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

data_19'
_audit_block_doi                 10.5517/ccdc.csd.cc25rh3k
_database_code_depnum_ccdc_archive 'CCDC 2018568'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1002/chem.202003559 2020
loop_
_audit_author_name
_audit_author_address
'Barbara Wicher'
;Poznan Univeristy of Medical Sciences
Poland
;
_audit_update_record             
;
2020-07-23 deposited with the CCDC.	2021-01-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C256 H260 N35 O38, C6 H5 Cl, 7(C H2 Cl2)'
_chemical_formula_sum            'C269 H279 Cl15 N35 O38'
_chemical_formula_weight         5142.01

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   28.242(7)
_cell_length_b                   32.207(7)
_cell_length_c                   33.646(9)
_cell_angle_alpha                90
_cell_angle_beta                 114.173(6)
_cell_angle_gamma                90
_cell_volume                     27921(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    386(2)
_cell_measurement_reflns_used    51230
_cell_measurement_theta_min      1.98
_cell_measurement_theta_max      65.08

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_F_000             10788
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    1.942
_shelx_estimated_absorpt_T_min   0.697
_shelx_estimated_absorpt_T_max   0.876
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.770
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      386(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Microfocus rotating Cu anode Rigaku FRX 3kW'
_diffrn_measurement_method       ω-scans
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            163848
_diffrn_reflns_av_unetI/netI     0.0573
_diffrn_reflns_av_R_equivalents  0.0850
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         1.988
_diffrn_reflns_theta_max         65.084
_diffrn_reflns_theta_full        65.084
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_point_group_measured_fraction_full 0.972
_reflns_number_total             46303
_reflns_number_gt                33497
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrystalClear 2.1 b32, Rigaku 2014'
_computing_cell_refinement       'CrystalClear 2.1 b32, Rigaku 2014'
_computing_data_reduction        'CrystalClear 2.1 b32, Rigaku 2014'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00013(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         46303
_refine_ls_number_parameters     3086
_refine_ls_number_restraints     112
_refine_ls_R_factor_all          0.1568
_refine_ls_R_factor_gt           0.1357
_refine_ls_wR_factor_ref         0.4196
_refine_ls_wR_factor_gt          0.3896
_refine_ls_goodness_of_fit_ref   1.667
_refine_ls_restrained_S_all      1.669
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Cl1 Cl 0.0869(3) 0.5592(3) 0.1532(2) 0.149(3) Uani 0.475(12) 1 d . . P A 1
Cl1A Cl 0.0571(4) 0.5316(3) 0.1514(3) 0.193(4) Uani 0.525(12) 1 d D . P A 2
C1R' C 0.1416(5) 0.5542(3) 0.1353(5) 0.138(3) Uiso 0.525(12) 1 d DG . P A 2
H1R' H 0.127947 0.580951 0.130111 0.165 Uiso 0.525(12) 1 calc R U P A 2
C2R' C 0.1151(5) 0.5226(4) 0.1456(5) 0.138(3) Uiso 0.525(12) 1 d DG . P A 2
C3R' C 0.1355(5) 0.4827(4) 0.1534(6) 0.138(3) Uiso 0.525(12) 1 d DG . P A 2
H3R' H 0.117739 0.461535 0.160303 0.165 Uiso 0.525(12) 1 calc R U P A 2
C4R' C 0.1824(5) 0.4743(4) 0.1508(6) 0.138(3) Uiso 0.525(12) 1 d G . P A 2
H4R' H 0.196082 0.447618 0.155960 0.165 Uiso 0.525(12) 1 calc R U P A 2
C5R' C 0.2090(4) 0.5059(5) 0.1404(6) 0.138(3) Uiso 0.525(12) 1 d G . P A 2
H5R' H 0.240357 0.500366 0.138691 0.165 Uiso 0.525(12) 1 calc R U P A 2
C6R' C 0.1885(5) 0.5459(4) 0.1327(5) 0.138(3) Uiso 0.525(12) 1 d G . P A 2
H6R' H 0.206291 0.567033 0.125767 0.165 Uiso 0.525(12) 1 calc R U P A 2
C2R C 0.1461(4) 0.4929(3) 0.1551(4) 0.086(4) Uiso 0.475(12) 1 d G . P A 1
H2R H 0.125447 0.477335 0.165105 0.103 Uiso 0.475(12) 1 calc R U P A 1
C3R C 0.1856(4) 0.47387(18) 0.1473(4) 0.085(4) Uiso 0.475(12) 1 d G . P A 1
H3R H 0.191448 0.445519 0.152119 0.102 Uiso 0.475(12) 1 calc R U P A 1
C4R C 0.2165(3) 0.4972(2) 0.1324(3) 0.068(3) Uiso 0.475(12) 1 d G . P A 1
H4R H 0.242919 0.484423 0.127219 0.082 Uiso 0.475(12) 1 calc R U P A 1
C5R C 0.2078(3) 0.5395(2) 0.1253(3) 0.068(3) Uiso 0.475(12) 1 d G . P A 1
H5R H 0.228390 0.555144 0.115305 0.081 Uiso 0.475(12) 1 calc R U P A 1
C6R C 0.1682(4) 0.55861(18) 0.1331(3) 0.068(3) Uiso 0.475(12) 1 d G . P A 1
H6R H 0.162389 0.586961 0.128291 0.081 Uiso 0.475(12) 1 calc R U P A 1
C1R C 0.1374(3) 0.5353(3) 0.1480(3) 0.081(4) Uiso 0.475(12) 1 d G . P A 1
Cl2B Cl 0.6850(6) 0.4638(2) 0.2310(4) 0.250(7) Uani 0.570(16) 1 d D . P B 2
Cl11 Cl 0.68559(12) 0.48561(6) 0.31433(11) 0.1492(10) Uani 1 1 d D . . . .
Cl12 Cl 0.7089(3) 0.4505(5) 0.2472(2) 0.199(6) Uani 0.430(16) 1 d D . P B 1
C5S C 0.6652(3) 0.4493(2) 0.27196(19) 0.154(4) Uani 1 1 d D . . . .
H5SC H 0.627679 0.447037 0.259748 0.185 Uiso 0.570(16) 1 calc R U P B 2
H5SD H 0.679626 0.422285 0.283351 0.185 Uiso 0.570(16) 1 calc R U P B 2
H5SA H 0.664419 0.421744 0.283345 0.185 Uiso 0.430(16) 1 calc R U P B 1
H5SB H 0.630555 0.456062 0.250843 0.185 Uiso 0.430(16) 1 calc R U P B 1
Cl5 Cl 0.17765(13) 0.03774(6) 0.13325(8) 0.1470(10) Uani 1 1 d . . . . .
Cl6 Cl 0.1445(3) -0.00195(12) 0.1863(3) 0.153(3) Uani 0.537(7) 1 d . . P C 2
Cl6' Cl 0.1877(7) -0.0015(2) 0.2210(4) 0.213(6) Uani 0.463(7) 1 d . . P C 1
C2S C 0.1889(3) 0.0363(2) 0.1869(3) 0.124(3) Uani 1 1 d . . . . .
H2SC H 0.181500 0.062821 0.196789 0.148 Uiso 0.537(7) 1 calc R U P C 2
H2SD H 0.224338 0.028246 0.204929 0.148 Uiso 0.537(7) 1 calc R U P C 2
H2SA H 0.223365 0.048093 0.201372 0.148 Uiso 0.463(7) 1 calc R U P C 1
H2SB H 0.165497 0.057174 0.189387 0.148 Uiso 0.463(7) 1 calc R U P C 1
Cl7 Cl 0.45123(12) 0.05745(7) 0.22020(10) 0.1376(8) Uani 1 1 d . . . . .
Cl8 Cl 0.47255(19) 0.01421(8) 0.29917(10) 0.1844(16) Uani 1 1 d . . . . .
C3S C 0.4563(4) 0.0596(3) 0.2738(4) 0.131(3) Uani 1 1 d . . . . .
H3SA H 0.482147 0.080174 0.289887 0.157 Uiso 1 1 calc R U . . .
H3SB H 0.423283 0.068486 0.273460 0.157 Uiso 1 1 calc R U . . .
Cl9 Cl 0.64004(16) 0.11040(10) 0.55453(13) 0.1760(14) Uani 1 1 d . . . . .
Cl10 Cl 0.68168(16) 0.16645(18) 0.62807(9) 0.218(2) Uani 1 1 d . . . . .
C4S C 0.6477(3) 0.1624(3) 0.5731(2) 0.107(2) Uani 1 1 d . . . . .
H4SA H 0.665519 0.178023 0.558705 0.128 Uiso 1 1 calc R U . . .
H4SB H 0.613667 0.174799 0.565055 0.128 Uiso 1 1 calc R U . . .
Cl13 Cl 0.36524(11) 0.50651(7) 0.21069(9) 0.1439(9) Uani 1 1 d D . . . .
Cl14 Cl 0.43282(10) 0.51889(7) 0.30229(9) 0.1294(7) Uani 1 1 d D . . . .
C6S C 0.42474(19) 0.4946(2) 0.25344(10) 0.137(3) Uani 1 1 d D . . . .
H6SA H 0.427148 0.464753 0.257821 0.164 Uiso 1 1 calc R U . . .
H6SB H 0.452651 0.503035 0.245455 0.164 Uiso 1 1 calc R U . . .
Cl17 Cl 0.1025(2) 0.15121(19) 0.44113(17) 0.139(2) Uani 0.463(7) 1 d D . P C 1
Cl18 Cl 0.1205(7) 0.0905(3) 0.3924(5) 0.176(5) Uani 0.463(7) 1 d D . P C 1
Cl19 Cl 0.1502(2) 0.1923(3) 0.44607(17) 0.238(5) Uani 0.537(7) 1 d D . P C 2
Cl20 Cl 0.1280(5) 0.1100(3) 0.4050(5) 0.203(5) Uani 0.537(7) 1 d D . P C 2
C8S C 0.1065(5) 0.1609(3) 0.4050(5) 0.138(6) Uiso 0.537(7) 1 d D . P C 2
H8SC H 0.099844 0.173488 0.376960 0.165 Uiso 0.537(7) 1 calc R U P C 2
H8SD H 0.073940 0.160183 0.408179 0.165 Uiso 0.537(7) 1 calc R U P C 2
C8S' C 0.1190(6) 0.1445(3) 0.3968(3) 0.089(4) Uiso 0.463(7) 1 d D . P C 1
H8SA H 0.152648 0.156664 0.402477 0.107 Uiso 0.463(7) 1 calc R U P C 1
H8SB H 0.093164 0.156769 0.370508 0.107 Uiso 0.463(7) 1 calc R U P C 1
Cl21 Cl 0.3939(2) 0.11254(17) 0.49026(18) 0.234(2) Uani 1 1 d . . . . .
Cl22 Cl 0.4071(4) 0.1849(3) 0.5427(2) 0.327(4) Uani 1 1 d . . . . .
C9S C 0.3920(5) 0.1643(4) 0.4933(4) 0.156(4) Uiso 1 1 d . . . . .
H9SA H 0.357229 0.173345 0.474458 0.187 Uiso 1 1 calc R U . . .
H9SB H 0.415455 0.175763 0.481735 0.187 Uiso 1 1 calc R U . . .
O1A O -0.09432(14) 0.33381(11) 0.09817(12) 0.0687(9) Uani 1 1 d . . . . .
O1C O 0.84317(14) 0.20764(9) 0.38521(11) 0.0606(8) Uani 1 1 d . . . . .
O1D O -0.06347(17) 0.11122(11) 0.16028(12) 0.0784(10) Uani 1 1 d . . . . .
O2A O -0.11098(15) 0.28034(11) 0.12825(11) 0.0714(9) Uani 1 1 d . . . . .
O2C O 0.85190(14) 0.21125(10) 0.32223(10) 0.0630(8) Uani 1 1 d . . . . .
O2D O -0.01169(18) 0.34838(12) 0.27175(12) 0.0813(11) Uani 1 1 d . . . . .
O3D O 0.03535(14) 0.24665(12) 0.06413(10) 0.0667(9) Uani 1 1 d . . . . .
O4D O 0.10468(15) 0.20361(11) 0.32381(11) 0.0689(9) Uani 1 1 d . . . . .
O5D O 0.15259(14) 0.37830(9) 0.16256(11) 0.0611(8) Uani 1 1 d . . . . .
O6D O 0.19949(13) 0.12656(9) 0.22073(11) 0.0580(7) Uani 1 1 d . . . . .
O7D O 0.26853(13) 0.35675(10) 0.34001(10) 0.0594(8) Uani 1 1 d . . . . .
O8D O 0.30275(13) 0.21487(10) 0.14729(10) 0.0597(8) Uani 1 1 d . . . . .
O9D O 0.41575(13) 0.40066(9) 0.27025(10) 0.0559(7) Uani 1 1 d . . . . .
O10D O 0.46307(13) 0.14729(9) 0.31033(11) 0.0615(8) Uani 1 1 d . . . . .
O11D O 0.53511(12) 0.37395(9) 0.43579(10) 0.0551(7) Uani 1 1 d . . . . .
O12D O 0.56582(13) 0.24535(11) 0.23180(10) 0.0620(8) Uani 1 1 d . . . . .
O13D O 0.63808(14) 0.21272(13) 0.49472(11) 0.0707(9) Uani 1 1 d . . . . .
O14D O 0.68046(14) 0.36671(10) 0.31697(12) 0.0665(8) Uani 1 1 d . . . . .
O15D O 0.73587(14) 0.12502(9) 0.41171(11) 0.0637(8) Uani 1 1 d . . . . .
O16D O 0.79796(12) 0.36984(9) 0.49372(9) 0.0545(7) Uani 1 1 d . . . . .
N1A N -0.10031(14) 0.29650(12) 0.10026(12) 0.0542(9) Uani 1 1 d . . . . .
N1B N 0.34611(13) 0.19055(10) 0.30286(11) 0.0461(8) Uani 1 1 d . . . . .
N1C N 0.44350(13) 0.25031(10) 0.27204(11) 0.0447(7) Uani 1 1 d . . . . .
N1D N -0.04693(16) 0.17651(12) 0.18970(12) 0.0582(9) Uani 1 1 d . . . . .
H1D H -0.044847 0.201948 0.182810 0.070 Uiso 1 1 calc R U . . .
N2A N -0.07459(13) 0.20891(12) 0.11169(11) 0.0492(8) Uani 1 1 d . . . . .
N2B N 0.40216(13) 0.33050(10) 0.34514(11) 0.0444(7) Uani 1 1 d . . . . .
N2C N 0.51201(12) 0.26918(10) 0.40488(10) 0.0446(7) Uani 1 1 d . . . . .
N2D N 0.00094(14) 0.31902(11) 0.21576(11) 0.0506(8) Uani 1 1 d . . . . .
H2D H 0.002832 0.295571 0.204270 0.061 Uiso 1 1 calc R U . . .
N3A N -0.02281(14) 0.24239(12) 0.24215(11) 0.0534(9) Uani 1 1 d . . . . .
N3C N 0.55502(12) 0.31584(10) 0.30825(10) 0.0423(7) Uani 1 1 d . . . . .
N3D N 0.05061(13) 0.23151(11) 0.13446(11) 0.0496(8) Uani 1 1 d . . . . .
H3D H 0.054851 0.243655 0.158447 0.060 Uiso 1 1 calc R U . . .
N4A N 0.02307(14) 0.30748(11) 0.14625(11) 0.0489(8) Uani 1 1 d . . . . .
N4C N 0.60947(13) 0.20446(10) 0.38317(11) 0.0473(8) Uani 1 1 d . . . . .
N4D N 0.11307(15) 0.25288(10) 0.27834(12) 0.0508(8) Uani 1 1 d . . . . .
H4D H 0.113656 0.255664 0.253122 0.061 Uiso 1 1 calc R U . . .
N5A N 0.07963(13) 0.19961(11) 0.21292(12) 0.0488(8) Uani 1 1 d . . . . .
N5C N 0.66724(13) 0.32021(11) 0.40633(12) 0.0516(8) Uani 1 1 d . . . . .
N5D N 0.16170(13) 0.30882(10) 0.17697(11) 0.0453(7) Uani 1 1 d . . . . .
H5D H 0.165503 0.291117 0.197185 0.054 Uiso 1 1 calc R U . . .
N6A N 0.13732(13) 0.32001(10) 0.24514(10) 0.0448(7) Uani 1 1 d . . . . .
N6C N 0.71621(13) 0.21959(10) 0.35416(11) 0.0457(8) Uani 1 1 d . . . . .
N6D N 0.21368(13) 0.18952(10) 0.25427(11) 0.0474(8) Uani 1 1 d . . . . .
H6D H 0.215330 0.215488 0.249027 0.057 Uiso 1 1 calc R U . . .
N7A N 0.18225(13) 0.22777(10) 0.17773(10) 0.0429(7) Uani 1 1 d . . . . .
N7C N 0.77440(13) 0.26212(11) 0.48029(11) 0.0461(8) Uani 1 1 d . . . . .
N7D N 0.27497(13) 0.31973(10) 0.28459(11) 0.0461(8) Uani 1 1 d . . . . .
H7D H 0.275429 0.294493 0.276402 0.055 Uiso 1 1 calc R U . . .
N8A N 0.24448(14) 0.25148(10) 0.31115(11) 0.0466(8) Uani 1 1 d . . . . .
N8C N 0.82506(14) 0.29145(10) 0.38137(11) 0.0472(8) Uani 1 1 d . . . . .
N8D N 0.31884(14) 0.21199(10) 0.22001(11) 0.0469(8) Uani 1 1 d . . . . .
H8D H 0.324704 0.227956 0.242014 0.056 Uiso 1 1 calc R U . . .
N9A N 0.29474(13) 0.29223(10) 0.21882(11) 0.0438(7) Uani 1 1 d . . . . .
N9D N 0.42187(13) 0.32925(10) 0.27584(11) 0.0444(7) Uani 1 1 d . . . . .
H9D H 0.423669 0.309446 0.293540 0.053 Uiso 1 1 calc R U . . .
N10D N 0.47949(14) 0.20912(11) 0.34721(11) 0.0494(8) Uani 1 1 d . . . . .
H10D H 0.483067 0.235159 0.343466 0.059 Uiso 1 1 calc R U . . .
N11D N 0.53724(13) 0.33907(10) 0.37722(10) 0.0429(7) Uani 1 1 d . . . . .
H11D H 0.535862 0.314320 0.367208 0.051 Uiso 1 1 calc R U . . .
N12D N 0.57932(14) 0.23489(10) 0.30291(11) 0.0468(8) Uani 1 1 d . . . . .
H12D H 0.582830 0.248196 0.326111 0.056 Uiso 1 1 calc R U . . .
N13D N 0.64420(14) 0.25863(12) 0.44576(12) 0.0546(9) Uani 1 1 d . . . . .
H13D H 0.642693 0.259528 0.419724 0.065 Uiso 1 1 calc R U . . .
N14D N 0.69242(14) 0.29988(10) 0.34079(12) 0.0491(8) Uani 1 1 d . . . . .
H14D H 0.695139 0.284914 0.362787 0.059 Uiso 1 1 calc R U . . .
N15D N 0.74912(15) 0.19231(11) 0.43529(12) 0.0540(9) Uani 1 1 d . . . . .
H15D H 0.752193 0.216789 0.426414 0.065 Uiso 1 1 calc R U . . .
N16D N 0.79946(13) 0.32562(11) 0.44170(10) 0.0464(8) Uani 1 1 d . . . . .
H16D H 0.797818 0.299692 0.435144 0.056 Uiso 1 1 calc R U . . .
C1A C -0.09496(16) 0.27036(14) 0.06634(14) 0.0499(10) Uani 1 1 d . . . . .
C1B C 0.32309(16) 0.16963(12) 0.22909(14) 0.0484(9) Uani 1 1 d . . . . .
C1C C 0.42558(15) 0.31708(13) 0.23813(13) 0.0458(9) Uani 1 1 d . . . . .
C1D C -0.06001(19) 0.14842(16) 0.15668(15) 0.0594(11) Uani 1 1 d . . . . .
C2A C -0.10426(19) 0.28892(15) 0.02792(15) 0.0574(11) Uani 1 1 d . . . . .
H2A H -0.111012 0.317272 0.024762 0.069 Uiso 1 1 calc R U . . .
C2B C 0.31496(18) 0.13876(14) 0.19833(16) 0.0574(11) Uani 1 1 d . . . . .
H2B H 0.309452 0.145682 0.169939 0.069 Uiso 1 1 calc R U . . .
C2C C 0.42119(18) 0.34232(15) 0.20371(14) 0.0540(10) Uani 1 1 d . . . . .
H2C H 0.417862 0.370913 0.205479 0.065 Uiso 1 1 calc R U . . .
C2D C -0.0081(2) 0.31732(16) 0.25198(15) 0.0606(12) Uani 1 1 d . . . . .
C3A C -0.10384(18) 0.26589(15) -0.00731(15) 0.0571(11) Uani 1 1 d . . . . .
H3A H -0.110003 0.279144 -0.033525 0.068 Uiso 1 1 calc R U . . .
C3B C 0.3151(2) 0.09722(15) 0.21016(18) 0.0649(13) Uani 1 1 d . . . . .
H3B H 0.308424 0.076742 0.189055 0.078 Uiso 1 1 calc R U . . .
C3C C 0.42180(19) 0.32426(17) 0.16589(15) 0.0594(11) Uani 1 1 d . . . . .
H3C H 0.418468 0.341520 0.142733 0.071 Uiso 1 1 calc R U . . .
C3D C 0.03892(16) 0.25676(15) 0.10005(14) 0.0528(10) Uani 1 1 d . . . . .
C4A C -0.09465(18) 0.22500(15) -0.00351(14) 0.0547(10) Uani 1 1 d . . . . .
H4A H -0.094819 0.210070 -0.027221 0.066 Uiso 1 1 calc R U . . .
C4B C 0.3247(2) 0.08583(14) 0.25172(18) 0.0632(12) Uani 1 1 d . . . . .
