C151 C149 -2(2) . . . . ?
C113 C150 C151 C159 174(2) . . . . ?
C113 C150 C156 C157 -173(3) . . . . ?
C116 C117 C118 C119 9(5) . . . . ?
C116 C121 C122 K4 65(3) . . . . ?
C116 C121 C122 N24 -2(4) . . . . ?
C116 C121 C122 N33 -151(3) . . . . ?
C117 C116 C121 C120 -4(5) . . . . ?
C117 C116 C121 C122 173(3) . . . . ?
C117 C118 C119 C120 -17(5) . . . . ?
C118 C119 C120 C121 14(5) . . . . ?
C119 C120 C121 C116 -4(5) . . . . ?
C119 C120 C121 C122 180(4) . . . . ?
C120 C121 C122 K4 -118(4) . . . . ?
C120 C121 C122 N24 174(3) . . . . ?
C120 C121 C122 N33 26(5) . . . . ?
C121 C116 C117 C118 1(6) . . . . ?
C122 N24 C106 K4 82.9(14) . . . . ?
C122 N24 C106 N23 -168.8(18) . . . . ?
C122 N24 C106 C116 -3(3) . . . . ?
C122 N24 C106 C229 19(4) . . . . ?
C122 N24 B5 N25 127(2) . . . . ?
C122 N24 B5 N27 -108(2) . . . . ?
C122 N24 B5 N31 21(3) . . . . ?
C122 N33 C125 N31 4(3) . . . . ?
C122 N33 C125 C126 -156(2) . . . . ?
C123 N31 C125 N33 -147(2) . . . . ?
C123 N31 C125 C126 16(2) . . . . ?
C123 N31 B5 N24 136.3(18) . . . . ?
C123 N31 B5 N25 29(2) . . . . ?
C123 N31 B5 N27 -99(2) . . . . ?
C123 N32 C124 K3 107.7(19) . . . . ?
C123 N32 C124 N25 9(3) . . . . ?
C123 N32 C124 C129 -146(2) . . . . ?
C123 C127 C155 C154 -173(2) . . . . ?
C124 N25 C107 K3 -76.9(15) . . . . ?
C124 N25 C107 N23 167.5(17) . . . . ?
C124 N25 C107 C128 -3(2) . . . . ?
C124 N25 B5 N24 -131.9(18) . . . . ?
C124 N25 B5 N27 104(2) . . . . ?
C124 N25 B5 N31 -26(2) . . . . ?
C124 N32 C123 N31 -6(3) . . . . ?
C124 N32 C123 C127 160.1(18) . . . . ?
C124 C129 C130 C131 176(3) . . . . ?
C125 N31 C123 N32 151.8(19) . . . . ?
C125 N31 C123 C127 -17(2) . . . . ?
C125 N31 B5 N24 -29(2) . . . . ?
C125 N31 B5 N25 -136.9(18) . . . . ?
C125 N31 B5 N27 96(2) . . . . ?
C125 N33 C122 K4 -99(2) . . . . ?
C125 N33 C122 N24 -12(3) . . . . ?
C125 N33 C122 C121 133(3) . . . . ?
C125 N33 C122 C234 160(5) . . . . ?
C125 C126 C127 C123 -2(2) . . . . ?
C125 C126 C127 C155 -170.2(18) . . . . ?
C125 C126 C152 C153 175(2) . . . . ?
C126 C127 C155 C154 -8(3) . . . . ?
C126 C152 C153 C154 -4(3) . . . . ?
C127 C126 C152 C153 -1(3) . . . . ?
C128 C129 C130 C131 1(4) . . . . ?
C129 C128 C133 C132 -1(4) . . . . ?
C129 C130 C131 C132 -3(4) . . . . ?
C130 C131 C132 C133 3(4) . . . . ?
C131 C132 C133 C128 -1(4) . . . . ?
C133 C128 C129 K3 112(2) . . . . ?
