# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_ga_220105b_a
_database_code_depnum_ccdc_archive 'CCDC 2161639'
loop_
_audit_author_name
_audit_author_address
'Muqing Chen'
;University of Science and Technology of China
China
;
_audit_update_record             
;
2022-03-24 deposited with the CCDC.	2023-04-26 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            'C1158 H672'
_chemical_formula_weight         14584.92

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0148 0.0070 '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/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   20.8830(7)
_cell_length_b                   27.5133(9)
_cell_length_c                   33.7675(11)
_cell_angle_alpha                90
_cell_angle_beta                 97.309(2)
_cell_angle_gamma                90
_cell_volume                     19243.8(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9294
_cell_measurement_theta_min      3.36
_cell_measurement_theta_max      52.90

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_F_000             7620
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    0.350
_shelx_estimated_absorpt_T_min   0.890
_shelx_estimated_absorpt_T_max   0.943
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            195069
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         3.021
_diffrn_reflns_theta_max         53.037
_diffrn_reflns_theta_full        53.037
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             33959
_reflns_number_gt                26575
_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          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1716P)²+10.6029P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.00067(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         33959
_refine_ls_number_parameters     3350
_refine_ls_number_restraints     2201
_refine_ls_R_factor_all          0.1055
_refine_ls_R_factor_gt           0.0904
_refine_ls_wR_factor_ref         0.2790
_refine_ls_wR_factor_gt          0.2630
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.131
_refine_ls_shift/su_mean         0.004

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
C1A C 1.10405(11) 0.61705(11) 0.42144(9) 0.0782(8) Uani 0.7004(8) 1 d D U P A 1
C2A C 1.10455(11) 0.63743(11) 0.38254(9) 0.0765(8) Uani 0.7004(8) 1 d D U P A 1
C4CA C 1.10104(13) 0.59574(13) 0.35380(11) 0.1108(11) Uani 0.7004(8) 1 d D U P
A 1
C3CA C 1.09899(15) 0.55023(13) 0.37801(12) 0.1354(13) Uani 0.7004(8) 1 d D U P
A 1
C5A C 1.09965(13) 0.56306(11) 0.42049(12) 0.1028(10) Uani 0.7004(8) 1 d D U P A
1
C6A C 1.06334(15) 0.54145(11) 0.44563(11) 0.1193(10) Uani 0.7004(8) 1 d D U P A
1
C7A C 1.02970(18) 0.56910(15) 0.47195(10) 0.1312(13) Uani 0.7004(8) 1 d D U P A
1
C8A C 1.03219(18) 0.61685(15) 0.47389(9) 0.1161(12) Uani 0.7004(8) 1 d D U P A
1
C9A C 1.07242(12) 0.64120(11) 0.44740(8) 0.0782(8) Uani 0.7004(8) 1 d D U P A 1
C10A C 1.03683(12) 0.68676(10) 0.43622(8) 0.0728(8) Uani 0.7004(8) 1 d D U P A
1
C11A C 1.03532(14) 0.70351(10) 0.39911(10) 0.0848(9) Uani 0.7004(8) 1 d D U P A
1
C12A C 1.07282(12) 0.67799(10) 0.37148(9) 0.0742(8) Uani 0.7004(8) 1 d D U P A
1
C13A C 1.03718(14) 0.67958(11) 0.33015(8) 0.0846(8) Uani 0.7004(8) 1 d D U P A
1
C14A C 1.03757(16) 0.64104(14) 0.30756(10) 0.1232(10) Uani 0.7004(8) 1 d D U P
A 1
C5CA C 1.06791(17) 0.59695(14) 0.31794(11) 0.1533(13) Uani 0.7004(8) 1 d D U P
A 1
C6CA C 1.02674(17) 0.55462(14) 0.30222(10) 0.1388(11) Uani 0.7004(8) 1 d D U P
A 1
C8DA C 1.02427(17) 0.51545(12) 0.32444(11) 0.1418(12) Uani 0.7004(8) 1 d D U P
A 1
C2CA C 1.06279(17) 0.51273(12) 0.36437(12) 0.1444(13) Uani 0.7004(8) 1 d D U P
A 1
C19A C 1.02642(17) 0.48754(10) 0.39196(14) 0.1386(13) Uani 0.7004(8) 1 d D U P
A 1
C20A C 1.02169(18) 0.49918(11) 0.43061(13) 0.1324(13) Uani 0.7004(8) 1 d D U P
A 1
C21A C 0.96072(18) 0.50193(12) 0.44779(11) 0.1597(12) Uani 0.7004(8) 1 d D U P
A 1
C22A C 0.9662(2) 0.54621(16) 0.47333(10) 0.1713(14) Uani 0.7004(8) 1 d D U P A
1
C2DA C 0.91122(19) 0.56930(16) 0.47588(10) 0.1659(13) Uani 0.7004(8) 1 d D U P
A 1
C7DA C 0.91579(19) 0.62165(16) 0.47757(10) 0.1689(14) Uani 0.7004(8) 1 d D U P
A 1
C25A C 0.97107(16) 0.64558(14) 0.47684(8) 0.1109(11) Uani 0.7004(8) 1 d D U P A
1
C26A C 0.97541(15) 0.69041(11) 0.45223(9) 0.0898(9) Uani 0.7004(8) 1 d D U P A
1
C27A C 0.92260(15) 0.70771(11) 0.42997(10) 0.1009(10) Uani 0.7004(8) 1 d D U P
A 1
C5BA C 0.92334(18) 0.72391(10) 0.39076(10) 0.1101(12) Uani 0.7004(8) 1 d D U P
A 1
C2BA C 0.97617(15) 0.72376(9) 0.37500(10) 0.0897(10) Uani 0.7004(8) 1 d D U P A
1
C3BA C 0.97761(14) 0.70848(11) 0.33242(10) 0.0976(10) Uani 0.7004(8) 1 d D U P
A 1
C9BA C 0.86318(15) 0.69683(10) 0.32810(10) 0.1181(12) Uani 0.7004(8) 1 d D U P
A 1
C8BA C 0.82029(14) 0.65457(11) 0.31252(9) 0.1094(11) Uani 0.7004(8) 1 d D U P A
1
C50A C 0.85638(18) 0.62843(16) 0.28572(10) 0.1290(14) Uani 0.7004(8) 1 d D U P
A 1
C32A C 0.9226(2) 0.65380(15) 0.28472(10) 0.1432(15) Uani 0.7004(8) 1 d D U P A
1
C4BA C 0.92295(17) 0.69585(12) 0.31082(10) 0.1278(12) Uani 0.7004(8) 1 d D U P
A 1
C33A C 0.9750(2) 0.62601(17) 0.28238(9) 0.1529(14) Uani 0.7004(8) 1 d D U P A 1
C34A C 0.9693(2) 0.57386(16) 0.28106(10) 0.1513(14) Uani 0.7004(8) 1 d D U P A
1
C35A C 0.91367(18) 0.55263(14) 0.28191(9) 0.1142(12) Uani 0.7004(8) 1 d D U P A
1
C36A C 0.91047(18) 0.50730(11) 0.30561(10) 0.1085(11) Uani 0.7004(8) 1 d D U P
A 1
C37A C 0.96369(17) 0.48997(11) 0.32637(11) 0.1140(11) Uani 0.7004(8) 1 d D U P
A 1
C38A C 0.9646(2) 0.47303(9) 0.36564(12) 0.1244(13) Uani 0.7004(8) 1 d D U P A 1
C5 C 0.91119(16) 0.47277(9) 0.38253(11) 0.1071(11) Uani 0.7004(8) 1 d D U P A 1
C4 C 0.90861(17) 0.48832(11) 0.42612(10) 0.1205(11) Uani 0.7004(8) 1 d D U P A
1
C3 C 0.84811(13) 0.51703(11) 0.42777(9) 0.0957(9) Uani 0.7004(8) 1 d D U P A 1
C2 C 0.81241(13) 0.51765(12) 0.38711(10) 0.0924(10) Uani 0.7004(8) 1 d D U P A
1
C1 C 0.85129(15) 0.49129(10) 0.35984(11) 0.1001(11) Uani 0.7004(8) 1 d D U P A
1
C4DA C 0.84874(16) 0.55571(14) 0.45203(10) 0.1182(11) Uani 0.7004(8) 1 d D U P
A 1
C5DA C 0.81717(16) 0.59970(16) 0.44001(12) 0.1286(13) Uani 0.7004(8) 1 d D U P
A 1
C6DA C 0.85824(17) 0.64210(14) 0.45494(10) 0.1257(12) Uani 0.7004(8) 1 d D U P
A 1
C45A C 0.86163(16) 0.68322(13) 0.43246(11) 0.1181(11) Uani 0.7004(8) 1 d D U P
A 1
C1CA C 0.82464(16) 0.68465(11) 0.39284(10) 0.1231(11) Uani 0.7004(8) 1 d D U P
A 1
C0CA C 0.86127(15) 0.71057(11) 0.36586(11) 0.1358(13) Uani 0.7004(8) 1 d D U P
A 1
C51A C 0.85310(19) 0.58060(15) 0.28528(9) 0.1115(13) Uani 0.7004(8) 1 d D U P A
1
C52A C 0.81255(14) 0.55561(11) 0.31061(8) 0.0807(8) Uani 0.7004(8) 1 d D U P A
1
C53A C 0.84810(14) 0.51058(9) 0.32248(9) 0.0842(9) Uani 0.7004(8) 1 d D U P A 1
C56A C 0.78114(12) 0.55879(12) 0.37612(9) 0.0804(8) Uani 0.7004(8) 1 d D U P A
1
C57A C 0.78472(13) 0.60113(15) 0.40439(10) 0.1041(11) Uani 0.7004(8) 1 d D U P
A 1
C6BA C 0.78761(13) 0.64696(12) 0.37976(10) 0.1040(11) Uani 0.7004(8) 1 d D U P
A 1
C7BA C 0.78527(11) 0.63274(9) 0.33751(9) 0.0779(8) Uani 0.7004(8) 1 d D U P A 1
C60A C 0.78093(12) 0.57897(11) 0.33630(9) 0.0774(8) Uani 0.7004(8) 1 d D U P A
1
C9CA C 1.0983(3) 0.63589(17) 0.36477(15) 0.1025(17) Uani 0.2996(8) 1 d D U P A
6
C4HA C 1.0899(3) 0.60084(16) 0.33894(13) 0.0933(16) Uani 0.2996(8) 1 d D U P A