H4B H 0.324405 0.057877 0.258551 0.076 Uiso 1 1 calc R U . . .
C4C C 0.42690(19) 0.28379(17) 0.16169(15) 0.0613(12) Uani 1 1 d . . . . .
H4C H 0.426085 0.273212 0.135694 0.074 Uiso 1 1 calc R U . . .
C4D C 0.10297(17) 0.21393(14) 0.28840(14) 0.0517(10) Uani 1 1 d . . . . .
C5A C -0.08457(17) 0.20399(14) 0.03663(14) 0.0501(10) Uani 1 1 d . . . . .
C5B C 0.33503(18) 0.11613(13) 0.28449(16) 0.0551(10) Uani 1 1 d . . . . .
C5C C 0.43361(17) 0.25660(15) 0.19670(14) 0.0518(10) Uani 1 1 d . . . . .
C5D C 0.15436(16) 0.34886(13) 0.18603(14) 0.0486(9) Uani 1 1 d . . . . .
C6A C -0.07803(18) 0.16026(14) 0.04105(15) 0.0536(10) Uani 1 1 d . . . . .
C6B C 0.34539(17) 0.10746(14) 0.32832(17) 0.0585(11) Uani 1 1 d . . . . .
C6C C 0.4399(2) 0.21291(16) 0.19582(16) 0.0617(12) Uani 1 1 d . . . . .
C6D C 0.20160(15) 0.16447(13) 0.21991(14) 0.0472(9) Uani 1 1 d . . . . .
C7A C -0.07339(17) 0.14195(15) 0.07931(15) 0.0545(10) Uani 1 1 d . . . . .
H7A H -0.072207 0.113236 0.082515 0.065 Uiso 1 1 calc R U . . .
C7B C 0.35678(18) 0.13954(14) 0.35754(16) 0.0576(11) Uani 1 1 d . . . . .
H7B H 0.364459 0.134241 0.386703 0.069 Uiso 1 1 calc R U . . .
C7C C 0.44815(18) 0.18987(15) 0.23229(15) 0.0558(11) Uani 1 1 d . . . . .
H7C H 0.451895 0.161206 0.231947 0.067 Uiso 1 1 calc R U . . .
C7D C 0.26722(16) 0.32416(14) 0.32131(13) 0.0493(10) Uani 1 1 d . . . . .
C8A C -0.07053(16) 0.16811(15) 0.11304(14) 0.0521(10) Uani 1 1 d . . . . .
C8B C 0.35678(15) 0.18052(12) 0.34312(14) 0.0468(9) Uani 1 1 d . . . . .
C8C C 0.45091(16) 0.20999(13) 0.27019(14) 0.0482(9) Uani 1 1 d . . . . .
C8D C 0.30691(15) 0.23152(13) 0.18182(13) 0.0442(9) Uani 1 1 d . . . . .
C9A C -0.08426(16) 0.22695(14) 0.07266(13) 0.0487(9) Uani 1 1 d . . . . .
C9B C 0.33505(16) 0.15912(12) 0.27287(14) 0.0470(9) Uani 1 1 d . . . . .
C9C C 0.43399(15) 0.27363(13) 0.23572(13) 0.0464(9) Uani 1 1 d . . . . .
C9D C 0.41576(17) 0.36793(12) 0.28955(14) 0.0480(9) Uani 1 1 d . . . . .
C10A C -0.03665(18) 0.16922(15) 0.23266(16) 0.0584(11) Uani 1 1 d . . . . .
C10B C 0.37173(17) 0.21412(13) 0.37637(13) 0.0487(9) Uani 1 1 d . . . . .
H10B H 0.376844 0.207165 0.404660 0.058 Uiso 1 1 calc R U . . .
C10C C 0.49062(16) 0.19770(13) 0.38945(14) 0.0479(9) Uani 1 1 d . . . . .
C10D C 0.46362(17) 0.18557(13) 0.31021(15) 0.0513(10) Uani 1 1 d . . . . .
C11A C -0.0373(2) 0.12990(17) 0.24960(18) 0.0704(13) Uani 1 1 d . . . . .
H11A H -0.044193 0.106564 0.231835 0.084 Uiso 1 1 calc R U . . .
C11B C 0.37811(16) 0.25299(13) 0.36804(13) 0.0464(9) Uani 1 1 d . . . . .
H11B H 0.374964 0.258973 0.340022 0.056 Uiso 1 1 calc R U . . .
C11C C 0.48843(19) 0.15871(15) 0.40353(16) 0.0591(11) Uani 1 1 d . . . . .
H11C H 0.480258 0.136529 0.384163 0.071 Uiso 1 1 calc R U . . .
C11D C 0.53326(15) 0.34206(13) 0.41608(13) 0.0455(9) Uani 1 1 d . . . . .
C12A C -0.0272(3) 0.1259(2) 0.29420(19) 0.0843(17) Uani 1 1 d . . . . .
H12A H -0.026192 0.099570 0.305799 0.101 Uiso 1 1 calc R U . . .
C12B C 0.38976(16) 0.28816(13) 0.39861(13) 0.0471(9) Uani 1 1 d . . . . .
C12C C 0.4987(2) 0.15172(17) 0.44820(17) 0.0671(13) Uani 1 1 d . . . . .
H12C H 0.497716 0.124719 0.457640 0.080 Uiso 1 1 calc R U . . .
C12D C 0.56858(16) 0.25838(13) 0.26665(13) 0.0463(9) Uani 1 1 d . . . . .
C13A C -0.0191(2) 0.1592(2) 0.32026(18) 0.0826(17) Uani 1 1 d . . . . .
H13A H -0.013397 0.155789 0.349312 0.099 Uiso 1 1 calc R U . . .
C13B C 0.39128(18) 0.28526(16) 0.43950(15) 0.0571(11) Uani 1 1 d . . . . .
H13B H 0.386003 0.259475 0.449459 0.068 Uiso 1 1 calc R U . . .
C13C C 0.5098(2) 0.18313(16) 0.47713(17) 0.0653(12) Uani 1 1 d . . . . .
H13C H 0.514046 0.177970 0.505588 0.078 Uiso 1 1 calc R U . . .
C13D C 0.63579(16) 0.22119(15) 0.45908(15) 0.0541(10) Uani 1 1 d . . . . .
C14A C -0.0192(2) 0.19947(19) 0.30324(17) 0.0740(15) Uani 1 1 d . . . . .
C14B C 0.4004(2) 0.31944(16) 0.46691(16) 0.0642(12) Uani 1 1 d . . . . .
H14B H 0.401549 0.315995 0.494723 0.077 Uiso 1 1 calc R U . . .
C14C C 0.51489(19) 0.22380(15) 0.46397(15) 0.0568(11) Uani 1 1 d . . . . .
C14D C 0.68257(17) 0.34038(14) 0.34411(16) 0.0551(10) Uani 1 1 d . . . . .
C15A C -0.0117(2) 0.2363(2) 0.32955(17) 0.0785(16) Uani 1 1 d . . . . .
C15B C 0.40779(19) 0.35763(16) 0.45366(15) 0.0599(11) Uani 1 1 d . . . . .
H15B H 0.413849 0.380197 0.472356 0.072 Uiso 1 1 calc R U . . .
C15C C 0.52711(18) 0.25898(17) 0.49169(14) 0.0597(12) Uani 1 1 d . . . . .
C15D C 0.73697(18) 0.16243(13) 0.40494(14) 0.0522(10) Uani 1 1 d . . . . .
C16A C -0.0098(2) 0.27360(19) 0.31100(16) 0.0684(13) Uani 1 1 d . . . . .
H16A H -0.005366 0.297944 0.326993 0.082 Uiso 1 1 calc R U . . .
C16B C 0.40627(18) 0.36339(14) 0.41135(15) 0.0535(10) Uani 1 1 d . . . . .
C16C C 0.53066(17) 0.29749(16) 0.47594(14) 0.0539(10) Uani 1 1 d . . . . .
H16C H 0.537084 0.320996 0.493432 0.065 Uiso 1 1 calc R U . . .
C16D C 0.79525(14) 0.33473(13) 0.47902(12) 0.0445(9) Uani 1 1 d . . . . .
C17A C -0.01450(18) 0.27527(16) 0.26826(14) 0.0573(11) Uani 1 1 d . . . . .
C17B C 0.41316(18) 0.40238(14) 0.39491(15) 0.0567(11) Uani 1 1 d . . . . .
C17C C 0.52430(16) 0.30013(13) 0.43279(13) 0.0463(9) Uani 1 1 d . . . . .
C18A C -0.02690(17) 0.20454(15) 0.25971(15) 0.0560(11) Uani 1 1 d . . . . .
C18B C 0.41411(17) 0.40488(13) 0.35454(14) 0.0504(10) Uani 1 1 d . . . . .
H18B H 0.417135 0.430257 0.342599 0.060 Uiso 1 1 calc R U . . .
C18C C 0.50635(15) 0.23139(14) 0.42008(13) 0.0473(9) Uani 1 1 d . . . . .
C19A C 0.00763(18) 0.35442(14) 0.19461(14) 0.0534(10) Uani 1 1 d . . . . .
C19B C 0.41030(16) 0.36720(12) 0.33187(13) 0.0452(9) Uani 1 1 d . . . . .
C19C C 0.54324(14) 0.37076(12) 0.35149(13) 0.0427(8) Uani 1 1 d . . . . .
C20A C 0.0041(2) 0.39457(16) 0.20693(18) 0.0670(13) Uani 1 1 d . . . . .
H20A H -0.001607 0.399683 0.231797 0.080 Uiso 1 1 calc R U . . .
C20B C 0.39969(16) 0.32818(12) 0.38460(13) 0.0449(9) Uani 1 1 d . . . . .
C20C C 0.54082(18) 0.41187(12) 0.35892(16) 0.0528(10) Uani 1 1 d . . . . .
H20C H 0.537210 0.420687 0.383849 0.063 Uiso 1 1 calc R U . . .
C21A C 0.0093(2) 0.42819(17) 0.1819(2) 0.0749(14) Uani 1 1 d . . . . .
H21A H 0.007940 0.455175 0.191210 0.090 Uiso 1 1 calc R U . . .
C21C C 0.5437(2) 0.44113(14) 0.3293(2) 0.0683(13) Uani 1 1 d . . . . .
H21C H 0.542687 0.469228 0.335264 0.082 Uiso 1 1 calc R U . . .
C22A C 0.0160(2) 0.42224(16) 0.14499(19) 0.0693(13) Uani 1 1 d . . . . .
H22A H 0.017634 0.444920 0.128498 0.083 Uiso 1 1 calc R U . . .
C22C C 0.5480(2) 0.42976(14) 0.29214(18) 0.0660(13) Uani 1 1 d . . . . .
H22C H 0.548668 0.449869 0.272532 0.079 Uiso 1 1 calc R U . . .
C23A C 0.0206(2) 0.38173(16) 0.13130(16) 0.0611(12) Uani 1 1 d . . . . .
C23C C 0.55148(17) 0.38719(13) 0.28327(15) 0.0513(10) Uani 1 1 d . . . . .
C24A C 0.02737(18) 0.37294(16) 0.09291(15) 0.0589(11) Uani 1 1 d . . . . .
C24C C 0.55731(19) 0.37241(15) 0.24632(16) 0.0593(12) Uani 1 1 d . . . . .
C25A C 0.0323(2) 0.33273(18) 0.08249(15) 0.0644(13) Uani 1 1 d . . . . .
H25A H 0.036880 0.326429 0.057298 0.077 Uiso 1 1 calc R U . . .
C25C C 0.56160(18) 0.33104(15) 0.24067(14) 0.0546(10) Uani 1 1 d . . . . .
H25C H 0.564799 0.321026 0.215964 0.066 Uiso 1 1 calc R U . . .
C26A C 0.03050(17) 0.30093(15) 0.11052(13) 0.0535(10) Uani 1 1 d . . . . .
C26C C 0.56109(16) 0.30384(13) 0.27294(12) 0.0456(9) Uani 1 1 d . . . . .
C27A C 0.01704(16) 0.34704(14) 0.15622(13) 0.0496(9) Uani 1 1 d . . . . .
C27C C 0.55009(15) 0.35704(12) 0.31376(13) 0.0434(9) Uani 1 1 d . . . . .
C28A C 0.05693(16) 0.18850(15) 0.13721(15) 0.0546(11) Uani 1 1 d . . . . .
C28C C 0.58528(16) 0.19242(13) 0.30711(14) 0.0495(10) Uani 1 1 d . . . . .
C29A C 0.05208(17) 0.16300(16) 0.10274(17) 0.0609(12) Uani 1 1 d . . . . .
H29A H 0.046080 0.173941 0.075510 0.073 Uiso 1 1 calc R U . . .
C29C C 0.57872(19) 0.16514(15) 0.27363(17) 0.0608(12) Uani 1 1 d . . . . .
H29C H 0.570941 0.174924 0.245641 0.073 Uiso 1 1 calc R U . . .
C30A C 0.0566(2) 0.11955(17) 0.1103(2) 0.0732(15) Uani 1 1 d . . . . .
H30A H 0.052803 0.101971 0.087273 0.088 Uiso 1 1 calc R U . . .
C30C C 0.5840(2) 0.12235(16) 0.2825(2) 0.0707(15) Uani 1 1 d . . . . .
H30C H 0.580002 0.104282 0.259801 0.085 Uiso 1 1 calc R U . . .
C31A C 0.06608(19) 0.10265(16) 0.1497(2) 0.0714(15) Uani 1 1 d . . . . .
H31A H 0.068008 0.073961 0.153116 0.086 Uiso 1 1 calc R U . . .
C31C C 0.5944(2) 0.10617(16) 0.3219(2) 0.0725(14) Uani 1 1 d . . . . .
H31C H 0.596117 0.077543 0.325812 0.087 Uiso 1 1 calc R U . . .
C32A C 0.07309(18) 0.12858(14) 0.18552(18) 0.0604(12) Uani 1 1 d . . . . .
C32C C 0.60276(18) 0.13308(13) 0.35745(18) 0.0588(11) Uani 1 1 d . . . . .
C33A C 0.0843(2) 0.11343(14) 0.2280(2) 0.0671(13) Uani 1 1 d . . . . .
C33C C 0.6150(2) 0.11897(15) 0.3996(2) 0.0683(13) Uani 1 1 d . . . . .
C34A C 0.09273(19) 0.14131(15) 0.26137(18) 0.0613(11) Uani 1 1 d . . . . .
H34A H 0.099620 0.132087 0.289399 0.074 Uiso 1 1 calc R U . . .
C34C C 0.62495(19) 0.14821(15) 0.43353(18) 0.0619(12) Uani 1 1 d . . . . .
H34C H 0.632926 0.139772 0.461992 0.074 Uiso 1 1 calc R U . . .
C35A C 0.09071(17) 0.18370(13) 0.25203(16) 0.0527(10) Uani 1 1 d . . . . .
C35C C 0.62234(17) 0.18948(14) 0.42273(15) 0.0527(10) Uani 1 1 d . . . . .
C36A C 0.06976(17) 0.17188(13) 0.17926(16) 0.0530(10) Uani 1 1 d . . . . .
C36C C 0.59868(16) 0.17648(13) 0.35017(15) 0.0498(10) Uani 1 1 d . . . . .
C37A C 0.12267(16) 0.28914(13) 0.30354(13) 0.0488(9) Uani 1 1 d . . . . .
C37C C 0.65512(17) 0.29659(16) 0.46833(15) 0.0597(12) Uani 1 1 d . . . . .
C38A C 0.1204(2) 0.29180(16) 0.34316(15) 0.0623(12) Uani 1 1 d . . . . .
H38A H 0.115280 0.268037 0.356620 0.075 Uiso 1 1 calc R U . . .
C38C C 0.6556(2) 0.3031(2) 0.50893(17) 0.0747(15) Uani 1 1 d . . . . .
H38C H 0.651097 0.281299 0.525172 0.090 Uiso 1 1 calc R U . . .
C39A C 0.1257(2) 0.33028(18) 0.36333(18) 0.0758(15) Uani 1 1 d . . . . .
H39A H 0.124027 0.331793 0.390307 0.091 Uiso 1 1 calc R U . . .
C39C C 0.6632(2) 0.3450(2) 0.5253(2) 0.0798(17) Uani 1 1 d . . . . .
H39C H 0.664360 0.349725 0.552892 0.096 Uiso 1 1 calc R U . . .
C40A C 0.1334(3) 0.36584(17) 0.34481(18) 0.0765(15) Uani 1 1 d . . . . .
H40A H 0.136815 0.391216 0.358900 0.092 Uiso 1 1 calc R U . . .
C40C C 0.6689(2) 0.3774(2) 0.5028(2) 0.0817(18) Uani 1 1 d . . . . .
H40C H 0.672608 0.403991 0.514332 0.098 Uiso 1 1 calc R U . . .
C41A C 0.1362(2) 0.36353(15) 0.30398(16) 0.0601(11) Uani 1 1 d . . . . .
C41C C 0.66908(18) 0.37090(18) 0.46112(18) 0.0682(14) Uani 1 1 d . . . . .
C42A C 0.1452(2) 0.39922(14) 0.28227(17) 0.0628(12) Uani 1 1 d . . . . .
C42C C 0.6761(2) 0.40285(17) 0.4352(2) 0.0752(15) Uani 1 1 d . . . . .
C43A C 0.14919(18) 0.39399(13) 0.24351(15) 0.0544(10) Uani 1 1 d . . . . .
H43A H 0.153634 0.416802 0.228431 0.065 Uiso 1 1 calc R U . . .
C43C C 0.6783(2) 0.39303(15) 0.3961(2) 0.0674(13) Uani 1 1 d . . . . .
H43C H 0.681670 0.413712 0.378175 0.081 Uiso 1 1 calc R U . . .
C44A C 0.14656(16) 0.35422(12) 0.22687(13) 0.0459(9) Uani 1 1 d . . . . .
C44C C 0.67533(16) 0.35161(13) 0.38421(15) 0.0525(10) Uani 1 1 d . . . . .
C45A C 0.13301(17) 0.32513(13) 0.28372(14) 0.0501(9) Uani 1 1 d . . . . .
C45C C 0.66425(16) 0.32982(15) 0.44477(15) 0.0537(11) Uani 1 1 d . . . . .
C46A C 0.16389(16) 0.29264(12) 0.13943(12) 0.0447(9) Uani 1 1 d . . . . .
C46C C 0.69882(17) 0.27864(13) 0.30780(14) 0.0503(9) Uani 1 1 d . . . . .
C47A C 0.15689(18) 0.31535(14) 0.10279(14) 0.0534(10) Uani 1 1 d . . . . .
H47A H 0.153305 0.344057 0.102696 0.064 Uiso 1 1 calc R U . . .
C47C C 0.69553(18) 0.29637(15) 0.26888(15) 0.0571(11) Uani 1 1 d . . . . .
H47C H 0.690479 0.324814 0.264407 0.069 Uiso 1 1 calc R U . . .
C48A C 0.1552(2) 0.29443(16) 0.06531(15) 0.0648(12) Uani 1 1 d . . . . .
H48A H 0.150711 0.309937 0.040696 0.078 Uiso 1 1 calc R U . . .
C48C C 0.6998(2) 0.27126(16) 0.23673(16) 0.0627(12) Uani 1 1 d . . . . .
H48C H 0.697962 0.283576 0.211131 0.075 Uiso 1 1 calc R U . . .
C49A C 0.1598(2) 0.25328(16) 0.06388(15) 0.0606(11) Uani 1 1 d . . . . .
H49A H 0.157091 0.240531 0.038227 0.073 Uiso 1 1 calc R U . . .
C49C C 0.7067(2) 0.22951(16) 0.24141(16) 0.0639(12) Uani 1 1 d . . . . .
H49C H 0.708519 0.213587 0.219035 0.077 Uiso 1 1 calc R U . . .
C50A C 0.16888(17) 0.22913(14) 0.10118(13) 0.0521(10) Uani 1 1 d . . . . .
C50C C 0.71089(19) 0.21056(15) 0.28041(15) 0.0563(11) Uani 1 1 d . . . . .
C51A C 0.17377(18) 0.18510(14) 0.10216(14) 0.0552(10) Uani 1 1 d . . . . .
C51C C 0.71743(18) 0.16670(14) 0.28847(15) 0.0557(10) Uani 1 1 d . . . . .
C52A C 0.18493(17) 0.16435(13) 0.14081(15) 0.0516(10) Uani 1 1 d . . . . .
H52A H 0.189768 0.135738 0.142573 0.062 Uiso 1 1 calc R U . . .
C52C C 0.72324(18) 0.15132(15) 0.32802(15) 0.0550(10) Uani 1 1 d . . . . .
H52C H 0.726256 0.122913 0.333468 0.066 Uiso 1 1 calc R U . . .
C53A C 0.18882(16) 0.18742(12) 0.17743(13) 0.0457(9) Uani 1 1 d . . . . .
C53C C 0.72453(17) 0.17949(13) 0.36014(14) 0.0491(9) Uani 1 1 d . . . . .
C54A C 0.17209(16) 0.24866(12) 0.13984(13) 0.0443(9) Uani 1 1 d . . . . .
C54C C 0.70886(16) 0.23526(13) 0.31427(13) 0.0462(9) Uani 1 1 d . . . . .
C55A C 0.22403(16) 0.17980(13) 0.29742(14) 0.0486(9) Uani 1 1 d . . . . .
C55C C 0.75744(17) 0.18972(14) 0.47864(15) 0.0518(10) Uani 1 1 d . . . . .
C56A C 0.21973(18) 0.14061(15) 0.31229(16) 0.0576(11) Uani 1 1 d . . . . .
H56A H 0.210545 0.118103 0.293312 0.069 Uiso 1 1 calc R U . . .
C56C C 0.75539(18) 0.15417(15) 0.50042(15) 0.0579(11) Uani 1 1 d . . . . .
H56C H 0.750424 0.128674 0.486314 0.069 Uiso 1 1 calc R U . . .
