# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_2bpy
_database_code_depnum_ccdc_archive 'CCDC 1946648'
loop_
_audit_author_name
_audit_author_address
'fullerene pyridine'
;University of Science and Technology of China
China
;
_audit_update_record             
;
2019-08-12 deposited with the CCDC.	2020-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        C60-2-Py
_chemical_name_common            C60-2-Py
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            ' C192H94.70N21'
_chemical_formula_weight         2695.58

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   14.316
_cell_length_b                   32.479
_cell_length_c                   28.389
_cell_angle_alpha                90
_cell_angle_beta                 93.72
_cell_angle_gamma                90
_cell_volume                     13172.2
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    84978
_cell_measurement_theta_min      2.89
_cell_measurement_theta_max      51.17

_exptl_crystal_description       Block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_F_000             5574.8
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    0.081
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline BL17B'
_diffrn_measurement_device_type  'CCD MX300-HE'
_diffrn_measurement_method       phi_scans
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24647
_diffrn_reflns_av_unetI/netI     0.0414
_diffrn_reflns_av_R_equivalents  0.135
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         1.445
_diffrn_reflns_theta_max         25.585
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             24647
_reflns_number_gt                21542
_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.
 
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.1576P)²+24.6398P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         24647
_refine_ls_number_parameters     2460
_refine_ls_number_restraints     1554
_refine_ls_R_factor_all          0.1042
_refine_ls_R_factor_gt           0.0967
_refine_ls_wR_factor_ref         0.2804
_refine_ls_wR_factor_gt          0.2730
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N004 N 0.20634(18) 0.04743(8) 0.76693(10) 0.0329(6) Uani 1 1 d . . . A 1
N005 N 0.36752(18) 0.48163(8) 0.62772(9) 0.0306(5) Uani 1 1 d . . . B 1
N006 N 0.21131(18) 0.45273(8) 0.79803(9) 0.0306(5) Uani 1 1 d . . . B 1
N007 N 0.23038(18) 0.47556(8) 0.70626(9) 0.0299(5) Uani 1 1 d . . . B 1
N008 N 0.30983(18) 0.40629(8) 0.88152(9) 0.0302(5) Uani 1 1 d . . . B 1
N009 N 0.27774(19) 0.02991(8) 0.67241(9) 0.0320(5) Uani 1 1 d . . . A 1
N00A N 0.81427(18) 0.38014(8) 0.71697(9) 0.0310(5) Uani 1 1 d . . . B 1
N00B N 0.47367(18) 0.37013(8) 0.91434(9) 0.0311(5) Uani 1 1 d . . . B 1
N00C N 0.54337(18) 0.46050(8) 0.60516(9) 0.0306(5) Uani 1 1 d . . . B 1
N00D N 0.72597(18) 0.41860(8) 0.64040(9) 0.0316(5) Uani 1 1 d . . . B 1
N00E N 0.79712(18) 0.35440(8) 0.81957(9) 0.0311(5) Uani 1 1 d . . . B 1
N00F N 0.81965(19) 0.14917(8) 0.77000(10) 0.0353(6) Uani 1 1 d . . . A 1
N00G N 0.43323(19) 0.03582(8) 0.61925(9) 0.0314(5) Uani 1 1 d . . . A 1
N00H N 0.6325(2) 0.06857(8) 0.61944(9) 0.0343(6) Uani 1 1 d . . . A 1
N00I N 0.58329(19) 0.15624(8) 0.91608(9) 0.0330(6) Uani 1 1 d . . . A 1
N00J N 0.67738(18) 0.35397(8) 0.89162(9) 0.0309(5) Uani 1 1 d . . . B 1
N00K N 0.24710(19) 0.08567(8) 0.85378(9) 0.0333(6) Uani 1 1 d . . . A 1
N00L N 0.76982(19) 0.11094(8) 0.67384(10) 0.0336(6) Uani 1 1 d . . . A 1
N00M N 0.75078(19) 0.16494(8) 0.85744(10) 0.0339(6) Uani 1 1 d . . . A 1
N00N N 0.4004(2) 0.12724(8) 0.91410(9) 0.0350(6) Uani 1 1 d . . . A 1
C00O C 0.5497(2) 0.42252(9) 0.80794(11) 0.0282(6) Uani 1 1 d . . . B 1
C00P C 0.6120(2) 0.42408(9) 0.77183(10) 0.0279(6) Uani 1 1 d . . . B 1
C00Q C 0.4016(2) 0.46354(9) 0.71281(10) 0.0278(6) Uani 1 1 d . . . B 1
C00R C 0.4302(2) 0.46709(9) 0.66457(10) 0.0285(6) Uani 1 1 d . . . B 1
C00S C 0.4652(2) 0.44118(9) 0.79170(10) 0.0274(6) Uani 1 1 d . . . B 1
C00T C 0.4751(2) 0.45459(8) 0.74463(10) 0.0272(6) Uani 1 1 d . . . B 1
C00V C 0.6900(2) 0.39993(9) 0.76966(11) 0.0291(6) Uani 1 1 d . . . B 1
C00X C 0.5660(2) 0.44369(9) 0.73257(10) 0.0281(6) Uani 1 1 d . . . B 1
C00Z C 0.5597(2) 0.39642(9) 0.84633(10) 0.0282(6) Uani 1 1 d . . . B 1
C010 C 0.1271(2) 0.07167(10) 0.76887(12) 0.0358(7) Uani 1 1 d . . . A 1
H010 H 0.1262 0.1001 0.7731 0.043 Uiso 1 1 calc R U . A 1
C011 C 0.7285(2) 0.40033(9) 0.72312(11) 0.0292(6) Uani 1 1 d . . . B 1
C012 C 0.6498(2) 0.37521(9) 0.84966(11) 0.0292(6) Uani 1 1 d . . . B 1
C013 C 0.4988(2) 0.44341(10) 0.56492(11) 0.0330(6) Uani 1 1 d . . . B 1
H013 H 0.4489 0.4250 0.5640 0.040 Uiso 1 1 calc R U . B 1
C014 C 0.3893(2) 0.41170(9) 0.85489(10) 0.0289(6) Uani 1 1 d . . . B 1
C015 C 0.6143(2) 0.48636(10) 0.59189(11) 0.0335(7) Uani 1 1 d . . . B 1
H015 H 0.6546 0.5016 0.6121 0.040 Uiso 1 1 calc R U . B 1
C016 C 0.5209(2) 0.45614(9) 0.65250(11) 0.0294(6) Uani 1 1 d . . . B 1
C017 C 0.7120(2) 0.37639(9) 0.81281(11) 0.0292(6) Uani 1 1 d . . . B 1
C018 C 0.4748(2) 0.39331(9) 0.87193(10) 0.0277(6) Uani 1 1 d . . . B 1
C019 C 0.6963(2) 0.39684(10) 0.60020(11) 0.0346(7) Uani 1 1 d . . . B 1
H019 H 0.6414 0.3817 0.5958 0.041 Uiso 1 1 calc R U . B 1
C01A C 0.3115(2) 0.46334(9) 0.73389(11) 0.0282(6) Uani 1 1 d . . . B 1
C01B C 0.3016(2) 0.45016(9) 0.78075(10) 0.0284(6) Uani 1 1 d . . . B 1
C01C C 0.6817(2) 0.41981(9) 0.68392(11) 0.0292(6) Uani 1 1 d . . . B 1
C01D C 0.4853(2) 0.32813(10) 0.91843(12) 0.0357(7) Uani 1 1 d . . . B 1
H01D H 0.5016 0.3103 0.8946 0.043 Uiso 1 1 calc R U . B 1
C01E C 0.1783(2) 0.00706(10) 0.76056(11) 0.0333(6) Uani 1 1 d . . . A 1
H01E H 0.2177 -0.0155 0.7579 0.040 Uiso 1 1 calc R U . A 1
C01F C 0.1526(2) 0.42090(11) 0.80954(11) 0.0353(7) Uani 1 1 d . . . B 1
H01F H 0.1652 0.3929 0.8074 0.042 Uiso 1 1 calc R U . B 1
C01G C 0.3674(2) 0.05280(10) 0.58688(12) 0.0359(7) Uani 1 1 d . . . A 1
H01G H 0.3283 0.0750 0.5922 0.043 Uiso 1 1 calc R U . A 1
C01H C 0.4604(2) 0.05986(10) 0.76416(13) 0.0388(7) Uani 1 1 d . . . A 1
C01I C 0.8988(2) 0.39157(10) 0.74007(12) 0.0359(7) Uani 1 1 d . . . B 1
H01I H 0.9072 0.4118 0.7632 0.043 Uiso 1 1 calc R U . B 1
C01J C 0.8320(2) 0.18174(10) 0.73920(12) 0.0374(7) Uani 1 1 d . . . A 1
H01J H 0.7863 0.1930 0.7182 0.045 Uiso 1 1 calc R U . A 1
C01K C 0.5417(2) 0.45853(10) 0.52694(11) 0.0365(7) Uani 1 1 d . . . B 1
H01K H 0.5260 0.4523 0.4955 0.044 Uiso 1 1 calc R U . B 1
C01L C 0.7071(2) 0.04758(10) 0.60258(12) 0.0368(7) Uani 1 1 d . . . A 1
H01L H 0.7522 0.0328 0.6205 0.044 Uiso 1 1 calc R U . A 1
C01M C 0.6077(2) 0.08427(10) 0.76441(13) 0.0387(7) Uani 1 1 d . . . A 1
C01N C 0.3780(2) 0.51836(10) 0.60395(11) 0.0346(7) Uani 1 1 d . . . B 1
H01N H 0.4240 0.5381 0.6110 0.042 Uiso 1 1 calc R U . B 1
C01O C 0.2005(2) 0.05470(10) 0.66242(12) 0.0359(7) Uani 1 1 d . . . A 1
H01O H 0.1934 0.0816 0.6727 0.043 Uiso 1 1 calc R U . A 1
C01P C 0.1508(2) 0.45213(10) 0.69633(12) 0.0354(7) Uani 1 1 d . . . B 1
H01P H 0.1420 0.4250 0.7057 0.043 Uiso 1 1 calc R U . B 1
C01Q C 0.2158(2) 0.51434(10) 0.68657(11) 0.0332(6) Uani 1 1 d . . . B 1
H01Q H 0.2582 0.5360 0.6882 0.040 Uiso 1 1 calc R U . B 1
C01R C 0.8198(2) 0.31829(10) 0.79723(12) 0.0349(7) Uani 1 1 d . . . B 1
H01R H 0.7836 0.3050 0.7735 0.042 Uiso 1 1 calc R U . B 1
C01S C 0.2068(2) 0.12347(11) 0.86266(12) 0.0379(7) Uani 1 1 d . . . A 1
H01S H 0.2297 0.1491 0.8544 0.045 Uiso 1 1 calc R U . A 1
C01T C 0.6845(2) 0.37278(10) 0.93557(11) 0.0358(7) Uani 1 1 d . . . B 1
H01T H 0.6683 0.3998 0.9419 0.043 Uiso 1 1 calc R U . B 1
C01U C 0.3641(2) 0.04200(10) 0.69621(12) 0.0372(7) Uani 1 1 d . . . A 1
C01V C 0.5955(2) 0.19832(10) 0.91708(12) 0.0365(7) Uani 1 1 d . . . A 1
H01V H 0.5932 0.2157 0.8910 0.044 Uiso 1 1 calc R U . A 1
C01W C 0.5381(3) 0.06369(10) 0.73704(11) 0.0387(7) Uani 1 1 d . . . A 1
C01X C 0.1665(2) 0.48942(10) 0.80530(11) 0.0343(7) Uani 1 1 d . . . B 1
H01X H 0.1901 0.5155 0.7995 0.041 Uiso 1 1 calc R U . B 1
C01Y C 0.2922(2) 0.46044(10) 0.60605(12) 0.0355(7) Uani 1 1 d . . . B 1
H01Y H 0.2705 0.4347 0.6148 0.043 Uiso 1 1 calc R U . B 1
C01Z C 0.8308(2) 0.34953(10) 0.68475(12) 0.0362(7) Uani 1 1 d . . . B 1
H01Z H 0.7861 0.3368 0.6644 0.043 Uiso 1 1 calc R U . B 1
C020 C 0.8680(2) 0.36362(10) 0.85331(12) 0.0361(7) Uani 1 1 d . . . B 1
H020 H 0.8690 0.3860 0.8737 0.043 Uiso 1 1 calc R U . B 1
C021 C 0.0729(2) 0.43812(12) 0.82468(12) 0.0413(8) Uani 1 1 d . . . B 1
H021 H 0.0216 0.4238 0.8348 0.050 Uiso 1 1 calc R U . B 1
C022 C 0.5830(2) 0.08736(10) 0.58195(12) 0.0376(7) Uani 1 1 d . . . A 1
H022 H 0.5300 0.1037 0.5839 0.045 Uiso 1 1 calc R U . A 1
C023 C 0.5734(3) 0.09300(10) 0.80795(12) 0.0392(7) Uani 1 1 d . . . A 1
C024 C 0.4826(3) 0.07805(10) 0.80801(12) 0.0388(7) Uani 1 1 d . . . A 1
C025 C 0.6140(3) 0.48532(10) 0.54376(12) 0.0392(7) Uani 1 1 d . . . B 1
H025 H 0.6543 0.4997 0.5253 0.047 Uiso 1 1 calc R U . B 1
C026 C 0.2624(2) -0.00744(10) 0.64997(11) 0.0349(7) Uani 1 1 d . . . A 1
H026 H 0.3040 -0.0294 0.6502 0.042 Uiso 1 1 calc R U . A 1
C027 C 0.2690(2) 0.36911(10) 0.89258(12) 0.0358(7) Uani 1 1 d . . . B 1
H027 H 0.2854 0.3433 0.8816 0.043 Uiso 1 1 calc R U . B 1
C028 C 0.7091(2) 0.31381(10) 0.89660(12) 0.0362(7) Uani 1 1 d . . . B 1
H028 H 0.7123 0.2946 0.8724 0.043 Uiso 1 1 calc R U . B 1
C029 C 0.2679(2) 0.43743(10) 0.90533(11) 0.0352(7) Uani 1 1 d . . . B 1
H029 H 0.2830 0.4653 0.9044 0.042 Uiso 1 1 calc R U . B 1
C02A C 0.4482(2) 0.38563(11) 0.95698(11) 0.0359(7) Uani 1 1 d . . . B 1
H02A H 0.4354 0.4131 0.9634 0.043 Uiso 1 1 calc R U . B 1
C02B C 0.0514(2) 0.04687(11) 0.76365(12) 0.0396(7) Uani 1 1 d . . . A 1
H02B H -0.0108 0.0552 0.7633 0.047 Uiso 1 1 calc R U . A 1
C02C C 0.9038(2) 0.14202(11) 0.79533(13) 0.0406(7) Uani 1 1 d . . . A 1
H02C H 0.9146 0.1221 0.8186 0.049 Uiso 1 1 calc R U . A 1
C02D C 0.7630(3) 0.40179(12) 0.56796(12) 0.0429(8) Uani 1 1 d . . . B 1
H02D H 0.7609 0.3909 0.5376 0.052 Uiso 1 1 calc R U . B 1
C02E C 0.4763(2) 0.00316(10) 0.59788(12) 0.0370(7) Uani 1 1 d . . . A 1
H02E H 0.5230 -0.0136 0.6119 0.044 Uiso 1 1 calc R U . A 1
C02F C 0.1287(2) 0.51509(11) 0.66444(12) 0.0396(7) Uani 1 1 d . . . B 1
H02F H 0.1010 0.5373 0.6483 0.048 Uiso 1 1 calc R U . B 1
C02G C 0.3699(2) 0.05165(10) 0.74583(12) 0.0378(7) Uani 1 1 d . . . A 1
C02H C 0.0835(2) 0.00578(11) 0.75880(12) 0.0393(7) Uani 1 1 d . . . A 1
H02H H 0.0463 -0.0176 0.7551 0.047 Uiso 1 1 calc R U . A 1
C02I C 0.0874(2) 0.47574(12) 0.67039(13) 0.0429(8) Uani 1 1 d . . . B 1
H02I H 0.0281 0.4676 0.6587 0.051 Uiso 1 1 calc R U . B 1
C02J C 0.5906(2) 0.14175(11) 0.96217(12) 0.0386(7) Uani 1 1 d . . . A 1
H02J H 0.5846 0.1145 0.9716 0.046 Uiso 1 1 calc R U . A 1
C02K C 0.3224(2) 0.07848(10) 0.82480(12) 0.0369(7) Uani 1 1 d . . . A 1
C02L C 0.7913(3) 0.15317(11) 0.90031(12) 0.0404(7) Uani 1 1 d . . . A 1
H02L H 0.7845 0.1277 0.9146 0.049 Uiso 1 1 calc R U . A 1
C02M C 0.5349(2) 0.05938(10) 0.68846(12) 0.0372(7) Uani 1 1 d . . . A 1
C02N C 0.7789(2) 0.20511(10) 0.84786(12) 0.0359(7) Uani 1 1 d . . . A 1
H02N H 0.7622 0.2203 0.8208 0.043 Uiso 1 1 calc R U . A 1
C02O C 0.5513(3) 0.13153(10) 0.87697(12) 0.0392(7) Uani 1 1 d . . . A 1
C02P C 0.3089(3) 0.52069(11) 0.56827(12) 0.0410(8) Uani 1 1 d . . . B 1
H02P H 0.2990 0.5424 0.5471 0.049 Uiso 1 1 calc R U . B 1
C02Q C 0.4688(3) 0.31719(11) 0.96377(12) 0.0416(8) Uani 1 1 d . . . B 1
H02Q H 0.4724 0.2908 0.9765 0.050 Uiso 1 1 calc R U . B 1
C02R C 0.4448(3) 0.04554(10) 0.66818(12) 0.0372(7) Uani 1 1 d . . . A 1
C02S C 0.6840(2) 0.10382(10) 0.74621(12) 0.0386(7) Uani 1 1 d . . . A 1
C02T C 0.6915(2) 0.09633(10) 0.69686(13) 0.0392(8) Uani 1 1 d . . . A 1
C02U C 0.9223(3) 0.19423(11) 0.74516(14) 0.0451(8) Uani 1 1 d . . . A 1
H02U H 0.9497 0.2155 0.7290 0.054 Uiso 1 1 calc R U . A 1
C02V C 0.3005(2) 0.05942(10) 0.77941(13) 0.0378(7) Uani 1 1 d . . . A 1
C02W C 0.1367(3) 0.03295(12) 0.63490(14) 0.0456(8) Uani 1 1 d . . . A 1
H02W H 0.0782 0.0422 0.6232 0.055 Uiso 1 1 calc R U . A 1
C02X C 0.7339(2) 0.13037(10) 0.78010(14) 0.0399(7) Uani 1 1 d . . . A 1
C02Y C 0.3702(3) 0.03115(12) 0.54570(12) 0.0420(8) Uani 1 1 d . . . A 1
H02Y H 0.3337 0.0361 0.5180 0.050 Uiso 1 1 calc R U . A 1
C02Z C 0.3799(3) 0.16648(11) 0.92812(13) 0.0422(8) Uani 1 1 d . . . A 1
H02Z H 0.3962 0.1908 0.9134 0.051 Uiso 1 1 calc R U . A 1
C030 C 0.6116(3) 0.21004(11) 0.96300(13) 0.0433(8) Uani 1 1 d . . . A 1
H030 H 0.6227 0.2368 0.9737 0.052 Uiso 1 1 calc R U . A 1
C031 C 0.1996(2) 0.41999(12) 0.93076(12) 0.0419(8) Uani 1 1 d . . . B 1
H031 H 0.1599 0.4339 0.9500 0.050 Uiso 1 1 calc R U . B 1
C032 C 0.8126(2) 0.43613(11) 0.63367(12) 0.0371(7) Uani 1 1 d . . . B 1
H032 H 0.8485 0.4517 0.6555 0.044 Uiso 1 1 calc R U . B 1
C033 C 0.8353(3) 0.21784(11) 0.88551(14) 0.0444(8) Uani 1 1 d . . . A 1
H033 H 0.8636 0.2435 0.8889 0.053 Uiso 1 1 calc R U . A 1
C034 C 0.6183(3) 0.07421(10) 0.66802(12) 0.0382(7) Uani 1 1 d . . . A 1
C035 C 0.7027(3) 0.05256(11) 0.55456(13) 0.0435(8) Uani 1 1 d . . . A 1
H035 H 0.7437 0.0413 0.5339 0.052 Uiso 1 1 calc R U . A 1
C036 C 0.7657(3) 0.13509(11) 0.63318(13) 0.0431(8) Uani 1 1 d . . . A 1
H036 H 0.7123 0.1468 0.6182 0.052 Uiso 1 1 calc R U . A 1
C037 C 0.1910(2) 0.05540(11) 0.87086(12) 0.0373(7) Uani 1 1 d . . . A 1
H037 H 0.2014 0.0272 0.8689 0.045 Uiso 1 1 calc R U . A 1
C038 C 0.2007(3) 0.37720(12) 0.92237(13) 0.0428(8) Uani 1 1 d . . . B 1
H038 H 0.1614 0.3579 0.9350 0.051 Uiso 1 1 calc R U . B 1
C039 C 0.4170(3) 0.09040(10) 0.83893(12) 0.0382(7) Uani 1 1 d . . . A 1
C03A C 0.4569(3) 0.11641(10) 0.87681(12) 0.0397(8) Uani 1 1 d . . . A 1
C03B C 0.9672(2) 0.36786(11) 0.72281(13) 0.0418(8) Uani 1 1 d . . . B 1
H03B H 1.0307 0.3689 0.7321 0.050 Uiso 1 1 calc R U . B 1
C03C C 0.0817(2) 0.48120(12) 0.82236(12) 0.0416(8) Uani 1 1 d . . . B 1
H03C H 0.0378 0.5005 0.8309 0.050 Uiso 1 1 calc R U . B 1
C03D C 0.4382(3) -0.00007(11) 0.55269(12) 0.0454(8) Uani 1 1 d . . . A 1
H03D H 0.4543 -0.0194 0.5305 0.055 Uiso 1 1 calc R U . A 1
C03E C 0.7347(3) 0.30727(12) 0.94309(13) 0.0435(8) Uani 1 1 d . . . B 1
C03F C 0.1279(3) 0.11641(13) 0.88567(14) 0.0490(9) Uani 1 1 d . . . A 1
H03F H 0.0874 0.1364 0.8960 0.059 Uiso 1 1 calc R U . A 1
C03G C 0.9360(3) 0.33450(12) 0.85179(13) 0.0446(8) Uani 1 1 d . . . B 1
H03G H 0.9920 0.3336 0.8704 0.054 Uiso 1 1 calc R U . B 1
C03H C 0.8352(3) 0.42633(12) 0.58913(13) 0.0455(8) Uani 1 1 d . . . B 1
H03H H 0.8892 0.4345 0.5751 0.055 Uiso 1 1 calc R U . B 1
C03I C 0.3648(3) 0.09937(12) 0.94533(12) 0.0403(7) Uani 1 1 d . . . A 1
H03I H 0.3689 0.0708 0.9436 0.048 Uiso 1 1 calc R U . A 1
C03J C 0.8613(2) 0.09909(11) 0.68462(14) 0.0418(8) Uani 1 1 d . . . A 1
H03J H 0.8826 0.0826 0.7099 0.050 Uiso 1 1 calc R U . A 1
C03K C 0.7196(3) 0.34465(12) 0.96789(12) 0.0438(8) Uani 1 1 d . . . B 1
H03K H 0.7315 0.3491 1.0001 0.053 Uiso 1 1 calc R U . B 1
C03L C 0.9054(3) 0.30558(11) 0.81638(14) 0.0428(8) Uani 1 1 d . . . B 1
H03L H 0.9377 0.2822 0.8078 0.051 Uiso 1 1 calc R U . B 1
C03M C 0.2557(3) 0.48432(12) 0.56944(12) 0.0420(8) Uani 1 1 d . . . B 1
H03M H 0.2046 0.4776 0.5490 0.050 Uiso 1 1 calc R U . B 1
C03N C 0.6082(3) 0.17471(13) 0.99117(13) 0.0478(9) Uani 1 1 d . . . A 1
H03N H 0.6165 0.1739 1.0239 0.057 Uiso 1 1 calc R U . A 1
C03O C 0.9244(3) 0.34133(12) 0.68825(13) 0.0454(8) Uani 1 1 d . . . B 1
H03O H 0.9548 0.3217 0.6709 0.055 Uiso 1 1 calc R U . B 1
C03P C 0.6248(3) 0.07786(11) 0.54202(12) 0.0438(8) Uani 1 1 d . . . A 1
H03P H 0.6056 0.0865 0.5117 0.053 Uiso 1 1 calc R U . A 1
C03Q C 0.8435(3) 0.18522(13) 0.91846(14) 0.0501(9) Uani 1 1 d . . . A 1
H03Q H 0.8782 0.1856 0.9473 0.060 Uiso 1 1 calc R U . A 1
C03R C 0.6984(3) 0.13913(10) 0.82587(13) 0.0393(7) Uani 1 1 d . . . A 1
C03S C 0.6118(3) 0.12198(11) 0.83992(13) 0.0403(7) Uani 1 1 d . . . A 1
C03T C 0.9677(3) 0.16897(12) 0.78055(15) 0.0470(9) Uani 1 1 d . . . A 1
H03T H 1.0302 0.1707 0.7916 0.056 Uiso 1 1 calc R U . A 1
C03U C 0.4452(3) 0.35395(12) 0.98773(12) 0.0429(8) Uani 1 1 d . . . B 1
H03U H 0.4303 0.3558 1.0191 0.052 Uiso 1 1 calc R U . B 1
C03V C 0.0919(3) 0.17844(14) 0.55575(15) 0.0541(10) Uani 1 1 d . U . . .
C03W C 0.1755(3) -0.00643(12) 0.62738(13) 0.0447(8) Uani 1 1 d . . . A 1
H03W H 0.1468 -0.0278 0.6101 0.054 Uiso 1 1 calc R U . A 1
C03X C 0.1183(3) 0.07338(13) 0.89103(14) 0.0478(9) Uani 1 1 d . . . A 1
H03X H 0.0707 0.0599 0.9057 0.057 Uiso 1 1 calc R U . A 1
C03Y C 0.3228(3) 0.12117(14) 0.97875(13) 0.0515(9) Uani 1 1 d . . . A 1
H03Y H 0.2939 0.1103 1.0044 0.062 Uiso 1 1 calc R U . A 1
C03Z C 0.3308(3) 0.16314(14) 0.96783(13) 0.0523(10) Uani 1 1 d . . . A 1
H03Z H 0.3070 0.1849 0.9846 0.063 Uiso 1 1 calc R U . A 1
C040 C 0.9146(3) 0.11585(13) 0.65149(17) 0.0564(11) Uani 1 1 d . . . A 1
H040 H 0.9791 0.1130 0.6502 0.068 Uiso 1 1 calc R U . A 1
C042 C 0.8551(3) 0.13828(14) 0.61950(17) 0.0614(12) Uani 1 1 d . . . A 1
H042 H 0.8736 0.1528 0.5935 0.074 Uiso 1 1 calc R U . A 1
C54A C 0.5023(9) 0.3403(4) 0.7379(5) 0.056(2) Uani 0.696(4) 1 d . U P C 2
C59A C 0.5492(10) 0.2781(3) 0.7798(7) 0.061(2) Uani 0.696(4) 1 d . U P C 2
C5A C 0.3299(7) 0.2662(3) 0.5677(7) 0.076(3) Uani 0.696(4) 1 d D U P C 2
C52A C 0.6075(6) 0.2899(3) 0.7031(4) 0.058(2) Uani 0.696(4) 1 d . U P C 2
C57A C 0.4144(7) 0.2442(3) 0.8147(4) 0.086(3) Uani 0.696(4) 1 d D U P C 2
C1A C 0.1776(6) 0.2330(3) 0.5937(4) 0.052(2) Uani 0.696(4) 1 d . U P C 2
C10A C 0.1397(6) 0.2211(2) 0.6794(3) 0.054(2) Uani 0.696(4) 1 d D U P C 2
C34A C 0.5952(7) 0.2269(3) 0.6535(5) 0.067(3) Uani 0.696(4) 1 d . U P C 2
C50A C 0.5922(9) 0.2205(3) 0.7401(4) 0.064(3) Uani 0.696(4) 1 d . U P C 2
C04G C 0.4069(6) 0.3151(4) 0.7949(3) 0.059(2) Uani 0.696(4) 1 d . U P C 2
C04H C -0.0940(5) 0.3036(2) 0.5599(3) 0.0942(19) Uani 1 1 d D U . C 2
H04H H -0.0925 0.3322 0.5591 0.113 Uiso 1 1 calc R U . C 2
C42A C 0.2605(10) 0.3361(5) 0.7504(5) 0.073(3) Uani 0.696(4) 1 d . U P C 2
C36A C 0.5542(7) 0.2964(3) 0.6263(4) 0.068(3) Uani 0.696(4) 1 d . U P C 2
C27A C 0.2017(8) 0.2123(4) 0.7586(3) 0.065(3) Uani 0.696(4) 1 d D U P C 2
C53A C 0.5553(5) 0.3289(2) 0.6994(3) 0.0530(15) Uani 0.696(4) 1 d . U P C 2
C15A C 0.4846(9) 0.1739(3) 0.6346(5) 0.074(3) Uani 0.696(4) 1 d . U P C 2
C25A C 0.1499(10) 0.2828(3) 0.7302(4) 0.080(3) Uani 0.696(4) 1 d D U P C 2
C39A C 0.3788(5) 0.36400(18) 0.6778(3) 0.0618(19) Uani 0.696(4) 1 d D U P C 2
C3A C 0.3391(5) 0.1950(4) 0.5873(4) 0.070(3) Uani 0.696(4) 1 d . U P C 2
C48A C 0.4685(7) 0.1737(2) 0.7608(4) 0.070(2) Uani 0.696(4) 1 d . U P C 2
C C 0.1014(4) 0.22269(18) 0.5527(2) 0.0824(17) Uani 1 1 d . U . C 2
H H 0.1213 0.2313 0.5218 0.099 Uiso 0.696(4) 1 calc R U P C 2
C17A C 0.4777(6) 0.2373(3) 0.5846(4) 0.074(3) Uani 0.696(4) 1 d D U P C 2
C11A C 0.1917(4) 0.18163(17) 0.6817(2) 0.0522(14) Uani 0.696(4) 1 d D U P C 2
C30A C 0.3715(7) 0.1478(2) 0.7035(3) 0.056(2) Uani 0.696(4) 1 d . U P C 2
C21A C 0.2754(6) 0.3379(2) 0.6210(3) 0.070(2) Uani 0.696(4) 1 d D U P C 2
C45A C 0.2591(5) 0.2283(2) 0.7930(2) 0.0686(19) Uani 0.696(4) 1 d D U P C 2
C47A C 0.3805(8) 0.1788(3) 0.7790(3) 0.071(2) Uani 0.696(4) 1 d . U P C 2
C14A C 0.3946(6) 0.1676(2) 0.6209(3) 0.0642(19) Uani 0.696(4) 1 d . U P C 2
C9A C 0.1412(4) 0.24520(18) 0.6405(2) 0.0513(14) Uani 0.696(4) 1 d D U P C 2
C23A C 0.2248(5) 0.3419(2) 0.7008(3) 0.0617(17) Uani 0.696(4) 1 d . U P C 2
C55A C 0.4999(4) 0.31434(18) 0.7787(2) 0.0505(14) Uani 0.696(4) 1 d . U P C 2
C58A C 0.5053(7) 0.2415(2) 0.7988(3) 0.071(2) Uani 0.696(4) 1 d . U P C 2
C40A C 0.4131(5) 0.35899(18) 0.7257(3) 0.0586(16) Uani 0.696(4) 1 d . U P C 2
C51A C 0.6036(4) 0.2658(2) 0.7416(2) 0.0553(15) Uani 0.696(4) 1 d . U P C 2
C38A C 0.4329(6) 0.3498(2) 0.6393(3) 0.069(2) Uani 0.696(4) 1 d D U P C 2
C35A C 0.6019(4) 0.2710(3) 0.6552(3) 0.0641(18) Uani 0.696(4) 1 d . U P C 2
C41A C 0.3533(6) 0.3442(2) 0.7622(3) 0.0638(18) Uani 0.696(4) 1 d . U P C 2
C28A C 0.2298(5) 0.1770(2) 0.7314(3) 0.0673(19) Uani 0.696(4) 1 d D U P C 2
C33A C 0.5896(5) 0.2026(3) 0.6935(4) 0.069(2) Uani 0.696(4) 1 d . U P C 2
C43A C 0.2169(6) 0.2990(2) 0.7689(3) 0.071(2) Uani 0.696(4) 1 d . U P C 2
C26A C 0.1449(4) 0.2400(2) 0.7267(2) 0.0626(17) Uani 0.696(4) 1 d D U P C 2
C6A C 0.2393(6) 0.2695(2) 0.5823(2) 0.0603(17) Uani 0.696(4) 1 d . U P C 2
C24A C 0.1574(5) 0.3077(2) 0.6900(3) 0.076(2) Uani 0.696(4) 1 d D U P C 2
C2A C 0.2369(4) 0.1906(2) 0.5960(2) 0.0507(14) Uani 0.696(4) 1 d . U P C 2
C32A C 0.5231(5) 0.17023(19) 0.6815(3) 0.0626(18) Uani 0.696(4) 1 d . U P C 2
C49A C 0.5346(6) 0.2078(2) 0.7732(3) 0.075(2) Uani 0.696(4) 1 d . U P C 2
C31A C 0.4646(6) 0.1566(2) 0.7180(3) 0.071(2) Uani 0.696(4) 1 d . U P C 2
C16A C 0.5286(5) 0.2112(2) 0.6139(3) 0.0658(18) Uani 0.696(4) 1 d . U P C 2
C18A C 0.4863(5) 0.2819(2) 0.5895(2) 0.0619(17) Uani 0.696(4) 1 d D U P C 2
C37A C 0.5182(6) 0.3336(2) 0.6501(3) 0.0657(18) Uani 0.696(4) 1 d . U P C 2
C22A C 0.2822(5) 0.35518(19) 0.6660(3) 0.072(2) Uani 0.696(4) 1 d D U P C 2
C29A C 0.3135(6) 0.1601(2) 0.7414(4) 0.0693(19) Uani 0.696(4) 1 d . U P C 2
C56A C 0.3635(6) 0.2831(2) 0.8101(2) 0.075(2) Uani 0.696(4) 1 d D U P C 2
C4A C 0.3805(5) 0.2275(2) 0.5715(2) 0.0687(19) Uani 0.696(4) 1 d D U P C 2
C13A C 0.3325(5) 0.15248(18) 0.6580(3) 0.0634(17) Uani 0.696(4) 1 d . U P C 2
C05V C 0.1845(4) 0.1628(3) 0.5576(2) 0.100(2) Uani 1 1 d . U . C 2
H05A H 0.2116 0.1656 0.5273 0.120 Uiso 1 1 calc R U . C 2
H05B H 0.1862 0.1341 0.5669 0.120 Uiso 1 1 calc R U . C 2
C19A C 0.3952(6) 0.2996(2) 0.5794(3) 0.077(2) Uani 0.696(4) 1 d D U P C 2
C46A C 0.3508(7) 0.2111(2) 0.8028(2) 0.081(2) Uani 0.696(4) 1 d D U P C 2
C7A C 0.2148(6) 0.3029(2) 0.6084(3) 0.074(2) Uani 0.696(4) 1 d . U P C 2
C064 C 0.0004(6) 0.2463(2) 0.5661(3) 0.107(2) Uani 1 1 d . U . C 2
C065 C -0.1408(6) 0.2491(2) 0.6166(5) 0.139(3) Uani 1 1 d . U . C 2
H065 H -0.1701 0.2422 0.6438 0.167 Uiso 1 1 calc R U . C 2
C066 N -0.0190(7) 0.2813(3) 0.5426(3) 0.150(3) Uani 1 1 d . U . C 2
C067 C -0.0586(6) 0.2312(3) 0.5997(3) 0.117(2) Uani 1 1 d . U . C 2
H067 H -0.0415 0.2058 0.6128 0.140 Uiso 1 1 calc R U . C 2
C42B C 0.4191(18) 0.3607(7) 0.6581(8) 0.068(3) Uani 0.304(4) 1 d D U P C -2
C23B C 0.3942(14) 0.3428(5) 0.6074(9) 0.072(4) Uani 0.304(4) 1 d D U P C -2
C25B C 0.2456(13) 0.3463(5) 0.6481(6) 0.066(3) Uani 0.304(4) 1 d D U P C -2
C43B C 0.3290(13) 0.3643(5) 0.6854(7) 0.065(3) Uani 0.304(4) 1 d D U P C -2
C27B C 0.1848(10) 0.3191(4) 0.7190(5) 0.060(3) Uani 0.304(4) 1 d D U P C -2
C26B C 0.1854(11) 0.3254(4) 0.6662(5) 0.068(3) Uani 0.304(4) 1 d D U P C -2
C45B C 0.245(3) 0.3319(12) 0.7449(10) 0.072(4) Uani 0.304(4) 1 d D U P C -2
C44B C 0.3268(11) 0.3579(5) 0.7243(7) 0.072(3) Uani 0.304(4) 1 d D U P C -2
C22B C 0.4563(9) 0.3157(5) 0.5955(5) 0.063(3) Uani 0.304(4) 1 d D U P C -2
C24B C 0.2998(13) 0.3320(6) 0.6075(9) 0.071(4) Uani 0.304(4) 1 d D U P C -2
C41B C 0.4886(11) 0.3526(4) 0.6797(7) 0.064(3) Uani 0.304(4) 1 d D U P C -2
C39B C 0.537(2) 0.3083(8) 0.6224(9) 0.062(4) Uani 0.304(4) 1 d D U P C -2
C40B C 0.5623(13) 0.3237(5) 0.6688(8) 0.063(3) Uani 0.304(4) 1 d D U P C -2
C9B C 0.1839(11) 0.2764(4) 0.6005(5) 0.050(3) Uani 0.304(4) 1 d D U P C -2
C8B C 0.2706(10) 0.2980(5) 0.5832(5) 0.061(3) Uani 0.304(4) 1 d D U P C -2
C10B C 0.150(2) 0.2860(5) 0.6421(5) 0.062(4) Uani 0.304(4) 1 d D U P C -2
C7B C 0.3343(15) 0.2703(7) 0.5676(18) 0.062(4) Uani 0.304(4) 1 d D U P C -2
C21B C 0.4282(10) 0.2788(5) 0.5725(6) 0.059(3) Uani 0.304(4) 1 d D U P C -2
C57B C 0.4138(16) 0.3485(5) 0.7540(7) 0.068(3) Uani 0.304(4) 1 d D U P C -2
C56B C 0.493(2) 0.3469(12) 0.7336(13) 0.066(4) Uani 0.304(4) 1 d D U P C -2
C38B C 0.5679(11) 0.2626(5) 0.6182(5) 0.063(3) Uani 0.304(4) 1 d D U P C -2
C20B C 0.4961(15) 0.2483(8) 0.5851(10) 0.068(4) Uani 0.304(4) 1 d D U P C -2
C1B C 0.1991(17) 0.2269(8) 0.5886(8) 0.059(4) Uani 0.304(4) 1 d D U P C -2
C11B C 0.1259(9) 0.2557(4) 0.6797(4) 0.059(3) Uani 0.304(4) 1 d D U P C -2
C2B C 0.1783(10) 0.1980(5) 0.6242(5) 0.064(3) Uani 0.304(4) 1 d D U P C -2
C12B C 0.1499(19) 0.2095(7) 0.6718(7) 0.061(3) Uani 0.304(4) 1 d D U P C -2
C6B C 0.2963(11) 0.2282(5) 0.5716(4) 0.057(3) Uani 0.304(4) 1 d D U P C -2
C53B C 0.6206(8) 0.2582(5) 0.6994(5) 0.054(3) Uani 0.304(4) 1 d D U P C -2
C37B C 0.599(2) 0.2409(7) 0.6532(10) 0.061(3) Uani 0.304(4) 1 d D U P C -2
C54B C 0.594(2) 0.3026(7) 0.7066(8) 0.060(4) Uani 0.304(4) 1 d D U P C -2
C55B C 0.5578(11) 0.3110(4) 0.7514(5) 0.060(3) Uani 0.304(4) 1 d D U P C -2
C36B C 0.5628(10) 0.1958(5) 0.6565(6) 0.059(3) Uani 0.304(4) 1 d D U P C -2
C18B C 0.498(2) 0.1840(8) 0.6291(9) 0.064(4) Uani 0.304(4) 1 d D U P C -2
C13B C 0.1864(13) 0.1928(6) 0.7118(8) 0.066(3) Uani 0.304(4) 1 d D U P C -2
C30B C 0.184(2) 0.2136(10) 0.7474(10) 0.065(3) Uani 0.304(4) 1 d D U P C -2
C16B C 0.4202(12) 0.1500(5) 0.6894(7) 0.059(3) Uani 0.304(4) 1 d D U P C -2
C35B C 0.5626(13) 0.1905(6) 0.7119(7) 0.065(3) Uani 0.304(4) 1 d D U P C -2
C31B C 0.2890(10) 0.2002(5) 0.7832(5) 0.060(3) Uani 0.304(4) 1 d D U P C -2
C47B C 0.2454(16) 0.2716(8) 0.7878(9) 0.067(4) Uani 0.304(4) 1 d D U P C -2
C46B C 0.2857(14) 0.3122(5) 0.7844(6) 0.073(3) Uani 0.304(4) 1 d D U P C -2
C58B C 0.3797(19) 0.3215(7) 0.7887(11) 0.065(4) Uani 0.304(4) 1 d D U P C -2
C48B C 0.3179(10) 0.2379(4) 0.8056(5) 0.060(3) Uani 0.304(4) 1 d D U P C -2
C49B C 0.4112(11) 0.2463(4) 0.8116(9) 0.065(4) Uani 0.304(4) 1 d D U P C -2
C59B C 0.4506(10) 0.2874(4) 0.8050(5) 0.058(3) Uani 0.304(4) 1 d D U P C -2
C5B C 0.3646(16) 0.1954(8) 0.5892(11) 0.069(4) Uani 0.304(4) 1 d D U P C -2
C51B C 0.5562(9) 0.2385(4) 0.7757(5) 0.048(3) Uani 0.304(4) 1 d D U P C -2
C50B C 0.4775(9) 0.2167(4) 0.7951(5) 0.067(3) Uani 0.304(4) 1 d D U P C -2
C17B C 0.4219(12) 0.1581(5) 0.6499(7) 0.066(3) Uani 0.304(4) 1 d D U P C -2
C52B C 0.604(2) 0.2294(7) 0.7281(9) 0.054(3) Uani 0.304(4) 1 d D U P C -2
C32B C 0.3507(14) 0.1742(6) 0.7668(8) 0.069(4) Uani 0.304(4) 1 d D U P C -2
C4B C 0.3372(14) 0.1672(5) 0.6209(6) 0.066(3) Uani 0.304(4) 1 d D U P C -2
C3B C 0.2502(18) 0.1717(12) 0.6469(11) 0.066(4) Uani 0.304(4) 1 d D U P C -2
C15B C 0.3406(18) 0.1536(7) 0.7160(8) 0.065(4) Uani 0.304(4) 1 d D U P C -2
C34B C 0.5062(14) 0.1719(6) 0.7292(6) 0.064(3) Uani 0.304(4) 1 d D U P C -2
C60B C 0.540(2) 0.2825(5) 0.7835(14) 0.055(4) Uani 0.304(4) 1 d D U P C -2
C14B C 0.2606(12) 0.1628(5) 0.6962(7) 0.067(3) Uani 0.304(4) 1 d D U P C -2
C0DA C -0.1719(7) 0.2838(4) 0.5787(4) 0.156(3) Uani 1 1 d D U . C 2
H0DA H -0.2339 0.2903 0.5700 0.187 Uiso 1 1 calc R U . C 2
C12A C 0.2455(8) 0.1699(4) 0.6420(5) 0.060(3) Uani 0.696(4) 1 d . U P C 2
C44A C 0.2676(7) 0.2724(3) 0.7989(3) 0.078(3) Uani 0.696(4) 1 d D U P C 2
C8A C 0.1511(9) 0.2895(3) 0.6457(3) 0.080(3) Uani 0.696(4) 1 d D U P C 2
C20A C 0.3654(6) 0.3330(2) 0.6036(3) 0.069(2) Uani 0.696(4) 1 d D U P C 2
C29B C 0.1775(12) 0.2531(5) 0.7573(6) 0.063(3) Uani 0.304(4) 1 d . U P C -2
C33B C 0.4486(14) 0.1832(6) 0.7722(9) 0.069(4) Uani 0.304(4) 1 d D U P C -2
C28B C 0.155(3) 0.2747(6) 0.7274(5) 0.066(4) Uani 0.304(4) 1 d D U P C -2
C4 C 0.0263(3) 0.16092(17) 0.51935(16) 0.0646(12) Uani 1 1 d . . . . .
