####################################################################### 
# 
# 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_6
_audit_block_doi                 10.5517/ccdc.csd.cc25m02x
_database_code_depnum_ccdc_archive 'CCDC 2014258'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1002/chem.202004064 2020
loop_
_audit_author_name
_audit_author_address
'Barbara Wicher'
;Poznan Univeristy of Medical Sciences
Poland
;
_audit_update_record             
;
2020-07-06 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         'C181 H168 N28 O30, O10'
_chemical_formula_sum            'C181 H168 N28 O40'
_chemical_formula_weight         3375.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0052 0.0023 '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 0.0094 0.0046 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0163 0.0086 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   24.3711(4)
_cell_length_b                   29.8647(5)
_cell_length_c                   30.6603(5)
_cell_angle_alpha                90.8687(13)
_cell_angle_beta                 109.1301(15)
_cell_angle_gamma                92.4688(13)
_cell_volume                     21053.7(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    25951
_cell_measurement_theta_min      1.60
_cell_measurement_theta_max      29.22

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.065
_exptl_crystal_F_000             7080
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    0.110
_shelx_estimated_absorpt_T_min   0.989
_shelx_estimated_absorpt_T_max   0.999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.774
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.57a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.827
_diffrn_radiation_type           synchrotron
_diffrn_source                   synchrotron
_diffrn_measurement_device_type  'Hybrid Pixel Array Detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            172651
_diffrn_reflns_av_unetI/netI     0.0822
_diffrn_reflns_av_R_equivalents  0.0619
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.589
_diffrn_reflns_theta_max         24.424
_diffrn_reflns_theta_full        24.424
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.973
_reflns_number_total             42903
_reflns_number_gt                21626
_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       'P13 beamline, EMBL, Hamburg, Germany'
_computing_cell_refinement       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         42903
_refine_ls_number_parameters     2250
_refine_ls_number_restraints     329
_refine_ls_R_factor_all          0.3046
_refine_ls_R_factor_gt           0.2707
_refine_ls_wR_factor_ref         0.6491
_refine_ls_wR_factor_gt          0.6074
_refine_ls_goodness_of_fit_ref   2.359
_refine_ls_restrained_S_all      2.365
_refine_ls_shift/su_max          0.095
_refine_ls_shift/su_mean         0.001

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
C4C C 1.1802(9) -0.0212(6) 0.6295(8) 0.272(8) Uiso 1 1 d D . . . .
O6F O 0.3765(12) 0.4437(8) 0.4945(7) 0.444(8) Uiso 1 1 d D . . . .
O5F O 0.4347(9) 0.4721(8) 0.6191(5) 0.444(8) Uiso 1 1 d D . . . .
C16F C 0.4030(14) 0.4692(11) 0.5332(6) 0.444(8) Uiso 1 1 d D . . . .
C15F C 0.3901(10) 0.4607(13) 0.5753(6) 0.444(8) Uiso 1 1 d D . . . .
C36C C 0.4171(12) 0.0044(13) 0.7474(13) 0.714(15) Uiso 1 1 d D . . . .
C37C C 0.3813(11) -0.0129(11) 0.7736(11) 0.714(15) Uiso 1 1 d DG . . . .
C38C C 0.3599(16) 0.0160(9) 0.7994(13) 0.714(15) Uiso 1 1 d DG . . . .
C39C C 0.3392(19) -0.0008(10) 0.8334(12) 0.714(15) Uiso 1 1 d DG . . . .
C40C C 0.3398(18) -0.0465(11) 0.8415(11) 0.714(15) Uiso 1 1 d DG . . . .
C41C C 0.361(2) -0.0754(9) 0.8156(14) 0.714(15) Uiso 1 1 d DG . . . .
C42C C 0.3819(17) -0.0586(10) 0.7817(14) 0.714(15) Uiso 1 1 d DG . . . .
O10C O 0.325(2) -0.0643(13) 0.8804(12) 0.714(15) Uiso 1 1 d D . . . .
C48C C 0.7113(8) 0.0748(7) 0.4427(7) 0.271(4) Uiso 1 1 d D . . . .
C49C C 0.6071(9) 0.0601(7) 0.4007(7) 0.271(4) Uiso 1 1 d D . . . .
C25C C 0.5956(10) -0.1015(7) 0.8982(8) 0.298(4) Uiso 1 1 d D . . . .
C26C C 0.5521(10) -0.0664(8) 0.8943(8) 0.298(4) Uiso 1 1 d D . . . .
C47C C 0.6535(8) 0.0610(6) 0.4472(7) 0.271(4) Uiso 1 1 d D . . . .
C3C C 1.2423(10) -0.0830(6) 0.6644(8) 0.305(10) Uiso 1 1 d D . . . .
C22F C 0.0608(8) 0.2900(6) 0.5894(7) 0.267(3) Uiso 1 1 d D . . . .
C43C C 0.79165(9) 0.33208(9) 0.7178(4) 0.311(7) Uiso 1 1 d D . . . .
C18F C 0.2415(14) 0.4031(8) 0.9842(11) 0.382(15) Uiso 1 1 d D . . . .
C46C C 0.6445(7) 0.1038(6) 0.4696(7) 0.271(4) Uiso 1 1 d D . . . .
C50C C 0.48129(10) 0.15615(14) 0.82625(17) 0.48(2) Uiso 1 1 d D . . . .
N3C N 0.5034(16) 0.1181(8) 0.8543(11) 0.52(2) Uiso 1 1 d D . . . .
O1B O 1.2392(4) -0.1112(4) 0.9379(4) 0.241(5) Uani 1 1 d D . . . .
O1C O 1.1542(4) -0.0661(3) 0.7040(3) 0.177(3) Uiso 1 1 d D . . . .
O2B O 1.2761(4) -0.0538(4) 0.9855(3) 0.223(4) Uani 1 1 d D . . . .
O2C O 0.8494(6) -0.2121(4) 0.9071(4) 0.255(5) Uani 1 1 d . . . . .
O3B O 1.2043(5) -0.0248(4) 0.8740(3) 0.191(4) Uani 1 1 d . . . . .
O4B O 0.9152(4) -0.2018(3) 0.7608(3) 0.185(3) Uani 1 1 d D . . . .
O5B O 1.0295(3) 0.0112(2) 0.9471(2) 0.162(2) Uani 1 1 d . . . . .
O5C O 0.7751(4) -0.1873(3) 0.6689(3) 0.182(3) Uiso 1 1 d . . . . .
O6B O 0.9278(3) -0.0630(2) 0.6667(3) 0.157(2) Uani 1 1 d . . . . .
O6C O 0.7421(5) -0.2688(4) 0.6312(4) 0.229(4) Uiso 1 1 d . . . . .
O7B O 0.8060(4) -0.0528(3) 0.8931(3) 0.184(3) Uani 1 1 d . . . . .
O7C O 0.7336(6) -0.2430(4) 0.5645(5) 0.260(5) Uiso 1 1 d . . . . .
O8B O 0.9436(4) 0.1031(3) 0.7253(3) 0.164(3) Uani 1 1 d . . . . .
O8C O 0.8617(4) 0.0066(3) 0.5755(3) 0.186(3) Uiso 1 1 d . . . . .
O9B O 0.6635(4) -0.0755(4) 0.7081(3) 0.205(4) Uani 1 1 d D . . . .
O9C O 0.6460(7) -0.0434(6) 0.8707(6) 0.298(4) Uiso 1 1 d D . . . .
O10B O 0.8236(4) 0.1663(3) 0.8378(3) 0.220(4) Uani 1 1 d . . . . .
O11B O 0.6759(4) 0.0466(3) 0.5743(3) 0.176(3) Uani 1 1 d . . . . .
O12B O 0.6084(4) 0.1141(5) 0.8147(3) 0.327(9) Uani 1 1 d D . . . .
O13B O 0.6865(8) 0.2249(6) 0.5985(6) 0.300(9) Uani 1 1 d . . . . .
O14B O 0.42742(12) 0.07978(10) 0.65877(17) 0.307(9) Uani 1 1 d . . . . .
O15B O 0.6147(12) 0.3373(6) 0.6938(7) 0.457(13) Uiso 1 1 d D . . . .
O16B O 0.5389(10) 0.2589(6) 0.5992(7) 0.393(10) Uiso 1 1 d D . . . .
N1B N 1.1416(4) -0.0669(4) 0.8963(3) 0.168(4) Uani 1 1 d . . . . .
N2B N 0.9898(5) -0.1457(4) 0.7878(3) 0.154(4) Uani 1 1 d . . . . .
N3B N 0.9886(4) -0.0480(3) 0.8960(3) 0.149(3) Uani 1 1 d . . . . .
N4B N 0.9553(4) -0.0373(3) 0.7437(2) 0.133(3) Uani 1 1 d . . . . .
N5B N 0.8356(4) -0.0548(4) 0.8269(3) 0.161(3) Uani 1 1 d D . . . .
N6B N 0.8955(4) 0.0648(3) 0.7716(3) 0.163(3) Uani 1 1 d . . . . .
N7B N 0.7340(4) -0.0216(4) 0.7087(4) 0.166(3) Uani 1 1 d D . . . .
N8B N 0.7689(6) 0.1003(5) 0.8000(5) 0.175(4) Uani 1 1 d . . . . .
N9A N 0.62621(11) 0.05502(10) 0.66951(14) 0.189(4) Uani 1 1 d G U . . .
C73A C 0.62976(12) 0.03547(16) 0.62916(14) 0.185(4) Uani 1 1 d DG U . . .
C74A C 0.59507(13) -0.0026(2) 0.60952(19) 0.197(5) Uani 1 1 d G U . . .
C75A C 0.55683(14) -0.02111(16) 0.6302(2) 0.238(6) Uani 1 1 d G U . . .
C76A C 0.55328(13) -0.00155(10) 0.6706(2) 0.271(8) Uani 1 1 d G U . . .
C81A C 0.58797(11) 0.03651(12) 0.69024(14) 0.232(6) Uani 1 1 d G U . . .
C80A C 0.58442(11) 0.0561(2) 0.73059(14) 0.247(7) Uani 1 1 d DG U . . .
C79A C 0.54618(12) 0.0376(3) 0.75132(14) 0.296(11) Uani 1 1 d DG U . . .
C78A C 0.51149(14) -0.0005(2) 0.7317(2) 0.300(11) Uani 1 1 d DG U . . .
C77A C 0.51504(15) -0.02006(12) 0.6913(2) 0.316(10) Uani 1 1 d DG U . . .
N9B N 0.7123(5) 0.0849(4) 0.6456(3) 0.165(3) Uani 1 1 d . . . . .
N10B N 0.6159(4) 0.0992(2) 0.7425(3) 0.240(6) Uani 1 1 d D . . . .
N11B N 0.6642(7) 0.1961(5) 0.6585(8) 0.286(10) Uani 1 1 d . . . . .
N12A N 0.50880(8) 0.18447(8) 0.70001(14) 0.411(9) Uani 1 1 d G . . . .
C1AA C 0.47917(9) 0.14495(8) 0.70458(15) 0.411(9) Uani 1 1 d G . . . .
C2AA C 0.47037(10) 0.13598(10) 0.74621(16) 0.411(9) Uani 1 1 d DG . . . .
C3AA C 0.49121(9) 0.16653(12) 0.78328(15) 0.411(9) Uani 1 1 d DG . . . .
C4AA C 0.52084(9) 0.20605(11) 0.77871(14) 0.411(9) Uani 1 1 d DG . . . .
C9AA C 0.52964(9) 0.21502(9) 0.73707(15) 0.411(9) Uani 1 1 d G . . . .
C8AA C 0.55928(12) 0.25453(9) 0.73250(17) 0.411(9) Uani 1 1 d DG . . . .
C7AA C 0.58012(15) 0.28508(11) 0.76956(19) 0.411(9) Uani 1 1 d G . . . .
C6AA C 0.57132(15) 0.27612(14) 0.81120(18) 0.411(9) Uani 1 1 d G . . . .
C5AA C 0.54168(12) 0.23660(15) 0.81577(16) 0.411(9) Uani 1 1 d G . . . .
N12B N 0.49689(7) 0.12206(6) 0.63626(9) 0.213(5) Uani 1 1 d D . . . .
N13B N 0.5650(8) 0.2655(5) 0.6899(3) 0.311(8) Uiso 1 1 d D . . . .
C1B C 1.2307(5) -0.0739(5) 0.9562(4) 0.201(6) Uani 1 1 d D . . . .
C1C C 1.2063(5) -0.0376(4) 0.7116(5) 0.200(5) Uiso 1 1 d D . . . .
C2B C 1.1736(5) -0.0607(4) 0.9468(4) 0.166(5) Uani 1 1 d D . . . .
C2C C 1.2312(8) -0.0351(5) 0.6729(5) 0.234(6) Uiso 1 1 d D . . . .
C3B C 1.1418(6) -0.0931(5) 0.9692(4) 0.181(5) Uani 1 1 d D . . . .
C4B C 1.1739(5) -0.0117(4) 0.9633(3) 0.171(4) Uani 1 1 d D . . . .
C5B C 1.1633(7) -0.0523(6) 0.8652(5) 0.163(5) Uani 1 1 d . . . . .
C5C C 0.8097(15) -0.2516(12) 0.8825(12) 0.373(14) Uiso 1 1 d . . . . .
C6B C 0.9452(6) -0.1725(3) 0.7892(3) 0.168(6) Uani 1 1 d D . . . .
C7B C 1.0150(5) -0.0093(5) 0.9078(4) 0.145(4) Uani 1 1 d . . . . .
C7C C 1.0885(5) 0.0516(4) 0.6808(4) 0.173(4) Uiso 1 1 d D . . . .
C8A C 1.0129(3) -0.1424(2) 0.7521(2) 0.151(4) Uani 1 1 d G . . . .
C7A C 0.9892(3) -0.1623(2) 0.7082(3) 0.175(5) Uani 1 1 d G . . . .
C6A C 1.0140(4) -0.1525(2) 0.67435(19) 0.180(6) Uani 1 1 d G . . . .
C5A C 1.0623(4) -0.1229(2) 0.68433(14) 0.169(5) Uani 1 1 d G . . . .
C4A C 1.0860(3) -0.10308(19) 0.72821(15) 0.149(4) Uani 1 1 d G . . . .
C9A C 1.0613(3) -0.11284(17) 0.76210(14) 0.163(5) Uani 1 1 d G . . . .
N1A N 1.0850(3) -0.0930(2) 0.80598(14) 0.152(3) Uani 1 1 d G . . . .
C1A C 1.1334(3) -0.0634(2) 0.8160(2) 0.167(5) Uani 1 1 d G . . . .
C2A C 1.1581(3) -0.0536(2) 0.7821(3) 0.166(4) Uani 1 1 d G . . . .
C3A C 1.1344(3) -0.0735(2) 0.7382(2) 0.149(4) Uani 1 1 d G . . . .
C8B C 0.9225(5) -0.0609(4) 0.7066(4) 0.138(3) Uani 1 1 d . . . . .
C8C C 1.0607(6) 0.0926(4) 0.6574(5) 0.193(5) Uiso 1 1 d D . . . .
C9B C 0.8314(6) -0.0356(5) 0.8657(4) 0.175(5) Uani 1 1 d D . . . .
C10B C 0.9087(7) 0.0749(5) 0.7309(5) 0.155(5) Uani 1 1 d . . . . .
C11B C 0.6966(5) -0.0425(4) 0.7268(4) 0.165(5) Uani 1 1 d D . . . .
C11C C 1.1412(6) 0.1093(5) 0.5709(4) 0.250(7) Uiso 1 1 d G . . . .
C12C C 1.1585(5) 0.1545(5) 0.5781(4) 0.243(7) Uiso 1 1 d G . . . .
C13C C 1.1434(6) 0.1800(3) 0.6104(5) 0.258(7) Uiso 1 1 d G . . . .
C14C C 1.1109(6) 0.1602(4) 0.6353(4) 0.232(6) Uiso 1 1 d G . . . .
C9C C 1.0936(4) 0.1150(4) 0.6281(4) 0.201(5) Uiso 1 1 d G . . . .
C10C C 1.1088(5) 0.0895(3) 0.5958(5) 0.232(6) Uiso 1 1 d G . . . .
C12B C 0.7994(8) 0.1386(9) 0.8025(5) 0.198(7) Uani 1 1 d . . . . .
C13B C 0.6755(4) 0.0577(5) 0.6127(6) 0.170(4) Uani 1 1 d D . . . .
C14B C 0.6261(5) 0.1239(2) 0.7819(3) 0.295(14) Uani 1 1 d D . . . .
C15A C 0.9652(3) -0.0761(2) 0.9219(2) 0.144(3) Uani 1 1 d G . . . .
C16A C 0.9555(4) -0.0662(3) 0.9631(2) 0.160(4) Uani 1 1 d G . . . .
C17A C 0.9223(4) -0.0959(3) 0.97987(19) 0.210(7) Uani 1 1 d G . . . .
C18A C 0.8987(4) -0.1356(3) 0.9553(2) 0.202(6) Uani 1 1 d G . . . .
C13A C 0.9083(3) -0.1455(2) 0.91409(19) 0.192(6) Uani 1 1 d G . . . .
C14A C 0.9415(2) -0.1158(2) 0.89735(16) 0.166(4) Uani 1 1 d G . . . .
N2A N 0.9512(3) -0.1257(3) 0.85610(18) 0.152(3) Uani 1 1 d G . . . .
C10A C 0.9275(4) -0.1654(3) 0.83157(18) 0.172(5) Uani 1 1 d G . . . .
C11A C 0.8943(4) -0.1952(2) 0.8483(3) 0.200(7) Uani 1 1 d G . . . .
C12A C 0.8847(3) -0.1852(2) 0.8896(3) 0.221(6) Uani 1 1 d G . . . .
C15B C 0.6575(8) 0.1954(6) 0.6119(8) 0.243(10) Uani 1 1 d D . . . .
C15C C 0.7809(6) -0.1977(4) 0.6226(5) 0.179(4) Uiso 1 1 d . . . . .
C16B C 0.46388(5) 0.11032(4) 0.66246(7) 0.258(11) Uani 1 1 d D . . . .
C16C C 0.7515(7) -0.2407(6) 0.6111(6) 0.199(5) Uiso 1 1 d . . . . .
C17B C 0.5896(12) 0.3027(6) 0.6713(5) 0.396(16) Uiso 1 1 d D . . . .
C17C C 1.0158(7) 0.1879(4) 0.8739(7) 0.242(7) Uiso 1 1 d D . . . .
C18B C 0.5759(10) 0.2982(7) 0.6200(5) 0.324(11) Uiso 1 1 d D . . . .
C19B C 0.5033(18) 0.2586(13) 0.5509(8) 0.53(3) Uiso 1 1 d D . . . .
C20C C 0.9106(6) 0.0270(4) 0.5698(5) 0.185(4) Uiso 1 1 d D . . . .
C21C C 0.9184(11) 0.0205(8) 0.5235(5) 0.309(10) Uiso 1 1 d D . . . .
C22C C 0.8607(10) 0.0177(12) 0.4857(10) 0.408(17) Uiso 1 1 d D . . . .
C23C C 0.9633(10) 0.0456(9) 0.5084(9) 0.335(12) Uiso 1 1 d D . . . .
C24C C 0.6117(10) -0.0853(6) 0.8577(8) 0.298(4) Uiso 1 1 d D . . . .
C26A C 1.0047(3) -0.0073(2) 0.74771(18) 0.145(4) Uani 1 1 d G . . . .
C25A C 1.0238(4) 0.0075(3) 0.71208(15) 0.148(4) Uani 1 1 d G . . . .
C24A C 1.0672(4) 0.0414(3) 0.7206(2) 0.159(4) Uani 1 1 d G . . . .
C23A C 1.0915(3) 0.0606(2) 0.7647(2) 0.164(4) Uani 1 1 d G . . . .
C22A C 1.0725(2) 0.04580(17) 0.80035(18) 0.149(4) Uani 1 1 d G . . . .
C27A C 1.0291(2) 0.01187(16) 0.79185(15) 0.138(3) Uani 1 1 d G . . . .
N3A N 1.0101(2) -0.00290(19) 0.8275(2) 0.144(3) Uani 1 1 d G . . . .
C19A C 1.0344(3) 0.0163(2) 0.87161(17) 0.149(4) Uani 1 1 d G . . . .
C20A C 1.0778(3) 0.0502(2) 0.88012(16) 0.141(3) Uani 1 1 d G . . . .
C21A C 1.0968(3) 0.06497(19) 0.8445(2) 0.161(4) Uani 1 1 d G . . . .
C27C C 0.8292(12) 0.1477(9) 0.5503(9) 0.311(7) Uiso 1 1 d . . . . .
C28C C 0.8870(8) 0.1686(6) 0.5566(5) 0.241(7) Uiso 1 1 d D . . . .
C33C C 0.9932(4) 0.1688(5) 0.4961(6) 0.292(9) Uiso 1 1 d G . . . .
C32C C 0.9605(7) 0.1566(5) 0.4508(5) 0.302(10) Uiso 1 1 d G . . . .
C31C C 0.9015(6) 0.1450(4) 0.4394(3) 0.227(6) Uiso 1 1 d G . . . .
C30C C 0.8752(4) 0.1457(4) 0.4733(5) 0.218(6) Uiso 1 1 d G . . . .