C133 C128 C129 C124 -175(2) . . . . ?
C133 C128 C129 C130 1(3) . . . . ?
C138 C139 C140 C141 -2(4) . . . . ?
C138 C143 C144 K4 65.4(16) . . . . ?
C138 C143 C144 N34 -155(2) . . . . ?
C138 C143 C144 N41 4(3) . . . . ?
C139 C138 C143 K4 -110(2) . . . . ?
C139 C138 C143 C142 1(4) . . . . ?
C139 C138 C143 C144 174(2) . . . . ?
C139 C140 C141 C142 -3(4) . . . . ?
C140 C141 C142 C143 7(4) . . . . ?
C141 C142 C143 K4 75(3) . . . . ?
C141 C142 C143 C138 -6(4) . . . . ?
C141 C142 C143 C144 -177(3) . . . . ?
C142 C143 C144 K4 -122(3) . . . . ?
C142 C143 C144 N34 18(5) . . . . ?
C142 C143 C144 N41 177(3) . . . . ?
C143 C138 C139 C140 3(4) . . . . ?
C144 N34 C149 N28 6(4) . . . . ?
C144 N34 C149 C151 -158(2) . . . . ?
C144 N41 C109 K4 79.0(16) . . . . ?
C144 N41 C109 N27 -165.5(18) . . . . ?
C144 N41 C109 C138 5(3) . . . . ?
C144 N41 B7 N22 -105(2) . . . . ?
C144 N41 B7 N26 128(2) . . . . ?
C144 N41 B7 N28 18(3) . . . . ?
C145 C111 C112 K3 -123(2) . . . . ?
C145 C111 C112 C108 173(2) . . . . ?
C145 C111 C112 C148 -6(3) . . . . ?
C145 C146 C147 C148 0(3) . . . . ?
C146 C147 C148 C112 -2(3) . . . . ?
C149 N28 C113 N29 148(2) . . . . ?
C149 N28 C113 C150 -24(3) . . . . ?
C149 N28 B7 N22 101(3) . . . . ?
C149 N28 B7 N26 -134(2) . . . . ?
C149 N28 B7 N41 -19(3) . . . . ?
C149 N34 C144 K4 -99(3) . . . . ?
C149 N34 C144 N41 -8(3) . . . . ?
C149 N34 C144 C143 149(3) . . . . ?
C149 C151 C159 C158 177(3) . . . . ?
C150 C151 C159 C158 1(4) . . . . ?
C150 C156 C157 C158 1(4) . . . . ?
C151 C150 C156 C157 0(4) . . . . ?
C152 C126 C127 C123 175.2(18) . . . . ?
C152 C126 C127 C155 7(3) . . . . ?
C152 C153 C154 C155 2(4) . . . . ?
C153 C154 C155 C127 4(4) . . . . ?
C156 C150 C151 C149 -178(2) . . . . ?
C156 C150 C151 C159 -1(4) . . . . ?
C156 C157 C158 C159 -1(5) . . . . ?
C157 C158 C159 C151 0(5) . . . . ?
C161 O11 C167 O12 -160(3) . . . . ?
C162 O3 C333 K5 123(3) 3_665 . . . ?
C162 O3 C333 K5 -113(3) 2_655 . . . ?
C162 O3 C333 K5 121(26) . . . . ?
C162 O3 C333 C333 52(20) . . . 2_655 ?
C162 O3 C333 C333 54(8) 3_665 . . 2_655 ?
C162 O3 C333 C333 178(8) 2_655 . . 2_655 ?
C162 O3 C333 C333 -44(7) 2_655 . . 3_665 ?
C162 O3 C333 C333 -170(32) . . . 3_665 ?
C162 O3 C333 C333 -167(7) 3_665 . . 3_665 ?
C162 O3 C333 C162 -123(5) 3_665 . . 2_655 ?
C162 O3 C333 C162 -126(28) . . . 2_655 ?