H4A H 0.0464 0.1680 0.4884 0.078 Uiso 1 1 calc R U . . .
H4B H -0.0354 0.1726 0.5222 0.078 Uiso 1 1 calc R U . . .
C2DA C 0.0212(3) 0.11377(16) 0.52417(18) 0.0668(13) Uani 1 1 d . . . . .
H2DA H 0.0818 0.1019 0.5188 0.080 Uiso 1 1 calc R U . . .
H2DB H 0.0060 0.1067 0.5560 0.080 Uiso 1 1 calc R U . . .
C3DA C -0.0527(4) 0.0956(2) 0.4888(2) 0.0859(17) Uani 1 1 d . U . . .
H3DA H -0.1132 0.1076 0.4941 0.103 Uiso 1 1 calc R U . . .
H3DB H -0.0372 0.1025 0.4570 0.103 Uiso 1 1 calc R U . . .
C5 C -0.0582(4) 0.0497(2) 0.4936(3) 0.104(2) Uani 1 1 d . U . . .
H5A H -0.1103 0.0395 0.4741 0.156 Uiso 1 1 calc R U . . .
H5B H -0.0663 0.0427 0.5260 0.156 Uiso 1 1 calc R U . . .
H5C H -0.0014 0.0375 0.4840 0.156 Uiso 1 1 calc R U . . .
C1 C 0.5926(2) 0.44100(9) 0.68729(11) 0.0289(6) Uani 1 1 d . . . B 1
C1DA C 0.3805(2) 0.43523(9) 0.81097(10) 0.0281(6) Uani 1 1 d . . . B 1
C19B C 0.4628(15) 0.2058(6) 0.5927(7) 0.072(3) Uani 0.304(4) 1 d . U P C -2


_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
N004 C01E 1.380(4) . ?
N004 C010 1.385(4) . ?
N004 C02V 1.426(4) . ?
N005 C01N 1.384(4) . ?
N005 C01Y 1.388(4) . ?
N005 C00R 1.414(4) . ?
N006 C01X 1.376(4) . ?
N006 C01F 1.385(4) . ?
N006 C01B 1.415(4) . ?
N007 C01P 1.384(4) . ?
N007 C01Q 1.388(4) . ?
N007 C01A 1.415(4) . ?
N008 C029 1.376(4) . ?
N008 C027 1.387(4) . ?
N008 C014 1.417(4) . ?
N009 C026 1.381(4) . ?
N009 C01O 1.382(4) . ?
N009 C01U 1.425(4) . ?
N00A C01Z 1.382(4) . ?
N00A C01I 1.389(4) . ?
N00A C011 1.413(4) . ?
N00B C01D 1.378(4) . ?
N00B C02A 1.382(4) . ?
N00B C018 1.421(4) . ?
N00C C013 1.388(4) . ?
N00C C015 1.389(4) . ?
N00C C016 1.409(4) . ?
N00D C019 1.385(4) . ?
N00D C032 1.389(4) . ?
N00D C01C 1.425(4) . ?
N00E C01R 1.382(4) . ?
N00E C020 1.382(4) . ?
N00E C017 1.414(4) . ?
N00F C02C 1.382(4) . ?
N00F C01J 1.391(4) . ?
N00F C02X 1.417(4) . ?
N00G C02E 1.387(4) . ?
N00G C01G 1.387(4) . ?
N00G C02R 1.424(4) . ?
N00H C01L 1.379(4) . ?
N00H C022 1.382(4) . ?
N00H C034 1.419(4) . ?
N00I C01V 1.378(4) . ?
N00I C02J 1.388(4) . ?
N00I C02O 1.422(4) . ?
N00J C028 1.385(4) . ?
N00J C01T 1.387(4) . ?
N00J C012 1.410(4) . ?
N00K C037 1.378(4) . ?
N00K C01S 1.386(4) . ?
N00K C02K 1.417(4) . ?
N00L C03J 1.380(5) . ?
N00L C036 1.393(4) . ?
N00L C02T 1.416(4) . ?
N00M C02L 1.369(4) . ?
N00M C02N 1.397(4) . ?
N00M C03R 1.408(4) . ?
N00N C02Z 1.373(4) . ?
N00N C03I 1.387(4) . ?
N00N C03A 1.418(4) . ?
C00O C00Z 1.381(4) . ?
C00O C00P 1.402(4) . ?
C00O C00S 1.404(4) . ?
C00P C00V 1.370(4) . ?
C00P C00X 1.410(4) . ?
C00Q C00T 1.374(4) . ?
C00Q C01A 1.456(4) . ?
C00Q C00R 1.459(4) . ?
C00R C016 1.411(4) . ?
C00S C1DA 1.376(4) . ?
C00S C00T 1.421(4) . ?
C00T C00X 1.411(4) . ?
C00V C017 1.461(4) . ?
C00V C011 1.464(4) . ?
C00X C1 1.367(4) . ?
C00Z C012 1.460(4) . ?
C00Z C018 1.460(4) . ?
C010 C02B 1.351(5) . ?
C011 C01C 1.411(4) . ?
C012 C017 1.418(4) . ?
C013 C01K 1.366(5) . ?
C014 C018 1.418(4) . ?
C014 C1DA 1.461(4) . ?
C015 C025 1.366(5) . ?
C016 C1 1.463(4) . ?
C019 C02D 1.374(5) . ?
C01A C01B 1.413(4) . ?
C01B C1DA 1.456(4) . ?
C01C C1 1.458(4) . ?
C01D C02Q 1.370(5) . ?
C01E C02H 1.356(5) . ?
C01F C021 1.365(5) . ?
C01G C02Y 1.367(5) . ?
C01H C02G 1.391(5) . ?
C01H C024 1.396(5) . ?
C01H C01W 1.399(5) . ?
C01I C03B 1.361(5) . ?
C01J C02U 1.355(5) . ?
C01K C025 1.411(5) . ?
C01L C035 1.370(5) . ?
C01M C023 1.389(5) . ?
C01M C02S 1.392(5) . ?
C01M C01W 1.394(5) . ?
C01N C02P 1.372(5) . ?
C01O C02W 1.361(5) . ?
C01P C02I 1.366(5) . ?
C01Q C02F 1.359(5) . ?
C01R C03L 1.371(5) . ?
C01S C03F 1.362(5) . ?
C01T C03K 1.367(5) . ?
C01U C02G 1.440(5) . ?
C01U C02R 1.449(5) . ?
C01V C030 1.363(5) . ?
C01W C02M 1.384(5) . ?
C01X C03C 1.362(5) . ?
C01Y C03M 1.373(5) . ?
C01Z C03O 1.364(5) . ?
C020 C03G 1.360(5) . ?
C021 C03C 1.407(6) . ?
C022 C03P 1.352(5) . ?
C023 C024 1.388(5) . ?
C023 C03S 1.396(5) . ?
C024 C039 1.385(5) . ?
C026 C03W 1.363(5) . ?
C027 C038 1.359(5) . ?
C028 C03E 1.363(5) . ?
C029 C031 1.374(5) . ?
C02A C03U 1.352(5) . ?
C02B C02H 1.421(5) . ?
C02C C03T 1.353(5) . ?
C02D C03H 1.409(6) . ?
C02E C03D 1.365(5) . ?
C02F C02I 1.422(5) . ?
C02G C02V 1.443(5) . ?
C02J C03N 1.364(5) . ?
C02K C039 1.441(5) . ?
C02K C02V 1.445(5) . ?
C02L C03Q 1.363(5) . ?
C02M C034 1.445(5) . ?
C02M C02R 1.449(5) . ?
C02N C033 1.362(5) . ?
C02O C03A 1.437(5) . ?
C02O C03S 1.439(5) . ?
C02P C03M 1.407(6) . ?
C02Q C03U 1.426(5) . ?
C02S C02T 1.433(5) . ?
C02S C02X 1.446(5) . ?
C02T C034 1.474(5) . ?
C02U C03T 1.421(6) . ?
C02W C03W 1.416(6) . ?
C02X C03R 1.454(5) . ?
C02Y C03D 1.411(6) . ?
C02Z C03Z 1.371(5) . ?
C030 C03N 1.401(6) . ?
C031 C038 1.410(5) . ?
C032 C03H 1.363(5) . ?
C033 C03Q 1.413(6) . ?
C035 C03P 1.413(6) . ?
C036 C042 1.366(6) . ?
C037 C03X 1.352(5) . ?
C039 C03A 1.455(5) . ?
C03B C03O 1.415(6) . ?
C03E C03K 1.427(5) . ?
C03F C03X 1.414(6) . ?
C03G C03L 1.424(6) . ?
C03I C03Y 1.355(5) . ?
C03J C040 1.363(5) . ?
C03R C03S 1.438(5) . ?
C03V C05V 1.417(8) . ?
C03V C 1.447(7) . ?
C03V C4 1.465(6) . ?
C03Y C03Z 1.404(6) . ?
C040 C042 1.408(7) . ?
C54A C55B 1.282(19) . ?
C54A C57B 1.40(3) . ?
C54A C53A 1.421(18) . ?
C54A C55A 1.436(13) . ?
C54A C40A 1.437(14) . ?
C54A C41B 1.70(2) . ?
C59A C51B 1.295(17) . ?
C59A C55B 1.35(2) . ?
C59A C55A 1.372(14) . ?
C59A C51A 1.431(14) . ?
C59A C58A 1.463(14) . ?
C59A C59B 1.652(19) . ?
C5A C6B 1.330(18) . ?
C5A C6A 1.392(16) . ?
C5A C8B 1.424(19) . ?
C5A C4A 1.450(12) . ?
C5A C19A 1.458(11) . ?
C5A C21B 1.463(18) . ?
C52A C53B 1.051(16) . ?
C52A C51A 1.351(12) . ?
C52A C53A 1.471(11) . ?
C52A C35A 1.489(12) . ?
C52A C40B 1.58(2) . ?
C52A C55B 1.729(17) . ?
C57A C48B 1.404(17) . ?
C57A C58A 1.408(15) . ?
C57A C50B 1.410(17) . ?
C57A C46A 1.435(10) . ?
C57A C56A 1.460(11) . ?
C57A C59B 1.526(16) . ?
C1A C9B 1.423(17) . ?
C1A C2B 1.428(18) . ?
C1A C9A 1.511(12) . ?
C1A C6A 1.525(12) . ?
C1A C 1.578(11) . ?
C1A C2A 1.617(10) . ?
C1A C6B 1.856(18) . ?
C10A C11B 1.139(15) . ?
C10A C9A 1.355(10) . ?
C10A C13B 1.44(2) . ?
C10A C26A 1.472(9) . ?
C10A C11A 1.483(9) . ?
C10A C2B 1.855(15) . ?
C10A C30B 2.01(3) . ?
C34A C36B 1.118(18) . ?
C34A C33A 1.392(17) . ?
C34A C35A 1.434(12) . ?
C34A C16A 1.515(14) . ?
C34A C38B 1.56(2) . ?
C34A C53B 1.674(17) . ?
C50A C51B 1.301(17) . ?
C50A C35B 1.31(2) . ?
C50A C49A 1.352(15) . ?
C50A C33A 1.444(15) . ?
C50A C51A 1.478(12) . ?
C50A C53B 1.750(18) . ?
C50A C34B 2.01(3) . ?
C04G C59B 1.123(16) . ?
C04G C56A 1.300(13) . ?
C04G C55A 1.436(11) . ?
C04G C41A 1.498(13) . ?
C04G C57B 1.60(2) . ?
C04G C46B 1.74(2) . ?
C04H C066 1.411(11) . ?
C04H C0DA 1.421(8) . ?
C42A C46B 1.27(2) . ?
C42A C41A 1.375(15) . ?
C42A C44B 1.43(2) . ?
C42A C27B 1.465(18) . ?
C42A C43A 1.468(17) . ?
C42A C23A 1.477(16) . ?
C42A C58B 2.02(3) . ?
C36A C38B 1.141(19) . ?
C36A C35A 1.323(13) . ?
C36A C18A 1.457(15) . ?
C36A C37A 1.493(14) . ?
C36A C40B 1.50(2) . ?
C36A C22B 1.721(19) . ?
C27A C45A 1.340(12) . ?
C27A C29B 1.37(2) . ?
C27A C31B 1.447(18) . ?
C27A C28A 1.456(11) . ?
C27A C13B 1.48(2) . ?
C27A C26A 1.481(10) . ?
C53A C40B 0.90(2) . ?
C53A C54B 1.03(2) . ?
C53A C41B 1.323(18) . ?
C53A C37A 1.471(11) . ?
C53A C56B 1.48(4) . ?
C53A C55B 1.586(17) . ?
C15A C17B 1.14(2) . ?
C15A C14A 1.337(15) . ?
C15A C32A 1.414(15) . ?
C15A C36B 1.44(2) . ?
C15A C16A 1.502(14) . ?
C15A C19B 1.59(3) . ?
C15A C16B 2.01(2) . ?
C25A C29B 1.28(2) . ?
C25A C27B 1.327(19) . ?
C25A C26A 1.397(11) . ?
C25A C24A 1.408(14) . ?
C25A C43A 1.504(15) . ?
C25A C11B 1.700(16) . ?
C39A C43B 0.758(17) . ?
C39A C42B 0.84(2) . ?
C39A C40A 1.422(11) . ?
C39A C22A 1.430(9) . ?
C39A C38A 1.458(10) . ?
C39A C44B 1.57(2) . ?
C39A C41B 1.612(17) . ?
C3A C6B 1.30(2) . ?
C3A C4A 1.305(15) . ?
C3A C4B 1.32(2) . ?
C3A C14A 1.494(17) . ?
C3A C2A 1.507(9) . ?
C3A C19B 1.80(2) . ?
C48A C33B 0.540(19) . ?
C48A C34B 1.08(2) . ?
C48A C31A 1.334(14) . ?
C48A C47A 1.402(15) . ?
C48A C49A 1.485(13) . ?
C48A C50B 1.701(17) . ?
C48A C32B 1.71(2) . ?
C C1B 1.68(3) . ?
C C064 1.702(11) . ?
C17A C19B 1.07(2) . ?
C17A C16A 1.366(13) . ?
C17A C4A 1.451(10) . ?
C17A C18A 1.459(10) . ?
C17A C21B 1.549(19) . ?
C17A C38B 1.758(17) . ?
C11A C13B 0.935(19) . ?
C11A C12B 1.11(3) . ?
C11A C14B 1.21(2) . ?
C11A C3B 1.37(3) . ?
C11A C12A 1.457(17) . ?
C11A C28A 1.486(9) . ?
C11A C2B 1.717(17) . ?
C30A C15B 0.61(2) . ?
C30A C16B 0.830(16) . ?
C30A C13A 1.382(11) . ?
C30A C31A 1.399(13) . ?
C30A C29A 1.455(12) . ?
C30A C14B 1.661(19) . ?
C30A C17B 1.76(2) . ?
C30A C32B 2.03(2) . ?
C21A C24B 0.569(19) . ?
C21A C25B 0.943(18) . ?
C21A C22A 1.393(10) . ?
C21A C20A 1.418(10) . ?
C21A C7A 1.460(11) . ?
C21A C8B 1.682(17) . ?
C21A C23B 1.78(2) . ?
C21A C26B 1.919(17) . ?
C45A C48B 0.945(15) . ?
C45A C31B 1.054(17) . ?
C45A C47B 1.42(3) . ?
C45A C46A 1.439(10) . ?
C45A C44A 1.444(11) . ?
C45A C29B 1.70(2) . ?
C45A C30B 1.70(3) . ?
C47A C32B 0.552(18) . ?
C47A C33B 1.02(2) . ?
C47A C46A 1.331(13) . ?
C47A C31B 1.494(19) . ?
C47A C29A 1.517(13) . ?
C47A C50B 1.888(16) . ?
C47A C15B 2.02(3) . ?
C14A C4B 0.821(18) . ?
C14A C17B 0.941(19) . ?
C14A C5B 1.33(3) . ?
C14A C13A 1.505(12) . ?
C14A C18B 1.58(3) . ?
C14A C19B 1.80(2) . ?
C14A C16B 2.04(2) . ?
C9A C11B 1.199(13) . ?
C9A C10B 1.332(16) . ?
C9A C12B 1.46(2) . ?
C9A C8A 1.454(11) . ?
C9A C9B 1.667(15) . ?
C9A C2B 1.696(15) . ?
C9A C1B 1.84(2) . ?
C23A C27B 1.087(15) . ?
C23A C26B 1.225(14) . ?
C23A C45B 1.31(3) . ?
C23A C22A 1.394(11) . ?
C23A C24A 1.491(10) . ?
C23A C25B 1.55(2) . ?
C23A C44B 1.649(17) . ?
C23A C43B 1.74(2) . ?
C55A C55B 1.177(16) . ?
C55A C60B 1.19(3) . ?
C55A C59B 1.374(14) . ?
C55A C56B 1.66(3) . ?
C55A C57B 1.77(2) . ?
C55A C58B 1.78(3) . ?
C58A C50B 0.903(13) . ?
C58A C51B 1.016(14) . ?
C58A C49A 1.393(12) . ?
C58A C49B 1.427(18) . ?
C58A C60B 1.50(2) . ?
C58A C59B 1.698(17) . ?
C40A C57B 0.873(18) . ?
C40A C56B 1.21(3) . ?
C40A C44B 1.234(17) . ?
C40A C41A 1.469(12) . ?
C40A C43B 1.61(2) . ?
C40A C41B 1.759(18) . ?
C40A C42B 1.92(2) . ?
C51A C52B 1.24(2) . ?
C51A C53B 1.263(14) . ?
C51A C51B 1.503(15) . ?
C51A C54B 1.56(2) . ?
C51A C60B 1.64(2) . ?
C51A C55B 1.640(15) . ?
C38A C42B 0.68(2) . ?
C38A C23B 1.05(2) . ?
C38A C37A 1.346(12) . ?
C38A C41B 1.36(2) . ?
C38A C20A 1.458(11) . ?
C38A C22B 1.712(19) . ?
C35A C37B 0.98(2) . ?
C35A C38B 1.162(16) . ?
C35A C53B 1.332(16) . ?
C35A C39B 1.76(2) . ?
C35A C54B 1.79(2) . ?
C35A C40B 1.851(19) . ?
C41A C57B 0.92(2) . ?
C41A C58B 1.10(3) . ?
C41A C44B 1.20(2) . ?
C41A C46B 1.58(2) . ?
C41A C45B 1.65(4) . ?
C28A C13B 0.96(2) . ?
C28A C14B 1.210(17) . ?
C28A C29A 1.332(11) . ?
C28A C30B 1.45(3) . ?
C28A C31B 1.815(16) . ?
C28A C15B 1.84(3) . ?
C28A C32B 1.95(2) . ?
C33A C35B 0.78(2) . ?
C33A C36B 1.117(18) . ?
C33A C52B 1.32(3) . ?
C33A C32A 1.444(11) . ?
C33A C37B 1.70(3) . ?
C33A C53B 1.866(18) . ?
C33A C34B 1.90(2) . ?
C43A C47B 1.11(3) . ?
C43A C46B 1.13(2) . ?
C43A C45B 1.34(3) . ?
C43A C44A 1.387(13) . ?
C43A C27B 1.598(17) . ?
C43A C29B 1.620(19) . ?
C43A C28B 1.63(2) . ?
C26A C29B 1.051(18) . ?
C26A C28B 1.137(18) . ?
C26A C30B 1.16(3) . ?
C26A C11B 1.436(15) . ?
C26A C13B 1.71(2) . ?
C26A C12B 1.85(2) . ?
C6A C9B 0.998(15) . ?
C6A C8B 1.027(15) . ?
C6A C7A 1.371(12) . ?
C6A C7B 1.45(3) . ?
C6A C1B 1.51(3) . ?
C6A C6B 1.609(19) . ?
C24A C27B 0.965(15) . ?
C24A C26B 0.993(16) . ?
C24A C8A 1.387(12) . ?
C24A C28B 1.509(19) . ?
C24A C10B 1.529(17) . ?
C24A C11B 1.767(15) . ?
C2A C2B 1.220(15) . ?
C2A C1B 1.31(2) . ?
C2A C12A 1.467(13) . ?
C2A C3B 1.57(3) . ?
C2A C05V 1.568(8) . ?
C2A C6B 1.665(14) . ?
C2A C4B 1.74(2) . ?
C2A C5B 1.86(2) . ?
C32A C35B 1.197(19) . ?
C32A C36B 1.252(17) . ?
C32A C34B 1.393(19) . ?
C32A C31A 1.443(12) . ?
C32A C18B 1.57(3) . ?
C32A C16B 1.642(18) . ?
C32A C17B 1.700(19) . ?
C49A C51B 1.045(14) . ?
C49A C50B 1.097(15) . ?
C49A C33B 1.47(2) . ?
C49A C34B 1.74(2) . ?
C49A C52B 1.81(3) . ?
C49A C35B 1.89(2) . ?
C31A C34B 0.82(2) . ?
C31A C16B 1.022(18) . ?
C31A C15B 1.77(3) . ?
C31A C33B 1.79(2) . ?
C31A C35B 1.80(2) . ?
C31A C17B 1.99(2) . ?
C16A C18B 1.09(2) . ?
C16A C19B 1.10(2) . ?
C16A C36B 1.369(18) . ?
C16A C20B 1.51(3) . ?
C16A C37B 1.75(3) . ?
C16A C38B 1.764(17) . ?
C18A C21B 0.940(16) . ?
C18A C20B 1.11(3) . ?
C18A C22B 1.196(18) . ?
C18A C39B 1.43(3) . ?
C18A C19A 1.437(10) . ?
C18A C38B 1.516(19) . ?
C37A C40B 0.860(19) . ?
C37A C41B 1.147(18) . ?
C37A C39B 1.18(3) . ?
C37A C42B 1.70(3) . ?
C37A C22B 1.830(17) . ?
C22A C25B 0.763(17) . ?
C22A C43B 0.891(19) . ?
C22A C26B 1.690(16) . ?
C22A C44B 1.74(2) . ?
C22A C24B 1.86(2) . ?
C22A C42B 1.99(3) . ?
C29A C15B 0.87(2) . ?
C29A C32B 0.983(18) . ?
C29A C14B 1.45(2) . ?
C29A C31B 1.813(19) . ?
C56A C59B 1.272(15) . ?
C56A C49B 1.374(17) . ?
C56A C58B 1.42(3) . ?
C56A C44A 1.432(10) . ?
C56A C46B 1.60(2) . ?
C56A C48B 1.608(16) . ?
C56A C47B 1.81(2) . ?
C4A C5B 1.19(3) . ?
C4A C6B 1.207(17) . ?
C4A C19B 1.47(2) . ?
C4A C7B 1.54(3) . ?
C4A C21B 1.797(17) . ?
C4A C20B 1.81(2) . ?
C13A C4B 1.163(18) . ?
C13A C17B 1.328(18) . ?
C13A C3B 1.35(3) . ?
C13A C12A 1.416(12) . ?
C13A C16B 1.493(19) . ?
C13A C14B 1.577(17) . ?
C13A C15B 1.64(2) . ?
C19A C21B 0.856(15) . ?
C19A C22B 1.093(15) . ?
C19A C7B 1.32(2) . ?
C19A C20A 1.368(12) . ?
C19A C23B 1.613(18) . ?
C19A C8B 1.795(17) . ?
C19A C24B 1.936(18) . ?
C46A C48B 0.996(15) . ?
C46A C31B 1.074(15) . ?
C46A C49B 1.447(15) . ?
C46A C32B 1.573(18) . ?
C46A C50B 1.850(16) . ?
C46A C33B 1.922(19) . ?
C7A C9B 0.988(14) . ?
C7A C8B 1.119(16) . ?
C7A C10B 1.48(2) . ?
C7A C8A 1.504(15) . ?
C7A C24B 1.54(2) . ?
C7A C25B 1.84(2) . ?
C7A C26B 1.868(16) . ?
C064 C066 1.338(10) . ?
C064 C067 1.404(11) . ?
C065 C067 1.424(11) . ?
C065 C0DA 1.602(15) . ?
C42B C41B 1.16(3) . ?
C42B C43B 1.55(3) . ?
C42B C23B 1.57(3) . ?
C42B C20A 1.91(2) . ?
C23B C20A 0.526(16) . ?
C23B C22B 1.31(2) . ?
C23B C24B 1.40(2) . ?
C25B C26B 1.24(2) . ?
C25B C24B 1.50(2) . ?
C25B C43B 1.65(3) . ?
C43B C44B 1.13(3) . ?
C27B C45B 1.17(4) . ?
C27B C26B 1.516(14) . ?
C27B C28B 1.528(16) . ?
C26B C8A 1.379(17) . ?
C26B C10B 1.521(15) . ?
C45B C46B 1.39(4) . ?
C45B C44B 1.59(4) . ?
C44B C57B 1.49(3) . ?
C22B C39B 1.36(3) . ?
C22B C21B 1.41(2) . ?
C22B C20A 1.450(17) . ?
C24B C20A 0.953(18) . ?
C24B C8B 1.35(2) . ?
C41B C40B 1.46(2) . ?
C41B C56B 1.54(4) . ?
C39B C40B 1.43(3) . ?
C39B C38B 1.56(3) . ?
C40B C54B 1.33(3) . ?
C9B C10B 1.34(2) . ?
C9B C8A 1.459(17) . ?
C9B C8B 1.53(2) . ?
C9B C1B 1.66(3) . ?
C8B C7B 1.37(3) . ?
C8B C20A 1.836(15) . ?
C10B C11B 1.512(15) . ?
C7B C21B 1.37(2) . ?
C7B C6B 1.48(3) . ?
C21B C20B 1.42(3) . ?
C57B C56B 1.30(4) . ?
C57B C58B 1.43(3) . ?
C56B C55B 1.55(3) . ?
C38B C37B 1.28(3) . ?
C38B C20B 1.42(3) . ?
C20B C19B 1.48(3) . ?
C1B C2B 1.42(3) . ?
C1B C6B 1.50(3) . ?
C11B C28B 1.520(15) . ?
C11B C8A 1.525(18) . ?
C11B C12B 1.56(3) . ?
C2B C12A 1.40(2) . ?
C2B C3B 1.46(3) . ?
C2B C12B 1.49(2) . ?
C12B C13B 1.33(3) . ?
C6B C5B 1.51(3) . ?
C53B C52B 1.28(3) . ?
C53B C37B 1.44(3) . ?
C53B C54B 1.51(2) . ?
C37B C36B 1.56(3) . ?
C54B C55B 1.43(3) . ?
C55B C60B 1.33(3) . ?
C36B C18B 1.23(3) . ?
C36B C35B 1.58(3) . ?
C18B C19B 1.32(3) . ?
C18B C17B 1.52(3) . ?
C13B C30B 1.22(3) . ?
C13B C14B 1.53(3) . ?
C30B C29B 1.32(4) . ?
C30B C31B 1.82(3) . ?
C16B C17B 1.15(2) . ?
C16B C15B 1.41(3) . ?
C16B C34B 1.77(3) . ?
C35B C34B 1.14(3) . ?
C35B C52B 1.45(3) . ?
C31B C32B 1.33(2) . ?
C31B C48B 1.427(19) . ?
C47B C29B 1.39(3) . ?
C47B C46B 1.44(3) . ?
C47B C48B 1.57(3) . ?
C46B C58B 1.38(3) . ?
C46B C44A 1.39(2) . ?
C58B C59B 1.55(3) . ?
C48B C44A 1.339(17) . ?
C48B C49B 1.36(2) . ?
C49B C50B 1.451(15) . ?
C49B C59B 1.464(15) . ?
C59B C60B 1.463(16) . ?
C5B C4B 1.36(3) . ?
C5B C19B 1.44(3) . ?
C51B C60B 1.467(16) . ?
C51B C50B 1.470(14) . ?
C51B C52B 1.58(3) . ?
C50B C33B 1.32(2) . ?
C17B C4B 1.45(3) . ?
C32B C33B 1.43(2) . ?
C32B C15B 1.59(3) . ?
C4B C12A 1.48(2) . ?
C4B C3B 1.50(4) . ?
C3B C14B 1.43(3) . ?
C15B C14B 1.28(3) . ?
C34B C33B 1.56(3) . ?
C14B C12A 1.56(2) . ?
C44A C29B 1.80(2) . ?
C29B C28B 1.13(3) . ?
C4 C2DA 1.540(8) . ?
C2DA C3DA 1.528(7) . ?
C3DA C5 1.500(10) . ?

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
C01E N004 C010 108.2(3) . . ?
C01E N004 C02V 123.7(3) . . ?
C010 N004 C02V 126.8(3) . . ?
C01N N005 C01Y 108.5(3) . . ?
C01N N005 C00R 124.4(3) . . ?
C01Y N005 C00R 126.8(3) . . ?
C01X N006 C01F 108.4(3) . . ?
C01X N006 C01B 123.3(3) . . ?
C01F N006 C01B 128.3(3) . . ?
C01P N007 C01Q 108.4(3) . . ?
C01P N007 C01A 126.4(3) . . ?
C01Q N007 C01A 125.1(3) . . ?
C029 N008 C027 109.0(3) . . ?
C029 N008 C014 124.2(3) . . ?
C027 N008 C014 126.4(3) . . ?
C026 N009 C01O 108.4(3) . . ?
C026 N009 C01U 124.6(3) . . ?
C01O N009 C01U 126.5(3) . . ?
C01Z N00A C01I 108.9(3) . . ?
C01Z N00A C011 127.1(3) . . ?
C01I N00A C011 123.7(3) . . ?
C01D N00B C02A 108.9(3) . . ?
C01D N00B C018 126.0(3) . . ?
C02A N00B C018 124.6(3) . . ?
C013 N00C C015 108.9(3) . . ?
C013 N00C C016 128.6(3) . . ?
C015 N00C C016 122.4(3) . . ?
C019 N00D C032 108.9(3) . . ?
C019 N00D C01C 126.8(3) . . ?
C032 N00D C01C 124.0(3) . . ?
C01R N00E C020 108.5(3) . . ?
C01R N00E C017 126.3(3) . . ?
C020 N00E C017 124.9(3) . . ?
C02C N00F C01J 108.2(3) . . ?
C02C N00F C02X 124.0(3) . . ?
C01J N00F C02X 127.0(3) . . ?
C02E N00G C01G 108.5(3) . . ?
C02E N00G C02R 124.7(3) . . ?
C01G N00G C02R 126.1(3) . . ?
C01L N00H C022 108.8(3) . . ?
C01L N00H C034 124.3(3) . . ?
C022 N00H C034 126.4(3) . . ?
C01V N00I C02J 108.4(3) . . ?
C01V N00I C02O 127.6(3) . . ?
C02J N00I C02O 123.1(3) . . ?
C028 N00J C01T 108.6(3) . . ?
C028 N00J C012 128.2(3) . . ?
C01T N00J C012 123.0(3) . . ?
C037 N00K C01S 108.0(3) . . ?
C037 N00K C02K 124.7(3) . . ?
C01S N00K C02K 126.3(3) . . ?
C03J N00L C036 109.3(3) . . ?
C03J N00L C02T 124.9(3) . . ?
C036 N00L C02T 125.3(3) . . ?
C02L N00M C02N 108.8(3) . . ?
C02L N00M C03R 125.3(3) . . ?
C02N N00M C03R 125.5(3) . . ?
C02Z N00N C03I 109.0(3) . . ?
C02Z N00N C03A 126.2(3) . . ?
C03I N00N C03A 124.5(3) . . ?
C00Z C00O C00P 124.1(3) . . ?
C00Z C00O C00S 124.6(3) . . ?
C00P C00O C00S 108.6(3) . . ?
C00V C00P C00O 124.8(3) . . ?
C00V C00P C00X 124.3(3) . . ?
C00O C00P C00X 107.9(3) . . ?
C00T C00Q C01A 113.0(3) . . ?
C00T C00Q C00R 112.6(3) . . ?
C01A C00Q C00R 134.1(3) . . ?
C016 C00R N005 117.0(3) . . ?
C016 C00R C00Q 121.8(3) . . ?
N005 C00R C00Q 121.2(3) . . ?
C1DA C00S C00O 124.9(3) . . ?
C1DA C00S C00T 124.2(3) . . ?
C00O C00S C00T 107.7(2) . . ?
C00Q C00T C00X 125.0(3) . . ?
C00Q C00T C00S 124.3(3) . . ?
C00X C00T C00S 107.6(3) . . ?
C00P C00V C017 113.2(3) . . ?
C00P C00V C011 113.0(3) . . ?
C017 C00V C011 133.5(3) . . ?
C1 C00X C00P 124.7(3) . . ?
C1 C00X C00T 124.2(3) . . ?
C00P C00X C00T 108.2(3) . . ?
C00O C00Z C012 112.8(3) . . ?
C00O C00Z C018 112.8(3) . . ?
C012 C00Z C018 134.1(3) . . ?
C02B C010 N004 108.1(3) . . ?
C01C C011 N00A 118.9(3) . . ?
C01C C011 C00V 121.9(3) . . ?
N00A C011 C00V 119.2(3) . . ?
N00J C012 C017 118.8(3) . . ?
N00J C012 C00Z 118.9(3) . . ?
C017 C012 C00Z 122.3(3) . . ?
C01K C013 N00C 107.4(3) . . ?
N008 C014 C018 118.1(3) . . ?
N008 C014 C1DA 119.5(3) . . ?
C018 C014 C1DA 122.4(3) . . ?
C025 C015 N00C 107.6(3) . . ?
N00C C016 C00R 118.5(3) . . ?
N00C C016 C1 119.0(3) . . ?
C00R C016 C1 122.5(3) . . ?
N00E C017 C012 117.6(3) . . ?
N00E C017 C00V 121.0(3) . . ?
C012 C017 C00V 121.4(3) . . ?
C014 C018 N00B 117.1(2) . . ?
C014 C018 C00Z 122.0(3) . . ?
N00B C018 C00Z 120.9(3) . . ?
C02D C019 N00D 107.5(3) . . ?
C01B C01A N007 118.6(3) . . ?
C01B C01A C00Q 122.2(3) . . ?
N007 C01A C00Q 119.2(3) . . ?
C01A C01B N006 117.2(3) . . ?
C01A C01B C1DA 122.3(3) . . ?
N006 C01B C1DA 120.4(3) . . ?
C011 C01C N00D 117.1(3) . . ?
C011 C01C C1 122.2(3) . . ?
N00D C01C C1 120.7(3) . . ?
C02Q C01D N00B 108.0(3) . . ?
C02H C01E N004 108.4(3) . . ?
C021 C01F N006 107.5(3) . . ?
C02Y C01G N00G 107.8(3) . . ?
C02G C01H C024 124.5(3) . . ?
C02G C01H C01W 124.5(3) . . ?
C024 C01H C01W 108.1(3) . . ?
C03B C01I N00A 107.7(3) . . ?
C02U C01J N00F 107.9(3) . . ?
C013 C01K C025 108.2(3) . . ?
C035 C01L N00H 107.5(3) . . ?
C023 C01M C02S 124.7(3) . . ?
C023 C01M C01W 108.2(3) . . ?
C02S C01M C01W 124.2(3) . . ?
C02P C01N N005 108.1(3) . . ?
C02W C01O N009 108.3(3) . . ?
C02I C01P N007 108.1(3) . . ?
C02F C01Q N007 108.2(3) . . ?
C03L C01R N00E 107.7(3) . . ?
C03F C01S N00K 107.8(3) . . ?
C03K C01T N00J 108.2(3) . . ?
N009 C01U C02G 121.1(3) . . ?
N009 C01U C02R 117.3(3) . . ?
C02G C01U C02R 121.5(3) . . ?
C030 C01V N00I 108.1(3) . . ?
C02M C01W C01M 125.5(3) . . ?
C02M C01W C01H 124.3(3) . . ?
C01M C01W C01H 107.5(3) . . ?
C03C C01X N006 108.6(3) . . ?
C03M C01Y N005 107.6(3) . . ?
C03O C01Z N00A 107.5(3) . . ?
C03G C020 N00E 108.8(3) . . ?
C01F C021 C03C 108.3(3) . . ?
C03P C022 N00H 108.2(3) . . ?
C024 C023 C01M 108.4(3) . . ?
C024 C023 C03S 124.4(3) . . ?
C01M C023 C03S 124.7(3) . . ?
C039 C024 C023 124.9(3) . . ?
C039 C024 C01H 124.3(4) . . ?
C023 C024 C01H 107.8(3) . . ?
C015 C025 C01K 107.9(3) . . ?
C03W C026 N009 108.0(3) . . ?
C038 C027 N008 107.7(3) . . ?
C03E C028 N00J 108.1(3) . . ?
C031 C029 N008 107.6(3) . . ?
C03U C02A N00B 108.0(3) . . ?
C010 C02B C02H 108.0(3) . . ?
C03T C02C N00F 108.3(3) . . ?
C019 C02D C03H 107.7(3) . . ?
C03D C02E N00G 107.9(3) . . ?
C01Q C02F C02I 107.7(3) . . ?
C01H C02G C01U 113.6(3) . . ?
C01H C02G C02V 112.6(3) . . ?
C01U C02G C02V 133.3(3) . . ?
C01E C02H C02B 107.3(3) . . ?
C01P C02I C02F 107.6(3) . . ?
C03N C02J N00I 107.6(3) . . ?
N00K C02K C039 122.1(3) . . ?
N00K C02K C02V 117.3(3) . . ?
C039 C02K C02V 120.6(3) . . ?
C03Q C02L N00M 108.2(3) . . ?
C01W C02M C034 113.0(3) . . ?
C01W C02M C02R 113.5(3) . . ?
C034 C02M C02R 133.0(3) . . ?
C033 C02N N00M 107.1(3) . . ?
N00I C02O C03A 116.8(3) . . ?
N00I C02O C03S 120.9(3) . . ?
C03A C02O C03S 122.3(3) . . ?
C01N C02P C03M 107.6(3) . . ?
C01D C02Q C03U 107.0(3) . . ?
N00G C02R C01U 118.2(3) . . ?
N00G C02R C02M 120.0(3) . . ?
C01U C02R C02M 121.8(3) . . ?
C01M C02S C02T 113.3(3) . . ?
C01M C02S C02X 113.0(3) . . ?
C02T C02S C02X 133.4(3) . . ?
N00L C02T C02S 120.4(3) . . ?
N00L C02T C034 117.5(3) . . ?
C02S C02T C034 122.1(3) . . ?
C01J C02U C03T 107.7(3) . . ?
N004 C02V C02G 117.9(3) . . ?
N004 C02V C02K 119.0(3) . . ?
C02G C02V C02K 123.0(3) . . ?
C01O C02W C03W 107.4(3) . . ?
N00F C02X C02S 121.3(3) . . ?
N00F C02X C03R 117.0(3) . . ?
C02S C02X C03R 121.7(3) . . ?
C01G C02Y C03D 107.9(3) . . ?
C03Z C02Z N00N 107.2(3) . . ?
C01V C030 C03N 107.9(3) . . ?
C029 C031 C038 107.6(3) . . ?
C03H C032 N00D 107.4(3) . . ?
C02N C033 C03Q 108.1(3) . . ?
N00H C034 C02M 121.4(3) . . ?
N00H C034 C02T 117.5(3) . . ?
C02M C034 C02T 121.0(3) . . ?
C01L C035 C03P 107.7(3) . . ?
C042 C036 N00L 106.7(4) . . ?
C03X C037 N00K 108.9(3) . . ?
C027 C038 C031 108.1(3) . . ?
C024 C039 C02K 114.2(3) . . ?
C024 C039 C03A 112.8(3) . . ?
C02K C039 C03A 132.7(3) . . ?
N00N C03A C02O 119.7(3) . . ?
N00N C03A C039 118.7(3) . . ?
C02O C03A C039 121.6(3) . . ?
C01I C03B C03O 107.8(3) . . ?
C01X C03C C021 107.2(3) . . ?
C02E C03D C02Y 107.9(3) . . ?
C028 C03E C03K 107.8(3) . . ?
C01S C03F C03X 107.9(3) . . ?
C020 C03G C03L 107.0(3) . . ?
C032 C03H C02D 108.4(3) . . ?
C03Y C03I N00N 107.7(3) . . ?
C040 C03J N00L 107.6(4) . . ?
C01T C03K C03E 107.3(3) . . ?
C01R C03L C03G 107.9(3) . . ?
C01Y C03M C02P 108.2(3) . . ?
C02J C03N C030 108.1(3) . . ?
C01Z C03O C03B 108.1(3) . . ?
C022 C03P C035 107.9(3) . . ?
C02L C03Q C033 107.6(3) . . ?
N00M C03R C03S 119.1(3) . . ?
N00M C03R C02X 118.8(3) . . ?
C03S C03R C02X 122.0(3) . . ?
C023 C03S C03R 113.0(3) . . ?