C57A C 0.2293(2) 0.13507(18) 0.35626(19) 0.0714(14) Uani 1 1 d . . . . .
H57A H 0.227566 0.108432 0.366232 0.086 Uiso 1 1 calc R U . . .
C57C C 0.7606(2) 0.15588(16) 0.54305(17) 0.0641(12) Uani 1 1 d . . . . .
H57C H 0.759178 0.131334 0.557069 0.077 Uiso 1 1 calc R U . . .
C58A C 0.24101(18) 0.16691(18) 0.38455(17) 0.0649(13) Uani 1 1 d . . . . .
H58A H 0.245888 0.162250 0.413243 0.078 Uiso 1 1 calc R U . . .
C58C C 0.76783(18) 0.19234(16) 0.56516(16) 0.0604(12) Uani 1 1 d . . . . .
H58C H 0.769984 0.192703 0.593491 0.072 Uiso 1 1 calc R U . . .
C59A C 0.24587(18) 0.20761(16) 0.37054(14) 0.0577(11) Uani 1 1 d . . . . .
C59C C 0.77205(18) 0.22995(14) 0.54462(15) 0.0535(10) Uani 1 1 d . . . . .
C60A C 0.2575(2) 0.24309(17) 0.39745(15) 0.0639(12) Uani 1 1 d . . . . .
C60C C 0.78164(17) 0.26890(15) 0.56544(14) 0.0524(10) Uani 1 1 d . . . . .
C61A C 0.26171(18) 0.28133(16) 0.38122(15) 0.0582(11) Uani 1 1 d . . . . .
H61A H 0.267742 0.305054 0.398362 0.070 Uiso 1 1 calc R U . . .
C61C C 0.78957(16) 0.30267(14) 0.54403(13) 0.0486(9) Uani 1 1 d . . . . .
H61C H 0.797502 0.328468 0.557593 0.058 Uiso 1 1 calc R U . . .
C62A C 0.25671(15) 0.28361(14) 0.33839(13) 0.0484(9) Uani 1 1 d . . . . .
C62C C 0.78556(15) 0.29766(13) 0.50194(13) 0.0453(9) Uani 1 1 d . . . . .
C63A C 0.23806(16) 0.21405(13) 0.32675(14) 0.0485(9) Uani 1 1 d . . . . .
C63C C 0.76804(16) 0.22874(14) 0.50145(14) 0.0479(9) Uani 1 1 d . . . . .
C64A C 0.28228(15) 0.34944(12) 0.25815(13) 0.0434(8) Uani 1 1 d . . . . .
C64C C 0.80617(17) 0.35290(13) 0.41210(13) 0.0469(9) Uani 1 1 d . . . . .
C65A C 0.28179(17) 0.39162(13) 0.26421(15) 0.0513(10) Uani 1 1 d . . . . .
H65A H 0.279157 0.402070 0.288988 0.062 Uiso 1 1 calc R U . . .
C65C C 0.80141(17) 0.39490(13) 0.41215(14) 0.0501(9) Uani 1 1 d . . . . .
H65C H 0.794855 0.407745 0.434134 0.060 Uiso 1 1 calc R U . . .
C66A C 0.28527(19) 0.41900(14) 0.23288(16) 0.0583(11) Uani 1 1 d . . . . .
H66A H 0.284763 0.447489 0.237179 0.070 Uiso 1 1 calc R U . . .
C66C C 0.8063(2) 0.41894(14) 0.37942(15) 0.0601(11) Uani 1 1 d . . . . .
H66C H 0.801975 0.447559 0.379533 0.072 Uiso 1 1 calc R U . . .
C67A C 0.28936(18) 0.40451(14) 0.19645(15) 0.0553(10) Uani 1 1 d . . . . .
H67A H 0.291357 0.423031 0.175987 0.066 Uiso 1 1 calc R U . . .
C67C C 0.8172(2) 0.40124(14) 0.34736(15) 0.0578(11) Uani 1 1 d . . . . .
H67C H 0.820439 0.417815 0.325967 0.069 Uiso 1 1 calc R U . . .
C68A C 0.29056(16) 0.36194(12) 0.18981(14) 0.0476(9) Uani 1 1 d . . . . .
C68C C 0.82362(19) 0.35855(13) 0.34652(14) 0.0522(10) Uani 1 1 d . . . . .
C69A C 0.29145(17) 0.34403(14) 0.15075(14) 0.0506(10) Uani 1 1 d . . . . .
C69C C 0.8359(2) 0.33703(14) 0.31478(15) 0.0571(11) Uani 1 1 d . . . . .
C70A C 0.29579(18) 0.30166(13) 0.14803(14) 0.0510(10) Uani 1 1 d . . . . .
H70A H 0.296802 0.289425 0.123355 0.061 Uiso 1 1 calc R U . . .
C70C C 0.84226(17) 0.29530(14) 0.31679(14) 0.0519(10) Uani 1 1 d . . . . .
H70C H 0.850316 0.281328 0.296173 0.062 Uiso 1 1 calc R U . . .
C71A C 0.29864(15) 0.27762(12) 0.18347(12) 0.0426(8) Uani 1 1 d . . . . .
C71C C 0.83644(17) 0.27358(13) 0.35076(13) 0.0495(9) Uani 1 1 d . . . . .
C72A C 0.28960(15) 0.33368(12) 0.22151(12) 0.0433(8) Uani 1 1 d . . . . .
C72C C 0.81914(17) 0.33291(13) 0.37941(13) 0.0494(9) Uani 1 1 d . . . . .
C73C C 0.84419(16) 0.22748(14) 0.35565(14) 0.0497(9) Uani 1 1 d . . . . .
C74C C 0.8609(3) 0.16659(17) 0.3257(2) 0.0822(17) Uani 1 1 d . . . . .
C510 C 0.4659(4) 0.5811(2) 0.4659(2) 0.123(3) Uiso 1 1 d D . . . .
C610 C 0.3488(5) 0.5241(5) 0.4264(4) 0.198(6) Uiso 1 1 d D . . . .
C1CC C 0.5494(7) 0.3860(3) 0.1743(2) 0.089(4) Uiso 0.476(14) 1 d D . P D 2
C4CC C 0.4758(5) 0.4216(9) 0.1252(8) 0.122(8) Uiso 0.476(14) 1 d D . P D 2
C3CC C 0.5420(8) 0.4010(7) 0.0993(5) 0.129(7) Uiso 0.476(14) 1 d D . P D 2
C2CC C 0.5334(5) 0.4175(4) 0.1379(3) 0.095(5) Uiso 0.476(14) 1 d D . P D 2
O1_1 O -0.07716(12) 0.13991(9) 0.00646(10) 0.0578(7) Uani 1 1 d D . . . .
C1_1 C -0.0769(2) 0.09560(14) 0.00743(15) 0.0659(12) Uani 1 1 d D . . . .
C2_1 C -0.06300(17) 0.07950(13) -0.02858(15) 0.0760(15) Uani 1 1 d D . . . .
C3_1 C -0.0761(3) 0.03389(13) -0.0359(2) 0.0906(18) Uani 1 1 d D . . . .
C4_1 C -0.00625(18) 0.0872(2) -0.0176(2) 0.096(2) Uani 1 1 d D . . . .
O1_2 O -0.0066(2) 0.23036(16) 0.37018(13) 0.1164(19) Uani 1 1 d D . . . .
C1_2 C 0.0021(3) 0.2659(2) 0.39729(19) 0.0973(19) Uiso 1 1 d D . . . .
C2_2 C -0.0044(4) 0.2576(2) 0.4389(2) 0.070(3) Uiso 0.557(16) 1 d D . P E 1
C3_2 C 0.0262(5) 0.2197(3) 0.4617(4) 0.098(4) Uiso 0.557(16) 1 d D . P E 1
C4_2 C 0.0074(6) 0.2963(3) 0.4666(3) 0.078(3) Uiso 0.557(16) 1 d D . P E 1
C2E_2 C -0.0103(6) 0.2190(4) 0.4499(5) 0.081(5) Uiso 0.443(16) 1 d . . P E 2
C1E_2 C 0.0309(6) 0.2501(4) 0.4487(4) 0.075(4) Uiso 0.443(16) 1 d . . P E 2
C3E_2 C 0.0334(8) 0.2905(5) 0.4727(5) 0.079(4) Uiso 0.443(16) 1 d . . P E 2
O1_3 O 0.03083(16) 0.40660(12) 0.06998(12) 0.0783(10) Uani 1 1 d D . . . .
C1_3 C 0.0391(3) 0.40007(18) 0.0315(2) 0.102(2) Uani 1 1 d D . . . .
C2_3 C 0.0365(3) 0.44156(18) 0.0098(2) 0.114(3) Uani 1 1 d D . . . .
C3_3 C 0.0802(4) 0.4691(3) 0.0388(3) 0.146(4) Uani 1 1 d D . . . .
C4_3 C 0.0394(7) 0.4340(4) -0.0334(3) 0.213(7) Uani 1 1 d D . . . .
O1_4 O 0.08632(16) 0.07181(11) 0.23270(14) 0.0803(10) Uani 1 1 d D . . . .
C1_4 C 0.0971(3) 0.05571(14) 0.2754(2) 0.101(2) Uani 1 1 d D . . . .
C2_4 C 0.0971(3) 0.00884(14) 0.2748(2) 0.127(3) Uani 1 1 d D . . . .
C3_4 C 0.0449(5) -0.0071(3) 0.2432(4) 0.203(7) Uani 1 1 d D . . . .
C4_4 C 0.1112(4) -0.0076(3) 0.3203(3) 0.145(4) Uani 1 1 d D . . . .
O1_5 O 0.14634(18) 0.43557(10) 0.30183(13) 0.0835(11) Uani 1 1 d D . . . .
C1_5 C 0.1507(3) 0.47235(14) 0.2800(2) 0.0890(18) Uani 1 1 d D . . . .
C2_5 C 0.1432(3) 0.50953(13) 0.3042(2) 0.112(3) Uani 1 1 d D . . . .
C3_5 C 0.0887(4) 0.5090(3) 0.3021(5) 0.192(7) Uani 1 1 d D . . . .
C4_5 C 0.1498(4) 0.54884(18) 0.2826(3) 0.128(3) Uani 1 1 d D . . . .
O1_6 O 0.16791(16) 0.16743(10) 0.06427(11) 0.0744(10) Uani 1 1 d D . . . .
C1_6 C 0.1674(3) 0.12312(16) 0.06217(16) 0.0804(16) Uani 1 1 d D . . . .
C2_6 C 0.1425(5) 0.10915(18) 0.01525(16) 0.246(10) Uani 1 1 d D . . . .
C3_6 C 0.1595(7) 0.1307(3) -0.0165(3) 0.238(10) Uani 1 1 d D . . . .
C4_6 C 0.1476(7) 0.06259(18) 0.0136(3) 0.203(8) Uani 1 1 d D . . . .
O1_7 O 0.26486(17) 0.23599(13) 0.43949(11) 0.0831(11) Uani 1 1 d D . . . .
C1_7 C 0.2685(3) 0.2715(2) 0.46645(14) 0.0895(18) Uani 1 1 d D . . . .
C2_7 C 0.2751(3) 0.2568(2) 0.51105(17) 0.137(3) Uani 1 1 d D . . . .
C3_7 C 0.3296(3) 0.2400(3) 0.5332(3) 0.143(4) Uani 1 1 d D . . . .
C4_7 C 0.2709(5) 0.2929(3) 0.5381(3) 0.175(5) Uani 1 1 d D . . . .
O1_8 O 0.28866(14) 0.37143(10) 0.11981(10) 0.0625(8) Uani 1 1 d D . . . .
C1_8 C 0.2829(2) 0.35657(13) 0.07830(13) 0.0679(13) Uani 1 1 d D . . . .
C2_8 C 0.2673(2) 0.39221(14) 0.04633(13) 0.0843(17) Uani 1 1 d D . . . .
C3_8 C 0.2646(4) 0.3778(2) 0.00271(18) 0.126(3) Uani 1 1 d D . . . .
C4_8 C 0.2159(2) 0.4096(2) 0.0425(2) 0.103(2) Uani 1 1 d D . . . .
O1_9 O 0.34118(15) 0.06747(10) 0.33736(12) 0.0746(10) Uani 1 1 d D . . . .
C1_9 C 0.3442(4) 0.0569(2) 0.3793(3) 0.1265(15) Uiso 1 1 d D . . . .
C2_9 C 0.3299(3) 0.0119(2) 0.3801(3) 0.1265(15) Uiso 1 1 d D . . . .
C3_9 C 0.3642(3) -0.0159(3) 0.3670(3) 0.1265(15) Uiso 1 1 d D . . . .
C4_9 C 0.2736(3) 0.0077(5) 0.3488(4) 0.1265(15) Uiso 0.610(17) 1 d D . P F 1
C4T_9 C 0.3296(10) 0.0022(9) 0.4239(4) 0.141(10) Uiso 0.390(17) 1 d D . P F 2
O1_10 O 0.41822(14) 0.43519(9) 0.42134(11) 0.0643(8) Uani 1 1 d D . . . .
C1_10 C 0.4293(2) 0.47487(14) 0.40790(15) 0.0701(13) Uiso 1 1 d D . . . .
C2_10 C 0.4374(2) 0.50638(14) 0.44331(16) 0.0850(16) Uiso 1 1 d D . . . .
C3_10 C 0.4519(3) 0.54811(15) 0.43111(19) 0.0891(17) Uiso 1 1 d D . . . .
C4_10 C 0.3978(3) 0.5083(4) 0.4627(3) 0.150(4) Uiso 1 1 d D . . . .
O1_11 O 0.43849(17) 0.19766(12) 0.15828(12) 0.0800(10) Uani 1 1 d D . . . .
C1_11 C 0.4495(3) 0.1546(2) 0.1582(2) 0.102(2) Uiso 1 1 d D . . . .
C2_11 C 0.4459(3) 0.1430(3) 0.1136(2) 0.137(3) Uiso 1 1 d D . . . .
C3_11 C 0.4616(6) 0.0984(3) 0.1121(5) 0.184(5) Uiso 1 1 d D . . . .
C4_11 C 0.3904(3) 0.1494(3) 0.0815(3) 0.139(3) Uiso 1 1 d D . . . .
O1_12 O 0.53546(16) 0.25077(12) 0.53367(10) 0.0774(11) Uani 1 1 d D . . . .
C1_12 C 0.5512(2) 0.28443(18) 0.56411(13) 0.0840(18) Uani 1 1 d D . . . .
C2_12 C 0.5648(2) 0.26722(19) 0.60922(13) 0.106(2) Uani 1 1 d D . . . .
C3_12 C 0.5840(4) 0.3016(2) 0.6426(2) 0.127(3) Uani 1 1 d D . . . .
C4_12 C 0.5193(3) 0.2457(3) 0.6129(3) 0.119(3) Uani 1 1 d D . . . .
O1_13 O 0.55625(19) 0.40170(12) 0.21671(14) 0.0928(14) Uani 1 1 d D . . . .
C1_13 C 0.5754(3) 0.3940(3) 0.1847(2) 0.068(3) Uiso 0.524(14) 1 d D . P D 1
C2_13 C 0.5268(3) 0.3810(3) 0.1462(3) 0.073(3) Uiso 0.524(14) 1 d D . P D 1
C3_13 C 0.5389(5) 0.3701(5) 0.1077(3) 0.092(4) Uiso 0.524(14) 1 d D . P D 1
C4_13 C 0.4871(7) 0.4155(5) 0.1348(7) 0.120(8) Uiso 0.524(14) 1 d D . P D 1
O1_14 O 0.61932(18) 0.07780(11) 0.40596(15) 0.0897(12) Uani 1 1 d D . . . .
C1_14 C 0.6411(4) 0.0613(3) 0.4488(3) 0.1389(18) Uiso 1 1 d D . . . .
C2_14 C 0.6632(3) 0.0188(3) 0.4478(3) 0.1389(18) Uiso 1 1 d D . . . .
C3_14 C 0.7012(4) 0.0176(3) 0.4268(3) 0.1389(18) Uiso 1 1 d D . . . .
C4_14 C 0.6785(10) -0.0047(8) 0.4901(5) 0.1389(18) Uiso 0.342(18) 1 d D . P G 1
C4TT_14 C 0.6195(6) -0.0115(5) 0.4255(6) 0.169(8) Uiso 0.658(18) 1 d D . P G 2
O1_15 O 0.6781(2) 0.44246(13) 0.45023(17) 0.1059(15) Uani 1 1 d D . . . .
C1_15 C 0.6852(3) 0.4755(2) 0.4243(2) 0.109(2) Uiso 1 1 d D . . . .
C2_15 C 0.6887(3) 0.5174(2) 0.4455(3) 0.133(3) Uiso 1 1 d D . . . .
C3_15 C 0.6936(5) 0.5512(3) 0.4162(4) 0.163(4) Uiso 1 1 d D . . . .
C4_15 C 0.6393(4) 0.5204(5) 0.4524(5) 0.183(5) Uiso 1 1 d D . . . .
O1_16 O 0.71683(15) 0.14360(10) 0.25477(11) 0.0697(9) Uani 1 1 d D . . . .
C1_16 C 0.7182(2) 0.09928(16) 0.25941(15) 0.0773(14) Uiso 1 1 d D . . . .
C2_16 C 0.7172(2) 0.07966(16) 0.21832(15) 0.0890(17) Uiso 1 1 d D . . . .
C3_16 C 0.7185(3) 0.03297(16) 0.2228(3) 0.108(2) Uiso 1 1 d D . . . .
C4_16 C 0.6709(3) 0.0948(3) 0.1791(3) 0.141(3) Uiso 1 1 d D . . . .
O1_17 O 0.78248(13) 0.26919(10) 0.60608(9) 0.0586(8) Uani 1 1 d D . . . .
C1_17 C 0.7978(2) 0.30616(14) 0.63080(13) 0.0636(12) Uani 1 1 d D . . . .
C2_17 C 0.79229(19) 0.29907(12) 0.67309(11) 0.0672(13) Uani 1 1 d D . . . .
C3_17 C 0.8250(3) 0.26324(16) 0.69881(18) 0.092(2) Uani 1 1 d D . . . .
C4_17 C 0.8058(3) 0.33917(15) 0.6986(2) 0.0930(19) Uani 1 1 d D . . . .
O1_18 O 0.83931(15) 0.36255(10) 0.28381(10) 0.0655(9) Uani 1 1 d D . . . .
C1_18 C 0.8467(2) 0.34371(12) 0.24805(14) 0.0643(12) Uani 1 1 d D . . . .
C2_18 C 0.84969(18) 0.37811(11) 0.21865(12) 0.0656(13) Uani 1 1 d D . . . .
C3_18 C 0.8573(2) 0.35948(17) 0.18046(15) 0.0747(14) Uani 1 1 d D . . . .
C4_18 C 0.8022(2) 0.4055(2) 0.2042(2) 0.098(2) Uani 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 C1R 1.692(8) . ?
Cl1A C2R' 1.7502(11) . ?
C1R' C2R' 1.3900 . ?
C1R' C6R' 1.3900 . ?
C1R' H1R' 0.9300 . ?
C2R' C3R' 1.3900 . ?
C3R' C4R' 1.3900 . ?
C3R' H3R' 0.9300 . ?
C4R' C5R' 1.3900 . ?
C4R' H4R' 0.9300 . ?
C5R' C6R' 1.3900 . ?
C5R' H5R' 0.9300 . ?
C6R' H6R' 0.9300 . ?
C2R C3R 1.3900 . ?
C2R C1R 1.3900 . ?
C2R H2R 0.9300 . ?
C3R C4R 1.3900 . ?
C3R H3R 0.9300 . ?
C4R C5R 1.3900 . ?
C4R H4R 0.9300 . ?
C5R C6R 1.3900 . ?
C5R H5R 0.9300 . ?
C6R C1R 1.3900 . ?
C6R H6R 0.9300 . ?
Cl2B C5S 1.7501(11) . ?
Cl11 C5S 1.7495(11) . ?
Cl12 C5S 1.7493(11) . ?
C5S H5SC 0.9700 . ?
C5S H5SD 0.9700 . ?
C5S H5SA 0.9700 . ?
C5S H5SB 0.9700 . ?
Cl5 C2S 1.699(11) . ?
Cl6 C2S 1.753(9) . ?
Cl6' C2S 1.685(13) . ?
C2S H2SC 0.9700 . ?
C2S H2SD 0.9700 . ?
C2S H2SA 0.9700 . ?
C2S H2SB 0.9700 . ?
Cl7 C3S 1.751(11) . ?
Cl8 C3S 1.661(11) . ?
C3S H3SA 0.9700 . ?
C3S H3SB 0.9700 . ?
Cl9 C4S 1.771(10) . ?
Cl10 C4S 1.704(8) . ?
C4S H4SA 0.9700 . ?
C4S H4SB 0.9700 . ?
Cl13 C6S 1.7496(11) . ?
Cl14 C6S 1.7493(11) . ?
C6S H6SA 0.9700 . ?
C6S H6SB 0.9700 . ?
Cl17 C8S' 1.7499(11) . ?
Cl18 C8S' 1.7500(11) . ?
Cl19 C8S 1.7498(11) . ?
Cl20 C8S 1.7500(11) . ?
C8S H8SC 0.9700 . ?
C8S H8SD 0.9700 . ?
C8S' H8SA 0.9700 . ?
C8S' H8SB 0.9700 . ?
Cl21 C9S 1.672(13) . ?
Cl22 C9S 1.673(13) . ?
C9S H9SA 0.9700 . ?
C9S H9SB 0.9700 . ?
O1A N1A 1.219(5) . ?
O1C C73C 1.192(5) . ?
O1D C1D 1.212(6) . ?
O2A N1A 1.217(5) . ?
O2C C73C 1.336(5) . ?
O2C C74C 1.457(6) . ?
O2D C2D 1.228(6) . ?
O3D C3D 1.215(5) . ?
O4D C4D 1.219(5) . ?