6
C9GA C 1.0872(2) 0.54974(14) 0.35188(13) 0.0800(14) Uani 0.2996(8) 1 d D U P A
6
C3EA C 1.0925(2) 0.53926(14) 0.39144(14) 0.0943(16) Uani 0.2996(8) 1 d D U P A
6
C9FA C 1.0393(2) 0.52358(16) 0.32510(13) 0.0842(14) Uani 0.2996(8) 1 d D U P A
6
C6GA C 1.0410(3) 0.60600(17) 0.30341(16) 0.0965(16) Uani 0.2996(8) 1 d D U P A
6
C1IA C 1.0106(3) 0.55820(18) 0.29411(17) 0.0929(16) Uani 0.2996(8) 1 d D U P A
6
C4AA C 0.9424(2) 0.54961(18) 0.47372(18) 0.1048(17) Uani 0.2996(8) 1 d D U P A
6
C6IA C 0.9327(2) 0.4871(2) 0.32382(16) 0.1023(17) Uani 0.2996(8) 1 d D U P A 6
C7IA C 0.9716(2) 0.59483(18) 0.48169(16) 0.0897(15) Uani 0.2996(8) 1 d D U P A
6
C8IA C 1.0337(2) 0.60196(19) 0.46994(18) 0.1071(17) Uani 0.2996(8) 1 d D U P A
6
C2EA C 0.9753(2) 0.67367(19) 0.45925(16) 0.1030(17) Uani 0.2996(8) 1 d D U P A
6
C8HA C 1.0465(3) 0.6991(2) 0.39620(17) 0.0997(16) Uani 0.2996(8) 1 d D U P A 6
C1HA C 1.0606(3) 0.68037(19) 0.35739(17) 0.1068(17) Uani 0.2996(8) 1 d D U P A
6
C2HA C 1.0202(2) 0.68540(18) 0.32657(19) 0.1006(16) Uani 0.2996(8) 1 d D U P A
6
C6HA C 0.9545(2) 0.7085(2) 0.3289(2) 0.0994(16) Uani 0.2996(8) 1 d D U P A 6
C5KA C 1.0106(2) 0.4806(2) 0.38223(13) 0.1104(17) Uani 0.2996(8) 1 d D U P A 6
C5GA C 0.8526(2) 0.67353(17) 0.30888(15) 0.0923(16) Uani 0.2996(8) 1 d D U P A
6
C1EA C 0.8201(2) 0.62717(16) 0.30082(15) 0.0940(16) Uani 0.2996(8) 1 d D U P A
6
C3GA C 0.9403(2) 0.6419(2) 0.28057(19) 0.1035(17) Uani 0.2996(8) 1 d D U P A 6
C1GA C 0.9058(2) 0.68110(18) 0.29978(17) 0.1017(17) Uani 0.2996(8) 1 d D U P A
6
C5IA C 1.0029(2) 0.49071(18) 0.33918(13) 0.0923(15) Uani 0.2996(8) 1 d D U P A
6
C6EA C 0.8414(2) 0.67034(17) 0.42937(13) 0.0730(13) Uani 0.2996(8) 1 d D U P A
6
C0EA C 0.7915(3) 0.6564(2) 0.36157(15) 0.0850(15) Uani 0.2996(8) 1 d D U P A 6
C7GA C 0.8346(2) 0.69064(19) 0.34833(13) 0.0943(16) Uani 0.2996(8) 1 d D U P A
6
C0FA C 0.9117(2) 0.60155(17) 0.27280(16) 0.0796(14) Uani 0.2996(8) 1 d D U P A
6
C1FA C 0.8461(2) 0.59447(16) 0.28392(16) 0.0906(16) Uani 0.2996(8) 1 d D U P A
6
C2FA C 0.8421(2) 0.54342(17) 0.29804(19) 0.1047(17) Uani 0.2996(8) 1 d D U P A
6
C6FA C 0.9060(2) 0.5198(2) 0.2973(2) 0.0995(17) Uani 0.2996(8) 1 d D U P A 6
C7FA C 0.9480(2) 0.55470(18) 0.27928(16) 0.0906(15) Uani 0.2996(8) 1 d D U P A
6
C3DA C 0.7840(2) 0.5588(2) 0.38731(14) 0.0857(15) Uani 0.2996(8) 1 d D U P A 6
C4GA C 0.7952(2) 0.64484(16) 0.40313(14) 0.0663(12) Uani 0.2996(8) 1 d D U P A
6
C3FA C 0.7837(2) 0.61574(18) 0.33373(15) 0.0941(16) Uani 0.2996(8) 1 d D U P A
6
C2JA C 0.7802(2) 0.5722(2) 0.34524(14) 0.0917(16) Uani 0.2996(8) 1 d D U P A 6
C0AA C 0.62554(7) 0.73931(5) 0.41721(4) 0.0445(3) Uani 1 1 d . . . B 5
C7AA C 0.69573(7) 0.75125(5) 0.42548(4) 0.0440(3) Uani 1 1 d . . . B 5
C8AA C 0.80342(7) 0.81015(5) 0.45114(4) 0.0449(3) Uani 1 1 d . . . B 5
C9AA C 0.71212(7) 0.76658(5) 0.35383(4) 0.0468(4) Uani 1 1 d . . . B 5
C0BA C 0.72093(7) 0.75243(5) 0.46558(4) 0.0452(3) Uani 1 1 d . . . B 5
C1BA C 0.49234(8) 1.10469(6) 0.70015(4) 0.0516(4) Uani 1 1 d . . . B 5
C7 C 0.59788(7) 0.69589(5) 0.42797(4) 0.0494(4) Uani 1 1 d . . . B 5
H7 H 0.6237 0.6674 0.4315 0.059 Uiso 1 1 calc R U . B 5
C8 C 0.33835(7) 0.77251(6) 0.49278(5) 0.0497(4) Uani 1 1 d . . . B 5
C9 C 0.77451(7) 0.78207(5) 0.47863(4) 0.0446(3) Uani 1 1 d . . . B 5
C10 C 0.73901(7) 0.79647(5) 0.32604(4) 0.0517(4) Uani 1 1 d . . . B 5
C11 C 0.42734(8) 1.08213(6) 0.69641(4) 0.0525(4) Uani 1 1 d . . . B 5
C12 C 0.37272(8) 1.10097(6) 0.67369(4) 0.0529(4) Uani 1 1 d . . . B 5
H12 H 0.3721 1.1342 0.6661 0.063 Uiso 1 1 calc R U . B 5
C13 C 0.83748(7) 0.85468(5) 0.46718(4) 0.0463(4) Uani 1 1 d . . . B 5
C14 C 0.58467(7) 0.77868(5) 0.40713(4) 0.0449(4) Uani 1 1 d . . . B 5
H14 H 0.6011 0.8072 0.3962 0.054 Uiso 1 1 calc R U . B 5
C15 C 0.79608(7) 0.82463(5) 0.33939(4) 0.0511(4) Uani 1 1 d . . . B 5
C16 C 0.73092(7) 0.77303(5) 0.39656(4) 0.0443(3) Uani 1 1 d . . . B 5
C17 C 0.65939(7) 0.71677(6) 0.29910(5) 0.0554(4) Uani 1 1 d . . . B 5
C18 C 0.82267(7) 0.82289(5) 0.37998(4) 0.0477(4) Uani 1 1 d . . . B 5
C19 C 0.27529(7) 0.98585(6) 0.65156(4) 0.0509(4) Uani 1 1 d . . . B 5
C20 C 0.63858(7) 0.66707(7) 0.28664(4) 0.0562(4) Uani 1 1 d . . . B 5
C21 C 0.78536(7) 0.80210(5) 0.40971(4) 0.0440(3) Uani 1 1 d . . . B 5
C22 C 0.25213(7) 0.86297(6) 0.57510(5) 0.0535(4) Uani 1 1 d . . . B 5
C23 C 0.24251(7) 0.90429(6) 0.60209(5) 0.0541(4) Uani 1 1 d . . . B 5
C24 C 0.31809(8) 1.02270(6) 0.67213(4) 0.0528(4) Uani 1 1 d . . . B 5
C25 C 0.49444(7) 0.73498(5) 0.42864(4) 0.0463(4) Uani 1 1 d . . . B 5
C26 C 0.53357(8) 0.69362(5) 0.43356(4) 0.0503(4) Uani 1 1 d . . . B 5
H26 H 0.5157 0.6637 0.4408 0.060 Uiso 1 1 calc R U . B 5
C27 C 0.80477(7) 0.89858(5) 0.45784(4) 0.0483(4) Uani 1 1 d . . . B 5
H27 H 0.7732 0.9003 0.4350 0.058 Uiso 1 1 calc R U . B 5
C28 C 0.67434(7) 0.72672(6) 0.33924(4) 0.0504(4) Uani 1 1 d . . . B 5
H28 H 0.6583 0.7056 0.3579 0.060 Uiso 1 1 calc R U . B 5
C29 C 0.51059(8) 1.13234(6) 0.66888(5) 0.0521(4) Uani 1 1 d . . . B 5
H29 H 0.4785 1.1482 0.6510 0.063 Uiso 1 1 calc R U . B 5
C30 C 0.57460(8) 1.13701(6) 0.66360(5) 0.0530(4) Uani 1 1 d . . . B 5
H30 H 0.5857 1.1559 0.6419 0.064 Uiso 1 1 calc R U . B 5
C31 C 0.31912(8) 1.07207(6) 0.66193(5) 0.0534(4) Uani 1 1 d . . . B 5
H31 H 0.2824 1.0861 0.6467 0.064 Uiso 1 1 calc R U . B 5
C32 C 0.25240(7) 0.99126(6) 0.61088(5) 0.0532(4) Uani 1 1 d . . . B 5
H32 H 0.2479 1.0229 0.5996 0.064 Uiso 1 1 calc R U . B 5
C33 C 0.88827(7) 0.83399(5) 0.39029(5) 0.0489(4) Uani 1 1 d . . . B 5
H33 H 0.9063 0.8315 0.4175 0.059 Uiso 1 1 calc R U . B 5
C34 C 0.37837(8) 0.73297(6) 0.50456(5) 0.0554(4) Uani 1 1 d . . . B 5
H34 H 0.3734 0.7164 0.5287 0.067 Uiso 1 1 calc R U . B 5
C35 C 0.43300(7) 0.73989(5) 0.44598(4) 0.0478(4) Uani 1 1 d . . . B 5
C36 C 0.62344(8) 1.11477(6) 0.68922(5) 0.0546(4) Uani 1 1 d . . . B 5
C37 C 0.52049(7) 0.77644(5) 0.41301(4) 0.0457(4) Uani 1 1 d . . . B 5
H37 H 0.4934 0.8037 0.4063 0.055 Uiso 1 1 calc R U . B 5
C38 C 0.30121(7) 0.79815(6) 0.52100(5) 0.0503(4) Uani 1 1 d . . . B 5
C39 C 0.23629(7) 0.95103(6) 0.58694(5) 0.0531(4) Uani 1 1 d . . . B 5
H39 H 0.2206 0.9557 0.5595 0.064 Uiso 1 1 calc R U . B 5
C40 C 0.88928(7) 0.85597(6) 0.49759(5) 0.0528(4) Uani 1 1 d . . . B 5
H40 H 0.9162 0.8282 0.5023 0.063 Uiso 1 1 calc R U . B 5
C41 C 0.99882(8) 0.84325(5) 0.37249(5) 0.0547(4) Uani 1 1 d . . . B 5
C42 C 0.79021(7) 0.78965(5) 0.52260(4) 0.0467(4) Uani 1 1 d . . . B 5
C43 C 0.92789(8) 0.84845(6) 0.36237(5) 0.0556(4) Uani 1 1 d . . . B 5
C44 C 0.68468(7) 0.73080(6) 0.49714(4) 0.0471(4) Uani 1 1 d . . . B 5
C45 C 0.34101(7) 0.79094(6) 0.45448(5) 0.0484(4) Uani 1 1 d . . . B 5
H45 H 0.3110 0.8151 0.4441 0.058 Uiso 1 1 calc R U . B 5
C46 C 0.81764(7) 0.93922(6) 0.48126(5) 0.0504(4) Uani 1 1 d . . . B 5
H46 H 0.7945 0.9684 0.4743 0.061 Uiso 1 1 calc R U . B 5
C47 C 0.68575(8) 1.10305(6) 0.67484(5) 0.0564(4) Uani 1 1 d . . . B 5
C48 C 1.02939(8) 0.84465(6) 0.41149(5) 0.0600(4) Uani 1 1 d . . . B 5
H48 H 1.0081 0.8595 0.4316 0.072 Uiso 1 1 calc R U . B 5
C49 C 0.25131(7) 0.83057(6) 0.50851(5) 0.0516(4) Uani 1 1 d . . . B 5
H49 H 0.2335 0.8310 0.4812 0.062 Uiso 1 1 calc R U . B 5
C50 C 0.38674(7) 0.77449(6) 0.43150(5) 0.0488(4) Uani 1 1 d . . . B 5
H50 H 0.3868 0.7869 0.4053 0.059 Uiso 1 1 calc R U . B 5