C023 C03S C02O 113.0(3) . . ?
C03R C03S C02O 133.6(3) . . ?
C02C C03T C02U 107.8(3) . . ?
C02A C03U C02Q 108.1(3) . . ?
C05V C03V C 105.4(5) . . ?
C05V C03V C4 116.2(4) . . ?
C C03V C4 113.7(4) . . ?
C026 C03W C02W 107.8(3) . . ?
C037 C03X C03F 107.4(3) . . ?
C03I C03Y C03Z 107.9(3) . . ?
C02Z C03Z C03Y 108.2(3) . . ?
C03J C040 C042 108.0(3) . . ?
C036 C042 C040 108.5(3) . . ?
C55B C54A C57B 126.9(15) . . ?
C55B C54A C53A 71.7(11) . . ?
C57B C54A C53A 147.2(12) . . ?
C55B C54A C55A 50.9(8) . . ?
C57B C54A C55A 77.2(12) . . ?
C53A C54A C55A 120.7(9) . . ?
C55B C54A C40A 155.5(13) . . ?
C57B C54A C40A 35.8(8) . . ?
C53A C54A C40A 115.8(9) . . ?
C55A C54A C40A 112.0(11) . . ?
C55B C54A C41B 119.8(14) . . ?
C57B C54A C41B 102.8(12) . . ?
C53A C54A C41B 49.2(8) . . ?
C55A C54A C41B 156.4(11) . . ?
C40A C54A C41B 67.6(8) . . ?
C51B C59A C55B 136.3(17) . . ?
C51B C59A C55A 153.2(15) . . ?
C55B C59A C55A 51.3(8) . . ?
C51B C59A C51A 66.7(9) . . ?
C55B C59A C51A 72.3(11) . . ?
C55A C59A C51A 121.9(13) . . ?
C51B C59A C58A 42.7(8) . . ?
C55B C59A C58A 157.2(16) . . ?
C55A C59A C58A 118.2(9) . . ?
C51A C59A C58A 108.6(8) . . ?
C51B C59A C59B 107.1(13) . . ?
C55B C59A C59B 103.2(11) . . ?
C55A C59A C59B 53.1(6) . . ?
C51A C59A C59B 154.4(15) . . ?
C58A C59A C59B 65.7(8) . . ?
C6B C5A C6A 72.4(10) . . ?
C6B C5A C8B 114.9(14) . . ?
C6A C5A C8B 42.8(7) . . ?
C6B C5A C4A 51.2(9) . . ?
C6A C5A C4A 121.1(11) . . ?
C8B C5A C4A 155.6(18) . . ?
C6B C5A C19A 154.4(14) . . ?
C6A C5A C19A 118.1(10) . . ?
C8B C5A C19A 77.1(9) . . ?
C4A C5A C19A 108.5(6) . . ?
C6B C5A C21B 127.0(13) . . ?
C6A C5A C21B 149.4(14) . . ?
C8B C5A C21B 111.0(13) . . ?
C4A C5A C21B 76.2(8) . . ?
C19A C5A C21B 34.1(6) . . ?
C53B C52A C51A 62.0(10) . . ?
C53B C52A C53A 158.1(12) . . ?
C51A C52A C53A 120.6(7) . . ?
C53B C52A C35A 60.4(10) . . ?
C51A C52A C35A 119.9(8) . . ?
C53A C52A C35A 107.0(8) . . ?
C53B C52A C40B 133.4(14) . . ?
C51A C52A C40B 150.1(10) . . ?
C53A C52A C40B 34.0(7) . . ?
C35A C52A C40B 74.2(10) . . ?
C53B C52A C55B 123.5(13) . . ?
C51A C52A C55B 63.0(7) . . ?
C53A C52A C55B 58.8(7) . . ?
C35A C52A C55B 152.6(8) . . ?
C40B C52A C55B 92.3(10) . . ?
C48B C57A C58A 148.3(12) . . ?
C48B C57A C50B 118.8(12) . . ?
C58A C57A C50B 37.4(7) . . ?
C48B C57A C46A 41.0(7) . . ?
C58A C57A C46A 117.6(9) . . ?
C50B C57A C46A 81.1(9) . . ?
C48B C57A C56A 68.3(8) . . ?
C58A C57A C56A 119.5(8) . . ?
C50B C57A C56A 147.4(12) . . ?
C46A C57A C56A 108.8(7) . . ?
C48B C57A C59B 116.2(11) . . ?
C58A C57A C59B 70.6(9) . . ?
C50B C57A C59B 106.2(13) . . ?
C46A C57A C59B 149.7(10) . . ?
C56A C57A C59B 50.4(7) . . ?
C9B C1A C2B 135.0(11) . . ?
C9B C1A C9A 69.2(8) . . ?
C2B C1A C9A 70.4(7) . . ?
C9B C1A C6A 39.4(7) . . ?
C2B C1A C6A 139.9(9) . . ?
C9A C1A C6A 102.7(8) . . ?
C9B C1A C 110.2(8) . . ?
C2B C1A C 104.8(9) . . ?
C9A C1A C 116.3(6) . . ?
C6A C1A C 113.0(7) . . ?
C9B C1A C2A 144.0(9) . . ?
C2B C1A C2A 46.7(7) . . ?
C9A C1A C2A 113.4(6) . . ?
C6A C1A C2A 111.2(6) . . ?
C C1A C2A 100.6(7) . . ?
C9B C1A C6B 94.4(9) . . ?
C2B C1A C6B 99.6(9) . . ?
C9A C1A C6B 134.0(8) . . ?
C6A C1A C6B 55.8(6) . . ?
C C1A C6B 109.7(8) . . ?
C2A C1A C6B 56.8(6) . . ?
C11B C10A C9A 56.7(7) . . ?
C11B C10A C13B 134.5(12) . . ?
C9A C10A C13B 149.4(9) . . ?
C11B C10A C26A 65.3(8) . . ?
C9A C10A C26A 120.0(5) . . ?
C13B C10A C26A 71.9(9) . . ?
C11B C10A C11A 159.8(10) . . ?
C9A C10A C11A 120.0(6) . . ?
C13B C10A C11A 37.3(8) . . ?
C26A C10A C11A 108.9(5) . . ?
C11B C10A C2B 117.8(10) . . ?
C9A C10A C2B 61.5(6) . . ?
C13B C10A C2B 97.4(10) . . ?
C26A C10A C2B 159.8(8) . . ?
C11A C10A C2B 60.7(6) . . ?
C11B C10A C30B 98.9(12) . . ?
C9A C10A C30B 146.5(11) . . ?
C13B C10A C30B 37.1(12) . . ?
C26A C10A C30B 34.9(9) . . ?
C11A C10A C30B 74.2(10) . . ?
C2B C10A C30B 132.2(11) . . ?
C36B C34A C33A 51.5(10) . . ?
C36B C34A C35A 158.0(11) . . ?
C33A C34A C35A 123.1(9) . . ?
C36B C34A C16A 60.5(10) . . ?
C33A C34A C16A 110.3(8) . . ?
C35A C34A C16A 113.6(9) . . ?
C36B C34A C38B 129.2(14) . . ?
C33A C34A C38B 156.8(10) . . ?
C35A C34A C38B 45.3(7) . . ?
C16A C34A C38B 69.9(9) . . ?
C36B C34A C53B 124.0(14) . . ?
C33A C34A C53B 74.3(9) . . ?
C35A C34A C53B 50.0(7) . . ?
C16A C34A C53B 151.3(8) . . ?
C38B C34A C53B 94.7(9) . . ?
C51B C50A C35B 132.7(15) . . ?
C51B C50A C49A 46.3(7) . . ?
C35B C50A C49A 90.5(13) . . ?
C51B C50A C33A 154.7(12) . . ?
C35B C50A C33A 32.3(9) . . ?
C49A C50A C33A 122.1(10) . . ?
C51B C50A C51A 65.1(8) . . ?
C35B C50A C51A 141.8(12) . . ?
C49A C50A C51A 110.7(9) . . ?
C33A C50A C51A 115.1(8) . . ?
C51B C50A C53B 108.6(10) . . ?
C35B C50A C53B 101.3(12) . . ?
C49A C50A C53B 148.2(10) . . ?
C33A C50A C53B 70.7(8) . . ?
C51A C50A C53B 45.1(6) . . ?
C51B C50A C34B 101.7(11) . . ?
C35B C50A C34B 32.3(11) . . ?
C49A C50A C34B 58.2(8) . . ?
C33A C50A C34B 64.1(8) . . ?
C51A C50A C34B 148.1(9) . . ?
C53B C50A C34B 127.8(9) . . ?
C59B C04G C56A 62.8(10) . . ?
C59B C04G C55A 63.6(8) . . ?
C56A C04G C55A 124.4(9) . . ?
C59B C04G C41A 156.6(11) . . ?
C56A C04G C41A 118.3(8) . . ?
C55A C04G C41A 105.2(8) . . ?
C59B C04G C57B 132.1(13) . . ?
C56A C04G C57B 147.1(10) . . ?
C55A C04G C57B 71.2(10) . . ?
C41A C04G C57B 34.5(8) . . ?
C59B C04G C46B 122.1(13) . . ?
C56A C04G C46B 61.5(8) . . ?
C55A C04G C46B 151.3(9) . . ?
C41A C04G C46B 57.7(8) . . ?
C57B C04G C46B 91.2(11) . . ?
C066 C04H C0DA 122.2(8) . . ?
C46B C42A C41A 73.1(12) . . ?
C46B C42A C44B 122.0(15) . . ?
C41A C42A C44B 50.8(9) . . ?
C46B C42A C27B 113.1(15) . . ?
C41A C42A C27B 152.4(13) . . ?
C44B C42A C27B 111.2(15) . . ?
C46B C42A C43A 48.2(11) . . ?
C41A C42A C43A 119.7(13) . . ?
C44B C42A C43A 154.6(14) . . ?
C27B C42A C43A 66.0(8) . . ?
C46B C42A C23A 149.6(14) . . ?
C41A C42A C23A 118.6(12) . . ?
C44B C42A C23A 69.1(12) . . ?
C27B C42A C23A 43.4(7) . . ?
C43A C42A C23A 108.4(8) . . ?
C46B C42A C58B 42.3(12) . . ?
C41A C42A C58B 31.0(8) . . ?
C44B C42A C58B 80.1(12) . . ?
C27B C42A C58B 143.6(13) . . ?
C43A C42A C58B 88.8(11) . . ?
C23A C42A C58B 140.4(13) . . ?
C38B C36A C35A 55.7(10) . . ?
C38B C36A C18A 70.2(12) . . ?
C35A C36A C18A 122.5(9) . . ?
C38B C36A C37A 159.9(12) . . ?
C35A C36A C37A 113.7(11) . . ?
C18A C36A C37A 110.7(8) . . ?
C38B C36A C40B 136.6(16) . . ?
C35A C36A C40B 81.8(12) . . ?
C18A C36A C40B 141.5(11) . . ?
C37A C36A C40B 33.4(7) . . ?
C38B C36A C22B 113.2(14) . . ?
C35A C36A C22B 156.0(9) . . ?
C18A C36A C22B 43.2(7) . . ?
C37A C36A C22B 69.0(8) . . ?
C40B C36A C22B 102.2(11) . . ?
C45A C27A C29B 77.6(11) . . ?
C45A C27A C31B 44.2(7) . . ?
C29B C27A C31B 119.0(13) . . ?
C45A C27A C28A 121.0(9) . . ?
C29B C27A C28A 145.8(10) . . ?
C31B C27A C28A 77.4(9) . . ?
C45A C27A C13B 150.6(12) . . ?
C29B C27A C13B 111.7(12) . . ?
C31B C27A C13B 113.0(12) . . ?
C28A C27A C13B 38.0(8) . . ?
C45A C27A C26A 119.8(9) . . ?
C29B C27A C26A 43.1(9) . . ?
C31B C27A C26A 152.1(11) . . ?
C28A C27A C26A 108.3(5) . . ?
C13B C27A C26A 70.5(9) . . ?
C40B C53A C54B 87(2) . . ?
C40B C53A C41B 79.9(15) . . ?
C54B C53A C41B 158.6(16) . . ?
C40B C53A C54A 153.4(15) . . ?
C54B C53A C54A 111.7(14) . . ?
C41B C53A C54A 76.4(9) . . ?
C40B C53A C37A 32.4(13) . . ?
C54B C53A C37A 115.6(14) . . ?
C41B C53A C37A 48.1(8) . . ?
C54A C53A C37A 121.8(7) . . ?
C40B C53A C52A 79.6(14) . . ?
C54B C53A C52A 7.6(15) . . ?
C41B C53A C52A 151.9(10) . . ?
C54A C53A C52A 117.6(7) . . ?
C37A C53A C52A 108.0(7) . . ?
C40B C53A C56B 145.0(19) . . ?
C54B C53A C56B 122.3(19) . . ?
C41B C53A C56B 66.2(14) . . ?
C54A C53A C56B 10.7(15) . . ?
C37A C53A C56B 112.7(12) . . ?
C52A C53A C56B 128.1(14) . . ?
C40B C53A C55B 146.8(15) . . ?
C54B C53A C55B 62.1(14) . . ?
C41B C53A C55B 125.3(11) . . ?
C54A C53A C55B 50.1(7) . . ?
C37A C53A C55B 155.3(7) . . ?
C52A C53A C55B 68.8(7) . . ?
C56B C53A C55B 60.7(13) . . ?
C17B C15A C14A 43.7(11) . . ?
C17B C15A C32A 82.6(15) . . ?
C14A C15A C32A 124.9(12) . . ?
C17B C15A C36B 131.8(18) . . ?
C14A C15A C36B 155.7(11) . . ?
C32A C15A C36B 52.1(8) . . ?
C17B C15A C16A 150.3(14) . . ?
C14A C15A C16A 115.4(11) . . ?
C32A C15A C16A 106.7(8) . . ?
C36B C15A C16A 55.5(8) . . ?
C17B C15A C19B 117.0(16) . . ?
C14A C15A C19B 75.1(11) . . ?
C32A C15A C19B 143.4(10) . . ?
C36B C15A C19B 96.3(12) . . ?
C16A C15A C19B 41.4(9) . . ?
C17B C15A C16B 28.8(12) . . ?
C14A C15A C16B 71.7(9) . . ?
C32A C15A C16B 53.9(8) . . ?
C36B C15A C16B 103.8(12) . . ?
C16A C15A C16B 146.7(9) . . ?
C19B C15A C16B 138.6(11) . . ?
C29B C25A C27B 135.0(16) . . ?
C29B C25A C26A 46.0(8) . . ?
C27B C25A C26A 152.4(11) . . ?
C29B C25A C24A 151.9(12) . . ?
C27B C25A C24A 41.2(8) . . ?
C26A C25A C24A 121.2(7) . . ?
C29B C25A C43A 70.6(11) . . ?
C27B C25A C43A 68.4(9) . . ?
C26A C25A C43A 115.4(9) . . ?
C24A C25A C43A 108.2(9) . . ?
C29B C25A C11B 98.8(10) . . ?
C27B C25A C11B 108.6(12) . . ?
C26A C25A C11B 54.2(6) . . ?
C24A C25A C11B 68.6(7) . . ?
C43A C25A C11B 151.8(10) . . ?
C43B C39A C42B 154(3) . . ?
C43B C39A C40A 90.2(18) . . ?
C42B C39A C40A 114.4(18) . . ?
C43B C39A C22A 32.6(17) . . ?
C42B C39A C22A 121.1(18) . . ?
C40A C39A C22A 118.0(8) . . ?
C43B C39A C38A 140.8(18) . . ?
C42B C39A C38A 14.8(16) . . ?
C40A C39A C38A 120.9(7) . . ?
C22A C39A C38A 108.3(6) . . ?
C43B C39A C44B 41.9(17) . . ?
C42B C39A C44B 158.8(19) . . ?
C40A C39A C44B 48.4(7) . . ?
C22A C39A C44B 70.6(8) . . ?
C38A C39A C44B 153.7(7) . . ?
C43B C39A C41B 157.9(19) . . ?
C42B C39A C41B 43.9(17) . . ?
C40A C39A C41B 70.5(8) . . ?
C22A C39A C41B 152.6(8) . . ?
C38A C39A C41B 52.2(8) . . ?
C44B C39A C41B 117.3(10) . . ?
C6B C3A C4A 55.1(10) . . ?
C6B C3A C4B 141.7(13) . . ?
C4A C3A C4B 146.8(11) . . ?
C6B C3A C14A 158.3(10) . . ?
C4A C3A C14A 117.8(7) . . ?
C4B C3A C14A 33.2(9) . . ?
C6B C3A C2A 72.2(7) . . ?
C4A C3A C2A 127.0(10) . . ?
C4B C3A C2A 75.5(11) . . ?
C14A C3A C2A 108.7(10) . . ?
C6B C3A C19B 107.9(13) . . ?
C4A C3A C19B 53.6(8) . . ?
C4B C3A C19B 97.9(13) . . ?
C14A C3A C19B 65.3(8) . . ?
C2A C3A C19B 164.7(9) . . ?
C33B C48A C34B 147(4) . . ?
C33B C48A C31A 142(3) . . ?
C34B C48A C31A 38.1(12) . . ?
C33B C48A C47A 36(3) . . ?
C34B C48A C47A 145.5(14) . . ?
C31A C48A C47A 113.6(10) . . ?
C33B C48A C49A 78(3) . . ?
C34B C48A C49A 83.7(15) . . ?
C31A C48A C49A 120.9(10) . . ?
C47A C48A C49A 113.5(9) . . ?
C33B C48A C50B 38(3) . . ?
C34B C48A C50B 119.8(15) . . ?
C31A C48A C50B 149.3(9) . . ?
C47A C48A C50B 74.3(7) . . ?
C49A C48A C50B 39.6(6) . . ?
C33B C48A C32B 51(3) . . ?
C34B C48A C32B 129.5(16) . . ?
C31A C48A C32B 96.5(10) . . ?
C47A C48A C32B 17.2(8) . . ?
C49A C48A C32B 126.0(8) . . ?
C50B C48A C32B 88.5(9) . . ?
C03V C C1A 103.3(5) . . ?
C03V C C1B 97.0(9) . . ?
C1A C C1B 13.7(8) . . ?
C03V C C064 110.5(5) . . ?
C1A C C064 107.2(6) . . ?
C1B C C064 120.9(8) . . ?
C19B C17A C16A 51.8(13) . . ?
C19B C17A C4A 69.3(13) . . ?
C16A C17A C4A 119.0(8) . . ?
C19B C17A C18A 160.4(12) . . ?
C16A C17A C18A 121.3(8) . . ?
C4A C17A C18A 108.4(6) . . ?
C19B C17A C21B 141.4(14) . . ?
C16A C17A C21B 153.3(10) . . ?
C4A C17A C21B 73.5(7) . . ?
C18A C17A C21B 36.3(6) . . ?
C19B C17A C38B 118.5(16) . . ?
C16A C17A C38B 67.4(8) . . ?
C4A C17A C38B 154.1(8) . . ?
C18A C17A C38B 55.3(7) . . ?
C21B C17A C38B 91.4(9) . . ?
C13B C11A C12B 80.9(19) . . ?
C13B C11A C14B 89.9(16) . . ?
C12B C11A C14B 155.7(15) . . ?
C13B C11A C3B 146.7(19) . . ?
C12B C11A C3B 110.7(17) . . ?
C14B C11A C3B 66.6(14) . . ?
C13B C11A C12A 152.4(13) . . ?
C12B C11A C12A 108.7(12) . . ?
C14B C11A C12A 70.7(9) . . ?
C3B C11A C12A 5.7(17) . . ?
C13B C11A C10A 68.6(14) . . ?
C12B C11A C10A 12.4(12) . . ?
C14B C11A C10A 148.1(9) . . ?
C3B C11A C10A 120.0(14) . . ?
C12A C11A C10A 118.8(6) . . ?
C13B C11A C28A 38.7(14) . . ?
C12B C11A C28A 118.8(12) . . ?
C14B C11A C28A 52.1(9) . . ?
C3B C11A C28A 117.0(12) . . ?
C12A C11A C28A 121.8(6) . . ?
C10A C11A C28A 106.4(5) . . ?
C13B C11A C2B 137.6(15) . . ?
C12B C11A C2B 58.8(12) . . ?
C14B C11A C2B 121.2(11) . . ?
C3B C11A C2B 54.9(12) . . ?
C12A C11A C2B 51.5(6) . . ?
C10A C11A C2B 70.4(6) . . ?
C28A C11A C2B 161.0(6) . . ?
C15B C30A C16B 156(3) . . ?
C15B C30A C13A 104(3) . . ?
C16B C30A C13A 80.7(15) . . ?
C15B C30A C31A 119(3) . . ?
C16B C30A C31A 46.4(14) . . ?
C13A C30A C31A 124.9(10) . . ?
C15B C30A C29A 12(2) . . ?
C16B C30A C29A 150.7(16) . . ?
C13A C30A C29A 116.4(8) . . ?
C31A C30A C29A 107.8(8) . . ?
C15B C30A C14B 43(2) . . ?
C16B C30A C14B 137.8(16) . . ?
C13A C30A C14B 61.6(7) . . ?
C31A C30A C14B 149.6(8) . . ?
C29A C30A C14B 55.0(8) . . ?
C15B C30A C17B 142(3) . . ?
C16B C30A C17B 32.8(14) . . ?
C13A C30A C17B 48.2(7) . . ?
C31A C30A C17B 77.2(9) . . ?
C29A C30A C17B 150.8(8) . . ?
C14B C30A C17B 106.1(10) . . ?
C15B C30A C32B 38(3) . . ?
C16B C30A C32B 124.7(16) . . ?
C13A C30A C32B 135.0(9) . . ?
C31A C30A C32B 81.1(8) . . ?
C29A C30A C32B 26.8(6) . . ?
C14B C30A C32B 78.1(9) . . ?
C17B C30A C32B 141.1(9) . . ?
C24B C21A C25B 168(3) . . ?
C24B C21A C22A 138(3) . . ?
C25B C21A C22A 31.2(12) . . ?
C24B C21A C20A 28(2) . . ?
C25B C21A C20A 141.7(14) . . ?
C22A C21A C20A 110.7(6) . . ?
C24B C21A C7A 87(2) . . ?
C25B C21A C7A 97.6(15) . . ?
C22A C21A C7A 122.9(8) . . ?
C20A C21A C7A 111.5(7) . . ?
C24B C21A C8B 46(2) . . ?
C25B C21A C8B 137.9(16) . . ?
C22A C21A C8B 153.4(8) . . ?
C20A C21A C8B 72.1(7) . . ?
C7A C21A C8B 41.0(6) . . ?
C24B C21A C23B 41(2) . . ?
C25B C21A C23B 129.9(15) . . ?
C22A C21A C23B 98.8(9) . . ?
C20A C21A C23B 14.0(7) . . ?
C7A C21A C23B 125.4(9) . . ?
C8B C21A C23B 86.0(9) . . ?
C24B C21A C26B 148(3) . . ?
C25B C21A C26B 32.7(12) . . ?
C22A C21A C26B 58.8(6) . . ?
C20A C21A C26B 151.0(7) . . ?
C7A C21A C26B 65.5(7) . . ?
C8B C21A C26B 105.2(8) . . ?
C23B C21A C26B 149.2(11) . . ?
C48B C45A C31B 90.9(14) . . ?
C48B C45A C27A 153.1(11) . . ?
C31B C45A C27A 73.3(10) . . ?
C48B C45A C47B 80.2(14) . . ?
C31B C45A C47B 152.0(13) . . ?
C27A C45A C47B 103.5(12) . . ?
C48B C45A C46A 43.5(9) . . ?
C31B C45A C46A 48.0(8) . . ?
C27A C45A C46A 119.9(8) . . ?
C47B C45A C46A 121.5(11) . . ?
C48B C45A C44A 64.2(10) . . ?
C31B C45A C44A 148.9(9) . . ?
C27A C45A C44A 120.8(8) . . ?
C47B C45A C44A 17.4(11) . . ?
C46A C45A C44A 107.1(6) . . ?
C48B C45A C29B 129.1(12) . . ?
C31B C45A C29B 121.9(11) . . ?
C27A C45A C29B 51.9(8) . . ?
C47B C45A C29B 52.1(12) . . ?
C46A C45A C29B 152.1(6) . . ?
C44A C45A C29B 69.5(7) . . ?
C48B C45A C30B 152.4(14) . . ?
C31B C45A C30B 78.7(13) . . ?
C27A C45A C30B 6.5(14) . . ?
C47B C45A C30B 97.0(15) . . ?
C46A C45A C30B 124.4(11) . . ?
C44A C45A C30B 114.3(12) . . ?
C29B C45A C30B 45.6(12) . . ?
C32B C47A C33B 129(4) . . ?
C32B C47A C46A 106(3) . . ?
C33B C47A C46A 109.2(14) . . ?
C32B C47A C48A 114(3) . . ?
C33B C47A C48A 18.2(12) . . ?
C46A C47A C48A 127.2(10) . . ?
C32B C47A C31B 62(3) . . ?
C33B C47A C31B 143.8(16) . . ?
C46A C47A C31B 44.2(7) . . ?
C48A C47A C31B 153.8(9) . . ?
C32B C47A C29A 12(3) . . ?
C33B C47A C29A 119.5(16) . . ?
C46A C47A C29A 117.7(9) . . ?
C48A C47A C29A 103.6(9) . . ?
C31B C47A C29A 74.0(8) . . ?
C32B C47A C50B 149(3) . . ?
C33B C47A C50B 41.9(11) . . ?
C46A C47A C50B 67.6(7) . . ?
C48A C47A C50B 60.1(7) . . ?
C31B C47A C50B 108.2(9) . . ?
C29A C47A C50B 148.5(8) . . ?
C32B C47A C15B 34(3) . . ?
C33B C47A C15B 96.1(16) . . ?
C46A C47A C15B 133.5(10) . . ?
C48A C47A C15B 80.4(10) . . ?
C31B C47A C15B 93.5(10) . . ?
C29A C47A C15B 23.4(7) . . ?
C50B C47A C15B 129.8(10) . . ?
C4B C14A C17B 111(2) . . ?
C4B C14A C5B 74.5(18) . . ?
C17B C14A C5B 156.2(17) . . ?
C4B C14A C15A 161.3(17) . . ?
C17B C14A C15A 57.1(12) . . ?
C5B C14A C15A 111.0(13) . . ?
C4B C14A C3A 61.4(14) . . ?
C17B C14A C3A 158.1(12) . . ?
C5B C14A C3A 13.2(11) . . ?
C15A C14A C3A 123.9(10) . . ?
C4B C14A C13A 50.1(14) . . ?
C17B C14A C13A 60.7(13) . . ?
C5B C14A C13A 121.2(11) . . ?
C15A C14A C13A 116.6(10) . . ?
C3A C14A C13A 109.2(7) . . ?
C4B C14A C18B 159.3(17) . . ?
C17B C14A C18B 69.3(15) . . ?
C5B C14A C18B 97.5(14) . . ?
C15A C14A C18B 13.5(13) . . ?
C3A C14A C18B 110.4(12) . . ?
C13A C14A C18B 126.7(11) . . ?
C4B C14A C19B 125.8(17) . . ?
C17B C14A C19B 114.1(15) . . ?
C5B C14A C19B 52.5(12) . . ?
C15A C14A C19B 58.9(10) . . ?
C3A C14A C19B 65.6(9) . . ?
C13A C14A C19B 154.1(7) . . ?
C18B C14A C19B 45.6(11) . . ?
C4B C14A C16B 96.5(17) . . ?
C17B C14A C16B 14.8(11) . . ?
C5B C14A C16B 150.4(13) . . ?
C15A C14A C16B 69.8(9) . . ?
C3A C14A C16B 146.3(8) . . ?
C13A C14A C16B 46.9(6) . . ?
C18B C14A C16B 81.1(10) . . ?
C19B C14A C16B 123.3(9) . . ?
C11B C9A C10B 73.2(10) . . ?
C11B C9A C10A 52.5(8) . . ?
C10B C9A C10A 123.6(8) . . ?
C11B C9A C12B 70.9(11) . . ?
C10B C9A C12B 139.8(12) . . ?
C10A C9A C12B 18.4(8) . . ?
C11B C9A C8A 69.4(8) . . ?
C10B C9A C8A 3.9(9) . . ?
C10A C9A C8A 119.7(6) . . ?
C12B C9A C8A 136.1(10) . . ?
C11B C9A C1A 170.4(8) . . ?
C10B C9A C1A 104.6(10) . . ?
C10A C9A C1A 126.2(6) . . ?
C12B C9A C1A 107.9(10) . . ?
C8A C9A C1A 108.1(7) . . ?
C11B C9A C9B 124.0(9) . . ?
C10B C9A C9B 51.6(9) . . ?
C10A C9A C9B 158.8(7) . . ?
C12B C9A C9B 151.1(12) . . ?
C8A C9A C9B 55.2(6) . . ?
C1A C9A C9B 52.9(6) . . ?
C11B C9A C2B 126.1(10) . . ?
C10B C9A C2B 151.1(13) . . ?
C10A C9A C2B 74.0(6) . . ?
C12B C9A C2B 55.5(10) . . ?
C8A C9A C2B 153.2(8) . . ?
C1A C9A C2B 52.5(6) . . ?
C9B C9A C2B 103.1(7) . . ?
C11B C9A C1B 163.2(11) . . ?
C10B C9A C1B 107.5(12) . . ?
C10A C9A C1B 120.0(9) . . ?
C12B C9A C1B 101.9(11) . . ?
C8A C9A C1B 110.9(10) . . ?
C1A C9A C1B 8.1(9) . . ?
C9B C9A C1B 56.3(9) . . ?
C2B C9A C1B 47.3(9) . . ?
C27B C23A C26B 81.7(11) . . ?
C27B C23A C45B 57.7(17) . . ?
C26B C23A C45B 136.3(18) . . ?
C27B C23A C22A 154.3(9) . . ?
C26B C23A C22A 80.1(9) . . ?
C45B C23A C22A 130.7(18) . . ?
C27B C23A C42A 67.7(10) . . ?
C26B C23A C42A 145.3(10) . . ?
C45B C23A C42A 10.0(19) . . ?
C22A C23A C42A 122.1(8) . . ?
C27B C23A C24A 40.2(8) . . ?
C26B C23A C24A 41.5(7) . . ?
C45B C23A C24A 96.4(17) . . ?
C22A C23A C24A 119.2(7) . . ?
C42A C23A C24A 106.3(8) . . ?
C27B C23A C25B 131.5(11) . . ?
C26B C23A C25B 51.2(10) . . ?
C45B C23A C25B 154(2) . . ?
C22A C23A C25B 29.4(7) . . ?
C42A C23A C25B 148.7(10) . . ?
C24A C23A C25B 91.8(9) . . ?
C27B C23A C44B 120.1(12) . . ?
C26B C23A C44B 144.3(11) . . ?
C45B C23A C44B 63.7(17) . . ?
C22A C23A C44B 69.0(8) . . ?
C42A C23A C44B 54.0(9) . . ?
C24A C23A C44B 149.6(8) . . ?
C25B C23A C44B 98.1(10) . . ?
C27B C23A C43B 153.0(11) . . ?
C26B C23A C43B 109.8(11) . . ?
C45B C23A C43B 101.8(17) . . ?
C22A C23A C43B 30.5(7) . . ?
C42A C23A C43B 92.5(10) . . ?
C24A C23A C43B 144.5(8) . . ?
C25B C23A C43B 59.9(10) . . ?
C44B C23A C43B 38.6(9) . . ?
C55B C55A C60B 68.7(14) . . ?
C55B C55A C59A 63.3(9) . . ?
C60B C55A C59A 6(2) . . ?
C55B C55A C59B 135.0(11) . . ?
C60B C55A C59B 69.3(11) . . ?
C59A C55A C59B 73.9(8) . . ?
C55B C55A C54A 57.8(10) . . ?
C60B C55A C54A 124.5(16) . . ?
C59A C55A C54A 118.7(10) . . ?
C59B C55A C54A 148.5(9) . . ?
C55B C55A C04G 156.9(9) . . ?
C60B C55A C04G 115.6(10) . . ?
C59A C55A C04G 119.6(8) . . ?
C59B C55A C04G 47.0(7) . . ?
C54A C55A C04G 108.6(8) . . ?
C55B C55A C56B 63.9(15) . . ?
C60B C55A C56B 130(2) . . ?
C59A C55A C56B 124.6(16) . . ?
C59B C55A C56B 144.8(14) . . ?
C54A C55A C56B 6.1(18) . . ?
C04G C55A C56B 103.0(13) . . ?
C55B C55A C57B 107.4(11) . . ?
C60B C55A C57B 156(2) . . ?
C59A C55A C57B 152.9(10) . . ?
C59B C55A C57B 104.2(10) . . ?
C54A C55A C57B 50.5(9) . . ?
C04G C55A C57B 58.7(9) . . ?
C56B C55A C57B 44.6(14) . . ?
C55B C55A C58B 148.0(13) . . ?
C60B C55A C58B 124.3(13) . . ?
C59A C55A C58B 127.7(9) . . ?
C59B C55A C58B 57.4(10) . . ?
C54A C55A C58B 97.3(11) . . ?
C04G C55A C58B 11.4(11) . . ?
C56B C55A C58B 91.6(15) . . ?
C57B C55A C58B 47.5(11) . . ?
C50B C58A C51B 99.8(12) . . ?
C50B C58A C49A 51.9(9) . . ?
C51B C58A C49A 48.4(9) . . ?
C50B C58A C57A 71.5(11) . . ?
C51B C58A C57A 158.4(11) . . ?
C49A C58A C57A 122.1(8) . . ?
C50B C58A C49B 73.2(10) . . ?
C51B C58A C49B 154.6(14) . . ?
C49A C58A C49B 122.7(8) . . ?
C57A C58A C49B 4.8(14) . . ?
C50B C58A C59A 151.6(14) . . ?
C51B C58A C59A 59.8(9) . . ?
C49A C58A C59A 107.1(9) . . ?
C57A C58A C59A 119.7(9) . . ?
C49B C58A C59A 116.1(10) . . ?
C50B C58A C60B 156(2) . . ?
C51B C58A C60B 68.4(9) . . ?
C49A C58A C60B 115.5(11) . . ?
C57A C58A C60B 111.7(11) . . ?
C49B C58A C60B 108.3(11) . . ?
C59A C58A C60B 8.7(9) . . ?
C50B C58A C59B 126.4(12) . . ?
C51B C58A C59B 120.4(9) . . ?
C49A C58A C59B 154.1(7) . . ?
C57A C58A C59B 58.0(7) . . ?
C49B C58A C59B 55.1(6) . . ?
C59A C58A C59B 62.5(7) . . ?
C60B C58A C59B 54.1(6) . . ?
C57B C40A C56B 75(2) . . ?
C57B C40A C44B 88.2(19) . . ?
C56B C40A C44B 157(2) . . ?
C57B C40A C39A 155.0(16) . . ?
C56B C40A C39A 118.5(19) . . ?
C44B C40A C39A 72.0(10) . . ?
C57B C40A C54A 69.8(17) . . ?
C56B C40A C54A 7(2) . . ?
C44B C40A C54A 150.2(12) . . ?
C39A C40A C54A 121.7(9) . . ?
C57B C40A C41A 36.2(16) . . ?
C56B C40A C41A 110.2(19) . . ?
C44B C40A C41A 52.0(10) . . ?
C39A C40A C41A 122.1(7) . . ?
C54A C40A C41A 103.9(8) . . ?
C57B C40A C43B 131.1(18) . . ?
C56B C40A C43B 145(2) . . ?
C44B C40A C43B 44.1(11) . . ?
C39A C40A C43B 28.0(7) . . ?
C54A C40A C43B 145.9(10) . . ?
C41A C40A C43B 95.4(9) . . ?
C57B C40A C41B 131.8(17) . . ?
C56B C40A C41B 59.0(19) . . ?
C44B C40A C41B 129.5(12) . . ?
C39A C40A C41B 59.8(7) . . ?
C54A C40A C41B 63.3(9) . . ?
C41A C40A C41B 154.1(6) . . ?
C43B C40A C41B 87.4(9) . . ?
C57B C40A C42B 158.5(15) . . ?
C56B C40A C42B 95.3(19) . . ?
C44B C40A C42B 94.6(12) . . ?
C39A C40A C42B 23.3(7) . . ?
C54A C40A C42B 99.0(11) . . ?
C41A C40A C42B 141.2(9) . . ?
C43B C40A C42B 51.1(10) . . ?
C41B C40A C42B 36.5(9) . . ?
C52B C51A C53B 61.2(13) . . ?
C52B C51A C52A 107.5(13) . . ?
C53B C51A C52A 47.3(8) . . ?
C52B C51A C59A 120.7(14) . . ?
C53B C51A C59A 156.9(11) . . ?
C52A C51A C59A 120.3(8) . . ?
C52B C51A C50A 17.8(13) . . ?
C53B C51A C50A 78.9(9) . . ?
C52A C51A C50A 124.3(7) . . ?
C59A C51A C50A 103.6(8) . . ?
C52B C51A C51B 69.4(13) . . ?
C53B C51A C51B 128.2(10) . . ?
C52A C51A C51B 155.0(7) . . ?
C59A C51A C51B 52.3(7) . . ?
C50A C51A C51B 51.7(7) . . ?
C52B C51A C54B 122.3(15) . . ?
C53B C51A C54B 63.6(10) . . ?
C52A C51A C54B 16.7(9) . . ?
C59A C51A C54B 103.9(12) . . ?
C50A C51A C54B 137.7(10) . . ?
C51B C51A C54B 147.0(12) . . ?
C52B C51A C60B 123.5(14) . . ?
C53B C51A C60B 154.8(18) . . ?
C52A C51A C60B 116.8(13) . . ?
C59A C51A C60B 3.5(16) . . ?
C50A C51A C60B 106.6(9) . . ?
C51B C51A C60B 55.5(9) . . ?
C54B C51A C60B 100.3(13) . . ?
C52B C51A C55B 155.8(15) . . ?
C53B C51A C55B 116.0(10) . . ?
C52A C51A C55B 69.9(7) . . ?
C59A C51A C55B 51.5(8) . . ?
C50A C51A C55B 148.3(9) . . ?
C51B C51A C55B 102.5(8) . . ?
C54B C51A C55B 53.2(10) . . ?
C60B C51A C55B 48.1(11) . . ?
C42B C38A C23B 128(3) . . ?
C42B C38A C37A 109(3) . . ?
C23B C38A C37A 122.1(15) . . ?
C42B C38A C41B 59(2) . . ?
C23B C38A C41B 171.0(15) . . ?
C37A C38A C41B 50.2(8) . . ?
C42B C38A C20A 122(2) . . ?
C23B C38A C20A 15.7(13) . . ?
C37A C38A C20A 124.4(8) . . ?
C41B C38A C20A 159.9(8) . . ?
C42B C38A C39A 18(2) . . ?
C23B C38A C39A 115.9(14) . . ?
C37A C38A C39A 118.0(8) . . ?
C41B C38A C39A 69.7(8) . . ?
C20A C38A C39A 106.2(6) . . ?
C42B C38A C22B 170(2) . . ?
C23B C38A C22B 49.9(13) . . ?
C37A C38A C22B 72.4(7) . . ?
C41B C38A C22B 121.8(10) . . ?
C20A C38A C22B 53.7(6) . . ?
C39A C38A C22B 152.7(7) . . ?
C37B C35A C38B 72.7(18) . . ?
C37B C35A C36A 124.8(18) . . ?
C38B C35A C36A 54.2(11) . . ?
C37B C35A C53B 75.4(18) . . ?
C38B C35A C53B 145.7(12) . . ?
C36A C35A C53B 147.5(9) . . ?
C37B C35A C34A 2(2) . . ?
C38B C35A C34A 73.3(11) . . ?
C36A C35A C34A 124.7(9) . . ?
C53B C35A C34A 74.4(9) . . ?
C37B C35A C52A 117.6(18) . . ?
C38B C35A C52A 156.6(11) . . ?
C36A C35A C52A 107.8(9) . . ?
C53B C35A C52A 43.3(7) . . ?
C34A C35A C52A 116.2(9) . . ?
C37B C35A C39B 129.8(18) . . ?
C38B C35A C39B 60.4(12) . . ?
C36A C35A C39B 6.6(14) . . ?
C53B C35A C39B 141.2(12) . . ?
C34A C35A C39B 129.6(11) . . ?
C52A C35A C39B 101.2(11) . . ?
C37B C35A C54B 127.8(19) . . ?
C38B C35A C54B 145.7(13) . . ?
C36A C35A C54B 95.3(11) . . ?
C53B C35A C54B 55.3(9) . . ?
C34A C35A C54B 126.2(10) . . ?
C52A C35A C54B 12.5(10) . . ?
C39B C35A C54B 88.7(12) . . ?
C37B C35A C40B 157.5(19) . . ?
C38B C35A C40B 106.8(12) . . ?
C36A C35A C40B 53.1(10) . . ?
C53B C35A C40B 97.9(10) . . ?
C34A C35A C40B 155.3(8) . . ?
C52A C35A C40B 55.1(8) . . ?
C39B C35A C40B 46.7(11) . . ?
C54B C35A C40B 42.8(10) . . ?
C57B C41A C58B 89(2) . . ?
C57B C41A C44B 87.9(18) . . ?
C58B C41A C44B 158.8(16) . . ?
C57B C41A C42A 151.1(16) . . ?
C58B C41A C42A 108.9(17) . . ?
C44B C41A C42A 66.9(10) . . ?
C57B C41A C40A 34.0(13) . . ?
C58B C41A C40A 120.8(17) . . ?
C44B C41A C40A 53.9(9) . . ?
C42A C41A C40A 119.2(9) . . ?
C57B C41A C04G 78.6(14) . . ?
C58B C41A C04G 10.8(17) . . ?
C44B C41A C04G 154.9(9) . . ?
C42A C41A C04G 118.6(10) . . ?
C40A C41A C04G 110.2(7) . . ?
C57B C41A C46B 144.3(16) . . ?
C58B C41A C46B 58.7(17) . . ?
C44B C41A C46B 115.7(12) . . ?
C42A C41A C46B 50.5(9) . . ?
C40A C41A C46B 153.8(7) . . ?
C04G C41A C46B 69.0(8) . . ?
C57B C41A C45B 147.4(17) . . ?
C58B C41A C45B 108.5(19) . . ?
C44B C41A C45B 65.5(14) . . ?
C42A C41A C45B 4.6(19) . . ?
C40A C41A C45B 116.6(11) . . ?
C04G C41A C45B 117.8(14) . . ?
C46B C41A C45B 50.9(14) . . ?
C13B C28A C14B 88.9(16) . . ?
C13B C28A C29A 152.4(13) . . ?
C14B C28A C29A 69.4(11) . . ?
C13B C28A C30B 56.6(17) . . ?
C14B C28A C30B 140.4(16) . . ?