O5D C5D 1.222(5) . ?
O6D C6D 1.223(5) . ?
O7D C7D 1.217(5) . ?
O8D C8D 1.240(5) . ?
O9D C9D 1.238(5) . ?
O10D C10D 1.233(5) . ?
O11D C11D 1.212(5) . ?
O12D C12D 1.217(5) . ?
O13D C13D 1.205(5) . ?
O14D C14D 1.230(6) . ?
O15D C15D 1.229(5) . ?
O16D C16D 1.224(5) . ?
N1A C1A 1.475(6) . ?
N1B C8B 1.302(5) . ?
N1B C9B 1.372(5) . ?
N1C C8C 1.321(5) . ?
N1C C9C 1.364(5) . ?
N1D C1D 1.361(6) . ?
N1D C10A 1.373(6) . ?
N1D H1D 0.8600 . ?
N2A C8A 1.318(6) . ?
N2A C9A 1.358(6) . ?
N2B C19B 1.317(5) . ?
N2B C20B 1.360(5) . ?
N2C C17C 1.315(5) . ?
N2C C18C 1.355(5) . ?
N2D C2D 1.345(6) . ?
N2D C19A 1.397(6) . ?
N2D H2D 0.8600 . ?
N3A C17A 1.334(6) . ?
N3A C18A 1.380(6) . ?
N3C C26C 1.325(5) . ?
N3C C27C 1.355(5) . ?
N3D C3D 1.341(6) . ?
N3D C28A 1.395(6) . ?
N3D H3D 0.8600 . ?
N4A C26A 1.319(5) . ?
N4A C27A 1.346(6) . ?
N4C C35C 1.319(6) . ?
N4C C36C 1.364(6) . ?
N4D C4D 1.360(6) . ?
N4D C37A 1.403(5) . ?
N4D H4D 0.8600 . ?
N5A C35A 1.325(6) . ?
N5A C36A 1.378(6) . ?
N5C C44C 1.330(6) . ?
N5C C45C 1.365(6) . ?
N5D C5D 1.360(5) . ?
N5D C46A 1.391(5) . ?
N5D H5D 0.8600 . ?
N6A C44A 1.338(5) . ?
N6A C45A 1.362(5) . ?
N6C C53C 1.313(5) . ?
N6C C54C 1.368(5) . ?
N6D C6D 1.335(5) . ?
N6D C55A 1.394(5) . ?
N6D H6D 0.8600 . ?
N7A C53A 1.314(5) . ?
N7A C54A 1.364(5) . ?
N7C C62C 1.324(6) . ?
N7C C63C 1.341(5) . ?
N7D C7D 1.348(5) . ?
N7D C64A 1.378(5) . ?
N7D H7D 0.8600 . ?
N8A C62A 1.331(5) . ?
N8A C63A 1.356(5) . ?
N8C C71C 1.329(5) . ?
N8C C72C 1.344(5) . ?
N8D C8D 1.344(5) . ?
N8D C1B 1.392(5) . ?
N8D H8D 0.8600 . ?
N9A C71A 1.325(5) . ?
N9A C72A 1.350(5) . ?
N9D C9D 1.364(5) . ?
N9D C1C 1.372(5) . ?
N9D H9D 0.8600 . ?
N10D C10D 1.367(6) . ?
N10D C10C 1.374(6) . ?
N10D H10D 0.8600 . ?
N11D C11D 1.361(5) . ?
N11D C19C 1.393(5) . ?
N11D H11D 0.8600 . ?
N12D C12D 1.360(5) . ?
N12D C28C 1.378(6) . ?
N12D H12D 0.8600 . ?
N13D C13D 1.341(6) . ?
N13D C37C 1.405(6) . ?
N13D H13D 0.8600 . ?
N14D C14D 1.348(6) . ?
N14D C46C 1.377(5) . ?
N14D H14D 0.8600 . ?
N15D C15D 1.341(6) . ?
N15D C55C 1.382(6) . ?
N15D H15D 0.8600 . ?
N16D C16D 1.341(5) . ?
N16D C64C 1.398(5) . ?
N16D H16D 0.8600 . ?
C1A C2A 1.349(6) . ?
C1A C9A 1.428(6) . ?
C1B C2B 1.385(6) . ?
C1B C9B 1.411(6) . ?
C1C C2C 1.378(6) . ?
C1C C9C 1.427(6) . ?
C1D C8A 1.513(7) . ?
C2A C3A 1.402(7) . ?
C2A H2A 0.9300 . ?
C2B C3B 1.396(7) . ?
C2B H2B 0.9300 . ?
C2C C3C 1.406(7) . ?
C2C H2C 0.9300 . ?
C2D C17A 1.499(7) . ?
C3A C4A 1.338(7) . ?
C3A H3A 0.9300 . ?
C3B C4B 1.361(8) . ?
C3B H3B 0.9300 . ?
C3C C4C 1.325(7) . ?
C3C H3C 0.9300 . ?
C3D C26A 1.508(7) . ?
C4A C5A 1.431(6) . ?
C4A H4A 0.9300 . ?
C4B C5B 1.411(7) . ?
C4B H4B 0.9300 . ?
C4C C5C 1.417(7) . ?
C4C H4C 0.9300 . ?
C4D C35A 1.489(6) . ?
C5A C9A 1.417(6) . ?
C5A C6A 1.420(7) . ?
C5B C6B 1.409(7) . ?
C5B C9B 1.439(6) . ?
C5C C9C 1.419(6) . ?
C5C C6C 1.420(7) . ?
C5D C44A 1.488(6) . ?
C6A O1_1 1.345(5) . ?
C6A C7A 1.373(7) . ?
C6B O1_9 1.340(6) . ?
C6B C7B 1.370(7) . ?
C6C O1_11 1.341(6) . ?
C6C C7C 1.370(7) . ?
C6D C53A 1.516(6) . ?
C7A C8A 1.389(6) . ?
C7A H7A 0.9300 . ?
C7B C8B 1.406(6) . ?
C7B H7B 0.9300 . ?
C7C C8C 1.404(6) . ?
C7C H7C 0.9300 . ?
C7D C62A 1.505(6) . ?
C8B C10B 1.488(6) . ?
C8C C10D 1.471(6) . ?
C8D C71A 1.508(6) . ?
C9D C19B 1.494(6) . ?
C10A C11A 1.392(7) . ?
C10A C18A 1.412(7) . ?
C10B C11B 1.311(6) . ?
C10B H10B 0.9300 . ?
C10C C11C 1.353(6) . ?
C10C C18C 1.436(6) . ?
C11A C12A 1.414(8) . ?
C11A H11A 0.9300 . ?
C11B C12B 1.474(6) . ?
C11B H11B 0.9300 . ?
C11C C12C 1.427(7) . ?
C11C H11C 0.9300 . ?
C11D C17C 1.523(6) . ?
C12A C13A 1.343(9) . ?
C12A H12A 0.9300 . ?
C12B C13B 1.362(6) . ?
C12B C20B 1.439(6) . ?
C12C C13C 1.349(8) . ?
C12C H12C 0.9300 . ?
C12D C26C 1.507(6) . ?
C13A C14A 1.418(8) . ?
C13A H13A 0.9300 . ?
C13B C14B 1.391(7) . ?
C13B H13B 0.9300 . ?
C13C C14C 1.409(7) . ?
C13C H13C 0.9300 . ?
C13D C35C 1.518(7) . ?
C14A C18A 1.399(7) . ?
C14A C15A 1.442(9) . ?
C14B C15B 1.353(7) . ?
C14B H14B 0.9300 . ?
C14C C18C 1.417(6) . ?
C14C C15C 1.417(7) . ?
C14D C44C 1.490(7) . ?
C15A O1_2 1.328(6) . ?
C15A C16A 1.366(8) . ?
C15B C16B 1.419(7) . ?
C15B H15B 0.9300 . ?
C15C O1_12 1.359(5) . ?
C15C C16C 1.368(7) . ?
C15D C53C 1.505(6) . ?
C16A C17A 1.390(6) . ?
C16A H16A 0.9300 . ?
C16B C20B 1.412(6) . ?
C16B C17B 1.418(7) . ?
C16C C17C 1.391(6) . ?
C16C H16C 0.9300 . ?
C16D C62C 1.506(6) . ?
C17B O1_10 1.351(5) . ?
C17B C18B 1.372(6) . ?
C18B C19B 1.414(6) . ?
C18B H18B 0.9300 . ?
C19A C20A 1.374(7) . ?
C19A C27A 1.441(6) . ?
C19C C20C 1.354(6) . ?
C19C C27C 1.430(6) . ?
C20A C21A 1.416(8) . ?
C20A H20A 0.9300 . ?
C20C C21C 1.399(7) . ?
C20C H20C 0.9300 . ?
C21A C22A 1.344(8) . ?
C21A H21A 0.9300 . ?
C21C C22C 1.354(8) . ?
C21C H21C 0.9300 . ?
C22A C23A 1.407(7) . ?
C22A H22A 0.9300 . ?
C22C C23C 1.415(7) . ?
C22C H22C 0.9300 . ?
C23A C24A 1.410(7) . ?
C23A C27A 1.425(6) . ?
C23C C24C 1.402(7) . ?
C23C C27C 1.425(6) . ?
C24A O1_3 1.357(6) . ?
C24A C25A 1.364(7) . ?
C24C C25C 1.358(7) . ?
C24C O1_13 1.364(5) . ?
C25A C26A 1.408(7) . ?
C25A H25A 0.9300 . ?
C25C C26C 1.400(6) . ?
C25C H25C 0.9300 . ?
C28A C29A 1.381(6) . ?
C28A C36A 1.414(7) . ?
C28C C29C 1.380(6) . ?
C28C C36C 1.434(7) . ?
C29A C30A 1.419(8) . ?
C29A H29A 0.9300 . ?
C29C C30C 1.405(8) . ?
C29C H29C 0.9300 . ?
C30A C31A 1.353(9) . ?
C30A H30A 0.9300 . ?
C30C C31C 1.339(9) . ?
C30C H30C 0.9300 . ?
C31A C32A 1.413(7) . ?
C31A H31A 0.9300 . ?
C31C C32C 1.417(7) . ?
C31C H31C 0.9300 . ?
C32A C36A 1.408(6) . ?
C32A C33A 1.417(8) . ?
C32C C33C 1.392(8) . ?
C32C C36C 1.416(6) . ?
C33A O1_4 1.348(6) . ?
C33A C34A 1.381(8) . ?
C33C O1_14 1.341(6) . ?
C33C C34C 1.416(8) . ?
C34A C35A 1.397(6) . ?
C34A H34A 0.9300 . ?
C34C C35C 1.372(6) . ?
C34C H34C 0.9300 . ?
C37A C38A 1.364(6) . ?
C37A C45A 1.426(6) . ?
C37C C38C 1.377(7) . ?
C37C C45C 1.417(7) . ?
C38A C39A 1.391(7) . ?
C38A H38A 0.9300 . ?
C38C C39C 1.438(9) . ?
C38C H38C 0.9300 . ?
C39A C40A 1.363(8) . ?
C39A H39A 0.9300 . ?
C39C C40C 1.336(10) . ?
C39C H39C 0.9300 . ?
C40A C41A 1.409(7) . ?
C40A H40A 0.9300 . ?
C40C C41C 1.419(8) . ?
C40C H40C 0.9300 . ?
C41A C45A 1.397(6) . ?
C41A C42A 1.439(7) . ?
C41C C42C 1.414(9) . ?
C41C C45C 1.418(7) . ?
C42A O1_5 1.337(5) . ?
C42A C43A 1.365(7) . ?
C42C O1_15 1.365(6) . ?
C42C C43C 1.378(8) . ?
C43A C44A 1.387(6) . ?
C43A H43A 0.9300 . ?
C43C C44C 1.386(6) . ?
C43C H43C 0.9300 . ?
C46A C47A 1.376(6) . ?
C46A C54A 1.434(6) . ?
C46C C47C 1.396(6) . ?
C46C C54C 1.424(6) . ?
C47A C48A 1.413(7) . ?
C47A H47A 0.9300 . ?
C47C C48C 1.395(7) . ?
C47C H47C 0.9300 . ?
C48A C49A 1.335(7) . ?
C48A H48A 0.9300 . ?
C48C C49C 1.358(7) . ?
C48C H48C 0.9300 . ?
C49A C50A 1.408(7) . ?
C49A H49A 0.9300 . ?
C49C C50C 1.407(7) . ?
C49C H49C 0.9300 . ?
C50A C54A 1.414(6) . ?
C50A C51A 1.424(7) . ?
C50C C54C 1.410(6) . ?
C50C C51C 1.436(7) . ?
C51A O1_6 1.343(5) . ?
C51A C52A 1.379(7) . ?
C51C O1_16 1.351(5) . ?
C51C C52C 1.365(7) . ?
C52A C53A 1.404(6) . ?
C52A H52A 0.9300 . ?
C52C C53C 1.400(6) . ?
C52C H52C 0.9300 . ?
C55A C56A 1.381(6) . ?
C55A C63A 1.424(6) . ?
C55C C56C 1.373(6) . ?
C55C C63C 1.439(7) . ?
C56A C57A 1.402(7) . ?
C56A H56A 0.9300 . ?
C56C C57C 1.382(7) . ?
C56C H56C 0.9300 . ?
C57A C58A 1.345(8) . ?
C57A H57A 0.9300 . ?
C57C C58C 1.360(8) . ?
C57C H57C 0.9300 . ?
C58A C59A 1.419(7) . ?
C58A H58A 0.9300 . ?
C58C C59C 1.424(7) . ?
C58C H58C 0.9300 . ?
C59A C60A 1.411(7) . ?
C59A C63A 1.413(6) . ?
C59C C60C 1.408(7) . ?
C59C C63C 1.411(6) . ?
C60A O1_7 1.362(6) . ?
C60A C61A 1.372(7) . ?
C60C O1_17 1.358(5) . ?
C60C C61C 1.373(6) . ?
C61A C62A 1.391(6) . ?
C61A H61A 0.9300 . ?
C61C C62C 1.383(6) . ?
C61C H61C 0.9300 . ?
C64A C65A 1.374(6) . ?
C64A C72A 1.424(6) . ?
C64C C65C 1.359(6) . ?
C64C C72C 1.445(6) . ?
C65A C66A 1.408(7) . ?
C65A H65A 0.9300 . ?
C65C C66C 1.398(6) . ?
C65C H65C 0.9300 . ?
C66A C67A 1.360(7) . ?
C66A H66A 0.9300 . ?
C66C C67C 1.363(7) . ?
C66C H66C 0.9300 . ?
C67A C68A 1.392(6) . ?
C67A H67A 0.9300 . ?
C67C C68C 1.389(6) . ?
C67C H67C 0.9300 . ?
C68A C72A 1.411(6) . ?
C68A C69A 1.445(6) . ?
C68C C72C 1.427(6) . ?
C68C C69C 1.429(6) . ?
C69A O1_8 1.342(5) . ?
C69A C70A 1.377(6) . ?
C69C C70C 1.354(6) . ?
C69C O1_18 1.361(5) . ?
C70A C71A 1.396(6) . ?
C70A H70A 0.9300 . ?
C70C C71C 1.406(6) . ?
C70C H70C 0.9300 . ?
C71C C73C 1.500(6) . ?
C510 C3_10 1.5103(11) . ?
C610 C4_10 1.5097(11) . ?
C1CC O1_13 1.4506(11) . ?
C1CC C2CC 1.5098(11) . ?
C4CC C2CC 1.5101(11) . ?
C3CC C2CC 1.5100(11) . ?
O1_1 C1_1 1.428(5) . ?
C1_1 C2_1 1.5104(11) . ?
C2_1 C3_1 1.5100(11) . ?
C2_1 C4_1 1.5105(11) . ?
O1_2 C1_2 1.420(7) . ?
C1_2 C2_2 1.5102(11) . ?
C1_2 C1E_2 1.660(15) . ?
C2_2 C4_2 1.5099(11) . ?
C2_2 C3_2 1.5099(11) . ?
C2E_2 C1E_2 1.55(2) . ?
C1E_2 C3E_2 1.52(2) . ?
O1_3 C1_3 1.421(6) . ?
C1_3 C2_3 1.5101(11) . ?
C2_3 C3_3 1.5100(11) . ?
C2_3 C4_3 1.5102(11) . ?
O1_4 C1_4 1.439(7) . ?
C1_4 C2_4 1.5097(11) . ?
C2_4 C3_4 1.5100(11) . ?
C2_4 C4_4 1.5101(11) . ?
O1_5 C1_5 1.425(6) . ?
C1_5 C2_5 1.5100(11) . ?
C2_5 C3_5 1.5099(11) . ?
C2_5 C4_5 1.5101(11) . ?
O1_6 C1_6 1.429(6) . ?
C1_6 C2_6 1.5099(11) . ?
C2_6 C3_6 1.5092(11) . ?
C2_6 C4_6 1.5099(11) . ?
O1_7 C1_7 1.437(6) . ?
C1_7 C2_7 1.5098(11) . ?
C2_7 C4_7 1.5100(11) . ?
C2_7 C3_7 1.5101(11) . ?
O1_8 C1_8 1.422(5) . ?
C1_8 C2_8 1.5102(11) . ?
C2_8 C4_8 1.5103(11) . ?
C2_8 C3_8 1.5104(11) . ?
O1_9 C1_9 1.419(7) . ?
C1_9 C2_9 1.5104(11) . ?
C2_9 C4_9 1.5100(11) . ?
C2_9 C4T_9 1.5100(11) . ?
C2_9 C3_9 1.5104(11) . ?
O1_10 C1_10 1.433(5) . ?
C1_10 C2_10 1.5096(11) . ?
C2_10 C4_10 1.5092(11) . ?
C2_10 C3_10 1.5098(11) . ?
O1_11 C1_11 1.422(7) . ?
C1_11 C2_11 1.5101(11) . ?
C2_11 C3_11 1.5100(11) . ?
C2_11 C4_11 1.5101(11) . ?
O1_12 C1_12 1.432(6) . ?
C1_12 C2_12 1.5100(11) . ?
C2_12 C4_12 1.5098(11) . ?
C2_12 C3_12 1.5103(11) . ?
O1_13 C1_13 1.411(8) . ?
C1_13 C2_13 1.5102(11) . ?
C2_13 C4_13 1.5101(11) . ?
C2_13 C3_13 1.5102(11) . ?
O1_14 C1_14 1.418(8) . ?
C1_14 C2_14 1.5102(11) . ?
C2_14 C4_14 1.5098(11) . ?
C2_14 C3_14 1.5099(11) . ?
C2_14 C4TT_14 1.5099(11) . ?
O1_15 C1_15 1.441(7) . ?
C1_15 C2_15 1.5098(11) . ?
C2_15 C4_15 1.5100(11) . ?
C2_15 C3_15 1.5101(11) . ?
O1_16 C1_16 1.435(6) . ?
C1_16 C2_16 1.5099(11) . ?
C2_16 C4_16 1.5099(11) . ?
C2_16 C3_16 1.5101(11) . ?
O1_17 C1_17 1.415(5) . ?
C1_17 C2_17 1.5101(11) . ?
C2_17 C4_17 1.5099(11) . ?
C2_17 C3_17 1.5101(11) . ?
O1_18 C1_18 1.437(5) . ?
C1_18 C2_18 1.5105(11) . ?
C2_18 C4_18 1.5100(11) . ?
C2_18 C3_18 1.5104(11) . ?

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
C2R' C1R' C6R' 120.0 . . ?
C2R' C1R' H1R' 120.0 . . ?
C6R' C1R' H1R' 120.0 . . ?
C1R' C2R' C3R' 120.0 . . ?
C1R' C2R' Cl1A 122.1(7) . . ?
C3R' C2R' Cl1A 117.9(7) . . ?
C4R' C3R' C2R' 120.0 . . ?
C4R' C3R' H3R' 120.0 . . ?
C2R' C3R' H3R' 120.0 . . ?
C3R' C4R' C5R' 120.0 . . ?
C3R' C4R' H4R' 120.0 . . ?
C5R' C4R' H4R' 120.0 . . ?
C6R' C5R' C4R' 120.0 . . ?
C6R' C5R' H5R' 120.0 . . ?
C4R' C5R' H5R' 120.0 . . ?
C5R' C6R' C1R' 120.0 . . ?
C5R' C6R' H6R' 120.0 . . ?
C1R' C6R' H6R' 120.0 . . ?
C3R C2R C1R 120.0 . . ?
C3R C2R H2R 120.0 . . ?
C1R C2R H2R 120.0 . . ?
C2R C3R C4R 120.0 . . ?
C2R C3R H3R 120.0 . . ?
C4R C3R H3R 120.0 . . ?
C5R C4R C3R 120.0 . . ?
C5R C4R H4R 120.0 . . ?
C3R C4R H4R 120.0 . . ?
C4R C5R C6R 120.0 . . ?
C4R C5R H5R 120.0 . . ?
C6R C5R H5R 120.0 . . ?
C1R C6R C5R 120.0 . . ?
C1R C6R H6R 120.0 . . ?
C5R C6R H6R 120.0 . . ?
C6R C1R C2R 120.0 . . ?
C6R C1R Cl1 118.1(5) . . ?
C2R C1R Cl1 121.7(5) . . ?
Cl12 C5S Cl11 108.2(5) . . ?
Cl11 C5S Cl2B 111.0(5) . . ?
Cl11 C5S H5SC 109.4 . . ?
Cl2B C5S H5SC 109.4 . . ?
Cl11 C5S H5SD 109.4 . . ?
Cl2B C5S H5SD 109.4 . . ?
H5SC C5S H5SD 108.0 . . ?
Cl12 C5S H5SA 110.1 . . ?
Cl11 C5S H5SA 110.1 . . ?
Cl12 C5S H5SB 110.1 . . ?
Cl11 C5S H5SB 110.1 . . ?
H5SA C5S H5SB 108.4 . . ?
Cl6' C2S Cl5 134.1(6) . . ?