C29C C 0.9078(6) 0.1578(4) 0.5186(4) 0.227(6) Uiso 1 1 d DG . . . .
C34C C 0.9668(6) 0.1694(4) 0.5301(4) 0.253(7) Uiso 1 1 d G . . . .
C35A C 0.8073(3) -0.0975(3) 0.80470(19) 0.161(4) Uani 1 1 d G . . . .
C34A C 0.7659(4) -0.1242(4) 0.8158(3) 0.194(5) Uani 1 1 d G . . . .
C33A C 0.7372(3) -0.1601(3) 0.7867(3) 0.206(6) Uani 1 1 d G . . . .
C32A C 0.7499(3) -0.1693(3) 0.7466(3) 0.208(7) Uani 1 1 d G . . . .
C31A C 0.7913(3) -0.1426(2) 0.7355(2) 0.171(4) Uani 1 1 d G . . . .
C36A C 0.8200(3) -0.1067(2) 0.76456(16) 0.155(4) Uani 1 1 d G . . . .
N4A N 0.8614(3) -0.0800(2) 0.7535(2) 0.152(3) Uani 1 1 d G . . . .
C28A C 0.8741(3) -0.0893(3) 0.7133(2) 0.135(3) Uani 1 1 d G . . . .
C29A C 0.8453(4) -0.1252(3) 0.68428(18) 0.150(4) Uani 1 1 d G . . . .
C30A C 0.8039(4) -0.1519(2) 0.6954(2) 0.181(5) Uani 1 1 d G . . . .
C35C C 0.47154(12) -0.01992(12) 0.75323(17) 0.714(15) Uiso 1 1 d D . . . .
C44A C 0.9253(3) 0.0870(3) 0.81471(17) 0.170(5) Uani 1 1 d G . . . .
C43A C 0.9588(3) 0.1271(3) 0.8224(3) 0.177(5) Uani 1 1 d G . . . .
C42A C 0.9778(3) 0.1477(2) 0.8661(3) 0.182(5) Uani 1 1 d DG . . . .
C41A C 0.9634(3) 0.1283(3) 0.9021(2) 0.167(4) Uani 1 1 d G . . . .
C40A C 0.9299(2) 0.0883(3) 0.89437(16) 0.161(4) Uani 1 1 d G . . . .
C45A C 0.9108(2) 0.0677(2) 0.85069(15) 0.152(4) Uani 1 1 d G . . . .
N5A N 0.8773(3) 0.0276(2) 0.84300(19) 0.158(3) Uani 1 1 d G . . . .
C37A C 0.8629(3) 0.0082(3) 0.8790(3) 0.155(4) Uani 1 1 d G . . . .
C38A C 0.8820(3) 0.0289(3) 0.9227(2) 0.184(6) Uani 1 1 d G . . . .
C39A C 0.9155(3) 0.0689(3) 0.93035(16) 0.175(5) Uani 1 1 d G . . . .
O12C O 0.5922(7) 0.0913(6) 0.4803(5) 0.271(4) Uiso 1 1 d D . . . .
C53A C 0.7449(3) -0.0344(2) 0.6672(2) 0.167(5) Uani 1 1 d G . . . .
C52A C 0.7117(3) -0.0641(2) 0.6322(3) 0.185(5) Uani 1 1 d G . . . .
C51A C 0.7246(3) -0.0683(2) 0.5914(2) 0.182(5) Uani 1 1 d G . . . .
C50A C 0.7707(3) -0.0428(2) 0.58564(17) 0.168(5) Uani 1 1 d G . . . .
C49A C 0.8038(3) -0.0131(2) 0.62064(14) 0.158(4) Uani 1 1 d G . . . .
C54A C 0.7909(3) -0.00888(19) 0.66140(14) 0.143(4) Uani 1 1 d G . . . .
N6A N 0.8241(3) 0.0208(2) 0.69640(15) 0.153(3) Uani 1 1 d G . . . .
C46A C 0.8702(3) 0.0463(2) 0.6906(2) 0.151(4) Uani 1 1 d G . . . .
C47A C 0.8831(3) 0.0422(2) 0.6499(3) 0.164(4) Uani 1 1 d G . . . .
C48A C 0.8499(3) 0.0125(2) 0.6149(2) 0.177(6) Uani 1 1 d G . . . .
C62A C 0.7535(3) 0.0829(3) 0.8352(3) 0.173(5) Uani 1 1 d G . . . .
C61A C 0.7575(4) 0.1030(3) 0.8774(3) 0.207(7) Uani 1 1 d G . . . .
C60A C 0.7328(4) 0.0813(4) 0.9068(2) 0.238(9) Uani 1 1 d G . . . .
C59A C 0.7042(4) 0.0395(4) 0.8940(2) 0.253(9) Uani 1 1 d G . . . .
C58A C 0.7003(3) 0.0194(3) 0.8518(2) 0.198(6) Uani 1 1 d G . . . .
C63A C 0.7250(2) 0.0411(3) 0.82240(19) 0.192(6) Uani 1 1 d G . . . .
N7A N 0.7210(3) 0.0210(3) 0.78023(19) 0.185(5) Uani 1 1 d G . . . .
C55A C 0.6924(4) -0.0209(4) 0.7674(3) 0.192(5) Uani 1 1 d G . . . .
C56A C 0.6678(4) -0.0426(3) 0.7968(4) 0.221(7) Uani 1 1 d G . . . .
C57A C 0.6717(4) -0.0225(3) 0.8390(4) 0.231(7) Uani 1 1 d G . . . .
C66A C 0.8619(3) 0.1980(2) 0.7151(3) 0.184(4) Uani 1 1 d G U . . .
C65A C 0.8510(3) 0.1918(3) 0.7564(2) 0.194(5) Uani 1 1 d G U . . .
C64A C 0.8096(3) 0.1592(3) 0.75878(19) 0.179(4) Uani 1 1 d G U . . .
N8A N 0.7791(3) 0.1329(2) 0.7199(2) 0.180(3) Uani 1 1 d G U . . .
C72A C 0.7900(2) 0.13913(17) 0.67858(18) 0.157(3) Uani 1 1 d G U . . .
C67A C 0.8314(2) 0.17165(18) 0.6762(2) 0.176(4) Uani 1 1 d G U . . .
C68A C 0.8423(3) 0.1778(3) 0.6349(2) 0.200(5) Uani 1 1 d G U . . .
C69A C 0.8118(4) 0.1515(3) 0.5960(2) 0.202(5) Uani 1 1 d G U . . .
C70A C 0.7704(4) 0.1190(3) 0.59839(19) 0.173(4) Uani 1 1 d G U . . .
C71A C 0.7595(3) 0.1128(2) 0.6397(2) 0.163(3) Uani 1 1 d G U . . .
C89A C 0.69663(9) 0.22514(9) 0.6915(3) 0.357(8) Uani 1 1 d G . . . .
C88A C 0.72905(10) 0.26280(10) 0.6861(3) 0.357(8) Uani 1 1 d DG . . . .
C87A C 0.75675(9) 0.29154(9) 0.7237(3) 0.357(8) Uani 1 1 d G . . . .
C86A C 0.75205(18) 0.28262(12) 0.7667(3) 0.357(8) Uani 1 1 d DG . . . .
C85A C 0.7196(2) 0.24496(13) 0.7721(3) 0.357(8) Uani 1 1 d G . . . .
C90A C 0.69192(14) 0.21622(10) 0.7345(3) 0.357(8) Uani 1 1 d G . . . .
N10A N 0.65950(19) 0.17855(11) 0.7399(3) 0.357(8) Uani 1 1 d G . . . .
C82A C 0.6548(3) 0.16963(16) 0.7830(3) 0.357(8) Uani 1 1 d DG . . . .
C83A C 0.6825(4) 0.1984(2) 0.8206(3) 0.357(8) Uani 1 1 d G . . . .
C84A C 0.7149(4) 0.23603(19) 0.8152(3) 0.357(8) Uani 1 1 d G . . . .
C98A C 0.49451(11) 0.09799(9) 0.59499(15) 0.227(8) Uani 1 1 d G . . . .
C97A C 0.45322(16) 0.06427(12) 0.5728(2) 0.222(7) Uani 1 1 d G . . . .
C96A C 0.4538(3) 0.0448(2) 0.5315(2) 0.225(8) Uani 1 1 d G . . . .
C95A C 0.4957(4) 0.0591(3) 0.51238(18) 0.213(7) Uani 1 1 d G . . . .
C94A C 0.5370(3) 0.0928(3) 0.53454(18) 0.202(7) Uani 1 1 d G . . . .
C99A C 0.53641(14) 0.11227(14) 0.57584(17) 0.200(6) Uani 1 1 d G . . . .
N11A N 0.57769(17) 0.14599(17) 0.5980(3) 0.220(5) Uani 1 1 d G . . . .
C91A C 0.6196(2) 0.1603(3) 0.5788(4) 0.229(8) Uani 1 1 d DG . . . .
C92A C 0.6202(3) 0.1408(4) 0.5375(4) 0.248(12) Uani 1 1 d G . . . .
C93A C 0.5789(4) 0.1071(4) 0.5154(3) 0.35(2) Uani 1 1 d DG . . . .
O1F O 0.3356(6) 0.2171(5) 0.7367(5) 0.266(3) Uiso 1 1 d D . . . .
O2F O 0.6556(9) 0.5479(6) 0.8258(7) 0.427(11) Uiso 1 1 d D . . . .
C2E C 0.5329(6) 0.3199(5) 0.9496(4) 0.241(7) Uiso 1 1 d D . . . .
C3E C 0.5784(9) 0.3538(5) 0.9509(7) 0.252(7) Uiso 1 1 d D . . . .
C4E C 0.5066(9) 0.3378(7) 0.9857(7) 0.259(7) Uiso 1 1 d . . . . .
C1E C 0.5571(4) 0.2745(4) 0.9606(6) 0.224(6) Uiso 1 1 d D . . . .
O1E O 0.5593(5) 0.2584(4) 0.9987(5) 0.259(5) Uiso 1 1 d D . . . .
O2E O 0.5721(6) 0.2594(5) 0.9273(6) 0.307(6) Uiso 1 1 d D . . . .
O3E O 0.42777(10) 0.26512(9) 0.9067(2) 0.292(6) Uani 1 1 d D . . . .
O4E O 0.53482(8) 0.41799(9) 0.71793(14) 0.312(7) Uani 1 1 d D . . . .
O5E O 0.4600(4) 0.4469(3) 0.9636(3) 0.190(3) Uani 1 1 d D . . . .
O6E O 0.3071(4) 0.3689(3) 0.6886(3) 0.189(3) Uani 1 1 d . . . . .
O7E O 0.4774(4) 0.5889(3) 0.8569(4) 0.242(5) Uani 1 1 d D . . . .
O8E O 0.1851(5) 0.4111(4) 0.8037(4) 0.208(5) Uani 1 1 d . . . . .
O8F O 0.1590(6) 0.3844(4) 0.6267(5) 0.267(3) Uiso 1 1 d D . . . .
O9E O 0.3504(6) 0.6004(4) 0.6828(5) 0.242(6) Uani 1 1 d . . . . .
O9F O 0.4537(4) 0.7090(3) 0.8133(4) 0.248(4) Uiso 1 1 d D . . . .
O10E O 0.2247(6) 0.5804(4) 0.9037(3) 0.256(7) Uani 1 1 d . . . . .
O10F O 0.2546(6) 0.7590(5) 0.4841(5) 0.287(5) Uiso 1 1 d . . . . .
O11E O 0.1054(4) 0.5488(3) 0.6171(3) 0.200(3) Uani 1 1 d . . . . .
O12E O 0.2653(4) 0.7373(2) 0.8251(3) 0.270(5) Uani 1 1 d D . . . .
O12F O -0.0368(4) 0.5888(3) 0.5423(3) 0.217(4) Uani 1 1 d D . . . .
O13E O -0.0330(7) 0.5705(6) 0.7139(6) 0.272(7) Uani 1 1 d . U . . .
O14E O 0.1534(5) 0.7942(3) 0.6648(4) 0.237(5) Uani 1 1 d . U . . .
O15E O -0.0508(5) 0.7004(4) 0.8239(4) 0.250(4) Uiso 1 1 d D . . . .
O16E O -0.0582(5) 0.6803(4) 0.7123(4) 0.282(5) Uiso 1 1 d D . . . .
O17E O -0.1046(4) 0.7496(3) 0.6093(3) 0.198(3) Uiso 1 1 d D . . . .
O18E O -0.1013(5) 0.8369(4) 0.5786(4) 0.233(4) Uiso 1 1 d D . . . .
N1D N 0.45516(5) 0.31636(6) 0.81170(14) 0.279(4) Uani 1 1 d G . . . .
C1D C 0.43113(6) 0.28598(6) 0.83513(15) 0.279(4) Uani 1 1 d DG . . . .
C2D C 0.39210(8) 0.25179(6) 0.81080(16) 0.279(4) Uani 1 1 d G . . . .
C3D C 0.37709(9) 0.24799(7) 0.76303(16) 0.279(4) Uani 1 1 d G . . . .
C4D C 0.40112(8) 0.27837(7) 0.73959(15) 0.279(4) Uani 1 1 d G . . . .
C9D C 0.44016(6) 0.31256(6) 0.76393(14) 0.279(4) Uani 1 1 d G . . . .
C8D C 0.46419(8) 0.34294(7) 0.74050(14) 0.279(4) Uani 1 1 d DG . . . .
C7D C 0.44919(10) 0.33914(10) 0.69273(14) 0.279(4) Uani 1 1 d G . . . .
C6D C 0.41015(11) 0.30495(11) 0.66839(14) 0.279(4) Uani 1 1 d G . . . .
C5D C 0.38612(10) 0.27457(10) 0.69182(15) 0.279(4) Uani 1 1 d G . . . .
N1E N 0.48443(8) 0.32322(10) 0.9072(2) 0.292(6) Uani 1 1 d D . . . .
N2D N 0.52899(12) 0.44793(11) 0.8291(2) 0.240(3) Uani 1 1 d G . . . .
C10D C 0.55150(15) 0.44947(15) 0.7929(2) 0.240(3) Uani 1 1 d DG . . . .
C11D C 0.59421(19) 0.48203(19) 0.79342(17) 0.240(3) Uani 1 1 d DG . . . .
C12D C 0.6144(2) 0.51307(16) 0.83010(19) 0.240(3) Uani 1 1 d DG . . . .
C13D C 0.59191(19) 0.51154(13) 0.86628(17) 0.240(3) Uani 1 1 d DG . . . .
C18D C 0.54920(14) 0.47897(14) 0.86579(18) 0.240(3) Uani 1 1 d G . . . .
C17D C 0.5267(2) 0.4774(2) 0.9020(2) 0.240(3) Uani 1 1 d DG . . . .
C16D C 0.5469(3) 0.5085(3) 0.93865(19) 0.240(3) Uani 1 1 d G . . . .
C15D C 0.5896(3) 0.5410(3) 0.93914(19) 0.240(3) Uani 1 1 d G . . . .
C14D C 0.6121(3) 0.54257(18) 0.9030(2) 0.240(3) Uani 1 1 d G . . . .
N2E N 0.49456(5) 0.38166(5) 0.76846(14) 0.312(7) Uani 1 1 d D . . . .
N3E N 0.4764(3) 0.4468(3) 0.8946(5) 0.190(5) Uani 1 1 d D . . . .
N3F N 0.2752(8) 0.8209(6) 0.8689(6) 0.295(7) Uiso 1 1 d D . . . .
N4D N 0.3912(3) 0.4676(3) 0.7415(3) 0.222(2) Uani 1 1 d G . . . .
C28D C 0.3668(3) 0.4353(2) 0.7066(4) 0.222(2) Uani 1 1 d G . . . .
C29D C 0.3788(4) 0.4376(3) 0.6654(3) 0.222(2) Uani 1 1 d DG . . . .
C30D C 0.4151(4) 0.4723(3) 0.6590(2) 0.222(2) Uani 1 1 d DG . . . .
C31D C 0.4395(3) 0.5046(2) 0.6939(2) 0.222(2) Uani 1 1 d DG . . . .
C36D C 0.4275(3) 0.5023(2) 0.7352(2) 0.222(2) Uani 1 1 d G . . . .
C35D C 0.4519(4) 0.5346(3) 0.7701(2) 0.222(2) Uani 1 1 d DG . . . .
C34D C 0.4882(4) 0.5692(3) 0.7637(3) 0.222(2) Uani 1 1 d G . . . .
C33D C 0.5002(3) 0.5715(2) 0.7224(4) 0.222(2) Uani 1 1 d G . . . .
C32D C 0.4758(3) 0.5392(3) 0.6875(3) 0.222(2) Uani 1 1 d G . . . .
N4E N 0.3408(4) 0.3914(3) 0.7655(4) 0.176(4) Uani 1 1 d . . . . .
N5D N 0.3581(3) 0.5168(2) 0.8580(2) 0.192(4) Uani 1 1 d G U . . .
C37D C 0.4063(3) 0.5462(2) 0.8767(3) 0.193(4) Uani 1 1 d DG U . . .
C38D C 0.4230(3) 0.5598(2) 0.9229(3) 0.212(5) Uani 1 1 d G U . . .
C39D C 0.3915(3) 0.5440(2) 0.9505(2) 0.225(6) Uani 1 1 d G U . . .
C40D C 0.3433(3) 0.51462(19) 0.93187(19) 0.211(4) Uani 1 1 d G U . . .
C45D C 0.3266(3) 0.50101(17) 0.88561(19) 0.193(4) Uani 1 1 d G U . . .
C44D C 0.2784(3) 0.4716(2) 0.8669(3) 0.197(5) Uani 1 1 d G U . . .
C43D C 0.2470(3) 0.4559(2) 0.8945(3) 0.211(5) Uani 1 1 d G U . . .
C42D C 0.2637(4) 0.4695(3) 0.9408(3) 0.228(5) Uani 1 1 d G U . . .
C41D C 0.3119(4) 0.4988(3) 0.9595(2) 0.228(5) Uani 1 1 d G U . . .
N5E N 0.4290(4) 0.5288(3) 0.8078(3) 0.232(6) Uani 1 1 d D . . . .
N6D N 0.2431(3) 0.4803(2) 0.72998(18) 0.188(4) Uani 1 1 d G U . . .
C46D C 0.2125(3) 0.4443(2) 0.7410(2) 0.175(4) Uani 1 1 d DG U . . .
C47D C 0.1845(3) 0.4115(2) 0.7075(3) 0.198(4) Uani 1 1 d G U . . .
C48D C 0.1870(3) 0.4147(2) 0.6630(2) 0.203(5) Uani 1 1 d G U . . .
C49D C 0.2175(3) 0.4507(2) 0.65201(18) 0.223(5) Uani 1 1 d G U . . .
C50D C 0.2456(2) 0.48348(19) 0.68549(18) 0.204(5) Uani 1 1 d G U . . .
C51D C 0.2761(3) 0.5195(2) 0.6745(3) 0.209(5) Uani 1 1 d G U . . .
C52D C 0.2787(4) 0.5227(3) 0.6300(3) 0.221(5) Uani 1 1 d G U . . .
C53D C 0.2506(4) 0.4899(3) 0.5965(2) 0.247(6) Uani 1 1 d G U . . .
C54D C 0.2201(4) 0.4539(3) 0.60753(18) 0.258(7) Uani 1 1 d G U . . .
N6E N 0.2622(5) 0.4653(4) 0.8172(4) 0.189(4) Uani 1 1 d . . . . .
N7D N 0.3176(3) 0.60879(19) 0.7822(2) 0.246(4) Uani 1 1 d G . . . .
C55D C 0.3473(4) 0.6189(2) 0.7516(2) 0.246(4) Uani 1 1 d DG . . . .
C56D C 0.3915(4) 0.6524(3) 0.7631(3) 0.246(4) Uani 1 1 d G . . . .
C57D C 0.4060(3) 0.6758(2) 0.8052(3) 0.246(4) Uani 1 1 d DG . . . .
C58D C 0.3763(3) 0.66567(16) 0.8358(2) 0.246(4) Uani 1 1 d G . . . .
C63D C 0.3321(2) 0.63217(16) 0.8244(2) 0.246(4) Uani 1 1 d G . . . .
C62D C 0.3025(3) 0.6220(2) 0.8550(3) 0.246(4) Uani 1 1 d G . . . .
C61D C 0.3170(4) 0.6454(3) 0.8971(3) 0.246(4) Uani 1 1 d G . . . .
C60D C 0.3611(4) 0.6789(3) 0.9086(2) 0.246(4) Uani 1 1 d G . . . .
C59D C 0.3908(3) 0.6890(2) 0.8780(2) 0.246(4) Uani 1 1 d G . . . .
N7E N 0.2943(5) 0.5497(4) 0.7130(5) 0.215(6) Uani 1 1 d D . . . .
N8D N 0.1550(3) 0.5463(2) 0.7844(4) 0.195(4) Uani 1 1 d G . . . .
C64D C 0.1663(4) 0.5442(3) 0.8318(3) 0.213(8) Uani 1 1 d DG . . . .
C65D C 0.1327(6) 0.5153(4) 0.8490(3) 0.248(9) Uani 1 1 d G . . . .
C66D C 0.0878(5) 0.4884(4) 0.8188(4) 0.239(8) Uani 1 1 d G . . . .