C162 O3 C333 C162 123(5) 2_655 . . 3_665 ?
C162 O3 C333 C162 -2(27) . . . 3_665 ?
C162 O3 C162 C333 -60(5) 3_665 . . 2_655 ?
C162 O3 C162 C333 179(6) 2_655 . . 2_655 ?
C162 O3 C162 C333 169(7) 3_665 . . 3_665 ?
C162 O3 C162 C333 48(4) 2_655 . . 3_665 ?
C162 O3 C162 C161 -122(5) 3_665 . . . ?
C162 O3 C162 C161 118(6) 2_655 . . . ?
C164 O10 C169 C168 167(3) . . . . ?
C166 O1 C357 C166 92(4) 3_665 . . . ?
C166 O1 C357 C166 -129(4) 2_655 . . . ?
C166 O1 C166 K5 -85(5) 2_655 . . . ?
C166 O1 C166 K5 85(5) 3_665 . . . ?
C166 O1 C166 C357 -128(6) 3_665 . . . ?
C166 O1 C166 C357 63(6) 2_655 . . . ?
C166 O1 C166 C164 -35(20) 2_655 . . . ?
C166 O1 C166 C164 134(14) 3_665 . . . ?
C167 O11 C161 C162 -144(3) . . . . ?
C167 O12 C168 C169 178(3) . . . . ?
C168 O12 C167 O11 -105(3) . . . . ?
C169 O10 C164 C166 -100(4) . . . . ?
C173 O13 C358 K6 -166(4) . . . . ?
C173 O13 C358 C314 -73(6) . . . . ?
C173 O13 O14 K6 -152(5) . . . . ?
C173 O13 O14 C175 1(5) . . . . ?
C173 O13 O14 C318 -104(5) . . . . ?
C173 O13 C175 O14 -179(4) . . . . ?
C173 C358 C314 O16 -103(4) . . . . ?
C175 O13 C358 K6 133(3) . . . . ?
C175 O13 C358 C173 -61(3) . . . . ?
C175 O13 C358 C314 -134(5) . . . . ?
C175 O13 O14 K6 -153(3) . . . . ?
C175 O13 O14 C318 -104(4) . . . . ?
C175 O13 C173 C358 114(4) . . . . ?
C175 O14 C318 K6 -109(3) . . . . ?
C176 O27 C323 C180 -119(4) . . . . ?
C176 O27 C323 C324 -124(6) . . . . ?
C176 C323 C324 O5 -8(9) . . . . ?
C176 C323 C324 C180 -57(10) . . . . ?
C180 O5 C322 C325 95(7) . . . . ?
C180 O5 C324 C323 -77(7) . . . . ?
C180 C323 C324 O5 49(5) . . . . ?
C181 O21 C183 C182 176(4) . . . . ?
C182 O22 C185 K13 138(4) . . . . ?
C184 C184 C366 O31 38(15) 2_755 . . . ?
C184 C184 C366 O31 -22(15) 3_775 . . . ?
C184 C184 C366 C366 4(7) 3_775 . . 3_775 ?
C184 C184 C366 C366 4(7) 2_755 . . 2_755 ?
C184 C184 C366 C366 -56(7) 3_775 . . 2_755 ?
C184 C184 C366 C366 64(7) 2_755 . . 3_775 ?
C185 O22 C182 C183 164(4) . . . . ?
C300 O29 C301 K3 177(4) . . . . ?
C300 O29 C301 C303 -162(4) . . . . ?
C302 O30 C303 K3 -112(5) . . . . ?
C302 O30 C303 C301 -18(6) . . . . ?
C303 O30 C302 K3 102(5) . . . . ?
C304 O4 C330 K4 -34(7) . . . . ?
C304 O4 C330 C115 -110(7) . . . . ?
C305 O6 C115 K4 -135(5) . . . . ?
C305 O6 C115 C330 176(4) . . . . ?
C308 O25 C309 K12 45(4) . . . . ?