C51 C 1.12319(7) 0.80257(6) 0.39311(5) 0.0549(4) Uani 1 1 d . . . B 5
C52 C 1.17781(7) 0.76824(6) 0.40409(5) 0.0535(4) Uani 1 1 d . . . B 5
C53 C 1.21823(7) 0.75305(6) 0.37612(5) 0.0561(4) Uani 1 1 d . . . B 5
H53 H 1.2195 0.7713 0.3524 0.067 Uiso 1 1 calc R U . B 5
C54 C 0.81664(8) 1.05364(6) 0.56435(5) 0.0570(4) Uani 1 1 d . . . B 5
H54 H 0.7993 1.0847 0.5567 0.068 Uiso 1 1 calc R U . B 5
C55 C 0.86196(7) 0.97720(6) 0.54546(5) 0.0539(4) Uani 1 1 d . . . B 5
C56 C 1.25580(7) 0.71233(6) 0.38265(5) 0.0566(4) Uani 1 1 d . . . B 5
H56 H 1.2833 0.7034 0.3635 0.068 Uiso 1 1 calc R U . B 5
C57 C 0.76595(7) 0.83003(6) 0.54058(4) 0.0529(4) Uani 1 1 d . . . B 5
H57 H 0.7422 0.8538 0.5244 0.063 Uiso 1 1 calc R U . B 5
C58 C 0.90223(7) 0.89680(6) 0.52098(5) 0.0539(4) Uani 1 1 d . . . B 5
H58 H 0.9378 0.8966 0.5416 0.065 Uiso 1 1 calc R U . B 5
C59 C 0.42517(8) 0.71742(6) 0.48182(5) 0.0552(4) Uani 1 1 d . . . B 5
H59 H 0.4523 0.6910 0.4909 0.066 Uiso 1 1 calc R U . B 5
C60 C 0.29778(8) 0.82731(6) 0.58828(5) 0.0591(5) Uani 1 1 d . . . B 5
H60 H 0.3126 0.8246 0.6160 0.071 Uiso 1 1 calc R U . B 5
C61 C 0.86376(7) 0.93865(6) 0.51487(5) 0.0514(4) Uani 1 1 d . . . B 5
C62 C 0.26916(8) 0.93926(6) 0.66761(5) 0.0582(4) Uani 1 1 d . . . B 5
H62 H 0.2760 0.9352 0.6958 0.070 Uiso 1 1 calc R U . B 5
C63 C 1.09591(8) 0.80687(6) 0.35328(5) 0.0586(4) Uani 1 1 d . . . B 5
H63 H 1.1195 0.7958 0.3328 0.070 Uiso 1 1 calc R U . B 5
C64 C 0.71596(8) 0.79015(6) 0.28532(5) 0.0595(4) Uani 1 1 d . . . B 5
H64 H 0.7278 0.8131 0.2665 0.071 Uiso 1 1 calc R U . B 5
C65 C 0.67723(8) 0.75214(7) 0.27220(5) 0.0624(5) Uani 1 1 d . . . B 5
H65 H 0.6620 0.7493 0.2446 0.075 Uiso 1 1 calc R U . B 5
C66 C 1.22104(7) 0.70214(6) 0.44652(5) 0.0556(4) Uani 1 1 d . . . B 5
H66 H 1.2238 0.6862 0.4716 0.067 Uiso 1 1 calc R U . B 5
C67 C 0.22701(7) 0.86212(6) 0.53484(5) 0.0539(4) Uani 1 1 d . . . B 5
H67 H 0.1927 0.8835 0.5253 0.065 Uiso 1 1 calc R U . B 5
C68 C 0.60228(8) 0.73806(7) 0.54061(5) 0.0645(5) Uani 1 1 d . . . B 5
H68 H 0.5679 0.7563 0.5491 0.077 Uiso 1 1 calc R U . B 5
C69 C 0.25368(8) 0.89953(6) 0.64401(5) 0.0601(4) Uani 1 1 d . . . B 5
H69 H 0.2504 0.8685 0.6559 0.072 Uiso 1 1 calc R U . B 5
C70 C 1.25479(7) 0.68345(7) 0.41691(5) 0.0557(4) Uani 1 1 d . . . B 5
C71 C 0.65476(8) 0.51315(7) 0.27817(5) 0.0631(5) Uani 1 1 d . . . B 5
C72 C 0.61855(9) 0.69353(7) 0.55856(5) 0.0646(5) Uani 1 1 d . . . B 5
C73 C 0.63622(7) 0.56485(7) 0.27602(5) 0.0587(5) Uani 1 1 d . . . B 5
C74 C 1.18366(7) 0.74338(6) 0.44014(5) 0.0543(4) Uani 1 1 d . . . B 5
H74 H 1.1613 0.7551 0.4610 0.065 Uiso 1 1 calc R U . B 5
C75 C 0.60550(9) 1.09487(6) 0.72466(5) 0.0600(5) Uani 1 1 d . . . B 5
H75 H 0.6380 1.0846 0.7452 0.072 Uiso 1 1 calc R U . B 5
C76 C 0.60558(7) 0.63674(7) 0.31050(5) 0.0615(5) Uani 1 1 d . . . B 5
H76 H 0.5837 0.6507 0.3307 0.074 Uiso 1 1 calc R U . B 5
C77 C 0.78280(8) 1.06447(6) 0.63215(5) 0.0567(4) Uani 1 1 d . . . B 5
C78 C 0.42343(9) 1.03469(7) 0.70981(5) 0.0651(5) Uani 1 1 d . . . B 5
H78 H 0.4583 1.0218 0.7275 0.078 Uiso 1 1 calc R U . B 5
C79 C 0.82107(8) 1.03946(6) 0.60407(5) 0.0558(4) Uani 1 1 d . . . B 5
C80 C 0.83488(9) 0.84561(6) 0.31227(5) 0.0614(4) Uani 1 1 d . . . B 5
H80 H 0.8163 0.8515 0.2856 0.074 Uiso 1 1 calc R U . B 5
C81 C 1.09013(8) 0.82494(6) 0.42171(5) 0.0585(4) Uani 1 1 d . . . B 5
H81 H 1.1098 0.8266 0.4486 0.070 Uiso 1 1 calc R U . B 5
C82 C 0.77578(8) 0.83599(7) 0.58116(5) 0.0608(5) Uani 1 1 d . . . B 5
H82 H 0.7589 0.8640 0.5926 0.073 Uiso 1 1 calc R U . B 5
C83 C 0.63488(8) 0.75642(6) 0.51073(5) 0.0576(4) Uani 1 1 d . . . B 5
H83 H 0.6228 0.7872 0.4993 0.069 Uiso 1 1 calc R U . B 5
C84 C 0.83692(8) 1.02345(6) 0.53577(5) 0.0570(4) Uani 1 1 d . . . B 5
H84 H 0.8338 1.0343 0.5089 0.068 Uiso 1 1 calc R U . B 5
C85 C 0.66145(8) 0.59577(7) 0.24904(5) 0.0600(5) Uani 1 1 d . . . B 5
H85 H 0.6782 0.5822 0.2266 0.072 Uiso 1 1 calc R U . B 5
C86 C 1.27563(7) 0.63203(7) 0.41836(5) 0.0572(4) Uani 1 1 d . . . B 5
C87 C 0.83476(9) 0.76213(6) 0.58797(5) 0.0608(5) Uani 1 1 d . . . B 5
H87 H 0.8589 0.7385 0.6040 0.073 Uiso 1 1 calc R U . B 5
C88 C 0.54160(9) 1.09017(6) 0.72984(5) 0.0579(4) Uani 1 1 d . . . B 5
H88 H 0.5306 1.0768 0.7540 0.069 Uiso 1 1 calc R U . B 5
C89 C 0.70132(8) 0.68612(6) 0.51435(5) 0.0568(4) Uani 1 1 d . . . B 5
H89 H 0.7353 0.6678 0.5055 0.068 Uiso 1 1 calc R U . B 5
C90 C 0.89813(9) 0.85753(6) 0.32342(5) 0.0615(4) Uani 1 1 d . . . B 5
H90 H 0.9223 0.8721 0.3046 0.074 Uiso 1 1 calc R U . B 5
C91 C 0.66268(8) 0.64543(7) 0.25417(5) 0.0590(5) Uani 1 1 d . . . B 5
H91 H 0.6803 0.6654 0.2353 0.071 Uiso 1 1 calc R U . B 5
C92 C 1.03568(8) 0.82677(6) 0.34320(5) 0.0590(4) Uani 1 1 d . . . B 5
H92 H 1.0186 0.8294 0.3158 0.071 Uiso 1 1 calc R U . B 5
C93 C 0.71322(8) 1.13088(6) 0.64707(5) 0.0596(5) Uani 1 1 d . . . B 5
H93 H 0.6991 1.1634 0.6422 0.072 Uiso 1 1 calc R U . B 5
C94 C 0.81004(9) 0.80179(7) 0.60609(5) 0.0603(5) Uani 1 1 d . . . B 5
C95 C 0.82510(8) 0.75604(6) 0.54697(5) 0.0548(4) Uani 1 1 d . . . B 5
H95 H 0.8427 0.7284 0.5354 0.066 Uiso 1 1 calc R U . B 5
C96 C 1.27335(8) 0.60581(7) 0.38288(5) 0.0640(5) Uani 1 1 d . . . B 5
H96 H 1.2729 0.6229 0.3584 0.077 Uiso 1 1 calc R U . B 5
C97 C 0.67803(9) 0.48844(7) 0.24628(5) 0.0677(5) Uani 1 1 d . . . B 5
H97 H 0.6682 0.5008 0.2199 0.081 Uiso 1 1 calc R U . B 5
C98 C 0.66873(9) 0.66785(7) 0.54453(5) 0.0655(5) Uani 1 1 d . . . B 5
H98 H 0.6809 0.6371 0.5559 0.079 Uiso 1 1 calc R U . B 5
C99 C 0.37080(9) 1.00593(7) 0.69837(5) 0.0654(5) Uani 1 1 d . . . B 5
H99 H 0.3700 0.9738 0.7085 0.078 Uiso 1 1 calc R U . B 5
C100 C 0.90764(11) 0.35303(6) 0.32905(6) 0.0722(5) Uani 1 1 d . . . B 5
C101 C 0.87400(8) 0.96553(7) 0.58594(5) 0.0620(5) Uani 1 1 d . . . B 5
H101 H 0.8960 0.9362 0.5940 0.074 Uiso 1 1 calc R U . B 5
C102 C 0.73038(9) 0.42671(6) 0.29056(5) 0.0671(5) Uani 1 1 d . . . B 5
C103 C 0.76029(8) 1.11243(6) 0.62645(6) 0.0612(5) Uani 1 1 d . . . B 5
H103 H 0.7781 1.1326 0.6078 0.073 Uiso 1 1 calc R U . B 5
C104 C 0.66296(8) 0.48896(7) 0.31492(5) 0.0654(5) Uani 1 1 d . . . B 5
H104 H 0.6427 0.5018 0.3363 0.078 Uiso 1 1 calc R U . B 5
C105 C 0.71242(9) 1.05697(7) 0.68340(5) 0.0666(5) Uani 1 1 d . . . B 5
H105 H 0.6982 1.0383 0.7043 0.080 Uiso 1 1 calc R U . B 5
C106 C 0.32153(8) 0.79609(6) 0.56178(5) 0.0572(4) Uani 1 1 d . . . B 5
H106 H 0.3527 0.7725 0.5717 0.069 Uiso 1 1 calc R U . B 5
C107 C 0.60428(8) 0.58726(8) 0.30525(5) 0.0642(5) Uani 1 1 d . . . B 5
H107 H 0.5812 0.5677 0.3218 0.077 Uiso 1 1 calc R U . B 5
C108 C 0.97553(11) 0.34784(6) 0.34782(6) 0.0729(6) Uani 1 1 d . . . B 5
C109 C 1.27202(8) 0.52902(7) 0.41763(6) 0.0671(5) Uani 1 1 d . . . B 5
C110 C 0.85422(9) 0.99631(7) 0.61452(5) 0.0636(5) Uani 1 1 d . . . B 5
H110 H 0.8634 0.9878 0.6419 0.076 Uiso 1 1 calc R U . B 5
C111 C 0.69905(9) 0.44753(7) 0.32111(5) 0.0677(5) Uani 1 1 d . . . B 5
H111 H 0.7031 0.4324 0.3466 0.081 Uiso 1 1 calc R U . B 5
C112 C 0.78487(10) 0.39289(6) 0.30042(5) 0.0682(5) Uani 1 1 d . . . B 5
C113 C 1.27172(9) 0.55587(7) 0.38250(6) 0.0671(5) Uani 1 1 d . . . B 5
H113 H 1.2704 0.5392 0.3578 0.080 Uiso 1 1 calc R U . B 5
C114 C 1.20929(10) 0.46088(8) 0.44299(6) 0.0744(6) Uani 1 1 d . . . B 5
H114 H 1.2114 0.4760 0.4684 0.089 Uiso 1 1 calc R U . B 5
C115 C 1.16282(10) 0.39833(6) 0.39739(6) 0.0762(5) Uani 1 1 d . . . B 5