C29A C28A C30B 133.9(14) . . ?
C13B C28A C27A 72.2(14) . . ?
C14B C28A C27A 150.1(10) . . ?
C29A C28A C27A 119.2(8) . . ?
C30B C28A C27A 15.7(13) . . ?
C13B C28A C11A 37.7(12) . . ?
C14B C28A C11A 52.1(10) . . ?
C29A C28A C11A 120.9(7) . . ?
C30B C28A C11A 93.9(12) . . ?
C27A C28A C11A 109.0(5) . . ?
C13B C28A C31B 120.0(14) . . ?
C14B C28A C31B 130.7(11) . . ?
C29A C28A C31B 68.4(8) . . ?
C30B C28A C31B 66.5(13) . . ?
C27A C28A C31B 51.1(7) . . ?
C11A C28A C31B 148.2(6) . . ?
C13B C28A C15B 128.4(14) . . ?
C14B C28A C15B 43.9(12) . . ?
C29A C28A C15B 26.0(7) . . ?
C30B C28A C15B 146.3(16) . . ?
C27A C28A C15B 136.4(10) . . ?
C11A C28A C15B 94.9(8) . . ?
C31B C28A C15B 89.9(10) . . ?
C13B C28A C32B 147.9(12) . . ?
C14B C28A C32B 92.9(12) . . ?
C29A C28A C32B 27.5(7) . . ?
C30B C28A C32B 106.4(14) . . ?
C27A C28A C32B 91.6(8) . . ?
C11A C28A C32B 138.9(9) . . ?
C31B C28A C32B 41.1(8) . . ?
C15B C28A C32B 49.5(10) . . ?
C35B C33A C36B 112(2) . . ?
C35B C33A C52B 84(2) . . ?
C36B C33A C52B 149.1(15) . . ?
C35B C33A C34A 153.5(18) . . ?
C36B C33A C34A 51.5(10) . . ?
C52B C33A C34A 102.7(13) . . ?
C35B C33A C32A 56.0(16) . . ?
C36B C33A C32A 56.8(10) . . ?
C52B C33A C32A 136.3(15) . . ?
C34A C33A C32A 107.0(8) . . ?
C35B C33A C50A 64.7(17) . . ?
C36B C33A C50A 158.2(10) . . ?
C52B C33A C50A 19.4(12) . . ?
C34A C33A C50A 121.3(9) . . ?
C32A C33A C50A 119.2(10) . . ?
C35B C33A C37B 152.7(19) . . ?
C36B C33A C37B 63.3(13) . . ?
C52B C33A C37B 90.2(14) . . ?
C34A C33A C37B 12.5(10) . . ?
C32A C33A C37B 117.1(11) . . ?
C50A C33A C37B 108.8(10) . . ?
C35B C33A C53B 123.8(18) . . ?
C36B C33A C53B 109.9(12) . . ?
C52B C33A C53B 43.1(12) . . ?
C34A C33A C53B 59.8(7) . . ?
C32A C33A C53B 151.1(7) . . ?
C50A C33A C53B 62.3(7) . . ?
C37B C33A C53B 47.3(9) . . ?
C35B C33A C34B 10.6(15) . . ?
C36B C33A C34B 102.1(12) . . ?
C52B C33A C34B 91.1(15) . . ?
C34A C33A C34B 143.7(9) . . ?
C32A C33A C34B 46.9(8) . . ?
C50A C33A C34B 72.7(9) . . ?
C37B C33A C34B 145.5(11) . . ?
C53B C33A C34B 128.0(8) . . ?
C47B C43A C46B 80.3(17) . . ?
C47B C43A C45B 141(2) . . ?
C46B C43A C45B 67.5(18) . . ?
C47B C43A C44A 15.3(14) . . ?
C46B C43A C44A 65.8(11) . . ?
C45B C43A C44A 130.3(19) . . ?
C47B C43A C42A 133.2(15) . . ?
C46B C43A C42A 56.8(10) . . ?
C45B C43A C42A 10.9(17) . . ?
C44A C43A C42A 121.0(9) . . ?
C47B C43A C25A 105.6(14) . . ?
C46B C43A C25A 155.5(11) . . ?
C45B C43A C25A 96.1(15) . . ?
C44A C43A C25A 120.9(8) . . ?
C42A C43A C25A 107.0(9) . . ?
C47B C43A C27B 146.7(15) . . ?
C46B C43A C27B 112.5(12) . . ?
C45B C43A C27B 45.9(15) . . ?
C44A C43A C27B 155.3(7) . . ?
C42A C43A C27B 56.9(8) . . ?
C25A C43A C27B 50.5(7) . . ?
C47B C43A C29B 57.9(15) . . ?
C46B C43A C29B 134.9(13) . . ?
C45B C43A C29B 137.8(16) . . ?
C44A C43A C29B 73.2(9) . . ?
C42A C43A C29B 146.4(9) . . ?
C25A C43A C29B 48.2(8) . . ?
C27B C43A C29B 96.9(10) . . ?
C47B C43A C28B 97.3(16) . . ?
C46B C43A C28B 151.7(15) . . ?
C45B C43A C28B 100.8(16) . . ?
C44A C43A C28B 112.4(11) . . ?
C42A C43A C28B 111.3(9) . . ?
C25A C43A C28B 9.3(14) . . ?
C27B C43A C28B 56.4(8) . . ?
C29B C43A C28B 40.8(10) . . ?
C29B C26A C28B 62.2(15) . . ?
C29B C26A C30B 73.0(18) . . ?
C28B C26A C30B 132(2) . . ?
C29B C26A C25A 61.1(12) . . ?
C28B C26A C25A 5(2) . . ?
C30B C26A C25A 132.6(17) . . ?
C29B C26A C11B 132.1(12) . . ?
C28B C26A C11B 71.4(11) . . ?
C30B C26A C11B 142.0(16) . . ?
C25A C26A C11B 73.7(7) . . ?
C29B C26A C10A 156.4(10) . . ?
C28B C26A C10A 115.4(9) . . ?
C30B C26A C10A 98.6(15) . . ?
C25A C26A C10A 118.7(6) . . ?
C11B C26A C10A 46.1(6) . . ?
C29B C26A C27A 62.8(12) . . ?
C28B C26A C27A 121.9(16) . . ?
C30B C26A C27A 10.3(17) . . ?
C25A C26A C27A 122.4(8) . . ?
C11B C26A C27A 147.8(7) . . ?
C10A C26A C27A 107.4(5) . . ?
C29B C26A C13B 115.3(14) . . ?
C28B C26A C13B 148.3(19) . . ?
C30B C26A C13B 45.6(15) . . ?
C25A C26A C13B 153.5(8) . . ?
C11B C26A C13B 97.8(9) . . ?
C10A C26A C13B 53.0(8) . . ?
C27A C26A C13B 54.6(8) . . ?
C29B C26A C12B 151.0(14) . . ?
C28B C26A C12B 122.3(13) . . ?
C30B C26A C12B 89.4(16) . . ?
C25A C26A C12B 126.1(8) . . ?
C11B C26A C12B 54.8(9) . . ?
C10A C26A C12B 9.2(9) . . ?
C27A C26A C12B 98.1(9) . . ?
C13B C26A C12B 43.8(11) . . ?
C9B C6A C8B 98.5(14) . . ?
C9B C6A C7A 46.0(9) . . ?
C8B C6A C7A 53.3(9) . . ?
C9B C6A C5A 163.3(12) . . ?
C8B C6A C5A 70.3(10) . . ?
C7A C6A C5A 119.9(8) . . ?
C9B C6A C7B 159.5(15) . . ?
C8B C6A C7B 64.8(13) . . ?
C7A C6A C7B 114.8(9) . . ?
C5A C6A C7B 5.5(11) . . ?
C9B C6A C1B 79.8(13) . . ?
C8B C6A C1B 171.4(13) . . ?
C7A C6A C1B 123.2(11) . . ?
C5A C6A C1B 109.4(10) . . ?
C7B C6A C1B 114.8(13) . . ?
C9B C6A C1A 64.8(9) . . ?
C8B C6A C1A 162.3(13) . . ?
C7A C6A C1A 109.2(8) . . ?
C5A C6A C1A 124.5(8) . . ?
C7B C6A C1A 129.9(11) . . ?
C1B C6A C1A 15.2(9) . . ?
C9B C6A C6B 135.5(11) . . ?
C8B C6A C6B 121.9(12) . . ?
C7A C6A C6B 155.7(7) . . ?
C5A C6A C6B 52.0(7) . . ?
C7B C6A C6B 57.5(10) . . ?
C1B C6A C6B 57.4(10) . . ?
C1A C6A C6B 72.5(6) . . ?
C27B C24A C26B 101.4(12) . . ?
C27B C24A C8A 159.8(12) . . ?
C26B C24A C8A 68.5(10) . . ?
C27B C24A C25A 64.9(12) . . ?
C26B C24A C25A 160.1(13) . . ?
C8A C24A C25A 119.3(6) . . ?
C27B C24A C23A 46.7(9) . . ?
C26B C24A C23A 54.7(9) . . ?
C8A C24A C23A 120.4(9) . . ?
C25A C24A C23A 110.0(8) . . ?
C27B C24A C28B 72.6(10) . . ?
C26B C24A C28B 157.1(18) . . ?
C8A C24A C28B 109.6(8) . . ?
C25A C24A C28B 10.5(11) . . ?
C23A C24A C28B 115.4(11) . . ?
C27B C24A C10B 159.7(16) . . ?
C26B C24A C10B 70.6(9) . . ?
C8A C24A C10B 2.3(8) . . ?
C25A C24A C10B 117.0(8) . . ?
C23A C24A C10B 122.0(10) . . ?
C28B C24A C10B 107.3(9) . . ?
C27B C24A C11B 126.5(12) . . ?
C26B C24A C11B 123.6(10) . . ?
C8A C24A C11B 56.3(6) . . ?
C25A C24A C11B 63.5(6) . . ?
C23A C24A C11B 154.3(6) . . ?
C28B C24A C11B 54.6(6) . . ?
C10B C24A C11B 54.0(5) . . ?
C2B C2A C1B 68.4(13) . . ?
C2B C2A C12A 61.9(10) . . ?
C1B C2A C12A 124.4(12) . . ?
C2B C2A C3A 143.5(9) . . ?
C1B C2A C3A 106.5(14) . . ?
C12A C2A C3A 99.3(8) . . ?
C2B C2A C3B 61.4(14) . . ?
C1B C2A C3B 121.6(17) . . ?
C12A C2A C3B 4.7(19) . . ?
C3A C2A C3B 97.2(12) . . ?
C2B C2A C05V 104.6(8) . . ?
C1B C2A C05V 103.5(12) . . ?
C12A C2A C05V 111.4(7) . . ?
C3A C2A C05V 111.6(6) . . ?
C3B C2A C05V 116.0(16) . . ?
C2B C2A C1A 58.4(9) . . ?
C1B C2A C1A 10.1(13) . . ?
C12A C2A C1A 116.1(7) . . ?
C3A C2A C1A 115.2(8) . . ?
C3B C2A C1A 113.7(15) . . ?
C05V C2A C1A 103.7(6) . . ?
C2B C2A C6B 121.3(10) . . ?
C1B C2A C6B 59.3(13) . . ?
C12A C2A C6B 133.7(7) . . ?
C3A C2A C6B 48.3(8) . . ?
C3B C2A C6B 129.4(14) . . ?
C05V C2A C6B 111.6(6) . . ?
C1A C2A C6B 68.8(7) . . ?
C2B C2A C4B 113.9(11) . . ?
C1B C2A C4B 141.5(13) . . ?
C12A C2A C4B 54.3(8) . . ?
C3A C2A C4B 47.2(8) . . ?
C3B C2A C4B 53.5(13) . . ?
C05V C2A C4B 112.2(7) . . ?
C1A C2A C4B 143.9(7) . . ?
C6B C2A C4B 93.4(8) . . ?
C2B C2A C5B 140.7(12) . . ?
C1B C2A C5B 107.9(14) . . ?
C12A C2A C5B 95.9(11) . . ?
C3A C2A C5B 3.5(14) . . ?
C3B C2A C5B 93.8(12) . . ?
C05V C2A C5B 114.0(10) . . ?
C1A C2A C5B 116.2(10) . . ?
C6B C2A C5B 50.4(11) . . ?
C4B C2A C5B 44.3(11) . . ?
C35B C32A C36B 80.5(13) . . ?
C35B C32A C34B 51.7(13) . . ?
C36B C32A C34B 129.7(12) . . ?
C35B C32A C15A 140.4(13) . . ?
C36B C32A C15A 64.8(10) . . ?
C34B C32A C15A 146.3(11) . . ?
C35B C32A C33A 32.5(10) . . ?
C36B C32A C33A 48.3(9) . . ?
C34B C32A C33A 84.0(11) . . ?
C15A C32A C33A 111.9(9) . . ?
C35B C32A C31A 85.4(13) . . ?
C36B C32A C31A 156.3(8) . . ?
C34B C32A C31A 33.7(9) . . ?
C15A C32A C31A 119.5(8) . . ?
C33A C32A C31A 117.2(8) . . ?
C35B C32A C18B 126.4(14) . . ?
C36B C32A C18B 50.2(12) . . ?
C34B C32A C18B 149.9(14) . . ?
C15A C32A C18B 14.9(11) . . ?
C33A C32A C18B 97.1(12) . . ?
C31A C32A C18B 131.2(13) . . ?
C35B C32A C16B 120.5(14) . . ?
C36B C32A C16B 141.8(10) . . ?
C34B C32A C16B 70.7(11) . . ?
C15A C32A C16B 82.1(9) . . ?
C33A C32A C16B 147.5(8) . . ?
C31A C32A C16B 38.0(7) . . ?
C18B C32A C16B 95.2(13) . . ?
C35B C32A C17B 148.6(11) . . ?
C36B C32A C17B 104.8(11) . . ?
C34B C32A C17B 109.1(11) . . ?
C15A C32A C17B 41.8(8) . . ?
C33A C32A C17B 145.0(9) . . ?
C31A C32A C17B 78.1(8) . . ?
C18B C32A C17B 55.3(12) . . ?
C16B C32A C17B 40.3(8) . . ?
C51B C49A C50B 86.6(12) . . ?
C51B C49A C50A 64.2(10) . . ?
C50B C49A C50A 145.5(11) . . ?
C51B C49A C58A 46.6(8) . . ?
C50B C49A C58A 40.4(8) . . ?
C50A C49A C58A 109.9(8) . . ?
C51B C49A C33B 140.0(12) . . ?
C50B C49A C33B 59.9(12) . . ?
C50A C49A C33B 134.6(12) . . ?
C58A C49A C33B 99.1(10) . . ?
C51B C49A C48A 155.4(9) . . ?
C50B C49A C48A 80.9(10) . . ?
C50A C49A C48A 118.1(9) . . ?
C58A C49A C48A 120.0(9) . . ?
C33B C49A C48A 21.1(7) . . ?
C51B C49A C34B 138.1(12) . . ?
C50B C49A C34B 115.7(12) . . ?
C50A C49A C34B 80.3(10) . . ?
C58A C49A C34B 146.9(8) . . ?
C33B C49A C34B 57.5(10) . . ?
C48A C49A C34B 38.1(8) . . ?
C51B C49A C52B 60.4(11) . . ?
C50B C49A C52B 139.6(11) . . ?
C50A C49A C52B 6.0(11) . . ?
C58A C49A C52B 105.2(9) . . ?
C33B C49A C52B 134.0(14) . . ?
C48A C49A C52B 119.4(11) . . ?
C34B C49A C52B 82.3(11) . . ?
C51B C49A C35B 105.5(12) . . ?
C50B C49A C35B 143.9(11) . . ?
C50A C49A C35B 43.9(8) . . ?
C58A C49A C35B 143.2(8) . . ?
C33B C49A C35B 92.7(11) . . ?
C48A C49A C35B 74.4(9) . . ?
C34B C49A C35B 36.4(9) . . ?
C52B C49A C35B 46.2(10) . . ?
C34B C31A C16B 146(2) . . ?
C34B C31A C48A 53.8(15) . . ?
C16B C31A C48A 143.0(14) . . ?
C34B C31A C30A 152.6(15) . . ?
C16B C31A C30A 36.0(10) . . ?
C48A C31A C30A 109.6(10) . . ?
C34B C31A C32A 69.8(15) . . ?
C16B C31A C32A 81.6(13) . . ?
C48A C31A C32A 122.3(9) . . ?
C30A C31A C32A 116.0(8) . . ?
C34B C31A C15B 137.9(18) . . ?
C16B C31A C15B 52.6(13) . . ?
C48A C31A C15B 92.0(11) . . ?
C30A C31A C15B 17.7(8) . . ?
C32A C31A C15B 128.3(9) . . ?
C34B C31A C33B 60.4(16) . . ?
C16B C31A C33B 132.6(14) . . ?
C48A C31A C33B 10.7(9) . . ?
C30A C31A C33B 100.2(9) . . ?
C32A C31A C33B 125.6(10) . . ?
C15B C31A C33B 82.6(11) . . ?
C34B C31A C35B 28.4(14) . . ?
C16B C31A C35B 120.1(14) . . ?
C48A C31A C35B 81.2(9) . . ?
C30A C31A C35B 146.1(8) . . ?
C32A C31A C35B 41.5(7) . . ?
C15B C31A C35B 144.5(10) . . ?
C33B C31A C35B 86.1(10) . . ?
C34B C31A C17B 122.0(17) . . ?
C16B C31A C17B 25.4(10) . . ?
C48A C31A C17B 150.0(7) . . ?
C30A C31A C17B 59.5(7) . . ?
C32A C31A C17B 56.7(7) . . ?
C15B C31A C17B 74.1(9) . . ?
C33B C31A C17B 140.7(9) . . ?
C35B C31A C17B 94.8(9) . . ?
C18B C16A C19B 75(2) . . ?
C18B C16A C36B 58.9(17) . . ?
C19B C16A C36B 132.1(15) . . ?
C18B C16A C17A 122.3(19) . . ?
C19B C16A C17A 50.3(12) . . ?
C36B C16A C17A 155.7(8) . . ?
C18B C16A C15A 1(2) . . ?
C19B C16A C15A 73.7(14) . . ?
C36B C16A C15A 59.8(9) . . ?
C17A C16A C15A 121.3(8) . . ?
C18B C16A C20B 138(2) . . ?
C19B C16A C20B 67.0(14) . . ?
C36B C16A C20B 148.0(14) . . ?
C17A C16A C20B 16.7(9) . . ?
C15A C16A C20B 137.1(11) . . ?
C18B C16A C34A 103.3(17) . . ?
C19B C16A C34A 159.5(10) . . ?
C36B C16A C34A 45.3(8) . . ?
C17A C16A C34A 121.8(7) . . ?
C15A C16A C34A 104.1(9) . . ?
C20B C16A C34A 106.7(12) . . ?
C18B C16A C37B 115.3(18) . . ?
C19B C16A C37B 151.5(14) . . ?
C36B C16A C37B 58.6(11) . . ?
C17A C16A C37B 108.0(10) . . ?
C15A C16A C37B 115.9(12) . . ?
C20B C16A C37B 92.8(12) . . ?
C34A C16A C37B 13.9(10) . . ?
C18B C16A C38B 151.3(16) . . ?
C19B C16A C38B 116.6(14) . . ?
C36B C16A C38B 101.0(10) . . ?
C17A C16A C38B 67.0(7) . . ?
C15A C16A C38B 151.3(8) . . ?
C20B C16A C38B 50.8(11) . . ?
C34A C16A C38B 56.4(7) . . ?
C37B C16A C38B 42.6(10) . . ?
C21B C18A C20B 87.1(17) . . ?
C21B C18A C22B 81.9(13) . . ?
C20B C18A C22B 165.9(15) . . ?
C21B C18A C39B 142.4(16) . . ?
C20B C18A C39B 127.1(18) . . ?
C22B C18A C39B 61.6(12) . . ?
C21B C18A C19A 34.9(10) . . ?
C20B C18A C19A 119.5(13) . . ?
C22B C18A C19A 48.0(7) . . ?
C39B C18A C19A 107.6(12) . . ?
C21B C18A C36A 158.4(12) . . ?
C20B C18A C36A 108.4(15) . . ?
C22B C18A C36A 80.2(9) . . ?
C39B C18A C36A 18.8(10) . . ?
C19A C18A C36A 124.6(7) . . ?
C21B C18A C17A 77.1(11) . . ?
C20B C18A C17A 12.3(13) . . ?
C22B C18A C17A 153.6(8) . . ?
C39B C18A C17A 133.9(11) . . ?
C19A C18A C17A 108.0(6) . . ?
C36A C18A C17A 115.9(7) . . ?
C21B C18A C38B 148.9(13) . . ?
C20B C18A C38B 63.5(15) . . ?
C22B C18A C38B 125.1(10) . . ?
C39B C18A C38B 63.8(11) . . ?
C19A C18A C38B 158.5(7) . . ?
C36A C18A C38B 45.1(7) . . ?
C17A C18A C38B 72.4(7) . . ?
C40B C37A C41B 92.5(18) . . ?
C40B C37A C39B 88(2) . . ?
C41B C37A C39B 167.0(17) . . ?
C40B C37A C38A 155.0(17) . . ?
C41B C37A C38A 65.5(11) . . ?
C39B C37A C38A 110.9(15) . . ?
C40B C37A C53A 34.0(14) . . ?
C41B C37A C53A 59.2(10) . . ?
C39B C37A C53A 118.6(14) . . ?
C38A C37A C53A 121.7(8) . . ?
C40B C37A C36A 73.4(16) . . ?
C41B C37A C36A 157.5(11) . . ?
C39B C37A C36A 15.2(13) . . ?
C38A C37A C36A 123.1(9) . . ?
C53A C37A C36A 103.5(8) . . ?
C40B C37A C42B 134.3(18) . . ?
C41B C37A C42B 43.1(12) . . ?
C39B C37A C42B 132.5(16) . . ?
C38A C37A C42B 22.4(8) . . ?
C53A C37A C42B 100.4(9) . . ?
C36A C37A C42B 142.8(10) . . ?
C40B C37A C22B 134.3(17) . . ?
C41B C37A C22B 127.6(13) . . ?
C39B C37A C22B 48.0(14) . . ?
C38A C37A C22B 63.1(8) . . ?
C53A C37A C22B 153.8(7) . . ?
C36A C37A C22B 61.4(8) . . ?
C42B C37A C22B 85.1(10) . . ?
C25B C22A C43B 175(2) . . ?
C25B C22A C23A 86.9(16) . . ?
C43B C22A C23A 96.9(15) . . ?
C25B C22A C21A 39.7(15) . . ?
C43B C22A C21A 135.0(15) . . ?
C23A C22A C21A 121.0(7) . . ?
C25B C22A C39A 147.5(18) . . ?
C43B C22A C39A 27.3(13) . . ?
C23A C22A C39A 120.1(7) . . ?
C21A C22A C39A 107.7(6) . . ?
C25B C22A C26B 42.1(15) . . ?
C43B C22A C26B 140.7(16) . . ?
C23A C22A C26B 45.6(6) . . ?
C21A C22A C26B 76.3(7) . . ?
C39A C22A C26B 153.4(7) . . ?
C25B C22A C44B 148.1(18) . . ?
C43B C22A C44B 34.7(14) . . ?
C23A C22A C44B 62.5(7) . . ?
C21A C22A C44B 153.3(7) . . ?
C39A C22A C44B 58.4(7) . . ?
C26B C22A C44B 106.1(9) . . ?
C25B C22A C24B 51.4(17) . . ?
C43B C22A C24B 123.3(16) . . ?
C23A C22A C24B 129.0(8) . . ?
C21A C22A C24B 11.8(7) . . ?
C39A C22A C24B 96.1(8) . . ?
C26B C22A C24B 85.9(8) . . ?
C44B C22A C24B 144.1(9) . . ?
C25B C22A C42B 126.5(18) . . ?
C43B C22A C42B 48.3(14) . . ?
C23A C22A C42B 137.4(8) . . ?
C21A C22A C42B 86.8(8) . . ?
C39A C22A C42B 21.0(7) . . ?
C26B C22A C42B 149.7(9) . . ?
C44B C22A C42B 78.4(9) . . ?
C24B C22A C42B 75.2(9) . . ?
C15B C29A C32B 118(2) . . ?
C15B C29A C28A 111.7(19) . . ?
C32B C29A C28A 113.7(15) . . ?
C15B C29A C14B 61.0(19) . . ?
C32B C29A C14B 148.1(16) . . ?
C28A C29A C14B 51.3(8) . . ?
C15B C29A C30A 8.7(18) . . ?
C32B C29A C30A 111.2(15) . . ?
C28A C29A C30A 120.3(8) . . ?
C14B C29A C30A 69.7(8) . . ?
C15B C29A C47A 112.7(19) . . ?
C32B C29A C47A 6.7(14) . . ?
C28A C29A C47A 120.3(8) . . ?
C14B C29A C47A 150.4(8) . . ?
C30A C29A C47A 105.3(8) . . ?
C15B C29A C31B 146.7(18) . . ?
C32B C29A C31B 45.7(13) . . ?
C28A C29A C31B 68.5(7) . . ?
C14B C29A C31B 115.1(9) . . ?
C30A C29A C31B 145.5(6) . . ?
C47A C29A C31B 52.4(6) . . ?
C59B C56A C04G 51.8(7) . . ?
C59B C56A C49B 67.1(10) . . ?
C04G C56A C49B 117.2(10) . . ?
C59B C56A C58B 70.4(13) . . ?
C04G C56A C58B 19.1(12) . . ?
C49B C56A C58B 133.2(15) . . ?
C59B C56A C44A 159.0(8) . . ?
C04G C56A C44A 126.2(8) . . ?
C49B C56A C44A 105.3(9) . . ?
C58B C56A C44A 107.4(14) . . ?
C59B C56A C57A 67.5(8) . . ?
C04G C56A C57A 118.4(8) . . ?
C49B C56A C57A 3.4(15) . . ?
C58B C56A C57A 135.0(14) . . ?
C44A C56A C57A 106.0(6) . . ?
C59B C56A C46B 122.7(11) . . ?
C04G C56A C46B 73.0(9) . . ?
C49B C56A C46B 148.8(12) . . ?
C58B C56A C46B 53.9(13) . . ?
C44A C56A C46B 54.0(9) . . ?
C57A C56A C46B 151.6(8) . . ?
C59B C56A C48B 119.1(10) . . ?
C04G C56A C48B 154.6(8) . . ?
C49B C56A C48B 53.7(9) . . ?
C58B C56A C48B 148.0(14) . . ?
C44A C56A C48B 51.9(7) . . ?
C57A C56A C48B 54.2(6) . . ?
C46B C56A C48B 103.6(10) . . ?
C59B C56A C47B 152.2(11) . . ?
C04G C56A C47B 120.3(10) . . ?
C49B C56A C47B 106.4(11) . . ?
C58B C56A C47B 102.0(14) . . ?
C44A C56A C47B 7.8(11) . . ?
C57A C56A C47B 107.7(10) . . ?
C46B C56A C47B 49.7(11) . . ?
C48B C56A C47B 54.3(10) . . ?
C5B C4A C6B 78.2(14) . . ?
C5B C4A C3A 16.0(14) . . ?
C6B C4A C3A 62.5(9) . . ?
C5B C4A C5A 133.0(15) . . ?
C6B C4A C5A 59.3(9) . . ?
C3A C4A C5A 119.3(9) . . ?
C5B C4A C17A 106.9(14) . . ?
C6B C4A C17A 159.5(9) . . ?
C3A C4A C17A 122.5(8) . . ?
C5A C4A C17A 107.2(6) . . ?
C5B C4A C19B 64.8(15) . . ?
C6B C4A C19B 141.5(12) . . ?
C3A C4A C19B 80.7(11) . . ?
C5A C4A C19B 146.1(10) . . ?
C17A C4A C19B 43.2(9) . . ?
C5B C4A C7B 136.8(18) . . ?
C6B C4A C7B 63.7(12) . . ?
C3A C4A C7B 123.5(15) . . ?
C5A C4A C7B 4.5(12) . . ?
C17A C4A C7B 102.8(9) . . ?
C19B C4A C7B 142.5(13) . . ?
C5B C4A C21B 152.8(16) . . ?
C6B C4A C21B 111.2(10) . . ?
C3A C4A C21B 157.5(8) . . ?
C5A C4A C21B 52.2(7) . . ?
C17A C4A C21B 55.7(6) . . ?
C19B C4A C21B 98.4(10) . . ?
C7B C4A C21B 47.7(10) . . ?
C5B C4A C20B 115.9(15) . . ?
C6B C4A C20B 153.5(13) . . ?
C3A C4A C20B 131.3(11) . . ?
C5A C4A C20B 98.0(10) . . ?
C17A C4A C20B 9.5(9) . . ?
C19B C4A C20B 52.6(10) . . ?
C7B C4A C20B 93.6(11) . . ?
C21B C4A C20B 46.3(9) . . ?
C4B C13A C17B 70.9(13) . . ?
C4B C13A C3B 72.6(17) . . ?
C17B C13A C3B 136.9(16) . . ?
C4B C13A C30A 148.0(12) . . ?
C17B C13A C30A 80.9(10) . . ?
C3B C13A C30A 124.1(16) . . ?
C4B C13A C12A 69.3(11) . . ?
C17B C13A C12A 136.6(12) . . ?
C3B C13A C12A 6(2) . . ?
C30A C13A C12A 129.6(9) . . ?
C4B C13A C16B 117.8(13) . . ?
C17B C13A C16B 47.8(11) . . ?
C3B C13A C16B 148.2(19) . . ?
C30A C13A C16B 33.3(7) . . ?
C12A C13A C16B 154.3(10) . . ?
C4B C13A C14A 32.8(9) . . ?
C17B C13A C14A 38.1(9) . . ?
C3B C13A C14A 103.3(13) . . ?
C30A C13A C14A 118.0(7) . . ?
C12A C13A C14A 101.0(8) . . ?
C16B C13A C14A 85.6(8) . . ?
C4B C13A C14B 127.8(12) . . ?
C17B C13A C14B 140.3(11) . . ?
C3B C13A C14B 57.6(15) . . ?
C30A C13A C14B 67.9(9) . . ?
C12A C13A C14B 62.4(10) . . ?
C16B C13A C14B 99.4(10) . . ?
C14A C13A C14B 148.5(8) . . ?
C4B C13A C15B 153.4(12) . . ?
C17B C13A C15B 99.5(12) . . ?
C3B C13A C15B 103.1(16) . . ?
C30A C13A C15B 21.2(8) . . ?
C12A C13A C15B 108.5(12) . . ?
C16B C13A C15B 53.3(10) . . ?
C14A C13A C15B 133.5(10) . . ?
C14B C13A C15B 46.8(11) . . ?
C03V C05V C2A 102.9(5) . . ?
C21B C19A C22B 92.1(16) . . ?
C21B C19A C7B 74.6(15) . . ?
C22B C19A C7B 161(2) . . ?
C21B C19A C20A 159.7(16) . . ?
C22B C19A C20A 71.2(10) . . ?
C7B C19A C20A 118.5(14) . . ?
C21B C19A C18A 38.9(12) . . ?
C22B C19A C18A 54.4(10) . . ?
C7B C19A C18A 109.7(12) . . ?
C20A C19A C18A 121.8(7) . . ?
C21B C19A C5A 73.3(12) . . ?
C22B C19A C5A 159.2(12) . . ?
C7B C19A C5A 2(3) . . ?
C20A C19A C5A 119.2(9) . . ?
C18A C19A C5A 107.9(6) . . ?
C21B C19A C23B 145.5(16) . . ?
C22B C19A C23B 53.9(11) . . ?
C7B C19A C23B 136.5(15) . . ?
C20A C19A C23B 18.1(7) . . ?
C18A C19A C23B 106.7(10) . . ?
C5A C19A C23B 137.2(10) . . ?
C21B C19A C8B 123.7(13) . . ?
C22B C19A C8B 139.5(12) . . ?
C7B C19A C8B 49.5(11) . . ?
C20A C19A C8B 69.5(7) . . ?
C18A C19A C8B 150.3(7) . . ?
C5A C19A C8B 50.6(7) . . ?
C23B C19A C8B 87.5(8) . . ?
C21B C19A C24B 159.7(14) . . ?
C22B C19A C24B 97.7(10) . . ?
C7B C19A C24B 91.3(11) . . ?
C20A C19A C24B 27.2(7) . . ?
C18A C19A C24B 142.2(9) . . ?
C5A C19A C24B 92.2(10) . . ?
C23B C19A C24B 45.2(9) . . ?
C8B C19A C24B 42.3(8) . . ?
C48B C46A C31B 87.1(14) . . ?
C48B C46A C47A 153.7(12) . . ?
C31B C46A C47A 76.0(10) . . ?
C48B C46A C57A 67.8(10) . . ?
C31B C46A C57A 148.9(11) . . ?
C47A C46A C57A 119.4(9) . . ?
C48B C46A C45A 40.8(9) . . ?
C31B C46A C45A 46.9(10) . . ?
C47A C46A C45A 121.8(8) . . ?
C57A C46A C45A 108.1(6) . . ?
C48B C46A C49B 64.8(11) . . ?
C31B C46A C49B 144.3(14) . . ?
C47A C46A C49B 120.2(10) . . ?
C57A C46A C49B 4.7(14) . . ?
C45A C46A C49B 104.6(9) . . ?
C48B C46A C32B 137.4(14) . . ?
C31B C46A C32B 56.5(11) . . ?
C47A C46A C32B 19.7(8) . . ?
C57A C46A C32B 134.1(10) . . ?
C45A C46A C32B 102.0(9) . . ?
C49B C46A C32B 133.6(12) . . ?
C48B C46A C50B 113.3(10) . . ?
C31B C46A C50B 138.8(11) . . ?
C47A C46A C50B 70.7(7) . . ?
C57A C46A C50B 48.9(6) . . ?
C45A C46A C50B 145.9(6) . . ?
C49B C46A C50B 50.4(7) . . ?
C32B C46A C50B 87.6(8) . . ?
C48B C46A C33B 144.1(12) . . ?
C31B C46A C33B 102.2(10) . . ?
C47A C46A C33B 30.0(7) . . ?
C57A C46A C33B 89.4(9) . . ?
C45A C46A C33B 141.2(9) . . ?
C49B C46A C33B 90.4(9) . . ?
C32B C46A C33B 47.0(9) . . ?
C50B C46A C33B 40.9(7) . . ?
C9B C7A C8B 93.3(14) . . ?
C9B C7A C6A 46.6(10) . . ?
C8B C7A C6A 47.4(9) . . ?
C9B C7A C21A 170.0(12) . . ?
C8B C7A C21A 80.2(10) . . ?
C6A C7A C21A 125.4(9) . . ?
C9B C7A C10B 62.3(12) . . ?
C8B C7A C10B 149.8(14) . . ?
C6A C7A C10B 104.4(9) . . ?
C21A C7A C10B 121.1(10) . . ?
C9B C7A C8A 68.1(11) . . ?
C8B C7A C8A 154.2(11) . . ?
C6A C7A C8A 109.9(7) . . ?
C21A C7A C8A 115.5(8) . . ?
C10B C7A C8A 5.8(8) . . ?
C9B C7A C24B 150.7(14) . . ?
C8B C7A C24B 58.6(11) . . ?
C6A C7A C24B 104.2(9) . . ?
C21A C7A C24B 21.6(7) . . ?
C10B C7A C24B 140.0(12) . . ?
C8A C7A C24B 134.7(11) . . ?
C9B C7A C25B 153.4(13) . . ?
C8B C7A C25B 110.4(11) . . ?
C6A C7A C25B 151.3(9) . . ?
C21A C7A C25B 30.5(7) . . ?
C10B C7A C25B 91.4(9) . . ?
C8A C7A C25B 85.6(9) . . ?
C24B C7A C25B 51.9(9) . . ?
C9B C7A C26B 114.8(12) . . ?
C8B C7A C26B 146.0(10) . . ?
C6A C7A C26B 149.8(7) . . ?
C21A C7A C26B 69.2(7) . . ?
C10B C7A C26B 52.5(8) . . ?
C8A C7A C26B 46.7(6) . . ?
C24B C7A C26B 89.9(9) . . ?
C25B C7A C26B 38.9(7) . . ?
C066 C064 C067 121.5(8) . . ?
C066 C064 C 115.0(7) . . ?
C067 C064 C 123.5(6) . . ?
C067 C065 C0DA 105.1(9) . . ?
C064 C066 C04H 113.6(8) . . ?
C064 C067 C065 129.2(9) . . ?
C38A C42B C39A 147(4) . . ?
C38A C42B C41B 91(3) . . ?
C39A C42B C41B 106(2) . . ?
C38A C42B C43B 136(3) . . ?
C39A C42B C43B 12.6(13) . . ?
C41B C42B C43B 117.6(18) . . ?
C38A C42B C23B 31.7(19) . . ?
C39A C42B C23B 122(2) . . ?
C41B C42B C23B 122(2) . . ?
C43B C42B C23B 109.9(18) . . ?
C38A C42B C37A 48(2) . . ?
C39A C42B C37A 141(2) . . ?
C41B C42B C37A 42.3(12) . . ?
C43B C42B C37A 146.6(16) . . ?
C23B C42B C37A 80.0(15) . . ?
C38A C42B C20A 40.6(18) . . ?
C39A C42B C20A 110(2) . . ?
C41B C42B C20A 127(2) . . ?
C43B C42B C20A 97.9(15) . . ?
C23B C42B C20A 13.5(8) . . ?
C37A C42B C20A 86.7(11) . . ?
C38A C42B C40A 143(3) . . ?
C39A C42B C40A 42.3(13) . . ?
C41B C42B C40A 64.0(12) . . ?
C43B C42B C40A 54.0(10) . . ?
C23B C42B C40A 151.6(16) . . ?
C37A C42B C40A 102.1(12) . . ?
C20A C42B C40A 138.8(13) . . ?
C38A C42B C22A 112(3) . . ?
C39A C42B C22A 37.9(13) . . ?
C41B C42B C22A 137.1(16) . . ?
C43B C42B C22A 25.4(9) . . ?
C23B C42B C22A 84.5(13) . . ?
C37A C42B C22A 143.5(13) . . ?
C20A C42B C22A 72.6(9) . . ?
C40A C42B C22A 77.2(10) . . ?
C20A C23B C38A 132(5) . . ?
C20A C23B C22B 94(3) . . ?
C38A C23B C22B 92.1(18) . . ?
C20A C23B C24B 26(2) . . ?
C38A C23B C24B 120(2) . . ?
C22B C23B C24B 120.2(10) . . ?
C20A C23B C42B 122(4) . . ?
C38A C23B C42B 19.9(12) . . ?
C22B C23B C42B 111.5(19) . . ?
C24B C23B C42B 104.6(19) . . ?
C20A C23B C19A 54(2) . . ?
C38A C23B C19A 126.0(19) . . ?
C22B C23B C19A 42.4(7) . . ?
C24B C23B C19A 79.7(9) . . ?
C42B C23B C19A 139.8(19) . . ?
C20A C23B C21A 41(2) . . ?
C38A C23B C21A 106.8(18) . . ?
C22B C23B C21A 132.1(11) . . ?
C24B C23B C21A 15.5(9) . . ?
C42B C23B C21A 89.8(15) . . ?
C19A C23B C21A 93.9(8) . . ?
C22A C25B C21A 109(2) . . ?
C22A C25B C26B 113(2) . . ?
C21A C25B C26B 123.0(18) . . ?
C22A C25B C24B 105(2) . . ?
C21A C25B C24B 4.6(12) . . ?
C26B C25B C24B 123.9(15) . . ?
C22A C25B C23A 63.7(15) . . ?
C21A C25B C23A 152.2(17) . . ?
C26B C25B C23A 50.6(9) . . ?
C24B C25B C23A 148.4(16) . . ?
C22A C25B C43B 2.9(12) . . ?
C21A C25B C43B 106.3(17) . . ?
C26B C25B C43B 115.0(14) . . ?
C24B C25B C43B 102.4(16) . . ?
C23A C25B C43B 65.7(10) . . ?
C22A C25B C7A 145.6(19) . . ?
C21A C25B C7A 51.9(11) . . ?
C26B C25B C7A 71.8(10) . . ?
C24B C25B C7A 53.8(9) . . ?
C23A C25B C7A 117.8(11) . . ?
C43B C25B C7A 143.1(13) . . ?
C39A C43B C22A 120(3) . . ?
C39A C43B C44B 111(2) . . ?
C22A C43B C44B 118(2) . . ?
C39A C43B C42B 13.9(14) . . ?
C22A C43B C42B 106(2) . . ?
C44B C43B C42B 123.6(16) . . ?
C39A C43B C40A 61.8(15) . . ?
C22A C43B C40A 153.9(17) . . ?
C44B C43B C40A 49.7(10) . . ?
C42B C43B C40A 74.9(11) . . ?
C39A C43B C25B 118(2) . . ?
C22A C43B C25B 2.5(10) . . ?
C44B C43B C25B 119.9(16) . . ?
C42B C43B C25B 104.0(16) . . ?
C40A C43B C25B 153.0(13) . . ?
C39A C43B C23A 154.4(19) . . ?
C22A C43B C23A 52.6(12) . . ?
C44B C43B C23A 66.3(11) . . ?
C42B C43B C23A 147.9(15) . . ?
C40A C43B C23A 112.9(12) . . ?
C25B C43B C23A 54.4(9) . . ?
C24A C27B C23A 93.1(13) . . ?
C24A C27B C45B 156(2) . . ?
C23A C27B C45B 70.6(16) . . ?
C24A C27B C25A 73.9(12) . . ?
C23A C27B C25A 159.5(12) . . ?
C45B C27B C25A 115.9(19) . . ?
C24A C27B C42A 155.3(15) . . ?
C23A C27B C42A 68.9(11) . . ?
C45B C27B C42A 2(2) . . ?
C25A C27B C42A 117.6(14) . . ?
C24A C27B C26B 40.0(8) . . ?
C23A C27B C26B 53.1(9) . . ?
C45B C27B C26B 121.4(17) . . ?
C25A C27B C26B 112.6(10) . . ?
C42A C27B C26B 119.9(12) . . ?
C24A C27B C28B 70.4(10) . . ?
C23A C27B C28B 151.5(14) . . ?
C45B C27B C28B 116(2) . . ?
C25A C27B C28B 8.1(16) . . ?
C42A C27B C28B 117.8(15) . . ?
C26B C27B C28B 107.5(7) . . ?
C24A C27B C43A 132.6(13) . . ?
C23A C27B C43A 124.6(13) . . ?
C45B C27B C43A 55.4(16) . . ?
C25A C27B C43A 61.1(8) . . ?
C42A C27B C43A 57.1(9) . . ?
C26B C27B C43A 155.8(10) . . ?
C28B C27B C43A 63.0(10) . . ?