C308 C307 C319 K10 -71(4) . . . . ?
C308 C307 C319 K12 -43(4) . . . . ?
C308 C307 C319 O7 -132(5) . . . . ?
C309 O25 C308 K10 -67(5) . . . . ?
C309 O25 C308 K12 -46(5) . . . . ?
C309 O25 C308 C307 -124(14) . . . . ?
C311 O2 C51 K1 158(4) . . . . ?
C311 O2 C51 C52 -173(3) . . . . ?
C313 O23 C184 C184 -131(6) . . . 3_775 ?
C313 O23 C184 C184 165(6) . . . 2_755 ?
C313 O23 C184 C366 13(23) . . . . ?
C314 C358 C173 O13 135(4) . . . . ?
C314 C358 C173 C175 -172(4) . . . . ?
C318 O14 C175 O13 103(4) . . . . ?
C318 O14 C175 C173 103(5) . . . . ?
C319 C307 C308 K10 70(4) . . . . ?
C319 C307 C308 K12 57(5) . . . . ?
C319 C307 C308 O25 131(14) . . . . ?
C320 O9 C326 K7 117(4) . . . . ?
C320 O9 C326 K11 100(3) . . . . ?
C320 O9 C326 C361 -169(4) . . . . ?
C321 C320 C326 K7 13(6) . . . . ?
C321 C320 C326 K11 26(5) . . . . ?
C321 C320 C326 O9 99(5) . . . . ?
C321 C320 C326 C361 113(6) . . . . ?
C322 O5 C180 K8 -130(5) . . . . ?
C322 O5 C180 C323 139(5) . . . . ?
C322 O5 C180 C324 86(8) . . . . ?
C322 O5 C324 C180 -126(7) . . . . ?
C322 O5 C324 C323 156(5) . . . . ?
C323 O27 C176 K8 120(4) . . . . ?
C323 C180 C324 O5 -110(5) . . . . ?
C324 O5 C180 K8 144(6) . . . . ?
C324 O5 C180 C323 53(6) . . . . ?
C324 O5 C322 C325 142(5) . . . . ?
C324 C180 C323 O27 -171(8) . . . . ?
C324 C180 C323 C176 139(7) . . . . ?
C326 O9 C320 K11 -73(4) . . . . ?
C326 O9 C320 C321 -99(6) . . . . ?
C326 C320 C321 K7 -10(5) . . . . ?
C326 C320 C321 K11 -32(6) . . . . ?
C326 C320 C321 O15 -170(7) . . . . ?
C327 O15 C321 K7 -74(7) . . . . ?
C327 O15 C321 K11 -56(7) . . . . ?
C327 O15 C321 C320 82(10) . . . . ?
C329 O19 C360 O28 81(6) . . . . ?
C329 O19 C360 C362 -132(8) . . . . ?
C329 O19 C362 C360 41(6) . . . . ?
C329 O28 C360 O19 -29(3) . . . . ?
C329 O28 C360 C362 -56(5) . . . . ?
C329 O28 C361 K7 -90(6) . . . . ?
C329 O28 C361 K11 -110(6) . . . . ?
C329 O28 C361 C326 -67(8) . . . . ?
C329 C360 C362 O19 -21(3) . . . . ?
C360 O19 C329 K7 -93(5) . . . . ?
C360 O19 C329 O28 -53(2) . . . . ?
C360 O19 C329 C362 40(6) . . . . ?
C360 O19 C362 C329 -41(6) . . . . ?
C360 O28 C329 K7 126(4) . . . . ?
C360 O28 C329 O19 92(8) . . . . ?
C360 O28 C329 C362 42(4) . . . . ?
C360 O28 C361 K7 -118(4) . . . . ?
C360 O28 C361 K11 -138(3) . . . . ?
C360 O28 C361 C326 -95(5) . . . . ?
C360 C329 C362 O19 129(7) . . . . ?
C361 O28 C329 K7 91(7) . . . . ?