Cl5 C2S Cl6 100.7(6) . . ?
Cl5 C2S H2SC 111.6 . . ?
Cl6 C2S H2SC 111.6 . . ?
Cl5 C2S H2SD 111.6 . . ?
Cl6 C2S H2SD 111.6 . . ?
H2SC C2S H2SD 109.4 . . ?
Cl6' C2S H2SA 103.7 . . ?
Cl5 C2S H2SA 103.7 . . ?
Cl6' C2S H2SB 103.7 . . ?
Cl5 C2S H2SB 103.7 . . ?
H2SA C2S H2SB 105.3 . . ?
Cl8 C3S Cl7 112.5(4) . . ?
Cl8 C3S H3SA 109.1 . . ?
Cl7 C3S H3SA 109.1 . . ?
Cl8 C3S H3SB 109.1 . . ?
Cl7 C3S H3SB 109.1 . . ?
H3SA C3S H3SB 107.8 . . ?
Cl10 C4S Cl9 112.8(5) . . ?
Cl10 C4S H4SA 109.0 . . ?
Cl9 C4S H4SA 109.0 . . ?
Cl10 C4S H4SB 109.0 . . ?
Cl9 C4S H4SB 109.0 . . ?
H4SA C4S H4SB 107.8 . . ?
Cl14 C6S Cl13 112.7(2) . . ?
Cl14 C6S H6SA 109.1 . . ?
Cl13 C6S H6SA 109.1 . . ?
Cl14 C6S H6SB 109.1 . . ?
Cl13 C6S H6SB 109.1 . . ?
H6SA C6S H6SB 107.8 . . ?
Cl19 C8S Cl20 114.2(8) . . ?
Cl19 C8S H8SC 108.7 . . ?
Cl20 C8S H8SC 108.7 . . ?
Cl19 C8S H8SD 108.7 . . ?
Cl20 C8S H8SD 108.7 . . ?
H8SC C8S H8SD 107.6 . . ?
Cl17 C8S' Cl18 102.6(5) . . ?
Cl17 C8S' H8SA 111.2 . . ?
Cl18 C8S' H8SA 111.2 . . ?
Cl17 C8S' H8SB 111.2 . . ?
Cl18 C8S' H8SB 111.2 . . ?
H8SA C8S' H8SB 109.2 . . ?
Cl21 C9S Cl22 117.0(8) . . ?
Cl21 C9S H9SA 108.0 . . ?
Cl22 C9S H9SA 108.0 . . ?
Cl21 C9S H9SB 108.0 . . ?
Cl22 C9S H9SB 108.0 . . ?
H9SA C9S H9SB 107.3 . . ?
C73C O2C C74C 113.6(4) . . ?
O2A N1A O1A 123.4(4) . . ?
O2A N1A C1A 119.4(4) . . ?
O1A N1A C1A 117.2(4) . . ?
C8B N1B C9B 117.9(3) . . ?
C8C N1C C9C 118.4(3) . . ?
C1D N1D C10A 128.0(4) . . ?
C1D N1D H1D 116.0 . . ?
C10A N1D H1D 116.0 . . ?
C8A N2A C9A 116.1(4) . . ?
C19B N2B C20B 117.8(3) . . ?
C17C N2C C18C 116.7(3) . . ?
C2D N2D C19A 127.6(4) . . ?
C2D N2D H2D 116.2 . . ?
C19A N2D H2D 116.2 . . ?
C17A N3A C18A 116.2(4) . . ?
C26C N3C C27C 117.8(3) . . ?
C3D N3D C28A 129.7(4) . . ?
C3D N3D H3D 115.1 . . ?
C28A N3D H3D 115.1 . . ?
C26A N4A C27A 117.5(4) . . ?
C35C N4C C36C 117.2(4) . . ?
C4D N4D C37A 128.8(4) . . ?
C4D N4D H4D 115.6 . . ?
C37A N4D H4D 115.6 . . ?
C35A N5A C36A 116.9(4) . . ?
C44C N5C C45C 116.7(4) . . ?
C5D N5D C46A 128.8(3) . . ?
C5D N5D H5D 115.6 . . ?
C46A N5D H5D 115.6 . . ?
C44A N6A C45A 116.6(3) . . ?
C53C N6C C54C 117.3(3) . . ?
C6D N6D C55A 129.5(4) . . ?
C6D N6D H6D 115.2 . . ?
C55A N6D H6D 115.2 . . ?
C53A N7A C54A 117.2(3) . . ?
C62C N7C C63C 117.0(4) . . ?
C7D N7D C64A 129.9(3) . . ?
C7D N7D H7D 115.0 . . ?
C64A N7D H7D 115.0 . . ?
C62A N8A C63A 117.6(4) . . ?
C71C N8C C72C 117.2(3) . . ?
C8D N8D C1B 129.3(3) . . ?
C8D N8D H8D 115.3 . . ?
C1B N8D H8D 115.3 . . ?
C71A N9A C72A 117.5(3) . . ?
C9D N9D C1C 129.9(4) . . ?
C9D N9D H9D 115.0 . . ?
C1C N9D H9D 115.0 . . ?
C10D N10D C10C 130.1(4) . . ?
C10D N10D H10D 115.0 . . ?
C10C N10D H10D 115.0 . . ?
C11D N11D C19C 128.6(3) . . ?
C11D N11D H11D 115.7 . . ?
C19C N11D H11D 115.7 . . ?
C12D N12D C28C 128.1(3) . . ?
C12D N12D H12D 116.0 . . ?
C28C N12D H12D 116.0 . . ?
C13D N13D C37C 129.2(4) . . ?
C13D N13D H13D 115.4 . . ?
C37C N13D H13D 115.4 . . ?
C14D N14D C46C 130.3(4) . . ?
C14D N14D H14D 114.8 . . ?
C46C N14D H14D 114.8 . . ?
C15D N15D C55C 129.8(4) . . ?
C15D N15D H15D 115.1 . . ?
C55C N15D H15D 115.1 . . ?
C16D N16D C64C 128.3(4) . . ?
C16D N16D H16D 115.9 . . ?
C64C N16D H16D 115.9 . . ?
C2A C1A C9A 121.5(4) . . ?
C2A C1A N1A 116.6(4) . . ?
C9A C1A N1A 121.7(4) . . ?
C2B C1B N8D 124.5(4) . . ?
C2B C1B C9B 120.2(4) . . ?
N8D C1B C9B 115.2(3) . . ?
N9D C1C C2C 126.4(4) . . ?
N9D C1C C9C 114.2(3) . . ?
C2C C1C C9C 119.4(4) . . ?
O1D C1D N1D 125.5(4) . . ?
O1D C1D C8A 121.3(4) . . ?
N1D C1D C8A 113.2(4) . . ?
C1A C2A C3A 120.7(5) . . ?
C1A C2A H2A 119.7 . . ?
C3A C2A H2A 119.7 . . ?
C1B C2B C3B 119.7(5) . . ?
C1B C2B H2B 120.2 . . ?
C3B C2B H2B 120.2 . . ?
C1C C2C C3C 119.1(4) . . ?
C1C C2C H2C 120.5 . . ?
C3C C2C H2C 120.5 . . ?
O2D C2D N2D 123.1(5) . . ?
O2D C2D C17A 119.3(4) . . ?
N2D C2D C17A 117.6(4) . . ?
C4A C3A C2A 120.5(4) . . ?
C4A C3A H3A 119.7 . . ?
C2A C3A H3A 119.7 . . ?
C4B C3B C2B 121.8(4) . . ?
C4B C3B H3B 119.1 . . ?
C2B C3B H3B 119.1 . . ?
C4C C3C C2C 123.1(4) . . ?
C4C C3C H3C 118.5 . . ?
C2C C3C H3C 118.5 . . ?
O3D C3D N3D 125.9(4) . . ?
O3D C3D C26A 121.9(4) . . ?
N3D C3D C26A 112.2(4) . . ?
C3A C4A C5A 120.8(4) . . ?
C3A C4A H4A 119.6 . . ?
C5A C4A H4A 119.6 . . ?
C3B C4B C5B 120.5(4) . . ?
C3B C4B H4B 119.8 . . ?
C5B C4B H4B 119.8 . . ?
C3C C4C C5C 120.2(4) . . ?
C3C C4C H4C 119.9 . . ?
C5C C4C H4C 119.9 . . ?
O4D C4D N4D 124.5(4) . . ?
O4D C4D C35A 121.8(4) . . ?
N4D C4D C35A 113.6(4) . . ?
C9A C5A C6A 118.2(4) . . ?
C9A C5A C4A 119.3(4) . . ?
C6A C5A C4A 122.3(4) . . ?
C6B C5B C4B 124.7(4) . . ?
C6B C5B C9B 116.9(4) . . ?
C4B C5B C9B 118.5(4) . . ?
C4C C5C C9C 118.6(4) . . ?
C4C C5C C6C 124.8(4) . . ?
C9C C5C C6C 116.6(4) . . ?
O5D C5D N5D 124.1(4) . . ?
O5D C5D C44A 121.6(4) . . ?
N5D C5D C44A 114.3(3) . . ?
O1_1 C6A C7A 125.0(4) . . ?
O1_1 C6A C5A 116.1(4) . . ?
C7A C6A C5A 118.9(4) . . ?
O1_9 C6B C7B 125.3(5) . . ?
O1_9 C6B C5B 115.4(4) . . ?
C7B C6B C5B 119.2(4) . . ?
O1_11 C6C C7C 125.0(5) . . ?
O1_11 C6C C5C 115.3(4) . . ?
C7C C6C C5C 119.7(4) . . ?
O6D C6D N6D 125.5(4) . . ?
O6D C6D C53A 120.9(4) . . ?
N6D C6D C53A 113.6(3) . . ?
C6A C7A C8A 117.2(4) . . ?
C6A C7A H7A 121.4 . . ?
C8A C7A H7A 121.4 . . ?
C6B C7B C8B 119.6(4) . . ?
C6B C7B H7B 120.2 . . ?
C8B C7B H7B 120.2 . . ?
C6C C7C C8C 119.3(4) . . ?
C6C C7C H7C 120.3 . . ?
C8C C7C H7C 120.3 . . ?
O7D C7D N7D 125.7(4) . . ?
O7D C7D C62A 121.4(4) . . ?
N7D C7D C62A 112.9(3) . . ?
N2A C8A C7A 127.0(4) . . ?
N2A C8A C1D 115.5(4) . . ?
C7A C8A C1D 117.5(4) . . ?
N1B C8B C7B 124.0(4) . . ?
N1B C8B C10B 118.4(4) . . ?
C7B C8B C10B 117.6(4) . . ?
N1C C8C C7C 123.1(4) . . ?
N1C C8C C10D 117.8(3) . . ?
C7C C8C C10D 119.1(4) . . ?
O8D C8D N8D 125.7(4) . . ?
O8D C8D C71A 120.2(4) . . ?
N8D C8D C71A 114.1(3) . . ?
N2A C9A C5A 122.2(4) . . ?
N2A C9A C1A 120.6(4) . . ?
C5A C9A C1A 117.2(4) . . ?
N1B C9B C1B 118.4(4) . . ?
N1B C9B C5B 122.4(4) . . ?
C1B C9B C5B 119.2(4) . . ?
N1C C9C C5C 122.7(4) . . ?
N1C C9C C1C 117.7(3) . . ?
C5C C9C C1C 119.5(4) . . ?
O9D C9D N9D 125.0(4) . . ?
O9D C9D C19B 122.4(4) . . ?
N9D C9D C19B 112.6(3) . . ?
N1D C10A C11A 123.7(5) . . ?
N1D C10A C18A 116.2(4) . . ?
C11A C10A C18A 120.1(4) . . ?
C11B C10B C8B 123.7(4) . . ?
C11B C10B H10B 118.1 . . ?
C8B C10B H10B 118.1 . . ?
C11C C10C N10D 125.9(4) . . ?
C11C C10C C18C 119.7(4) . . ?
N10D C10C C18C 114.4(4) . . ?
O10D C10D N10D 123.5(4) . . ?
O10D C10D C8C 122.6(4) . . ?
N10D C10D C8C 113.7(4) . . ?
C10A C11A C12A 119.1(5) . . ?
C10A C11A H11A 120.5 . . ?
C12A C11A H11A 120.5 . . ?
C10B C11B C12B 126.5(4) . . ?
C10B C11B H11B 116.7 . . ?
C12B C11B H11B 116.7 . . ?
C10C C11C C12C 119.8(5) . . ?
C10C C11C H11C 120.1 . . ?
C12C C11C H11C 120.1 . . ?
O11D C11D N11D 125.7(4) . . ?
O11D C11D C17C 121.7(4) . . ?
N11D C11D C17C 112.5(3) . . ?
C13A C12A C11A 121.8(5) . . ?
C13A C12A H12A 119.1 . . ?
C11A C12A H12A 119.1 . . ?
C13B C12B C20B 117.6(4) . . ?
C13B C12B C11B 123.9(4) . . ?
C20B C12B C11B 118.5(3) . . ?
C13C C12C C11C 121.9(5) . . ?
C13C C12C H12C 119.0 . . ?
C11C C12C H12C 119.0 . . ?
O12D C12D N12D 125.1(4) . . ?
O12D C12D C26C 120.9(4) . . ?
N12D C12D C26C 114.0(3) . . ?
C12A C13A C14A 119.6(5) . . ?
C12A C13A H13A 120.2 . . ?
C14A C13A H13A 120.2 . . ?
C12B C13B C14B 122.4(4) . . ?
C12B C13B H13B 118.8 . . ?
C14B C13B H13B 118.8 . . ?
C12C C13C C14C 119.6(5) . . ?
C12C C13C H13C 120.2 . . ?
C14C C13C H13C 120.2 . . ?
O13D C13D N13D 126.3(5) . . ?
O13D C13D C35C 122.9(5) . . ?
N13D C13D C35C 110.8(4) . . ?
C18A C14A C13A 120.2(5) . . ?
C18A C14A C15A 117.9(5) . . ?
C13A C14A C15A 121.9(5) . . ?
C15B C14B C13B 120.9(4) . . ?
C15B C14B H14B 119.6 . . ?
C13B C14B H14B 119.6 . . ?
C13C C14C C18C 119.5(4) . . ?
C13C C14C C15C 124.4(4) . . ?
C18C C14C C15C 116.1(4) . . ?
O14D C14D N14D 123.7(4) . . ?
O14D C14D C44C 121.5(4) . . ?
N14D C14D C44C 114.8(4) . . ?
O1_2 C15A C16A 126.1(6) . . ?
O1_2 C15A C14A 116.2(5) . . ?
C16A C15A C14A 117.8(5) . . ?
C14B C15B C16B 120.2(4) . . ?
C14B C15B H15B 119.9 . . ?
C16B C15B H15B 119.9 . . ?
O1_12 C15C C16C 124.7(4) . . ?
O1_12 C15C C14C 114.8(4) . . ?
C16C C15C C14C 120.4(4) . . ?
O15D C15D N15D 125.5(4) . . ?
O15D C15D C53C 122.0(4) . . ?
N15D C15D C53C 112.5(4) . . ?
C15A C16A C17A 120.1(5) . . ?
C15A C16A H16A 119.9 . . ?
C17A C16A H16A 119.9 . . ?
C20B C16B C17B 117.8(4) . . ?
C20B C16B C15B 118.5(4) . . ?
C17B C16B C15B 123.7(4) . . ?
C15C C16C C17C 117.4(4) . . ?
C15C C16C H16C 121.3 . . ?
C17C C16C H16C 121.3 . . ?
O16D C16D N16D 124.5(4) . . ?
O16D C16D C62C 121.3(4) . . ?
N16D C16D C62C 114.2(4) . . ?
N3A C17A C16A 124.6(5) . . ?
N3A C17A C2D 119.4(4) . . ?
C16A C17A C2D 116.0(4) . . ?
O1_10 C17B C18B 124.5(4) . . ?
O1_10 C17B C16B 115.5(4) . . ?
C18B C17B C16B 120.0(4) . . ?
N2C C17C C16C 125.6(4) . . ?
N2C C17C C11D 116.3(3) . . ?
C16C C17C C11D 118.0(4) . . ?
N3A C18A C14A 123.1(5) . . ?
N3A C18A C10A 117.7(4) . . ?
C14A C18A C10A 119.1(5) . . ?
C17B C18B C19B 117.1(4) . . ?
C17B C18B H18B 121.4 . . ?
C19B C18B H18B 121.4 . . ?
N2C C18C C14C 123.5(4) . . ?
N2C C18C C10C 117.2(4) . . ?
C14C C18C C10C 119.3(4) . . ?
C20A C19A N2D 125.0(4) . . ?
C20A C19A C27A 119.2(4) . . ?
N2D C19A C27A 115.8(4) . . ?
N2B C19B C18B 125.0(4) . . ?
N2B C19B C9D 116.0(3) . . ?
C18B C19B C9D 119.1(4) . . ?
C20C C19C N11D 125.0(4) . . ?
C20C C19C C27C 120.1(4) . . ?
N11D C19C C27C 114.8(3) . . ?
C19A C20A C21A 120.2(5) . . ?
C19A C20A H20A 119.9 . . ?
C21A C20A H20A 119.9 . . ?
N2B C20B C16B 122.2(4) . . ?
N2B C20B C12B 117.6(3) . . ?
C16B C20B C12B 120.2(4) . . ?
C19C C20C C21C 120.3(4) . . ?
C19C C20C H20C 119.8 . . ?
C21C C20C H20C 119.8 . . ?
C22A C21A C20A 121.9(5) . . ?
C22A C21A H21A 119.1 . . ?
C20A C21A H21A 119.1 . . ?
C22C C21C C20C 121.9(4) . . ?
C22C C21C H21C 119.0 . . ?
C20C C21C H21C 119.0 . . ?
C21A C22A C23A 120.1(5) . . ?
C21A C22A H22A 120.0 . . ?
C23A C22A H22A 120.0 . . ?
C21C C22C C23C 119.8(4) . . ?
C21C C22C H22C 120.1 . . ?
C23C C22C H22C 120.1 . . ?
C22A C23A C24A 123.5(4) . . ?
C22A C23A C27A 119.8(4) . . ?
C24A C23A C27A 116.8(4) . . ?
C24C C23C C22C 124.0(4) . . ?
C24C C23C C27C 117.1(4) . . ?
C22C C23C C27C 118.9(4) . . ?
O1_3 C24A C25A 125.0(4) . . ?
O1_3 C24A C23A 115.4(4) . . ?
C25A C24A C23A 119.6(4) . . ?
C25C C24C O1_13 123.6(4) . . ?
C25C C24C C23C 120.4(4) . . ?
O1_13 C24C C23C 115.9(4) . . ?
C24A C25A C26A 118.9(4) . . ?
C24A C25A H25A 120.6 . . ?
C26A C25A H25A 120.6 . . ?
C24C C25C C26C 118.4(4) . . ?
C24C C25C H25C 120.8 . . ?
C26C C25C H25C 120.8 . . ?
N4A C26A C25A 123.9(4) . . ?
N4A C26A C3D 117.6(4) . . ?
C25A C26A C3D 118.5(4) . . ?
N3C C26C C25C 124.0(4) . . ?
N3C C26C C12D 119.1(3) . . ?
C25C C26C C12D 116.9(4) . . ?
N4A C27A C23A 123.3(4) . . ?
N4A C27A C19A 117.9(4) . . ?
C23A C27A C19A 118.8(4) . . ?
N3C C27C C23C 122.3(4) . . ?
N3C C27C C19C 118.9(3) . . ?
C23C C27C C19C 118.8(4) . . ?
C29A C28A N3D 124.7(5) . . ?
C29A C28A C36A 120.8(5) . . ?
N3D C28A C36A 114.6(4) . . ?
N12D C28C C29C 125.3(4) . . ?
N12D C28C C36C 115.4(3) . . ?
C29C C28C C36C 119.2(4) . . ?
C28A C29A C30A 117.7(5) . . ?
C28A C29A H29A 121.1 . . ?
C30A C29A H29A 121.1 . . ?
C28C C29C C30C 118.9(5) . . ?
C28C C29C H29C 120.5 . . ?
C30C C29C H29C 120.5 . . ?
C31A C30A C29A 122.7(5) . . ?
C31A C30A H30A 118.7 . . ?
C29A C30A H30A 118.7 . . ?
C31C C30C C29C 123.6(5) . . ?
C31C C30C H30C 118.2 . . ?
C29C C30C H30C 118.2 . . ?
C30A C31A C32A 120.0(5) . . ?
C30A C31A H31A 120.0 . . ?
C32A C31A H31A 120.0 . . ?
C30C C31C C32C 119.4(5) . . ?
C30C C31C H31C 120.3 . . ?
C32C C31C H31C 120.3 . . ?
C36A C32A C31A 118.7(5) . . ?
C36A C32A C33A 117.7(4) . . ?
C31A C32A C33A 123.5(5) . . ?
C33C C32C C36C 117.9(4) . . ?
C33C C32C C31C 123.2(5) . . ?
C36C C32C C31C 119.0(5) . . ?
O1_4 C33A C34A 124.4(5) . . ?
O1_4 C33A C32A 116.3(5) . . ?
C34A C33A C32A 119.3(4) . . ?
O1_14 C33C C32C 117.0(5) . . ?
O1_14 C33C C34C 123.6(5) . . ?
C32C C33C C34C 119.3(4) . . ?
C33A C34A C35A 118.4(5) . . ?
C33A C34A H34A 120.8 . . ?
C35A C34A H34A 120.8 . . ?
C35C C34C C33C 117.3(5) . . ?
C35C C34C H34C 121.3 . . ?
C33C C34C H34C 121.3 . . ?
N5A C35A C34A 124.9(4) . . ?
N5A C35A C4D 116.4(4) . . ?
C34A C35A C4D 118.7(4) . . ?
N4C C35C C34C 125.8(4) . . ?
N4C C35C C13D 116.2(4) . . ?
C34C C35C C13D 118.0(4) . . ?
N5A C36A C32A 122.7(4) . . ?