C67D C 0.0765(3) 0.4906(2) 0.7715(3) 0.227(10) Uani 1 1 d G . . . .
C72D C 0.1101(3) 0.5195(2) 0.7542(3) 0.189(7) Uani 1 1 d G . . . .
C71D C 0.0988(5) 0.5216(4) 0.7069(3) 0.188(6) Uani 1 1 d G . . . .
C70D C 0.0539(5) 0.4948(4) 0.6767(3) 0.243(11) Uani 1 1 d G . . . .
C69D C 0.0203(4) 0.4659(4) 0.6939(5) 0.225(8) Uani 1 1 d G . . . .
C68D C 0.0316(3) 0.4638(3) 0.7413(5) 0.224(7) Uani 1 1 d G . . . .
N8E N 0.2476(7) 0.5884(4) 0.8411(5) 0.258(10) Uani 1 1 d D . . . .
N9D N 0.1903(3) 0.6365(2) 0.6904(3) 0.216(2) Uani 1 1 d G . . . .
C73D C 0.1711(3) 0.6083(2) 0.6513(3) 0.216(2) Uani 1 1 d G . . . .
C74D C 0.1926(4) 0.6151(2) 0.6150(3) 0.216(2) Uani 1 1 d G . . . .
C75D C 0.2333(4) 0.6500(3) 0.6178(2) 0.216(2) Uani 1 1 d G . . . .
C76D C 0.2526(3) 0.6782(2) 0.65695(19) 0.216(2) Uani 1 1 d G . . . .
C81D C 0.2311(2) 0.67139(18) 0.69322(19) 0.216(2) Uani 1 1 d G . . . .
C80D C 0.2503(3) 0.6995(2) 0.7323(2) 0.216(2) Uani 1 1 d DG . . . .
C79D C 0.2911(3) 0.7344(2) 0.7352(3) 0.216(2) Uani 1 1 d G . . . .
C78D C 0.3126(3) 0.7412(2) 0.6989(3) 0.216(2) Uani 1 1 d DG . . . .
C77D C 0.2933(3) 0.7131(2) 0.6598(3) 0.216(2) Uani 1 1 d G . . . .
N9E N 0.1321(6) 0.5557(4) 0.6946(4) 0.201(6) Uani 1 1 d . . . . .
N10D N 0.14083(13) 0.66443(8) 0.80445(15) 0.271(4) Uani 1 1 d G . . . .
C82D C 0.18751(13) 0.69147(8) 0.83207(17) 0.271(4) Uani 1 1 d DG . . . .
C83D C 0.19640(14) 0.69698(11) 0.87902(17) 0.271(4) Uani 1 1 d G . . . .
C84D C 0.15861(15) 0.67545(13) 0.89837(15) 0.271(4) Uani 1 1 d G . . . .
C85D C 0.11192(14) 0.64841(10) 0.87075(15) 0.271(4) Uani 1 1 d G . . . .
C90D C 0.10303(13) 0.64290(8) 0.82379(15) 0.271(4) Uani 1 1 d G . . . .
C89D C 0.05635(14) 0.61587(8) 0.79618(15) 0.271(4) Uani 1 1 d G . . . .
C88D C 0.01855(14) 0.59434(8) 0.81552(18) 0.271(4) Uani 1 1 d DG . . . .
C87D C 0.02744(16) 0.59984(10) 0.86248(18) 0.271(4) Uani 1 1 d DG . . . .
C86D C 0.07412(16) 0.62688(12) 0.89009(16) 0.271(4) Uani 1 1 d DG . . . .
N10E N 0.2180(4) 0.6896(3) 0.7635(2) 0.270(5) Uani 1 1 d D . . . .
N11D N 0.04242(9) 0.65279(12) 0.66712(14) 0.211(4) Uani 1 1 d G U . . .
C91D C 0.00829(11) 0.61379(13) 0.66506(19) 0.220(5) Uani 1 1 d DG U . . .
C92D C -0.01849(14) 0.59115(13) 0.6230(2) 0.232(5) Uani 1 1 d G U . . .
C93D C -0.01113(16) 0.60751(19) 0.58293(19) 0.226(6) Uani 1 1 d G U . . .
C94D C 0.02301(15) 0.64650(18) 0.58499(14) 0.222(5) Uani 1 1 d G U . . .
C99D C 0.04978(10) 0.66914(13) 0.62709(13) 0.200(4) Uani 1 1 d G U . . .
C98D C 0.08392(13) 0.70814(13) 0.62915(16) 0.211(5) Uani 1 1 d DG U . . .
C97D C 0.09128(19) 0.72449(19) 0.58912(19) 0.234(5) Uani 1 1 d G U . . .
C96D C 0.0645(2) 0.7019(3) 0.54703(16) 0.253(7) Uani 1 1 d G U . . .
C95D C 0.0304(2) 0.6629(3) 0.54496(13) 0.242(6) Uani 1 1 d G U . . .
N11E N 0.0492(6) 0.6198(4) 0.7472(4) 0.238(6) Uani 1 1 d . U . . .
N12D N 0.10152(10) 0.76510(13) 0.75219(16) 0.264(4) Uani 1 1 d G . . . .
C1DD C 0.14288(14) 0.78501(15) 0.73541(18) 0.264(4) Uani 1 1 d DG . . . .
C2DD C 0.18569(15) 0.81489(15) 0.7634(2) 0.264(4) Uani 1 1 d G . . . .
C3DD C 0.18713(17) 0.82487(15) 0.8082(2) 0.264(4) Uani 1 1 d G . . . .
C4DD C 0.1458(2) 0.80496(15) 0.82502(16) 0.264(4) Uani 1 1 d G . . . .
C9DD C 0.10297(15) 0.77508(12) 0.79700(16) 0.264(4) Uani 1 1 d G . . . .
C8DD C 0.0616(2) 0.75517(17) 0.8138(2) 0.264(4) Uani 1 1 d DG . . . .
C7DD C 0.0631(3) 0.7651(2) 0.8586(2) 0.264(4) Uani 1 1 d G . . . .
C6DD C 0.1059(4) 0.7950(3) 0.88661(18) 0.264(4) Uani 1 1 d G . . . .
C5DD C 0.1472(3) 0.8149(2) 0.86982(17) 0.264(4) Uani 1 1 d G . . . .
N12E N 0.10120(8) 0.72957(9) 0.67467(19) 0.204(4) Uani 1 1 d D U . . .
N13E N 0.0168(5) 0.7287(4) 0.7859(3) 0.221(6) Uani 1 1 d D . . . .
C1F C 0.3107(8) 0.1834(6) 0.7591(6) 0.266(3) Uiso 1 1 d D . . . .
C2F C 0.2716(8) 0.1540(5) 0.7202(6) 0.266(3) Uiso 1 1 d D . . . .
C3F C 0.2397(8) 0.1230(7) 0.7428(7) 0.266(3) Uiso 1 1 d D . . . .
C4F C 0.2996(8) 0.1287(6) 0.6912(7) 0.266(3) Uiso 1 1 d D . . . .
C5E C 0.44670(8) 0.29051(8) 0.8823(2) 0.292(6) Uani 1 1 d D . . . .
C6E C 0.52568(3) 0.41422(4) 0.75555(14) 0.312(7) Uani 1 1 d D . . . .
C7E C 0.4480(8) 0.4358(5) 0.9220(3) 0.191(7) Uani 1 1 d D . . . .
C7F C 0.1986(6) 0.2710(5) 0.7633(5) 0.194(5) Uiso 1 1 d D . . . .
C8E C 0.3369(6) 0.3957(5) 0.7175(5) 0.190(6) Uani 1 1 d . . . . .
C8F C 0.1411(6) 0.2844(5) 0.7660(5) 0.205(5) Uiso 1 1 d D . . . .
C9E C 0.4410(5) 0.5564(4) 0.8454(3) 0.247(10) Uani 1 1 d D . . . .
C9F C 0.0910(4) 0.2515(3) 0.7431(3) 0.184(4) Uiso 1 1 d G . . . .
C14F C 0.0875(3) 0.2102(3) 0.7626(2) 0.171(4) Uiso 1 1 d G . . . .
C13F C 0.0416(4) 0.1795(2) 0.7412(3) 0.172(4) Uiso 1 1 d G . . . .
C12F C -0.0008(3) 0.1901(3) 0.7004(3) 0.187(4) Uiso 1 1 d G . . . .
C11F C 0.0026(4) 0.2314(4) 0.6809(3) 0.216(5) Uiso 1 1 d G . . . .
C10F C 0.0485(5) 0.2621(3) 0.7022(4) 0.234(6) Uiso 1 1 d G . . . .
C10E C 0.2188(8) 0.4378(6) 0.7908(3) 0.198(8) Uani 1 1 d D . . . .
C11E C 0.3310(8) 0.5848(5) 0.7125(5) 0.232(10) Uani 1 1 d D . . . .
C12E C 0.2164(6) 0.5701(6) 0.8661(6) 0.238(10) Uani 1 1 d D . . . .
C13E C 0.1354(6) 0.5667(4) 0.6536(5) 0.176(5) Uani 1 1 d . . . . .
C14E C 0.2268(4) 0.7076(3) 0.8061(3) 0.270(5) Uani 1 1 d D . . . .
C15E C 0.0046(10) 0.5985(7) 0.7105(4) 0.229(8) Uani 1 1 d D U . . .
C16E C 0.12985(14) 0.77001(10) 0.6860(2) 0.250(9) Uani 1 1 d D U . . .
C17E C -0.0302(7) 0.7078(6) 0.7922(4) 0.243(8) Uiso 1 1 d D . . . .
C17F C 0.2274(9) 0.4494(7) 0.9672(7) 0.257(8) Uiso 1 1 d D . . . .
C18E C -0.0716(6) 0.6780(5) 0.7549(4) 0.254(7) Uiso 1 1 d D . . . .
C19E C -0.0926(5) 0.7103(4) 0.6786(4) 0.199(5) Uiso 1 1 d D . . . .
C20E C -0.0690(6) 0.7176(5) 0.6397(4) 0.236(6) Uiso 1 1 d D . . . .
C20F C 0.1267(8) 0.3445(5) 0.6329(6) 0.267(3) Uiso 1 1 d D . . . .
C21E C -0.0888(7) 0.7583(4) 0.5684(4) 0.237(6) Uiso 1 1 d D . . . .
C21F C 0.1028(7) 0.3260(5) 0.5841(6) 0.267(3) Uiso 1 1 d D . . . .
C23F C 0.1503(8) 0.3090(6) 0.5682(6) 0.267(3) Uiso 1 1 d D . . . .
C22E C -0.1187(6) 0.7989(4) 0.5460(4) 0.220(6) Uiso 1 1 d D . . . .
C23E C -0.1269(7) 0.8791(4) 0.5630(6) 0.247(7) Uiso 1 1 d D . . . .
C24F C 0.4917(9) 0.7172(8) 0.7862(7) 0.297(9) Uiso 1 1 d D . . . .
C26D C 0.3158(3) 0.3609(2) 0.78629(19) 0.163(4) Uani 1 1 d G U . . .
C25D C 0.2719(3) 0.3289(3) 0.7644(2) 0.181(4) Uani 1 1 d G U . . .
C24D C 0.2461(3) 0.3028(2) 0.7903(3) 0.198(5) Uani 1 1 d G U . . .
C23D C 0.2643(3) 0.3088(2) 0.8380(3) 0.204(5) Uani 1 1 d G U . . .
C22D C 0.3082(2) 0.34077(19) 0.8599(2) 0.177(4) Uani 1 1 d G U . . .
C27D C 0.3340(2) 0.36682(17) 0.83404(19) 0.175(4) Uani 1 1 d G U . . .
N3D N 0.3779(2) 0.39883(19) 0.8559(3) 0.167(3) Uani 1 1 d G U . . .
C19D C 0.3961(3) 0.4048(2) 0.9037(3) 0.181(4) Uani 1 1 d G U . . .
C20D C 0.3703(4) 0.3787(3) 0.92955(19) 0.192(5) Uani 1 1 d G U . . .
C21D C 0.3263(4) 0.3467(3) 0.9077(2) 0.207(5) Uani 1 1 d G U . . .
C27F C -0.0308(7) 0.4388(5) 0.6590(6) 0.216(5) Uiso 1 1 d D . . . .
C28F C -0.0065(6) 0.3983(5) 0.6438(5) 0.235(6) Uiso 1 1 d D . . . .
C29F C -0.0525(5) 0.3690(4) 0.6132(5) 0.226(6) Uiso 1 1 d DG . . . .
C34F C -0.0793(7) 0.3327(5) 0.6275(4) 0.264(8) Uiso 1 1 d G . . . .
C33F C -0.1241(6) 0.3074(4) 0.5955(6) 0.279(8) Uiso 1 1 d G . . . .
C32F C -0.1421(5) 0.3183(5) 0.5492(5) 0.250(7) Uiso 1 1 d G . . . .
C31F C -0.1153(7) 0.3546(5) 0.5349(4) 0.272(8) Uiso 1 1 d G . . . .
C30F C -0.0705(6) 0.3799(4) 0.5669(6) 0.248(7) Uiso 1 1 d G . . . .
C35F C 0.3539(6) 0.7793(4) 0.7062(6) 0.257(7) Uiso 1 1 d D . . . .
C36F C 0.3301(8) 0.8170(5) 0.6750(7) 0.262(8) Uiso 1 1 d D . . . .
C39F C 0.2346(4) 0.7805(4) 0.5559(5) 0.238(6) Uiso 1 1 d G . . . .
C38F C 0.2544(6) 0.7968(4) 0.6014(5) 0.226(6) Uiso 1 1 d G . . . .
C37F C 0.3134(7) 0.8068(4) 0.6233(3) 0.242(7) Uiso 1 1 d G . . . .
C42F C 0.3526(4) 0.8005(5) 0.5998(5) 0.278(8) Uiso 1 1 d G . . . .
C41F C 0.3328(6) 0.7843(5) 0.5543(5) 0.263(8) Uiso 1 1 d G . . . .
C40F C 0.2738(7) 0.7743(4) 0.5324(3) 0.217(6) Uiso 1 1 d G . . . .
C43F C -0.01207(14) 0.57733(8) 0.8826(3) 0.373(14) Uiso 1 1 d D . . . .
C46F C -0.0646(6) 0.5446(4) 0.5407(4) 0.221(6) Uiso 1 1 d D . . . .
C47F C -0.0974(6) 0.5315(4) 0.4913(4) 0.200(5) Uiso 1 1 d D . . . .
C48F C -0.1200(7) 0.4837(4) 0.4891(6) 0.223(6) Uiso 1 1 d D . . . .
C49F C -0.0654(6) 0.5391(5) 0.4575(5) 0.210(5) Uiso 1 1 d D . . . .
C50F C 0.2360(9) 0.8494(7) 0.8365(7) 0.286(9) Uiso 1 1 d D . . . .
O1W O 1.1833(5) 0.1194(4) 0.9605(4) 0.257(4) Uiso 1 1 d . . . . .
O2W O 0.8089(5) -0.2665(4) 0.7345(4) 0.247(4) Uiso 1 1 d . . . . .
O4W O 1.2482(6) 0.0854(4) 1.0469(5) 0.271(5) Uiso 1 1 d . . . . .
O5W O 1.3107(7) 0.0304(6) 1.0076(6) 0.321(7) Uiso 1 1 d . . . . .
O6W O 1.2172(8) 0.1621(6) 0.8560(6) 0.332(7) Uiso 1 1 d . . . . .
O8W O 0.3531(8) 0.3370(6) 1.0320(6) 0.337(7) Uiso 1 1 d . . . . .
O9W O 0.5582(10) 0.6575(8) 0.8833(8) 0.402(10) Uiso 1 1 d . . . . .
O3W O 0.5016(12) 0.1620(9) 0.9417(9) 0.441(12) Uiso 1 1 d . . . . .
O10W O 0.2919(11) 0.3443(9) 0.5782(9) 0.441(12) Uiso 1 1 d . . . . .
O11W O -0.2323(8) 0.9032(6) 0.4887(6) 0.102(10) Uiso 0.250(17) 1 d . . P . .
O7W O -0.2855(11) 0.8220(9) 0.4908(9) 0.357(12) Uiso 0.750(17) 1 d . . P . .


_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
C4C C2C 1.57(2) . ?
O6F C16F 1.351(18) . ?
O5F C15F 1.450(2) . ?
O5F C30D 1.450(2) . ?
C16F C15F 1.4502(10) . ?
C36C C37C 1.451(2) . ?
C36C C35C 1.500(2) . ?
C37C C38C 1.3900 . ?
C37C C42C 1.3900 . ?
C38C C39C 1.3900 . ?
C39C C40C 1.3900 . ?
C40C C41C 1.3900 . ?
C40C O10C 1.451(2) . ?
C41C C42C 1.3900 . ?
C48C C47C 1.500(2) . ?
C49C C47C 1.500(2) . ?
C25C C26C 1.500(2) . ?
C25C C24C 1.500(2) . ?
C47C C46C 1.500(2) . ?
C3C C2C 1.501(2) . ?
C22F C21F 1.500(2) . ?
C43C C87A 1.4962 . ?
C18F C17F 1.500(2) . ?
C46C O12C 1.450(2) . ?
C50C N3C 1.450(2) . ?
C50C C3AA 1.451(2) . ?
O1B C1B 1.296(12) . ?
O1C C3A 1.306(10) . ?
O1C C1C 1.450(2) . ?
O2B C1B 1.291(12) . ?
O2C C12A 1.389(14) . ?
O2C C5C 1.51(3) . ?
O3B C5B 1.222(16) . ?
O4B C6B 1.2502(11) . ?
O5B C7B 1.279(12) . ?
O5C C30A 1.346(10) . ?
O5C C15C 1.503(14) . ?
O6B C8B 1.272(12) . ?
O6C C16C 1.108(16) . ?
O7B C9B 1.294(15) . ?
O7C C16C 1.349(17) . ?
O8B C10B 1.226(15) . ?
O8C C48A 1.340(11) . ?
O8C C20C 1.378(14) . ?
O9B C11B 1.250(2) . ?
O9C C24C 1.450(2) . ?
O9C C57A 1.452(19) . ?
O10B C12B 1.311(19) . ?
O11B C13B 1.221(16) . ?
O12B C14B 1.2507(10) . ?
O13B C15B 1.26(2) . ?
O14B C16B 1.223(3) . ?
O15B C17B 1.2503(10) . ?
O16B C18B 1.450(2) . ?
O16B C19B 1.450(2) . ?
N1B C5B 1.304(17) . ?
N1B C2B 1.491(13) . ?
N2B C6B 1.335(13) . ?
N2B C8A 1.387(12) . ?
N3B C7B 1.286(14) . ?
N3B C15A 1.391(12) . ?
N4B C8B 1.327(12) . ?
N4B C26A 1.441(11) . ?
N5B C9B 1.350(2) . ?
N5B C35A 1.467(13) . ?
N6B C10B 1.420(18) . ?
N6B C44A 1.420(11) . ?
N7B C11B 1.3499(10) . ?
N7B C53A 1.433(12) . ?
N8B C12B 1.32(2) . ?
N8B C62A 1.356(16) . ?
N9A C73A 1.3900 . ?
N9A C81A 1.3900 . ?
C73A C74A 1.3900 . ?
C73A C13B 1.500(2) . ?
C74A C75A 1.3900 . ?
C75A C76A 1.3900 . ?
C76A C81A 1.3900 . ?
C76A C77A 1.3900 . ?
C81A C80A 1.3900 . ?
C80A C79A 1.3900 . ?
C80A N10B 1.450(2) . ?
C79A C78A 1.3900 . ?
C78A C77A 1.3900 . ?
C78A C35C 1.451(2) . ?
N9B C13B 1.343(17) . ?
N9B C71A 1.453(13) . ?
N10B C14B 1.3509(10) . ?
N11B C89A 1.338(17) . ?
N11B C15B 1.38(3) . ?
N12A C1AA 1.3900 . ?
N12A C9AA 1.3900 . ?
C1AA C2AA 1.3900 . ?
C1AA C16B 1.577(4) . ?
C2AA C3AA 1.3900 . ?
C3AA C4AA 1.3900 . ?
C4AA C9AA 1.3900 . ?
C4AA C5AA 1.3900 . ?
C9AA C8AA 1.3900 . ?
C8AA C7AA 1.3900 . ?
C8AA N13B 1.400(2) . ?
C7AA C6AA 1.3900 . ?
C6AA C5AA 1.3900 . ?
N12B C16B 1.3503(18) . ?
N12B C98A 1.429(5) . ?
N13B C17B 1.4503(11) . ?
C1B C2B 1.401(2) . ?
C1C C2C 1.500(2) . ?
C2B C3B 1.521(13) . ?
C2B C4B 1.538(12) . ?
C5B C1A 1.471(14) . ?
C6B C10A 1.510(13) . ?
C7B C19A 1.540(13) . ?
C7C C8C 1.500(2) . ?
C7C C24A 1.507(14) . ?
C8A C7A 1.3900 . ?
C8A C9A 1.3900 . ?
C7A C6A 1.3900 . ?
C6A C5A 1.3900 . ?
C5A C4A 1.3900 . ?
C4A C9A 1.3900 . ?
C4A C3A 1.3900 . ?
C9A N1A 1.3900 . ?
N1A C1A 1.3900 . ?
C1A C2A 1.3900 . ?