C24A C26B C23A 83.8(11) . . ?
C24A C26B C25B 157.8(17) . . ?
C23A C26B C25B 78.3(11) . . ?
C24A C26B C8A 69.4(10) . . ?
C23A C26B C8A 147.2(13) . . ?
C25B C26B C8A 121.8(13) . . ?
C24A C26B C27B 38.6(8) . . ?
C23A C26B C27B 45.2(8) . . ?
C25B C26B C27B 122.4(12) . . ?
C8A C26B C27B 106.2(9) . . ?
C24A C26B C10B 71.4(9) . . ?
C23A C26B C10B 148.2(12) . . ?
C25B C26B C10B 119.6(13) . . ?
C8A C26B C10B 2.3(13) . . ?
C27B C26B C10B 108.0(7) . . ?
C24A C26B C22A 134.5(13) . . ?
C23A C26B C22A 54.3(7) . . ?
C25B C26B C22A 24.5(9) . . ?
C8A C26B C22A 138.7(12) . . ?
C27B C26B C22A 97.9(9) . . ?
C10B C26B C22A 136.6(13) . . ?
C24A C26B C7A 119.6(11) . . ?
C23A C26B C7A 139.2(12) . . ?
C25B C26B C7A 69.3(10) . . ?
C8A C26B C7A 52.6(7) . . ?
C27B C26B C7A 146.3(9) . . ?
C10B C26B C7A 50.4(8) . . ?
C22A C26B C7A 89.4(8) . . ?
C24A C26B C21A 153.6(13) . . ?
C23A C26B C21A 98.6(10) . . ?
C25B C26B C21A 24.3(8) . . ?
C8A C26B C21A 97.6(10) . . ?
C27B C26B C21A 137.5(10) . . ?
C10B C26B C21A 95.3(10) . . ?
C22A C26B C21A 44.9(5) . . ?
C7A C26B C21A 45.3(5) . . ?
C27B C45B C23A 51.7(13) . . ?
C27B C45B C43A 79(2) . . ?
C23A C45B C43A 129(3) . . ?
C27B C45B C46B 127(3) . . ?
C23A C45B C46B 161(4) . . ?
C43A C45B C46B 49.1(13) . . ?
C27B C45B C44B 119.3(19) . . ?
C23A C45B C44B 68.8(14) . . ?
C43A C45B C44B 150(3) . . ?
C46B C45B C44B 105(3) . . ?
C27B C45B C41A 156(3) . . ?
C23A C45B C41A 112(2) . . ?
C43A C45B C41A 110(2) . . ?
C46B C45B C41A 62.1(17) . . ?
C44B C45B C41A 43.7(12) . . ?
C43B C44B C41A 156.7(16) . . ?
C43B C44B C40A 86.2(14) . . ?
C41A C44B C40A 74.1(11) . . ?
C43B C44B C42A 131.5(16) . . ?
C41A C44B C42A 62.3(12) . . ?
C40A C44B C42A 134.1(18) . . ?
C43B C44B C57B 121.1(16) . . ?
C41A C44B C57B 38.2(10) . . ?
C40A C44B C57B 35.9(9) . . ?
C42A C44B C57B 99.5(16) . . ?
C43B C44B C39A 26.8(9) . . ?
C41A C44B C39A 131.3(13) . . ?
C40A C44B C39A 59.6(9) . . ?
C42A C44B C39A 150.0(12) . . ?
C57B C44B C39A 94.4(12) . . ?
C43B C44B C45B 121.9(17) . . ?
C41A C44B C45B 70.8(16) . . ?
C40A C44B C45B 140(2) . . ?
C42A C44B C45B 9.6(14) . . ?
C57B C44B C45B 107.0(19) . . ?
C39A C44B C45B 141.2(14) . . ?
C43B C44B C23A 75.1(12) . . ?
C41A C44B C23A 117.7(14) . . ?
C40A C44B C23A 151.6(13) . . ?
C42A C44B C23A 56.8(9) . . ?
C57B C44B C23A 148.2(14) . . ?
C39A C44B C23A 99.0(11) . . ?
C45B C44B C23A 47.6(11) . . ?
C43B C44B C22A 26.8(10) . . ?
C41A C44B C22A 155.3(12) . . ?
C40A C44B C22A 109.6(13) . . ?
C42A C44B C22A 104.7(11) . . ?
C57B C44B C22A 140.4(13) . . ?
C39A C44B C22A 51.0(7) . . ?
C45B C44B C22A 95.1(12) . . ?
C23A C44B C22A 48.5(6) . . ?
C19A C22B C18A 77.7(11) . . ?
C19A C22B C23B 83.8(10) . . ?
C18A C22B C23B 155.5(12) . . ?
C19A C22B C39B 140.8(18) . . ?
C18A C22B C39B 67.6(15) . . ?
C23B C22B C39B 122.5(19) . . ?
C19A C22B C21B 37.3(8) . . ?
C18A C22B C21B 41.2(8) . . ?
C23B C22B C21B 120.8(10) . . ?
C39B C22B C21B 108.4(17) . . ?
C19A C22B C20A 63.3(8) . . ?
C18A C22B C20A 135.6(10) . . ?
C23B C22B C20A 21.2(6) . . ?
C39B C22B C20A 135.6(18) . . ?
C21B C22B C20A 99.9(8) . . ?
C19A C22B C38A 115.1(12) . . ?
C18A C22B C38A 141.8(12) . . ?
C23B C22B C38A 38.0(11) . . ?
C39B C22B C38A 84.5(15) . . ?
C21B C22B C38A 145.2(9) . . ?
C20A C22B C38A 54.2(7) . . ?
C19A C22B C36A 129.9(14) . . ?
C18A C22B C36A 56.6(8) . . ?
C23B C22B C36A 131.2(15) . . ?
C39B C22B C36A 11.4(14) . . ?
C21B C22B C36A 97.1(12) . . ?
C20A C22B C36A 140.4(11) . . ?
C38A C22B C36A 93.4(8) . . ?
C19A C22B C37A 146.8(11) . . ?
C18A C22B C37A 104.7(10) . . ?
C23B C22B C37A 82.4(13) . . ?
C39B C22B C37A 40.1(13) . . ?
C21B C22B C37A 140.3(12) . . ?
C20A C22B C37A 97.6(10) . . ?
C38A C22B C37A 44.5(6) . . ?
C36A C22B C37A 49.6(6) . . ?
C21A C24B C20A 136(4) . . ?
C21A C24B C8B 116(3) . . ?
C20A C24B C8B 104.2(14) . . ?
C21A C24B C23B 124(3) . . ?
C20A C24B C23B 14.1(11) . . ?
C8B C24B C23B 118.1(10) . . ?
C21A C24B C25B 8(2) . . ?
C20A C24B C25B 130(2) . . ?
C8B C24B C25B 119.0(14) . . ?
C23B C24B C25B 118.1(18) . . ?
C21A C24B C7A 71(2) . . ?
C20A C24B C7A 144.0(18) . . ?
C8B C24B C7A 44.9(8) . . ?
C23B C24B C7A 156.8(15) . . ?
C25B C24B C7A 74.3(11) . . ?
C21A C24B C22A 30(2) . . ?
C20A C24B C22A 106.3(18) . . ?
C8B C24B C22A 137.1(14) . . ?
C23B C24B C22A 95.0(15) . . ?
C25B C24B C22A 23.4(8) . . ?
C7A C24B C22A 94.6(10) . . ?
C21A C24B C19A 160(4) . . ?
C20A C24B C19A 41.0(10) . . ?
C8B C24B C19A 63.3(7) . . ?
C23B C24B C19A 55.1(7) . . ?
C25B C24B C19A 153.7(19) . . ?
C7A C24B C19A 104.7(10) . . ?
C22A C24B C19A 136.9(14) . . ?
C37A C41B C42B 94.6(19) . . ?
C37A C41B C53A 72.7(10) . . ?
C42B C41B C53A 157.3(17) . . ?
C37A C41B C38A 64.4(12) . . ?
C42B C41B C38A 30.2(12) . . ?
C53A C41B C38A 133.1(14) . . ?
C37A C41B C40B 36.0(10) . . ?
C42B C41B C40B 130(2) . . ?
C53A C41B C40B 37.1(9) . . ?
C38A C41B C40B 99.6(15) . . ?
C37A C41B C56B 132.1(19) . . ?
C42B C41B C56B 121.9(19) . . ?
C53A C41B C56B 61.9(15) . . ?
C38A C41B C56B 144.7(16) . . ?
C40B C41B C56B 98.7(19) . . ?
C37A C41B C39A 120.3(15) . . ?
C42B C41B C39A 29.9(11) . . ?
C53A C41B C39A 145.4(11) . . ?
C38A C41B C39A 58.0(8) . . ?
C40B C41B C39A 148.8(14) . . ?
C56B C41B C39A 92.1(14) . . ?
C37A C41B C54A 124.0(14) . . ?
C42B C41B C54A 127.3(15) . . ?
C53A C41B C54A 54.4(9) . . ?
C38A C41B C54A 146.2(11) . . ?
C40B C41B C54A 90.9(14) . . ?
C56B C41B C54A 8.0(17) . . ?
C39A C41B C54A 97.9(10) . . ?
C37A C41B C40A 151.7(11) . . ?
C42B C41B C40A 79.6(13) . . ?
C53A C41B C40A 102.6(11) . . ?
C38A C41B C40A 106.3(10) . . ?
C40B C41B C40A 136.0(14) . . ?
C56B C41B C40A 42.6(12) . . ?
C39A C41B C40A 49.7(6) . . ?
C54A C41B C40A 49.1(7) . . ?
C37A C39B C22B 92(2) . . ?
C37A C39B C18A 137(2) . . ?
C22B C39B C18A 50.7(12) . . ?
C37A C39B C40B 36.9(11) . . ?
C22B C39B C40B 128(3) . . ?
C18A C39B C40B 154(2) . . ?
C37A C39B C38B 143(2) . . ?
C22B C39B C38B 111(2) . . ?
C18A C39B C38B 60.8(13) . . ?
C40B C39B C38B 110.2(15) . . ?
C37A C39B C35A 105.1(16) . . ?
C22B C39B C35A 145(2) . . ?
C18A C39B C35A 99.2(15) . . ?
C40B C39B C35A 70.0(11) . . ?
C38B C39B C35A 40.4(8) . . ?
C37A C40B C53A 114(2) . . ?
C37A C40B C54B 153(2) . . ?
C53A C40B C54B 50.9(16) . . ?
C37A C40B C39B 55.3(18) . . ?
C53A C40B C39B 156(2) . . ?
C54B C40B C39B 128.0(17) . . ?
C37A C40B C41B 51.6(14) . . ?
C53A C40B C41B 63.0(14) . . ?
C54B C40B C41B 112(2) . . ?
C39B C40B C41B 106(2) . . ?
C37A C40B C36A 73.1(17) . . ?
C53A C40B C36A 152.2(17) . . ?
C54B C40B C36A 110.5(14) . . ?
C39B C40B C36A 18.4(10) . . ?
C41B C40B C36A 122.2(18) . . ?
C37A C40B C52A 153.6(17) . . ?
C53A C40B C52A 66.4(15) . . ?
C54B C40B C52A 15.7(10) . . ?
C39B C40B C52A 113.3(14) . . ?
C41B C40B C52A 126.1(17) . . ?
C36A C40B C52A 95.3(11) . . ?
C37A C40B C35A 116.1(18) . . ?
C53A C40B C35A 115.5(18) . . ?
C54B C40B C35A 66.3(11) . . ?
C39B C40B C35A 63.3(11) . . ?
C41B C40B C35A 150.9(12) . . ?
C36A C40B C35A 45.0(7) . . ?
C52A C40B C35A 50.7(7) . . ?
C7A C9B C6A 87.4(14) . . ?
C7A C9B C10B 77.0(12) . . ?
C6A C9B C10B 148.1(18) . . ?
C7A C9B C1A 156.6(16) . . ?
C6A C9B C1A 75.8(10) . . ?
C10B C9B C1A 109.1(11) . . ?
C7A C9B C8A 73.0(11) . . ?
C6A C9B C8A 146.3(15) . . ?
C10B C9B C8A 4.0(9) . . ?
C1A C9B C8A 112.8(11) . . ?
C7A C9B C8B 46.7(10) . . ?
C6A C9B C8B 41.5(9) . . ?
C10B C9B C8B 121.3(13) . . ?
C1A C9B C8B 117.1(12) . . ?
C8A C9B C8B 117.4(11) . . ?
C7A C9B C1B 145.9(17) . . ?
C6A C9B C1B 63.9(12) . . ?
C10B C9B C1B 117.7(13) . . ?
C1A C9B C1B 12.1(10) . . ?
C8A C9B C1B 121.1(12) . . ?
C8B C9B C1B 105.0(14) . . ?
C7A C9B C9A 123.5(12) . . ?
C6A C9B C9A 123.8(12) . . ?
C10B C9B C9A 51.2(7) . . ?
C1A C9B C9A 57.9(7) . . ?
C8A C9B C9A 54.9(6) . . ?
C8B C9B C9A 146.8(11) . . ?
C1B C9B C9A 67.0(9) . . ?
C6A C8B C7A 79.3(12) . . ?
C6A C8B C24B 150.0(16) . . ?
C7A C8B C24B 76.5(11) . . ?
C6A C8B C7B 72.6(15) . . ?
C7A C8B C7B 145(2) . . ?
C24B C8B C7B 120.6(10) . . ?
C6A C8B C5A 66.9(11) . . ?
C7A C8B C5A 139.9(15) . . ?
C24B C8B C5A 125.3(10) . . ?
C7B C8B C5A 5.7(17) . . ?
C6A C8B C9B 40.0(8) . . ?
C7A C8B C9B 40.0(8) . . ?
C24B C8B C9B 116.1(12) . . ?
C7B C8B C9B 111.8(17) . . ?
C5A C8B C9B 106.1(12) . . ?
C6A C8B C21A 135.1(14) . . ?
C7A C8B C21A 58.8(9) . . ?
C24B C8B C21A 17.7(8) . . ?
C7B C8B C21A 135.2(11) . . ?
C5A C8B C21A 139.0(12) . . ?
C9B C8B C21A 98.5(10) . . ?
C6A C8B C19A 117.4(13) . . ?
C7A C8B C19A 142.0(12) . . ?
C24B C8B C19A 74.4(7) . . ?
C7B C8B C19A 47.0(8) . . ?
C5A C8B C19A 52.3(7) . . ?
C9B C8B C19A 149.4(11) . . ?
C21A C8B C19A 90.9(7) . . ?
C6A C8B C20A 151.4(13) . . ?
C7A C8B C20A 104.6(11) . . ?
C24B C8B C20A 30.2(7) . . ?
C7B C8B C20A 90.9(8) . . ?
C5A C8B C20A 96.0(10) . . ?
C9B C8B C20A 141.2(11) . . ?
C21A C8B C20A 47.3(5) . . ?
C19A C8B C20A 44.2(5) . . ?
C9A C10B C9B 77.2(11) . . ?
C9A C10B C7A 114.3(17) . . ?
C9B C10B C7A 40.7(8) . . ?
C9A C10B C11B 49.4(7) . . ?
C9B C10B C11B 125.7(14) . . ?
C7A C10B C11B 152(2) . . ?
C9A C10B C26B 151.8(17) . . ?
C9B C10B C26B 117.8(13) . . ?
C7A C10B C26B 77.1(10) . . ?
C11B C10B C26B 108.4(7) . . ?
C9A C10B C24A 119.2(11) . . ?
C9B C10B C24A 152.2(19) . . ?
C7A C10B C24A 113.4(12) . . ?
C11B C10B C24A 71.1(7) . . ?
C26B C10B C24A 38.0(6) . . ?
C19A C7B C21B 37.0(8) . . ?
C19A C7B C8B 83.5(10) . . ?
C21B C7B C8B 120.2(9) . . ?
C19A C7B C6A 123.8(19) . . ?
C21B C7B C6A 155(3) . . ?
C8B C7B C6A 42.6(10) . . ?
C19A C7B C6B 153(3) . . ?
C21B C7B C6B 123(2) . . ?
C8B C7B C6B 109(2) . . ?
C6A C7B C6B 66.7(15) . . ?
C19A C7B C4A 111.0(17) . . ?
C21B C7B C4A 76.1(13) . . ?
C8B C7B C4A 149(4) . . ?
C6A C7B C4A 112(2) . . ?
C6B C7B C4A 47.1(10) . . ?
C19A C21B C18A 106.2(18) . . ?
C19A C21B C7B 68.4(13) . . ?
C18A C21B C7B 155(3) . . ?
C19A C21B C22B 50.6(11) . . ?
C18A C21B C22B 56.9(11) . . ?
C7B C21B C22B 117.8(10) . . ?
C19A C21B C20B 151(2) . . ?
C18A C21B C20B 51.4(14) . . ?
C7B C21B C20B 122.6(18) . . ?
C22B C21B C20B 107.8(17) . . ?
C19A C21B C5A 72.6(12) . . ?
C18A C21B C5A 153.1(18) . . ?
C7B C21B C5A 4.6(15) . . ?
C22B C21B C5A 121.6(11) . . ?
C20B C21B C5A 118.0(14) . . ?
C19A C21B C17A 152.7(18) . . ?
C18A C21B C17A 66.6(11) . . ?
C7B C21B C17A 106.3(15) . . ?
C22B C21B C17A 121.5(13) . . ?
C20B C21B C17A 16.5(9) . . ?
C5A C21B C17A 101.6(11) . . ?
C19A C21B C4A 121.5(13) . . ?
C18A C21B C4A 115.6(14) . . ?
C7B C21B C4A 56.2(11) . . ?
C22B C21B C4A 152.9(12) . . ?
C20B C21B C4A 67.2(11) . . ?
C5A C21B C4A 51.6(6) . . ?
C17A C21B C4A 50.8(6) . . ?
C40A C57B C41A 110(2) . . ?
C40A C57B C56B 64.3(19) . . ?
C41A C57B C56B 164(2) . . ?
C40A C57B C54A 74.4(17) . . ?
C41A C57B C54A 159.7(18) . . ?
C56B C57B C54A 11.0(18) . . ?
C40A C57B C58B 153(2) . . ?
C41A C57B C58B 50.4(16) . . ?
C56B C57B C58B 129(2) . . ?
C54A C57B C58B 117.7(19) . . ?
C40A C57B C44B 55.9(14) . . ?
C41A C57B C44B 53.9(15) . . ?
C56B C57B C44B 118.4(18) . . ?
C54A C57B C44B 126.6(16) . . ?
C58B C57B C44B 102(2) . . ?
C40A C57B C04G 159.6(17) . . ?
C41A C57B C04G 66.9(14) . . ?
C56B C57B C04G 113(2) . . ?
C54A C57B C04G 102.0(14) . . ?
C58B C57B C04G 16.5(12) . . ?
C44B C57B C04G 117.5(16) . . ?
C40A C57B C55A 125(2) . . ?
C41A C57B C55A 116.4(18) . . ?
C56B C57B C55A 63.2(16) . . ?
C54A C57B C55A 52.3(9) . . ?
C58B C57B C55A 66.5(14) . . ?
C44B C57B C55A 152.7(12) . . ?
C04G C57B C55A 50.2(7) . . ?
C40A C56B C57B 40.3(13) . . ?
C40A C56B C53A 127(3) . . ?
C57B C56B C53A 152(3) . . ?
C40A C56B C41B 78.4(16) . . ?
C57B C56B C41B 117.1(19) . . ?
C53A C56B C41B 51.9(15) . . ?
C40A C56B C55B 147(3) . . ?
C57B C56B C55B 114(3) . . ?
C53A C56B C55B 62.9(15) . . ?
C41B C56B C55B 113(3) . . ?
C40A C56B C55A 111(3) . . ?
C57B C56B C55A 72(2) . . ?
C53A C56B C55A 104(2) . . ?
C41B C56B C55A 147(3) . . ?
C55B C56B C55A 42.8(10) . . ?
C36A C38B C35A 70.1(12) . . ?
C36A C38B C37B 115.4(16) . . ?
C35A C38B C37B 47.0(11) . . ?
C36A C38B C20B 108.6(18) . . ?
C35A C38B C20B 156.3(16) . . ?
C37B C38B C20B 122.6(17) . . ?
C36A C38B C18A 64.7(11) . . ?
C35A C38B C18A 130.7(13) . . ?
C37B C38B C18A 150.2(17) . . ?
C20B C38B C18A 44.1(11) . . ?
C36A C38B C39B 9.4(15) . . ?
C35A C38B C39B 79.1(12) . . ?
C37B C38B C39B 123.6(16) . . ?
C20B C38B C39B 99.3(17) . . ?
C18A C38B C39B 55.4(12) . . ?
C36A C38B C34A 128.4(15) . . ?
C35A C38B C34A 61.4(10) . . ?
C37B C38B C34A 14.5(12) . . ?
C20B C38B C34A 108.8(13) . . ?
C18A C38B C34A 143.3(11) . . ?
C39B C38B C34A 135.8(13) . . ?
C36A C38B C17A 115.3(14) . . ?
C35A C38B C17A 148.2(12) . . ?
C37B C38B C17A 112.1(15) . . ?
C20B C38B C17A 10.6(11) . . ?
C18A C38B C17A 52.3(7) . . ?
C39B C38B C17A 106.4(14) . . ?
C34A C38B C17A 98.4(10) . . ?
C36A C38B C16A 150.0(13) . . ?
C35A C38B C16A 113.4(13) . . ?
C37B C38B C16A 68.1(12) . . ?
C20B C38B C16A 55.5(11) . . ?
C18A C38B C16A 97.1(9) . . ?
C39B C38B C16A 144.6(15) . . ?
C34A C38B C16A 53.7(7) . . ?
C17A C38B C16A 45.7(6) . . ?
C18A C20B C21B 41.5(12) . . ?
C18A C20B C38B 72.4(17) . . ?
C21B C20B C38B 113(2) . . ?
C18A C20B C19B 149(2) . . ?
C21B C20B C19B 117.7(17) . . ?
C38B C20B C19B 115.5(18) . . ?
C18A C20B C16A 139(3) . . ?
C21B C20B C16A 151(2) . . ?
C38B C20B C16A 73.7(12) . . ?
C19B C20B C16A 42.9(11) . . ?
C18A C20B C4A 105.7(17) . . ?
C21B C20B C4A 66.5(10) . . ?
C38B C20B C4A 151(2) . . ?
C19B C20B C4A 52.0(12) . . ?
C16A C20B C4A 93.5(12) . . ?
C2A C1B C2B 52.9(11) . . ?
C2A C1B C6B 72.3(11) . . ?
C2B C1B C6B 119.2(16) . . ?
C2A C1B C6A 133.4(19) . . ?
C2B C1B C6A 141.6(18) . . ?
C6B C1B C6A 64.5(13) . . ?
C2A C1B C9B 154.0(19) . . ?
C2B C1B C9B 117.2(14) . . ?
C6B C1B C9B 100.0(17) . . ?
C6A C1B C9B 36.3(8) . . ?
C2A C1B C 110.1(17) . . ?
C2B C1B C 99.9(16) . . ?
C6B C1B C 124.0(15) . . ?
C6A C1B C 108.0(14) . . ?
C9B C1B C 95.0(12) . . ?
C2A C1B C9A 111.5(15) . . ?
C2B C1B C9A 61.2(9) . . ?
C6B C1B C9A 136.4(17) . . ?
C6A C1B C9A 89.6(12) . . ?
C9B C1B C9A 56.7(8) . . ?
C C1B C9A 96.4(11) . . ?
C10A C11B C9A 70.8(8) . . ?
C10A C11B C26A 68.6(9) . . ?
C9A C11B C26A 136.6(12) . . ?
C10A C11B C10B 126.0(12) . . ?
C9A C11B C10B 57.5(9) . . ?
C26A C11B C10B 148.0(11) . . ?
C10A C11B C28B 111.8(14) . . ?
C9A C11B C28B 152.5(16) . . ?
C26A C11B C28B 45.1(8) . . ?
C10B C11B C28B 107.6(7) . . ?
C10A C11B C8A 131.1(11) . . ?
C9A C11B C8A 63.2(7) . . ?
C26A C11B C8A 143.7(11) . . ?
C10B C11B C8A 5.8(8) . . ?
C28B C11B C8A 102.1(8) . . ?
C10A C11B C12B 8.6(10) . . ?
C9A C11B C12B 62.4(10) . . ?
C26A C11B C12B 76.3(10) . . ?
C10B C11B C12B 117.5(12) . . ?
C28B C11B C12B 118.1(15) . . ?
C8A C11B C12B 122.6(11) . . ?
C10A C11B C25A 119.5(12) . . ?
C9A C11B C25A 153.1(12) . . ?
C26A C11B C25A 52.1(6) . . ?
C10B C11B C25A 102.4(8) . . ?
C28B C11B C25A 7.9(14) . . ?
C8A C11B C25A 96.7(10) . . ?
C12B C11B C25A 126.0(13) . . ?
C10A C11B C24A 154.1(12) . . ?
C9A C11B C24A 111.3(10) . . ?
C26A C11B C24A 98.9(8) . . ?
C10B C11B C24A 54.9(6) . . ?
C28B C11B C24A 54.0(6) . . ?
C8A C11B C24A 49.1(7) . . ?
C12B C11B C24A 152.5(13) . . ?
C25A C11B C24A 47.9(6) . . ?
C2A C2B C12A 67.8(11) . . ?
C2A C2B C1B 58.7(10) . . ?
C12A C2B C1B 121.1(14) . . ?
C2A C2B C1A 74.8(9) . . ?
C12A C2B C1A 135.8(13) . . ?
C1B C2B C1A 16.2(9) . . ?
C2A C2B C3B 71.3(14) . . ?
C12A C2B C3B 6(2) . . ?
C1B C2B C3B 121.8(16) . . ?
C1A C2B C3B 135.5(14) . . ?
C2A C2B C12B 152.6(17) . . ?
C12A C2B C12B 93.3(15) . . ?
C1B C2B C12B 124.3(15) . . ?
C1A C2B C12B 111.1(13) . . ?
C3B C2B C12B 88(2) . . ?
C2A C2B C9A 126.8(11) . . ?
C12A C2B C9A 135.4(11) . . ?
C1B C2B C9A 71.5(10) . . ?
C1A C2B C9A 57.1(7) . . ?
C3B C2B C9A 129(2) . . ?
C12B C2B C9A 54.2(10) . . ?
C2A C2B C11A 121.6(13) . . ?
C12A C2B C11A 54.6(9) . . ?
C1B C2B C11A 149.7(14) . . ?
C1A C2B C11A 145.0(11) . . ?
C3B C2B C11A 50.5(14) . . ?
C12B C2B C11A 39.8(10) . . ?
C9A C2B C11A 92.2(7) . . ?
C2A C2B C10A 152.9(11) . . ?
C12A C2B C10A 101.2(11) . . ?
C1B C2B C10A 114.9(11) . . ?
C1A C2B C10A 101.5(10) . . ?
C3B C2B C10A 95.9(17) . . ?
C12B C2B C10A 9.6(10) . . ?
C9A C2B C10A 44.6(5) . . ?
C11A C2B C10A 48.9(5) . . ?
C11A C12B C13B 43.7(13) . . ?
C11A C12B C9A 145(2) . . ?
C13B C12B C9A 149(2) . . ?
C11A C12B C2B 81.4(15) . . ?
C13B C12B C2B 124(2) . . ?
C9A C12B C2B 70.3(10) . . ?
C11A C12B C11B 150(2) . . ?
C13B C12B C11B 110.3(17) . . ?
C9A C12B C11B 46.7(8) . . ?
C2B C12B C11B 116.8(14) . . ?
C11A C12B C26A 105.8(16) . . ?
C13B C12B C26A 62.4(12) . . ?
C9A C12B C26A 94.7(12) . . ?
C2B C12B C26A 158.3(16) . . ?
C11B C12B C26A 48.9(8) . . ?
C4A C6B C3A 62.5(10) . . ?
C4A C6B C5A 69.5(9) . . ?
C3A C6B C5A 129.0(14) . . ?
C4A C6B C7B 69.1(11) . . ?
C3A C6B C7B 128.5(16) . . ?
C5A C6B C7B 0(2) . . ?
C4A C6B C1B 161.2(14) . . ?
C3A C6B C1B 106.9(12) . . ?
C5A C6B C1B 113.7(16) . . ?
C7B C6B C1B 113.9(17) . . ?
C4A C6B C5B 50.3(11) . . ?
C3A C6B C5B 12.4(11) . . ?
C5A C6B C5B 116.8(13) . . ?
C7B C6B C5B 116.4(15) . . ?
C1B C6B C5B 117.8(14) . . ?
C4A C6B C6A 122.4(11) . . ?
C3A C6B C6A 149.0(11) . . ?
C5A C6B C6A 55.5(9) . . ?
C7B C6B C6A 55.8(11) . . ?
C1B C6B C6A 58.1(11) . . ?
C5B C6B C6A 148.3(14) . . ?
C4A C6B C2A 121.7(13) . . ?
C3A C6B C2A 59.5(7) . . ?
C5A C6B C2A 155.7(13) . . ?
C7B C6B C2A 155.7(19) . . ?
C1B C6B C2A 48.4(10) . . ?
C5B C6B C2A 71.4(10) . . ?
C6A C6B C2A 104.7(9) . . ?
C4A C6B C1A 160.0(10) . . ?
C3A C6B C1A 112.0(10) . . ?
C5A C6B C1A 107.1(12) . . ?
C7B C6B C1A 107.4(14) . . ?
C1B C6B C1A 6.6(12) . . ?
C5B C6B C1A 122.3(11) . . ?
C6A C6B C1A 51.6(6) . . ?
C2A C6B C1A 54.4(5) . . ?
C52A C53B C51A 70.7(10) . . ?
C52A C53B C52B 127.8(15) . . ?
C51A C53B C52B 58.6(12) . . ?
C52A C53B C35A 76.3(12) . . ?
C51A C53B C35A 142.6(12) . . ?
C52B C53B C35A 142.7(17) . . ?
C52A C53B C37B 116.3(15) . . ?
C51A C53B C37B 153.8(17) . . ?
C52B C53B C37B 104.9(18) . . ?
C35A C53B C37B 41.1(10) . . ?
C52A C53B C54B 5.0(14) . . ?
C51A C53B C54B 67.7(10) . . ?
C52B C53B C54B 123.7(15) . . ?
C35A C53B C54B 78.1(11) . . ?
C37B C53B C54B 117.1(15) . . ?
C52A C53B C34A 129.8(14) . . ?
C51A C53B C34A 144.2(12) . . ?
C52B C53B C34A 90.6(14) . . ?
C35A C53B C34A 55.6(7) . . ?
C37B C53B C34A 14.6(12) . . ?
C54B C53B C34A 129.9(12) . . ?
C52A C53B C50A 124.6(13) . . ?
C51A C53B C50A 56.0(8) . . ?
C52B C53B C50A 3.4(13) . . ?
C35A C53B C50A 143.0(11) . . ?
C37B C53B C50A 106.5(14) . . ?
C54B C53B C50A 120.5(11) . . ?
C34A C53B C50A 92.4(9) . . ?
C52A C53B C33A 155.9(11) . . ?
C51A C53B C33A 102.3(10) . . ?
C52B C53B C33A 44.9(12) . . ?
C35A C53B C33A 100.7(9) . . ?
C37B C53B C33A 60.4(11) . . ?
C54B C53B C33A 151.3(14) . . ?
C34A C53B C33A 45.9(6) . . ?
C50A C53B C33A 46.9(6) . . ?
C35A C37B C38B 60.3(15) . . ?
C35A C37B C53B 63.5(14) . . ?
C38B C37B C53B 122.6(16) . . ?
C35A C37B C36B 161(3) . . ?
C38B C37B C36B 117.5(19) . . ?
C53B C37B C36B 111(2) . . ?
C35A C37B C33A 134(2) . . ?
C38B C37B C33A 152(2) . . ?
C53B C37B C33A 72.3(14) . . ?
C36B C37B C33A 39.7(9) . . ?
C35A C37B C16A 127(2) . . ?
C38B C37B C16A 69.3(14) . . ?
C53B C37B C16A 151(2) . . ?
C36B C37B C16A 48.5(9) . . ?
C33A C37B C16A 87.4(12) . . ?
C53A C54B C40B 42.3(13) . . ?
C53A C54B C55B 78.3(16) . . ?
C40B C54B C55B 120(2) . . ?
C53A C54B C53B 154(2) . . ?
C40B C54B C53B 117.4(16) . . ?
C55B C54B C53B 114.4(15) . . ?
C53A C54B C51A 142(2) . . ?
C40B C54B C51A 158(2) . . ?
C55B C54B C51A 66.4(11) . . ?
C53B C54B C51A 48.7(9) . . ?
C53A C54B C35A 111.8(18) . . ?
C40B C54B C35A 70.9(12) . . ?
C55B C54B C35A 151.4(17) . . ?
C53B C54B C35A 46.6(8) . . ?
C51A C54B C35A 94.2(11) . . ?
C55A C55B C54A 71.3(11) . . ?
C55A C55B C60B 56.0(11) . . ?
C54A C55B C60B 125.3(18) . . ?
C55A C55B C59A 65.4(10) . . ?
C54A C55B C59A 133.5(15) . . ?
C60B C55B C59A 9.6(10) . . ?
C55A C55B C54B 156.3(17) . . ?
C54A C55B C54B 97.4(16) . . ?
C60B C55B C54B 124.8(14) . . ?
C59A C55B C54B 115.5(14) . . ?
C55A C55B C56B 73.3(17) . . ?
C54A C55B C56B 2(2) . . ?
C60B C55B C56B 127(2) . . ?
C59A C55B C56B 135.4(19) . . ?
C54B C55B C56B 96(2) . . ?
C55A C55B C53A 127.3(12) . . ?
C54A C55B C53A 58.2(10) . . ?
C60B C55B C53A 153.7(18) . . ?
C59A C55B C53A 148.0(13) . . ?
C54B C55B C53A 39.6(11) . . ?
C56B C55B C53A 56.4(16) . . ?
C55A C55B C51A 120.0(12) . . ?
C54A C55B C51A 149.4(13) . . ?
C60B C55B C51A 65.8(9) . . ?
C59A C55B C51A 56.2(8) . . ?
C54B C55B C51A 60.4(10) . . ?
C56B C55B C51A 148.6(18) . . ?
C53A C55B C51A 98.9(9) . . ?
C55A C55B C52A 154.7(12) . . ?
C54A C55B C52A 109.6(13) . . ?
C60B C55B C52A 111.9(11) . . ?
C59A C55B C52A 102.6(11) . . ?
C54B C55B C52A 13.2(10) . . ?
C56B C55B C52A 107.9(18) . . ?
C53A C55B C52A 52.5(6) . . ?
C51A C55B C52A 47.2(6) . . ?
C33A C36B C34A 77.0(14) . . ?
C33A C36B C18B 148.6(18) . . ?
C34A C36B C18B 122.0(17) . . ?
C33A C36B C32A 74.8(12) . . ?
C34A C36B C32A 148.1(16) . . ?
C18B C36B C32A 78.6(13) . . ?
C33A C36B C16A 147.1(15) . . ?
C34A C36B C16A 74.2(12) . . ?
C18B C36B C16A 49.0(12) . . ?
C32A C36B C16A 126.4(13) . . ?
C33A C36B C15A 135.8(16) . . ?
C34A C36B C15A 137.0(17) . . ?
C18B C36B C15A 15.8(13) . . ?
C32A C36B C15A 63.1(10) . . ?
C16A C36B C15A 64.7(10) . . ?
C33A C36B C37B 77.0(15) . . ?
C34A C36B C37B 5.1(14) . . ?
C18B C36B C37B 119.6(18) . . ?
C32A C36B C37B 145.4(16) . . ?
C16A C36B C37B 72.9(12) . . ?
C15A C36B C37B 134.0(15) . . ?
C33A C36B C35B 27.0(9) . . ?
C34A C36B C35B 101.7(15) . . ?
C18B C36B C35B 123.0(16) . . ?
C32A C36B C35B 48.3(9) . . ?
C16A C36B C35B 153.4(11) . . ?
C15A C36B C35B 109.0(13) . . ?
C37B C36B C35B 100.6(16) . . ?
C16A C18B C36B 72.1(17) . . ?
C16A C18B C19B 53.1(14) . . ?
C36B C18B C19B 124(2) . . ?
C16A C18B C17B 157(3) . . ?
C36B C18B C17B 117.0(17) . . ?
C19B C18B C17B 111(2) . . ?
C16A C18B C32A 122(2) . . ?
C36B C18B C32A 51.3(11) . . ?
C19B C18B C32A 160(3) . . ?
C17B C18B C32A 66.6(11) . . ?
C16A C18B C14A 128(3) . . ?
C36B C18B C14A 149(2) . . ?
C19B C18B C14A 76.0(19) . . ?
C17B C18B C14A 35.3(10) . . ?
C32A C18B C14A 101.5(15) . . ?
C11A C13B C28A 104(2) . . ?
C11A C13B C30B 169(2) . . ?
C28A C13B C30B 83(2) . . ?
C11A C13B C12B 55.4(16) . . ?
C28A C13B C12B 157(2) . . ?
C30B C13B C12B 117(2) . . ?
C11A C13B C10A 74.1(15) . . ?
C28A C13B C10A 167.3(15) . . ?
C30B C13B C10A 98(2) . . ?
C12B C13B C10A 18.8(10) . . ?
C11A C13B C27A 166.6(17) . . ?
C28A C13B C27A 69.8(14) . . ?
C30B C13B C27A 13.0(17) . . ?
C12B C13B C27A 128.1(18) . . ?
C10A C13B C27A 109.6(14) . . ?
C11A C13B C14B 52.4(13) . . ?
C28A C13B C14B 52.3(13) . . ?
C30B C13B C14B 131(2) . . ?
C12B C13B C14B 104.8(19) . . ?
C10A C13B C14B 121.8(16) . . ?
C27A C13B C14B 118.1(17) . . ?
C11A C13B C26A 128.6(19) . . ?
C28A C13B C26A 124.2(18) . . ?
C30B C13B C26A 42.7(16) . . ?
C12B C13B C26A 73.8(14) . . ?
C10A C13B C26A 55.0(8) . . ?
C27A C13B C26A 54.8(8) . . ?
C14B C13B C26A 154.7(11) . . ?
C26A C30B C13B 92(2) . . ?
C26A C30B C29B 49.7(16) . . ?
C13B C30B C29B 136(3) . . ?
C26A C30B C28A 131(2) . . ?
C13B C30B C28A 40.8(14) . . ?
C29B C30B C28A 155(3) . . ?
C26A C30B C45A 116(2) . . ?
C13B C30B C45A 137(3) . . ?
C29B C30B C45A 67.2(16) . . ?
C28A C30B C45A 101.0(18) . . ?
C26A C30B C31B 145(3) . . ?
C13B C30B C31B 105(2) . . ?
C29B C30B C31B 100(2) . . ?
C28A C30B C31B 66.4(14) . . ?
C45A C30B C31B 34.7(8) . . ?
C26A C30B C10A 46.5(11) . . ?
C13B C30B C10A 45.1(13) . . ?
C29B C30B C10A 94(2) . . ?
C28A C30B C10A 85.3(13) . . ?
C45A C30B C10A 148(2) . . ?
C31B C30B C10A 139.9(17) . . ?
C30A C16B C31A 98(2) . . ?
C30A C16B C17B 124(2) . . ?
C31A C16B C17B 132.3(18) . . ?
C30A C16B C15B 10.2(13) . . ?
C31A C16B C15B 92.2(18) . . ?
C17B C16B C15B 124.7(17) . . ?
C30A C16B C13A 66.0(13) . . ?
C31A C16B C13A 156.7(17) . . ?
C17B C16B C13A 58.6(11) . . ?
C15B C16B C13A 68.8(12) . . ?
C30A C16B C32A 152.7(19) . . ?
C31A C16B C32A 60.4(11) . . ?
C17B C16B C32A 72.5(11) . . ?
C15B C16B C32A 143.3(17) . . ?
C13A C16B C32A 128.7(12) . . ?
C30A C16B C34B 107.2(18) . . ?
C31A C16B C34B 15.0(9) . . ?
C17B C16B C34B 118.1(14) . . ?
C15B C16B C34B 100.2(16) . . ?
C13A C16B C34B 152.1(12) . . ?
C32A C16B C34B 48.0(8) . . ?
C30A C16B C15A 147.9(17) . . ?
C31A C16B C15A 103.9(14) . . ?
C17B C16B C15A 28.5(10) . . ?
C15B C16B C15A 143.8(14) . . ?
C13A C16B C15A 85.9(9) . . ?
C32A C16B C15A 44.1(6) . . ?
C34B C16B C15A 90.3(10) . . ?
C30A C16B C14A 112.4(16) . . ?
C31A C16B C14A 139.8(14) . . ?
C17B C16B C14A 12.1(9) . . ?
C15B C16B C14A 112.7(13) . . ?
C13A C16B C14A 47.4(6) . . ?
C32A C16B C14A 82.3(8) . . ?
C34B C16B C14A 124.9(10) . . ?
C15A C16B C14A 38.5(5) . . ?
C33A C35B C34B 162(2) . . ?
C33A C35B C32A 91(2) . . ?
C34B C35B C32A 73.0(15) . . ?
C33A C35B C50A 83(2) . . ?
C34B C35B C50A 110(2) . . ?
C32A C35B C50A 164.8(17) . . ?
C33A C35B C52B 64.2(19) . . ?
C34B C35B C52B 127(2) . . ?
C32A C35B C52B 150(2) . . ?
C50A C35B C52B 19.2(11) . . ?
C33A C35B C36B 40.8(15) . . ?
C34B C35B C36B 122.1(16) . . ?
C32A C35B C36B 51.3(10) . . ?
C50A C35B C36B 120.2(17) . . ?
C52B C35B C36B 101.1(18) . . ?
C33A C35B C31A 143(2) . . ?
C34B C35B C31A 20.0(11) . . ?
C32A C35B C31A 53.1(9) . . ?
C50A C35B C31A 128.1(16) . . ?
C52B C35B C31A 143.3(17) . . ?
C36B C35B C31A 102.3(11) . . ?
C33A C35B C49A 128(2) . . ?
C34B C35B C49A 64.3(14) . . ?
C32A C35B C49A 135.0(17) . . ?
C50A C35B C49A 45.5(8) . . ?
C52B C35B C49A 63.7(12) . . ?
C36B C35B C49A 153.3(13) . . ?
C31A C35B C49A 83.2(10) . . ?
C45A C31B C46A 85.1(12) . . ?
C45A C31B C32B 159.2(12) . . ?
C46A C31B C32B 81.1(11) . . ?
C45A C31B C48B 41.5(9) . . ?
C46A C31B C48B 44.2(8) . . ?
C32B C31B C48B 121.4(9) . . ?
C45A C31B C27A 62.5(10) . . ?