C361 O28 C329 O19 57(9) . . . . ?
C361 O28 C329 C360 -35(7) . . . . ?
C361 O28 C329 C362 6(7) . . . . ?
C361 O28 C360 O19 133(4) . . . . ?
C361 O28 C360 C329 161(4) . . . . ?
C361 O28 C360 C362 105(5) . . . . ?
C362 O19 C329 K7 -133(7) . . . . ?
C362 O19 C329 O28 -94(5) . . . . ?
C362 O19 C329 C360 -40(6) . . . . ?
C362 O19 C360 O28 -147(5) . . . . ?
C362 O19 C360 C329 132(8) . . . . ?
C362 C329 C360 O19 -37(6) . . . . ?
C362 C329 C360 O28 -128(5) . . . . ?
C366 O31 C366 C184 -40(9) 2_755 . . . ?
C366 O31 C366 C184 31(9) 3_775 . . . ?
C366 O31 C366 C366 -71(2) 2_755 . . 3_775 ?
C366 O31 C366 C366 71(2) 3_775 . . 2_755 ?
C367 O31 C366 C184 175(9) . . . . ?
C367 O31 C366 C366 -144.5(11) . . . 2_755 ?
C367 O31 C366 C366 144.5(11) . . . 3_775 ?
C229 C230 C231 C232 9(11) . . . . ?
C230 C229 C234 K4 -99(6) . . . . ?
C230 C229 C234 C122 179(6) . . . . ?
C230 C229 C234 C233 -3(9) . . . . ?
C230 C231 C232 C233 -2(12) . . . . ?
C231 C232 C233 C234 -8(12) . . . . ?
C232 C233 C234 K4 86(8) . . . . ?
C232 C233 C234 C122 -172(8) . . . . ?
C232 C233 C234 C229 10(11) . . . . ?
C234 C229 C230 C231 -6(9) . . . . ?
C225 C33 C35 K2 94(3) . . . . ?
C225 C33 C35 C34 167(3) . . . . ?
C225 C33 C35 C228 -4(4) . . . . ?
C225 C226 C227 C228 7(10) . . . . ?
C226 C227 C228 C35 1(9) . . . . ?
N37 C34 C35 K2 -135(5) . . . . ?
N37 C34 C35 C33 156(5) . . . . ?
N37 C34 C35 C228 -33(6) . . . . ?
N37 C219 C221 C222 31(14) . . . . ?
N37 C219 C221 C73 -144(9) . . . . ?
N38 C235 C73 C221 -7(4) . . . . ?
N38 C235 C73 C47 179(4) . . . . ?
N38 C219 C221 C222 -178(5) . . . . ?
N38 C219 C221 C73 7(9) . . . . ?
C219 N38 B2 N7 137(9) . . . . ?
C219 N38 B2 N8 29(10) . . . . ?
C219 N38 B2 N11 -93(9) . . . . ?
C219 C221 C222 C223 -175(8) . . . . ?
C219 C221 C73 C235 1(6) . . . . ?
C219 C221 C73 C47 176(6) . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C222 C221 C73 C235 -174(4) . . . . ?
C222 C221 C73 C47 0.0 . . . . ?
C222 C223 C224 C47 0.0 . . . . ?
C223 C224 C47 C73 0.0 . . . . ?
C224 C47 C73 C235 173(4) . . . . ?
C224 C47 C73 C221 0.0 . . . . ?
C73 C235 N38 C219 12(7) . . . . ?
C73 C235 N38 B2 -178(5) . . . . ?
C73 C221 C222 C223 0.0 . . . . ?
C213 C42 N40 C235 127(3) . . . . ?
C213 C214 C215 C216 4(8) . . . . ?
C214 C213 C218 C26 178(4) . . . . ?
C214 C213 C218 C217 -6(8) . . . . ?
C214 C215 C216 C217 1(8) . . . . ?
C215 C216 C217 C218 -9(8) . . . . ?