C2A C3A 1.3900 . ?
C8B C28A 1.495(13) . ?
C8C C9C 1.532(15) . ?
C9B C37A 1.472(17) . ?
C10B C46A 1.508(13) . ?
C11B C55A 1.431(14) . ?
C11C C12C 1.3900 . ?
C11C C10C 1.3900 . ?
C12C C13C 1.3900 . ?
C13C C14C 1.3900 . ?
C14C C9C 1.3900 . ?
C9C C10C 1.3900 . ?
C12B C64A 1.57(2) . ?
C14B C82A 1.502(2) . ?
C15A C16A 1.3900 . ?
C15A C14A 1.3900 . ?
C16A C17A 1.3900 . ?
C17A C18A 1.3900 . ?
C18A C13A 1.3900 . ?
C13A C14A 1.3900 . ?
C13A C12A 1.3900 . ?
C14A N2A 1.3900 . ?
N2A C10A 1.3900 . ?
C10A C11A 1.3900 . ?
C11A C12A 1.3900 . ?
C15B C91A 1.500(2) . ?
C15C C16C 1.424(18) . ?
C17B C18B 1.501(2) . ?
C17C C42A 1.450(2) . ?
C20C C21C 1.501(2) . ?
C21C C22C 1.500(2) . ?
C21C C23C 1.500(2) . ?
C26A C25A 1.3900 . ?
C26A C27A 1.3900 . ?
C25A C24A 1.3900 . ?
C24A C23A 1.3900 . ?
C23A C22A 1.3900 . ?
C22A C27A 1.3900 . ?
C22A C21A 1.3900 . ?
C27A N3A 1.3900 . ?
N3A C19A 1.3900 . ?
C19A C20A 1.3900 . ?
C20A C21A 1.3900 . ?
C27C C28C 1.47(3) . ?
C27C C69A 1.59(3) . ?
C28C C29C 1.450(2) . ?
C33C C32C 1.3900 . ?
C33C C34C 1.3900 . ?
C32C C31C 1.3900 . ?
C31C C30C 1.3900 . ?
C30C C29C 1.3900 . ?
C29C C34C 1.3900 . ?
C35A C34A 1.3900 . ?
C35A C36A 1.3900 . ?
C34A C33A 1.3900 . ?
C33A C32A 1.3900 . ?
C32A C31A 1.3900 . ?
C31A C36A 1.3900 . ?
C31A C30A 1.3900 . ?
C36A N4A 1.3900 . ?
N4A C28A 1.3900 . ?
C28A C29A 1.3900 . ?
C29A C30A 1.3900 . ?
C44A C43A 1.3900 . ?
C44A C45A 1.3900 . ?
C43A C42A 1.3900 . ?
C42A C41A 1.3900 . ?
C41A C40A 1.3900 . ?
C40A C45A 1.3900 . ?
C40A C39A 1.3900 . ?
C45A N5A 1.3900 . ?
N5A C37A 1.3900 . ?
C37A C38A 1.3900 . ?
C38A C39A 1.3900 . ?
O12C C93A 1.308(16) . ?
C53A C52A 1.3900 . ?
C53A C54A 1.3900 . ?
C52A C51A 1.3900 . ?
C51A C50A 1.3900 . ?
C50A C49A 1.3900 . ?
C49A C54A 1.3900 . ?
C49A C48A 1.3900 . ?
C54A N6A 1.3900 . ?
N6A C46A 1.3900 . ?
C46A C47A 1.3900 . ?
C47A C48A 1.3900 . ?
C62A C61A 1.3900 . ?
C62A C63A 1.3900 . ?
C61A C60A 1.3900 . ?
C60A C59A 1.3900 . ?
C59A C58A 1.3900 . ?
C58A C63A 1.3900 . ?
C58A C57A 1.3900 . ?
C63A N7A 1.3900 . ?
N7A C55A 1.3900 . ?
C55A C56A 1.3900 . ?
C56A C57A 1.3900 . ?
C66A C65A 1.3900 . ?
C66A C67A 1.3900 . ?
C65A C64A 1.3900 . ?
C64A N8A 1.3900 . ?
N8A C72A 1.3900 . ?
C72A C67A 1.3900 . ?
C72A C71A 1.3900 . ?
C67A C68A 1.3900 . ?
C68A C69A 1.3900 . ?
C69A C70A 1.3900 . ?
C70A C71A 1.3900 . ?
C89A C88A 1.3900 . ?
C89A C90A 1.3900 . ?
C88A C87A 1.3900 . ?
C87A C86A 1.3900 . ?
C86A C85A 1.3900 . ?
C85A C90A 1.3900 . ?
C85A C84A 1.3900 . ?
C90A N10A 1.3900 . ?
N10A C82A 1.3900 . ?
C82A C83A 1.3900 . ?
C83A C84A 1.3900 . ?
C98A C97A 1.3900 . ?
C98A C99A 1.3900 . ?
C97A C96A 1.3900 . ?
C96A C95A 1.3900 . ?
C95A C94A 1.3900 . ?
C94A C99A 1.3900 . ?
C94A C93A 1.3900 . ?
C99A N11A 1.3900 . ?
N11A C91A 1.3900 . ?
C91A C92A 1.3900 . ?
C92A C93A 1.3900 . ?
O1F C3D 1.373(13) . ?
O1F C1F 1.449(2) . ?
O2F C12D 1.451(2) . ?
C2E N1E 1.450(2) . ?
C2E C3E 1.461(18) . ?
C2E C1E 1.502(2) . ?
C2E C4E 1.55(2) . ?
C1E O1E 1.256(14) . ?
C1E O2E 1.273(14) . ?
O3E C5E 1.250(2) . ?
O4E C6E 1.2501(10) . ?
O5E C7E 1.250(2) . ?
O6E C8E 1.207(14) . ?
O7E C9E 1.2498(10) . ?
O8E C10E 1.277(17) . ?
O8F C48D 1.393(14) . ?
O8F C20F 1.4500(10) . ?
O9E C11E 1.243(18) . ?
O9F C24F 1.449(2) . ?
O9F C57D 1.450(2) . ?
O10E C12E 1.136(17) . ?
O10F C40F 1.456(16) . ?
O11E C13E 1.218(13) . ?
O12E C14E 1.2502(10) . ?
O12F C93D 1.301(8) . ?
O12F C46F 1.4501(10) . ?
O13E C15E 1.25(2) . ?
O14E C16E 1.222(15) . ?
O15E C17E 1.2500(11) . ?
O16E C19E 1.449(2) . ?
O16E C18E 1.450(2) . ?
O17E C21E 1.451(2) . ?
O17E C20E 1.451(2) . ?
O18E C23E 1.450(2) . ?
O18E C22E 1.451(2) . ?
N1D C1D 1.3900 . ?
N1D C9D 1.3900 . ?
C1D C5E 1.372(7) . ?
C1D C2D 1.3900 . ?
C2D C3D 1.3900 . ?
C3D C4D 1.3900 . ?
C4D C9D 1.3900 . ?
C4D C5D 1.3900 . ?
C9D C8D 1.3900 . ?
C8D C7D 1.3900 . ?
C8D N2E 1.4493(19) . ?
C7D C6D 1.3900 . ?
C6D C5D 1.3900 . ?
N1E C5E 1.3499(10) . ?
N2D C10D 1.3900 . ?
N2D C18D 1.3900 . ?
C10D C11D 1.3900 . ?
C10D C6E 1.500(2) . ?
C11D C12D 1.3900 . ?
C12D C13D 1.3900 . ?
C13D C18D 1.3900 . ?
C13D C14D 1.3900 . ?
C18D C17D 1.3900 . ?
C17D C16D 1.3900 . ?
C17D N3E 1.4499(10) . ?
C16D C15D 1.3900 . ?
C15D C14D 1.3900 . ?
N2E C6E 1.3500(10) . ?
N3E C7E 1.289(16) . ?
N3F C50F 1.4501(10) . ?
N4D C28D 1.3900 . ?
N4D C36D 1.3900 . ?
C28D C29D 1.3900 . ?
C28D C8E 1.464(18) . ?
C29D C30D 1.3900 . ?
C30D C31D 1.3900 . ?
C31D C36D 1.3900 . ?
C31D C32D 1.3900 . ?
C36D C35D 1.3900 . ?
C35D C34D 1.3900 . ?
C35D N5E 1.450(2) . ?
C34D C33D 1.3900 . ?
C33D C32D 1.3900 . ?
N4E C26D 1.356(14) . ?
N4E C8E 1.450(17) . ?
N5D C37D 1.3900 . ?
N5D C45D 1.3900 . ?
C37D C38D 1.3900 . ?
C37D C9E 1.499(2) . ?
C38D C39D 1.3900 . ?
C39D C40D 1.3900 . ?
C40D C45D 1.3900 . ?
C40D C41D 1.3900 . ?
C45D C44D 1.3900 . ?
C44D C43D 1.3900 . ?
C44D N6E 1.452(12) . ?
C43D C42D 1.3900 . ?
C42D C41D 1.3900 . ?
C42D C17F 1.50(2) . ?
N5E C9E 1.350(2) . ?
N6D C46D 1.3900 . ?
N6D C50D 1.3900 . ?
C46D C47D 1.3900 . ?
C46D C10E 1.500(2) . ?
C47D C48D 1.3900 . ?
C48D C49D 1.3900 . ?
C49D C50D 1.3900 . ?
C49D C54D 1.3900 . ?
C50D C51D 1.3900 . ?
C51D C52D 1.3900 . ?
C51D N7E 1.414(14) . ?
C52D C53D 1.3900 . ?
C53D C54D 1.3900 . ?
N6E C10E 1.34(2) . ?
N7D C55D 1.3900 . ?
N7D C63D 1.3900 . ?
C55D C56D 1.3900 . ?
C55D C11E 1.500(2) . ?
C56D C57D 1.3900 . ?
C57D C58D 1.3900 . ?
C58D C63D 1.3900 . ?
C58D C59D 1.3900 . ?
C63D C62D 1.3900 . ?
C62D C61D 1.3900 . ?
C62D N8E 1.575(18) . ?
C61D C60D 1.3900 . ?
C60D C59D 1.3900 . ?
N7E C11E 1.3500(11) . ?
N8D C64D 1.3900 . ?
N8D C72D 1.3900 . ?
C64D C65D 1.3900 . ?
C64D C12E 1.500(2) . ?
C65D C66D 1.3900 . ?
C66D C67D 1.3900 . ?
C67D C72D 1.3900 . ?
C67D C68D 1.3900 . ?
C72D C71D 1.3900 . ?
C71D C70D 1.3900 . ?
C71D N9E 1.406(17) . ?
C70D C69D 1.3900 . ?
C69D C68D 1.3900 . ?
C69D C27F 1.537(18) . ?
N8E C12E 1.3500(10) . ?
N9D C73D 1.3900 . ?
N9D C81D 1.3900 . ?
C73D C74D 1.3900 . ?
C73D C13E 1.501(16) . ?
C74D C75D 1.3900 . ?
C75D C76D 1.3900 . ?
C76D C81D 1.3900 . ?
C76D C77D 1.3900 . ?
C81D C80D 1.3900 . ?
C80D C79D 1.3900 . ?
C80D N10E 1.450(2) . ?
C79D C78D 1.3900 . ?
C78D C77D 1.3900 . ?
C78D C35F 1.450(2) . ?
N9E C13E 1.333(18) . ?
N10D C82D 1.3900 . ?
N10D C90D 1.3900 . ?
C82D C83D 1.3900 . ?
C82D C14E 1.501(2) . ?
C83D C84D 1.3900 . ?
C84D C85D 1.3900 . ?
C85D C90D 1.3900 . ?
C85D C86D 1.3900 . ?
C90D C89D 1.3900 . ?
C89D C88D 1.3900 . ?
C89D N11E 1.462(12) . ?
C88D C87D 1.3900 . ?
C87D C86D 1.3900 . ?
C87D C43F 1.451(2) . ?
N10E C14E 1.3503(10) . ?
N11D C91D 1.3900 . ?
N11D C99D 1.3900 . ?
C91D C92D 1.3900 . ?
C91D C15E 1.500(2) . ?
C92D C93D 1.3900 . ?
C93D C94D 1.3900 . ?
C94D C99D 1.3900 . ?
C94D C95D 1.3900 . ?
C99D C98D 1.3900 . ?
C98D C97D 1.3900 . ?
C98D N12E 1.449(2) . ?
C97D C96D 1.3900 . ?
C96D C95D 1.3900 . ?
N11E C15E 1.40(2) . ?
N12D C1DD 1.3900 . ?
N12D C9DD 1.3900 . ?
C1DD C2DD 1.3900 . ?
C1DD C16E 1.500(2) . ?
C2DD C3DD 1.3900 . ?
C3DD C4DD 1.3900 . ?
C3DD C50F 1.39(2) . ?
C4DD C9DD 1.3900 . ?
C4DD C5DD 1.3900 . ?
C9DD C8DD 1.3900 . ?
C8DD N13E 1.357(12) . ?
C8DD C7DD 1.3900 . ?
C7DD C6DD 1.3900 . ?
C6DD C5DD 1.3900 . ?
N12E C16E 1.3500(10) . ?
N13E C17E 1.351(14) . ?
C1F C2F 1.501(2) . ?
C2F C3F 1.500(2) . ?
C2F C4F 1.500(2) . ?
C7E C19D 1.480(18) . ?
C7F C24D 1.476(15) . ?
C7F C8F 1.501(2) . ?
C8F C9F 1.506(15) . ?
C9F C14F 1.3900 . ?
C9F C10F 1.3900 . ?
C14F C13F 1.3900 . ?
C13F C12F 1.3900 . ?
C12F C11F 1.3900 . ?
C11F C10F 1.3900 . ?
C17E C18E 1.501(2) . ?
C19E C20E 1.499(2) . ?
C20F C21F 1.501(2) . ?
C21E C22E 1.500(2) . ?
C21F C23F 1.500(2) . ?
C26D C25D 1.3900 . ?
C26D C27D 1.3900 . ?
C25D C24D 1.3900 . ?
C24D C23D 1.3900 . ?
C23D C22D 1.3900 . ?
C22D C27D 1.3900 . ?
C22D C21D 1.3900 . ?
C27D N3D 1.3900 . ?
N3D C19D 1.3900 . ?
C19D C20D 1.3900 . ?
C20D C21D 1.3900 . ?
C27F C28F 1.500(2) . ?
C28F C29F 1.451(2) . ?
C29F C34F 1.3900 . ?
C29F C30F 1.3900 . ?
C34F C33F 1.3900 . ?
C33F C32F 1.3900 . ?
C32F C31F 1.3900 . ?
C31F C30F 1.3900 . ?
C35F C36F 1.501(2) . ?
C36F C37F 1.52(2) . ?
C39F C38F 1.3900 . ?
C39F C40F 1.3900 . ?
C38F C37F 1.3900 . ?
C37F C42F 1.3900 . ?
C42F C41F 1.3900 . ?
C41F C40F 1.3900 . ?
C46F C47F 1.501(2) . ?
C47F C49F 1.500(2) . ?
C47F C48F 1.500(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C15F O5F C30D 115.4(14) . . ?
O6F C16F C15F 120.3(18) . . ?
O5F C15F C16F 118.4(13) . . ?
C37C C36C C35C 115.1(13) . . ?
C38C C37C C42C 120.0 . . ?
C38C C37C C36C 120.6(12) . . ?
C42C C37C C36C 117.3(11) . . ?
C39C C38C C37C 120.0 . . ?
C38C C39C C40C 120.0 . . ?
C41C C40C C39C 120.0 . . ?
C41C C40C O10C 118.3(12) . . ?
C39C C40C O10C 121.2(12) . . ?
C40C C41C C42C 120.0 . . ?
C41C C42C C37C 120.0 . . ?
C26C C25C C24C 93.9(18) . . ?
C46C C47C C48C 97.1(14) . . ?
C46C C47C C49C 103.5(16) . . ?
C48C C47C C49C 110.0(17) . . ?
O12C C46C C47C 100.7(15) . . ?
N3C C50C C3AA 125.2(16) . . ?
C3A O1C C1C 119.7(9) . . ?
C12A O2C C5C 126.5(15) . . ?
C30A O5C C15C 121.6(9) . . ?
C48A O8C C20C 120.9(9) . . ?
C24C O9C C57A 120.4(15) . . ?
C18B O16B C19B 119.9(14) . . ?
C5B N1B C2B 122.1(12) . . ?
C6B N2B C8A 127.5(10) . . ?
C7B N3B C15A 128.4(9) . . ?
C8B N4B C26A 127.6(9) . . ?
C9B N5B C35A 126.6(11) . . ?
C10B N6B C44A 122.0(10) . . ?
C11B N7B C53A 126.7(10) . . ?
C12B N8B C62A 124.7(14) . . ?
C74A C73A N9A 120.0 . . ?
C74A C73A C13B 126.3(8) . . ?
N9A C73A C13B 113.5(8) . . ?
C75A C74A C73A 120.0 . . ?
C74A C75A C76A 120.0 . . ?
C81A C76A C75A 120.0 . . ?
C76A C81A C80A 120.0 . . ?
C76A C81A N9A 120.0 . . ?
C80A C81A N9A 120.0 . . ?
C79A C80A C81A 120.0 . . ?
C79A C80A N10B 126.0(4) . . ?
C81A C80A N10B 113.3(4) . . ?
C80A C79A C78A 120.0 . . ?
C77A C78A C79A 120.0 . . ?
C77A C78A C35C 119.9(4) . . ?
C79A C78A C35C 120.1(4) . . ?
C78A C77A C76A 120.0 . . ?
C13B N9B C71A 125.0(8) . . ?
C14B N10B C80A 127.1(7) . . ?
C89A N11B C15B 128.1(19) . . ?
N12A C1AA C2AA 120.0 . . ?
N12A C1AA C16B 115.63(16) . . ?
C2AA C1AA C16B 123.99(16) . . ?
C3AA C2AA C1AA 120.0 . . ?
C2AA C3AA C4AA 120.0 . . ?
C2AA C3AA C50C 118.6(3) . . ?
C4AA C3AA C50C 121.4(3) . . ?
C9AA C4AA C3AA 120.0 . . ?
C8AA C9AA C4AA 120.0 . . ?
C8AA C9AA N12A 120.0 . . ?
C4AA C9AA N12A 120.0 . . ?
C9AA C8AA C7AA 120.0 . . ?
C9AA C8AA N13B 120.7(7) . . ?
C7AA C8AA N13B 119.2(7) . . ?
C6AA C7AA C8AA 120.0 . . ?
C7AA C6AA C5AA 120.0 . . ?
C6AA C5AA C4AA 120.0 . . ?
C16B N12B C98A 123.3(2) . . ?
C8AA N13B C17B 137.0(12) . . ?
O2B C1B O1B 115.9(10) . . ?
O2B C1B C2B 125.0(12) . . ?
O1B C1B C2B 118.8(11) . . ?
O1C C1C C2C 117.3(12) . . ?
C1B C2B N1B 109.2(10) . . ?
C1B C2B C3B 108.7(11) . . ?
N1B C2B C3B 104.2(11) . . ?
C1B C2B C4B 110.2(12) . . ?
N1B C2B C4B 111.6(9) . . ?
C3B C2B C4B 112.8(10) . . ?
C1C C2C C3C 103.7(15) . . ?
C1C C2C C4C 105.7(14) . . ?
C3C C2C C4C 106.7(13) . . ?
O3B C5B N1B 123.1(13) . . ?
O3B C5B C1A 115.9(17) . . ?
N1B C5B C1A 120.4(15) . . ?
O4B C6B N2B 130.2(13) . . ?
O4B C6B C10A 115.3(11) . . ?
N2B C6B C10A 114.5(8) . . ?
O5B C7B N3B 128.1(11) . . ?
O5B C7B C19A 113.6(12) . . ?
N3B C7B C19A 118.3(10) . . ?
C8C C7C C24A 109.4(10) . . ?
N2B C8A C7A 126.1(6) . . ?
C6A C7A C8A 120.0 . . ?
C7A C6A C5A 120.0 . . ?
C6A C5A C4A 120.0 . . ?
C9A C4A C5A 120.0 . . ?
C4A C9A N1A 120.0 . . ?
C4A C9A C8A 120.0 . . ?
N1A C9A C8A 120.0 . . ?
C1A N1A C9A 120.0 . . ?
N1A C1A C2A 120.0 . . ?
N1A C1A C5B 115.8(10) . . ?
C2A C1A C5B 122.7(10) . . ?
C3A C2A C1A 120.0 . . ?
O1C C3A C2A 124.5(6) . . ?
O1C C3A C4A 115.5(6) . . ?
C2A C3A C4A 120.0 . . ?
O6B C8B N4B 128.4(12) . . ?
O6B C8B C28A 116.5(10) . . ?
N4B C8B C28A 115.1(11) . . ?
C7C C8C C9C 113.2(11) . . ?
O7B C9B N5B 127.1(15) . . ?
O7B C9B C37A 118.2(8) . . ?
N5B C9B C37A 114.6(13) . . ?
O8B C10B N6B 129.4(11) . . ?
O8B C10B C46A 120.4(14) . . ?
N6B C10B C46A 110.2(14) . . ?
O9B C11B N7B 124.4(12) . . ?
O9B C11B C55A 120.8(12) . . ?