C46A C31B C27A 144.9(15) . . ?
C32B C31B C27A 125.3(14) . . ?
C48B C31B C27A 101.4(12) . . ?
C45A C31B C47A 142.9(12) . . ?
C46A C31B C47A 59.8(9) . . ?
C32B C31B C47A 21.5(8) . . ?
C48B C31B C47A 101.8(9) . . ?
C27A C31B C47A 145.4(12) . . ?
C45A C31B C29A 153.5(13) . . ?
C46A C31B C29A 112.8(12) . . ?
C32B C31B C29A 32.0(9) . . ?
C48B C31B C29A 147.7(9) . . ?
C27A C31B C29A 94.4(9) . . ?
C47A C31B C29A 53.6(7) . . ?
C45A C31B C28A 113.5(12) . . ?
C46A C31B C28A 152.0(13) . . ?
C32B C31B C28A 74.8(11) . . ?
C48B C31B C28A 145.5(11) . . ?
C27A C31B C28A 51.5(6) . . ?
C47A C31B C28A 96.2(10) . . ?
C29A C31B C28A 43.1(5) . . ?
C45A C31B C30B 66.6(13) . . ?
C46A C31B C30B 146.9(16) . . ?
C32B C31B C30B 120.3(15) . . ?
C48B C31B C30B 104.4(14) . . ?
C27A C31B C30B 5.3(12) . . ?
C47A C31B C30B 140.1(14) . . ?
C29A C31B C30B 89.7(11) . . ?
C28A C31B C30B 47.1(10) . . ?
C43A C47B C29B 79.9(18) . . ?
C43A C47B C45A 153(2) . . ?
C29B C47B C45A 74.1(14) . . ?
C43A C47B C46B 50.7(13) . . ?
C29B C47B C46B 128(2) . . ?
C45A C47B C46B 148.6(18) . . ?
C43A C47B C48B 159(2) . . ?
C29B C47B C48B 108.7(18) . . ?
C45A C47B C48B 36.4(8) . . ?
C46B C47B C48B 113.5(15) . . ?
C43A C47B C56A 108.1(17) . . ?
C29B C47B C56A 154.9(19) . . ?
C45A C47B C56A 92.7(14) . . ?
C46B C47B C56A 57.8(10) . . ?
C48B C47B C56A 56.4(9) . . ?
C43A C46B C42A 74.9(14) . . ?
C43A C46B C58B 159.3(19) . . ?
C42A C46B C58B 99.2(18) . . ?
C43A C46B C45B 63.4(16) . . ?
C42A C46B C45B 11.8(18) . . ?
C58B C46B C45B 109(2) . . ?
C43A C46B C44A 65.9(12) . . ?
C42A C46B C44A 138.3(17) . . ?
C58B C46B C44A 112.3(15) . . ?
C45B C46B C44A 127(2) . . ?
C43A C46B C47B 49.0(13) . . ?
C42A C46B C47B 120.9(18) . . ?
C58B C46B C47B 126.0(16) . . ?
C45B C46B C47B 109(2) . . ?
C44A C46B C47B 17.5(11) . . ?
C43A C46B C41A 129.2(16) . . ?
C42A C46B C41A 56.4(10) . . ?
C58B C46B C41A 43.1(13) . . ?
C45B C46B C41A 67.1(17) . . ?
C44A C46B C41A 149.7(13) . . ?
C47B C46B C41A 152.3(14) . . ?
C43A C46B C56A 121.1(15) . . ?
C42A C46B C56A 149.5(16) . . ?
C58B C46B C56A 56.1(12) . . ?
C45B C46B C56A 152(2) . . ?
C44A C46B C56A 56.7(8) . . ?
C47B C46B C56A 72.5(11) . . ?
C41A C46B C56A 98.3(11) . . ?
C43A C46B C04G 156.2(13) . . ?
C42A C46B C04G 109.0(15) . . ?
C58B C46B C04G 10.6(12) . . ?
C45B C46B C04G 118(2) . . ?
C44A C46B C04G 101.7(12) . . ?
C47B C46B C04G 115.8(13) . . ?
C41A C46B C04G 53.3(8) . . ?
C56A C46B C04G 45.5(7) . . ?
C41A C58B C46B 78(2) . . ?
C41A C58B C56A 146(2) . . ?
C46B C58B C56A 70.0(13) . . ?
C41A C58B C57B 40.2(13) . . ?
C46B C58B C57B 117(2) . . ?
C56A C58B C57B 156(2) . . ?
C41A C58B C59B 150(3) . . ?
C46B C58B C59B 119.0(16) . . ?
C56A C58B C59B 50.5(10) . . ?
C57B C58B C59B 113(2) . . ?
C41A C58B C55A 106(2) . . ?
C46B C58B C55A 155.1(19) . . ?
C56A C58B C55A 98.1(15) . . ?
C57B C58B C55A 66.0(15) . . ?
C59B C58B C55A 48.2(10) . . ?
C41A C58B C42A 40.1(12) . . ?
C46B C58B C42A 38.5(11) . . ?
C56A C58B C42A 106.4(16) . . ?
C57B C58B C42A 78.4(17) . . ?
C59B C58B C42A 147.2(16) . . ?
C55A C58B C42A 137.5(18) . . ?
C45A C48B C46A 95.6(14) . . ?
C45A C48B C44A 76.3(11) . . ?
C46A C48B C44A 166.9(16) . . ?
C45A C48B C49B 162.7(14) . . ?
C46A C48B C49B 73.8(10) . . ?
C44A C48B C49B 111.3(12) . . ?
C45A C48B C57A 163.6(15) . . ?
C46A C48B C57A 71.2(10) . . ?
C44A C48B C57A 114.7(11) . . ?
C49B C48B C57A 4.6(14) . . ?
C45A C48B C31B 47.6(10) . . ?
C46A C48B C31B 48.7(9) . . ?
C44A C48B C31B 121.1(12) . . ?
C49B C48B C31B 118.8(8) . . ?
C57A C48B C31B 117.4(10) . . ?
C45A C48B C47B 63.4(13) . . ?
C46A C48B C47B 153.0(17) . . ?
C44A C48B C47B 14.6(10) . . ?
C49B C48B C47B 121.5(14) . . ?
C57A C48B C47B 125.5(13) . . ?
C31B C48B C47B 106.7(13) . . ?
C45A C48B C56A 132.6(14) . . ?
C46A C48B C56A 127.8(13) . . ?
C44A C48B C56A 57.3(7) . . ?
C49B C48B C56A 54.3(8) . . ?
C57A C48B C56A 57.5(7) . . ?
C31B C48B C56A 157.3(11) . . ?
C47B C48B C56A 69.3(10) . . ?
C48B C49B C56A 71.9(11) . . ?
C48B C49B C58A 151.6(14) . . ?
C56A C49B C58A 124.3(12) . . ?
C48B C49B C46A 41.4(7) . . ?
C56A C49B C46A 113.1(14) . . ?
C58A C49B C46A 115.7(9) . . ?
C48B C49B C50B 118.8(8) . . ?
C56A C49B C50B 154.3(17) . . ?
C58A C49B C50B 36.6(5) . . ?
C46A C49B C50B 79.3(8) . . ?
C48B C49B C59B 123.3(15) . . ?
C56A C49B C59B 53.1(9) . . ?
C58A C49B C59B 71.9(7) . . ?
C46A C49B C59B 158(2) . . ?
C50B C49B C59B 107.4(7) . . ?
C04G C59B C56A 65.4(10) . . ?
C04G C59B C55A 69.4(9) . . ?
C56A C59B C55A 132.4(13) . . ?
C04G C59B C60B 117.9(17) . . ?
C56A C59B C60B 158.0(18) . . ?
C55A C59B C60B 49.3(12) . . ?
C04G C59B C49B 123.4(13) . . ?
C56A C59B C49B 59.8(9) . . ?
C55A C59B C49B 149.9(11) . . ?
C60B C59B C49B 108.0(7) . . ?
C04G C59B C57A 126.4(13) . . ?
C56A C59B C57A 62.1(7) . . ?
C55A C59B C57A 151.1(12) . . ?
C60B C59B C57A 107.0(9) . . ?
C49B C59B C57A 3.9(13) . . ?
C04G C59B C58B 7.7(13) . . ?
C56A C59B C58B 59.1(11) . . ?
C55A C59B C58B 74.5(13) . . ?
C60B C59B C58B 122(2) . . ?
C49B C59B C58B 116.0(13) . . ?
C57A C59B C58B 119.2(12) . . ?
C04G C59B C59A 120.9(12) . . ?
C56A C59B C59A 154.3(12) . . ?
C55A C59B C59A 53.0(6) . . ?
C60B C59B C59A 4.6(10) . . ?
C49B C59B C59A 103.6(8) . . ?
C57A C59B C59A 102.7(11) . . ?
C58B C59B C59A 124.2(15) . . ?
C04G C59B C58A 158.4(12) . . ?
C56A C59B C58A 112.2(9) . . ?
C55A C59B C58A 104.2(9) . . ?
C60B C59B C58A 55.9(7) . . ?
C49B C59B C58A 53.0(6) . . ?
C57A C59B C58A 51.4(7) . . ?
C58B C59B C58A 153.2(14) . . ?
C59A C59B C58A 51.8(7) . . ?
C4A C5B C14A 145(2) . . ?
C4A C5B C4B 161(3) . . ?
C14A C5B C4B 35.6(10) . . ?
C4A C5B C19B 67.1(14) . . ?
C14A C5B C19B 80.8(18) . . ?
C4B C5B C19B 116(2) . . ?
C4A C5B C6B 51.5(11) . . ?
C14A C5B C6B 151.7(19) . . ?
C4B C5B C6B 119.2(16) . . ?
C19B C5B C6B 117.8(18) . . ?
C4A C5B C2A 109.6(17) . . ?
C14A C5B C2A 98.7(13) . . ?
C4B C5B C2A 63.1(11) . . ?
C19B C5B C2A 167(2) . . ?
C6B C5B C2A 58.2(9) . . ?
C58A C51B C49A 85.0(12) . . ?
C58A C51B C59A 77.5(11) . . ?
C49A C51B C59A 158.2(15) . . ?
C58A C51B C50A 151.6(14) . . ?
C49A C51B C50A 69.4(10) . . ?
C59A C51B C50A 123.6(14) . . ?
C58A C51B C60B 71.5(9) . . ?
C49A C51B C60B 153.0(13) . . ?
C59A C51B C60B 6.1(11) . . ?
C50A C51B C60B 129.0(13) . . ?
C58A C51B C50B 37.3(7) . . ?
C49A C51B C50B 48.2(10) . . ?
C59A C51B C50B 112.3(10) . . ?
C50A C51B C50B 115.2(11) . . ?
C60B C51B C50B 106.4(7) . . ?
C58A C51B C51A 137.0(11) . . ?
C49A C51B C51A 131.4(13) . . ?
C59A C51B C51A 61.0(9) . . ?
C50A C51B C51A 63.2(8) . . ?
C60B C51B C51A 66.8(9) . . ?
C50B C51B C51A 156.1(10) . . ?
C58A C51B C52B 159.4(16) . . ?
C49A C51B C52B 84.5(13) . . ?
C59A C51B C52B 107.7(13) . . ?
C50A C51B C52B 15.8(10) . . ?
C60B C51B C52B 113.2(14) . . ?
C50B C51B C52B 127.8(14) . . ?
C51A C51B C52B 47.5(9) . . ?
C58A C50B C49A 87.7(12) . . ?
C58A C50B C33B 156.3(19) . . ?
C49A C50B C33B 74.1(13) . . ?
C58A C50B C57A 71.1(11) . . ?
C49A C50B C57A 155.4(14) . . ?
C33B C50B C57A 121.9(10) . . ?
C58A C50B C49B 70.3(11) . . ?
C49A C50B C49B 152.1(12) . . ?
C33B C50B C49B 121.0(9) . . ?
C57A C50B C49B 4.5(15) . . ?
C58A C50B C51B 43.0(9) . . ?
C49A C50B C51B 45.2(8) . . ?
C33B C50B C51B 115.9(14) . . ?
C57A C50B C51B 111.6(10) . . ?
C49B C50B C51B 109.5(7) . . ?
C58A C50B C48A 144.6(14) . . ?
C49A C50B C48A 59.5(9) . . ?
C33B C50B C48A 14.7(10) . . ?
C57A C50B C48A 135.9(11) . . ?
C49B C50B C48A 134.6(9) . . ?
C51B C50B C48A 102.3(9) . . ?
C58A C50B C46A 120.2(12) . . ?
C49A C50B C46A 144.5(12) . . ?
C33B C50B C46A 72.5(8) . . ?
C57A C50B C46A 50.0(7) . . ?
C49B C50B C46A 50.2(6) . . ?
C51B C50B C46A 150.9(9) . . ?
C48A C50B C46A 87.1(7) . . ?
C58A C50B C47A 157.2(13) . . ?
C49A C50B C47A 104.9(11) . . ?
C33B C50B C47A 31.0(8) . . ?
C57A C50B C47A 91.6(9) . . ?
C49B C50B C47A 91.4(7) . . ?
C51B C50B C47A 142.6(11) . . ?
C48A C50B C47A 45.6(6) . . ?
C46A C50B C47A 41.7(5) . . ?
C14A C17B C15A 79.2(17) . . ?
C14A C17B C16B 153.1(19) . . ?
C15A C17B C16B 122.7(19) . . ?
C14A C17B C13A 81.2(14) . . ?
C15A C17B C13A 157(2) . . ?
C16B C17B C13A 73.6(12) . . ?
C14A C17B C4B 32.0(11) . . ?
C15A C17B C4B 110.0(19) . . ?
C16B C17B C4B 121.8(15) . . ?
C13A C17B C4B 49.2(9) . . ?
C14A C17B C18B 75.4(18) . . ?
C15A C17B C18B 7.3(17) . . ?
C16B C17B C18B 124.3(17) . . ?
C13A C17B C18B 149.8(19) . . ?
C4B C17B C18B 105.1(18) . . ?
C14A C17B C32A 132.8(17) . . ?
C15A C17B C32A 55.6(11) . . ?
C16B C17B C32A 67.1(12) . . ?
C13A C17B C32A 137.6(14) . . ?
C4B C17B C32A 154.8(14) . . ?
C18B C17B C32A 58.1(11) . . ?
C14A C17B C30A 130.5(16) . . ?
C15A C17B C30A 142.3(17) . . ?
C16B C17B C30A 23.0(8) . . ?
C13A C17B C30A 50.9(7) . . ?
C4B C17B C30A 98.9(11) . . ?
C18B C17B C30A 141.6(14) . . ?
C32A C17B C30A 88.3(10) . . ?
C14A C17B C31A 160.5(14) . . ?
C15A C17B C31A 100.5(14) . . ?
C16B C17B C31A 22.3(9) . . ?
C13A C17B C31A 93.8(11) . . ?
C4B C17B C31A 138.5(12) . . ?
C18B C17B C31A 102.0(12) . . ?
C32A C17B C31A 45.2(6) . . ?
C30A C17B C31A 43.3(6) . . ?
C51A C52B C53B 60.2(12) . . ?
C51A C52B C33A 149(2) . . ?
C53B C52B C33A 92.0(18) . . ?
C51A C52B C35B 156(2) . . ?
C53B C52B C35B 122(2) . . ?
C33A C52B C35B 32.0(10) . . ?
C51A C52B C51B 63.1(11) . . ?
C53B C52B C51B 121.2(15) . . ?
C33A C52B C51B 135(2) . . ?
C35B C52B C51B 104.3(19) . . ?
C51A C52B C49A 98.0(14) . . ?
C53B C52B C49A 150.8(17) . . ?
C33A C52B C49A 102.0(16) . . ?
C35B C52B C49A 70.1(14) . . ?
C51B C52B C49A 35.2(7) . . ?
C47A C32B C29A 161(4) . . ?
C47A C32B C31B 96(3) . . ?
C29A C32B C31B 102.3(18) . . ?
C47A C32B C33B 34(3) . . ?
C29A C32B C33B 131(2) . . ?
C31B C32B C33B 120.2(9) . . ?
C47A C32B C46A 54(2) . . ?
C29A C32B C46A 144(2) . . ?
C31B C32B C46A 42.4(7) . . ?
C33B C32B C46A 79.4(9) . . ?
C47A C32B C15B 135(4) . . ?
C29A C32B C15B 28.7(12) . . ?
C31B C32B C15B 124.3(19) . . ?
C33B C32B C15B 102.3(17) . . ?
C46A C32B C15B 155.0(19) . . ?
C47A C32B C48A 48(3) . . ?
C29A C32B C48A 114.4(18) . . ?
C31B C32B C48A 136.5(10) . . ?
C33B C32B C48A 17.1(8) . . ?
C46A C32B C48A 96.5(10) . . ?
C15B C32B C48A 86.4(14) . . ?
C47A C32B C28A 159(3) . . ?
C29A C32B C28A 38.8(11) . . ?
C31B C32B C28A 64.1(10) . . ?
C33B C32B C28A 151(2) . . ?
C46A C32B C28A 105.3(12) . . ?
C15B C32B C28A 61.6(12) . . ?
C48A C32B C28A 143.1(15) . . ?
C47A C32B C30A 121(3) . . ?
C29A C32B C30A 41.9(11) . . ?
C31B C32B C30A 135.9(16) . . ?
C33B C32B C30A 88.9(12) . . ?
C46A C32B C30A 154.4(15) . . ?
C15B C32B C30A 13.6(9) . . ?
C48A C32B C30A 72.8(9) . . ?
C28A C32B C30A 74.8(8) . . ?
C14A C4B C13A 97.2(19) . . ?
C14A C4B C3A 85.4(17) . . ?
C13A C4B C3A 160.8(15) . . ?
C14A C4B C5B 69.9(18) . . ?
C13A C4B C5B 156(2) . . ?
C3A C4B C5B 15.6(12) . . ?
C14A C4B C17B 37.3(14) . . ?
C13A C4B C17B 59.9(10) . . ?
C3A C4B C17B 119.6(16) . . ?
C5B C4B C17B 104.2(18) . . ?
C14A C4B C12A 156(2) . . ?
C13A C4B C12A 63.4(10) . . ?
C3A C4B C12A 108.2(15) . . ?
C5B C4B C12A 121.9(16) . . ?
C17B C4B C12A 120.9(13) . . ?
C14A C4B C3B 150(2) . . ?
C13A C4B C3B 59.6(13) . . ?
C3A C4B C3B 110.4(15) . . ?
C5B C4B C3B 123.1(18) . . ?
C17B C4B C3B 115.6(15) . . ?
C12A C4B C3B 6.2(18) . . ?
C14A C4B C2A 142(2) . . ?
C13A C4B C2A 117.0(14) . . ?
C3A C4B C2A 57.2(8) . . ?
C5B C4B C2A 72.6(13) . . ?
C17B C4B C2A 163.7(13) . . ?
C12A C4B C2A 53.6(8) . . ?
C3B C4B C2A 57.7(11) . . ?
C13A C3B C11A 120(2) . . ?
C13A C3B C14B 69.2(13) . . ?
C11A C3B C14B 51.2(13) . . ?
C13A C3B C2B 163(2) . . ?
C11A C3B C2B 74.6(17) . . ?
C14B C3B C2B 125(3) . . ?
C13A C3B C4B 47.9(11) . . ?
C11A C3B C4B 161(3) . . ?
C14B C3B C4B 115.3(16) . . ?
C2B C3B C4B 115.1(16) . . ?
C13A C3B C2A 117(2) . . ?
C11A C3B C2A 122(2) . . ?
C14B C3B C2A 169(3) . . ?
C2B C3B C2A 47.3(9) . . ?
C4B C3B C2A 68.8(13) . . ?
C30A C15B C29A 159(4) . . ?
C30A C15B C14B 118(3) . . ?
C29A C15B C14B 83(2) . . ?
C30A C15B C16B 13.8(18) . . ?
C29A C15B C16B 152(3) . . ?
C14B C15B C16B 121.0(18) . . ?
C30A C15B C32B 129(3) . . ?
C29A C15B C32B 33.0(14) . . ?
C14B C15B C32B 109(2) . . ?
C16B C15B C32B 119.5(19) . . ?
C30A C15B C13A 55(2) . . ?
C29A C15B C13A 146(3) . . ?
C14B C15B C13A 64.0(12) . . ?
C16B C15B C13A 57.9(11) . . ?
C32B C15B C13A 156.3(18) . . ?
C30A C15B C31A 44(2) . . ?
C29A C15B C31A 117(2) . . ?
C14B C15B C31A 150.1(17) . . ?
C16B C15B C31A 35.1(10) . . ?
C32B C15B C31A 85.2(13) . . ?
C13A C15B C31A 92.3(12) . . ?
C30A C15B C28A 158(3) . . ?
C29A C15B C28A 42.3(14) . . ?
C14B C15B C28A 41.0(10) . . ?
C16B C15B C28A 154.3(17) . . ?
C32B C15B C28A 68.8(13) . . ?
C13A C15B C28A 103.9(13) . . ?
C31A C15B C28A 147.9(16) . . ?
C30A C15B C47A 118(3) . . ?
C29A C15B C47A 43.9(14) . . ?
C14B C15B C47A 119.3(18) . . ?
C16B C15B C47A 108.5(16) . . ?
C32B C15B C47A 11.2(9) . . ?
C13A C15B C47A 153.6(14) . . ?
C31A C15B C47A 74.0(10) . . ?
C28A C15B C47A 79.7(10) . . ?
C31A C34B C48A 88(2) . . ?
C31A C34B C35B 132(2) . . ?
C48A C34B C35B 137(2) . . ?
C31A C34B C32A 76.5(17) . . ?
C48A C34B C32A 159.9(19) . . ?
C35B C34B C32A 55.3(11) . . ?
C31A C34B C33B 92.2(19) . . ?
C48A C34B C33B 10.8(11) . . ?
C35B C34B C33B 129(2) . . ?
C32A C34B C33B 154.7(15) . . ?
C31A C34B C49A 144(2) . . ?
C48A C34B C49A 58.2(12) . . ?
C35B C34B C49A 79.4(16) . . ?
C32A C34B C49A 132.6(15) . . ?
C33B C34B C49A 52.6(10) . . ?
C31A C34B C16B 18.7(12) . . ?
C48A C34B C16B 100.9(17) . . ?
C35B C34B C16B 114.8(15) . . ?
C32A C34B C16B 61.3(10) . . ?
C33B C34B C16B 102.3(15) . . ?
C49A C34B C16B 148.4(12) . . ?
C31A C34B C33A 125.0(19) . . ?
C48A C34B C33A 141.5(18) . . ?
C35B C34B C33A 7.2(10) . . ?
C32A C34B C33A 49.1(7) . . ?
C33B C34B C33A 132.6(15) . . ?
C49A C34B C33A 84.5(10) . . ?
C16B C34B C33A 107.8(10) . . ?
C31A C34B C50A 162.1(17) . . ?
C48A C34B C50A 99.4(15) . . ?
C35B C34B C50A 37.9(12) . . ?
C32A C34B C50A 92.1(11) . . ?
C33B C34B C50A 92.6(13) . . ?
C49A C34B C50A 41.4(7) . . ?
C16B C34B C50A 143.9(10) . . ?
C33A C34B C50A 43.2(6) . . ?
C55A C60B C55B 55.3(15) . . ?
C55A C60B C59B 61.4(11) . . ?
C55B C60B C59B 115(2) . . ?
C55A C60B C51B 156(4) . . ?
C55B C60B C51B 122.2(19) . . ?
C59B C60B C51B 108.6(8) . . ?
C55A C60B C58A 129.8(17) . . ?
C55B C60B C58A 154(3) . . ?
C59B C60B C58A 70.0(7) . . ?
C51B C60B C58A 40.1(6) . . ?
C55A C60B C51A 120(3) . . ?
C55B C60B C51A 66.1(12) . . ?
C59B C60B C51A 152(3) . . ?
C51B C60B C51A 57.6(8) . . ?
C58A C60B C51A 97.2(10) . . ?
C11A C14B C28A 75.8(11) . . ?
C11A C14B C15B 162.7(18) . . ?
C28A C14B C15B 95.1(18) . . ?
C11A C14B C3B 62.2(16) . . ?
C28A C14B C3B 135(2) . . ?
C15B C14B C3B 120.8(17) . . ?
C11A C14B C29A 134.3(14) . . ?
C28A C14B C29A 59.3(10) . . ?
C15B C14B C29A 36.4(11) . . ?
C3B C14B C29A 153.5(15) . . ?
C11A C14B C13B 37.7(9) . . ?
C28A C14B C13B 38.7(9) . . ?
C15B C14B C13B 129.9(19) . . ?
C3B C14B C13B 97(2) . . ?
C29A C14B C13B 96.6(13) . . ?
C11A C14B C12A 62.1(11) . . ?
C28A C14B C12A 136.5(17) . . ?
C15B C14B C12A 122.1(14) . . ?
C3B C14B C12A 4(2) . . ?
C29A C14B C12A 156.1(12) . . ?
C13B C14B C12A 97.9(16) . . ?
C11A C14B C13A 115.4(14) . . ?
C28A C14B C13A 159.6(14) . . ?
C15B C14B C13A 69.3(12) . . ?
C3B C14B C13A 53.2(13) . . ?
C29A C14B C13A 105.5(12) . . ?
C13B C14B C13A 146.2(15) . . ?
C12A C14B C13A 53.7(8) . . ?
C11A C14B C30A 160.5(13) . . ?
C28A C14B C30A 113.8(15) . . ?
C15B C14B C30A 18.9(10) . . ?
C3B C14B C30A 102.7(13) . . ?
C29A C14B C30A 55.3(8) . . ?
C13B C14B C30A 145.8(14) . . ?
C12A C14B C30A 103.8(11) . . ?
C13A C14B C30A 50.4(6) . . ?
C04H C0DA C065 112.3(9) . . ?
C2B C12A C13A 161.5(12) . . ?
C2B C12A C11A 73.9(9) . . ?
C13A C12A C11A 110.7(8) . . ?
C2B C12A C2A 50.3(7) . . ?
C13A C12A C2A 119.4(11) . . ?
C11A C12A C2A 123.4(9) . . ?
C2B C12A C4B 120.0(14) . . ?
C13A C12A C4B 47.3(9) . . ?
C11A C12A C4B 148.9(11) . . ?
C2A C12A C4B 72.1(10) . . ?
C2B C12A C14B 120.2(14) . . ?
C13A C12A C14B 63.9(8) . . ?
C11A C12A C14B 47.2(8) . . ?
C2A C12A C14B 161.2(12) . . ?
C4B C12A C14B 108.7(12) . . ?
C48B C44A C43A 149.9(9) . . ?
C48B C44A C46B 135.5(13) . . ?
C43A C44A C46B 48.3(9) . . ?
C48B C44A C56A 70.9(8) . . ?
C43A C44A C56A 116.2(8) . . ?
C46B C44A C56A 69.3(10) . . ?
C48B C44A C45A 39.5(7) . . ?
C43A C44A C45A 120.7(7) . . ?
C46B C44A C45A 154.8(10) . . ?
C56A C44A C45A 109.8(7) . . ?
C48B C44A C29B 99.1(10) . . ?
C43A C44A C29B 59.4(8) . . ?
C46B C44A C29B 105.5(12) . . ?
C56A C44A C29B 149.9(8) . . ?
C45A C44A C29B 61.9(7) . . ?
C26B C8A C24A 42.1(7) . . ?
C26B C8A C9A 155.5(11) . . ?
C24A C8A C9A 120.8(7) . . ?
C26B C8A C9B 119.6(12) . . ?
C24A C8A C9B 156.5(12) . . ?
C9A C8A C9B 69.8(7) . . ?
C26B C8A C7A 80.7(9) . . ?
C24A C8A C7A 120.6(9) . . ?
C9A C8A C7A 105.9(8) . . ?
C9B C8A C7A 38.9(7) . . ?
C26B C8A C11B 115.8(12) . . ?
C24A C8A C11B 74.6(8) . . ?
C9A C8A C11B 47.4(6) . . ?
C9B C8A C11B 116.7(10) . . ?
C7A C8A C11B 146.5(10) . . ?
C23B C20A C24B 140(3) . . ?
C23B C20A C19A 108(3) . . ?
C24B C20A C19A 111.8(14) . . ?
C23B C20A C21A 125(3) . . ?
C24B C20A C21A 16.2(15) . . ?
C19A C20A C21A 125.7(7) . . ?
C23B C20A C22B 64(2) . . ?
C24B C20A C22B 154.8(15) . . ?
C19A C20A C22B 45.5(7) . . ?
C21A C20A C22B 160.6(8) . . ?
C23B C20A C38A 33(3) . . ?
C24B C20A C38A 123.2(16) . . ?
C19A C20A C38A 115.4(7) . . ?
C21A C20A C38A 107.1(6) . . ?
C22B C20A C38A 72.1(8) . . ?
C23B C20A C8B 173(3) . . ?
C24B C20A C8B 45.6(12) . . ?
C19A C20A C8B 66.3(7) . . ?
C21A C20A C8B 60.6(6) . . ?
C22B C20A C8B 111.2(9) . . ?
C38A C20A C8B 153.3(7) . . ?
C23B C20A C42B 44(3) . . ?
C24B C20A C42B 105.8(17) . . ?
C19A C20A C42B 131.2(11) . . ?
C21A C20A C42B 89.6(9) . . ?
C22B C20A C42B 89.6(12) . . ?
C38A C20A C42B 17.8(8) . . ?
C8B C20A C42B 143.0(9) . . ?
C26A C29B C28B 62.6(14) . . ?
C26A C29B C25A 72.9(14) . . ?
C28B C29B C25A 11.6(12) . . ?
C26A C29B C30B 57.3(15) . . ?
C28B C29B C30B 118(2) . . ?
C25A C29B C30B 129(2) . . ?
C26A C29B C27A 74.1(11) . . ?
C28B C29B C27A 132.8(18) . . ?
C25A C29B C27A 144.4(14) . . ?
C30B C29B C27A 16.9(14) . . ?
C26A C29B C47B 160.6(16) . . ?
C28B C29B C47B 111(2) . . ?
C25A C29B C47B 103.0(17) . . ?
C30B C29B C47B 120(2) . . ?
C27A C29B C47B 103.6(17) . . ?
C26A C29B C43A 132.2(17) . . ?
C28B C29B C43A 70.3(13) . . ?
C25A C29B C43A 61.2(10) . . ?
C30B C29B C43A 155.8(19) . . ?
C27A C29B C43A 143.2(15) . . ?
C47B C29B C43A 42.2(12) . . ?
C26A C29B C45A 123.5(14) . . ?
C28B C29B C45A 153(2) . . ?
C25A C29B C45A 152.8(14) . . ?
C30B C29B C45A 67.2(16) . . ?
C27A C29B C45A 50.4(8) . . ?
C47B C29B C45A 53.8(13) . . ?
C43A C29B C45A 95.7(11) . . ?
C26A C29B C44A 160.7(12) . . ?
C28B C29B C44A 115.9(17) . . ?
C25A C29B C44A 108.2(13) . . ?
C30B C29B C44A 115(2) . . ?
C27A C29B C44A 98.6(13) . . ?
C47B C29B C44A 5.2(13) . . ?
C43A C29B C44A 47.4(7) . . ?
C45A C29B C44A 48.6(7) . . ?
C48A C33B C47A 126(4) . . ?
C48A C33B C50B 127(4) . . ?
C47A C33B C50B 107.1(14) . . ?
C48A C33B C32B 112(3) . . ?
C47A C33B C32B 17.5(12) . . ?
C50B C33B C32B 119.6(9) . . ?
C48A C33B C49A 81(3) . . ?
C47A C33B C49A 152.4(18) . . ?
C50B C33B C49A 46.0(9) . . ?
C32B C33B C49A 158.2(17) . . ?
C48A C33B C34B 22(3) . . ?
C47A C33B C34B 133(2) . . ?
C50B C33B C34B 114.4(18) . . ?
C32B C33B C34B 115.7(18) . . ?
C49A C33B C34B 69.9(13) . . ?
C48A C33B C31A 27(3) . . ?
C47A C33B C31A 105.9(16) . . ?
C50B C33B C31A 140.0(18) . . ?
C32B C33B C31A 89.4(13) . . ?
C49A C33B C31A 97.2(12) . . ?
C34B C33B C31A 27.3(8) . . ?
C48A C33B C46A 165(4) . . ?
C47A C33B C46A 40.8(10) . . ?
C50B C33B C46A 66.6(7) . . ?
C32B C33B C46A 53.6(7) . . ?
C49A C33B C46A 111.7(11) . . ?
C34B C33B C46A 154.4(17) . . ?
C31A C33B C46A 138.8(13) . . ?
C29B C28B C26A 55.2(14) . . ?
C29B C28B C24A 161(3) . . ?
C26A C28B C24A 134.4(13) . . ?
C29B C28B C11B 117.6(18) . . ?
C26A C28B C11B 63.5(10) . . ?
C24A C28B C11B 71.4(7) . . ?
C29B C28B C27B 129(2) . . ?
C26A C28B C27B 166(3) . . ?
C24A C28B C27B 37.0(5) . . ?
C11B C28B C27B 108.0(7) . . ?
C29B C28B C43A 69.0(14) . . ?
C26A C28B C43A 124(2) . . ?
C24A C28B C43A 97.2(10) . . ?
C11B C28B C43A 160(2) . . ?
C27B C28B C43A 60.6(9) . . ?
C03V C4 C2DA 110.8(4) . . ?
C3DA C2DA C4 111.1(5) . . ?
C5 C3DA C2DA 111.2(5) . . ?
C00X C1 C01C 113.0(3) . . ?
C00X C1 C016 112.8(3) . . ?
C01C C1 C016 133.9(3) . . ?
C00S C1DA C01B 112.9(3) . . ?
C00S C1DA C014 112.5(3) . . ?
C01B C1DA C014 134.3(3) . . ?
C17A C19B C16A 77.9(16) . . ?
C17A C19B C18B 127(2) . . ?
C16A C19B C18B 52.3(16) . . ?
C17A C19B C5B 114(2) . . ?
C16A C19B C5B 151(2) . . ?
C18B C19B C5B 104(2) . . ?
C17A C19B C4A 67.5(13) . . ?
C16A C19B C4A 141.6(18) . . ?
C18B C19B C4A 146(2) . . ?
C5B C19B C4A 48.1(13) . . ?
C17A C19B C20B 8.0(12) . . ?
C16A C19B C20B 70.1(16) . . ?
C18B C19B C20B 120(2) . . ?
C5B C19B C20B 122(2) . . ?
C4A C19B C20B 75.4(14) . . ?
C17A C19B C15A 138.6(18) . . ?
C16A C19B C15A 64.9(13) . . ?
C18B C19B C15A 12.6(15) . . ?
C5B C19B C15A 92.4(17) . . ?
C4A C19B C15A 137.1(15) . . ?
C20B C19B C15A 131.9(18) . . ?
C17A C19B C14A 150.9(15) . . ?
C16A C19B C14A 109.7(16) . . ?
C18B C19B C14A 58.4(15) . . ?
C5B C19B C14A 46.7(13) . . ?
C4A C19B C14A 94.0(12) . . ?
C20B C19B C14A 153.8(17) . . ?
C15A C19B C14A 46.0(8) . . ?
C17A C19B C3A 111.9(17) . . ?
C16A C19B C3A 151.7(16) . . ?
C18B C19B C3A 106.6(19) . . ?
C5B C19B C3A 2.5(15) . . ?
C4A C19B C3A 45.6(8) . . ?
C20B C19B C3A 119.4(16) . . ?
C15A C19B C3A 94.7(12) . . ?
C14A C19B C3A 49.1(8) . . ?

_refine_diff_density_max         1.259
_refine_diff_density_min         -0.861
_refine_diff_density_rms         0.088

# SQUEEZE RESULTS (Version = 260918)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 547 78 ' '
2 0.167 0.466 0.030 9 0 ' '
3 0.696 0.285 0.049 15 0 ' '
4 0.372 0.242 0.191 19 -1 ' '
5 0.628 0.742 0.309 19 -1 ' '
6 0.000 0.500 0.500 547 78 ' '
7 0.304 0.785 0.451 15 0 ' '
8 0.833 0.966 0.470 9 0 ' '
9 0.167 0.034 0.530 8 0 ' '
10 0.696 0.215 0.549 16 0 ' '
11 0.372 0.258 0.691 19 -1 ' '
12 0.628 0.758 0.809 19 -1 ' '
13 0.304 0.715 0.951 16 0 ' '
14 0.833 0.534 0.970 9 0 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?


####################################################################### 
# 
# 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_3bpy
_database_code_depnum_ccdc_archive 'CCDC 1946649'
loop_
_audit_author_name
_audit_author_address
'fullerene pyridine derivative'
;University of Science and Technology of China
China
;
_audit_update_record             
;
2019-08-12 deposited with the CCDC.	2020-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C198 H102 N22'
_chemical_formula_weight         2789.01

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   30.750
_cell_length_b                   27.543
_cell_length_c                   18.176
_cell_angle_alpha                90
_cell_angle_beta                 98.29
_cell_angle_gamma                90
_cell_volume                     15233.1
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    122715
_cell_measurement_theta_min      1.338
_cell_measurement_theta_max      42.518

_exptl_crystal_description       Block
_exptl_crystal_colour            Black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_F_000             5776
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.073
_shelx_estimated_absorpt_T_min   0.965
_shelx_estimated_absorpt_T_max   0.986
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF,Beamline BL17B'
_diffrn_measurement_device_type  'CCD MX300-HE'
_diffrn_measurement_method       phi_scans
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16807
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_av_R_equivalents  0.109
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         0.669
_diffrn_reflns_theta_max         21.259
_diffrn_reflns_theta_full        21.259
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             16807
_reflns_number_gt                15040
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1363P)²+76.2074P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16807
_refine_ls_number_parameters     2036
_refine_ls_number_restraints     1944
_refine_ls_R_factor_all          0.1212
_refine_ls_R_factor_gt           0.1137
_refine_ls_wR_factor_ref         0.2849
_refine_ls_wR_factor_gt          0.2791
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.116
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N001 N 0.60851(12) 0.32451(13) 0.0162(2) 0.0162(9) Uani 1 1 d . . . A 2
N002 N 0.62375(13) 0.50040(13) -0.1253(2) 0.0184(9) Uani 1 1 d . . . A 2
N003 N 0.60113(12) 0.59026(13) -0.0770(2) 0.0175(9) Uani 1 1 d . . . A 2
N004 N 0.57336(12) 0.31270(13) 0.1648(2) 0.0175(9) Uani 1 1 d . . . A 2
N005 N 0.53814(12) 0.36114(13) 0.2743(2) 0.0164(9) Uani 1 1 d . . . A 2
N006 N 0.51034(12) 0.55793(13) 0.2921(2) 0.0196(9) Uani 1 1 d . . . A 2
N007 N 0.53828(12) 0.63180(13) 0.1828(2) 0.0208(10) Uani 1 1 d . . . A 2
N008 N 0.56514(12) 0.64397(13) 0.0473(2) 0.0191(9) Uani 1 1 d . . . A 2
N009 N 0.95463(13) 0.63059(14) 0.2177(2) 0.0223(9) Uani 1 1 d . U . B 2
N00A N 0.50898(13) 0.45981(14) 0.3229(2) 0.0235(10) Uani 1 1 d . . . A 2
N00B N 0.62757(13) 0.39275(13) -0.0857(2) 0.0186(9) Uani 1 1 d . . . A 2
N00C N 0.92413(13) 0.68202(14) 0.3339(2) 0.0253(10) Uani 1 1 d . U . B 2
N00D N 0.89291(14) 0.67115(16) 0.4821(2) 0.0287(10) Uani 1 1 d . U . B 2
N00E N 0.97414(14) 0.53111(16) 0.1652(2) 0.0312(10) Uani 1 1 d . U . B 2
C00F C 0.56035(14) 0.36192(16) 0.1516(3) 0.0159(11) Uani 1 1 d . . . A 2
C00G C 0.56643(14) 0.38515(16) 0.0816(2) 0.0151(11) Uani 1 1 d . . . A 2
C00H C 0.54255(14) 0.38683(16) 0.2088(2) 0.0169(11) Uani 1 1 d . . . A 2
C00I C 0.59192(14) 0.37263(16) 0.0221(2) 0.0164(11) Uani 1 1 d . . . A 2
N00J N 0.95739(14) 0.36162(16) 0.3164(3) 0.0409(12) Uani 1 1 d . U . B 2
C00K C 0.58688(15) 0.45758(16) -0.0290(2) 0.0165(11) Uani 1 1 d . . . A 2
C00L C 0.55900(14) 0.46578(16) 0.0215(2) 0.0142(11) Uani 1 1 d . . . A 2
N00M N 0.97802(14) 0.43244(16) 0.2022(3) 0.0386(11) Uani 1 1 d . U . B 2
C00N C 0.58806(15) 0.54863(17) -0.0402(2) 0.0178(11) Uani 1 1 d . . . A 2
C00O C 0.53163(14) 0.45625(16) 0.1308(2) 0.0149(5) Uani 1 1 d . . . A 2
C00P C 0.60211(14) 0.40714(16) -0.0305(2) 0.0168(11) Uani 1 1 d . . . A 2
C00Q C 0.53108(14) 0.50617(16) 0.1138(2) 0.0149(5) Uani 1 1 d . . . A 2
C00R C 0.54906(14) 0.43082(16) 0.0749(2) 0.0135(10) Uani 1 1 d . . . A 2
C00S C 0.54786(14) 0.51180(16) 0.0468(2) 0.0149(5) Uani 1 1 d . . . A 2
C00T C 0.52935(14) 0.43786(16) 0.2007(3) 0.0167(11) Uani 1 1 d . . . A 2
C00U C 0.56339(14) 0.55485(16) 0.0219(2) 0.0149(5) Uani 1 1 d . . . A 2
N00V N 0.87936(16) 0.60310(18) 0.5930(2) 0.0373(11) Uani 1 1 d . U . B 2
N00W N 0.90578(15) 0.40631(18) 0.5852(3) 0.0416(12) Uani 1 1 d . U . . .