C116 C 0.89398(11) 0.37297(6) 0.29089(5) 0.0710(5) Uani 1 1 d . . . B 5
H116 H 0.9269 0.3732 0.2739 0.085 Uiso 1 1 calc R U . B 5
C117 C 1.28502(8) 0.60549(8) 0.45342(6) 0.0676(5) Uani 1 1 d . . . B 5
H117 H 1.2931 0.6222 0.4782 0.081 Uiso 1 1 calc R U . B 5
C118 C 0.71456(9) 0.44698(7) 0.25235(5) 0.0697(5) Uani 1 1 d . . . B 5
H118 H 0.7296 0.4316 0.2301 0.084 Uiso 1 1 calc R U . B 5
C119 C 1.24815(9) 0.47869(7) 0.41511(6) 0.0734(5) Uani 1 1 d . . . B 5
C120 C 0.75872(9) 1.03814(7) 0.66223(5) 0.0667(5) Uani 1 1 d . . . B 5
H120 H 0.7747 1.0063 0.6683 0.080 Uiso 1 1 calc R U . B 5
C121 C 0.83503(10) 0.39222(7) 0.27704(5) 0.0705(5) Uani 1 1 d . . . B 5
H121 H 0.8282 0.4054 0.2508 0.085 Uiso 1 1 calc R U . B 5
C122 C 0.85469(12) 0.34817(7) 0.35039(6) 0.0866(6) Uani 1 1 d . . . B 5
H122 H 0.8600 0.3312 0.3751 0.104 Uiso 1 1 calc R U . B 5
C123 C 1.10410(11) 0.37036(6) 0.38219(6) 0.0735(5) Uani 1 1 d . . . B 5
C124 C 1.28285(9) 0.55509(8) 0.45328(6) 0.0733(6) Uani 1 1 d . . . B 5
H124 H 1.2888 0.5380 0.4779 0.088 Uiso 1 1 calc R U . B 5
C125 C 1.16844(11) 0.42223(7) 0.43429(6) 0.0761(6) Uani 1 1 d . . . B 5
H125 H 1.1431 0.4113 0.4540 0.091 Uiso 1 1 calc R U . B 5
C126 C 0.99255(12) 0.35185(7) 0.38895(6) 0.0807(6) Uani 1 1 d . . . B 5
H126 H 0.9602 0.3473 0.4060 0.097 Uiso 1 1 calc R U . B 5
C127 C 1.02701(12) 0.34780(8) 0.32510(6) 0.0847(6) Uani 1 1 d . . . B 5
H127 H 1.0191 0.3400 0.2975 0.102 Uiso 1 1 calc R U . B 5
C128 C 1.05441(11) 0.36216(7) 0.40562(6) 0.0777(6) Uani 1 1 d . . . B 5
H128 H 1.0638 0.3638 0.4339 0.093 Uiso 1 1 calc R U . B 5
C129 C 0.79562(11) 0.36715(7) 0.33665(6) 0.0846(6) Uani 1 1 d . . . B 5
H129 H 0.7609 0.3629 0.3520 0.101 Uiso 1 1 calc R U . B 5
C130 C 0.58524(10) 0.67308(9) 0.59277(6) 0.0843(6) Uani 1 1 d . . . B 5
C131 C 1.08875(11) 0.35885(8) 0.34183(6) 0.0856(6) Uani 1 1 d . . . B 5
H131 H 1.1223 0.3586 0.3253 0.103 Uiso 1 1 calc R U . B 5
C132 C 0.81652(12) 0.80837(9) 0.65138(6) 0.0820(7) Uani 1 1 d . . . B 5
C133 C 1.25146(11) 0.44887(8) 0.38219(7) 0.0910(7) Uani 1 1 d . . . B 5
H133 H 1.2832 0.4555 0.3651 0.109 Uiso 1 1 calc R U . B 5
C134 C 1.21059(12) 0.41029(8) 0.37353(7) 0.0919(7) Uani 1 1 d . . . B 5
H134 H 1.2148 0.3911 0.3506 0.110 Uiso 1 1 calc R U . B 5
C3Z C 0.85661(16) 0.76944(11) 0.67339(6) 0.1175(10) Uani 1 1 d . . . B 5
H3ZA H 0.8360 0.7378 0.6676 0.176 Uiso 1 1 calc R U . B 5
H3ZB H 0.8603 0.7758 0.7022 0.176 Uiso 1 1 calc R U . B 5
H3ZC H 0.8997 0.7693 0.6648 0.176 Uiso 1 1 calc R U . B 5
C4Z C 0.52206(12) 0.69986(13) 0.59698(8) 0.1207(10) Uani 1 1 d . . . B 5
H4ZA H 0.5031 0.6867 0.6198 0.181 Uiso 1 1 calc R U . B 5
H4ZB H 0.4918 0.6954 0.5726 0.181 Uiso 1 1 calc R U . B 5
H4ZC H 0.5309 0.7346 0.6012 0.181 Uiso 1 1 calc R U . B 5
C6Z C 0.56618(16) 0.62000(12) 0.58436(10) 0.1491(10) Uani 1 1 d . . . B 5
H6ZA H 0.6052 0.6002 0.5846 0.224 Uiso 1 1 calc R U . B 5
H6ZB H 0.5403 0.6176 0.5581 0.224 Uiso 1 1 calc R U . B 5
H6ZC H 0.5408 0.6083 0.6049 0.224 Uiso 1 1 calc R U . B 5
C1Z C 0.8466(2) 0.85732(12) 0.66240(8) 0.1674(17) Uani 1 1 d . . . B 5
H1ZA H 0.8229 0.8827 0.6463 0.251 Uiso 1 1 calc R U . B 5
H1ZB H 0.8917 0.8572 0.6573 0.251 Uiso 1 1 calc R U . B 5
H1ZC H 0.8446 0.8637 0.6908 0.251 Uiso 1 1 calc R U . B 5
C5Z C 0.63109(15) 0.67673(16) 0.63100(7) 0.1445(13) Uani 1 1 d . . . B 5
H5ZA H 0.6704 0.6583 0.6283 0.217 Uiso 1 1 calc R U . B 5
H5ZB H 0.6104 0.6634 0.6531 0.217 Uiso 1 1 calc R U . B 5
H5ZC H 0.6422 0.7109 0.6365 0.217 Uiso 1 1 calc R U . B 5
C2Z C 0.74965(16) 0.80837(17) 0.66409(8) 0.1544(15) Uani 1 1 d . . . B 5
H2ZA H 0.7325 0.7752 0.6628 0.232 Uiso 1 1 calc R U . B 5
H2ZB H 0.7212 0.8294 0.6462 0.232 Uiso 1 1 calc R U . B 5
H2ZC H 0.7519 0.8206 0.6915 0.232 Uiso 1 1 calc R U . B 5
C141 C 0.53297(10) -0.09313(7) 0.43363(6) 0.0763(5) Uani 1 1 d . . . C 7
C142 C 0.64030(8) -0.03369(8) 0.45855(6) 0.0728(5) Uani 1 1 d . . . C 7
C143 C 0.57642(10) -0.10580(7) 0.46942(7) 0.0773(6) Uani 1 1 d . . . C 7
C144 C 0.59946(9) -0.02223(8) 0.42471(5) 0.0739(5) Uani 1 1 d . . . C 7
C145 C 0.54374(9) -0.05241(8) 0.41209(5) 0.0753(5) Uani 1 1 d . . . C 7
C146 C 0.62875(9) -0.07638(7) 0.48154(7) 0.0770(6) Uani 1 1 d . . . C 7
C147 C 0.53208(10) 0.10522(7) 0.55856(6) 0.0780(6) Uani 1 1 d . . . C 7
C148 C 0.41933(9) -0.02818(9) 0.58309(6) 0.0757(6) Uani 1 1 d . . . C 7
C149 C 0.66457(8) 0.00439(8) 0.48643(6) 0.0774(6) Uani 1 1 d . . . C 7
C150 C 0.52857(10) 0.12495(7) 0.51829(7) 0.0805(6) Uani 1 1 d . . . C 7
C151 C 0.42888(10) -0.03410(8) 0.40365(6) 0.0764(6) Uani 1 1 d . . . C 7
C152 C 0.49076(10) -0.02217(8) 0.39657(5) 0.0758(6) Uani 1 1 d . . . C 7
C153 C 0.59223(10) -0.05263(8) 0.58403(6) 0.0762(6) Uani 1 1 d . . . C 7
C154 C 0.46158(10) 0.12512(7) 0.50115(7) 0.0779(6) Uani 1 1 d . . . C 7
C155 C 0.66778(8) -0.01612(9) 0.52708(6) 0.0797(6) Uani 1 1 d . . . C 7
C156 C 0.58272(10) 0.07571(8) 0.57374(6) 0.0805(6) Uani 1 1 d . . . C 7
C157 C 0.63037(9) 0.08285(8) 0.51135(7) 0.0834(6) Uani 1 1 d . . . C 7
C158 C 0.60470(9) 0.06378(8) 0.44398(6) 0.0768(5) Uani 1 1 d . . . C 7
C159 C 0.57747(11) 0.11353(7) 0.49486(7) 0.0835(6) Uani 1 1 d . . . C 7
C160 C 0.63358(9) 0.06388(8) 0.54909(7) 0.0837(6) Uani 1 1 d . . . C 7
C161 C 0.61454(10) -0.00490(10) 0.58646(6) 0.0837(7) Uani 1 1 d . . . C 7
C162 C 0.49739(11) 0.10241(7) 0.43655(6) 0.0755(6) Uani 1 1 d . . . C 7
C163 C 0.64511(9) -0.06592(8) 0.52335(7) 0.0775(6) Uani 1 1 d . . . C 7
C164 C 0.48616(11) -0.02777(9) 0.60080(6) 0.0836(7) Uani 1 1 d . . . C 7
C165 C 0.64656(9) 0.05145(8) 0.47888(6) 0.0784(6) Uani 1 1 d . . . C 7
C166 C 0.52653(12) -0.06369(9) 0.59150(6) 0.0856(7) Uani 1 1 d . . . C 7
C167 C 0.65228(9) 0.01371(9) 0.55782(7) 0.0845(7) Uani 1 1 d . . . C 7
C168 C 0.44636(11) 0.11405(7) 0.46020(7) 0.0835(7) Uani 1 1 d . . . C 7
C169 C 0.60796(10) -0.08401(8) 0.55219(7) 0.0825(6) Uani 1 1 d . . . C 7
C170 C 0.56163(11) 0.10233(8) 0.45388(7) 0.0844(6) Uani 1 1 d . . . C 7
C6E C 0.46237(10) 0.70572(9) 0.28537(6) 0.0792(6) Uani 1 1 d . . . D 1
C1E C 0.45493(10) 0.66318(9) 0.26429(7) 0.0856(7) Uani 1 1 d . . . D 1
H1E H 0.4658 0.6621 0.2378 0.103 Uiso 1 1 calc R U . D 1
C7E C 0.48697(13) 0.75069(10) 0.26754(8) 0.1002(8) Uani 1 1 d . . . D 1
H7EA H 0.4516 0.7740 0.2617 0.150 Uiso 1 1 calc R U . D 1
H7EB H 0.5043 0.7424 0.2428 0.150 Uiso 1 1 calc R U . D 1
H7EC H 0.5212 0.7652 0.2864 0.150 Uiso 1 1 calc R U . D 1
C5E C 0.44686(12) 0.70568(10) 0.32385(7) 0.0939(8) Uani 1 1 d . . . D 1
H5E H 0.4523 0.7347 0.3391 0.113 Uiso 1 1 calc R U . D 1
C2E C 0.43179(12) 0.62159(10) 0.28089(9) 0.1035(9) Uani 1 1 d . . . D 1
H2E H 0.4270 0.5922 0.2660 0.124 Uiso 1 1 calc R U . D 1
C4E C 0.42412(13) 0.66546(12) 0.34048(8) 0.1077(10) Uani 1 1 d . . . D 1
H4E H 0.4140 0.6669 0.3671 0.129 Uiso 1 1 calc R U . D 1
C3E C 0.41550(13) 0.62338(12) 0.31988(9) 0.1093(9) Uani 1 1 d . . . D 1
H3E H 0.3987 0.5955 0.3316 0.131 Uiso 1 1 calc R U . D 1
C4D C 0.01457(12) 0.75903(8) 0.55267(7) 0.0883(7) Uani 1 1 d . . . E 1
H4D H -0.0262 0.7542 0.5372 0.106 Uiso 1 1 calc R U . E 1
C5D C 0.01856(11) 0.76926(8) 0.59347(7) 0.0859(7) Uani 1 1 d . . . E 1
H5D H -0.0197 0.7724 0.6057 0.103 Uiso 1 1 calc R U . E 1
C3D C 0.06945(13) 0.75606(9) 0.53544(7) 0.0948(7) Uani 1 1 d . . . E 1
H3D H 0.0671 0.7495 0.5077 0.114 Uiso 1 1 calc R U . E 1