N7B C11B C55A 114.5(11) . . ?
C12C C11C C10C 120.0 . . ?
C11C C12C C13C 120.0 . . ?
C14C C13C C12C 120.0 . . ?
C9C C14C C13C 120.0 . . ?
C14C C9C C10C 120.0 . . ?
C14C C9C C8C 120.0(11) . . ?
C10C C9C C8C 119.9(11) . . ?
C9C C10C C11C 120.0 . . ?
O10B C12B N8B 130.0(18) . . ?
O10B C12B C64A 108(2) . . ?
N8B C12B C64A 121.8(15) . . ?
O11B C13B N9B 130.8(8) . . ?
O11B C13B C73A 117.4(14) . . ?
N9B C13B C73A 111.6(13) . . ?
O12B C14B N10B 125.9(8) . . ?
O12B C14B C82A 118.0(8) . . ?
N10B C14B C82A 115.6(6) . . ?
C16A C15A N3B 128.2(6) . . ?
C14A C15A N3B 110.9(6) . . ?
C17A C16A C15A 120.0 . . ?
C16A C17A C18A 120.0 . . ?
C17A C18A C13A 120.0 . . ?
C14A C13A C18A 120.0 . . ?
N2A C14A C13A 120.0 . . ?
N2A C14A C15A 120.0 . . ?
C13A C14A C15A 120.0 . . ?
C10A N2A C14A 120.0 . . ?
N2A C10A C11A 120.0 . . ?
N2A C10A C6B 113.3(7) . . ?
C11A C10A C6B 126.5(7) . . ?
C10A C11A C12A 120.0 . . ?
O2C C12A C11A 123.2(6) . . ?
O2C C12A C13A 116.7(6) . . ?
C11A C12A C13A 120.0 . . ?
O13B C15B N11B 116.8(13) . . ?
O13B C15B C91A 121(2) . . ?
N11B C15B C91A 122(2) . . ?
C16C C15C O5C 102.0(11) . . ?
O14B C16B N12B 132.4(3) . . ?
O14B C16B C1AA 119.7(3) . . ?
N12B C16B C1AA 107.86(18) . . ?
O6C C16C O7C 121.2(17) . . ?
O6C C16C C15C 134.8(18) . . ?
O7C C16C C15C 104.0(15) . . ?
O15B C17B N13B 125.0(12) . . ?
O15B C17B C18B 121.9(11) . . ?
N13B C17B C18B 112.7(9) . . ?
O16B C18B C17B 113.7(11) . . ?
O8C C20C C21C 117.0(14) . . ?
C22C C21C C23C 110.8(12) . . ?
C22C C21C C20C 111(2) . . ?
C23C C21C C20C 124(2) . . ?
O9C C24C C25C 109.0(18) . . ?
C25A C26A N4B 127.0(5) . . ?
C27A C26A N4B 112.4(4) . . ?
C24A C25A C26A 120.0 . . ?
C23A C24A C25A 120.0 . . ?
C23A C24A C7C 124.3(7) . . ?
C25A C24A C7C 115.5(7) . . ?
C24A C23A C22A 120.0 . . ?
C27A C22A C23A 120.0 . . ?
N3A C27A C22A 120.0 . . ?
N3A C27A C26A 120.0 . . ?
C22A C27A C26A 120.0 . . ?
C27A N3A C19A 120.0 . . ?
N3A C19A C20A 120.0 . . ?
N3A C19A C7B 112.4(7) . . ?
C20A C19A C7B 126.9(7) . . ?
C21A C20A C19A 120.0 . . ?
C20A C21A C22A 120.0 . . ?
C28C C27C C69A 112.2(18) . . ?
C29C C28C C27C 112.4(17) . . ?
C32C C33C C34C 120.0 . . ?
C31C C32C C33C 120.0 . . ?
C32C C31C C30C 120.0 . . ?
C31C C30C C29C 120.0 . . ?
C30C C29C C34C 120.0 . . ?
C30C C29C C28C 128.0(14) . . ?
C34C C29C C28C 111.0(14) . . ?
C29C C34C C33C 120.0 . . ?
C34A C35A N5B 127.8(5) . . ?
C36A C35A N5B 111.5(5) . . ?
C35A C34A C33A 120.0 . . ?
C34A C33A C32A 120.0 . . ?
C31A C32A C33A 120.0 . . ?
C36A C31A C32A 120.0 . . ?
N4A C36A C31A 120.0 . . ?
N4A C36A C35A 120.0 . . ?
C31A C36A C35A 120.0 . . ?
C36A N4A C28A 120.0 . . ?
N4A C28A C29A 120.0 . . ?
N4A C28A C8B 115.7(7) . . ?
C29A C28A C8B 124.1(7) . . ?
C30A C29A C28A 120.0 . . ?
O5C C30A C29A 122.8(7) . . ?
O5C C30A C31A 117.2(7) . . ?
C29A C30A C31A 120.0 . . ?
C78A C35C C36C 116.5(11) . . ?
C43A C44A N6B 127.5(6) . . ?
C45A C44A N6B 111.9(6) . . ?
C44A C43A C42A 120.0 . . ?
C41A C42A C43A 120.0 . . ?
C41A C42A C17C 121.0(9) . . ?
C43A C42A C17C 118.9(9) . . ?
C40A C41A C42A 120.0 . . ?
C41A C40A C45A 120.0 . . ?
C40A C45A N5A 120.0 . . ?
C40A C45A C44A 120.0 . . ?
N5A C45A C44A 120.0 . . ?
C37A N5A C45A 120.0 . . ?
C38A C37A N5A 120.0 . . ?
C38A C37A C9B 127.1(6) . . ?
N5A C37A C9B 112.8(6) . . ?
C37A C38A C39A 120.0 . . ?
C38A C39A C40A 120.0 . . ?
C93A O12C C46C 125.4(15) . . ?
C52A C53A N7B 127.8(6) . . ?
C54A C53A N7B 111.8(6) . . ?
C51A C52A C53A 120.0 . . ?
C50A C51A C52A 120.0 . . ?
C51A C50A C49A 120.0 . . ?
C50A C49A C54A 120.0 . . ?
N6A C54A C49A 120.0 . . ?
N6A C54A C53A 120.0 . . ?
C49A C54A C53A 120.0 . . ?
C46A N6A C54A 120.0 . . ?
N6A C46A C47A 120.0 . . ?
N6A C46A C10B 118.6(9) . . ?
C47A C46A C10B 121.2(9) . . ?
C48A C47A C46A 120.0 . . ?
O8C C48A C47A 122.0(6) . . ?
O8C C48A C49A 118.0(6) . . ?
C47A C48A C49A 120.0 . . ?
N8B C62A C61A 129.0(8) . . ?
C60A C61A C62A 120.0 . . ?
C61A C60A C59A 120.0 . . ?
C58A C59A C60A 120.0 . . ?
C59A C58A C63A 120.0 . . ?
N7A C63A C58A 120.0 . . ?
N7A C63A C62A 120.0 . . ?
C58A C63A C62A 120.0 . . ?
C63A N7A C55A 120.0 . . ?
C56A C55A N7A 120.0 . . ?
C56A C55A C11B 122.1(9) . . ?
N7A C55A C11B 117.4(9) . . ?
C55A C56A C57A 120.0 . . ?
C56A C57A C58A 120.0 . . ?
C56A C57A O9C 122.3(9) . . ?
C58A C57A O9C 117.7(9) . . ?
C64A C65A C66A 120.0 . . ?
C65A C64A N8A 120.0 . . ?
C65A C64A C12B 129.2(10) . . ?
N8A C64A C12B 109.4(10) . . ?
C72A N8A C64A 120.0 . . ?
N8A C72A C67A 120.0 . . ?
C68A C67A C72A 120.0 . . ?
C68A C67A C66A 120.0 . . ?
C72A C67A C66A 120.0 . . ?
C67A C68A C69A 120.0 . . ?
C70A C69A C68A 120.0 . . ?
C70A C69A C27C 114.0(11) . . ?
C68A C69A C27C 124.7(11) . . ?
C69A C70A C71A 120.0 . . ?
C70A C71A C72A 120.0 . . ?
C70A C71A N9B 125.8(5) . . ?
C72A C71A N9B 113.7(5) . . ?
N11B C89A C88A 127.4(11) . . ?
C87A C88A C89A 120.0 . . ?
C88A C87A C86A 120.0 . . ?
C88A C87A C43C 119.99(6) . . ?
C86A C87A C43C 120.01(6) . . ?
C85A C86A C87A 120.0 . . ?
C86A C85A C90A 120.0 . . ?
N10A C90A C85A 120.0 . . ?
N10A C90A C89A 120.0 . . ?
C85A C90A C89A 120.0 . . ?
C90A N10A C82A 120.0 . . ?
C83A C82A N10A 120.0 . . ?
C83A C82A C14B 129.2(5) . . ?
N10A C82A C14B 110.1(5) . . ?
C82A C83A C84A 120.0 . . ?
C83A C84A C85A 120.0 . . ?
C97A C98A N12B 125.4(3) . . ?
C99A C98A N12B 114.5(3) . . ?
C98A C97A C96A 120.0 . . ?
C95A C96A C97A 120.0 . . ?
C96A C95A C94A 120.0 . . ?
C99A C94A C95A 120.0 . . ?
C94A C99A N11A 120.0 . . ?
C94A C99A C98A 120.0 . . ?
N11A C99A C98A 120.0 . . ?
C91A N11A C99A 120.0 . . ?
N11A C91A C92A 120.0 . . ?
N11A C91A C15B 106.0(13) . . ?
C92A C91A C15B 134.0(13) . . ?
C91A C92A C93A 120.0 . . ?
O12C C93A C92A 108.3(10) . . ?
O12C C93A C94A 131.4(11) . . ?
C92A C93A C94A 120.0 . . ?
C3D O1F C1F 119.7(12) . . ?
N1E C2E C3E 109.4(12) . . ?
N1E C2E C1E 116.9(10) . . ?
C3E C2E C1E 111.3(11) . . ?
N1E C2E C4E 101.2(12) . . ?
C3E C2E C4E 103.7(13) . . ?
C1E C2E C4E 113.0(15) . . ?
O1E C1E O2E 131.9(16) . . ?
O1E C1E C2E 118.0(16) . . ?
O2E C1E C2E 110.1(16) . . ?
C48D O8F C20F 122.1(12) . . ?
C24F O9F C57D 128.7(14) . . ?
C93D O12F C46F 117.1(9) . . ?
C19E O16E C18E 115.3(10) . . ?
C21E O17E C20E 113.9(8) . . ?
C23E O18E C22E 117.1(9) . . ?
C5E C1D C2D 121.21(17) . . ?
C5E C1D N1D 118.79(17) . . ?
C2D C1D N1D 120.0 . . ?
C1D C2D C3D 120.0 . . ?
O1F C3D C4D 117.0(6) . . ?
O1F C3D C2D 122.8(6) . . ?
C4D C3D C2D 120.0 . . ?
C3D C4D C9D 120.0 . . ?
C8D C9D C4D 120.0 . . ?
C8D C9D N1D 120.0 . . ?
C4D C9D N1D 120.0 . . ?
C7D C8D C9D 120.0 . . ?
C7D C8D N2E 124.83(19) . . ?
C9D C8D N2E 114.00(19) . . ?
C6D C7D C8D 120.0 . . ?
C7D C6D C5D 120.0 . . ?
C6D C5D C4D 120.0 . . ?
C5E N1E C2E 128.9(8) . . ?
N2D C10D C11D 120.0 . . ?
N2D C10D C6E 114.5(4) . . ?
C11D C10D C6E 125.5(4) . . ?
C12D C11D C10D 120.0 . . ?
C11D C12D C13D 120.0 . . ?
C11D C12D O2F 115.9(8) . . ?
C13D C12D O2F 123.9(8) . . ?
C18D C13D C12D 120.0 . . ?
C13D C18D C17D 120.0 . . ?
C13D C18D N2D 120.0 . . ?
C17D C18D N2D 120.0 . . ?
C16D C17D C18D 120.0 . . ?
C16D C17D N3E 124.1(7) . . ?
C18D C17D N3E 115.2(7) . . ?
C17D C16D C15D 120.0 . . ?
C14D C15D C16D 120.0 . . ?
C15D C14D C13D 120.0 . . ?
C6E N2E C8D 126.2(3) . . ?
C7E N3E C17D 130.4(13) . . ?
N4D C28D C29D 120.0 . . ?
N4D C28D C8E 118.0(8) . . ?
C29D C28D C8E 121.3(8) . . ?
C28D C29D C30D 120.0 . . ?
C31D C30D C29D 120.0 . . ?
C31D C30D O5F 118.4(8) . . ?
C29D C30D O5F 121.0(8) . . ?
C36D C31D C30D 120.0 . . ?
C31D C36D C35D 120.0 . . ?
C31D C36D N4D 120.0 . . ?
C35D C36D N4D 120.0 . . ?
C36D C35D C34D 120.0 . . ?
C36D C35D N5E 111.0(5) . . ?
C34D C35D N5E 128.6(5) . . ?
C33D C34D C35D 120.0 . . ?
C32D C33D C34D 120.0 . . ?
C33D C32D C31D 120.0 . . ?
C26D N4E C8E 131.1(10) . . ?
C38D C37D N5D 120.0 . . ?
C38D C37D C9E 124.4(6) . . ?
N5D C37D C9E 115.1(6) . . ?
C37D C38D C39D 120.0 . . ?
C38D C39D C40D 120.0 . . ?
C45D C40D C39D 120.0 . . ?
C40D C45D C44D 120.0 . . ?
C40D C45D N5D 120.0 . . ?
C44D C45D N5D 120.0 . . ?
C45D C44D C43D 120.0 . . ?
C45D C44D N6E 113.2(7) . . ?
C43D C44D N6E 126.3(7) . . ?
C44D C43D C42D 120.0 . . ?
C43D C42D C41D 120.0 . . ?
C43D C42D C17F 115.1(10) . . ?
C41D C42D C17F 124.9(10) . . ?
C42D C41D C40D 120.0 . . ?
C9E N5E C35D 125.6(8) . . ?
N6D C46D C47D 120.0 . . ?
N6D C46D C10E 118.4(10) . . ?
C47D C46D C10E 120.8(9) . . ?
C48D C47D C46D 120.0 . . ?
C47D C48D C49D 120.0 . . ?
C47D C48D O8F 124.5(7) . . ?
C49D C48D O8F 115.4(7) . . ?
C48D C49D C50D 120.0 . . ?
C51D C50D C49D 120.0 . . ?
C51D C50D N6D 120.0 . . ?
C49D C50D N6D 120.0 . . ?
C52D C51D C50D 120.0 . . ?
C52D C51D N7E 131.8(7) . . ?
C50D C51D N7E 107.8(7) . . ?
C51D C52D C53D 120.0 . . ?
C52D C53D C54D 120.0 . . ?
C53D C54D C49D 120.0 . . ?
C10E N6E C44D 125.6(10) . . ?
N7D C55D C56D 120.0 . . ?
N7D C55D C11E 110.2(8) . . ?
C56D C55D C11E 129.0(8) . . ?
C55D C56D C57D 120.0 . . ?
C58D C57D C56D 120.0 . . ?
C58D C57D O9F 125.6(7) . . ?
C56D C57D O9F 114.4(7) . . ?
C57D C58D C63D 120.0 . . ?
C58D C63D C62D 120.0 . . ?
C58D C63D N7D 120.0 . . ?
C62D C63D N7D 120.0 . . ?
C61D C62D C63D 120.0 . . ?
C61D C62D N8E 118.1(8) . . ?
C63D C62D N8E 121.6(8) . . ?
C60D C61D C62D 120.0 . . ?
C59D C60D C61D 120.0 . . ?
C60D C59D C58D 120.0 . . ?
C11E N7E C51D 118.4(11) . . ?
C65D C64D N8D 120.0 . . ?
C65D C64D C12E 117.5(12) . . ?
N8D C64D C12E 122.4(12) . . ?
C64D C65D C66D 120.0 . . ?
C67D C66D C65D 120.0 . . ?
C72D C67D C66D 120.0 . . ?
C67D C72D C71D 120.0 . . ?
C67D C72D N8D 120.0 . . ?
C71D C72D N8D 120.0 . . ?
C70D C71D C72D 120.0 . . ?
C70D C71D N9E 126.4(8) . . ?
C72D C71D N9E 113.3(8) . . ?
C71D C70D C69D 120.0 . . ?
C68D C69D C70D 120.0 . . ?
C68D C69D C27F 122.0(11) . . ?
C70D C69D C27F 117.9(12) . . ?
C69D C68D C67D 120.0 . . ?
C12E N8E C62D 131.6(9) . . ?
N9D C73D C74D 120.0 . . ?
N9D C73D C13E 117.3(8) . . ?
C74D C73D C13E 121.8(8) . . ?
C75D C74D C73D 120.0 . . ?
C76D C75D C74D 120.0 . . ?
C75D C76D C81D 120.0 . . ?
C80D C81D C76D 120.0 . . ?
C80D C81D N9D 120.0 . . ?
C76D C81D N9D 120.0 . . ?
C81D C80D C79D 120.0 . . ?
C81D C80D N10E 110.9(5) . . ?
C79D C80D N10E 128.8(5) . . ?
C78D C79D C80D 120.0 . . ?
C79D C78D C77D 120.0 . . ?
C79D C78D C35F 114.1(10) . . ?
C77D C78D C35F 125.9(10) . . ?
C78D C77D C76D 120.0 . . ?
C13E N9E C71D 130.8(10) . . ?
N10D C82D C83D 120.0 . . ?
N10D C82D C14E 112.0(3) . . ?
C83D C82D C14E 127.6(4) . . ?
C84D C83D C82D 120.0 . . ?
C83D C84D C85D 120.0 . . ?
C90D C85D C84D 120.0 . . ?
C89D C90D C85D 120.0 . . ?
C89D C90D N10D 120.0 . . ?
C85D C90D N10D 120.0 . . ?
C90D C89D C88D 120.0 . . ?
C90D C89D N11E 111.6(7) . . ?
C88D C89D N11E 127.7(7) . . ?
C87D C88D C89D 120.0 . . ?
C88D C87D C86D 120.0 . . ?
C88D C87D C43F 119.9(4) . . ?
C86D C87D C43F 120.1(4) . . ?
C87D C86D C85D 120.0 . . ?
C14E N10E C80D 128.1(6) . . ?
C92D C91D N11D 120.0 . . ?
C92D C91D C15E 124.5(10) . . ?
N11D C91D C15E 115.5(9) . . ?
C93D C92D C91D 120.0 . . ?
O12F C93D C92D 122.9(7) . . ?
O12F C93D C94D 117.1(7) . . ?
C92D C93D C94D 120.0 . . ?
C93D C94D C99D 120.0 . . ?
C98D C99D C94D 120.0 . . ?
C98D C99D N11D 120.0 . . ?
C94D C99D N11D 120.0 . . ?
C99D C98D C97D 120.0 . . ?
C99D C98D N12E 111.1(2) . . ?
C97D C98D N12E 128.4(2) . . ?
C98D C97D C96D 120.0 . . ?
C95D C96D C97D 120.0 . . ?
C96D C95D C94D 120.0 . . ?
C15E N11E C89D 125.6(13) . . ?
N12D C1DD C2DD 120.0 . . ?
N12D C1DD C16E 109.0(3) . . ?
C2DD C1DD C16E 131.0(3) . . ?
C3DD C2DD C1DD 120.0 . . ?
C2DD C3DD C4DD 120.0 . . ?
C2DD C3DD C50F 116.7(10) . . ?
C4DD C3DD C50F 122.6(10) . . ?
C3DD C4DD C9DD 120.0 . . ?
C8DD C9DD C4DD 120.0 . . ?
C8DD C9DD N12D 120.0 . . ?
C4DD C9DD N12D 120.0 . . ?
C9DD C8DD C7DD 120.0 . . ?
C6DD C7DD C8DD 120.0 . . ?
C5DD C6DD C7DD 120.0 . . ?
C6DD C5DD C4DD 120.0 . . ?
C16E N12E C98D 124.7(5) . . ?
C17E N13E C8DD 133.1(10) . . ?
O1F C1F C2F 104.6(13) . . ?
C3F C2F C4F 111.7(11) . . ?
C3F C2F C1F 104.5(14) . . ?
C4F C2F C1F 117.3(17) . . ?
O3E C5E N1E 112.9(4) . . ?
O3E C5E C1D 124.1(3) . . ?
N1E C5E C1D 123.0(5) . . ?
O4E C6E N2E 128.7(2) . . ?
O4E C6E C10D 118.9(3) . . ?
N2E C6E C10D 112.4(4) . . ?
O5E C7E N3E 127.6(17) . . ?
O5E C7E C19D 114.3(15) . . ?
N3E C7E C19D 118.0(8) . . ?
C24D C7F C8F 111.0(11) . . ?
O6E C8E N4E 120.1(15) . . ?
O6E C8E C28D 123.4(13) . . ?
N4E C8E C28D 116.3(12) . . ?
C7F C8F C9F 114.5(12) . . ?
O7E C9E N5E 127.6(9) . . ?
O7E C9E C37D 117.2(9) . . ?
N5E C9E C37D 115.2(8) . . ?
C14F C9F C10F 120.0 . . ?
C14F C9F C8F 119.9(9) . . ?