N5A C36A C28A 117.4(4) . . ?
C32A C36A C28A 119.9(4) . . ?
N4C C36C C32C 122.4(4) . . ?
N4C C36C C28C 117.7(4) . . ?
C32C C36C C28C 119.8(4) . . ?
C38A C37A N4D 124.6(4) . . ?
C38A C37A C45A 120.5(4) . . ?
N4D C37A C45A 114.8(4) . . ?
C38C C37C N13D 125.4(5) . . ?
C38C C37C C45C 120.6(5) . . ?
N13D C37C C45C 113.9(4) . . ?
C37A C38A C39A 119.6(5) . . ?
C37A C38A H38A 120.2 . . ?
C39A C38A H38A 120.2 . . ?
C37C C38C C39C 117.4(6) . . ?
C37C C38C H38C 121.3 . . ?
C39C C38C H38C 121.3 . . ?
C40A C39A C38A 122.1(5) . . ?
C40A C39A H39A 118.9 . . ?
C38A C39A H39A 118.9 . . ?
C40C C39C C38C 123.3(5) . . ?
C40C C39C H39C 118.3 . . ?
C38C C39C H39C 118.3 . . ?
C39A C40A C41A 118.9(5) . . ?
C39A C40A H40A 120.5 . . ?
C41A C40A H40A 120.5 . . ?
C39C C40C C41C 119.6(5) . . ?
C39C C40C H40C 120.2 . . ?
C41C C40C H40C 120.2 . . ?
C45A C41A C40A 120.3(5) . . ?
C45A C41A C42A 116.7(4) . . ?
C40A C41A C42A 123.0(4) . . ?
C42C C41C C45C 117.1(5) . . ?
C42C C41C C40C 124.1(5) . . ?
C45C C41C C40C 118.8(6) . . ?
O1_5 C42A C43A 125.7(5) . . ?
O1_5 C42A C41A 115.0(4) . . ?
C43A C42A C41A 119.2(4) . . ?
O1_15 C42C C43C 123.8(6) . . ?
O1_15 C42C C41C 116.5(5) . . ?
C43C C42C C41C 119.6(5) . . ?
C42A C43A C44A 119.2(4) . . ?
C42A C43A H43A 120.4 . . ?
C44A C43A H43A 120.4 . . ?
C42C C43C C44C 118.4(5) . . ?
C42C C43C H43C 120.8 . . ?
C44C C43C H43C 120.8 . . ?
N6A C44A C43A 124.3(4) . . ?
N6A C44A C5D 117.3(3) . . ?
C43A C44A C5D 118.4(4) . . ?
N5C C44C C43C 125.0(5) . . ?
N5C C44C C14D 116.2(4) . . ?
C43C C44C C14D 118.8(4) . . ?
N6A C45A C41A 124.0(4) . . ?
N6A C45A C37A 117.6(4) . . ?
C41A C45A C37A 118.4(4) . . ?
N5C C45C C37C 117.0(4) . . ?
N5C C45C C41C 123.1(5) . . ?
C37C C45C C41C 119.9(4) . . ?
C47A C46A N5D 124.8(4) . . ?
C47A C46A C54A 119.8(4) . . ?
N5D C46A C54A 115.4(3) . . ?
N14D C46C C47C 124.9(4) . . ?
N14D C46C C54C 116.6(4) . . ?
C47C C46C C54C 118.5(4) . . ?
C46A C47A C48A 119.1(4) . . ?
C46A C47A H47A 120.5 . . ?
C48A C47A H47A 120.5 . . ?
C48C C47C C46C 119.8(4) . . ?
C48C C47C H47C 120.1 . . ?
C46C C47C H47C 120.1 . . ?
C49A C48A C47A 122.5(4) . . ?
C49A C48A H48A 118.8 . . ?
C47A C48A H48A 118.8 . . ?
C49C C48C C47C 122.5(4) . . ?
C49C C48C H48C 118.8 . . ?
C47C C48C H48C 118.8 . . ?
C48A C49A C50A 120.1(4) . . ?
C48A C49A H49A 120.0 . . ?
C50A C49A H49A 120.0 . . ?
C48C C49C C50C 119.4(4) . . ?
C48C C49C H49C 120.3 . . ?
C50C C49C H49C 120.3 . . ?
C49A C50A C54A 119.6(4) . . ?
C49A C50A C51A 123.4(4) . . ?
C54A C50A C51A 116.9(4) . . ?
C49C C50C C54C 119.5(4) . . ?
C49C C50C C51C 123.9(4) . . ?
C54C C50C C51C 116.6(4) . . ?
O1_6 C51A C52A 125.6(4) . . ?
O1_6 C51A C50A 115.3(4) . . ?
C52A C51A C50A 119.2(4) . . ?
O1_16 C51C C52C 125.0(4) . . ?
O1_16 C51C C50C 115.3(4) . . ?
C52C C51C C50C 119.7(4) . . ?
C51A C52A C53A 118.5(4) . . ?
C51A C52A H52A 120.8 . . ?
C53A C52A H52A 120.8 . . ?
C51C C52C C53C 118.2(4) . . ?
C51C C52C H52C 120.9 . . ?
C53C C52C H52C 120.9 . . ?
N7A C53A C52A 124.7(4) . . ?
N7A C53A C6D 117.1(3) . . ?
C52A C53A C6D 118.2(4) . . ?
N6C C53C C52C 124.9(4) . . ?
N6C C53C C15D 117.8(4) . . ?
C52C C53C C15D 117.3(4) . . ?
N7A C54A C50A 123.4(4) . . ?
N7A C54A C46A 117.8(3) . . ?
C50A C54A C46A 118.8(4) . . ?
N6C C54C C50C 123.0(4) . . ?
N6C C54C C46C 116.9(3) . . ?
C50C C54C C46C 120.1(4) . . ?
C56A C55A N6D 124.8(4) . . ?
C56A C55A C63A 119.8(4) . . ?
N6D C55A C63A 115.3(4) . . ?
C56C C55C N15D 126.0(4) . . ?
C56C C55C C63C 119.3(4) . . ?
N15D C55C C63C 114.8(4) . . ?
C55A C56A C57A 119.4(5) . . ?
C55A C56A H56A 120.3 . . ?
C57A C56A H56A 120.3 . . ?
C55C C56C C57C 120.7(5) . . ?
C55C C56C H56C 119.6 . . ?
C57C C56C H56C 119.6 . . ?
C58A C57A C56A 122.4(5) . . ?
C58A C57A H57A 118.8 . . ?
C56A C57A H57A 118.8 . . ?
C58C C57C C56C 122.0(5) . . ?
C58C C57C H57C 119.0 . . ?
C56C C57C H57C 119.0 . . ?
C57A C58A C59A 119.9(5) . . ?
C57A C58A H58A 120.0 . . ?
C59A C58A H58A 120.0 . . ?
C57C C58C C59C 119.5(4) . . ?
C57C C58C H58C 120.2 . . ?
C59C C58C H58C 120.2 . . ?
C60A C59A C63A 116.5(4) . . ?
C60A C59A C58A 124.3(4) . . ?
C63A C59A C58A 119.1(5) . . ?
C60C C59C C63C 117.1(4) . . ?
C60C C59C C58C 123.6(4) . . ?
C63C C59C C58C 119.3(4) . . ?
O1_7 C60A C61A 124.2(5) . . ?
O1_7 C60A C59A 115.3(4) . . ?
C61A C60A C59A 120.5(4) . . ?
O1_17 C60C C61C 125.7(4) . . ?
O1_17 C60C C59C 115.3(4) . . ?
C61C C60C C59C 119.0(4) . . ?
C60A C61A C62A 118.1(4) . . ?
C60A C61A H61A 121.0 . . ?
C62A C61A H61A 121.0 . . ?
C60C C61C C62C 118.8(4) . . ?
C60C C61C H61C 120.6 . . ?
C62C C61C H61C 120.6 . . ?
N8A C62A C61A 124.1(4) . . ?
N8A C62A C7D 116.6(3) . . ?
C61A C62A C7D 119.3(4) . . ?
N7C C62C C61C 124.4(4) . . ?
N7C C62C C16D 117.1(3) . . ?
C61C C62C C16D 118.4(4) . . ?
N8A C63A C59A 123.1(4) . . ?
N8A C63A C55A 117.6(4) . . ?
C59A C63A C55A 119.3(4) . . ?
N7C C63C C59C 123.5(4) . . ?
N7C C63C C55C 117.4(4) . . ?
C59C C63C C55C 119.0(4) . . ?
C65A C64A N7D 125.3(4) . . ?
C65A C64A C72A 119.6(4) . . ?
N7D C64A C72A 115.1(3) . . ?
C65C C64C N16D 125.6(4) . . ?
C65C C64C C72C 120.0(4) . . ?
N16D C64C C72C 114.4(4) . . ?
C64A C65A C66A 120.0(4) . . ?
C64A C65A H65A 120.0 . . ?
C66A C65A H65A 120.0 . . ?
C64C C65C C66C 120.6(4) . . ?
C64C C65C H65C 119.7 . . ?
C66C C65C H65C 119.7 . . ?
C67A C66A C65A 121.2(4) . . ?
C67A C66A H66A 119.4 . . ?
C65A C66A H66A 119.4 . . ?
C67C C66C C65C 121.3(4) . . ?
C67C C66C H66C 119.4 . . ?
C65C C66C H66C 119.4 . . ?
C66A C67A C68A 120.0(4) . . ?
C66A C67A H67A 120.0 . . ?
C68A C67A H67A 120.0 . . ?
C66C C67C C68C 120.3(4) . . ?
C66C C67C H67C 119.9 . . ?
C68C C67C H67C 119.9 . . ?
C67A C68A C72A 120.3(4) . . ?
C67A C68A C69A 123.4(4) . . ?
C72A C68A C69A 116.3(4) . . ?
C67C C68C C72C 120.2(4) . . ?
C67C C68C C69C 124.6(4) . . ?
C72C C68C C69C 115.1(4) . . ?
O1_8 C69A C70A 125.4(4) . . ?
O1_8 C69A C68A 115.2(4) . . ?
C70A C69A C68A 119.4(4) . . ?
C70C C69C O1_18 126.0(4) . . ?
C70C C69C C68C 120.8(4) . . ?
O1_18 C69C C68C 113.2(4) . . ?
C69A C70A C71A 117.9(4) . . ?
C69A C70A H70A 121.0 . . ?
C71A C70A H70A 121.0 . . ?
C69C C70C C71C 118.5(4) . . ?
C69C C70C H70C 120.8 . . ?
C71C C70C H70C 120.8 . . ?
N9A C71A C70A 125.0(4) . . ?
N9A C71A C8D 117.0(3) . . ?
C70A C71A C8D 118.1(3) . . ?
N8C C71C C70C 124.1(4) . . ?
N8C C71C C73C 114.5(4) . . ?
C70C C71C C73C 121.4(4) . . ?
N9A C72A C68A 123.5(3) . . ?
N9A C72A C64A 117.9(3) . . ?
C68A C72A C64A 118.6(4) . . ?
N8C C72C C68C 124.3(4) . . ?
N8C C72C C64C 118.1(3) . . ?
C68C C72C C64C 117.6(4) . . ?
O1C C73C O2C 124.1(4) . . ?
O1C C73C C71C 124.7(4) . . ?
O2C C73C C71C 111.2(4) . . ?
O1_13 C1CC C2CC 116.1(7) . . ?
C1CC C2CC C3CC 111.2(11) . . ?
C1CC C2CC C4CC 102.6(15) . . ?
C3CC C2CC C4CC 108.8(14) . . ?
C6A O1_1 C1_1 118.0(3) . . ?
O1_1 C1_1 C2_1 109.0(3) . . ?
C3_1 C2_1 C1_1 109.8(4) . . ?
C3_1 C2_1 C4_1 111.3(5) . . ?
C1_1 C2_1 C4_1 110.3(4) . . ?
C15A O1_2 C1_2 117.5(5) . . ?
O1_2 C1_2 C2_2 113.5(5) . . ?
O1_2 C1_2 C1E_2 107.7(7) . . ?
C4_2 C2_2 C3_2 114.8(7) . . ?
C4_2 C2_2 C1_2 110.2(6) . . ?
C3_2 C2_2 C1_2 110.5(7) . . ?
C3E_2 C1E_2 C2E_2 114.2(12) . . ?
C3E_2 C1E_2 C1_2 100.9(10) . . ?
C2E_2 C1E_2 C1_2 99.9(10) . . ?
C24A O1_3 C1_3 118.4(4) . . ?
O1_3 C1_3 C2_3 108.4(4) . . ?
C3_3 C2_3 C1_3 110.0(6) . . ?
C3_3 C2_3 C4_3 111.3(8) . . ?
C1_3 C2_3 C4_3 108.2(5) . . ?
C33A O1_4 C1_4 117.2(4) . . ?
O1_4 C1_4 C2_4 110.4(5) . . ?
C1_4 C2_4 C3_4 110.1(7) . . ?
C1_4 C2_4 C4_4 109.8(5) . . ?
C3_4 C2_4 C4_4 111.8(7) . . ?
C42A O1_5 C1_5 117.7(4) . . ?
O1_5 C1_5 C2_5 108.8(4) . . ?
C3_5 C2_5 C1_5 109.3(5) . . ?
C3_5 C2_5 C4_5 108.2(6) . . ?
C1_5 C2_5 C4_5 109.4(5) . . ?
C51A O1_6 C1_6 117.7(4) . . ?
O1_6 C1_6 C2_6 109.9(4) . . ?
C3_6 C2_6 C1_6 117.1(7) . . ?
C3_6 C2_6 C4_6 111.6(8) . . ?
C1_6 C2_6 C4_6 108.9(5) . . ?
C60A O1_7 C1_7 117.6(4) . . ?
O1_7 C1_7 C2_7 109.1(5) . . ?
C1_7 C2_7 C4_7 110.5(5) . . ?
C1_7 C2_7 C3_7 106.8(6) . . ?
C4_7 C2_7 C3_7 107.1(7) . . ?
C69A O1_8 C1_8 119.2(3) . . ?
O1_8 C1_8 C2_8 109.0(3) . . ?
C1_8 C2_8 C4_8 109.5(4) . . ?
C1_8 C2_8 C3_8 110.0(4) . . ?
C4_8 C2_8 C3_8 111.5(6) . . ?
C6B O1_9 C1_9 118.7(5) . . ?
O1_9 C1_9 C2_9 109.9(6) . . ?
C4_9 C2_9 C1_9 106.7(9) . . ?
C4T_9 C2_9 C1_9 108.9(12) . . ?
C4_9 C2_9 C3_9 111.2(7) . . ?
C4T_9 C2_9 C3_9 115.0(12) . . ?
C1_9 C2_9 C3_9 110.8(7) . . ?
C17B O1_10 C1_10 117.9(3) . . ?
O1_10 C1_10 C2_10 109.4(4) . . ?
C4_10 C2_10 C1_10 118.0(6) . . ?
C4_10 C2_10 C3_10 114.3(6) . . ?
C1_10 C2_10 C3_10 110.7(4) . . ?
C2_10 C3_10 C510 115.5(5) . . ?
C2_10 C4_10 C610 105.1(9) . . ?
C6C O1_11 C1_11 115.9(4) . . ?
O1_11 C1_11 C2_11 108.5(5) . . ?
C3_11 C2_11 C1_11 111.7(8) . . ?
C3_11 C2_11 C4_11 109.9(8) . . ?
C1_11 C2_11 C4_11 107.7(7) . . ?
C15C O1_12 C1_12 117.9(4) . . ?
O1_12 C1_12 C2_12 108.5(4) . . ?
C4_12 C2_12 C1_12 112.1(5) . . ?
C4_12 C2_12 C3_12 109.5(5) . . ?
C1_12 C2_12 C3_12 110.2(4) . . ?
C24C O1_13 C1_13 122.3(5) . . ?
C24C O1_13 C1CC 115.6(6) . . ?
O1_13 C1_13 C2_13 101.9(6) . . ?
C4_13 C2_13 C1_13 109.5(11) . . ?
C4_13 C2_13 C3_13 110.9(9) . . ?
C1_13 C2_13 C3_13 110.8(8) . . ?
C33C O1_14 C1_14 120.4(5) . . ?
O1_14 C1_14 C2_14 109.2(7) . . ?
C4_14 C2_14 C3_14 116.4(10) . . ?
C3_14 C2_14 C4TT_14 110.1(10) . . ?
C4_14 C2_14 C1_14 113.3(12) . . ?
C3_14 C2_14 C1_14 114.4(8) . . ?
C4TT_14 C2_14 C1_14 109.5(10) . . ?
C42C O1_15 C1_15 117.4(5) . . ?
O1_15 C1_15 C2_15 111.9(6) . . ?
C1_15 C2_15 C4_15 104.1(8) . . ?
C1_15 C2_15 C3_15 110.1(8) . . ?
C4_15 C2_15 C3_15 113.0(8) . . ?
C51C O1_16 C1_16 117.8(4) . . ?
O1_16 C1_16 C2_16 109.1(4) . . ?
C4_16 C2_16 C1_16 110.5(6) . . ?
C4_16 C2_16 C3_16 112.7(6) . . ?
C1_16 C2_16 C3_16 109.6(5) . . ?
C60C O1_17 C1_17 118.2(3) . . ?
O1_17 C1_17 C2_17 107.6(3) . . ?
C4_17 C2_17 C1_17 107.8(4) . . ?
C4_17 C2_17 C3_17 112.1(4) . . ?
C1_17 C2_17 C3_17 112.4(4) . . ?
C69C O1_18 C1_18 117.8(3) . . ?
O1_18 C1_18 C2_18 107.7(3) . . ?
C4_18 C2_18 C3_18 112.0(4) . . ?
C4_18 C2_18 C1_18 111.0(4) . . ?
C3_18 C2_18 C1_18 109.3(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6R' C1R' C2R' C3R' 0.0 . . . . ?
C6R' C1R' C2R' Cl1A 177.5(12) . . . . ?
C1R' C2R' C3R' C4R' 0.0 . . . . ?
Cl1A C2R' C3R' C4R' -177.6(12) . . . . ?
C2R' C3R' C4R' C5R' 0.0 . . . . ?
C3R' C4R' C5R' C6R' 0.0 . . . . ?
C4R' C5R' C6R' C1R' 0.0 . . . . ?
C2R' C1R' C6R' C5R' 0.0 . . . . ?
C1R C2R C3R C4R 0.0 . . . . ?
C2R C3R C4R C5R 0.0 . . . . ?
C3R C4R C5R C6R 0.0 . . . . ?
C4R C5R C6R C1R 0.0 . . . . ?
C5R C6R C1R C2R 0.0 . . . . ?
C5R C6R C1R Cl1 -175.3(7) . . . . ?
C3R C2R C1R C6R 0.0 . . . . ?
C3R C2R C1R Cl1 175.1(8) . . . . ?
O2A N1A C1A C2A 153.8(4) . . . . ?
O1A N1A C1A C2A -25.3(5) . . . . ?
O2A N1A C1A C9A -21.8(6) . . . . ?
O1A N1A C1A C9A 159.2(4) . . . . ?
C8D N8D C1B C2B -0.4(7) . . . . ?
C8D N8D C1B C9B -178.4(4) . . . . ?
C9D N9D C1C C2C -3.6(7) . . . . ?
C9D N9D C1C C9C 177.5(4) . . . . ?
C10A N1D C1D O1D -2.1(8) . . . . ?
C10A N1D C1D C8A 177.8(4) . . . . ?
C9A C1A C2A C3A 0.2(7) . . . . ?
N1A C1A C2A C3A -175.3(4) . . . . ?
N8D C1B C2B C3B -173.5(4) . . . . ?
C9B C1B C2B C3B 4.4(7) . . . . ?
N9D C1C C2C C3C -174.9(4) . . . . ?
C9C C1C C2C C3C 4.0(6) . . . . ?
C19A N2D C2D O2D -0.1(8) . . . . ?
C19A N2D C2D C17A 179.4(4) . . . . ?
C1A C2A C3A C4A 0.6(7) . . . . ?
C1B C2B C3B C4B -2.2(7) . . . . ?
C1C C2C C3C C4C -0.6(7) . . . . ?
C28A N3D C3D O3D -6.1(7) . . . . ?
C28A N3D C3D C26A 174.2(4) . . . . ?
C2A C3A C4A C5A -0.6(7) . . . . ?
C2B C3B C4B C5B -0.1(8) . . . . ?
C2C C3C C4C C5C -1.9(7) . . . . ?
C37A N4D C4D O4D -6.1(7) . . . . ?
C37A N4D C4D C35A 175.6(4) . . . . ?
C3A C4A C5A C9A -0.1(6) . . . . ?
C3A C4A C5A C6A 175.8(4) . . . . ?
C3B C4B C5B C6B 180.0(5) . . . . ?
C3B C4B C5B C9B 0.2(7) . . . . ?
C3C C4C C5C C9C 0.8(7) . . . . ?
C3C C4C C5C C6C -179.4(5) . . . . ?
C46A N5D C5D O5D -6.3(7) . . . . ?
C46A N5D C5D C44A 171.6(4) . . . . ?
C9A C5A C6A O1_1 -178.2(4) . . . . ?
C4A C5A C6A O1_1 5.8(6) . . . . ?
C9A C5A C6A C7A 2.1(6) . . . . ?
C4A C5A C6A C7A -173.9(4) . . . . ?
C4B C5B C6B O1_9 -4.7(7) . . . . ?
C9B C5B C6B O1_9 175.1(4) . . . . ?
C4B C5B C6B C7B 177.6(5) . . . . ?
C9B C5B C6B C7B -2.5(6) . . . . ?
C4C C5C C6C O1_11 -0.8(7) . . . . ?
C9C C5C C6C O1_11 179.0(4) . . . . ?
C4C C5C C6C C7C 177.4(4) . . . . ?
C9C C5C C6C C7C -2.9(6) . . . . ?
C55A N6D C6D O6D -3.4(7) . . . . ?