C6D C 0.07816(14) 0.77487(8) 0.61593(6) 0.0909(8) Uani 1 1 d . . . E 1
C1D C 0.13111(12) 0.77125(9) 0.59618(8) 0.0972(8) Uani 1 1 d . . . E 1
H1D H 0.1728 0.7753 0.6107 0.117 Uiso 1 1 calc R U . E 1
C2D C 0.12623(13) 0.76216(10) 0.55695(8) 0.1011(8) Uani 1 1 d . . . E 1
H2D H 0.1643 0.7601 0.5444 0.121 Uiso 1 1 calc R U . E 1
C7D C 0.0840(3) 0.78332(13) 0.65957(8) 0.1645(18) Uani 1 1 d . . . E 1
H7DA H 0.0440 0.7979 0.6664 0.247 Uiso 1 1 calc R U . E 1
H7DB H 0.1202 0.8053 0.6676 0.247 Uiso 1 1 calc R U . E 1
H7DC H 0.0916 0.7523 0.6736 0.247 Uiso 1 1 calc R U . E 1
C1J C 0.55747(11) 0.56255(8) 0.41337(7) 0.0832(6) Uani 1 1 d . . . F 1
H1J H 0.5375 0.5662 0.3866 0.100 Uiso 1 1 calc R U . F 1
C5J C 0.54772(12) 0.55075(10) 0.48069(7) 0.0935(7) Uani 1 1 d . . . F 1
H5J H 0.5224 0.5474 0.5020 0.112 Uiso 1 1 calc R U . F 1
C3J C 0.65190(11) 0.55934(9) 0.46024(8) 0.0914(7) Uani 1 1 d . . . F 1
H3J H 0.6976 0.5611 0.4661 0.110 Uiso 1 1 calc R U . F 1
C6J C 0.51829(11) 0.55473(9) 0.44284(8) 0.0965(8) Uani 1 1 d . . . F 1
C4J C 0.61669(13) 0.55147(10) 0.48895(9) 0.1027(9) Uani 1 1 d . . . F 1
H4J H 0.6370 0.5462 0.5154 0.123 Uiso 1 1 calc R U . F 1
C2J C 0.62221(11) 0.56522(9) 0.42044(8) 0.0933(8) Uani 1 1 d . . . F 1
H2J H 0.6473 0.5709 0.3993 0.112 Uiso 1 1 calc R U . F 1
C7J C 0.44862(13) 0.55475(14) 0.43458(12) 0.1423(13) Uani 1 1 d . . . F 1
H7JA H 0.4305 0.5729 0.4555 0.213 Uiso 1 1 calc R U . F 1
H7JB H 0.4327 0.5212 0.4340 0.213 Uiso 1 1 calc R U . F 1
H7JC H 0.4355 0.5701 0.4087 0.213 Uiso 1 1 calc R U . F 1
C5F C 0.05629(17) 0.97209(16) 0.54367(18) 0.1107(15) Uani 0.5 1 d . . P G 1
H5F H 0.0520 0.9935 0.5214 0.133 Uiso 0.5 1 calc R U P G 1
C6F C 0.05486(19) 0.98965(16) 0.5816(2) 0.137(2) Uani 0.5 1 d . . P G 1
C1F C 0.0632(2) 0.9514(3) 0.6117(2) 0.127(2) Uani 0.5 1 d . . P G 1
H1F H 0.0642 0.9599 0.6391 0.152 Uiso 0.5 1 calc R U P G 1
C2F C 0.0690(2) 0.90798(18) 0.60254(18) 0.0947(16) Uani 0.5 1 d . . P G 1
H2F H 0.0718 0.8846 0.6234 0.114 Uiso 0.5 1 calc R U P G 1
C3F C 0.07151(17) 0.89254(16) 0.56729(18) 0.0990(17) Uani 0.5 1 d . . P G 1
H3F H 0.0787 0.8591 0.5624 0.119 Uiso 0.5 1 calc R U P G 1
C4F C 0.06404(15) 0.92333(17) 0.53859(19) 0.1079(16) Uani 0.5 1 d . . P G 1
H4F H 0.0639 0.9115 0.5121 0.129 Uiso 0.5 1 calc R U P G 1
C7F C 0.0460(4) 1.0357(3) 0.5863(3) 0.218(3) Uani 0.5 1 d . . P G 1
H7FA H 0.0807 1.0539 0.5760 0.328 Uiso 0.5 1 calc R U P G 1
H7FB H 0.0463 1.0428 0.6148 0.328 Uiso 0.5 1 calc R U P G 1
H7FC H 0.0043 1.0452 0.5717 0.328 Uiso 0.5 1 calc R U P G 1
C7K C 0.3238(2) 0.7605(2) 0.70423(15) 0.215(2) Uani 1 1 d . . . H 1
H7KA H 0.2905 0.7521 0.6821 0.323 Uiso 1 1 calc R U . H 1
H7KB H 0.3417 0.7926 0.6993 0.323 Uiso 1 1 calc R U . H 1
H7KC H 0.3046 0.7612 0.7292 0.323 Uiso 1 1 calc R U . H 1
C5K C 0.3717(2) 0.67995(17) 0.70436(15) 0.1724(15) Uani 1 1 d . U . H 1
H5K H 0.3301 0.6657 0.6987 0.207 Uiso 1 1 calc R U . H 1
C6K C 0.3737(2) 0.72536(17) 0.70705(17) 0.1784(8) Uani 1 1 d . U . H 1
C1K C 0.4361(2) 0.74419(18) 0.71399(15) 0.1784(8) Uani 1 1 d . U . H 1
H1K H 0.4423 0.7784 0.7142 0.214 Uiso 1 1 calc R U . H 1
C2K C 0.4894(2) 0.71358(17) 0.72059(16) 0.1784(8) Uani 1 1 d . U . H 1
H2K H 0.5314 0.7270 0.7267 0.214 Uiso 1 1 calc R U . H 1
C3K C 0.4817(2) 0.66567(17) 0.71842(15) 0.1784(8) Uani 1 1 d . U . H 1
H3K H 0.5182 0.6450 0.7240 0.214 Uiso 1 1 calc R U . H 1
C4K C 0.4255(2) 0.64702(19) 0.70891(16) 0.1815(16) Uani 1 1 d . U . H 1
H4K H 0.4198 0.6130 0.7051 0.218 Uiso 1 1 calc R U . H 1
C4H C 0.64951(9) 0.42757(7) 0.42014(5) 0.0907(15) Uani 0.4911(17) 1 d G . P I 1
H4H H 0.6256 0.4570 0.4198 0.109 Uiso 0.4911(17) 1 calc R U P I 1
C3H C 0.62102(10) 0.38602(8) 0.40232(7) 0.0946(15) Uani 0.4911(17) 1 d G . P I
1
H3H H 0.5777 0.3870 0.3898 0.113 Uiso 0.4911(17) 1 calc R U P I 1
C2H C 0.65597(13) 0.34298(7) 0.40285(8) 0.0871(13) Uani 0.4911(17) 1 d G . P I
1
H2H H 0.6365 0.3146 0.3907 0.105 Uiso 0.4911(17) 1 calc R U P I 1
C1H C 0.71942(13) 0.34149(8) 0.42119(9) 0.0814(12) Uani 0.4911(17) 1 d G . P I
1
H1H H 0.7433 0.3121 0.4216 0.098 Uiso 0.4911(17) 1 calc R U P I 1
C6H C 0.74791(10) 0.38305(9) 0.43901(8) 0.0679(10) Uani 0.4911(17) 1 d G . P I
1
C5H C 0.71296(10) 0.42609(8) 0.43848(6) 0.0710(11) Uani 0.4911(17) 1 d G . P I
1
H5H H 0.7324 0.4545 0.4507 0.085 Uiso 0.4911(17) 1 calc R U P I 1
C7H C 0.8168(2) 0.38147(19) 0.45747(15) 0.0908(15) Uani 0.4911(17) 1 d . . P I
1
H7HA H 0.8429 0.4022 0.4422 0.136 Uiso 0.4911(17) 1 calc R U P I 1
H7HB H 0.8327 0.3480 0.4573 0.136 Uiso 0.4911(17) 1 calc R U P I 1
H7HC H 0.8200 0.3932 0.4851 0.136 Uiso 0.4911(17) 1 calc R U P I 1
C6G C 0.68060(10) 0.40091(7) 0.42745(5) 0.0881(12) Uani 0.5089(17) 1 d G . P I
2
C1G C 0.68508(12) 0.35073(7) 0.42386(8) 0.0950(14) Uani 0.5089(17) 1 d G . P I
2
H1G H 0.6482 0.3324 0.4134 0.114 Uiso 0.5089(17) 1 calc R U P I 2
C2G C 0.74343(13) 0.32740(8) 0.43563(10) 0.0978(14) Uani 0.5089(17) 1 d G . P I
2
H2G H 0.7465 0.2931 0.4332 0.117 Uiso 0.5089(17) 1 calc R U P I 2
C3G C 0.79731(11) 0.35424(11) 0.45099(9) 0.0859(13) Uani 0.5089(17) 1 d G . P I
2
H3G H 0.8372 0.3383 0.4590 0.103 Uiso 0.5089(17) 1 calc R U P I 2
C4G C 0.79284(10) 0.40441(11) 0.45458(8) 0.0857(12) Uani 0.5089(17) 1 d G . P I
2
H4G H 0.8297 0.4228 0.4651 0.103 Uiso 0.5089(17) 1 calc R U P I 2
C5G C 0.73449(11) 0.42775(8) 0.44281(7) 0.0899(13) Uani 0.5089(17) 1 d G . P I
2
H5G H 0.7314 0.4620 0.4453 0.108 Uiso 0.5089(17) 1 calc R U P I 2
C7G C 0.6152(3) 0.4235(2) 0.4154(2) 0.136(2) Uani 0.5089(17) 1 d . . P I 2
H7GA H 0.5892 0.4020 0.3966 0.204 Uiso 0.5089(17) 1 calc R U P I 2
H7GB H 0.6206 0.4550 0.4026 0.204 Uiso 0.5089(17) 1 calc R U P I 2
H7GC H 0.5934 0.4283 0.4391 0.204 Uiso 0.5089(17) 1 calc R U P I 2
C2N C 0.5845(3) 0.8662(2) 0.6768(2) 0.165(2) Uani 0.5953(17) 1 d D . P J 3
H2N H 0.6300 0.8617 0.6802 0.198 Uiso 0.5953(17) 1 calc R U P J 3
C3N C 0.5429(5) 0.8302(3) 0.6606(3) 0.214(4) Uani 0.5953(17) 1 d . . P J 3
H3N H 0.5607 0.8021 0.6498 0.257 Uiso 0.5953(17) 1 calc R U P J 3
C4N C 0.4714(4) 0.8334(3) 0.6594(2) 0.227(3) Uani 0.5953(17) 1 d . . P J 3
H4N H 0.4446 0.8061 0.6524 0.272 Uiso 0.5953(17) 1 calc R U P J 3
C5N C 0.4500(4) 0.8697(2) 0.66713(15) 0.143(2) Uani 0.5953(17) 1 d . . P J 3
H5N H 0.4044 0.8735 0.6639 0.172 Uiso 0.5953(17) 1 calc R U P J 3
C6N C 0.4916(2) 0.9112(2) 0.68211(12) 0.1131(15) Uani 0.5953(17) 1 d D . P J 3
H6N H 0.4714 0.9408 0.6880 0.136 Uiso 0.5953(17) 1 calc R U P J 3
C1N C 0.5567(3) 0.90914(18) 0.68776(13) 0.1089(16) Uani 0.5953(17) 1 d D . P J
3
C7N C 0.5952(3) 0.9496(2) 0.70198(16) 0.136(2) Uani 0.5953(17) 1 d D . P J 3
H7NA H 0.6410 0.9407 0.7040 0.204 Uiso 0.5953(17) 1 calc R U P J 3
H7NB H 0.5866 0.9768 0.6834 0.204 Uiso 0.5953(17) 1 calc R U P J 3
H7NC H 0.5847 0.9591 0.7284 0.204 Uiso 0.5953(17) 1 calc R U P J 3
C5M C 0.7759(4) 0.9518(4) 0.7481(3) 0.173(3) Uani 0.4047(17) 1 d . . P J 4
H5M H 0.8199 0.9467 0.7447 0.208 Uiso 0.4047(17) 1 calc R U P J 4
C6M C 0.7259(5) 0.9309(3) 0.7195(2) 0.192(3) Uani 0.4047(17) 1 d . . P J 4
H6M H 0.7360 0.9110 0.6981 0.231 Uiso 0.4047(17) 1 calc R U P J 4
C1M C 0.6586(3) 0.9421(2) 0.72511(16) 0.101(2) Uani 0.4047(17) 1 d D . P J 4
C2M C 0.6561(3) 0.9728(2) 0.75682(15) 0.0915(17) Uani 0.4047(17) 1 d . . P J 4
H2M H 0.6150 0.9840 0.7621 0.110 Uiso 0.4047(17) 1 calc R U P J 4