C216 C217 C218 C26 -174(5) . . . . ?
C216 C217 C218 C213 11(9) . . . . ?
C218 C213 C214 C215 -2(8) . . . . ?
N39 B1 N1 K2 -139(2) . . . . ?
N39 B1 N1 C11 -34(3) . . . . ?
N39 B1 N1 C12 130(3) . . . . ?
N39 C197 C206 C207 -6(5) . . . . ?
N39 C197 C206 C209 -173(4) . . . . ?
C197 N3 C10 K1 -86(5) . . . . ?
C197 N3 C10 N2 6(6) . . . . ?
C197 N3 C10 C15 161(5) . . . . ?
C197 N39 C208 N4 160(4) . . . . ?
C197 N39 C208 C207 -9(6) . . . . ?
C197 C206 C207 C208 2(6) . . . . ?
C197 C206 C207 C210 -174(4) . . . . ?
C197 C206 C209 C212 175(4) . . . . ?
C206 C207 C208 N4 -162(5) . . . . ?
C206 C207 C208 N39 5(6) . . . . ?
C206 C207 C210 C211 4(7) . . . . ?
C206 C209 C212 C211 -4(7) . . . . ?
C207 C206 C209 C212 8(7) . . . . ?
C207 C210 C211 C212 0(7) . . . . ?
C208 N4 C11 K2 109(2) . . . . ?
C208 N4 C11 C16 -144(3) . . . . ?
C208 N4 C11 N1 15(3) . . . . ?
C208 N39 C197 N3 -134(5) . . . . ?
C208 N39 C197 C206 9(5) . . . . ?
C208 C207 C210 C211 -172(5) . . . . ?
C209 C206 C207 C208 169(4) . . . . ?
C209 C206 C207 C210 -8(7) . . . . ?
C210 C207 C208 N4 14(8) . . . . ?
C210 C207 C208 N39 -179(4) . . . . ?
C210 C211 C212 C209 1(7) . . . . ?
N35 C198 C199 C200 158(9) . . . . ?
N35 C198 C199 C202 -20(19) . . . . ?
N36 C198 C199 C200 -9(11) . . . . ?
N36 C198 C199 C202 172(10) . . . . ?
C198 N36 C201 N15 159(7) . . . . ?
C198 N36 C201 C200 -19(9) . . . . ?
C198 N36 B3 N5 96(12) . . . . ?
C198 N36 B3 N9 -21(12) . . . . ?
C198 N36 B3 N10 -128(11) . . . . ?
C198 C199 C200 C201 -4(9) . . . . ?
C198 C199 C200 C205 -172(8) . . . . ?
C198 C199 C202 C203 179(11) . . . . ?
C199 C200 C201 N15 -164(6) . . . . ?
C199 C200 C201 N36 14(8) . . . . ?
C199 C200 C205 C204 -8(11) . . . . ?
C199 C202 C203 C204 -6(12) . . . . ?
C200 C199 C202 C203 0(11) . . . . ?
C201 N15 C55 K2 114(3) . . . . ?
C201 N15 C55 N10 24(4) . . . . ?
C201 N15 C55 C60 -138(3) . . . . ?
C201 N36 C198 N35 -151(8) . . . . ?
C201 N36 C198 C199 17(11) . . . . ?
C201 N36 B3 N5 -107(5) . . . . ?
C201 N36 B3 N9 137(5) . . . . ?
C201 N36 B3 N10 29(6) . . . . ?
C201 C200 C205 C204 -173(7) . . . . ?
C202 C199 C200 C201 175(7) . . . . ?
C202 C199 C200 C205 7(11) . . . . ?
C202 C203 C204 C205 4(10) . . . . ?
C203 C204 C205 C200 3(10) . . . . ?
C205 C200 C201 N15 3(13) . . . . ?
C205 C200 C201 N36 -179(8) . . . . ?
N1 B1 N39 C197 -140(4) . . . . ?