C10F C9F C8F 120.1(9) . . ?
C13F C14F C9F 120.0 . . ?
C14F C13F C12F 120.0 . . ?
C11F C12F C13F 120.0 . . ?
C10F C11F C12F 120.0 . . ?
C11F C10F C9F 120.0 . . ?
O8E C10E N6E 127.9(10) . . ?
O8E C10E C46D 122.9(17) . . ?
N6E C10E C46D 109.1(14) . . ?
O9E C11E N7E 134.1(11) . . ?
O9E C11E C55D 106.1(10) . . ?
N7E C11E C55D 118.9(12) . . ?
O10E C12E N8E 122.2(14) . . ?
O10E C12E C64D 131.3(18) . . ?
N8E C12E C64D 105.3(15) . . ?
O11E C13E N9E 124.0(14) . . ?
O11E C13E C73D 117.4(13) . . ?
N9E C13E C73D 117.9(12) . . ?
O12E C14E N10E 124.0(7) . . ?
O12E C14E C82D 117.7(8) . . ?
N10E C14E C82D 118.3(6) . . ?
O13E C15E N11E 126.2(11) . . ?
O13E C15E C91D 123.4(19) . . ?
N11E C15E C91D 110.5(15) . . ?
O14E C16E N12E 131.2(7) . . ?
O14E C16E C1DD 113.4(5) . . ?
N12E C16E C1DD 114.7(5) . . ?
O15E C17E N13E 139.5(12) . . ?
O15E C17E C18E 99.0(11) . . ?
N13E C17E C18E 121.0(9) . . ?
C42D C17F C18F 116(2) . . ?
O16E C18E C17E 111.5(9) . . ?
O16E C19E C20E 112.1(8) . . ?
O17E C20E C19E 107.7(8) . . ?
O8F C20F C21F 100.8(12) . . ?
O17E C21E C22E 108.6(8) . . ?
C23F C21F C22F 114.1(11) . . ?
C23F C21F C20F 111.1(11) . . ?
C22F C21F C20F 100.2(14) . . ?
O18E C22E C21E 109.4(9) . . ?
N4E C26D C25D 126.5(6) . . ?
C26D C25D C24D 120.0 . . ?
C23D C24D C25D 120.0 . . ?
C23D C24D C7F 124.6(8) . . ?
C25D C24D C7F 115.4(8) . . ?
C22D C23D C24D 120.0 . . ?
C27D C22D C23D 120.0 . . ?
C22D C27D N3D 120.0 . . ?
C22D C27D C26D 120.0 . . ?
N3D C27D C26D 120.0 . . ?
C19D N3D C27D 120.0 . . ?
C20D C19D N3D 120.0 . . ?
C20D C19D C7E 126.4(7) . . ?
N3D C19D C7E 113.1(7) . . ?
C19D C20D C21D 120.0 . . ?
C20D C21D C22D 120.0 . . ?
C28F C27F C69D 107.4(10) . . ?
C29F C28F C27F 111.1(13) . . ?
C34F C29F C30F 120.0 . . ?
C34F C29F C28F 124.6(14) . . ?
C30F C29F C28F 115.4(14) . . ?
C33F C34F C29F 120.0 . . ?
C34F C33F C32F 120.0 . . ?
C31F C32F C33F 120.0 . . ?
C30F C31F C32F 120.0 . . ?
C31F C30F C29F 120.0 . . ?
C78D C35F C36F 112.5(10) . . ?
C35F C36F C37F 116.4(15) . . ?
C38F C39F C40F 120.0 . . ?
C37F C38F C39F 120.0 . . ?
C42F C37F C38F 120.0 . . ?
C42F C37F C36F 125.0(14) . . ?
C38F C37F C36F 114.3(13) . . ?
C37F C42F C41F 120.0 . . ?
C40F C41F C42F 120.0 . . ?
C41F C40F C39F 120.0 . . ?
C41F C40F O10F 118.2(13) . . ?
C39F C40F O10F 121.7(13) . . ?
O12F C46F C47F 108.7(10) . . ?
C49F C47F C48F 111.6(12) . . ?
C49F C47F C46F 116.1(12) . . ?
C48F C47F C46F 108.5(11) . . ?
C3DD C50F N3F 111.2(16) . . ?

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
C30D O5F C15F C16F 167(3) . . . . ?
O6F C16F C15F O5F 152(3) . . . . ?
C35C C36C C37C C38C 132(3) . . . . ?
C35C C36C C37C C42C -31(4) . . . . ?
C42C C37C C38C C39C 0.0 . . . . ?
C36C C37C C38C C39C -163(3) . . . . ?
C37C C38C C39C C40C 0.0 . . . . ?
C38C C39C C40C C41C 0.0 . . . . ?
C38C C39C C40C O10C 172(4) . . . . ?
C39C C40C C41C C42C 0.0 . . . . ?
O10C C40C C41C C42C -172(4) . . . . ?
C40C C41C C42C C37C 0.0 . . . . ?
C38C C37C C42C C41C 0.0 . . . . ?
C36C C37C C42C C41C 164(3) . . . . ?
C48C C47C C46C O12C -173.5(16) . . . . ?
C49C C47C C46C O12C 73.9(18) . . . . ?
C81A N9A C73A C74A 0.0 . . . . ?
C81A N9A C73A C13B -176.5(5) . . . . ?
N9A C73A C74A C75A 0.0 . . . . ?
C13B C73A C74A C75A 176.0(6) . . . . ?
C73A C74A C75A C76A 0.0 . . . . ?
C74A C75A C76A C81A 0.0 . . . . ?
C74A C75A C76A C77A 180.0 . . . . ?
C75A C76A C81A C80A 180.0 . . . . ?
C77A C76A C81A C80A 0.0 . . . . ?
C75A C76A C81A N9A 0.0 . . . . ?
C77A C76A C81A N9A 180.0 . . . . ?
C73A N9A C81A C76A 0.0 . . . . ?
C73A N9A C81A C80A 180.0 . . . . ?
C76A C81A C80A C79A 0.0 . . . . ?
N9A C81A C80A C79A 180.0 . . . . ?
C76A C81A C80A N10B -170.5(5) . . . . ?
N9A C81A C80A N10B 9.5(5) . . . . ?
C81A C80A C79A C78A 0.0 . . . . ?
N10B C80A C79A C78A 169.2(6) . . . . ?
C80A C79A C78A C77A 0.0 . . . . ?
C80A C79A C78A C35C 180.0 . . . . ?
C79A C78A C77A C76A 0.0 . . . . ?
C35C C78A C77A C76A 180.0 . . . . ?
C81A C76A C77A C78A 0.0 . . . . ?
C75A C76A C77A C78A 180.0 . . . . ?
C79A C80A N10B C14B 18.2(14) . . . . ?
C81A C80A N10B C14B -171.9(9) . . . . ?
C9AA N12A C1AA C2AA 0.0 . . . . ?
C9AA N12A C1AA C16B -173.21(12) . . . . ?
N12A C1AA C2AA C3AA 0.0 . . . . ?
C16B C1AA C2AA C3AA 172.61(13) . . . . ?
C1AA C2AA C3AA C4AA 0.0 . . . . ?
C1AA C2AA C3AA C50C 180.0 . . . . ?
N3C C50C C3AA C2AA 62.1(19) . . . . ?
N3C C50C C3AA C4AA -117.9(19) . . . . ?
C2AA C3AA C4AA C9AA 0.0 . . . . ?
C50C C3AA C4AA C9AA 180.0 . . . . ?
C2AA C3AA C4AA C5AA 180.0 . . . . ?
C50C C3AA C4AA C5AA 0.0 . . . . ?
C3AA C4AA C9AA C8AA 180.0 . . . . ?
C5AA C4AA C9AA C8AA 0.0 . . . . ?
C3AA C4AA C9AA N12A 0.0 . . . . ?
C5AA C4AA C9AA N12A 180.0 . . . . ?
C1AA N12A C9AA C8AA 180.0 . . . . ?
C1AA N12A C9AA C4AA 0.0 . . . . ?
C4AA C9AA C8AA C7AA 0.0 . . . . ?
N12A C9AA C8AA C7AA 180.0 . . . . ?
C4AA C9AA C8AA N13B -175.6(10) . . . . ?
N12A C9AA C8AA N13B 4.4(10) . . . . ?
C9AA C8AA C7AA C6AA 0.0 . . . . ?
N13B C8AA C7AA C6AA 175.7(9) . . . . ?
C8AA C7AA C6AA C5AA 0.0 . . . . ?
C7AA C6AA C5AA C4AA 0.0 . . . . ?
C9AA C4AA C5AA C6AA 0.0 . . . . ?
C3AA C4AA C5AA C6AA 180.0 . . . . ?
C9AA C8AA N13B C17B 177(2) . . . . ?
C7AA C8AA N13B C17B 1(3) . . . . ?
C3A O1C C1C C2C 172.3(11) . . . . ?
O2B C1B C2B N1B 141.3(14) . . . . ?
O1B C1B C2B N1B -45.5(19) . . . . ?
O2B C1B C2B C3B -105.7(16) . . . . ?
O1B C1B C2B C3B 67.6(15) . . . . ?
O2B C1B C2B C4B 18(2) . . . . ?
O1B C1B C2B C4B -168.4(12) . . . . ?
C5B N1B C2B C1B -48.6(16) . . . . ?
C5B N1B C2B C3B -164.6(11) . . . . ?
C5B N1B C2B C4B 73.5(14) . . . . ?
O1C C1C C2C C3C -57.6(18) . . . . ?
O1C C1C C2C C4C 54.5(17) . . . . ?
C2B N1B C5B O3B -16.0(19) . . . . ?
C2B N1B C5B C1A 173.3(8) . . . . ?
C8A N2B C6B O4B 3(2) . . . . ?
C8A N2B C6B C10A -175.4(7) . . . . ?
C15A N3B C7B O5B 5.3(17) . . . . ?
C15A N3B C7B C19A -177.0(7) . . . . ?
C6B N2B C8A C7A 9.0(14) . . . . ?
C6B N2B C8A C9A -177.1(10) . . . . ?
N2B C8A C7A C6A 173.5(6) . . . . ?
C9A C8A C7A C6A 0.0 . . . . ?
C8A C7A C6A C5A 0.0 . . . . ?
C7A C6A C5A C4A 0.0 . . . . ?
C6A C5A C4A C9A 0.0 . . . . ?
C6A C5A C4A C3A 180.0 . . . . ?
C5A C4A C9A N1A 180.0 . . . . ?
C3A C4A C9A N1A 0.0 . . . . ?
C5A C4A C9A C8A 0.0 . . . . ?
C3A C4A C9A C8A 180.0 . . . . ?
N2B C8A C9A C4A -174.3(5) . . . . ?
C7A C8A C9A C4A 0.0 . . . . ?
N2B C8A C9A N1A 5.7(5) . . . . ?
C7A C8A C9A N1A 180.0 . . . . ?
C4A C9A N1A C1A 0.0 . . . . ?
C8A C9A N1A C1A 180.0 . . . . ?
C9A N1A C1A C2A 0.0 . . . . ?
C9A N1A C1A C5B -166.4(6) . . . . ?
O3B C5B C1A N1A -176.9(9) . . . . ?
N1B C5B C1A N1A -5.6(13) . . . . ?
O3B C5B C1A C2A 17.1(14) . . . . ?
N1B C5B C1A C2A -171.6(8) . . . . ?
N1A C1A C2A C3A 0.0 . . . . ?
C5B C1A C2A C3A 165.4(7) . . . . ?
C1C O1C C3A C2A 4.0(11) . . . . ?
C1C O1C C3A C4A -176.7(8) . . . . ?
C1A C2A C3A O1C 179.3(6) . . . . ?
C1A C2A C3A C4A 0.0 . . . . ?
C9A C4A C3A O1C -179.4(5) . . . . ?
C5A C4A C3A O1C 0.6(5) . . . . ?
C9A C4A C3A C2A 0.0 . . . . ?
C5A C4A C3A C2A 180.0 . . . . ?
C26A N4B C8B O6B 1.3(13) . . . . ?
C26A N4B C8B C28A 179.8(6) . . . . ?
C24A C7C C8C C9C 160.4(10) . . . . ?
C35A N5B C9B O7B 6.5(18) . . . . ?
C35A N5B C9B C37A -177.9(7) . . . . ?
C44A N6B C10B O8B -2.5(18) . . . . ?
C44A N6B C10B C46A -179.8(7) . . . . ?
C53A N7B C11B O9B -3.7(17) . . . . ?
C53A N7B C11B C55A -176.8(7) . . . . ?
C10C C11C C12C C13C 0.0 . . . . ?
C11C C12C C13C C14C 0.0 . . . . ?
C12C C13C C14C C9C 0.0 . . . . ?
C13C C14C C9C C10C 0.0 . . . . ?
C13C C14C C9C C8C 176.7(10) . . . . ?
C7C C8C C9C C14C -125.9(10) . . . . ?
C7C C8C C9C C10C 50.8(13) . . . . ?
C14C C9C C10C C11C 0.0 . . . . ?
C8C C9C C10C C11C -176.7(10) . . . . ?
C12C C11C C10C C9C 0.0 . . . . ?
C62A N8B C12B O10B 4(2) . . . . ?
C62A N8B C12B C64A -173.1(7) . . . . ?
C71A N9B C13B O11B 8.3(19) . . . . ?
C71A N9B C13B C73A -176.8(7) . . . . ?
C74A C73A C13B O11B 13.8(12) . . . . ?
N9A C73A C13B O11B -170.0(8) . . . . ?
C74A C73A C13B N9B -161.8(6) . . . . ?
N9A C73A C13B N9B 14.4(10) . . . . ?
C80A N10B C14B O12B -2(2) . . . . ?
C80A N10B C14B C82A -174.0(8) . . . . ?
C7B N3B C15A C16A 12.3(12) . . . . ?
C7B N3B C15A C14A -178.3(8) . . . . ?
C14A C15A C16A C17A 0.0 . . . . ?
N3B C15A C16A C17A 168.5(7) . . . . ?
C15A C16A C17A C18A 0.0 . . . . ?
C16A C17A C18A C13A 0.0 . . . . ?
C17A C18A C13A C14A 0.0 . . . . ?
C17A C18A C13A C12A 180.0 . . . . ?
C18A C13A C14A N2A 180.0 . . . . ?
C12A C13A C14A N2A 0.0 . . . . ?
C18A C13A C14A C15A 0.0 . . . . ?
C12A C13A C14A C15A 180.0 . . . . ?
C16A C15A C14A N2A 180.0 . . . . ?
N3B C15A C14A N2A 9.6(5) . . . . ?
C16A C15A C14A C13A 0.0 . . . . ?
N3B C15A C14A C13A -170.4(5) . . . . ?
C13A C14A N2A C10A 0.0 . . . . ?
C15A C14A N2A C10A 180.0 . . . . ?
C14A N2A C10A C11A 0.0 . . . . ?
C14A N2A C10A C6B -176.3(6) . . . . ?
O4B C6B C10A N2A -164.4(7) . . . . ?
N2B C6B C10A N2A 14.4(11) . . . . ?
O4B C6B C10A C11A 19.5(11) . . . . ?
N2B C6B C10A C11A -161.7(7) . . . . ?
N2A C10A C11A C12A 0.0 . . . . ?
C6B C10A C11A C12A 175.8(7) . . . . ?
C5C O2C C12A C11A -9(2) . . . . ?
C5C O2C C12A C13A 167.2(18) . . . . ?
C10A C11A C12A O2C 176.3(9) . . . . ?
C10A C11A C12A C13A 0.0 . . . . ?
C14A C13A C12A O2C -176.6(9) . . . . ?
C18A C13A C12A O2C 3.4(9) . . . . ?
C14A C13A C12A C11A 0.0 . . . . ?
C18A C13A C12A C11A 180.0 . . . . ?
C89A N11B C15B O13B 2(3) . . . . ?
C89A N11B C15B C91A 179.6(10) . . . . ?
C30A O5C C15C C16C 170.9(10) . . . . ?
C98A N12B C16B O14B 0.000(4) . . . . ?
C98A N12B C16B C1AA 180.000(3) . . . . ?
N12A C1AA C16B O14B -163.83(13) . . . . ?
C2AA C1AA C16B O14B 23.27(9) . . . . ?
N12A C1AA C16B N12B 16.17(13) . . . . ?
C2AA C1AA C16B N12B -156.73(9) . . . . ?
O5C C15C C16C O6C -25(2) . . . . ?
O5C C15C C16C O7C 154.5(11) . . . . ?
C8AA N13B C17B O15B 1(5) . . . . ?
C8AA N13B C17B C18B -173(2) . . . . ?
C19B O16B C18B C17B 155(3) . . . . ?
O15B C17B C18B O16B -171(3) . . . . ?
N13B C17B C18B O16B 3(4) . . . . ?
C48A O8C C20C C21C -176.8(13) . . . . ?
O8C C20C C21C C22C 34(3) . . . . ?
O8C C20C C21C C23C 170.1(18) . . . . ?
C57A O9C C24C C25C 174.5(15) . . . . ?
C26C C25C C24C O9C 73(2) . . . . ?
C8B N4B C26A C25A 8.9(9) . . . . ?
C8B N4B C26A C27A -179.8(6) . . . . ?
C27A C26A C25A C24A 0.0 . . . . ?
N4B C26A C25A C24A 170.6(5) . . . . ?
C26A C25A C24A C23A 0.0 . . . . ?
C26A C25A C24A C7C 174.2(6) . . . . ?
C8C C7C C24A C23A -85.5(10) . . . . ?
C8C C7C C24A C25A 100.5(9) . . . . ?
C25A C24A C23A C22A 0.0 . . . . ?
C7C C24A C23A C22A -173.7(7) . . . . ?
C24A C23A C22A C27A 0.0 . . . . ?
C24A C23A C22A C21A 180.0 . . . . ?
C23A C22A C27A N3A 180.0 . . . . ?
C21A C22A C27A N3A 0.0 . . . . ?
C23A C22A C27A C26A 0.0 . . . . ?
C21A C22A C27A C26A 180.0 . . . . ?
C25A C26A C27A N3A 180.0 . . . . ?
N4B C26A C27A N3A 8.1(4) . . . . ?
C25A C26A C27A C22A 0.0 . . . . ?
N4B C26A C27A C22A -171.9(4) . . . . ?
C22A C27A N3A C19A 0.0 . . . . ?
C26A C27A N3A C19A 180.0 . . . . ?
C27A N3A C19A C20A 0.0 . . . . ?
C27A N3A C19A C7B -170.9(5) . . . . ?
O5B C7B C19A N3A -170.1(6) . . . . ?
N3B C7B C19A N3A 12.0(10) . . . . ?
O5B C7B C19A C20A 19.8(10) . . . . ?
N3B C7B C19A C20A -158.1(7) . . . . ?
N3A C19A C20A C21A 0.0 . . . . ?
C7B C19A C20A C21A 169.4(6) . . . . ?
C19A C20A C21A C22A 0.0 . . . . ?
C27A C22A C21A C20A 0.0 . . . . ?
C23A C22A C21A C20A 180.0 . . . . ?
C69A C27C C28C C29C 168.8(14) . . . . ?
C34C C33C C32C C31C 0.0 . . . . ?
C33C C32C C31C C30C 0.0 . . . . ?
C32C C31C C30C C29C 0.0 . . . . ?
C31C C30C C29C C34C 0.0 . . . . ?
C31C C30C C29C C28C 167.4(15) . . . . ?
C27C C28C C29C C30C 25(2) . . . . ?
C27C C28C C29C C34C -166.6(15) . . . . ?
C30C C29C C34C C33C 0.0 . . . . ?
C28C C29C C34C C33C -169.4(12) . . . . ?
C32C C33C C34C C29C 0.0 . . . . ?
C9B N5B C35A C34A 7.9(12) . . . . ?
C9B N5B C35A C36A 178.7(8) . . . . ?
C36A C35A C34A C33A 0.0 . . . . ?
N5B C35A C34A C33A 170.1(6) . . . . ?
C35A C34A C33A C32A 0.0 . . . . ?
C34A C33A C32A C31A 0.0 . . . . ?
C33A C32A C31A C36A 0.0 . . . . ?
C33A C32A C31A C30A 180.0 . . . . ?
C32A C31A C36A N4A 180.0 . . . . ?
C30A C31A C36A N4A 0.0 . . . . ?
C32A C31A C36A C35A 0.0 . . . . ?
C30A C31A C36A C35A 180.0 . . . . ?
C34A C35A C36A N4A 180.0 . . . . ?
N5B C35A C36A N4A 8.4(5) . . . . ?
C34A C35A C36A C31A 0.0 . . . . ?
N5B C35A C36A C31A -171.6(5) . . . . ?
C31A C36A N4A C28A 0.0 . . . . ?
C35A C36A N4A C28A 180.0 . . . . ?
C36A N4A C28A C29A 0.0 . . . . ?
C36A N4A C28A C8B -175.3(5) . . . . ?
O6B C8B C28A N4A -167.5(5) . . . . ?
N4B C8B C28A N4A 13.8(8) . . . . ?
O6B C8B C28A C29A 17.4(9) . . . . ?
N4B C8B C28A C29A -161.3(5) . . . . ?
N4A C28A C29A C30A 0.0 . . . . ?
C8B C28A C29A C30A 174.9(5) . . . . ?