C00X C 0.51945(14) 0.47463(16) 0.2534(3) 0.0173(11) Uani 1 1 d . . . A 2
C00Y C 0.59966(14) 0.50223(17) -0.0643(2) 0.0167(11) Uani 1 1 d . . . A 2
C00Z C 0.54050(14) 0.58994(16) 0.1380(3) 0.0185(11) Uani 1 1 d . . . A 2
C010 C 0.51968(14) 0.52488(17) 0.2365(3) 0.0197(11) Uani 1 1 d . . . A 2
C011 C 0.52869(14) 0.54264(16) 0.1646(3) 0.0167(11) Uani 1 1 d . . . A 2
C012 C 0.56095(15) 0.36934(17) 0.3443(3) 0.0203(11) Uani 1 1 d . . . A 2
H012 H 0.5818 0.3945 0.3574 0.024 Uiso 1 1 calc R U . A 2
C013 C 0.59751(16) 0.29438(17) -0.0444(3) 0.0204(11) Uani 1 1 d . . . A 2
H013 H 0.5757 0.3007 -0.0858 0.024 Uiso 1 1 calc R U . A 2
C014 C 0.64217(16) 0.30330(17) 0.0636(3) 0.0227(12) Uani 1 1 d . . . A 2
H014 H 0.6564 0.3166 0.1090 0.027 Uiso 1 1 calc R U . A 2
C015 C 0.60597(16) 0.66437(17) 0.0443(3) 0.0242(12) Uani 1 1 d . . . A 2
H015 H 0.6333 0.6478 0.0521 0.029 Uiso 1 1 calc R U . A 2
C016 C 0.51176(16) 0.32060(17) 0.2773(3) 0.0243(12) Uani 1 1 d . . . A 2
H016 H 0.4930 0.3065 0.2368 0.029 Uiso 1 1 calc R U . A 2
C017 C 0.66741(16) 0.48922(17) -0.1245(3) 0.0232(12) Uani 1 1 d . . . A 2
H017 H 0.6869 0.4775 -0.0830 0.028 Uiso 1 1 calc R U . A 2
C018 C 0.55623(14) 0.59616(16) 0.0690(3) 0.0176(11) Uani 1 1 d . . . A 2
C019 C 0.46984(16) 0.56232(17) 0.3162(3) 0.0232(12) Uani 1 1 d . . . A 2
H019 H 0.4437 0.5454 0.2969 0.028 Uiso 1 1 calc R U . A 2
C01A C 0.60128(16) 0.29526(17) 0.2252(3) 0.0214(11) Uani 1 1 d . . . A 2
H01A H 0.6174 0.3144 0.2633 0.026 Uiso 1 1 calc R U . A 2
C01B C 0.64315(16) 0.60201(17) -0.0892(3) 0.0229(12) Uani 1 1 d . . . A 2
H01B H 0.6692 0.5848 -0.0707 0.028 Uiso 1 1 calc R U . A 2
C01C C 0.61337(18) 0.39624(18) -0.1616(3) 0.0271(13) Uani 1 1 d . . . A 2
H01C H 0.5865 0.4101 -0.1844 0.032 Uiso 1 1 calc R U . A 2
C01D C 0.57254(18) 0.62321(18) -0.1142(3) 0.0288(13) Uani 1 1 d . . . A 2
H01D H 0.5415 0.6230 -0.1161 0.035 Uiso 1 1 calc R U . A 2
C01E C 0.66788(17) 0.36996(17) -0.0744(3) 0.0261(12) Uani 1 1 d . . . A 2
H01E H 0.6847 0.3627 -0.0277 0.031 Uiso 1 1 calc R U . A 2
C01F C 0.60716(18) 0.51722(17) -0.1952(3) 0.0259(12) Uani 1 1 d . . . A 2
H01F H 0.5780 0.5282 -0.2106 0.031 Uiso 1 1 calc R U . A 2
C01G C 0.92924(17) 0.62626(19) 0.1494(3) 0.0272(12) Uani 1 1 d . U . B 2
H01G H 0.9068 0.6029 0.1359 0.033 Uiso 1 1 calc R U . B 2
C01H C 0.55576(16) 0.27359(17) 0.1225(3) 0.0234(12) Uani 1 1 d . . . A 2
H01H H 0.5353 0.2753 0.0781 0.028 Uiso 1 1 calc R U . A 2
C01I C 0.53995(17) 0.58768(18) 0.3349(3) 0.0267(12) Uani 1 1 d . . . A 2
H01I H 0.5702 0.5913 0.3305 0.032 Uiso 1 1 calc R U . A 2
C01J C 0.62329(17) 0.25413(18) -0.0343(3) 0.0275(12) Uani 1 1 d . . . A 2
H01J H 0.6225 0.2271 -0.0670 0.033 Uiso 1 1 calc R U . A 2
C01K C 0.50066(17) 0.65235(18) 0.2012(3) 0.0300(13) Uani 1 1 d . . . A 2
H01K H 0.4719 0.6394 0.1894 0.036 Uiso 1 1 calc R U . A 2
N01L N 0.88531(17) 0.4986(2) 0.6349(2) 0.0505(14) Uani 1 1 d . U . B 2
C01M C 0.51759(18) 0.30447(18) 0.3495(3) 0.0305(13) Uani 1 1 d . . . A 2
H01M H 0.5033 0.2774 0.3680 0.037 Uiso 1 1 calc R U . A 2
N01N N 0.93600(15) 0.35152(18) 0.4604(4) 0.0581(11) Uani 1 1 d . U . B 2
C01O C 0.53374(17) 0.67988(18) 0.0344(3) 0.0283(13) Uani 1 1 d . . . A 2
H01O H 0.5031 0.6759 0.0346 0.034 Uiso 1 1 calc R U . A 2
C01P C 0.54850(17) 0.33514(18) 0.3913(3) 0.0275(12) Uani 1 1 d . . . A 2
H01P H 0.5588 0.3325 0.4430 0.033 Uiso 1 1 calc R U . A 2
C01Q C 0.90491(18) 0.7004(2) 0.5438(3) 0.0339(13) Uani 1 1 d . U . B 2
H01Q H 0.9281 0.6942 0.5832 0.041 Uiso 1 1 calc R U . B 2
C01R C 0.47424(18) 0.59557(18) 0.3733(3) 0.0289(13) Uani 1 1 d . . . A 2
H01R H 0.4517 0.6062 0.4001 0.035 Uiso 1 1 calc R U . A 2
C01S C 0.60181(17) 0.24609(19) 0.2208(3) 0.0296(13) Uani 1 1 d . . . A 2
H01S H 0.6185 0.2247 0.2549 0.035 Uiso 1 1 calc R U . A 2
C01T C 0.57303(18) 0.23238(18) 0.1561(3) 0.0300(13) Uani 1 1 d . . . A 2
H01T H 0.5669 0.2001 0.1391 0.036 Uiso 1 1 calc R U . A 2
C01U C 0.51830(18) 0.61090(19) 0.3846(3) 0.0310(13) Uani 1 1 d . . . A 2
H01U H 0.5308 0.6337 0.4208 0.037 Uiso 1 1 calc R U . A 2
C01V C 0.65140(17) 0.25989(19) 0.0338(3) 0.0310(13) Uani 1 1 d . . . A 2
H01V H 0.6730 0.2373 0.0551 0.037 Uiso 1 1 calc R U . A 2
C01W C 0.57319(17) 0.66185(18) 0.2082(3) 0.0290(13) Uani 1 1 d . . . A 2
H01W H 0.6031 0.6568 0.2024 0.035 Uiso 1 1 calc R U . A 2
C01X C 0.47516(17) 0.42840(19) 0.3322(3) 0.0337(14) Uani 1 1 d . . . A 2
H01X H 0.4566 0.4122 0.2935 0.040 Uiso 1 1 calc R U . A 2
C01Y C 0.89559(18) 0.69913(19) 0.2747(3) 0.0303(12) Uani 1 1 d . U . B 2
H01Y H 0.8777 0.6799 0.2389 0.036 Uiso 1 1 calc R U . B 2
C01Z C 0.67784(19) 0.49794(19) -0.1936(3) 0.0326(14) Uani 1 1 d . . . A 2
H01Z H 0.7058 0.4931 -0.2090 0.039 Uiso 1 1 calc R U . A 2
C020 C 0.60013(18) 0.71254(18) 0.0280(3) 0.0324(13) Uani 1 1 d . . . A 2
H020 H 0.6225 0.7354 0.0221 0.039 Uiso 1 1 calc R U . A 2
C021 C 0.95206(17) 0.6029(2) 0.2824(3) 0.0366(13) Uani 1 1 d . U . B 2
C022 C 0.98301(17) 0.66929(19) 0.2155(3) 0.0326(12) Uani 1 1 d . U . B 2
H022 H 1.0039 0.6806 0.2555 0.039 Uiso 1 1 calc R U . B 2
C023 C 0.64074(19) 0.64268(19) -0.1323(3) 0.0349(14) Uani 1 1 d . . . A 2
H023 H 0.6647 0.6590 -0.1489 0.042 Uiso 1 1 calc R U . A 2
C024 C 0.59587(18) 0.6561(2) -0.1479(3) 0.0375(14) Uani 1 1 d . . . A 2
H024 H 0.5843 0.6831 -0.1767 0.045 Uiso 1 1 calc R U . A 2
C025 C 0.85784(18) 0.6925(2) 0.4382(3) 0.0359(13) Uani 1 1 d . U . B 2
H025 H 0.8430 0.6802 0.3925 0.043 Uiso 1 1 calc R U . B 2
C026 C 0.9477(2) 0.5143(2) 0.1022(3) 0.0385(13) Uani 1 1 d . U . B 2
H026 H 0.9224 0.4944 0.1014 0.046 Uiso 1 1 calc R U . B 2
C027 C 1.00775(18) 0.55865(19) 0.1433(3) 0.0354(13) Uani 1 1 d . U . B 2
H027 H 1.0307 0.5745 0.1749 0.042 Uiso 1 1 calc R U . B 2
C028 C 0.6792(2) 0.35977(19) -0.1431(3) 0.0362(14) Uani 1 1 d . . . A 2
H028 H 0.7055 0.3444 -0.1525 0.043 Uiso 1 1 calc R U . A 2
C029 C 0.96483(17) 0.5352(2) 0.3636(3) 0.0412(14) Uani 1 1 d . U . B 2
C02A C 0.55447(19) 0.72219(19) 0.0213(3) 0.0377(15) Uani 1 1 d . . . A 2
H02A H 0.5407 0.7527 0.0098 0.045 Uiso 1 1 calc R U . A 2
C02B C 0.6449(2) 0.37615(19) -0.1972(3) 0.0385(15) Uani 1 1 d . . . A 2
H02B H 0.6440 0.3736 -0.2496 0.046 Uiso 1 1 calc R U . A 2
C02C C 0.94194(18) 0.6614(2) 0.1043(3) 0.0355(13) Uani 1 1 d . U . B 2
H02C H 0.9301 0.6667 0.0538 0.043 Uiso 1 1 calc R U . B 2
C02D C 0.63978(19) 0.51537(19) -0.2380(3) 0.0339(14) Uani 1 1 d . . . A 2
H02D H 0.6374 0.5242 -0.2890 0.041 Uiso 1 1 calc R U . A 2
C02E C 0.97556(19) 0.6883(2) 0.1456(3) 0.0399(14) Uani 1 1 d . U . B 2
H02E H 0.9906 0.7151 0.1280 0.048 Uiso 1 1 calc R U . B 2
C02F C 0.9483(2) 0.4016(2) 0.1619(4) 0.0460(15) Uani 1 1 d . U . B 2
H02F H 0.9187 0.3968 0.1696 0.055 Uiso 1 1 calc R U . B 2
C02G C 0.95363(17) 0.4823(2) 0.4467(3) 0.0423(7) Uani 1 1 d . U . B 2
C02H C 0.9186(2) 0.4435(3) 0.5421(4) 0.0529(12) Uani 1 1 d . U . B 2
C02I C 0.5286(2) 0.47580(19) 0.3917(3) 0.0399(15) Uani 1 1 d . . . A 2
H02I H 0.5525 0.4978 0.4013 0.048 Uiso 1 1 calc R U . A 2
C02J C 1.01677(19) 0.4302(2) 0.1732(3) 0.0406(14) Uani 1 1 d . U . B 2
H02J H 1.0427 0.4482 0.1895 0.049 Uiso 1 1 calc R U . B 2
C02K C 0.95080(17) 0.5621(2) 0.4187(4) 0.0423(7) Uani 1 1 d . U . B 2
C02L C 0.94299(17) 0.5269(2) 0.4759(3) 0.0423(7) Uani 1 1 d . U . B 2
C02M C 0.93598(18) 0.6314(2) 0.3472(3) 0.0445(15) Uani 1 1 d . U . B 2
C02N C 0.5112(2) 0.6939(2) 0.2387(4) 0.0437(16) Uani 1 1 d . . . A 2
H02N H 0.4915 0.7151 0.2585 0.052 Uiso 1 1 calc R U . A 2
C02O C 0.96337(18) 0.5544(2) 0.2897(4) 0.0453(14) Uani 1 1 d . U . B 2
C02P C 0.91067(18) 0.6226(2) 0.4748(3) 0.0476(15) Uani 1 1 d . U . B 2
C02Q C 0.96621(17) 0.4881(2) 0.3809(4) 0.0423(7) Uani 1 1 d . U . B 2
C02R C 0.4731(2) 0.4247(2) 0.4058(4) 0.0496(18) Uani 1 1 d . . . A 2
H02R H 0.4526 0.4059 0.4282 0.060 Uiso 1 1 calc R U . A 2
N02S N 0.7477(2) 0.3029(2) 0.4085(4) 0.0724(16) Uani 1 1 d . U . . .
C02T C 0.5570(2) 0.6998(2) 0.2429(3) 0.0416(15) Uani 1 1 d . . . A 2
H02T H 0.5736 0.7261 0.2662 0.050 Uiso 1 1 calc R U . A 2
C02U C 0.9444(2) 0.7209(2) 0.3721(3) 0.0428(14) Uani 1 1 d . U . B 2
H02U H 0.9659 0.7193 0.4152 0.051 Uiso 1 1 calc R U . B 2
C02V C 0.87791(19) 0.7389(2) 0.5380(3) 0.0408(14) Uani 1 1 d . U . B 2
H02V H 0.8787 0.7649 0.5725 0.049 Uiso 1 1 calc R U . B 2
C02W C 0.84839(19) 0.7341(2) 0.4720(3) 0.0417(14) Uani 1 1 d . U . B 2
H02W H 0.8256 0.7563 0.4542 0.050 Uiso 1 1 calc R U . B 2
C02X C 0.9680(2) 0.3795(2) 0.1101(4) 0.0525(16) Uani 1 1 d . U . B 2
H02X H 0.9551 0.3560 0.0753 0.063 Uiso 1 1 calc R U . B 2
C02Y C 1.0015(2) 0.5585(2) 0.0675(3) 0.0451(14) Uani 1 1 d . U . B 2
H02Y H 1.0195 0.5744 0.0368 0.054 Uiso 1 1 calc R U . B 2
C02Z C 0.96945(18) 0.5192(2) 0.2376(4) 0.0468(15) Uani 1 1 d . U . B 2
C030 C 0.9173(2) 0.5372(3) 0.5314(4) 0.0537(16) Uani 1 1 d . U . B 2
C031 C 0.93239(19) 0.6092(2) 0.4152(3) 0.0452(15) Uani 1 1 d . U . B 2
C032 C 0.95711(18) 0.4049(2) 0.3558(4) 0.0491(15) Uani 1 1 d . U . B 2
C033 C 0.5070(3) 0.4538(2) 0.4434(3) 0.056(2) Uani 1 1 d . . . A 2
H033 H 0.5137 0.4574 0.4957 0.068 Uiso 1 1 calc R U . A 2
C034 C 0.8391(2) 0.6253(2) 0.5832(3) 0.0461(15) Uani 1 1 d . U . B 2
H034 H 0.8204 0.6302 0.5375 0.055 Uiso 1 1 calc R U . B 2
C035 C 0.9641(2) 0.5311(2) 0.0426(4) 0.0486(15) Uani 1 1 d . U . B 2
H035 H 0.9523 0.5254 -0.0079 0.058 Uiso 1 1 calc R U . B 2
C036 C 0.8975(2) 0.7486(2) 0.2762(4) 0.0454(14) Uani 1 1 d . U . B 2
H036 H 0.8810 0.7701 0.2420 0.055 Uiso 1 1 calc R U . B 2
C037 C 0.90261(19) 0.5860(2) 0.5350(4) 0.0489(15) Uani 1 1 d . U . B 2
C038 C 0.9932(2) 0.3394(2) 0.2931(4) 0.0511(15) Uani 1 1 d . U . B 2
H038 H 1.0223 0.3518 0.2991 0.061 Uiso 1 1 calc R U . B 2
C03A C 1.0111(2) 0.3971(2) 0.1163(4) 0.0489(15) Uani 1 1 d . U . B 2
H03A H 1.0326 0.3877 0.0864 0.059 Uiso 1 1 calc R U . B 2
C03B C 0.96624(18) 0.4489(2) 0.3267(4) 0.0514(16) Uani 1 1 d . U . B 2
C03C C 0.97086(19) 0.4649(3) 0.2577(4) 0.0519(16) Uani 1 1 d . U . B 2
C03D C 0.8425(2) 0.5091(3) 0.6403(3) 0.0537(16) Uani 1 1 d . U . B 2
H03D H 0.8210 0.5211 0.6017 0.064 Uiso 1 1 calc R U . B 2
C03E C 0.8970(3) 0.6030(3) 0.6672(4) 0.0610(17) Uani 1 1 d . U . B 2
H03E H 0.9247 0.5901 0.6879 0.073 Uiso 1 1 calc R U . B 2
C03F C 0.9062(2) 0.4825(3) 0.7025(3) 0.0570(17) Uani 1 1 d . U . B 2
H03F H 0.9361 0.4730 0.7135 0.068 Uiso 1 1 calc R U . B 2
C52 C 0.7457(3) 0.4666(3) 0.4488(4) 0.0623(17) Uani 1 1 d . U . C 1
C03I C 0.9281(2) 0.7616(2) 0.3373(4) 0.0522(15) Uani 1 1 d . U . B 2
H03I H 0.9363 0.7939 0.3519 0.063 Uiso 1 1 calc R U . B 2
C43 C 0.8031(3) 0.3861(3) 0.3051(5) 0.076(2) Uani 1 1 d . U . C 1
C03K C 0.8969(2) 0.3293(2) 0.4688(4) 0.0594(17) Uani 1 1 d . U . B 2
H03K H 0.8690 0.3447 0.4660 0.071 Uiso 1 1 calc R U . B 2
C03L C 0.9213(2) 0.3319(2) 0.2985(5) 0.0611(17) Uani 1 1 d . U . B 2
H03L H 0.8924 0.3379 0.3091 0.073 Uiso 1 1 calc R U . B 2
C8 C 0.7963(3) 0.5766(2) 0.1461(4) 0.0620(17) Uani 1 1 d . U . C 1
C03N C 0.9077(2) 0.4944(3) 0.5670(4) 0.0529(12) Uani 1 1 d . U . B 2
C03O C 0.9689(2) 0.3173(3) 0.4672(5) 0.0691(18) Uani 1 1 d . U . B 2
H03O H 0.9989 0.3231 0.4632 0.083 Uiso 1 1 calc R U . B 2
C57 C 0.7008(3) 0.4600(3) 0.4178(4) 0.0595(17) Uani 1 1 d . U . C 1
C03Q C 0.9385(2) 0.4380(3) 0.4779(4) 0.0559(16) Uani 1 1 d . U . B 2
C58 C 0.6982(3) 0.4156(3) 0.3771(5) 0.0665(18) Uani 1 1 d . U . C 1
C22 C 0.7558(3) 0.3778(2) 0.1939(5) 0.0730(19) Uani 1 1 d . U . C 1
C03T C 0.8631(2) 0.3984(3) 0.6017(4) 0.0561(16) Uani 1 1 d . U . . .
C03U C 0.8766(3) 0.4826(3) 0.7504(4) 0.0663(18) Uani 1 1 d . U . B 2
H03U H 0.8820 0.4732 0.8012 0.080 Uiso 1 1 calc R U . B 2
C13 C 0.8212(3) 0.4934(3) 0.1291(4) 0.0640(18) Uani 1 1 d . U . C 1
C7 C 0.8249(3) 0.5799(3) 0.2127(5) 0.0680(18) Uani 1 1 d . U . C 1
C36 C 0.6739(3) 0.4996(3) 0.3935(5) 0.0677(18) Uani 1 1 d . U . C 1
C12 C 0.7947(3) 0.5324(3) 0.1029(4) 0.0608(17) Uani 1 1 d . U . C 1
C51 C 0.7622(3) 0.5141(3) 0.4547(4) 0.075(2) Uani 1 1 d . U . C 1
C9 C 0.7523(3) 0.5969(3) 0.1428(4) 0.0706(19) Uani 1 1 d . U . C 1
C14 C 0.8499(2) 0.4978(3) 0.1974(5) 0.074(2) Uani 1 1 d . U . C 1
C18 C 0.8236(3) 0.4204(3) 0.1918(5) 0.075(2) Uani 1 1 d . U . C 1
C20 C 0.7627(3) 0.4372(3) 0.0940(4) 0.0724(19) Uani 1 1 d . U . C 1
C11 C 0.7491(3) 0.5253(3) 0.0725(4) 0.0710(19) Uani 1 1 d . U . C 1
C53 C 0.7329(3) 0.5551(3) 0.4293(4) 0.0736(19) Uani 1 1 d . U . C 1
C046 C 0.9052(2) 0.2812(3) 0.4816(5) 0.0692(18) Uani 1 1 d . U . B 2
H046 H 0.8842 0.2572 0.4896 0.083 Uiso 1 1 calc R U . B 2
C47 C 0.7713(3) 0.4283(3) 0.4266(4) 0.0679(18) Uani 1 1 d . U . C 1
C5 C 0.7689(4) 0.6217(2) 0.2708(5) 0.079(2) Uani 1 1 d . U . C 1
C15 C 0.8521(2) 0.5389(3) 0.2392(5) 0.075(2) Uani 1 1 d . U . C 1
C04A C 0.8364(3) 0.4991(3) 0.7124(4) 0.0628(17) Uani 1 1 d . U . B 2
H04A H 0.8098 0.5027 0.7327 0.075 Uiso 1 1 calc R U . B 2
C19 C 0.8050(3) 0.4448(3) 0.1250(5) 0.0734(19) Uani 1 1 d . U . C 1
C6 C 0.8105(3) 0.6027(3) 0.2773(5) 0.078(2) Uani 1 1 d . U . C 1
C04D C 0.8310(3) 0.6392(3) 0.6531(4) 0.0690(18) Uani 1 1 d . U . B 2
H04D H 0.8057 0.6554 0.6650 0.083 Uiso 1 1 calc R U . B 2
C23 C 0.7285(4) 0.3693(3) 0.2532(5) 0.084(2) Uani 1 1 d . U . C 1
C04F C 0.94312(19) 0.3984(2) 0.4343(5) 0.0581(11) Uani 1 1 d . U . B 2
C1 C 0.7406(3) 0.6189(2) 0.2040(5) 0.0764(19) Uani 1 1 d . U . C 1
C04H C 0.9388(5) 0.3684(6) 0.6092(9) 0.051(2) Uani 0.515(11) 1 d . U P B -1
H04H H 0.9690 0.3674 0.6029 0.061 Uiso 0.515(11) 1 calc R U P B -1
C10 C 0.7233(3) 0.5640(3) 0.0950(4) 0.079(2) Uani 1 1 d . U . C 1
C35 C 0.6915(3) 0.5485(3) 0.3976(5) 0.080(2) Uani 1 1 d . U . C 1
C60 C 0.7412(3) 0.3873(3) 0.3923(4) 0.0701(17) Uani 1 1 d . U . . .
C04N C 0.8684(3) 0.6241(3) 0.7038(5) 0.079(2) Uani 1 1 d . U . B 2
H04N H 0.8720 0.6287 0.7562 0.095 Uiso 1 1 calc R U . B 2
C24 C 0.6874(3) 0.3872(3) 0.2465(5) 0.090(2) Uani 1 1 d . U . C 1
C04Q C 0.9506(3) 0.2733(3) 0.4809(5) 0.078(2) Uani 1 1 d . U . B 2
H04Q H 0.9656 0.2432 0.4885 0.094 Uiso 1 1 calc R U . B 2
C45 C 0.8535(2) 0.4519(4) 0.3140(6) 0.082(2) Uani 1 1 d . U . C 1
C44 C 0.8274(3) 0.4167(4) 0.3503(5) 0.084(2) Uani 1 1 d . U . C 1
C42 C 0.7985(3) 0.3870(3) 0.2263(5) 0.081(2) Uani 1 1 d . U . C 1
C04U C 0.9796(3) 0.2967(3) 0.2600(5) 0.0757(19) Uani 1 1 d . U . B 2
H04U H 0.9975 0.2740 0.2388 0.091 Uiso 1 1 calc R U . B 2
C40 C 0.6704(3) 0.4123(3) 0.3104(6) 0.082(2) Uani 1 1 d . U . C 1
C48 C 0.8289(3) 0.4881(4) 0.4155(5) 0.084(2) Uani 1 1 d . U . C 1
C4 C 0.7414(4) 0.6149(3) 0.3313(5) 0.082(2) Uani 1 1 d . U . C 1
C21 C 0.7375(3) 0.4010(3) 0.1304(5) 0.081(2) Uani 1 1 d . U . C 1
C34 C 0.6716(3) 0.5727(3) 0.3331(6) 0.090(2) Uani 1 1 d . U . C 1
C37 C 0.6450(2) 0.4948(4) 0.3259(6) 0.083(2) Uani 1 1 d . U . C 1
C30 C 0.6673(3) 0.5757(4) 0.1722(6) 0.092(2) Uani 1 1 d . U . C 1
C50 C 0.8036(3) 0.5250(4) 0.4379(4) 0.083(2) Uani 1 1 d . U . C 1
C053 C 0.8185(3) 0.3834(4) -0.1486(6) 0.090(3) Uani 1 1 d . . . D 2
H053 H 0.8095 0.3570 -0.1809 0.107 Uiso 1 1 calc R U . D 2
C17 C 0.8517(3) 0.4518(3) 0.2392(6) 0.081(2) Uani 1 1 d . U . C 1
C38 C 0.6428(2) 0.4540(4) 0.2828(6) 0.091(2) Uani 1 1 d . U . C 1
C16 C 0.8533(2) 0.5395(4) 0.3197(5) 0.086(2) Uani 1 1 d . U . C 1
C26 C 0.6938(3) 0.4189(3) 0.1228(5) 0.087(2) Uani 1 1 d . U . C 1
C55 C 0.8033(3) 0.5709(3) 0.4006(4) 0.081(2) Uani 1 1 d . U . C 1
C059 C 0.7878(3) 0.4219(4) -0.1403(6) 0.095(3) Uani 1 1 d . . . D 2
H059 H 0.7590 0.4211 -0.1675 0.114 Uiso 1 1 calc R U . D 2
C39 C 0.6422(3) 0.4498(4) 0.2038(6) 0.099(2) Uani 1 1 d . U . C 1
C05B C 0.8606(3) 0.3841(4) -0.1105(6) 0.101(4) Uani 1 1 d . . . D 2
C61 C 0.7510(9) 0.3465(10) 0.4601(14) 0.063(4) Uani 0.394(7) 1 d . U P C -1
H61A H 0.7806 0.3501 0.4894 0.076 Uiso 0.394(7) 1 calc R U P C -1
H61B H 0.7283 0.3464 0.4935 0.076 Uiso 0.394(7) 1 calc R U P C -1
C49 C 0.8541(2) 0.4954(4) 0.3559(5) 0.090(2) Uani 1 1 d . U . C 1
C05E C 0.9346(3) 0.2925(3) 0.2629(6) 0.082(2) Uani 1 1 d . U . B 2
H05E H 0.9164 0.2664 0.2432 0.099 Uiso 1 1 calc R U . B 2
C33 C 0.6433(3) 0.5423(4) 0.2827(6) 0.095(2) Uani 1 1 d . U . C 1
C41 C 0.7331(3) 0.4765(3) 0.0671(4) 0.081(2) Uani 1 1 d . U . C 1
C54 C 0.7596(4) 0.5905(3) 0.3933(5) 0.085(2) Uani 1 1 d . U . C 1
C59 C 0.7557(3) 0.3633(3) 0.3233(5) 0.0805(18) Uani 1 1 d . U . . .
C31 C 0.6402(3) 0.5398(4) 0.2071(6) 0.095(2) Uani 1 1 d . U . C 1
C56 C 0.8279(3) 0.5772(4) 0.3428(5) 0.085(2) Uani 1 1 d . U . C 1
C2 C 0.6933(3) 0.6074(3) 0.2191(6) 0.090(2) Uani 1 1 d . U . C 1
C3 C 0.6982(4) 0.6078(3) 0.2967(6) 0.093(2) Uani 1 1 d . U . C 1
C29 C 0.6818(3) 0.5547(4) 0.1135(5) 0.094(2) Uani 1 1 d . U . C 1
C05U C 0.8713(3) 0.4237(5) -0.0589(5) 0.095(3) Uani 1 1 d . . . D 2
H05U H 0.8992 0.4243 -0.0287 0.114 Uiso 1 1 calc R U . D 2
C32 C 0.6402(3) 0.4951(5) 0.1654(6) 0.104(3) Uani 1 1 d . U . C 1
C05W C 0.8416(4) 0.4608(5) -0.0528(5) 0.107(4) Uani 1 1 d . . . D 2
H05W H 0.8500 0.4872 -0.0202 0.129 Uiso 1 1 calc R U . D 2
C05Y C 0.8005(3) 0.4600(5) -0.0929(6) 0.103(3) Uani 1 1 d . . . D 2
H05Y H 0.7806 0.4858 -0.0882 0.123 Uiso 1 1 calc R U . D 2
C27 C 0.6912(3) 0.4650(4) 0.0848(5) 0.090(2) Uani 1 1 d . U . C 1
C46 C 0.8122(3) 0.4378(4) 0.4095(5) 0.082(2) Uani 1 1 d . U . C 1
C28 C 0.6661(3) 0.5016(4) 0.1053(5) 0.099(3) Uani 1 1 d . U . C 1
C25 C 0.6687(3) 0.4134(4) 0.1814(6) 0.094(2) Uani 1 1 d . U . C 1
C067 C 0.8932(4) 0.3469(4) -0.1170(7) 0.126(4) Uani 1 1 d . . . D 2
H06A H 0.8790 0.3188 -0.1436 0.189 Uiso 1 1 calc R U . D 2
H06B H 0.9069 0.3368 -0.0673 0.189 Uiso 1 1 calc R U . D 2
H06C H 0.9158 0.3598 -0.1446 0.189 Uiso 1 1 calc R U . D 2
C0AA C 0.7501(3) 0.2560(3) 0.4460(5) 0.081(2) Uani 1 1 d . U . . .
H0AA H 0.7268 0.2551 0.4785 0.098 Uiso 1 1 calc R U . . .
H0AB H 0.7430 0.2305 0.4078 0.098 Uiso 1 1 calc R U . . .
C1AA C 0.7907(3) 0.2435(3) 0.4899(6) 0.100(3) Uani 1 1 d . U . . .
H1AA H 0.7975 0.2691 0.5282 0.120 Uiso 1 1 calc R U . . .
H1AB H 0.8138 0.2450 0.4573 0.120 Uiso 1 1 calc R U . . .
C2AA C 0.7946(3) 0.1946(3) 0.5294(5) 0.098(3) Uani 1 1 d . U . . .
H2AA H 0.7739 0.1942 0.5663 0.118 Uiso 1 1 calc R U . . .
H2AB H 0.7852 0.1690 0.4923 0.118 Uiso 1 1 calc R U . . .
C3AA C 0.8373(4) 0.1825(4) 0.5666(6) 0.121(4) Uani 1 1 d . U . . .
H3AA H 0.8576 0.1792 0.5300 0.182 Uiso 1 1 calc R U . . .
H3AB H 0.8359 0.1518 0.5934 0.182 Uiso 1 1 calc R U . . .
H3AC H 0.8478 0.2083 0.6020 0.182 Uiso 1 1 calc R U . . .
C5AA C 0.7267(3) 0.2532(4) 0.2685(7) 0.059(2) Uani 0.606(7) 1 d D U P C 1
H5AA H 0.7012 0.2624 0.2892 0.071 Uiso 0.606(7) 1 calc R U P C 1
C8AA C 0.7235(4) 0.2216(5) 0.2116(7) 0.072(3) Uani 0.606(7) 1 d D U P C 1
H8AA H 0.6957 0.2082 0.1926 0.087 Uiso 0.606(7) 1 calc R U P C 1
C9AA C 0.7517(6) 0.2294(8) 0.1558(11) 0.080(3) Uani 0.394(7) 1 d D U P C -1
H9AA H 0.7338 0.2201 0.1111 0.096 Uiso 0.394(7) 1 calc R U P C -1
C4AA C 0.7366(7) 0.3048(6) 0.3229(11) 0.060(2) Uani 0.394(7) 1 d . U P C -1
H4AA H 0.7041 0.3037 0.3071 0.072 Uiso 0.394(7) 1 calc R U P C -1
N0BA N 0.8000(4) 0.2254(4) 0.2101(7) 0.085(2) Uani 0.606(7) 1 d D U P C 1
C1BA C 0.7727(5) 0.3087(4) 0.3597(7) 0.059(2) Uani 0.606(7) 1 d . U P C 1
H1BA H 0.8041 0.3105 0.3835 0.071 Uiso 0.606(7) 1 calc R U P C 1
C4BA C 0.7961(7) 0.2197(8) 0.1652(12) 0.088(3) Uani 0.394(7) 1 d D U P C -1
H4BA H 0.8086 0.2024 0.1282 0.106 Uiso 0.394(7) 1 calc R U P C -1
C2BA C 0.7327(5) 0.2528(8) 0.2114(12) 0.072(3) Uani 0.394(7) 1 d D U P C -1
H2BA H 0.7017 0.2553 0.2076 0.086 Uiso 0.394(7) 1 calc R U P C -1
N5BA N 0.8237(5) 0.2362(7) 0.2319(11) 0.086(3) Uani 0.394(7) 1 d D U P C -1
C3BA C 0.7596(5) 0.2086(5) 0.1808(8) 0.083(3) Uani 0.606(7) 1 d D U P C 1
H3BA H 0.7566 0.1877 0.1388 0.100 Uiso 0.606(7) 1 calc R U P C 1
C7BA C 0.8047(7) 0.2609(11) 0.2850(12) 0.071(3) Uani 0.394(7) 1 d D U P C -1
H7BA H 0.8224 0.2700 0.3302 0.086 Uiso 0.394(7) 1 calc R U P C -1
C6BA C 0.7600(7) 0.2729(9) 0.2738(11) 0.062(2) Uani 0.394(7) 1 d D U P C -1
C8BA C 0.8035(4) 0.2586(7) 0.2662(8) 0.066(2) Uani 0.606(7) 1 d D U P C 1
H8BA H 0.8313 0.2723 0.2842 0.079 Uiso 0.606(7) 1 calc R U P C 1
C80 C 0.7676(4) 0.2724(5) 0.2969(6) 0.060(2) Uani 0.606(7) 1 d D U P C 1
C9BA C 0.7344(6) 0.3413(7) 0.4395(10) 0.077(3) Uani 0.606(7) 1 d . U P C 1
H9BA H 0.7510 0.3449 0.4900 0.092 Uiso 0.606(7) 1 calc R U P C 1
H9BB H 0.7029 0.3378 0.4441 0.092 Uiso 0.606(7) 1 calc R U P C 1
C6AA C 0.8718(5) 0.3473(6) 0.6360(9) 0.061(2) Uani 0.515(11) 1 d . U P B -1
H6AA H 0.8494 0.3271 0.6504 0.073 Uiso 0.515(11) 1 calc R U P B -1
C7AA C 0.9061(5) 0.3556(6) 0.6818(10) 0.059(2) Uani 0.485(11) 1 d . U P B 1
H7AA H 0.9167 0.3328 0.7194 0.070 Uiso 0.485(11) 1 calc R U P B 1
C0BA C 0.9147(5) 0.3345(6) 0.6435(8) 0.059(2) Uani 0.515(11) 1 d . U P B -1
H0BA H 0.9267 0.3062 0.6686 0.071 Uiso 0.515(11) 1 calc R U P B -1
C0CA C 0.8628(5) 0.3709(7) 0.6618(9) 0.061(2) Uani 0.485(11) 1 d . U P B 1
H0CA H 0.8382 0.3634 0.6860 0.074 Uiso 0.485(11) 1 calc R U P B 1
C5BA C 0.9305(5) 0.3799(6) 0.6362(9) 0.047(2) Uani 0.485(11) 1 d . U P B 1
H5BA H 0.9616 0.3781 0.6406 0.056 Uiso 0.485(11) 1 calc R U P B 1


_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
N001 C014 1.377(6) . ?
N001 C013 1.380(6) . ?
N001 C00I 1.430(6) . ?
N002 C017 1.376(6) . ?
N002 C01F 1.379(6) . ?
N002 C00Y 1.420(6) . ?
N003 C01D 1.372(6) . ?
N003 C01B 1.381(6) . ?
N003 C00N 1.415(6) . ?
N004 C01A 1.378(6) . ?
N004 C01H 1.388(6) . ?
N004 C00F 1.424(6) . ?
N005 C012 1.379(6) . ?
N005 C016 1.386(6) . ?
N005 C00H 1.409(6) . ?
N006 C01I 1.379(6) . ?
N006 C019 1.384(6) . ?
N006 C010 1.420(6) . ?
N007 C01K 1.372(6) . ?
N007 C01W 1.381(7) . ?
N007 C00Z 1.419(6) . ?
N008 C01O 1.379(6) . ?
N008 C015 1.384(6) . ?
N008 C018 1.413(6) . ?
N009 C01G 1.374(6) . ?
N009 C022 1.382(7) . ?
N009 C021 1.413(7) . ?
N00A C02I 1.380(7) . ?
N00A C01X 1.382(7) . ?
N00A C00X 1.409(6) . ?
N00B C01E 1.378(6) . ?
N00B C01C 1.388(6) . ?
N00B C00P 1.415(6) . ?
N00C C01Y 1.370(7) . ?
N00C C02U 1.375(7) . ?
N00C C02M 1.454(8) . ?
N00D C025 1.378(7) . ?
N00D C01Q 1.386(7) . ?
N00D C02P 1.458(8) . ?
N00E C02Z 1.385(8) . ?
N00E C026 1.385(7) . ?
N00E C027 1.386(7) . ?
C00F C00H 1.419(7) . ?
C00F C00G 1.461(7) . ?
C00G C00R 1.365(6) . ?
C00G C00I 1.466(7) . ?
C00H C00T 1.464(7) . ?
C00I C00P 1.415(7) . ?
N00J C038 1.379(8) . ?
N00J C03L 1.380(8) . ?
N00J C032 1.391(8) . ?
C00K C00L 1.362(7) . ?
C00K C00Y 1.467(7) . ?
C00K C00P 1.468(7) . ?
C00L C00S 1.407(7) . ?
C00L C00R 1.431(6) . ?
N00M C02J 1.372(7) . ?
N00M C02F 1.380(8) . ?
N00M C03C 1.390(8) . ?
C00N C00Y 1.414(7) . ?
C00N C00U 1.458(7) . ?
C00O C00T 1.379(7) . ?
C00O C00R 1.403(7) . ?
C00O C00Q 1.409(7) . ?
C00Q C011 1.374(7) . ?
C00Q C00S 1.398(7) . ?
C00S C00U 1.379(6) . ?
C00T C00X 1.456(7) . ?
C00U C018 1.459(7) . ?
N00V C034 1.370(8) . ?
N00V C03E 1.379(8) . ?
N00V C037 1.435(8) . ?
N00W C5BA 1.327(15) . ?
N00W C02H 1.380(7) . ?
N00W C03T 1.404(8) . ?
N00W C04H 1.479(16) . ?
C00X C010 1.418(7) . ?
C00Z C018 1.418(7) . ?
C00Z C011 1.454(7) . ?
C010 C011 1.458(7) . ?
C012 C01P 1.363(7) . ?
C013 C01J 1.360(7) . ?
C014 C01V 1.359(7) . ?
C015 C020 1.365(7) . ?
C016 C01M 1.371(7) . ?
C017 C01Z 1.362(7) . ?
C019 C01R 1.375(7) . ?
C01A C01S 1.357(7) . ?
C01B C023 1.363(7) . ?
C01C C02B 1.360(8) . ?
C01D C024 1.355(8) . ?
C01E C028 1.373(8) . ?
C01F C02D 1.357(8) . ?
C01G C02C 1.360(8) . ?
C01H C01T 1.360(7) . ?
C01I C01U 1.356(7) . ?
C01J C01V 1.412(8) . ?
C01K C02N 1.346(8) . ?
N01L C03D 1.366(9) . ?
N01L C03F 1.375(8) . ?
N01L C03N 1.501(9) . ?
C01M C01P 1.410(8) . ?
N01N C03O 1.374(8) . ?
N01N C03K 1.378(8) . ?
N01N C04F 1.403(8) . ?
C01O C02A 1.366(8) . ?
C01Q C02V 1.343(8) . ?
C01R C01U 1.406(8) . ?
C01S C01T 1.417(8) . ?
C01W C02T 1.353(8) . ?
C01X C02R 1.354(8) . ?
C01Y C036 1.364(8) . ?
C01Z C02D 1.407(8) . ?
C020 C02A 1.417(8) . ?
C021 C02O 1.381(9) . ?
C021 C02M 1.553(9) . ?
C022 C02E 1.363(8) . ?
C023 C024 1.417(8) . ?
C025 C02W 1.353(8) . ?
C026 C035 1.342(9) . ?
C027 C02Y 1.362(8) . ?
C028 C02B 1.408(9) . ?
C029 C02Q 1.333(9) . ?
C029 C02K 1.364(9) . ?
C029 C02O 1.440(9) . ?
C02C C02E 1.399(8) . ?
C02F C02X 1.336(9) . ?
C02G C02Q 1.319(9) . ?
C02G C02L 1.394(9) . ?
C02G C03Q 1.450(9) . ?
C02H C03Q 1.402(10) . ?
C02H C03N 1.527(10) . ?
C02I C033 1.369(9) . ?
C02J C03A 1.370(9) . ?
C02K C031 1.414(9) . ?
C02K C02L 1.467(9) . ?
C02L C030 1.398(9) . ?
C02M C031 1.396(9) . ?
C02N C02T 1.407(9) . ?
C02O C02Z 1.387(9) . ?
C02P C031 1.402(9) . ?
C02P C037 1.534(10) . ?
C02Q C03B 1.463(10) . ?
C02R C033 1.410(10) . ?
N02S C1BA 1.264(13) . ?
N02S C9BA 1.291(19) . ?
N02S C0AA 1.460(9) . ?
N02S C61 1.52(3) . ?
N02S C4AA 1.54(2) . ?
C02U C03I 1.350(9) . ?
C02V C02W 1.402(8) . ?
C02X C03A 1.401(9) . ?
C02Y C035 1.394(9) . ?
C02Z C03C 1.537(10) . ?
C030 C03N 1.398(9) . ?
C030 C037 1.422(10) . ?
C032 C03B 1.369(9) . ?
C032 C04F 1.557(10) . ?
C034 C04D 1.382(9) . ?
C036 C03I 1.396(9) . ?
C038 C04U 1.359(10) . ?
C03B C03C 1.355(10) . ?