C55A N6D C6D C53A 175.3(4) . . . . ?
O1_1 C6A C7A C8A 174.5(4) . . . . ?
C5A C6A C7A C8A -5.9(6) . . . . ?
O1_9 C6B C7B C8B -176.0(4) . . . . ?
C5B C6B C7B C8B 1.4(7) . . . . ?
O1_11 C6C C7C C8C 177.2(4) . . . . ?
C5C C6C C7C C8C -0.7(7) . . . . ?
C64A N7D C7D O7D -5.0(7) . . . . ?
C64A N7D C7D C62A 175.4(4) . . . . ?
C9A N2A C8A C7A 2.3(6) . . . . ?
C9A N2A C8A C1D -179.7(4) . . . . ?
C6A C7A C8A N2A 4.0(7) . . . . ?
C6A C7A C8A C1D -174.0(4) . . . . ?
O1D C1D C8A N2A 168.4(4) . . . . ?
N1D C1D C8A N2A -11.4(6) . . . . ?
O1D C1D C8A C7A -13.4(7) . . . . ?
N1D C1D C8A C7A 166.8(4) . . . . ?
C9B N1B C8B C7B -1.1(6) . . . . ?
C9B N1B C8B C10B 176.6(4) . . . . ?
C6B C7B C8B N1B 0.5(7) . . . . ?
C6B C7B C8B C10B -177.3(4) . . . . ?
C9C N1C C8C C7C -1.7(6) . . . . ?
C9C N1C C8C C10D 177.1(3) . . . . ?
C6C C7C C8C N1C 3.2(6) . . . . ?
C6C C7C C8C C10D -175.5(4) . . . . ?
C1B N8D C8D O8D -8.5(7) . . . . ?
C1B N8D C8D C71A 171.8(4) . . . . ?
C8A N2A C9A C5A -6.5(5) . . . . ?
C8A N2A C9A C1A 173.1(4) . . . . ?
C6A C5A C9A N2A 4.4(6) . . . . ?
C4A C5A C9A N2A -179.5(4) . . . . ?
C6A C5A C9A C1A -175.2(4) . . . . ?
C4A C5A C9A C1A 0.9(6) . . . . ?
C2A C1A C9A N2A 179.5(4) . . . . ?
N1A C1A C9A N2A -5.2(6) . . . . ?
C2A C1A C9A C5A -0.9(6) . . . . ?
N1A C1A C9A C5A 174.4(4) . . . . ?
C8B N1B C9B C1B 179.6(4) . . . . ?
C8B N1B C9B C5B -0.2(6) . . . . ?
C2B C1B C9B N1B 175.8(4) . . . . ?
N8D C1B C9B N1B -6.0(5) . . . . ?
C2B C1B C9B C5B -4.4(6) . . . . ?
N8D C1B C9B C5B 173.7(4) . . . . ?
C6B C5B C9B N1B 2.0(6) . . . . ?
C4B C5B C9B N1B -178.2(4) . . . . ?
C6B C5B C9B C1B -177.8(4) . . . . ?
C4B C5B C9B C1B 2.1(6) . . . . ?
C8C N1C C9C C5C -2.3(6) . . . . ?
C8C N1C C9C C1C 179.4(4) . . . . ?
C4C C5C C9C N1C -175.7(4) . . . . ?
C6C C5C C9C N1C 4.6(6) . . . . ?
C4C C5C C9C C1C 2.5(6) . . . . ?
C6C C5C C9C C1C -177.2(4) . . . . ?
N9D C1C C9C N1C -7.6(5) . . . . ?
C2C C1C C9C N1C 173.4(4) . . . . ?
N9D C1C C9C C5C 174.1(3) . . . . ?
C2C C1C C9C C5C -5.0(6) . . . . ?
C1C N9D C9D O9D -5.0(7) . . . . ?
C1C N9D C9D C19B 176.6(4) . . . . ?
C1D N1D C10A C11A 1.3(8) . . . . ?
C1D N1D C10A C18A -176.5(4) . . . . ?
N1B C8B C10B C11B -4.6(6) . . . . ?
C7B C8B C10B C11B 173.3(4) . . . . ?
C10D N10D C10C C11C 0.7(7) . . . . ?
C10D N10D C10C C18C 180.0(4) . . . . ?
C10C N10D C10D O10D -9.9(7) . . . . ?
C10C N10D C10D C8C 174.6(4) . . . . ?
N1C C8C C10D O10D 168.1(4) . . . . ?
C7C C8C C10D O10D -13.1(6) . . . . ?
N1C C8C C10D N10D -16.3(5) . . . . ?
C7C C8C C10D N10D 162.6(4) . . . . ?
N1D C10A C11A C12A -178.6(5) . . . . ?
C18A C10A C11A C12A -1.0(8) . . . . ?
C8B C10B C11B C12B 176.1(4) . . . . ?
N10D C10C C11C C12C -177.0(4) . . . . ?
C18C C10C C11C C12C 3.8(7) . . . . ?
C19C N11D C11D O11D -1.2(7) . . . . ?
C19C N11D C11D C17C 177.1(4) . . . . ?
C10A C11A C12A C13A 2.6(10) . . . . ?
C10B C11B C12B C13B -5.7(7) . . . . ?
C10B C11B C12B C20B 174.9(4) . . . . ?
C10C C11C C12C C13C 1.2(8) . . . . ?
C28C N12D C12D O12D -5.2(7) . . . . ?
C28C N12D C12D C26C 176.1(4) . . . . ?
C11A C12A C13A C14A -1.6(10) . . . . ?
C20B C12B C13B C14B 1.9(7) . . . . ?
C11B C12B C13B C14B -177.5(5) . . . . ?
C11C C12C C13C C14C -4.3(8) . . . . ?
C37C N13D C13D O13D -3.1(7) . . . . ?
C37C N13D C13D C35C 176.7(4) . . . . ?
C12A C13A C14A C18A -1.0(9) . . . . ?
C12A C13A C14A C15A 178.7(6) . . . . ?
C12B C13B C14B C15B 0.7(8) . . . . ?
C12C C13C C14C C18C 2.4(7) . . . . ?
C12C C13C C14C C15C -179.1(5) . . . . ?
C46C N14D C14D O14D -4.4(7) . . . . ?
C46C N14D C14D C44C 176.9(4) . . . . ?
C18A C14A C15A O1_2 177.4(5) . . . . ?
C13A C14A C15A O1_2 -2.3(9) . . . . ?
C18A C14A C15A C16A -3.6(8) . . . . ?
C13A C14A C15A C16A 176.8(6) . . . . ?
C13B C14B C15B C16B -0.1(8) . . . . ?
C13C C14C C15C O1_12 1.9(7) . . . . ?
C18C C14C C15C O1_12 -179.6(4) . . . . ?
C13C C14C C15C C16C -179.2(5) . . . . ?
C18C C14C C15C C16C -0.7(7) . . . . ?
C55C N15D C15D O15D -7.7(8) . . . . ?
C55C N15D C15D C53C 172.5(4) . . . . ?
O1_2 C15A C16A C17A 178.4(6) . . . . ?
C14A C15A C16A C17A -0.6(9) . . . . ?
C14B C15B C16B C20B -3.3(7) . . . . ?
C14B C15B C16B C17B 179.5(5) . . . . ?
O1_12 C15C C16C C17C 175.8(4) . . . . ?
C14C C15C C16C C17C -3.0(7) . . . . ?
C64C N16D C16D O16D -1.8(6) . . . . ?
C64C N16D C16D C62C 177.0(4) . . . . ?
C18A N3A C17A C16A 0.0(7) . . . . ?
C18A N3A C17A C2D 178.3(4) . . . . ?
C15A C16A C17A N3A 2.5(8) . . . . ?
C15A C16A C17A C2D -175.8(5) . . . . ?
O2D C2D C17A N3A 164.4(5) . . . . ?
N2D C2D C17A N3A -15.1(7) . . . . ?
O2D C2D C17A C16A -17.2(7) . . . . ?
N2D C2D C17A C16A 163.3(4) . . . . ?
C20B C16B C17B O1_10 178.7(4) . . . . ?
C15B C16B C17B O1_10 -4.0(7) . . . . ?
C20B C16B C17B C18B -1.1(7) . . . . ?
C15B C16B C17B C18B 176.2(4) . . . . ?
C18C N2C C17C C16C -1.7(6) . . . . ?
C18C N2C C17C C11D 177.0(3) . . . . ?
C15C C16C C17C N2C 4.4(7) . . . . ?
C15C C16C C17C C11D -174.3(4) . . . . ?
O11D C11D C17C N2C 165.9(4) . . . . ?
N11D C11D C17C N2C -12.4(5) . . . . ?
O11D C11D C17C C16C -15.3(6) . . . . ?
N11D C11D C17C C16C 166.4(4) . . . . ?
C17A N3A C18A C14A -4.6(7) . . . . ?
C17A N3A C18A C10A 178.9(4) . . . . ?
C13A C14A C18A N3A -174.0(5) . . . . ?
C15A C14A C18A N3A 6.4(8) . . . . ?
C13A C14A C18A C10A 2.6(8) . . . . ?
C15A C14A C18A C10A -177.1(5) . . . . ?
N1D C10A C18A N3A -7.0(6) . . . . ?
C11A C10A C18A N3A 175.2(4) . . . . ?
N1D C10A C18A C14A 176.3(4) . . . . ?
C11A C10A C18A C14A -1.5(7) . . . . ?
O1_10 C17B C18B C19B 177.6(4) . . . . ?
C16B C17B C18B C19B -2.7(6) . . . . ?
C17C N2C C18C C14C -2.5(6) . . . . ?
C17C N2C C18C C10C 177.2(4) . . . . ?
C13C C14C C18C N2C -177.8(4) . . . . ?
C15C C14C C18C N2C 3.6(6) . . . . ?
C13C C14C C18C C10C 2.5(6) . . . . ?
C15C C14C C18C C10C -176.1(4) . . . . ?
C11C C10C C18C N2C 174.7(4) . . . . ?
N10D C10C C18C N2C -4.6(5) . . . . ?
C11C C10C C18C C14C -5.6(6) . . . . ?
N10D C10C C18C C14C 175.1(4) . . . . ?
C2D N2D C19A C20A -2.5(8) . . . . ?
C2D N2D C19A C27A 179.8(4) . . . . ?
C20B N2B C19B C18B -3.4(6) . . . . ?
C20B N2B C19B C9D 176.6(3) . . . . ?
C17B C18B C19B N2B 5.2(6) . . . . ?
C17B C18B C19B C9D -174.8(4) . . . . ?
O9D C9D C19B N2B 169.0(4) . . . . ?
N9D C9D C19B N2B -12.5(5) . . . . ?
O9D C9D C19B C18B -11.1(6) . . . . ?
N9D C9D C19B C18B 167.5(4) . . . . ?
C11D N11D C19C C20C -7.3(6) . . . . ?
C11D N11D C19C C27C 175.6(4) . . . . ?
N2D C19A C20A C21A -177.1(5) . . . . ?
C27A C19A C20A C21A 0.6(8) . . . . ?
C19B N2B C20B C16B -0.9(6) . . . . ?
C19B N2B C20B C12B 178.8(4) . . . . ?
C17B C16B C20B N2B 3.1(6) . . . . ?
C15B C16B C20B N2B -174.4(4) . . . . ?
C17B C16B C20B C12B -176.7(4) . . . . ?
C15B C16B C20B C12B 5.9(6) . . . . ?
C13B C12B C20B N2B 175.0(4) . . . . ?
C11B C12B C20B N2B -5.6(6) . . . . ?
C13B C12B C20B C16B -5.2(6) . . . . ?
C11B C12B C20B C16B 174.2(4) . . . . ?
N11D C19C C20C C21C -175.4(4) . . . . ?
C27C C19C C20C C21C 1.5(6) . . . . ?
C19A C20A C21A C22A 2.1(9) . . . . ?
C19C C20C C21C C22C 1.3(8) . . . . ?
C20A C21A C22A C23A -3.0(9) . . . . ?
C20C C21C C22C C23C -2.2(8) . . . . ?
C21A C22A C23A C24A 179.6(5) . . . . ?
C21A C22A C23A C27A 1.2(8) . . . . ?
C21C C22C C23C C24C -178.3(5) . . . . ?
C21C C22C C23C C27C 0.3(7) . . . . ?
C22A C23A C24A O1_3 1.8(7) . . . . ?
C27A C23A C24A O1_3 -179.7(4) . . . . ?
C22A C23A C24A C25A 178.9(5) . . . . ?
C27A C23A C24A C25A -2.7(7) . . . . ?
C22C C23C C24C C25C 178.4(5) . . . . ?
C27C C23C C24C C25C -0.3(7) . . . . ?
C22C C23C C24C O1_13 -4.0(7) . . . . ?
C27C C23C C24C O1_13 177.2(4) . . . . ?
O1_3 C24A C25A C26A 176.8(5) . . . . ?
C23A C24A C25A C26A 0.0(7) . . . . ?
O1_13 C24C C25C C26C -178.6(5) . . . . ?
C23C C24C C25C C26C -1.2(7) . . . . ?
C27A N4A C26A C25A -0.1(6) . . . . ?
C27A N4A C26A C3D 178.1(4) . . . . ?
C24A C25A C26A N4A 1.5(7) . . . . ?
C24A C25A C26A C3D -176.7(4) . . . . ?
O3D C3D C26A N4A 164.5(4) . . . . ?
N3D C3D C26A N4A -15.8(5) . . . . ?
O3D C3D C26A C25A -17.2(6) . . . . ?
N3D C3D C26A C25A 162.5(4) . . . . ?
C27C N3C C26C C25C -1.4(6) . . . . ?
C27C N3C C26C C12D 177.9(3) . . . . ?
C24C C25C C26C N3C 2.2(7) . . . . ?
C24C C25C C26C C12D -177.1(4) . . . . ?
O12D C12D C26C N3C 167.9(4) . . . . ?
N12D C12D C26C N3C -13.3(5) . . . . ?
O12D C12D C26C C25C -12.7(6) . . . . ?
N12D C12D C26C C25C 166.0(4) . . . . ?
C26A N4A C27A C23A -2.8(6) . . . . ?
C26A N4A C27A C19A 178.5(4) . . . . ?
C22A C23A C27A N4A -177.2(5) . . . . ?
C24A C23A C27A N4A 4.2(7) . . . . ?
C22A C23A C27A C19A 1.4(7) . . . . ?
C24A C23A C27A C19A -177.1(4) . . . . ?
C20A C19A C27A N4A 176.5(4) . . . . ?
N2D C19A C27A N4A -5.7(6) . . . . ?
C20A C19A C27A C23A -2.2(7) . . . . ?
N2D C19A C27A C23A 175.6(4) . . . . ?
C26C N3C C27C C23C -0.3(6) . . . . ?
C26C N3C C27C C19C 179.7(3) . . . . ?
C24C C23C C27C N3C 1.1(6) . . . . ?
C22C C23C C27C N3C -177.7(4) . . . . ?
C24C C23C C27C C19C -178.9(4) . . . . ?
C22C C23C C27C C19C 2.3(6) . . . . ?
C20C C19C C27C N3C 176.7(4) . . . . ?
N11D C19C C27C N3C -6.0(5) . . . . ?
C20C C19C C27C C23C -3.3(6) . . . . ?
N11D C19C C27C C23C 174.0(4) . . . . ?
C3D N3D C28A C29A 0.2(7) . . . . ?
C3D N3D C28A C36A 179.5(4) . . . . ?
C12D N12D C28C C29C -3.4(7) . . . . ?
C12D N12D C28C C36C 177.5(4) . . . . ?
N3D C28A C29A C30A -176.2(4) . . . . ?
C36A C28A C29A C30A 4.6(6) . . . . ?
N12D C28C C29C C30C -177.3(4) . . . . ?
C36C C28C C29C C30C 1.7(6) . . . . ?
C28A C29A C30A C31A -1.1(7) . . . . ?
C28C C29C C30C C31C 1.0(8) . . . . ?
C29A C30A C31A C32A -1.4(8) . . . . ?
C29C C30C C31C C32C -2.6(8) . . . . ?
C30A C31A C32A C36A 0.2(7) . . . . ?
C30A C31A C32A C33A -178.6(5) . . . . ?
C30C C31C C32C C33C -178.4(5) . . . . ?
C30C C31C C32C C36C 1.4(7) . . . . ?
C36A C32A C33A O1_4 178.9(4) . . . . ?
C31A C32A C33A O1_4 -2.2(7) . . . . ?
C36A C32A C33A C34A -1.7(7) . . . . ?
C31A C32A C33A C34A 177.2(5) . . . . ?
C36C C32C C33C O1_14 -179.2(4) . . . . ?
C31C C32C C33C O1_14 0.6(7) . . . . ?
C36C C32C C33C C34C -2.6(7) . . . . ?
C31C C32C C33C C34C 177.3(5) . . . . ?
O1_4 C33A C34A C35A 178.3(5) . . . . ?
C32A C33A C34A C35A -0.9(7) . . . . ?
O1_14 C33C C34C C35C 175.8(5) . . . . ?
C32C C33C C34C C35C -0.6(7) . . . . ?
C36A N5A C35A C34A -0.4(6) . . . . ?
C36A N5A C35A C4D 178.1(4) . . . . ?
C33A C34A C35A N5A 2.2(7) . . . . ?
C33A C34A C35A C4D -176.3(4) . . . . ?
O4D C4D C35A N5A 166.8(4) . . . . ?
N4D C4D C35A N5A -14.8(6) . . . . ?
O4D C4D C35A C34A -14.6(6) . . . . ?
N4D C4D C35A C34A 163.8(4) . . . . ?
C36C N4C C35C C34C -1.2(6) . . . . ?
C36C N4C C35C C13D 178.2(3) . . . . ?
C33C C34C C35C N4C 2.7(7) . . . . ?
C33C C34C C35C C13D -176.7(4) . . . . ?
O13D C13D C35C N4C 164.8(4) . . . . ?
N13D C13D C35C N4C -15.0(5) . . . . ?
O13D C13D C35C C34C -15.8(6) . . . . ?
N13D C13D C35C C34C 164.4(4) . . . . ?
C35A N5A C36A C32A -2.5(6) . . . . ?
C35A N5A C36A C28A 178.8(4) . . . . ?
C31A C32A C36A N5A -175.3(4) . . . . ?
C33A C32A C36A N5A 3.6(6) . . . . ?
C31A C32A C36A C28A 3.2(6) . . . . ?
C33A C32A C36A C28A -177.8(4) . . . . ?
C29A C28A C36A N5A 172.9(4) . . . . ?
N3D C28A C36A N5A -6.4(5) . . . . ?
C29A C28A C36A C32A -5.8(6) . . . . ?
N3D C28A C36A C32A 175.0(4) . . . . ?
C35C N4C C36C C32C -2.4(6) . . . . ?
C35C N4C C36C C28C -179.2(4) . . . . ?
C33C C32C C36C N4C 4.2(6) . . . . ?
C31C C32C C36C N4C -175.6(4) . . . . ?
C33C C32C C36C C28C -179.0(4) . . . . ?
C31C C32C C36C C28C 1.2(6) . . . . ?
N12D C28C C36C N4C -6.7(5) . . . . ?
C29C C28C C36C N4C 174.2(4) . . . . ?
N12D C28C C36C C32C 176.4(4) . . . . ?
C29C C28C C36C C32C -2.8(6) . . . . ?
C4D N4D C37A C38A -4.1(7) . . . . ?
C4D N4D C37A C45A 178.8(4) . . . . ?
C13D N13D C37C C38C -5.1(7) . . . . ?
C13D N13D C37C C45C 177.2(4) . . . . ?
N4D C37A C38A C39A -173.8(5) . . . . ?
C45A C37A C38A C39A 3.1(7) . . . . ?
N13D C37C C38C C39C -174.8(4) . . . . ?
C45C C37C C38C C39C 2.8(7) . . . . ?
C37A C38A C39A C40A -0.2(9) . . . . ?
C37C C38C C39C C40C 1.3(8) . . . . ?
C38A C39A C40A C41A -0.2(10) . . . . ?
C38C C39C C40C C41C -2.1(8) . . . . ?
C39A C40A C41A C45A -2.4(9) . . . . ?
C39A C40A C41A C42A -178.8(6) . . . . ?
C39C C40C C41C C42C -178.4(5) . . . . ?
C39C C40C C41C C45C -1.2(7) . . . . ?
C45A C41A C42A O1_5 177.9(5) . . . . ?
C40A C41A C42A O1_5 -5.6(8) . . . . ?
C45A C41A C42A C43A 1.1(7) . . . . ?
C40A C41A C42A C43A 177.6(5) . . . . ?
C45C C41C C42C O1_15 176.9(5) . . . . ?
C40C C41C C42C O1_15 -5.9(8) . . . . ?
C45C C41C C42C C43C -0.5(7) . . . . ?
C40C C41C C42C C43C 176.7(5) . . . . ?
O1_5 C42A C43A C44A -179.0(5) . . . . ?
C41A C42A C43A C44A -2.6(7) . . . . ?
O1_15 C42C C43C C44C -179.4(5) . . . . ?
C41C C42C C43C C44C -2.2(7) . . . . ?
C45A N6A C44A C43A -3.5(6) . . . . ?
C45A N6A C44A C5D 176.6(4) . . . . ?
C42A C43A C44A N6A 3.9(7) . . . . ?
C42A C43A C44A C5D -176.2(4) . . . . ?
O5D C5D C44A N6A 165.1(4) . . . . ?
N5D C5D C44A N6A -12.9(5) . . . . ?
O5D C5D C44A C43A -14.8(6) . . . . ?
N5D C5D C44A C43A 167.2(4) . . . . ?
C45C N5C C44C C43C -3.4(6) . . . . ?
C45C N5C C44C C14D 175.5(3) . . . . ?
C42C C43C C44C N5C 4.4(7) . . . . ?
C42C C43C C44C C14D -174.4(4) . . . . ?
O14D C14D C44C N5C 166.0(4) . . . . ?