C15C O5C C30A C29A -6.9(11) . . . . ?
C15C O5C C30A C31A 173.8(7) . . . . ?
C28A C29A C30A O5C -179.3(7) . . . . ?
C28A C29A C30A C31A 0.0 . . . . ?
C36A C31A C30A O5C 179.3(6) . . . . ?
C32A C31A C30A O5C -0.7(6) . . . . ?
C36A C31A C30A C29A 0.0 . . . . ?
C32A C31A C30A C29A 180.0 . . . . ?
C77A C78A C35C C36C -105(2) . . . . ?
C79A C78A C35C C36C 75(2) . . . . ?
C37C C36C C35C C78A -173(2) . . . . ?
C10B N6B C44A C43A 17.2(10) . . . . ?
C10B N6B C44A C45A -171.8(7) . . . . ?
C45A C44A C43A C42A 0.0 . . . . ?
N6B C44A C43A C42A 170.3(6) . . . . ?
C44A C43A C42A C41A 0.0 . . . . ?
C44A C43A C42A C17C 176.0(9) . . . . ?
C43A C42A C41A C40A 0.0 . . . . ?
C17C C42A C41A C40A -175.9(10) . . . . ?
C42A C41A C40A C45A 0.0 . . . . ?
C42A C41A C40A C39A 180.0 . . . . ?
C41A C40A C45A N5A 180.0 . . . . ?
C39A C40A C45A N5A 0.0 . . . . ?
C41A C40A C45A C44A 0.0 . . . . ?
C39A C40A C45A C44A 180.0 . . . . ?
C43A C44A C45A C40A 0.0 . . . . ?
N6B C44A C45A C40A -171.7(5) . . . . ?
C43A C44A C45A N5A 180.0 . . . . ?
N6B C44A C45A N5A 8.3(5) . . . . ?
C40A C45A N5A C37A 0.0 . . . . ?
C44A C45A N5A C37A 180.0 . . . . ?
C45A N5A C37A C38A 0.0 . . . . ?
C45A N5A C37A C9B -175.5(6) . . . . ?
O7B C9B C37A C38A 18.0(14) . . . . ?
N5B C9B C37A C38A -158.0(6) . . . . ?
O7B C9B C37A N5A -166.9(8) . . . . ?
N5B C9B C37A N5A 17.1(11) . . . . ?
N5A C37A C38A C39A 0.0 . . . . ?
C9B C37A C38A C39A 174.8(7) . . . . ?
C37A C38A C39A C40A 0.0 . . . . ?
C41A C40A C39A C38A 180.0 . . . . ?
C45A C40A C39A C38A 0.0 . . . . ?
C47C C46C O12C C93A 149.0(17) . . . . ?
C11B N7B C53A C52A 15.0(12) . . . . ?
C11B N7B C53A C54A -172.7(8) . . . . ?
C54A C53A C52A C51A 0.0 . . . . ?
N7B C53A C52A C51A 171.7(6) . . . . ?
C53A C52A C51A C50A 0.0 . . . . ?
C52A C51A C50A C49A 0.0 . . . . ?
C51A C50A C49A C54A 0.0 . . . . ?
C51A C50A C49A C48A 180.0 . . . . ?
C50A C49A C54A N6A 180.0 . . . . ?
C48A C49A C54A N6A 0.0 . . . . ?
C50A C49A C54A C53A 0.0 . . . . ?
C48A C49A C54A C53A 180.0 . . . . ?
C52A C53A C54A N6A 180.0 . . . . ?
N7B C53A C54A N6A 7.0(5) . . . . ?
C52A C53A C54A C49A 0.0 . . . . ?
N7B C53A C54A C49A -173.0(5) . . . . ?
C49A C54A N6A C46A 0.0 . . . . ?
C53A C54A N6A C46A 180.0 . . . . ?
C54A N6A C46A C47A 0.0 . . . . ?
C54A N6A C46A C10B -174.3(6) . . . . ?
O8B C10B C46A N6A -168.3(9) . . . . ?
N6B C10B C46A N6A 9.3(9) . . . . ?
O8B C10B C46A C47A 17.4(13) . . . . ?
N6B C10B C46A C47A -164.9(6) . . . . ?
N6A C46A C47A C48A 0.0 . . . . ?
C10B C46A C47A C48A 174.2(6) . . . . ?
C20C O8C C48A C47A 5.8(11) . . . . ?
C20C O8C C48A C49A -172.6(8) . . . . ?
C46A C47A C48A O8C -178.4(6) . . . . ?
C46A C47A C48A C49A 0.0 . . . . ?
C50A C49A C48A O8C -1.6(6) . . . . ?
C54A C49A C48A O8C 178.4(6) . . . . ?
C50A C49A C48A C47A 180.0 . . . . ?
C54A C49A C48A C47A 0.0 . . . . ?
C12B N8B C62A C61A 10.9(16) . . . . ?
C12B N8B C62A C63A -176.3(11) . . . . ?
N8B C62A C61A C60A 172.2(8) . . . . ?
C63A C62A C61A C60A 0.0 . . . . ?
C62A C61A C60A C59A 0.0 . . . . ?
C61A C60A C59A C58A 0.0 . . . . ?
C60A C59A C58A C63A 0.0 . . . . ?
C60A C59A C58A C57A 180.0 . . . . ?
C59A C58A C63A N7A 180.0 . . . . ?
C57A C58A C63A N7A 0.0 . . . . ?
C59A C58A C63A C62A 0.0 . . . . ?
C57A C58A C63A C62A 180.0 . . . . ?
N8B C62A C63A N7A 6.4(7) . . . . ?
C61A C62A C63A N7A 180.0 . . . . ?
N8B C62A C63A C58A -173.6(7) . . . . ?
C61A C62A C63A C58A 0.0 . . . . ?
C58A C63A N7A C55A 0.0 . . . . ?
C62A C63A N7A C55A 180.0 . . . . ?
C63A N7A C55A C56A 0.0 . . . . ?
C63A N7A C55A C11B -171.6(6) . . . . ?
O9B C11B C55A C56A 22.6(13) . . . . ?
N7B C11B C55A C56A -164.0(7) . . . . ?
O9B C11B C55A N7A -165.9(8) . . . . ?
N7B C11B C55A N7A 7.5(11) . . . . ?
N7A C55A C56A C57A 0.0 . . . . ?
C11B C55A C56A C57A 171.2(7) . . . . ?
C55A C56A C57A C58A 0.0 . . . . ?
C55A C56A C57A O9C 179.1(10) . . . . ?
C59A C58A C57A C56A 180.0 . . . . ?
C63A C58A C57A C56A 0.0 . . . . ?
C59A C58A C57A O9C 0.9(9) . . . . ?
C63A C58A C57A O9C -179.1(9) . . . . ?
C24C O9C C57A C56A -4.1(19) . . . . ?
C24C O9C C57A C58A 175.0(14) . . . . ?
C67A C66A C65A C64A 0.0 . . . . ?
C66A C65A C64A N8A 0.0 . . . . ?
C66A C65A C64A C12B 164.8(8) . . . . ?
O10B C12B C64A C65A 20.2(11) . . . . ?
N8B C12B C64A C65A -162.0(9) . . . . ?
O10B C12B C64A N8A -173.7(6) . . . . ?
N8B C12B C64A N8A 4.0(13) . . . . ?
C65A C64A N8A C72A 0.0 . . . . ?
C12B C64A N8A C72A -167.6(6) . . . . ?
C64A N8A C72A C67A 0.0 . . . . ?
C64A N8A C72A C71A 180.0 . . . . ?
N8A C72A C67A C68A 180.0 . . . . ?
C71A C72A C67A C68A 0.0 . . . . ?
N8A C72A C67A C66A 0.0 . . . . ?
C71A C72A C67A C66A 180.0 . . . . ?
C65A C66A C67A C68A 180.0 . . . . ?
C65A C66A C67A C72A 0.0 . . . . ?
C72A C67A C68A C69A 0.0 . . . . ?
C66A C67A C68A C69A 180.0 . . . . ?
C67A C68A C69A C70A 0.0 . . . . ?
C67A C68A C69A C27C -166.1(12) . . . . ?
C28C C27C C69A C70A -156.4(14) . . . . ?
C28C C27C C69A C68A 10(2) . . . . ?
C68A C69A C70A C71A 0.0 . . . . ?
C27C C69A C70A C71A 167.5(11) . . . . ?
C69A C70A C71A C72A 0.0 . . . . ?
C69A C70A C71A N9B 170.7(6) . . . . ?
N8A C72A C71A C70A 180.0 . . . . ?
C67A C72A C71A C70A 0.0 . . . . ?
N8A C72A C71A N9B 8.2(6) . . . . ?
C67A C72A C71A N9B -171.8(6) . . . . ?
C13B N9B C71A C70A 6.6(12) . . . . ?
C13B N9B C71A C72A 177.8(8) . . . . ?
C15B N11B C89A C88A 3.6(19) . . . . ?
C15B N11B C89A C90A 178.7(14) . . . . ?
N11B C89A C88A C87A 174.8(7) . . . . ?
C90A C89A C88A C87A 0.0 . . . . ?
C89A C88A C87A C86A 0.0 . . . . ?
C89A C88A C87A C43C 180.0 . . . . ?
C88A C87A C86A C85A 0.0 . . . . ?
C43C C87A C86A C85A 180.0 . . . . ?
C87A C86A C85A C90A 0.0 . . . . ?
C87A C86A C85A C84A 180.0 . . . . ?
C86A C85A C90A N10A 180.0 . . . . ?
C84A C85A C90A N10A 0.0 . . . . ?
C86A C85A C90A C89A 0.0 . . . . ?
C84A C85A C90A C89A 180.0 . . . . ?
N11B C89A C90A N10A 4.4(6) . . . . ?
C88A C89A C90A N10A 180.0 . . . . ?
N11B C89A C90A C85A -175.6(6) . . . . ?
C88A C89A C90A C85A 0.0 . . . . ?
C85A C90A N10A C82A 0.0 . . . . ?
C89A C90A N10A C82A 180.0 . . . . ?
C90A N10A C82A C83A 0.0 . . . . ?
C90A N10A C82A C14B -171.0(6) . . . . ?
O12B C14B C82A C83A 23.6(14) . . . . ?
N10B C14B C82A C83A -163.8(7) . . . . ?
O12B C14B C82A N10A -166.5(9) . . . . ?
N10B C14B C82A N10A 6.1(11) . . . . ?
N10A C82A C83A C84A 0.0 . . . . ?
C14B C82A C83A C84A 169.0(7) . . . . ?
C82A C83A C84A C85A 0.0 . . . . ?
C86A C85A C84A C83A 180.0 . . . . ?
C90A C85A C84A C83A 0.0 . . . . ?
C16B N12B C98A C97A 10.0(2) . . . . ?
C16B N12B C98A C99A -173.05(15) . . . . ?
C99A C98A C97A C96A 0.0 . . . . ?
N12B C98A C97A C96A 176.8(2) . . . . ?
C98A C97A C96A C95A 0.0 . . . . ?
C97A C96A C95A C94A 0.0 . . . . ?
C96A C95A C94A C99A 0.0 . . . . ?
C96A C95A C94A C93A 180.0 . . . . ?
C95A C94A C99A N11A 180.0 . . . . ?
C93A C94A C99A N11A 0.0 . . . . ?
C95A C94A C99A C98A 0.0 . . . . ?
C93A C94A C99A C98A 180.0 . . . . ?
C97A C98A C99A C94A 0.0 . . . . ?
N12B C98A C99A C94A -177.2(2) . . . . ?
C97A C98A C99A N11A 180.0 . . . . ?
N12B C98A C99A N11A 2.8(2) . . . . ?
C94A C99A N11A C91A 0.0 . . . . ?
C98A C99A N11A C91A 180.0 . . . . ?
C99A N11A C91A C92A 0.0 . . . . ?
C99A N11A C91A C15B -178.3(8) . . . . ?
O13B C15B C91A N11A -156.1(17) . . . . ?
N11B C15B C91A N11A 26.2(17) . . . . ?
O13B C15B C91A C92A 26(2) . . . . ?
N11B C15B C91A C92A -151.7(13) . . . . ?
N11A C91A C92A C93A 0.0 . . . . ?
C15B C91A C92A C93A 177.7(11) . . . . ?
C46C O12C C93A C92A 6(2) . . . . ?
C46C O12C C93A C94A -166.6(13) . . . . ?
C91A C92A C93A O12C -173.6(10) . . . . ?
C91A C92A C93A C94A 0.0 . . . . ?
C99A C94A C93A O12C 171.9(13) . . . . ?
C95A C94A C93A O12C -8.1(13) . . . . ?
C99A C94A C93A C92A 0.0 . . . . ?
C95A C94A C93A C92A 180.0 . . . . ?
N1E C2E C1E O1E -124.2(13) . . . . ?
C3E C2E C1E O1E 109.0(13) . . . . ?
C4E C2E C1E O1E -7.2(12) . . . . ?
N1E C2E C1E O2E 55.9(13) . . . . ?
C3E C2E C1E O2E -70.9(13) . . . . ?
C4E C2E C1E O2E 172.9(12) . . . . ?
C9D N1D C1D C5E 180.0 . . . . ?
C9D N1D C1D C2D 0.0 . . . . ?
C5E C1D C2D C3D 180.0 . . . . ?
N1D C1D C2D C3D 0.0 . . . . ?
C1F O1F C3D C4D 177.4(12) . . . . ?
C1F O1F C3D C2D -7.5(16) . . . . ?
C1D C2D C3D O1F -175.0(7) . . . . ?
C1D C2D C3D C4D 0.0 . . . . ?
O1F C3D C4D C9D 175.2(6) . . . . ?
C2D C3D C4D C9D 0.0 . . . . ?
O1F C3D C4D C5D -4.8(6) . . . . ?
C2D C3D C4D C5D 180.0 . . . . ?
C3D C4D C9D C8D 180.0 . . . . ?
C5D C4D C9D C8D 0.0 . . . . ?
C3D C4D C9D N1D 0.0 . . . . ?
C5D C4D C9D N1D 180.0 . . . . ?
C1D N1D C9D C8D 180.0 . . . . ?
C1D N1D C9D C4D 0.0 . . . . ?
C4D C9D C8D C7D 0.0 . . . . ?
N1D C9D C8D C7D 180.0 . . . . ?
C4D C9D C8D N2E 168.23(9) . . . . ?
N1D C9D C8D N2E -11.77(9) . . . . ?
C9D C8D C7D C6D 0.0 . . . . ?
N2E C8D C7D C6D -166.88(12) . . . . ?
C8D C7D C6D C5D 0.0 . . . . ?
C7D C6D C5D C4D 0.0 . . . . ?
C3D C4D C5D C6D 180.0 . . . . ?
C9D C4D C5D C6D 0.0 . . . . ?
C3E C2E N1E C5E 148.9(10) . . . . ?
C1E C2E N1E C5E 21(2) . . . . ?
C4E C2E N1E C5E -102.1(12) . . . . ?
C18D N2D C10D C11D 0.0 . . . . ?
C18D N2D C10D C6E -179.7(2) . . . . ?
N2D C10D C11D C12D 0.0 . . . . ?
C6E C10D C11D C12D 179.7(2) . . . . ?
C10D C11D C12D C13D 0.0 . . . . ?
C10D C11D C12D O2F -175.3(12) . . . . ?
C11D C12D C13D C18D 0.0 . . . . ?
O2F C12D C13D C18D 174.9(13) . . . . ?
C11D C12D C13D C14D 180.0 . . . . ?
O2F C12D C13D C14D -5.1(13) . . . . ?
C12D C13D C18D C17D 180.0 . . . . ?
C14D C13D C18D C17D 0.0 . . . . ?
C12D C13D C18D N2D 0.0 . . . . ?
C14D C13D C18D N2D 180.0 . . . . ?
C10D N2D C18D C13D 0.0 . . . . ?
C10D N2D C18D C17D 180.0 . . . . ?
C13D C18D C17D C16D 0.0 . . . . ?
N2D C18D C17D C16D 180.0 . . . . ?
C13D C18D C17D N3E 170.9(6) . . . . ?
N2D C18D C17D N3E -9.1(6) . . . . ?
C18D C17D C16D C15D 0.0 . . . . ?
N3E C17D C16D C15D -170.0(6) . . . . ?
C17D C16D C15D C14D 0.0 . . . . ?
C16D C15D C14D C13D 0.0 . . . . ?
C18D C13D C14D C15D 0.0 . . . . ?
C12D C13D C14D C15D 180.0 . . . . ?
C7D C8D N2E C6E -18.17(11) . . . . ?
C9D C8D N2E C6E 174.27(8) . . . . ?
C16D C17D N3E C7E -14.1(17) . . . . ?
C18D C17D N3E C7E 175.4(12) . . . . ?
C36D N4D C28D C29D 0.0 . . . . ?
C36D N4D C28D C8E 170.1(7) . . . . ?
N4D C28D C29D C30D 0.0 . . . . ?
C8E C28D C29D C30D -169.7(8) . . . . ?
C28D C29D C30D C31D 0.0 . . . . ?
C28D C29D C30D O5F 171.4(13) . . . . ?
C15F O5F C30D C31D -143(2) . . . . ?
C15F O5F C30D C29D 45(3) . . . . ?
C29D C30D C31D C36D 0.0 . . . . ?
O5F C30D C31D C36D -171.6(13) . . . . ?
C29D C30D C31D C32D 180.0 . . . . ?
O5F C30D C31D C32D 8.4(13) . . . . ?
C30D C31D C36D C35D 180.0 . . . . ?
C32D C31D C36D C35D 0.0 . . . . ?
C30D C31D C36D N4D 0.0 . . . . ?
C32D C31D C36D N4D 180.0 . . . . ?
C28D N4D C36D C31D 0.0 . . . . ?
C28D N4D C36D C35D 180.0 . . . . ?
C31D C36D C35D C34D 0.0 . . . . ?
N4D C36D C35D C34D 180.0 . . . . ?
C31D C36D C35D N5E 173.7(7) . . . . ?
N4D C36D C35D N5E -6.3(7) . . . . ?
C36D C35D C34D C33D 0.0 . . . . ?
N5E C35D C34D C33D -172.4(8) . . . . ?
C35D C34D C33D C32D 0.0 . . . . ?
C34D C33D C32D C31D 0.0 . . . . ?
C36D C31D C32D C33D 0.0 . . . . ?
C30D C31D C32D C33D 180.0 . . . . ?
C45D N5D C37D C38D 0.0 . . . . ?
C45D N5D C37D C9E 172.7(7) . . . . ?
N5D C37D C38D C39D 0.0 . . . . ?
C9E C37D C38D C39D -172.0(8) . . . . ?
C37D C38D C39D C40D 0.0 . . . . ?
C38D C39D C40D C45D 0.0 . . . . ?
C38D C39D C40D C41D 180.0 . . . . ?
C39D C40D C45D C44D 180.0 . . . . ?
C41D C40D C45D C44D 0.0 . . . . ?
C39D C40D C45D N5D 0.0 . . . . ?
C41D C40D C45D N5D 180.0 . . . . ?
C37D N5D C45D C40D 0.0 . . . . ?
C37D N5D C45D C44D 180.0 . . . . ?
C40D C45D C44D C43D 0.0 . . . . ?
N5D C45D C44D C43D 180.0 . . . . ?
C40D C45D C44D N6E 172.4(5) . . . . ?
N5D C45D C44D N6E -7.6(5) . . . . ?
C45D C44D C43D C42D 0.0 . . . . ?
N6E C44D C43D C42D -171.3(6) . . . . ?
C44D C43D C42D C41D 0.0 . . . . ?
C44D C43D C42D C17F -178.5(10) . . . . ?
C43D C42D C41D C40D 0.0 . . . . ?
C17F C42D C41D C40D 178.4(12) . . . . ?
C45D C40D C41D C42D 0.0 . . . . ?
C39D C40D C41D C42D 180.0 . . . . ?
C36D C35D N5E C9E -175.5(9) . . . . ?
C34D C35D N5E C9E -2.6(14) . . . . ?
C50D N6D C46D C47D 0.0 . . . . ?
C50D N6D C46D C10E 170.1(7) . . . . ?
N6D C46D C47D C48D 0.0 . . . . ?
C10E C46D C47D C48D -169.8(8) . . . . ?
C46D C47D C48D C49D 0.0 . . . . ?
C46D C47D C48D O8F -177.9(8) . . . . ?
C20F O8F C48D C47D -3.8(17) . . . . ?
C20F O8F C48D C49D 178.2(11) . . . . ?
C47D C48D C49D C50D 0.0 . . . . ?
O8F C48D C49D C50D 178.1(8) . . . . ?
C47D C48D C49D C54D 180.0 . . . . ?
O8F C48D C49D C54D -1.9(8) . . . . ?
C48D C49D C50D C51D 180.0 . . . . ?
C54D C49D C50D C51D 0.0 . . . . ?
C48D C49D C50D N6D 0.0 . . . . ?
C54D C49D C50D N6D 180.0 . . . . ?
C46D N6D C50D C51D 180.0 . . . . ?
C46D N6D C50D C49D 0.0 . . . . ?
C49D C50D C51D C52D 0.0 . . . . ?
N6D C50D C51D C52D 180.0 . . . . ?
C49D C50D C51D N7E 173.5(6) . . . . ?
N6D C50D C51D N7E -6.5(6) . . . . ?