N1 B1 N39 C208 38(5) . . . . ?
N1 C11 C16 K2 64.0(12) . . . . ?
N1 C11 C16 C17 -4(2) . . . . ?
N1 C11 C16 C22 -176.7(19) . . . . ?
N1 C12 C17 K2 -77.2(12) . . . . ?
N1 C12 C17 C16 0(2) . . . . ?
N1 C12 C17 C25 -179(2) . . . . ?
B2 N7 C26 K1 -117.4(16) . . . . ?
B2 N7 C26 N6 -8(3) . . . . ?
B2 N7 C26 C40 177(2) . . . . ?
B2 N7 C26 C218 150(3) . . . . ?
B2 N7 C42 K1 122.4(18) . . . . ?
B2 N7 C42 C41 -175(2) . . . . ?
B2 N7 C42 N40 -10(3) . . . . ?
B2 N7 C42 C213 -147(3) . . . . ?
B2 N8 C27 K2 119.8(17) . . . . ?
B2 N8 C27 N6 5(3) . . . . ?
B2 N8 C27 C33 -167.1(18) . . . . ?
B2 N8 C34 K2 -124.1(17) . . . . ?
B2 N8 C34 C35 167.6(17) . . . . ?
B2 N8 C34 N14 1(3) . . . . ?
B2 N8 C34 N37 11(5) . . . . ?
B2 N11 C28 K1 -34(2) . . . . ?
B2 N11 C28 N9 -128(2) . . . . ?
B2 N11 C28 C30 62(3) . . . . ?
B2 N11 C29 K2 39(2) . . . . ?
B2 N11 C29 N10 122.6(19) . . . . ?
B2 N11 C29 C59 -70(3) . . . . ?
B2 N12 C50 N14 -10(7) . . . . ?
B2 N12 C50 C49 177(3) . . . . ?
B2 N38 C219 N37 -25(14) . . . . ?
B2 N38 C219 C221 179(7) . . . . ?
B3 N5 C12 K2 36(2) . . . . ?
B3 N5 C12 C17 -61(3) . . . . ?
B3 N5 C12 N1 129(2) . . . . ?
B3 N5 C13 K1 -41(2) . . . . ?
B3 N5 C13 N2 -127(2) . . . . ?
B3 N5 C13 C14 63(3) . . . . ?
B3 N9 C28 K1 -115.7(18) . . . . ?
B3 N9 C28 N11 -1(3) . . . . ?
B3 N9 C28 C30 170.8(19) . . . . ?
B3 N9 C32 K1 125.0(18) . . . . ?
B3 N9 C32 C31 -173.5(19) . . . . ?
B3 N9 C32 N16 -11(3) . . . . ?
B3 N9 C32 N35 0(6) . . . . ?
B3 N10 C29 K2 122.4(17) . . . . ?
B3 N10 C29 N11 12(3) . . . . ?
B3 N10 C29 C59 -158.3(18) . . . . ?
B3 N10 C55 K2 -125.4(18) . . . . ?
B3 N10 C55 N15 -3(3) . . . . ?
B3 N10 C55 C60 161.1(18) . . . . ?
B3 N30 C54 N15 -16(5) . . . . ?
B3 N30 C54 C58 179(3) . . . . ?
B3 N30 C56 N16 13(6) . . . . ?
B3 N30 C56 C57 -179(3) . . . . ?
B3 N36 C198 N35 8(17) . . . . ?
B3 N36 C198 C199 176(8) . . . . ?
B3 N36 C201 N15 -8(9) . . . . ?
B3 N36 C201 C200 174(6) . . . . ?
B4 N17 C88 N18 -15(3) . . . . ?
B4 N17 C88 C87 179.0(18) . . . . ?
B4 N17 C89 N21 10(4) . . . . ?
B4 N17 C89 C82 179.8(19) . . . . ?
B4 N19 C90 K3 -124.9(19) . . . . ?