N14D C14D C44C N5C -15.2(5) . . . . ?
O14D C14D C44C C43C -15.1(6) . . . . ?
N14D C14D C44C C43C 163.7(4) . . . . ?
C44A N6A C45A C41A 1.9(6) . . . . ?
C44A N6A C45A C37A 179.4(4) . . . . ?
C40A C41A C45A N6A -177.4(5) . . . . ?
C42A C41A C45A N6A -0.8(7) . . . . ?
C40A C41A C45A C37A 5.1(7) . . . . ?
C42A C41A C45A C37A -178.3(4) . . . . ?
C38A C37A C45A N6A 176.8(4) . . . . ?
N4D C37A C45A N6A -6.0(6) . . . . ?
C38A C37A C45A C41A -5.5(7) . . . . ?
N4D C37A C45A C41A 171.7(4) . . . . ?
C44C N5C C45C C37C 179.4(4) . . . . ?
C44C N5C C45C C41C 0.3(6) . . . . ?
C38C C37C C45C N5C 174.9(4) . . . . ?
N13D C37C C45C N5C -7.2(5) . . . . ?
C38C C37C C45C C41C -6.0(6) . . . . ?
N13D C37C C45C C41C 171.8(4) . . . . ?
C42C C41C C45C N5C 1.5(7) . . . . ?
C40C C41C C45C N5C -175.9(4) . . . . ?
C42C C41C C45C C37C -177.5(4) . . . . ?
C40C C41C C45C C37C 5.1(6) . . . . ?
C5D N5D C46A C47A -2.4(7) . . . . ?
C5D N5D C46A C54A -179.9(4) . . . . ?
C14D N14D C46C C47C -0.7(7) . . . . ?
C14D N14D C46C C54C -179.9(4) . . . . ?
N5D C46A C47A C48A -174.0(4) . . . . ?
C54A C46A C47A C48A 3.3(6) . . . . ?
N14D C46C C47C C48C -176.4(4) . . . . ?
C54C C46C C47C C48C 2.7(6) . . . . ?
C46A C47A C48A C49A 0.4(8) . . . . ?
C46C C47C C48C C49C 0.7(7) . . . . ?
C47A C48A C49A C50A -2.7(8) . . . . ?
C47C C48C C49C C50C -1.6(8) . . . . ?
C48A C49A C50A C54A 1.1(7) . . . . ?
C48A C49A C50A C51A 179.4(5) . . . . ?
C48C C49C C50C C54C -1.1(7) . . . . ?
C48C C49C C50C C51C 179.1(5) . . . . ?
C49A C50A C51A O1_6 -1.5(7) . . . . ?
C54A C50A C51A O1_6 176.8(4) . . . . ?
C49A C50A C51A C52A 177.1(4) . . . . ?
C54A C50A C51A C52A -4.6(6) . . . . ?
C49C C50C C51C O1_16 -3.1(7) . . . . ?
C54C C50C C51C O1_16 177.1(4) . . . . ?
C49C C50C C51C C52C 177.4(5) . . . . ?
C54C C50C C51C C52C -2.4(6) . . . . ?
O1_6 C51A C52A C53A -178.8(4) . . . . ?
C50A C51A C52A C53A 2.8(6) . . . . ?
O1_16 C51C C52C C53C 178.2(4) . . . . ?
C50C C51C C52C C53C -2.4(6) . . . . ?
C54A N7A C53A C52A -1.6(6) . . . . ?
C54A N7A C53A C6D 178.3(3) . . . . ?
C51A C52A C53A N7A 0.4(6) . . . . ?
C51A C52A C53A C6D -179.4(4) . . . . ?
O6D C6D C53A N7A 167.3(4) . . . . ?
N6D C6D C53A N7A -11.4(5) . . . . ?
O6D C6D C53A C52A -12.8(6) . . . . ?
N6D C6D C53A C52A 168.5(4) . . . . ?
C54C N6C C53C C52C -4.2(6) . . . . ?
C54C N6C C53C C15D 175.1(4) . . . . ?
C51C C52C C53C N6C 6.0(7) . . . . ?
C51C C52C C53C C15D -173.3(4) . . . . ?
O15D C15D C53C N6C 166.3(4) . . . . ?
N15D C15D C53C N6C -13.9(6) . . . . ?
O15D C15D C53C C52C -14.3(6) . . . . ?
N15D C15D C53C C52C 165.4(4) . . . . ?
C53A N7A C54A C50A -0.6(6) . . . . ?
C53A N7A C54A C46A 178.9(4) . . . . ?
C49A C50A C54A N7A -178.0(4) . . . . ?
C51A C50A C54A N7A 3.6(6) . . . . ?
C49A C50A C54A C46A 2.5(6) . . . . ?
C51A C50A C54A C46A -175.9(4) . . . . ?
C47A C46A C54A N7A 175.8(4) . . . . ?
N5D C46A C54A N7A -6.6(5) . . . . ?
C47A C46A C54A C50A -4.7(6) . . . . ?
N5D C46A C54A C50A 172.9(4) . . . . ?
C53C N6C C54C C50C -1.3(6) . . . . ?
C53C N6C C54C C46C 178.8(4) . . . . ?
C49C C50C C54C N6C -175.4(4) . . . . ?
C51C C50C C54C N6C 4.5(6) . . . . ?
C49C C50C C54C C46C 4.5(6) . . . . ?
C51C C50C C54C C46C -175.6(4) . . . . ?
N14D C46C C54C N6C -6.2(5) . . . . ?
C47C C46C C54C N6C 174.6(4) . . . . ?
N14D C46C C54C C50C 173.9(4) . . . . ?
C47C C46C C54C C50C -5.3(6) . . . . ?
C6D N6D C55A C56A -5.1(7) . . . . ?
C6D N6D C55A C63A 177.3(4) . . . . ?
C15D N15D C55C C56C 0.8(8) . . . . ?
C15D N15D C55C C63C -177.8(4) . . . . ?
N6D C55A C56A C57A -177.6(4) . . . . ?
C63A C55A C56A C57A -0.1(7) . . . . ?
N15D C55C C56C C57C -175.1(4) . . . . ?
C63C C55C C56C C57C 3.5(7) . . . . ?
C55A C56A C57A C58A 2.3(8) . . . . ?
C55C C56C C57C C58C 0.2(7) . . . . ?
C56A C57A C58A C59A -2.4(8) . . . . ?
C56C C57C C58C C59C -2.3(7) . . . . ?
C57A C58A C59A C60A 179.4(5) . . . . ?
C57A C58A C59A C63A 0.3(7) . . . . ?
C57C C58C C59C C60C -177.3(5) . . . . ?
C57C C58C C59C C63C 0.8(7) . . . . ?
C63A C59A C60A O1_7 -180.0(4) . . . . ?
C58A C59A C60A O1_7 0.9(7) . . . . ?
C63A C59A C60A C61A -1.2(7) . . . . ?
C58A C59A C60A C61A 179.7(5) . . . . ?
C63C C59C C60C O1_17 176.6(4) . . . . ?
C58C C59C C60C O1_17 -5.3(6) . . . . ?
C63C C59C C60C C61C -3.8(6) . . . . ?
C58C C59C C60C C61C 174.3(4) . . . . ?
O1_7 C60A C61A C62A 175.6(4) . . . . ?
C59A C60A C61A C62A -3.1(7) . . . . ?
O1_17 C60C C61C C62C -177.6(4) . . . . ?
C59C C60C C61C C62C 2.9(6) . . . . ?
C63A N8A C62A C61A -2.0(6) . . . . ?
C63A N8A C62A C7D 175.9(4) . . . . ?
C60A C61A C62A N8A 4.9(7) . . . . ?
C60A C61A C62A C7D -173.0(4) . . . . ?
O7D C7D C62A N8A 165.3(4) . . . . ?
N7D C7D C62A N8A -15.2(5) . . . . ?
O7D C7D C62A C61A -16.7(6) . . . . ?
N7D C7D C62A C61A 162.9(4) . . . . ?
C63C N7C C62C C61C -1.9(6) . . . . ?
C63C N7C C62C C16D 177.1(3) . . . . ?
C60C C61C C62C N7C 0.1(6) . . . . ?
C60C C61C C62C C16D -178.9(4) . . . . ?
O16D C16D C62C N7C 168.7(4) . . . . ?
N16D C16D C62C N7C -10.1(5) . . . . ?
O16D C16D C62C C61C -12.2(5) . . . . ?
N16D C16D C62C C61C 169.0(3) . . . . ?
C62A N8A C63A C59A -2.7(6) . . . . ?
C62A N8A C63A C55A 178.9(4) . . . . ?
C60A C59A C63A N8A 4.2(6) . . . . ?
C58A C59A C63A N8A -176.6(4) . . . . ?
C60A C59A C63A C55A -177.4(4) . . . . ?
C58A C59A C63A C55A 1.8(6) . . . . ?
C56A C55A C63A N8A 176.6(4) . . . . ?
N6D C55A C63A N8A -5.7(5) . . . . ?
C56A C55A C63A C59A -1.9(6) . . . . ?
N6D C55A C63A C59A 175.8(4) . . . . ?
C62C N7C C63C C59C 0.8(6) . . . . ?
C62C N7C C63C C55C -178.2(3) . . . . ?
C60C C59C C63C N7C 2.0(6) . . . . ?
C58C C59C C63C N7C -176.1(4) . . . . ?
C60C C59C C63C C55C -179.0(4) . . . . ?
C58C C59C C63C C55C 2.8(6) . . . . ?
C56C C55C C63C N7C 174.1(4) . . . . ?
N15D C55C C63C N7C -7.1(5) . . . . ?
C56C C55C C63C C59C -4.9(6) . . . . ?
N15D C55C C63C C59C 173.9(4) . . . . ?
C7D N7D C64A C65A -1.7(7) . . . . ?
C7D N7D C64A C72A 179.8(4) . . . . ?
C16D N16D C64C C65C -11.3(7) . . . . ?
C16D N16D C64C C72C 168.8(4) . . . . ?
N7D C64A C65A C66A -174.5(4) . . . . ?
C72A C64A C65A C66A 3.9(6) . . . . ?
N16D C64C C65C C66C -176.5(4) . . . . ?
C72C C64C C65C C66C 3.4(7) . . . . ?
C64A C65A C66A C67A -0.3(7) . . . . ?
C64C C65C C66C C67C -1.7(7) . . . . ?
C65A C66A C67A C68A -0.5(7) . . . . ?
C65C C66C C67C C68C 0.2(8) . . . . ?
C66A C67A C68A C72A -2.5(7) . . . . ?
C66A C67A C68A C69A 175.9(4) . . . . ?
C66C C67C C68C C72C -0.5(7) . . . . ?
C66C C67C C68C C69C -179.0(5) . . . . ?
C67A C68A C69A O1_8 -2.9(6) . . . . ?
C72A C68A C69A O1_8 175.5(4) . . . . ?
C67A C68A C69A C70A 176.1(4) . . . . ?
C72A C68A C69A C70A -5.5(6) . . . . ?
C67C C68C C69C C70C 178.9(5) . . . . ?
C72C C68C C69C C70C 0.3(7) . . . . ?
C67C C68C C69C O1_18 -1.9(7) . . . . ?
C72C C68C C69C O1_18 179.4(4) . . . . ?
O1_8 C69A C70A C71A 179.5(4) . . . . ?
C68A C69A C70A C71A 0.7(6) . . . . ?
O1_18 C69C C70C C71C -178.9(5) . . . . ?
C68C C69C C70C C71C 0.1(7) . . . . ?
C72A N9A C71A C70A -2.7(6) . . . . ?
C72A N9A C71A C8D 177.2(3) . . . . ?
C69A C70A C71A N9A 3.7(6) . . . . ?
C69A C70A C71A C8D -176.1(4) . . . . ?
O8D C8D C71A N9A 168.6(4) . . . . ?
N8D C8D C71A N9A -11.7(5) . . . . ?
O8D C8D C71A C70A -11.5(6) . . . . ?
N8D C8D C71A C70A 168.2(4) . . . . ?
C72C N8C C71C C70C -0.4(6) . . . . ?
C72C N8C C71C C73C 178.1(4) . . . . ?
C69C C70C C71C N8C -0.1(7) . . . . ?
C69C C70C C71C C73C -178.5(4) . . . . ?
C71A N9A C72A C68A -3.0(6) . . . . ?
C71A N9A C72A C64A 176.3(4) . . . . ?
C67A C68A C72A N9A -174.6(4) . . . . ?
C69A C68A C72A N9A 6.9(6) . . . . ?
C67A C68A C72A C64A 6.1(6) . . . . ?
C69A C68A C72A C64A -172.4(4) . . . . ?
C65A C64A C72A N9A 173.9(4) . . . . ?
N7D C64A C72A N9A -7.5(5) . . . . ?
C65A C64A C72A C68A -6.8(6) . . . . ?
N7D C64A C72A C68A 171.8(4) . . . . ?
C71C N8C C72C C68C 0.8(6) . . . . ?
C71C N8C C72C C64C 179.3(4) . . . . ?
C67C C68C C72C N8C -179.5(4) . . . . ?
C69C C68C C72C N8C -0.8(7) . . . . ?
C67C C68C C72C C64C 2.0(7) . . . . ?
C69C C68C C72C C64C -179.3(4) . . . . ?
C65C C64C C72C N8C 178.0(4) . . . . ?
N16D C64C C72C N8C -2.1(6) . . . . ?
C65C C64C C72C C68C -3.5(6) . . . . ?
N16D C64C C72C C68C 176.4(4) . . . . ?
C74C O2C C73C O1C -2.0(7) . . . . ?
C74C O2C C73C C71C 178.6(4) . . . . ?
N8C C71C C73C O1C -3.7(6) . . . . ?
C70C C71C C73C O1C 174.9(4) . . . . ?
N8C C71C C73C O2C 175.7(4) . . . . ?
C70C C71C C73C O2C -5.8(6) . . . . ?
O1_13 C1CC C2CC C3CC 164.0(13) . . . . ?
O1_13 C1CC C2CC C4CC -79.8(16) . . . . ?
C7A C6A O1_1 C1_1 7.0(6) . . . . ?
C5A C6A O1_1 C1_1 -172.7(4) . . . . ?
C6A O1_1 C1_1 C2_1 -166.5(4) . . . . ?
O1_1 C1_1 C2_1 C3_1 -165.1(4) . . . . ?
O1_1 C1_1 C2_1 C4_1 71.9(6) . . . . ?
C16A C15A O1_2 C1_2 -0.6(10) . . . . ?
C14A C15A O1_2 C1_2 178.4(6) . . . . ?
C15A O1_2 C1_2 C2_2 167.2(7) . . . . ?
C15A O1_2 C1_2 C1E_2 -156.6(8) . . . . ?
O1_2 C1_2 C2_2 C4_2 178.0(8) . . . . ?
O1_2 C1_2 C2_2 C3_2 50.0(10) . . . . ?
O1_2 C1_2 C1E_2 C3E_2 -175.7(9) . . . . ?
O1_2 C1_2 C1E_2 C2E_2 -58.4(10) . . . . ?
C25A C24A O1_3 C1_3 1.5(8) . . . . ?
C23A C24A O1_3 C1_3 178.4(5) . . . . ?
C24A O1_3 C1_3 C2_3 174.7(5) . . . . ?
O1_3 C1_3 C2_3 C3_3 64.3(8) . . . . ?
O1_3 C1_3 C2_3 C4_3 -173.9(8) . . . . ?
C34A C33A O1_4 C1_4 1.3(8) . . . . ?
C32A C33A O1_4 C1_4 -179.4(5) . . . . ?
C33A O1_4 C1_4 C2_4 179.0(6) . . . . ?
O1_4 C1_4 C2_4 C3_4 -59.4(9) . . . . ?
O1_4 C1_4 C2_4 C4_4 177.1(6) . . . . ?
C43A C42A O1_5 C1_5 1.9(8) . . . . ?
C41A C42A O1_5 C1_5 -174.7(5) . . . . ?
C42A O1_5 C1_5 C2_5 171.6(6) . . . . ?
O1_5 C1_5 C2_5 C3_5 -64.0(9) . . . . ?
O1_5 C1_5 C2_5 C4_5 177.7(6) . . . . ?
C52A C51A O1_6 C1_6 7.4(7) . . . . ?
C50A C51A O1_6 C1_6 -174.1(4) . . . . ?
C51A O1_6 C1_6 C2_6 160.3(7) . . . . ?
O1_6 C1_6 C2_6 C3_6 46.2(11) . . . . ?
O1_6 C1_6 C2_6 C4_6 173.9(9) . . . . ?
C61A C60A O1_7 C1_7 11.0(8) . . . . ?
C59A C60A O1_7 C1_7 -170.2(5) . . . . ?
C60A O1_7 C1_7 C2_7 178.5(5) . . . . ?
O1_7 C1_7 C2_7 C4_7 -171.4(7) . . . . ?
O1_7 C1_7 C2_7 C3_7 72.4(8) . . . . ?
C70A C69A O1_8 C1_8 8.7(7) . . . . ?
C68A C69A O1_8 C1_8 -172.4(4) . . . . ?
C69A O1_8 C1_8 C2_8 165.8(4) . . . . ?
O1_8 C1_8 C2_8 C4_8 -61.1(6) . . . . ?
O1_8 C1_8 C2_8 C3_8 176.1(6) . . . . ?
C7B C6B O1_9 C1_9 5.7(8) . . . . ?
C5B C6B O1_9 C1_9 -171.8(6) . . . . ?
C6B O1_9 C1_9 C2_9 170.7(5) . . . . ?
O1_9 C1_9 C2_9 C4_9 -64.5(10) . . . . ?
O1_9 C1_9 C2_9 C4T_9 -176.0(12) . . . . ?
O1_9 C1_9 C2_9 C3_9 56.6(9) . . . . ?
C18B C17B O1_10 C1_10 -5.0(7) . . . . ?
C16B C17B O1_10 C1_10 175.2(4) . . . . ?
C17B O1_10 C1_10 C2_10 -175.8(4) . . . . ?
O1_10 C1_10 C2_10 C4_10 -48.5(7) . . . . ?
O1_10 C1_10 C2_10 C3_10 177.1(5) . . . . ?
C4_10 C2_10 C3_10 C510 49.3(9) . . . . ?
C1_10 C2_10 C3_10 C510 -174.5(6) . . . . ?
C1_10 C2_10 C4_10 C610 -67.5(11) . . . . ?
C3_10 C2_10 C4_10 C610 65.3(11) . . . . ?
C7C C6C O1_11 C1_11 -3.7(8) . . . . ?
C5C C6C O1_11 C1_11 174.4(5) . . . . ?
C6C O1_11 C1_11 C2_11 179.7(5) . . . . ?
O1_11 C1_11 C2_11 C3_11 175.1(8) . . . . ?
O1_11 C1_11 C2_11 C4_11 -64.1(9) . . . . ?
C16C C15C O1_12 C1_12 -2.7(7) . . . . ?
C14C C15C O1_12 C1_12 176.2(5) . . . . ?
C15C O1_12 C1_12 C2_12 -172.7(5) . . . . ?
O1_12 C1_12 C2_12 C4_12 -60.5(7) . . . . ?
O1_12 C1_12 C2_12 C3_12 177.4(6) . . . . ?
C25C C24C O1_13 C1_13 -20.4(9) . . . . ?
C23C C24C O1_13 C1_13 162.1(5) . . . . ?
C25C C24C O1_13 C1CC 12.0(10) . . . . ?
C23C C24C O1_13 C1CC -165.4(8) . . . . ?
C2CC C1CC O1_13 C24C 163.7(10) . . . . ?
C24C O1_13 C1_13 C2_13 94.6(8) . . . . ?
O1_13 C1_13 C2_13 C4_13 58.6(11) . . . . ?
O1_13 C1_13 C2_13 C3_13 -178.8(8) . . . . ?
C32C C33C O1_14 C1_14 168.0(6) . . . . ?
C34C C33C O1_14 C1_14 -8.5(9) . . . . ?
C33C O1_14 C1_14 C2_14 -154.9(6) . . . . ?
O1_14 C1_14 C2_14 C4_14 -169.5(13) . . . . ?
O1_14 C1_14 C2_14 C3_14 53.8(11) . . . . ?
O1_14 C1_14 C2_14 C4TT_14 -70.3(12) . . . . ?
C43C C42C O1_15 C1_15 -2.8(9) . . . . ?
C41C C42C O1_15 C1_15 180.0(6) . . . . ?
C42C O1_15 C1_15 C2_15 -177.9(6) . . . . ?
O1_15 C1_15 C2_15 C4_15 -55.9(9) . . . . ?
O1_15 C1_15 C2_15 C3_15 -177.3(8) . . . . ?
C52C C51C O1_16 C1_16 5.3(7) . . . . ?
C50C C51C O1_16 C1_16 -174.1(4) . . . . ?
C51C O1_16 C1_16 C2_16 180.0(4) . . . . ?
O1_16 C1_16 C2_16 C4_16 -55.1(7) . . . . ?
O1_16 C1_16 C2_16 C3_16 -179.9(5) . . . . ?
C61C C60C O1_17 C1_17 -6.7(6) . . . . ?
C59C C60C O1_17 C1_17 172.9(4) . . . . ?
C60C O1_17 C1_17 C2_17 176.7(4) . . . . ?
O1_17 C1_17 C2_17 C4_17 -177.0(4) . . . . ?
O1_17 C1_17 C2_17 C3_17 59.0(6) . . . . ?
C70C C69C O1_18 C1_18 4.7(7) . . . . ?
C68C C69C O1_18 C1_18 -174.4(4) . . . . ?
C69C O1_18 C1_18 C2_18 -179.6(4) . . . . ?
O1_18 C1_18 C2_18 C4_18 -55.7(6) . . . . ?
O1_18 C1_18 C2_18 C3_18 -179.8(4) . . . . ?

_refine_diff_density_max         1.106
_refine_diff_density_min         -1.125
_refine_diff_density_rms         0.145