C3M C 0.7074(3) 0.9877(3) 0.78039(16) 0.102(2) Uani 0.4047(17) 1 d . . P J 4
H3M H 0.7023 1.0087 0.8021 0.122 Uiso 0.4047(17) 1 calc R U P J 4
C4M C 0.7642(5) 0.9742(4) 0.7745(2) 0.155(4) Uani 0.4047(17) 1 d . . P J 4
H4M H 0.7991 0.9837 0.7937 0.186 Uiso 0.4047(17) 1 calc R U P J 4
C7M C 0.6017(5) 0.9203(4) 0.6990(3) 0.250(5) Uani 0.4047(17) 1 d D . P J 4
H7MA H 0.5868 0.9430 0.6774 0.375 Uiso 0.4047(17) 1 calc R U P J 4
H7MB H 0.5665 0.9143 0.7150 0.375 Uiso 0.4047(17) 1 calc R U P J 4
H7MC H 0.6146 0.8897 0.6876 0.375 Uiso 0.4047(17) 1 calc R U P J 4
C2L C 0.77904(10) 0.78132(12) 0.77712(6) 0.0940(12) Uani 0.5 1 d DG U P K 1
H2L H 0.8148 0.8017 0.7859 0.113 Uiso 0.5 1 calc R U P K 1
C1L C 0.71712(12) 0.80073(13) 0.77097(8) 0.1131(13) Uani 0.5 1 d DG U P K 1
C6L C 0.66479(11) 0.77097(18) 0.75814(10) 0.1194(15) Uani 0.5 1 d DG U P K 1
H6L H 0.6225 0.7842 0.7539 0.143 Uiso 0.5 1 calc R U P K 1
C5L C 0.67437(17) 0.72181(17) 0.75145(11) 0.1358(17) Uani 0.5 1 d G U P K 1
H5L H 0.6386 0.7015 0.7427 0.163 Uiso 0.5 1 calc R U P K 1
C4L C 0.7363(2) 0.70240(13) 0.75761(12) 0.1442(18) Uani 0.5 1 d G U P K 1
H4L H 0.7428 0.6688 0.7530 0.173 Uiso 0.5 1 calc R U P K 1
C3L C 0.78863(15) 0.73216(12) 0.77044(8) 0.1110(14) Uani 0.5 1 d G U P K 1
H3L H 0.8310 0.7189 0.7746 0.133 Uiso 0.5 1 calc R U P K 1
C7L C 0.7076(3) 0.8509(2) 0.77272(19) 0.143(2) Uani 0.5 1 d D U P K 1
H7LA H 0.7493 0.8675 0.7745 0.214 Uiso 0.5 1 calc R U P K 1
H7LB H 0.6866 0.8588 0.7963 0.214 Uiso 0.5 1 calc R U P K 1
H7LC H 0.6800 0.8616 0.7486 0.214 Uiso 0.5 1 calc R U P K 1
C0KA C 0.5293(3) 0.5179(3) 0.7293(3) 0.2152(7) Uani 0.5 1 d D U P L 1
H0KA H 0.5003 0.4927 0.7196 0.258 Uiso 0.5 1 calc R U P L 1
C0IA C 0.6233(3) 0.5829(3) 0.7610(2) 0.2152(7) Uani 0.5 1 d D U P L 1
H0IA H 0.6578 0.6034 0.7719 0.258 Uiso 0.5 1 calc R U P L 1
C3JA C 0.5344(3) 0.5310(3) 0.7667(2) 0.2152(7) Uani 0.5 1 d D U P L 1
C7JA C 0.6137(3) 0.5718(2) 0.7147(2) 0.2152(7) Uani 0.5 1 d D U P L 1
H7JD H 0.6405 0.5865 0.6974 0.258 Uiso 0.5 1 calc R U P L 1
C3IA C 0.5891(4) 0.5665(3) 0.78160(19) 0.2152(7) Uani 0.5 1 d D U P L 1
H3IA H 0.5949 0.5754 0.8090 0.258 Uiso 0.5 1 calc R U P L 1
C0DA C 0.6761(3) 0.7242(2) 0.75219(19) 0.167(2) Uani 0.5 1 d D U P K -1
H0DA H 0.6499 0.6971 0.7433 0.200 Uiso 0.5 1 calc R U P K -1
C5HA C 1.0120(3) 0.6449(2) 0.29671(16) 0.1047(17) Uani 0.2996(8) 1 d D U P A 6
C4EA C 0.7919(2) 0.59424(16) 0.41504(15) 0.0778(14) Uani 0.2996(8) 1 d D U P A
6
C4JA C 0.8130(3) 0.53425(17) 0.32508(16) 0.1069(17) Uani 0.2996(8) 1 d D U P A
6
C4KA C 1.0500(2) 0.50306(18) 0.40536(13) 0.1018(16) Uani 0.2996(8) 1 d D U P A
6
C3HA C 0.9389(2) 0.7221(2) 0.35947(15) 0.0849(15) Uani 0.2996(8) 1 d D U P A 6
C0GA C 0.8799(2) 0.70463(17) 0.41484(12) 0.0779(13) Uani 0.2996(8) 1 d D U P A
6
C7EA C 0.9832(3) 0.7184(2) 0.39685(14) 0.0888(15) Uani 0.2996(8) 1 d D U P A 6
C7HA C 0.9487(2) 0.70748(19) 0.42990(14) 0.0917(16) Uani 0.2996(8) 1 d D U P A
6
C2IA C 0.8679(2) 0.63676(15) 0.46079(15) 0.0895(15) Uani 0.2996(8) 1 d D U P A
6
C4FA C 0.9349(2) 0.63916(15) 0.47532(16) 0.0940(16) Uani 0.2996(8) 1 d D U P A
6
C5EA C 1.0365(2) 0.65173(17) 0.45684(17) 0.1163(17) Uani 0.2996(8) 1 d D U P A
6
C9DA C 1.1050(3) 0.62543(19) 0.40823(14) 0.1060(17) Uani 0.2996(8) 1 d D U P A
6
C9IA C 1.0654(2) 0.56630(19) 0.45374(15) 0.1028(17) Uani 0.2996(8) 1 d D U P A
6
C8EA C 1.1023(3) 0.57850(19) 0.42060(13) 0.1021(17) Uani 0.2996(8) 1 d D U P A
6
C1DA C 0.8979(3) 0.4751(3) 0.35752(17) 0.1022(17) Uani 0.2996(8) 1 d D U P A 6
C6JA C 0.8351(3) 0.4976(2) 0.35457(17) 0.0990(16) Uani 0.2996(8) 1 d D U P A 6
C1JA C 0.8395(2) 0.58910(16) 0.45017(14) 0.0914(15) Uani 0.2996(8) 1 d D U P A
6
C2AA C 0.8732(2) 0.54808(17) 0.45612(15) 0.1059(17) Uani 0.2996(8) 1 d D U P A
6
C3KA C 1.0319(2) 0.52010(17) 0.44432(14) 0.1038(17) Uani 0.2996(8) 1 d D U P A
6
C6 C 0.9448(2) 0.4716(3) 0.39441(15) 0.1074(9) Uani 0.2996(8) 1 d D U P A 6
C1AA C 0.8645(3) 0.50833(19) 0.4263(2) 0.1074(9) Uani 0.2996(8) 1 d D U P A 6
C5JA C 0.8210(3) 0.51388(18) 0.39356(14) 0.0947(16) Uani 0.2996(8) 1 d D U P A
6
C8GA C 0.7495(3) 0.8010(2) 0.7757(2) 0.1425(17) Uani 0.5 1 d D U P K -1
H8GA H 0.7762 0.8285 0.7823 0.171 Uiso 0.5 1 calc R U P K -1
C3AA C 0.7753(3) 0.7579(3) 0.7721(2) 0.1505(18) Uani 0.5 1 d D U P K -1
H3AA H 0.8203 0.7533 0.7794 0.181 Uiso 0.5 1 calc R U P K -1
C8FA C 0.6476(3) 0.7690(3) 0.7594(2) 0.1667(19) Uani 0.5 1 d D U P K -1
C8CA C 0.7374(3) 0.7200(2) 0.7577(2) 0.1626(19) Uani 0.5 1 d D U P K -1
H8CA H 0.7568 0.6901 0.7516 0.195 Uiso 0.5 1 calc R U P K -1
C2GA C 0.6825(3) 0.8058(2) 0.7699(2) 0.1478(18) Uani 0.5 1 d D U P K -1
H2GA H 0.6631 0.8364 0.7736 0.177 Uiso 0.5 1 calc R U P K -1
C7CA C 1.0645(4) 0.6637(4) 0.4284(3) 0.1161(17) Uani 0.2996(8) 1 d . U P A 6
C0HA C 0.8719(3) 0.7101(3) 0.37074(17) 0.0940(16) Uani 0.2996(8) 1 d D U P A 6
C2KA C 0.9785(3) 0.5132(2) 0.45244(16) 0.1074(9) Uani 0.2996(8) 1 d D U P A 6
C1KA C 0.9305(2) 0.4862(2) 0.42345(19) 0.1074(9) Uani 0.2996(8) 1 d D U P A 6
C8JA C 0.5696(4) 0.5431(3) 0.70177(18) 0.2152(7) Uani 0.5 1 d D U P L 1
H8JA H 0.5614 0.5370 0.6739 0.258 Uiso 0.5 1 calc R U P L 1
C5AA C 0.5850(4) 0.5231(3) 0.67695(19) 0.2201(17) Uani 0.5 1 d D U P M 2
H5AA H 0.5962 0.5132 0.6518 0.264 Uiso 0.5 1 calc R U P M 2
C6AA C 0.5328(3) 0.5290(3) 0.6802(2) 0.2121(17) Uani 0.5 1 d D U P M 2
H6AA H 0.5002 0.5300 0.6579 0.255 Uiso 0.5 1 calc R U P M 2
C5FA C 0.6379(3) 0.5303(4) 0.7112(3) 0.2266(17) Uani 0.5 1 d D U P M 2
H5FA H 0.6777 0.5131 0.7144 0.272 Uiso 0.5 1 calc R U P M 2
C9EA C 0.6213(3) 0.5640(3) 0.7362(2) 0.2178(14) Uani 0.5 1 d D U P M 2
H9EA H 0.6433 0.5932 0.7446 0.261 Uiso 0.5 1 calc R U P M 2
C2LA C 0.5509(6) 0.5564(4) 0.7929(4) 0.232(3) Uani 0.5 1 d . U P M 2
H2LA H 0.5858 0.5400 0.8100 0.348 Uiso 0.5 1 calc R U P M 2
H2LB H 0.5092 0.5461 0.8004 0.348 Uiso 0.5 1 calc R U P M 2
H2LC H 0.5554 0.5917 0.7963 0.348 Uiso 0.5 1 calc R U P M 2
C4IA C 0.5546(4) 0.5430(3) 0.74879(19) 0.2188(12) Uani 0.5 1 d D U P M 2
C0JA C 0.5171(3) 0.5353(3) 0.7235(2) 0.2181(15) Uani 0.5 1 d D U P M 2
H0JA H 0.4735 0.5324 0.7285 0.262 Uiso 0.5 1 calc R U P M 2
C9HA C 0.4986(6) 0.5073(5) 0.7974(4) 0.252(4) Uani 0.5 1 d . U P L 1
H9HA H 0.4520 0.5105 0.7893 0.378 Uiso 0.5 1 calc R U P L 1
H9HB H 0.5103 0.5230 0.8233 0.378 Uiso 0.5 1 calc R U P L 1
H9HC H 0.5100 0.4727 0.7995 0.378 Uiso 0.5 1 calc R U P L 1
C9JA C 0.5674(7) 0.7634(6) 0.7340(4) 0.265(5) Uani 0.5 1 d . U P K -1
H9JA H 0.5362 0.7690 0.7528 0.397 Uiso 0.5 1 calc R U P K -1
H9JB H 0.5613 0.7307 0.7226 0.397 Uiso 0.5 1 calc R U P K -1
H9JC H 0.5609 0.7875 0.7124 0.397 Uiso 0.5 1 calc R U P K -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
C1A C9A 1.339(4) . ?
C1A C2A 1.429(4) . ?
C1A C5A 1.489(4) . ?
C2A C12A 1.327(4) . ?
C2A C4CA 1.498(4) . ?
C4CA C5CA 1.316(5) . ?
C4CA C3CA 1.499(5) . ?
C3CA C2CA 1.327(5) . ?
C3CA C5A 1.476(5) . ?
C5A C6A 1.346(5) . ?
C6A C7A 1.422(5) . ?
C6A C20A 1.501(5) . ?
C7A C8A 1.316(5) . ?
C7A C22A 1.474(5) . ?
C8A C9A 1.465(5) . ?
C8A C25A 1.515(5) . ?
C9A C10A 1.482(4) . ?
C10A C11A 1.332(4) . ?
C10A C26A 1.457(4) . ?
C11A C12A 1.470(4) . ?
C11A C2BA 1.498(4) . ?
C12A C13A 1.496(4) . ?
C13A C14A 1.307(5) . ?
C13A C3BA 1.487(4) . ?
C14A C5CA 1.393(5) . ?
C14A C33A 1.523(5) . ?
C5CA C6CA 1.504(5) . ?
C6CA C8DA 1.318(5) . ?