B4 N19 C90 N18 6(3) . . . . ?
B4 N19 C90 C92 170.2(19) . . . . ?
B4 N19 C94 K3 116.5(17) . . . . ?
B4 N19 C94 N22 4(3) . . . . ?
B4 N19 C94 C93 -168.4(19) . . . . ?
B4 N20 C91 K4 123(2) . . . . ?
B4 N20 C91 N21 -11(3) . . . . ?
B4 N20 C91 C97 -164(2) . . . . ?
B4 N20 C95 K4 -120.2(19) . . . . ?
B4 N20 C95 N22 -8(3) . . . . ?
B4 N20 C95 C96 164(2) . . . . ?
B4 N23 C106 K4 -43(2) . . . . ?
B4 N23 C106 N24 -126(2) . . . . ?
B4 N23 C106 C116 72(4) . . . . ?
B4 N23 C106 C229 43(6) . . . . ?
B4 N23 C107 K3 38(2) . . . . ?
B4 N23 C107 N25 130(2) . . . . ?
B4 N23 C107 C128 -62(3) . . . . ?
B5 N24 C106 K4 -119.3(18) . . . . ?
B5 N24 C106 N23 -11(3) . . . . ?
B5 N24 C106 C116 155(2) . . . . ?
B5 N24 C106 C229 177(4) . . . . ?
B5 N24 C122 K4 123.6(19) . . . . ?
B5 N24 C122 N33 -3(3) . . . . ?
B5 N24 C122 C121 -154(2) . . . . ?
B5 N24 C122 C234 -177(4) . . . . ?
B5 N25 C107 K3 118.0(16) . . . . ?
B5 N25 C107 N23 2(3) . . . . ?
B5 N25 C107 C128 -168.4(17) . . . . ?
B5 N25 C124 K3 -123.2(17) . . . . ?
B5 N25 C124 N32 9(3) . . . . ?
B5 N25 C124 C129 169.2(17) . . . . ?
B5 N27 C108 K3 43(2) . . . . ?
B5 N27 C108 N26 124.7(19) . . . . ?
B5 N27 C108 C112 -68(3) . . . . ?
B5 N27 C109 K4 -35(3) . . . . ?
B5 N27 C109 N41 -130(2) . . . . ?
B5 N27 C109 C138 63(4) . . . . ?
B5 N31 C123 N32 -15(3) . . . . ?
B5 N31 C123 C127 176.2(16) . . . . ?
B5 N31 C125 N33 20(3) . . . . ?
B5 N31 C125 C126 -177.2(17) . . . . ?
B7 N22 C94 K3 37(2) . . . . ?
B7 N22 C94 N19 128(2) . . . . ?
B7 N22 C94 C93 -62(3) . . . . ?
B7 N22 C95 K4 -38(3) . . . . ?
B7 N22 C95 N20 -127(2) . . . . ?
B7 N22 C95 C96 64(4) . . . . ?
B7 N26 C108 K3 122.8(17) . . . . ?
B7 N26 C108 N27 12(3) . . . . ?
B7 N26 C108 C112 -158.4(18) . . . . ?
B7 N26 C110 K3 -125(2) . . . . ?
B7 N26 C110 N29 4(3) . . . . ?
B7 N26 C110 C111 159(2) . . . . ?
B7 N28 C113 N29 -6(4) . . . . ?
B7 N28 C113 C150 -179.3(19) . . . . ?
B7 N28 C149 N34 9(4) . . . . ?
B7 N28 C149 C151 176.3(19) . . . . ?
B7 N41 C109 K4 -118.7(18) . . . . ?
B7 N41 C109 N27 -3(3) . . . . ?
B7 N41 C109 C138 168(2) . . . . ?
B7 N41 C144 K4 129(2) . . . . ?
B7 N41 C144 N34 -6(3) . . . . ?
B7 N41 C144 C143 -168(2) . . . . ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.50(4)
2 0.50(4)