C03D C04A 1.378(9) . ?
C03E C04N 1.313(11) . ?
C03F C03U 1.347(10) . ?
C52 C51 1.402(11) . ?
C52 C47 1.407(11) . ?
C52 C57 1.425(11) . ?
C43 C44 1.328(13) . ?
C43 C42 1.420(12) . ?
C43 C59 1.665(13) . ?
C03K C046 1.363(9) . ?
C03L C05E 1.357(11) . ?
C8 C7 1.393(11) . ?
C8 C12 1.445(10) . ?
C8 C9 1.458(11) . ?
C03O C04Q 1.375(10) . ?
C57 C36 1.399(11) . ?
C57 C58 1.425(10) . ?
C03Q C04F 1.369(10) . ?
C58 C40 1.381(12) . ?
C58 C60 1.527(11) . ?
C22 C21 1.366(12) . ?
C22 C42 1.381(13) . ?
C22 C23 1.479(11) . ?
C03T C0CA 1.329(15) . ?
C03T C6AA 1.545(17) . ?
C03U C04A 1.402(11) . ?
C13 C12 1.390(10) . ?
C13 C14 1.420(12) . ?
C13 C19 1.426(11) . ?
C7 C15 1.447(12) . ?
C7 C6 1.456(12) . ?
C36 C37 1.414(12) . ?
C36 C35 1.451(12) . ?
C12 C11 1.445(11) . ?
C51 C50 1.385(12) . ?
C51 C53 1.475(12) . ?
C9 C1 1.359(11) . ?
C9 C10 1.464(12) . ?
C14 C15 1.360(12) . ?
C14 C17 1.474(11) . ?
C18 C42 1.404(11) . ?
C18 C17 1.422(13) . ?
C18 C19 1.435(12) . ?
C20 C19 1.357(12) . ?
C20 C41 1.454(12) . ?
C20 C21 1.476(12) . ?
C11 C10 1.425(12) . ?
C11 C41 1.429(12) . ?
C53 C35 1.332(12) . ?
C53 C54 1.485(12) . ?
C046 C04Q 1.412(10) . ?
C47 C46 1.366(11) . ?
C47 C60 1.534(12) . ?
C5 C6 1.373(13) . ?
C5 C1 1.389(12) . ?
C5 C4 1.492(12) . ?
C15 C16 1.459(13) . ?
C6 C56 1.419(12) . ?
C04D C04N 1.426(12) . ?
C23 C24 1.345(13) . ?
C23 C59 1.430(13) . ?
C1 C2 1.551(13) . ?
C04H C5BA 0.666(18) . ?
C04H C0BA 1.39(2) . ?
C04H C7AA 1.80(2) . ?
C10 C29 1.391(13) . ?
C35 C34 1.408(13) . ?
C60 C59 1.539(11) . ?
C60 C9BA 1.561(18) . ?
C60 C61 1.66(3) . ?
C24 C25 1.433(14) . ?
C24 C40 1.507(12) . ?
C45 C17 1.352(13) . ?
C45 C49 1.420(14) . ?
C45 C44 1.474(12) . ?
C44 C46 1.362(12) . ?
C04U C05E 1.398(11) . ?
C40 C38 1.473(14) . ?
C48 C50 1.377(13) . ?
C48 C49 1.433(13) . ?
C48 C46 1.476(13) . ?
C4 C54 1.359(13) . ?
C4 C3 1.400(13) . ?
C21 C26 1.419(13) . ?
C34 C33 1.440(14) . ?
C34 C3 1.483(14) . ?
C37 C38 1.367(13) . ?
C37 C33 1.521(14) . ?
C30 C29 1.344(13) . ?
C30 C2 1.390(14) . ?
C30 C31 1.492(14) . ?
C50 C55 1.433(12) . ?
C053 C05B 1.377(12) . ?
C053 C059 1.443(14) . ?
C38 C39 1.439(14) . ?
C16 C49 1.380(13) . ?
C16 C56 1.399(13) . ?
C26 C25 1.411(13) . ?
C26 C27 1.442(13) . ?
C55 C56 1.392(12) . ?
C55 C54 1.437(13) . ?
C059 C05Y 1.378(14) . ?
C39 C25 1.391(14) . ?
C39 C32 1.426(15) . ?
C05B C05U 1.445(15) . ?
C05B C067 1.451(14) . ?
C61 C9BA 0.61(3) . ?
C33 C31 1.365(13) . ?
C41 C27 1.408(13) . ?
C59 C1BA 1.696(13) . ?
C59 C4AA 1.715(18) . ?
C31 C32 1.443(15) . ?
C2 C3 1.396(13) . ?
C29 C28 1.542(14) . ?
C05U C05W 1.386(15) . ?
C32 C28 1.454(15) . ?
C05W C05Y 1.364(13) . ?
C27 C28 1.356(14) . ?
C0AA C1AA 1.424(11) . ?
C1AA C2AA 1.523(11) . ?
C2AA C3AA 1.428(13) . ?
C5AA C2BA 1.08(2) . ?
C5AA C6BA 1.15(2) . ?
C5AA C8AA 1.345(16) . ?
C5AA C80 1.394(17) . ?
C5AA C4AA 1.73(2) . ?
C8AA C2BA 0.90(2) . ?
C8AA C3BA 1.361(17) . ?
C8AA C9AA 1.44(3) . ?
C8AA C6BA 2.04(2) . ?
C9AA C3BA 0.75(2) . ?
C9AA C4BA 1.38(3) . ?
C9AA C2BA 1.39(3) . ?
C9AA N0BA 1.664(19) . ?
C4AA C1BA 1.22(2) . ?
C4AA C80 1.43(2) . ?
C4AA C6BA 1.51(2) . ?
N0BA C4BA 0.82(2) . ?
N0BA N5BA 0.832(18) . ?
N0BA C3BA 1.361(17) . ?
N0BA C8BA 1.362(18) . ?
N0BA C7BA 1.66(2) . ?
C1BA C80 1.507(16) . ?
C1BA C6BA 1.84(2) . ?
C4BA C3BA 1.24(2) . ?
C4BA N5BA 1.45(2) . ?
C2BA C6BA 1.42(3) . ?
C2BA C3BA 1.61(2) . ?
C2BA C80 1.84(2) . ?
N5BA C8BA 1.13(2) . ?
N5BA C7BA 1.38(3) . ?
C7BA C80 1.23(3) . ?
C7BA C6BA 1.40(3) . ?
C6BA C8BA 1.42(2) . ?
C8BA C80 1.360(19) . ?
C6AA C0CA 0.870(18) . ?
C6AA C7AA 1.27(2) . ?
C6AA C0BA 1.35(2) . ?
C6AA C5BA 2.01(2) . ?
C7AA C0BA 0.971(18) . ?
C7AA C5BA 1.37(2) . ?
C7AA C0CA 1.40(2) . ?
C0BA C5BA 1.36(2) . ?
C0BA C0CA 1.95(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
C014 N001 C013 108.6(4) . . ?
C014 N001 C00I 126.2(4) . . ?
C013 N001 C00I 124.6(4) . . ?
C017 N002 C01F 108.4(4) . . ?
C017 N002 C00Y 128.2(4) . . ?
C01F N002 C00Y 122.8(4) . . ?
C01D N003 C01B 108.3(4) . . ?
C01D N003 C00N 124.3(4) . . ?
C01B N003 C00N 127.0(4) . . ?
C01A N004 C01H 108.6(4) . . ?
C01A N004 C00F 126.4(4) . . ?
C01H N004 C00F 124.6(4) . . ?
C012 N005 C016 108.6(4) . . ?
C012 N005 C00H 126.8(4) . . ?
C016 N005 C00H 124.5(4) . . ?
C01I N006 C019 108.7(4) . . ?
C01I N006 C010 126.7(4) . . ?
C019 N006 C010 124.4(4) . . ?
C01K N007 C01W 108.2(4) . . ?
C01K N007 C00Z 126.0(4) . . ?
C01W N007 C00Z 125.4(4) . . ?
C01O N008 C015 108.6(4) . . ?
C01O N008 C018 123.9(4) . . ?
C015 N008 C018 127.1(4) . . ?
C01G N009 C022 108.6(4) . . ?
C01G N009 C021 127.8(4) . . ?
C022 N009 C021 123.5(4) . . ?
C02I N00A C01X 109.2(4) . . ?
C02I N00A C00X 126.4(5) . . ?
C01X N00A C00X 124.3(4) . . ?
C01E N00B C01C 109.1(4) . . ?
C01E N00B C00P 126.8(4) . . ?
C01C N00B C00P 123.9(4) . . ?
C01Y N00C C02U 108.8(4) . . ?
C01Y N00C C02M 125.3(4) . . ?
C02U N00C C02M 125.3(4) . . ?
C025 N00D C01Q 108.5(5) . . ?
C025 N00D C02P 127.6(4) . . ?
C01Q N00D C02P 123.2(5) . . ?
C02Z N00E C026 125.3(5) . . ?
C02Z N00E C027 126.0(5) . . ?
C026 N00E C027 108.6(5) . . ?
C00H C00F N004 117.8(4) . . ?
C00H C00F C00G 122.5(4) . . ?
N004 C00F C00G 119.7(4) . . ?
C00R C00G C00F 112.6(4) . . ?
C00R C00G C00I 113.2(4) . . ?
C00F C00G C00I 133.6(4) . . ?
N005 C00H C00F 118.1(4) . . ?
N005 C00H C00T 120.5(4) . . ?
C00F C00H C00T 121.4(4) . . ?
C00P C00I N001 117.1(4) . . ?
C00P C00I C00G 122.3(4) . . ?
N001 C00I C00G 120.5(4) . . ?
C038 N00J C03L 108.4(5) . . ?
C038 N00J C032 127.1(5) . . ?
C03L N00J C032 124.4(5) . . ?
C00L C00K C00Y 113.0(4) . . ?
C00L C00K C00P 113.8(4) . . ?
C00Y C00K C00P 132.7(4) . . ?
C00K C00L C00S 125.2(4) . . ?
C00K C00L C00R 124.2(4) . . ?
C00S C00L C00R 107.4(4) . . ?
C02J N00M C02F 108.3(5) . . ?
C02J N00M C03C 123.1(5) . . ?
C02F N00M C03C 128.4(5) . . ?
C00Y C00N N003 119.0(4) . . ?
C00Y C00N C00U 122.0(4) . . ?
N003 C00N C00U 119.1(4) . . ?
C00T C00O C00R 124.0(4) . . ?
C00T C00O C00Q 124.0(4) . . ?
C00R C00O C00Q 108.8(4) . . ?
C00I C00P N00B 119.3(4) . . ?
C00I C00P C00K 121.4(4) . . ?
N00B C00P C00K 119.3(4) . . ?
C011 C00Q C00S 124.5(4) . . ?
C011 C00Q C00O 124.5(4) . . ?
C00S C00Q C00O 107.7(4) . . ?
C00G C00R C00O 125.5(4) . . ?
C00G C00R C00L 124.2(4) . . ?
C00O C00R C00L 107.2(4) . . ?
C00U C00S C00Q 124.7(4) . . ?
C00U C00S C00L 123.7(4) . . ?
C00Q C00S C00L 108.8(4) . . ?
C00O C00T C00X 113.2(4) . . ?
C00O C00T C00H 113.3(4) . . ?
C00X C00T C00H 133.1(4) . . ?
C00S C00U C00N 113.4(4) . . ?
C00S C00U C018 112.9(4) . . ?
C00N C00U C018 133.2(4) . . ?
C034 N00V C03E 110.4(6) . . ?
C034 N00V C037 126.0(5) . . ?
C03E N00V C037 123.4(6) . . ?
C5BA N00W C03T 102.9(7) . . ?
C02H N00W C03T 126.1(5) . . ?
C5BA N00W C04H 26.8(7) . . ?
C03T N00W C04H 116.7(7) . . ?
N00A C00X C010 119.1(4) . . ?
N00A C00X C00T 119.0(4) . . ?
C010 C00X C00T 121.9(4) . . ?
C00N C00Y N002 117.2(4) . . ?
C00N C00Y C00K 121.8(4) . . ?
N002 C00Y C00K 121.0(4) . . ?
C018 C00Z N007 117.4(4) . . ?
C018 C00Z C011 122.4(4) . . ?
N007 C00Z C011 120.1(4) . . ?
C00X C010 N006 117.6(4) . . ?
C00X C010 C011 121.9(4) . . ?
N006 C010 C011 120.4(4) . . ?
C00Q C011 C00Z 113.0(4) . . ?
C00Q C011 C010 113.1(4) . . ?
C00Z C011 C010 133.5(4) . . ?
C01P C012 N005 108.3(4) . . ?
C01J C013 N001 108.1(4) . . ?
C01V C014 N001 107.8(4) . . ?
C020 C015 N008 108.1(4) . . ?
C01M C016 N005 107.6(4) . . ?
C01Z C017 N002 108.1(5) . . ?
N008 C018 C00Z 117.6(4) . . ?
N008 C018 C00U 120.8(4) . . ?
C00Z C018 C00U 121.6(4) . . ?
C01R C019 N006 107.6(4) . . ?
C01S C01A N004 108.2(4) . . ?
C023 C01B N003 108.1(4) . . ?
C02B C01C N00B 107.6(5) . . ?
C024 C01D N003 108.7(5) . . ?
C028 C01E N00B 107.3(5) . . ?
C02D C01F N002 108.1(5) . . ?
C02C C01G N009 107.9(5) . . ?
C01T C01H N004 107.7(4) . . ?
C01U C01I N006 108.0(5) . . ?
C013 C01J C01V 107.3(4) . . ?
C02N C01K N007 108.9(5) . . ?
C03D N01L C03F 109.6(5) . . ?
C03D N01L C03N 129.5(5) . . ?
C03F N01L C03N 120.0(6) . . ?
C016 C01M C01P 107.9(4) . . ?
C03O N01N C03K 109.2(5) . . ?
C03O N01N C04F 120.8(5) . . ?
C03K N01N C04F 128.8(5) . . ?
C02A C01O N008 108.0(4) . . ?
C012 C01P C01M 107.7(4) . . ?
C02V C01Q N00D 107.8(5) . . ?
C019 C01R C01U 107.3(5) . . ?
C01A C01S C01T 107.7(4) . . ?
C01H C01T C01S 107.8(4) . . ?
C01I C01U C01R 108.4(5) . . ?
C014 C01V C01J 108.1(4) . . ?
C02T C01W N007 107.3(5) . . ?
C02R C01X N00A 108.2(6) . . ?
C036 C01Y N00C 107.9(5) . . ?
C017 C01Z C02D 107.6(5) . . ?
C015 C020 C02A 107.4(4) . . ?
C02O C021 N009 123.9(6) . . ?
C02O C021 C02M 121.3(5) . . ?
N009 C021 C02M 114.9(5) . . ?
C02E C022 N009 107.5(5) . . ?
C01B C023 C024 107.4(5) . . ?
C01D C024 C023 107.4(5) . . ?
C02W C025 N00D 107.4(5) . . ?
C035 C026 N00E 107.9(5) . . ?
C02Y C027 N00E 106.6(5) . . ?
C01E C028 C02B 108.0(5) . . ?
C02Q C029 C02K 111.0(5) . . ?
C02Q C029 C02O 125.0(6) . . ?
C02K C029 C02O 120.9(6) . . ?
C01O C02A C020 107.9(5) . . ?
C01C C02B C028 108.1(5) . . ?
C01G C02C C02E 107.9(5) . . ?
C01F C02D C01Z 107.8(5) . . ?
C022 C02E C02C 108.0(5) . . ?
C02X C02F N00M 108.8(6) . . ?
C02Q C02G C02L 110.7(6) . . ?
C02Q C02G C03Q 127.5(7) . . ?
C02L C02G C03Q 119.1(6) . . ?
N00W C02H C03Q 126.0(7) . . ?
N00W C02H C03N 114.8(6) . . ?
C03Q C02H C03N 119.1(6) . . ?
C033 C02I N00A 106.7(6) . . ?
C03A C02J N00M 107.3(5) . . ?
C029 C02K C031 129.3(6) . . ?
C029 C02K C02L 105.2(5) . . ?
C031 C02K C02L 122.2(6) . . ?
C02G C02L C030 129.9(6) . . ?
C02G C02L C02K 104.0(6) . . ?
C030 C02L C02K 123.0(6) . . ?
C031 C02M N00C 121.1(6) . . ?
C031 C02M C021 121.7(6) . . ?
N00C C02M C021 117.3(5) . . ?
C01K C02N C02T 107.0(5) . . ?
C021 C02O C02Z 132.0(6) . . ?
C021 C02O C029 114.7(6) . . ?
C02Z C02O C029 112.9(6) . . ?
C031 C02P N00D 122.5(6) . . ?
C031 C02P C037 121.6(6) . . ?
N00D C02P C037 115.8(5) . . ?
C02G C02Q C029 109.1(6) . . ?
C02G C02Q C03B 123.4(6) . . ?
C029 C02Q C03B 124.2(6) . . ?
C01X C02R C033 107.3(6) . . ?
C1BA N02S C9BA 117.9(10) . . ?
C1BA N02S C0AA 116.4(8) . . ?
C9BA N02S C0AA 121.2(10) . . ?
C1BA N02S C61 110.0(12) . . ?
C9BA N02S C61 23.1(13) . . ?
C0AA N02S C61 114.7(11) . . ?
C1BA N02S C4AA 50.1(9) . . ?
C9BA N02S C4AA 112.0(11) . . ?
C0AA N02S C4AA 119.3(8) . . ?
C61 N02S C4AA 125.5(12) . . ?
C01W C02T C02N 108.5(5) . . ?
C03I C02U N00C 107.5(5) . . ?
C01Q C02V C02W 108.0(5) . . ?
C025 C02W C02V 108.3(6) . . ?
C02F C02X C03A 107.8(6) . . ?
C027 C02Y C035 108.7(5) . . ?
N00E C02Z C02O 121.7(6) . . ?
N00E C02Z C03C 117.0(6) . . ?
C02O C02Z C03C 121.4(6) . . ?
C02L C030 C03N 110.0(7) . . ?
C02L C030 C037 116.2(6) . . ?
C03N C030 C037 133.3(7) . . ?
C02M C031 C02P 132.6(7) . . ?
C02M C031 C02K 111.0(6) . . ?
C02P C031 C02K 116.0(6) . . ?
C03B C032 N00J 122.8(7) . . ?
C03B C032 C04F 123.7(6) . . ?
N00J C032 C04F 113.3(5) . . ?
C02I C033 C02R 108.6(5) . . ?
N00V C034 C04D 106.4(6) . . ?
C026 C035 C02Y 108.2(6) . . ?
C01Y C036 C03I 107.2(5) . . ?
C030 C037 N00V 122.6(6) . . ?
C030 C037 C02P 120.2(6) . . ?
N00V C037 C02P 117.2(5) . . ?
C04U C038 N00J 108.2(6) . . ?
C02J C03A C02X 107.8(6) . . ?
C03C C03B C032 134.5(7) . . ?
C03C C03B C02Q 113.2(6) . . ?
C032 C03B C02Q 111.9(6) . . ?
C03B C03C N00M 120.7(6) . . ?
C03B C03C C02Z 122.2(6) . . ?
N00M C03C C02Z 117.1(6) . . ?
N01L C03D C04A 106.8(6) . . ?
C04N C03E N00V 107.3(8) . . ?
C03U C03F N01L 107.8(7) . . ?
C51 C52 C47 120.8(8) . . ?
C51 C52 C57 117.7(7) . . ?
C47 C52 C57 110.0(7) . . ?
C02U C03I C036 108.7(5) . . ?
C44 C43 C42 125.4(8) . . ?
C44 C43 C59 123.1(7) . . ?
C42 C43 C59 104.1(9) . . ?
C046 C03K N01N 107.7(6) . . ?
C05E C03L N00J 107.4(6) . . ?
C7 C8 C12 119.6(7) . . ?
C7 C8 C9 118.4(7) . . ?
C12 C8 C9 110.2(7) . . ?
C030 C03N N01L 118.0(7) . . ?
C030 C03N C02H 124.6(6) . . ?
N01L C03N C02H 117.5(5) . . ?
N01N C03O C04Q 107.7(6) . . ?
C36 C57 C52 121.4(7) . . ?
C36 C57 C58 121.1(8) . . ?
C52 C57 C58 107.0(7) . . ?
C04F C03Q C02H 131.4(7) . . ?
C04F C03Q C02G 112.3(6) . . ?
C02H C03Q C02G 116.0(7) . . ?
C40 C58 C57 119.7(8) . . ?
C40 C58 C60 122.3(7) . . ?
C57 C58 C60 111.1(7) . . ?
C21 C22 C42 121.6(8) . . ?
C21 C22 C23 118.8(10) . . ?
C42 C22 C23 108.9(8) . . ?
C0CA C03T N00W 112.5(9) . . ?
C0CA C03T C6AA 34.2(8) . . ?
N00W C03T C6AA 96.7(8) . . ?
C03F C03U C04A 108.1(6) . . ?
C12 C13 C14 119.5(7) . . ?
C12 C13 C19 121.6(8) . . ?
C14 C13 C19 107.2(7) . . ?
C8 C7 C15 120.1(8) . . ?
C8 C7 C6 120.2(8) . . ?
C15 C7 C6 107.3(8) . . ?
C57 C36 C37 118.1(7) . . ?
C57 C36 C35 120.6(8) . . ?
C37 C36 C35 108.2(8) . . ?
C13 C12 C11 121.0(7) . . ?
C13 C12 C8 119.5(7) . . ?
C11 C12 C8 106.0(7) . . ?
C50 C51 C52 121.2(9) . . ?
C50 C51 C53 107.7(8) . . ?
C52 C51 C53 119.6(8) . . ?
C1 C9 C8 119.4(8) . . ?
C1 C9 C10 123.4(9) . . ?
C8 C9 C10 105.5(7) . . ?
C15 C14 C13 122.3(7) . . ?
C15 C14 C17 115.6(9) . . ?
C13 C14 C17 110.5(8) . . ?
C42 C18 C17 117.0(8) . . ?
C42 C18 C19 120.4(9) . . ?
C17 C18 C19 111.1(7) . . ?
C19 C20 C41 122.6(8) . . ?
C19 C20 C21 116.9(8) . . ?
C41 C20 C21 108.2(8) . . ?
C10 C11 C41 121.5(9) . . ?
C10 C11 C12 109.8(7) . . ?
C41 C11 C12 117.4(8) . . ?
C35 C53 C51 122.2(8) . . ?
C35 C53 C54 116.9(9) . . ?
C51 C53 C54 106.9(8) . . ?
C03K C046 C04Q 108.1(6) . . ?
C46 C47 C52 119.6(8) . . ?
C46 C47 C60 124.7(8) . . ?
C52 C47 C60 109.8(7) . . ?
C6 C5 C1 120.9(8) . . ?
C6 C5 C4 120.5(9) . . ?
C1 C5 C4 106.8(9) . . ?
C14 C15 C7 118.9(8) . . ?
C14 C15 C16 124.2(8) . . ?
C7 C15 C16 104.7(8) . . ?
C03D C04A C03U 107.7(7) . . ?
C20 C19 C13 118.3(8) . . ?
C20 C19 C18 121.4(8) . . ?
C13 C19 C18 107.5(8) . . ?
C5 C6 C56 119.6(9) . . ?
C5 C6 C7 118.8(8) . . ?
C56 C6 C7 110.0(9) . . ?
C034 C04D C04N 106.2(7) . . ?
C24 C23 C59 123.0(8) . . ?
C24 C23 C22 120.1(10) . . ?
C59 C23 C22 110.3(9) . . ?
C03Q C04F N01N 120.2(7) . . ?
C03Q C04F C032 120.2(5) . . ?
N01N C04F C032 119.6(7) . . ?
C9 C1 C5 122.3(8) . . ?
C9 C1 C2 114.8(9) . . ?
C5 C1 C2 110.0(8) . . ?
C5BA C04H C0BA 73(2) . . ?
C5BA C04H N00W 64(2) . . ?
C0BA C04H N00W 102.5(12) . . ?
C5BA C04H C7AA 41(2) . . ?
C0BA C04H C7AA 32.2(8) . . ?
N00W C04H C7AA 85.6(10) . . ?
C29 C10 C11 120.1(9) . . ?
C29 C10 C9 118.2(8) . . ?
C11 C10 C9 108.5(8) . . ?
C53 C35 C34 124.7(9) . . ?
C53 C35 C36 118.3(9) . . ?
C34 C35 C36 106.5(9) . . ?
C58 C60 C47 98.8(6) . . ?
C58 C60 C59 114.7(7) . . ?
C47 C60 C59 114.7(6) . . ?
C58 C60 C9BA 109.5(9) . . ?
C47 C60 C9BA 119.7(9) . . ?
C59 C60 C9BA 100.1(9) . . ?
C58 C60 C61 122.7(11) . . ?
C47 C60 C61 99.3(10) . . ?
C59 C60 C61 105.7(11) . . ?
C9BA C60 C61 21.4(10) . . ?
C03E C04N C04D 109.7(7) . . ?
C23 C24 C25 121.2(9) . . ?
C23 C24 C40 121.6(9) . . ?
C25 C24 C40 105.4(10) . . ?
C03O C04Q C046 107.3(6) . . ?
C17 C45 C49 122.4(9) . . ?
C17 C45 C44 120.2(10) . . ?
C49 C45 C44 106.2(8) . . ?
C43 C44 C46 122.3(9) . . ?
C43 C44 C45 115.7(9) . . ?
C46 C44 C45 110.2(10) . . ?
C22 C42 C18 118.7(9) . . ?
C22 C42 C43 112.2(8) . . ?
C18 C42 C43 118.6(10) . . ?
C038 C04U C05E 107.4(7) . . ?
C58 C40 C38 119.9(8) . . ?
C58 C40 C24 117.9(9) . . ?
C38 C40 C24 110.0(9) . . ?
C50 C48 C49 120.6(9) . . ?
C50 C48 C46 120.6(9) . . ?
C49 C48 C46 107.2(10) . . ?
C54 C4 C3 123.6(9) . . ?
C54 C4 C5 117.7(10) . . ?
C3 C4 C5 106.6(9) . . ?
C22 C21 C26 120.9(9) . . ?
C22 C21 C20 121.0(9) . . ?
C26 C21 C20 105.7(9) . . ?
C35 C34 C33 113.9(9) . . ?
C35 C34 C3 118.6(10) . . ?
C33 C34 C3 114.6(9) . . ?
C38 C37 C36 123.2(9) . . ?
C38 C37 C33 114.5(9) . . ?
C36 C37 C33 109.9(9) . . ?
C29 C30 C2 121.9(11) . . ?
C29 C30 C31 108.7(10) . . ?
C2 C30 C31 117.5(10) . . ?
C48 C50 C51 118.9(9) . . ?
C48 C50 C55 118.5(9) . . ?
C51 C50 C55 110.6(9) . . ?
C05B C053 C059 121.3(11) . . ?
C45 C17 C18 122.9(8) . . ?
C45 C17 C14 120.7(9) . . ?
C18 C17 C14 103.7(8) . . ?
C37 C38 C39 129.1(11) . . ?
C37 C38 C40 117.9(9) . . ?
C39 C38 C40 101.6(9) . . ?
C49 C16 C56 118.8(9) . . ?
C49 C16 C15 117.6(10) . . ?
C56 C16 C15 112.1(8) . . ?
C25 C26 C21 120.2(9) . . ?
C25 C26 C27 117.2(10) . . ?
C21 C26 C27 109.9(9) . . ?
C56 C55 C50 120.0(10) . . ?
C56 C55 C54 119.1(9) . . ?
C50 C55 C54 108.5(8) . . ?
C05Y C059 C053 119.6(9) . . ?
C25 C39 C32 118.4(11) . . ?
C25 C39 C38 115.2(10) . . ?
C32 C39 C38 114.3(11) . . ?
C053 C05B C05U 116.5(11) . . ?
C053 C05B C067 124.1(13) . . ?
C05U C05B C067 119.4(10) . . ?
C9BA C61 N02S 57(4) . . ?
C9BA C61 C60 70(4) . . ?
N02S C61 C60 95.0(14) . . ?
C16 C49 C45 119.3(9) . . ?
C16 C49 C48 120.7(10) . . ?
C45 C49 C48 108.7(9) . . ?
C03L C05E C04U 108.7(7) . . ?
C31 C33 C34 128.1(11) . . ?
C31 C33 C37 118.0(10) . . ?
C34 C33 C37 101.4(9) . . ?
C27 C41 C11 121.0(9) . . ?
C27 C41 C20 107.6(9) . . ?
C11 C41 C20 119.0(8) . . ?
C4 C54 C55 122.0(9) . . ?
C4 C54 C53 120.2(9) . . ?
C55 C54 C53 106.3(9) . . ?
C23 C59 C60 118.4(8) . . ?
C23 C59 C43 101.3(7) . . ?
C60 C59 C43 111.4(7) . . ?
C23 C59 C1BA 123.9(8) . . ?
C60 C59 C1BA 100.0(7) . . ?
C43 C59 C1BA 100.5(7) . . ?
C23 C59 C4AA 87.0(9) . . ?
C60 C59 C4AA 105.6(8) . . ?
C43 C59 C4AA 131.5(8) . . ?
C1BA C59 C4AA 41.7(7) . . ?
C33 C31 C32 124.4(11) . . ?
C33 C31 C30 115.7(11) . . ?
C32 C31 C30 107.5(10) . . ?
C55 C56 C16 121.5(9) . . ?
C55 C56 C6 121.1(10) . . ?
C16 C56 C6 105.9(9) . . ?
C30 C2 C3 126.4(10) . . ?
C30 C2 C1 119.4(8) . . ?
C3 C2 C1 102.1(9) . . ?
C2 C3 C4 114.4(10) . . ?
C2 C3 C34 117.4(10) . . ?
C4 C3 C34 116.0(9) . . ?
C30 C29 C10 122.3(11) . . ?
C30 C29 C28 110.5(10) . . ?
C10 C29 C28 115.9(9) . . ?
C05W C05U C05B 121.2(9) . . ?
C39 C32 C28 119.0(11) . . ?
C39 C32 C31 119.5(11) . . ?
C28 C32 C31 109.3(11) . . ?
C05Y C05W C05U 121.0(12) . . ?
C05W C05Y C059 120.3(12) . . ?
C28 C27 C41 118.1(10) . . ?
C28 C27 C26 121.2(10) . . ?
C41 C27 C26 108.6(9) . . ?
C44 C46 C47 122.0(10) . . ?
C44 C46 C48 107.7(9) . . ?
C47 C46 C48 119.0(8) . . ?
C27 C28 C32 120.8(11) . . ?
C27 C28 C29 123.4(10) . . ?
C32 C28 C29 103.9(10) . . ?
C39 C25 C26 123.4(11) . . ?
C39 C25 C24 107.6(10) . . ?
C26 C25 C24 118.7(10) . . ?
C1AA C0AA N02S 117.1(7) . . ?
C0AA C1AA C2AA 118.7(8) . . ?
C3AA C2AA C1AA 115.8(8) . . ?
C2BA C5AA C6BA 79.0(16) . . ?
C2BA C5AA C8AA 42.1(12) . . ?
C6BA C5AA C8AA 109.4(12) . . ?
C2BA C5AA C80 95.0(13) . . ?
C6BA C5AA C80 17.2(14) . . ?
C8AA C5AA C80 119.4(8) . . ?
C2BA C5AA C4AA 121.1(15) . . ?
C6BA C5AA C4AA 59.0(12) . . ?
C8AA C5AA C4AA 163.1(12) . . ?
C80 C5AA C4AA 53.3(9) . . ?
C2BA C8AA C5AA 53.2(15) . . ?
C2BA C8AA C3BA 88.5(16) . . ?
C5AA C8AA C3BA 121.0(8) . . ?
C2BA C8AA C9AA 68.6(17) . . ?
C5AA C8AA C9AA 117.4(11) . . ?
C3BA C8AA C9AA 30.9(9) . . ?
C2BA C8AA C6BA 36.7(16) . . ?
C5AA C8AA C6BA 32.2(7) . . ?
C3BA C8AA C6BA 89.7(8) . . ?
C9AA C8AA C6BA 87.0(11) . . ?
C3BA C9AA C4BA 63(2) . . ?
C3BA C9AA C2BA 93(2) . . ?
C4BA C9AA C2BA 120.7(10) . . ?
C3BA C9AA C8AA 69(2) . . ?
C4BA C9AA C8AA 124.7(17) . . ?
C2BA C9AA C8AA 37.2(10) . . ?
C3BA C9AA N0BA 53.7(17) . . ?
C4BA C9AA N0BA 29.5(8) . . ?
C2BA C9AA N0BA 91.8(10) . . ?
C8AA C9AA N0BA 98.6(13) . . ?
C1BA C4AA C80 68.8(12) . . ?
C1BA C4AA C6BA 84.2(15) . . ?
C80 C4AA C6BA 17.3(10) . . ?
C1BA C4AA N02S 52.9(10) . . ?
C80 C4AA N02S 104.5(13) . . ?
C6BA C4AA N02S 121.4(15) . . ?
C1BA C4AA C59 68.3(11) . . ?
C80 C4AA C59 110.0(13) . . ?
C6BA C4AA C59 111.0(15) . . ?
N02S C4AA C59 90.1(10) . . ?
C1BA C4AA C5AA 117.2(14) . . ?
C80 C4AA C5AA 51.2(9) . . ?
C6BA C4AA C5AA 40.9(10) . . ?
N02S C4AA C5AA 122.9(11) . . ?
C59 C4AA C5AA 143.6(13) . . ?
C4BA N0BA N5BA 122(3) . . ?
C4BA N0BA C3BA 63.4(19) . . ?
N5BA N0BA C3BA 174(2) . . ?
C4BA N0BA C8BA 149(3) . . ?
N5BA N0BA C8BA 55.7(15) . . ?
C3BA N0BA C8BA 119.4(9) . . ?
C4BA N0BA C7BA 155(3) . . ?
N5BA N0BA C7BA 55.6(15) . . ?
C3BA N0BA C7BA 119.2(11) . . ?
C8BA N0BA C7BA 6.2(18) . . ?
C4BA N0BA C9AA 55.6(16) . . ?
N5BA N0BA C9AA 155(2) . . ?
C3BA N0BA C9AA 26.4(9) . . ?
C8BA N0BA C9AA 111.5(10) . . ?
C7BA N0BA C9AA 114.3(12) . . ?
C4AA C1BA N02S 77.0(12) . . ?
C4AA C1BA C80 62.5(11) . . ?
N02S C1BA C80 116.1(11) . . ?
C4AA C1BA C59 69.9(10) . . ?
N02S C1BA C59 101.5(8) . . ?
C80 C1BA C59 107.5(9) . . ?
C4AA C1BA C6BA 54.7(12) . . ?
N02S C1BA C6BA 116.9(12) . . ?
C80 C1BA C6BA 10.4(10) . . ?
C59 C1BA C6BA 97.4(10) . . ?
N0BA C4BA C3BA 80(2) . . ?
N0BA C4BA C9AA 94.9(17) . . ?
C3BA C4BA C9AA 32.8(12) . . ?
N0BA C4BA N5BA 29.1(16) . . ?
C3BA C4BA N5BA 109.2(16) . . ?
C9AA C4BA N5BA 119.6(9) . . ?
C8AA C2BA C5AA 85(2) . . ?
C8AA C2BA C9AA 74.3(18) . . ?
C5AA C2BA C9AA 148(2) . . ?
C8AA C2BA C6BA 121(2) . . ?
C5AA C2BA C6BA 52.7(14) . . ?
C9AA C2BA C6BA 119.8(10) . . ?
C8AA C2BA C3BA 57.4(13) . . ?
C5AA C2BA C3BA 120.4(19) . . ?
C9AA C2BA C3BA 27.6(10) . . ?
C6BA C2BA C3BA 107.2(11) . . ?
C8AA C2BA C80 115(2) . . ?
C5AA C2BA C80 49.1(10) . . ?
C9AA C2BA C80 119.6(10) . . ?
C6BA C2BA C80 6.1(14) . . ?
C3BA C2BA C80 104.4(12) . . ?
N0BA N5BA C8BA 86.8(19) . . ?
N0BA N5BA C7BA 94.5(16) . . ?
C8BA N5BA C7BA 10.8(16) . . ?
N0BA N5BA C4BA 28.8(16) . . ?
C8BA N5BA C4BA 109.4(13) . . ?
C7BA N5BA C4BA 119.1(10) . . ?
C9AA C3BA C4BA 84(2) . . ?
C9AA C3BA N0BA 100(2) . . ?
C4BA C3BA N0BA 36.6(11) . . ?
C9AA C3BA C8AA 80(2) . . ?
C4BA C3BA C8AA 148.2(14) . . ?
N0BA C3BA C8AA 120.0(8) . . ?
C9AA C3BA C2BA 59.6(19) . . ?
C4BA C3BA C2BA 114.7(15) . . ?
N0BA C3BA C2BA 95.2(10) . . ?
C8AA C3BA C2BA 34.1(8) . . ?
C80 C7BA N5BA 138.2(14) . . ?
C80 C7BA C6BA 18.3(11) . . ?
N5BA C7BA C6BA 121.3(10) . . ?
C80 C7BA N0BA 108.6(15) . . ?
N5BA C7BA N0BA 29.9(7) . . ?
C6BA C7BA N0BA 92.9(10) . . ?
C5AA C6BA C7BA 138(2) . . ?
C5AA C6BA C8BA 135(2) . . ?
C7BA C6BA C8BA 14.0(11) . . ?
C5AA C6BA C2BA 48.3(12) . . ?
C7BA C6BA C2BA 118.7(10) . . ?
C8BA C6BA C2BA 105.7(11) . . ?
C5AA C6BA C4AA 80.1(14) . . ?
C7BA C6BA C4AA 126.4(16) . . ?
C8BA C6BA C4AA 139.1(19) . . ?
C2BA C6BA C4AA 114.9(15) . . ?
C5AA C6BA C1BA 113.6(15) . . ?
C7BA C6BA C1BA 85.3(12) . . ?
C8BA C6BA C1BA 98.2(14) . . ?
C2BA C6BA C1BA 156.0(12) . . ?
C4AA C6BA C1BA 41.1(9) . . ?
C5AA C6BA C8AA 38.4(9) . . ?
C7BA C6BA C8AA 111.6(12) . . ?
C8BA C6BA C8AA 101.9(13) . . ?
C2BA C6BA C8AA 22.3(10) . . ?
C4AA C6BA C8AA 117.3(15) . . ?
C1BA C6BA C8AA 150.8(15) . . ?
N5BA C8BA C80 157.7(15) . . ?
N5BA C8BA N0BA 37.6(10) . . ?
C80 C8BA N0BA 120.9(9) . . ?
N5BA C8BA C6BA 143.9(18) . . ?
C80 C8BA C6BA 18.5(10) . . ?
N0BA C8BA C6BA 106.5(12) . . ?
C7BA C80 C8BA 14.2(12) . . ?
C7BA C80 C5AA 130.3(14) . . ?
C8BA C80 C5AA 119.0(8) . . ?
C7BA C80 C4AA 153(2) . . ?
C8BA C80 C4AA 157.8(13) . . ?
C5AA C80 C4AA 75.5(11) . . ?
C7BA C80 C1BA 107.7(14) . . ?
C8BA C80 C1BA 119.5(11) . . ?
C5AA C80 C1BA 121.4(11) . . ?
C4AA C80 C1BA 48.7(9) . . ?
C7BA C80 C2BA 102.6(14) . . ?
C8BA C80 C2BA 88.9(8) . . ?
C5AA C80 C2BA 35.9(7) . . ?
C4AA C80 C2BA 97.3(13) . . ?
C1BA C80 C2BA 145.0(12) . . ?
C61 C9BA N02S 100(4) . . ?
C61 C9BA C60 89(4) . . ?
N02S C9BA C60 110.4(12) . . ?
C0CA C6AA C7AA 79.3(19) . . ?
C0CA C6AA C0BA 122(2) . . ?
C7AA C6AA C0BA 43.3(9) . . ?
C0CA C6AA C03T 59.2(14) . . ?
C7AA C6AA C03T 100.4(12) . . ?
C0BA C6AA C03T 112.7(11) . . ?
C0CA C6AA C5BA 91.2(18) . . ?
C7AA C6AA C5BA 42.1(9) . . ?
C0BA C6AA C5BA 42.0(9) . . ?
C03T C6AA C5BA 72.4(7) . . ?
C0BA C7AA C6AA 73.1(17) . . ?
C0BA C7AA C5BA 68.4(14) . . ?
C6AA C7AA C5BA 99.6(14) . . ?
C0BA C7AA C0CA 110.0(19) . . ?
C6AA C7AA C0CA 37.7(9) . . ?
C5BA C7AA C0CA 106.1(12) . . ?
C0BA C7AA C04H 49.9(12) . . ?
C6AA C7AA C04H 93.2(12) . . ?
C5BA C7AA C04H 18.5(9) . . ?
C0CA C7AA C04H 111.2(12) . . ?
C7AA C0BA C6AA 63.6(14) . . ?
C7AA C0BA C5BA 69.9(15) . . ?
C6AA C0BA C5BA 96.1(13) . . ?
C7AA C0BA C04H 97.8(16) . . ?
C6AA C0BA C04H 110.8(13) . . ?
C5BA C0BA C04H 28.0(8) . . ?
C7AA C0BA C0CA 42.2(13) . . ?
C6AA C0BA C0CA 22.3(9) . . ?
C5BA C0BA C0CA 81.7(11) . . ?
C04H C0BA C0CA 103.5(11) . . ?
C6AA C0CA C03T 86.6(17) . . ?
C6AA C0CA C7AA 63.0(16) . . ?
C03T C0CA C7AA 105.4(12) . . ?
C6AA C0CA C0BA 36.1(14) . . ?
C03T C0CA C0BA 92.7(10) . . ?
C7AA C0CA C0BA 27.8(8) . . ?
C04H C5BA N00W 89(2) . . ?
C04H C5BA C0BA 79(2) . . ?
N00W C5BA C0BA 113.4(13) . . ?
C04H C5BA C7AA 121(3) . . ?
N00W C5BA C7AA 112.6(13) . . ?
C0BA C5BA C7AA 41.7(9) . . ?
C04H C5BA C6AA 103(3) . . ?
N00W C5BA C6AA 79.7(9) . . ?
C0BA C5BA C6AA 41.9(9) . . ?
C7AA C5BA C6AA 38.3(9) . . ?

_refine_diff_density_max         1.383
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.079


# start Validation Reply Form
_vrf_THETM01_3bpy                
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
Calculated sine(theta_max)/wavelength = 0.5102
RESPONSE: The sample diffracted very weakly,
 and at high angles the reflections were completely absent,
 even when subjected to synchrotron radiation. 
Dispite the poor quality of the data, 
the connectivity and gross conformation are not in doubt.
;
# end Validation Reply Form