C6CA C34A 1.419(5) . ?
C8DA C37A 1.455(5) . ?
C8DA C2CA 1.481(5) . ?
C2CA C19A 1.451(6) . ?
C19A C20A 1.360(6) . ?
C19A C38A 1.525(5) . ?
C20A C21A 1.467(5) . ?
C21A C4 1.287(5) . ?
C21A C22A 1.489(5) . ?
C22A C2DA 1.325(6) . ?
C2DA C7DA 1.444(6) . ?
C2DA C4DA 1.491(5) . ?
C7DA C25A 1.332(5) . ?
C7DA C6DA 1.453(5) . ?
C25A C26A 1.496(5) . ?
C26A C27A 1.341(4) . ?
C27A C5BA 1.399(5) . ?
C27A C45A 1.452(5) . ?
C5BA C2BA 1.284(5) . ?
C5BA C0CA 1.498(5) . ?
C2BA C3BA 1.502(4) . ?
C3BA C4BA 1.321(4) . ?
C9BA C0CA 1.335(5) . ?
C9BA C4BA 1.444(5) . ?
C9BA C8BA 1.520(4) . ?
C8BA C7BA 1.328(4) . ?
C8BA C50A 1.442(5) . ?
C50A C51A 1.318(6) . ?
C50A C32A 1.553(6) . ?
C32A C33A 1.346(6) . ?
C32A C4BA 1.454(5) . ?
C33A C34A 1.440(6) . ?
C34A C35A 1.304(6) . ?
C35A C36A 1.488(5) . ?
C35A C51A 1.497(5) . ?
C36A C37A 1.325(5) . ?
C36A C53A 1.489(5) . ?
C37A C38A 1.403(5) . ?
C38A C5 1.316(5) . ?
C5 C1 1.472(4) . ?
C5 C4 1.540(5) . ?
C4 C3 1.497(4) . ?
C3 C4DA 1.342(5) . ?
C3 C2 1.477(4) . ?
C2 C56A 1.336(4) . ?
C2 C1 1.491(5) . ?
C1 C53A 1.362(4) . ?
C4DA C5DA 1.413(5) . ?
C5DA C57A 1.304(5) . ?
C5DA C6DA 1.497(5) . ?
C6DA C45A 1.369(5) . ?
C45A C1CA 1.458(5) . ?
C1CA C6BA 1.335(4) . ?
C1CA C0CA 1.449(5) . ?
C51A C52A 1.451(5) . ?
C52A C60A 1.322(4) . ?
C52A C53A 1.473(4) . ?
C56A C60A 1.454(4) . ?
C56A C57A 1.502(5) . ?
C57A C6BA 1.516(5) . ?
C6BA C7BA 1.474(4) . ?
C7BA C60A 1.482(4) . ?
C9CA C4HA 1.297(7) . ?
C9CA C1HA 1.458(7) . ?
C9CA C9DA 1.485(7) . ?
C4HA C9GA 1.475(6) . ?
C4HA C6GA 1.480(7) . ?
C9GA C3EA 1.357(6) . ?
C9GA C9FA 1.451(6) . ?
C3EA C4KA 1.451(6) . ?
C3EA C8EA 1.458(6) . ?
C9FA C5IA 1.309(6) . ?
C9FA C1IA 1.484(6) . ?
C6GA C5HA 1.235(8) . ?
C6GA C1IA 1.476(7) . ?
C1IA C7FA 1.344(7) . ?
C4AA C7IA 1.397(7) . ?
C4AA C2AA 1.492(6) . ?
C4AA C2KA 1.492(7) . ?
C6IA C6FA 1.339(8) . ?
C6IA C1DA 1.464(8) . ?
C6IA C5IA 1.495(6) . ?
C7IA C8IA 1.417(7) . ?
C7IA C4FA 1.443(6) . ?
C8IA C9IA 1.339(8) . ?
C8IA C5EA 1.443(7) . ?
C2EA C7HA 1.420(7) . ?
C2EA C4FA 1.423(7) . ?
C2EA C5EA 1.427(7) . ?
C8HA C7EA 1.426(8) . ?
C8HA C1HA 1.473(8) . ?
C8HA C7CA 1.472(12) . ?
C1HA C2HA 1.262(8) . ?
C2HA C5HA 1.499(7) . ?
C2HA C6HA 1.524(7) . ?
C6HA C3HA 1.182(8) . ?
C6HA C1GA 1.522(7) . ?
C5KA C4KA 1.228(7) . ?
C5KA C5IA 1.469(6) . ?
C5KA C6 1.505(7) . ?
C5GA C1GA 1.207(7) . ?
C5GA C1EA 1.455(6) . ?
C5GA C7GA 1.505(7) . ?
C1EA C1FA 1.229(7) . ?
C1EA C3FA 1.457(7) . ?
C3GA C0FA 1.272(7) . ?
C3GA C1GA 1.491(7) . ?
C3GA C5HA 1.529(7) . ?
C6EA C0GA 1.371(7) . ?
C6EA C4GA 1.410(6) . ?
C6EA C2IA 1.462(6) . ?
C0EA C7GA 1.415(7) . ?
C0EA C4GA 1.431(7) . ?
C0EA C3FA 1.456(7) . ?
C7GA C0HA 1.147(7) . ?
C0FA C1FA 1.478(6) . ?
C0FA C7FA 1.497(6) . ?
C1FA C2FA 1.489(6) . ?
C2FA C4JA 1.186(8) . ?
C2FA C6FA 1.488(7) . ?
C6FA C7FA 1.483(7) . ?
C3DA C4EA 1.347(7) . ?
C3DA C5JA 1.459(7) . ?
C3DA C2JA 1.460(6) . ?
C4GA C4EA 1.453(6) . ?
C3FA C2JA 1.265(7) . ?
C2JA C4JA 1.463(7) . ?
C0AA C14 1.394(2) . ?
C0AA C7 1.395(2) . ?
C0AA C7AA 1.493(2) . ?
C7AA C0BA 1.3892(19) . ?
C7AA C16 1.427(2) . ?
C8AA C9 1.402(2) . ?
C8AA C21 1.419(2) . ?
C8AA C13 1.484(2) . ?
C9AA C28 1.403(2) . ?
C9AA C10 1.416(2) . ?
C9AA C16 1.4573(19) . ?
C0BA C9 1.409(2) . ?
C0BA C44 1.506(2) . ?
C1BA C29 1.394(2) . ?
C1BA C88 1.400(2) . ?
C1BA C11 1.483(2) . ?
C7 C26 1.381(2) . ?
C8 C45 1.397(2) . ?
C8 C34 1.399(2) . ?
C8 C38 1.482(2) . ?
C9 C42 1.494(2) . ?
C10 C64 1.408(2) . ?
C10 C15 1.445(2) . ?
C11 C78 1.387(2) . ?
C11 C12 1.391(2) . ?
C12 C31 1.389(2) . ?
C13 C40 1.394(2) . ?
C13 C27 1.404(2) . ?
C14 C37 1.381(2) . ?
C15 C18 1.412(2) . ?
C15 C80 1.420(2) . ?
C16 C21 1.414(2) . ?
C17 C28 1.379(2) . ?
C17 C65 1.413(2) . ?
C17 C20 1.480(3) . ?
C18 C33 1.404(2) . ?
C18 C21 1.463(2) . ?
C19 C32 1.404(2) . ?
C19 C62 1.404(2) . ?
C19 C24 1.467(2) . ?
C20 C91 1.396(2) . ?
C20 C76 1.401(3) . ?
C22 C67 1.394(2) . ?
C22 C60 1.400(2) . ?
C22 C23 1.487(2) . ?
C23 C39 1.384(2) . ?
C23 C69 1.411(2) . ?
C24 C99 1.400(2) . ?
C24 C31 1.402(2) . ?
C25 C37 1.396(2) . ?
C25 C26 1.398(2) . ?
C25 C35 1.483(2) . ?
C27 C46 1.376(2) . ?
C29 C30 1.377(2) . ?
C30 C36 1.393(2) . ?
C32 C39 1.387(2) . ?
C33 C43 1.389(2) . ?
C34 C59 1.385(2) . ?
C35 C59 1.387(2) . ?
C35 C50 1.399(2) . ?
C36 C75 1.409(2) . ?
C36 C47 1.481(2) . ?
C38 C106 1.389(2) . ?
C38 C49 1.396(2) . ?
C40 C58 1.380(2) . ?
C41 C48 1.389(2) . ?
C41 C92 1.404(2) . ?
C41 C43 1.484(2) . ?
C42 C95 1.382(2) . ?
C42 C57 1.392(2) . ?
C43 C90 1.404(2) . ?
C44 C83 1.382(2) . ?
C44 C89 1.385(2) . ?
C45 C50 1.381(2) . ?
C46 C61 1.392(2) . ?
C47 C93 1.390(2) . ?
C47 C105 1.400(3) . ?
C48 C81 1.382(2) . ?
C49 C67 1.384(2) . ?
C51 C63 1.397(2) . ?
C51 C81 1.399(2) . ?
C51 C52 1.491(2) . ?
C52 C74 1.388(2) . ?
C52 C53 1.408(2) . ?
C53 C56 1.369(2) . ?
C54 C84 1.380(2) . ?
C54 C79 1.388(2) . ?
C55 C101 1.396(2) . ?
C55 C84 1.399(2) . ?
C55 C61 1.484(2) . ?
C56 C70 1.406(2) . ?
C57 C82 1.369(2) . ?
C58 C61 1.404(2) . ?
C60 C106 1.377(2) . ?
C62 C69 1.367(2) . ?
C63 C92 1.374(2) . ?
C64 C65 1.361(3) . ?
C66 C74 1.378(2) . ?
C66 C70 1.393(2) . ?
C68 C83 1.383(2) . ?
C68 C72 1.390(3) . ?
C70 C86 1.479(3) . ?
C71 C104 1.399(2) . ?
C71 C97 1.411(3) . ?
C71 C73 1.474(3) . ?
C72 C98 1.396(3) . ?
C72 C130 1.529(3) . ?
C73 C85 1.398(2) . ?
C73 C107 1.403(2) . ?
C75 C88 1.374(3) . ?
C76 C107 1.373(3) . ?
C77 C120 1.393(3) . ?
C77 C103 1.406(2) . ?
C77 C79 1.485(2) . ?
C78 C99 1.369(3) . ?
C79 C110 1.397(2) . ?
C80 C90 1.366(3) . ?
C82 C94 1.398(2) . ?
C85 C91 1.377(3) . ?
C86 C117 1.384(3) . ?
C86 C96 1.394(2) . ?
C87 C94 1.383(3) . ?
C87 C95 1.384(2) . ?
C89 C98 1.390(2) . ?
C93 C103 1.372(3) . ?
C94 C132 1.529(2) . ?
C96 C113 1.374(3) . ?
C97 C118 1.373(3) . ?
C100 C116 1.396(3) . ?
C100 C122 1.401(3) . ?
C100 C108 1.484(3) . ?
C101 C110 1.386(3) . ?
C102 C118 1.406(3) . ?
C102 C111 1.411(3) . ?
C102 C112 1.475(3) . ?
C104 C111 1.368(3) . ?
C105 C120 1.375(3) . ?
C108 C126 1.393(3) . ?
C108 C127 1.398(3) . ?
C109 C124 1.395(3) . ?
C109 C113 1.397(3) . ?
C109 C119 1.471(3) . ?
C112 C121 1.390(3) . ?
C112 C129 1.407(3) . ?
C114 C125 1.371(3) . ?
C114 C119 1.407(3) . ?
C115 C134 1.399(3) . ?
C115 C125 1.401(3) . ?
C115 C123 1.483(3) . ?
C116 C121 1.367(3) . ?
C117 C124 1.387(3) . ?
C119 C133 1.390(3) . ?
C122 C129 1.365(3) . ?
C123 C131 1.396(3) . ?
C123 C128 1.401(3) . ?
C126 C128 1.371(3) . ?
C127 C131 1.374(3) . ?
C130 C5Z 1.510(3) . ?
C130 C6Z 1.531(4) . ?
C130 C4Z 1.534(4) . ?
C132 C3Z 1.497(3) . ?
C132 C1Z 1.512(4) . ?
C132 C2Z 1.512(4) . ?
C133 C134 1.370(3) . ?
C141 C145 1.370(3) . ?
C141 C147 1.455(3) 3_656 ?
C141 C143 1.458(3) . ?
C142 C144 1.373(3) . ?
C142 C146 1.445(3) . ?
C142 C149 1.456(3) . ?
C143 C146 1.380(3) . ?
C143 C154 1.449(3) 3_656 ?
C144 C145 1.449(3) . ?