C50D C51D C52D C53D 0.0 . . . . ?
N7E C51D C52D C53D -171.7(8) . . . . ?
C51D C52D C53D C54D 0.0 . . . . ?
C52D C53D C54D C49D 0.0 . . . . ?
C48D C49D C54D C53D 180.0 . . . . ?
C50D C49D C54D C53D 0.0 . . . . ?
C45D C44D N6E C10E 177.7(8) . . . . ?
C43D C44D N6E C10E -10.4(11) . . . . ?
C63D N7D C55D C56D 0.0 . . . . ?
C63D N7D C55D C11E 170.8(9) . . . . ?
N7D C55D C56D C57D 0.0 . . . . ?
C11E C55D C56D C57D -168.9(11) . . . . ?
C55D C56D C57D C58D 0.0 . . . . ?
C55D C56D C57D O9F 178.5(7) . . . . ?
C24F O9F C57D C58D 170.6(14) . . . . ?
C24F O9F C57D C56D -7.8(18) . . . . ?
C56D C57D C58D C63D 0.0 . . . . ?
O9F C57D C58D C63D -178.4(7) . . . . ?
C56D C57D C58D C59D 180.0 . . . . ?
O9F C57D C58D C59D 1.6(7) . . . . ?
C57D C58D C63D C62D 180.0 . . . . ?
C59D C58D C63D C62D 0.0 . . . . ?
C57D C58D C63D N7D 0.0 . . . . ?
C59D C58D C63D N7D 180.0 . . . . ?
C55D N7D C63D C58D 0.0 . . . . ?
C55D N7D C63D C62D 180.0 . . . . ?
C58D C63D C62D C61D 0.0 . . . . ?
N7D C63D C62D C61D 180.0 . . . . ?
C58D C63D C62D N8E 172.9(6) . . . . ?
N7D C63D C62D N8E -7.1(6) . . . . ?
C63D C62D C61D C60D 0.0 . . . . ?
N8E C62D C61D C60D -173.1(6) . . . . ?
C62D C61D C60D C59D 0.0 . . . . ?
C61D C60D C59D C58D 0.0 . . . . ?
C57D C58D C59D C60D 180.0 . . . . ?
C63D C58D C59D C60D 0.0 . . . . ?
C52D C51D N7E C11E -15.5(16) . . . . ?
C50D C51D N7E C11E 172.0(12) . . . . ?
C72D N8D C64D C65D 0.0 . . . . ?
C72D N8D C64D C12E 176.1(10) . . . . ?
N8D C64D C65D C66D 0.0 . . . . ?
C12E C64D C65D C66D -176.3(10) . . . . ?
C64D C65D C66D C67D 0.0 . . . . ?
C65D C66D C67D C72D 0.0 . . . . ?
C65D C66D C67D C68D 180.0 . . . . ?
C66D C67D C72D C71D 180.0 . . . . ?
C68D C67D C72D C71D 0.0 . . . . ?
C66D C67D C72D N8D 0.0 . . . . ?
C68D C67D C72D N8D 180.0 . . . . ?
C64D N8D C72D C67D 0.0 . . . . ?
C64D N8D C72D C71D 180.0 . . . . ?
C67D C72D C71D C70D 0.0 . . . . ?
N8D C72D C71D C70D 180.0 . . . . ?
C67D C72D C71D N9E 173.6(7) . . . . ?
N8D C72D C71D N9E -6.4(7) . . . . ?
C72D C71D C70D C69D 0.0 . . . . ?
N9E C71D C70D C69D -172.7(8) . . . . ?
C71D C70D C69D C68D 0.0 . . . . ?
C71D C70D C69D C27F 176.9(8) . . . . ?
C70D C69D C68D C67D 0.0 . . . . ?
C27F C69D C68D C67D -176.8(8) . . . . ?
C72D C67D C68D C69D 0.0 . . . . ?
C66D C67D C68D C69D 180.0 . . . . ?
C61D C62D N8E C12E -15(2) . . . . ?
C63D C62D N8E C12E 171.9(16) . . . . ?
C81D N9D C73D C74D 0.0 . . . . ?
C81D N9D C73D C13E 169.5(7) . . . . ?
N9D C73D C74D C75D 0.0 . . . . ?
C13E C73D C74D C75D -169.0(7) . . . . ?
C73D C74D C75D C76D 0.0 . . . . ?
C74D C75D C76D C81D 0.0 . . . . ?
C74D C75D C76D C77D 180.0 . . . . ?
C75D C76D C81D C80D 180.0 . . . . ?
C77D C76D C81D C80D 0.0 . . . . ?
C75D C76D C81D N9D 0.0 . . . . ?
C77D C76D C81D N9D 180.0 . . . . ?
C73D N9D C81D C80D 180.0 . . . . ?
C73D N9D C81D C76D 0.0 . . . . ?
C76D C81D C80D C79D 0.0 . . . . ?
N9D C81D C80D C79D 180.0 . . . . ?
C76D C81D C80D N10E 173.9(6) . . . . ?
N9D C81D C80D N10E -6.1(6) . . . . ?
C81D C80D C79D C78D 0.0 . . . . ?
N10E C80D C79D C78D -172.6(7) . . . . ?
C80D C79D C78D C77D 0.0 . . . . ?
C80D C79D C78D C35F 178.9(8) . . . . ?
C79D C78D C77D C76D 0.0 . . . . ?
C35F C78D C77D C76D -178.8(9) . . . . ?
C75D C76D C77D C78D 180.0 . . . . ?
C81D C76D C77D C78D 0.0 . . . . ?
C70D C71D N9E C13E -10.2(15) . . . . ?
C72D C71D N9E C13E 176.7(10) . . . . ?
C90D N10D C82D C83D 0.0 . . . . ?
C90D N10D C82D C14E 173.7(5) . . . . ?
N10D C82D C83D C84D 0.0 . . . . ?
C14E C82D C83D C84D -172.6(6) . . . . ?
C82D C83D C84D C85D 0.0 . . . . ?
C83D C84D C85D C90D 0.0 . . . . ?
C83D C84D C85D C86D 180.0 . . . . ?
C84D C85D C90D C89D 180.0 . . . . ?
C86D C85D C90D C89D 0.0 . . . . ?
C84D C85D C90D N10D 0.0 . . . . ?
C86D C85D C90D N10D 180.0 . . . . ?
C82D N10D C90D C89D 180.0 . . . . ?
C82D N10D C90D C85D 0.0 . . . . ?
C85D C90D C89D C88D 0.0 . . . . ?
N10D C90D C89D C88D 180.0 . . . . ?
C85D C90D C89D N11E 171.2(4) . . . . ?
N10D C90D C89D N11E -8.8(4) . . . . ?
C90D C89D C88D C87D 0.0 . . . . ?
N11E C89D C88D C87D -169.7(5) . . . . ?
C89D C88D C87D C86D 0.0 . . . . ?
C89D C88D C87D C43F 180.0 . . . . ?
C88D C87D C86D C85D 0.0 . . . . ?
C43F C87D C86D C85D 180.0 . . . . ?
C90D C85D C86D C87D 0.0 . . . . ?
C84D C85D C86D C87D 180.0 . . . . ?
C81D C80D N10E C14E 174.9(9) . . . . ?
C79D C80D N10E C14E -11.9(14) . . . . ?
C99D N11D C91D C92D 0.0 . . . . ?
C99D N11D C91D C15E 178.4(9) . . . . ?
N11D C91D C92D C93D 0.0 . . . . ?
C15E C91D C92D C93D -178.3(10) . . . . ?
C46F O12F C93D C92D -12.2(12) . . . . ?
C46F O12F C93D C94D 170.4(9) . . . . ?
C91D C92D C93D O12F -177.4(5) . . . . ?
C91D C92D C93D C94D 0.0 . . . . ?
O12F C93D C94D C99D 177.5(5) . . . . ?
C92D C93D C94D C99D 0.0 . . . . ?
O12F C93D C94D C95D -2.5(5) . . . . ?
C92D C93D C94D C95D 180.0 . . . . ?
C93D C94D C99D C98D 180.0 . . . . ?
C95D C94D C99D C98D 0.0 . . . . ?
C93D C94D C99D N11D 0.0 . . . . ?
C95D C94D C99D N11D 180.0 . . . . ?
C91D N11D C99D C98D 180.0 . . . . ?
C91D N11D C99D C94D 0.0 . . . . ?
C94D C99D C98D C97D 0.0 . . . . ?
N11D C99D C98D C97D 180.0 . . . . ?
C94D C99D C98D N12E 172.30(16) . . . . ?
N11D C99D C98D N12E -7.70(16) . . . . ?
C99D C98D C97D C96D 0.0 . . . . ?
N12E C98D C97D C96D -170.83(19) . . . . ?
C98D C97D C96D C95D 0.0 . . . . ?
C97D C96D C95D C94D 0.0 . . . . ?
C93D C94D C95D C96D 180.0 . . . . ?
C99D C94D C95D C96D 0.0 . . . . ?
C90D C89D N11E C15E -176.8(12) . . . . ?
C88D C89D N11E C15E -6.4(14) . . . . ?
C9DD N12D C1DD C2DD 0.0 . . . . ?
C9DD N12D C1DD C16E -177.7(2) . . . . ?
N12D C1DD C2DD C3DD 0.0 . . . . ?
C16E C1DD C2DD C3DD 177.1(3) . . . . ?
C1DD C2DD C3DD C4DD 0.0 . . . . ?
C1DD C2DD C3DD C50F 170.4(10) . . . . ?
C2DD C3DD C4DD C9DD 0.0 . . . . ?
C50F C3DD C4DD C9DD -169.8(10) . . . . ?
C2DD C3DD C4DD C5DD 180.0 . . . . ?
C50F C3DD C4DD C5DD 10.2(10) . . . . ?
C3DD C4DD C9DD C8DD 180.0 . . . . ?
C5DD C4DD C9DD C8DD 0.0 . . . . ?
C3DD C4DD C9DD N12D 0.0 . . . . ?
C5DD C4DD C9DD N12D 180.0 . . . . ?
C1DD N12D C9DD C8DD 180.0 . . . . ?
C1DD N12D C9DD C4DD 0.0 . . . . ?
C4DD C9DD C8DD N13E 174.7(5) . . . . ?
N12D C9DD C8DD N13E -5.3(5) . . . . ?
C4DD C9DD C8DD C7DD 0.0 . . . . ?
N12D C9DD C8DD C7DD 180.0 . . . . ?
N13E C8DD C7DD C6DD -174.8(5) . . . . ?
C9DD C8DD C7DD C6DD 0.0 . . . . ?
C8DD C7DD C6DD C5DD 0.0 . . . . ?
C7DD C6DD C5DD C4DD 0.0 . . . . ?
C3DD C4DD C5DD C6DD 180.0 . . . . ?
C9DD C4DD C5DD C6DD 0.0 . . . . ?
C99D C98D N12E C16E -173.5(2) . . . . ?
C97D C98D N12E C16E -2.0(3) . . . . ?
C9DD C8DD N13E C17E -175.7(15) . . . . ?
C7DD C8DD N13E C17E -0.9(17) . . . . ?
C3D O1F C1F C2F -175.5(12) . . . . ?
O1F C1F C2F C3F -172.5(14) . . . . ?
O1F C1F C2F C4F 63(2) . . . . ?
C2E N1E C5E O3E 45.7(11) . . . . ?
C2E N1E C5E C1D -134.3(11) . . . . ?
C2D C1D C5E O3E 0.000(8) . . . . ?
N1D C1D C5E O3E 180.000(5) . . . . ?
C2D C1D C5E N1E 180.000(5) . . . . ?
N1D C1D C5E N1E 0.000(8) . . . . ?
C8D N2E C6E O4E 0.000(5) . . . . ?
C8D N2E C6E C10D 180.000(5) . . . . ?
N2D C10D C6E O4E 166.59(18) . . . . ?
C11D C10D C6E O4E -13.1(2) . . . . ?
N2D C10D C6E N2E -13.41(18) . . . . ?
C11D C10D C6E N2E 166.9(2) . . . . ?
C17D N3E C7E O5E -6(2) . . . . ?
C17D N3E C7E C19D 177.2(7) . . . . ?
C26D N4E C8E O6E 0.3(16) . . . . ?
C26D N4E C8E C28D 175.5(9) . . . . ?
N4D C28D C8E O6E 168.7(8) . . . . ?
C29D C28D C8E O6E -21.4(14) . . . . ?
N4D C28D C8E N4E -6.3(11) . . . . ?
C29D C28D C8E N4E 163.6(7) . . . . ?
C24D C7F C8F C9F -174.6(11) . . . . ?
C35D N5E C9E O7E -7(2) . . . . ?
C35D N5E C9E C37D 173.0(9) . . . . ?
C38D C37D C9E O7E -21.3(14) . . . . ?
N5D C37D C9E O7E 166.3(9) . . . . ?
C38D C37D C9E N5E 158.6(7) . . . . ?
N5D C37D C9E N5E -13.8(12) . . . . ?
C7F C8F C9F C14F 70.2(14) . . . . ?
C7F C8F C9F C10F -109.1(12) . . . . ?
C10F C9F C14F C13F 0.0 . . . . ?
C8F C9F C14F C13F -179.3(9) . . . . ?
C9F C14F C13F C12F 0.0 . . . . ?
C14F C13F C12F C11F 0.0 . . . . ?
C13F C12F C11F C10F 0.0 . . . . ?
C12F C11F C10F C9F 0.0 . . . . ?
C14F C9F C10F C11F 0.0 . . . . ?
C8F C9F C10F C11F 179.3(9) . . . . ?
C44D N6E C10E O8E -3(2) . . . . ?
C44D N6E C10E C46D 174.5(7) . . . . ?
N6D C46D C10E O8E 167.0(12) . . . . ?
C47D C46D C10E O8E -23.1(18) . . . . ?
N6D C46D C10E N6E -10.4(11) . . . . ?
C47D C46D C10E N6E 159.6(7) . . . . ?
C51D N7E C11E O9E 8(3) . . . . ?
C51D N7E C11E C55D 175.7(11) . . . . ?
N7D C55D C11E O9E 167.9(13) . . . . ?
C56D C55D C11E O9E -22(2) . . . . ?
N7D C55D C11E N7E -3.0(18) . . . . ?
C56D C55D C11E N7E 166.8(10) . . . . ?
C62D N8E C12E O10E 6(3) . . . . ?
C62D N8E C12E C64D 174.9(8) . . . . ?
C65D C64D C12E O10E -24(3) . . . . ?
N8D C64D C12E O10E 160.0(18) . . . . ?
C65D C64D C12E N8E 168.6(11) . . . . ?
N8D C64D C12E N8E -7.6(19) . . . . ?
C71D N9E C13E O11E 4.1(19) . . . . ?
C71D N9E C13E C73D 173.8(9) . . . . ?
N9D C73D C13E O11E 160.1(8) . . . . ?
C74D C73D C13E O11E -30.7(12) . . . . ?
N9D C73D C13E N9E -10.3(12) . . . . ?
C74D C73D C13E N9E 158.9(8) . . . . ?
C80D N10E C14E O12E 1.6(18) . . . . ?
C80D N10E C14E C82D -179.5(8) . . . . ?
N10D C82D C14E O12E 169.6(8) . . . . ?
C83D C82D C14E O12E -17.3(12) . . . . ?
N10D C82D C14E N10E -9.4(11) . . . . ?
C83D C82D C14E N10E 163.7(7) . . . . ?
C89D N11E C15E O13E -6(3) . . . . ?
C89D N11E C15E C91D 174.8(8) . . . . ?
C92D C91D C15E O13E -18(3) . . . . ?
N11D C91D C15E O13E 164(2) . . . . ?
C92D C91D C15E N11E 161.9(8) . . . . ?
N11D C91D C15E N11E -16.5(16) . . . . ?
C98D N12E C16E O14E -10.4(9) . . . . ?
C98D N12E C16E C1DD 180.000(3) . . . . ?
N12D C1DD C16E O14E 161.6(6) . . . . ?
C2DD C1DD C16E O14E -15.7(7) . . . . ?
N12D C1DD C16E N12E -26.9(3) . . . . ?
C2DD C1DD C16E N12E 155.8(3) . . . . ?
C8DD N13E C17E O15E -7(4) . . . . ?
C8DD N13E C17E C18E -176.5(11) . . . . ?
C43D C42D C17F C18F 81(2) . . . . ?
C41D C42D C17F C18F -97(2) . . . . ?
C19E O16E C18E C17E -97.6(17) . . . . ?
O15E C17E C18E O16E 179.2(14) . . . . ?
N13E C17E C18E O16E -7(2) . . . . ?
C18E O16E C19E C20E 169.1(12) . . . . ?
C21E O17E C20E C19E -176.9(12) . . . . ?
O16E C19E C20E O17E -177.3(11) . . . . ?
C48D O8F C20F C21F 176.5(11) . . . . ?
C20E O17E C21E C22E -167.0(11) . . . . ?
O8F C20F C21F C23F 69.2(16) . . . . ?
O8F C20F C21F C22F -169.8(13) . . . . ?
C23E O18E C22E C21E -178.9(12) . . . . ?
O17E C21E C22E O18E 58.8(16) . . . . ?
C8E N4E C26D C25D -10.7(12) . . . . ?
C8E N4E C26D C27D 175.8(8) . . . . ?
N4E C26D C25D C24D -173.2(7) . . . . ?
C27D C26D C25D C24D 0.0 . . . . ?
C26D C25D C24D C23D 0.0 . . . . ?
C26D C25D C24D C7F 177.9(7) . . . . ?
C8F C7F C24D C23D 66.0(12) . . . . ?
C8F C7F C24D C25D -111.8(10) . . . . ?
C25D C24D C23D C22D 0.0 . . . . ?
C7F C24D C23D C22D -177.7(8) . . . . ?
C24D C23D C22D C27D 0.0 . . . . ?
C24D C23D C22D C21D 180.0 . . . . ?
C23D C22D C27D N3D 180.0 . . . . ?
C21D C22D C27D N3D 0.0 . . . . ?
C23D C22D C27D C26D 0.0 . . . . ?
C21D C22D C27D C26D 180.0 . . . . ?
N4E C26D C27D C22D 174.0(6) . . . . ?
C25D C26D C27D C22D 0.0 . . . . ?
N4E C26D C27D N3D -6.0(6) . . . . ?
C25D C26D C27D N3D 180.0 . . . . ?
C22D C27D N3D C19D 0.0 . . . . ?
C26D C27D N3D C19D 180.0 . . . . ?
C27D N3D C19D C20D 0.0 . . . . ?
C27D N3D C19D C7E 172.6(6) . . . . ?
O5E C7E C19D C20D -18.0(13) . . . . ?
N3E C7E C19D C20D 159.4(9) . . . . ?
O5E C7E C19D N3D 170.0(7) . . . . ?
N3E C7E C19D N3D -12.6(14) . . . . ?
N3D C19D C20D C21D 0.0 . . . . ?
C7E C19D C20D C21D -171.5(7) . . . . ?
C19D C20D C21D C22D 0.0 . . . . ?
C27D C22D C21D C20D 0.0 . . . . ?
C23D C22D C21D C20D 180.0 . . . . ?
C68D C69D C27F C28F -100.5(12) . . . . ?
C70D C69D C27F C28F 82.7(12) . . . . ?
C69D C27F C28F C29F 175.8(14) . . . . ?
C27F C28F C29F C34F -93.6(15) . . . . ?
C27F C28F C29F C30F 84.8(15) . . . . ?
C30F C29F C34F C33F 0.0 . . . . ?
C28F C29F C34F C33F 178.3(13) . . . . ?
C29F C34F C33F C32F 0.0 . . . . ?
C34F C33F C32F C31F 0.0 . . . . ?
C33F C32F C31F C30F 0.0 . . . . ?
C32F C31F C30F C29F 0.0 . . . . ?
C34F C29F C30F C31F 0.0 . . . . ?
C28F C29F C30F C31F -178.4(12) . . . . ?
C79D C78D C35F C36F -110.6(14) . . . . ?
C77D C78D C35F C36F 68.3(17) . . . . ?
C78D C35F C36F C37F -61(2) . . . . ?
C40F C39F C38F C37F 0.0 . . . . ?
C39F C38F C37F C42F 0.0 . . . . ?
C39F C38F C37F C36F -170.7(11) . . . . ?
C35F C36F C37F C42F -71.6(16) . . . . ?
C35F C36F C37F C38F 98.5(14) . . . . ?
C38F C37F C42F C41F 0.0 . . . . ?
C36F C37F C42F C41F 169.6(12) . . . . ?
C37F C42F C41F C40F 0.0 . . . . ?
C42F C41F C40F C39F 0.0 . . . . ?
C42F C41F C40F O10F 177.6(11) . . . . ?
C38F C39F C40F C41F 0.0 . . . . ?
C38F C39F C40F O10F -177.5(11) . . . . ?
C93D O12F C46F C47F 173.2(9) . . . . ?
O12F C46F C47F C49F 46.6(18) . . . . ?
O12F C46F C47F C48F 173.2(12) . . . . ?
C2DD C3DD C50F N3F -103.1(16) . . . . ?
C4DD C3DD C50F N3F 67.0(19) . . . . ?

_refine_diff_density_max         0.940
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.138




_exptl_crystal_recrystallization_method 'hanging drop  vapor diffusion'