C144 C148 1.456(3) 3_656 ?
C145 C152 1.429(3) . ?
C146 C163 1.439(3) . ?
C147 C156 1.379(3) . ?
C147 C141 1.455(3) 3_656 ?
C147 C150 1.457(3) . ?
C148 C158 1.389(3) 3_656 ?
C148 C164 1.447(3) . ?
C148 C144 1.456(3) 3_656 ?
C149 C165 1.363(3) . ?
C149 C155 1.478(3) . ?
C150 C159 1.405(3) . ?
C150 C154 1.444(3) . ?
C151 C152 1.383(3) . ?
C151 C156 1.414(3) 3_656 ?
C151 C161 1.470(3) 3_656 ?
C152 C164 1.455(3) 3_656 ?
C153 C161 1.392(3) . ?
C153 C169 1.449(3) . ?
C153 C166 1.459(3) . ?
C154 C168 1.412(3) . ?
C154 C143 1.449(3) 3_656 ?
C155 C167 1.393(3) . ?
C155 C163 1.450(3) . ?
C156 C151 1.414(3) 3_656 ?
C156 C160 1.467(3) . ?
C157 C160 1.371(3) . ?
C157 C159 1.444(3) . ?
C157 C165 1.468(3) . ?
C158 C148 1.389(3) 3_656 ?
C158 C165 1.416(3) . ?
C158 C170 1.457(3) . ?
C159 C170 1.415(3) . ?
C160 C167 1.455(3) . ?
C161 C167 1.419(3) . ?
C161 C151 1.470(3) 3_656 ?
C162 C170 1.394(3) . ?
C162 C168 1.447(3) . ?
C162 C166 1.470(3) 3_656 ?
C163 C169 1.411(3) . ?
C164 C166 1.361(3) . ?
C164 C152 1.455(3) 3_656 ?
C166 C162 1.470(3) 3_656 ?
C168 C169 1.423(3) 3_656 ?
C169 C168 1.423(3) 3_656 ?
C6E C1E 1.369(3) . ?
C6E C5E 1.378(3) . ?
C6E C7E 1.495(4) . ?
C1E C2E 1.388(4) . ?
C5E C4E 1.354(4) . ?
C2E C3E 1.402(4) . ?
C4E C3E 1.351(4) . ?
C4D C3D 1.352(4) . ?
C4D C5D 1.398(3) . ?
C5D C6D 1.381(3) . ?
C3D C2D 1.320(3) . ?
C6D C1D 1.366(4) . ?
C6D C7D 1.482(4) . ?
C1D C2D 1.339(4) . ?
C1J C2J 1.345(3) . ?
C1J C6J 1.383(4) . ?
C5J C6J 1.350(4) . ?
C5J C4J 1.432(4) . ?
C3J C4J 1.307(4) . ?
C3J C2J 1.416(4) . ?
C6J C7J 1.446(3) . ?
C5F C4F 1.365(7) . ?
C5F C6F 1.373(9) . ?
C6F C7F 1.292(8) . ?
C6F C1F 1.458(9) . ?
C1F C2F 1.244(8) . ?
C2F C3F 1.271(8) . ?
C3F C4F 1.282(7) . ?
C7K C6K 1.416(7) . ?
C5K C6K 1.253(6) . ?
C5K C4K 1.437(6) . ?
C6K C1K 1.395(6) . ?
C1K C2K 1.391(6) . ?
C2K C3K 1.329(6) . ?
C3K C4K 1.283(6) . ?
C4H C3H 1.3900 . ?
C4H C5H 1.3900 . ?
C3H C2H 1.3900 . ?
C2H C1H 1.3900 . ?
C1H C6H 1.3900 . ?
C6H C5H 1.3900 . ?
C6H C7H 1.494(5) . ?
C6G C1G 1.3900 . ?
C6G C5G 1.3900 . ?
C6G C7G 1.509(7) . ?
C1G C2G 1.3900 . ?
C2G C3G 1.3900 . ?
C3G C4G 1.3900 . ?
C4G C5G 1.3900 . ?
C2N C3N 1.383(10) . ?
C2N C1N 1.388(8) . ?
C3N C4N 1.491(13) . ?
C4N C5N 1.138(10) . ?
C5N C6N 1.485(8) . ?
C6N C1N 1.348(7) . ?
C1N C7N 1.421(7) . ?
C5M C4M 1.134(13) . ?
C5M C6M 1.449(13) . ?
C6M C1M 1.475(12) . ?
C1M C2M 1.370(8) . ?
C1M C7M 1.511(10) . ?
C2M C3M 1.316(8) . ?
C3M C4M 1.282(12) . ?
C2L C3AA 0.668(8) . ?
C2L C8GA 0.818(7) . ?
C2L C1L 1.3900 . ?
C2L C3L 1.3900 . ?
C2L C8CA 1.973(7) . ?
C1L C8GA 0.675(6) . ?
C1L C2GA 0.732(7) . ?
C1L C6L 1.3900 . ?
C1L C7L 1.397(6) . ?
C1L C3AA 1.689(7) . ?
C1L C8FA 1.697(7) . ?
C6L C2GA 1.084(7) . ?
C6L C0DA 1.329(8) . ?
C6L C5L 1.3900 . ?
C6L C8GA 1.974(6) . ?
C5L C8CA 1.306(8) . ?
C5L C4L 1.3900 . ?
C5L C8FA 1.452(9) . ?
C4L C0DA 1.383(8) . ?
C4L C3L 1.3900 . ?
C4L C3AA 1.771(8) . ?
C3L C3AA 0.766(8) . ?
C3L C8CA 1.152(8) . ?
C7L C2GA 1.344(8) . ?
C7L C8GA 1.624(8) . ?
C0KA C3JA 1.305(11) . ?
C0KA C8JA 1.500(11) . ?
C0IA C3IA 1.152(11) . ?
C0IA C7JA 1.579(11) . ?
C3JA C9HA 1.502(16) . ?
C3JA C3IA 1.539(11) . ?
C7JA C8JA 1.251(10) . ?
C0DA C8CA 1.274(9) . ?
C0DA C8FA 1.404(10) . ?
C4EA C1JA 1.455(6) . ?
C4JA C6JA 1.451(7) . ?
C4KA C3KA 1.490(6) . ?
C3HA C7EA 1.471(6) . ?
C3HA C0HA 1.532(7) . ?
C0GA C7HA 1.464(6) . ?
C0GA C0HA 1.485(7) . ?
C7EA C7HA 1.435(7) . ?
C2IA C4FA 1.423(7) . ?
C2IA C1JA 1.465(6) . ?
C5EA C7CA 1.232(12) . ?
C9DA C8EA 1.360(8) . ?
C9DA C7CA 1.560(12) . ?
C9IA C3KA 1.466(7) . ?
C9IA C8EA 1.476(7) . ?
C1DA C6JA 1.442(9) . ?
C1DA C6 1.487(7) . ?
C6JA C5JA 1.456(7) . ?
C1JA C2AA 1.332(7) . ?
C2AA C1AA 1.481(7) . ?
C3KA C2KA 1.197(7) . ?
C6 C1KA 1.134(8) . ?
C1AA C5JA 1.348(8) . ?
C1AA C1KA 1.522(7) . ?
C8GA C3AA 1.315(9) . ?
C8GA C2GA 1.394(9) . ?
C3AA C8CA 1.362(9) . ?
C8FA C2GA 1.272(9) . ?
C8FA C9JA 1.789(15) . ?
C2KA C1KA 1.504(7) . ?
C5AA C6AA 1.121(11) . ?
C5AA C5FA 1.507(10) . ?
C6AA C0JA 1.547(11) . ?
C5FA C9EA 1.329(12) . ?
C9EA C4IA 1.615(11) . ?
C2LA C4IA 1.547(14) . ?
C4IA C0JA 1.102(9) . ?

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
C9A C1A C2A 118.0(3) . . ?
C9A C1A C5A 118.3(3) . . ?
C2A C1A C5A 112.3(3) . . ?
C12A C2A C1A 121.8(3) . . ?
C12A C2A C4CA 118.7(3) . . ?
C1A C2A C4CA 106.8(3) . . ?
C5CA C4CA C2A 123.6(3) . . ?
C5CA C4CA C3CA 118.3(3) . . ?
C2A C4CA C3CA 106.8(3) . . ?
C2CA C3CA C5A 117.3(3) . . ?
C2CA C3CA C4CA 121.0(3) . . ?
C5A C3CA C4CA 109.5(3) . . ?
C6A C5A C3CA 124.8(3) . . ?
C6A C5A C1A 117.7(3) . . ?
C3CA C5A C1A 104.6(3) . . ?
C5A C6A C7A 121.4(3) . . ?
C5A C6A C20A 118.5(3) . . ?
C7A C6A C20A 108.3(3) . . ?
C8A C7A C6A 123.1(4) . . ?
C8A C7A C22A 117.1(4) . . ?
C6A C7A C22A 108.0(3) . . ?
C7A C8A C9A 116.6(3) . . ?
C7A C8A C25A 119.7(3) . . ?
C9A C8A C25A 110.8(3) . . ?
C1A C9A C8A 122.8(3) . . ?
C1A C9A C10A 121.7(3) . . ?
C8A C9A C10A 103.6(3) . . ?
C11A C10A C26A 114.1(2) . . ?
C11A C10A C9A 118.9(3) . . ?
C26A C10A C9A 113.6(2) . . ?
C10A C11A C12A 118.8(3) . . ?
C10A C11A C2BA 124.0(3) . . ?
C12A C11A C2BA 107.6(3) . . ?
C2A C12A C11A 120.7(3) . . ?
C2A C12A C13A 117.3(3) . . ?
C11A C12A C13A 109.6(2) . . ?
C14A C13A C3BA 122.1(3) . . ?
C14A C13A C12A 118.8(3) . . ?
C3BA C13A C12A 106.7(2) . . ?
C13A C14A C5CA 126.6(3) . . ?
C13A C14A C33A 118.5(3) . . ?
C5CA C14A C33A 103.6(3) . . ?
C4CA C5CA C14A 115.0(3) . . ?
C4CA C5CA C6CA 121.0(3) . . ?
C14A C5CA C6CA 111.4(3) . . ?
C8DA C6CA C34A 120.0(4) . . ?
C8DA C6CA C5CA 119.6(3) . . ?
C34A C6CA C5CA 107.3(3) . . ?
C6CA C8DA C37A 121.1(3) . . ?
C6CA C8DA C2CA 120.2(3) . . ?
C37A C8DA C2CA 108.0(3) . . ?
C3CA C2CA C19A 118.1(4) . . ?
C3CA C2CA C8DA 119.7(3) . . ?
C19A C2CA C8DA 109.9(3) . . ?
C20A C19A C2CA 127.7(3) . . ?
C20A C19A C38A 117.5(4) . . ?
C2CA C19A C38A 103.0(3) . . ?
C19A C20A C21A 124.4(3) . . ?
C19A C20A C6A 113.4(3) . . ?
C21A C20A C6A 108.7(3) . . ?
C4 C21A C20A 118.3(4) . . ?
C4 C21A C22A 124.4(4) . . ?
C20A C21A C22A 105.4(3) . . ?
C2DA C22A C7A 126.0(4) . . ?
C2DA C22A C21A 115.3(3) . . ?
C7A C22A C21A 109.5(4) . . ?
C22A C2DA C7DA 115.3(4) . . ?
C22A C2DA C4DA 123.4(4) . . ?
C7DA C2DA C4DA 108.7(3) . . ?
C25A C7DA C2DA 123.0(4) . . ?
C25A C7DA C6DA 117.4(4) . . ?
C2DA C7DA C6DA 108.6(3) . . ?
C7DA C25A C26A 122.1(3) . . ?
C7DA C25A C8A 118.9(4) . . ?
C26A C25A C8A 106.4(3) . . ?
C27A C26A C10A 121.1(3) . . ?
C27A C26A C25A 120.0(3) . . ?
C10A C26A C25A 105.5(3) . . ?
C26A C27A C5BA 122.4(3) . . ?
C26A C27A C45A 117.9(3) . . ?
C5BA C27A C45A 108.5(3) . . ?
C2BA C5BA C27A 120.3(3) . . ?
C2BA C5BA C0CA 119.6(3) . . ?
C27A C5BA C0CA 109.9(3) . . ?
C5BA C2BA C11A 117.9(3) . . ?
C5BA C2BA C3BA 121.4(3) . . ?
C11A C2BA C3BA 107.5(3) . . ?
C4BA C3BA C13A 120.1(3) . . ?
C4BA C3BA C2BA 118.8(3) . . ?
C13A C3BA C2BA 108.5(2) . . ?
C0CA C9BA C4BA 121.6(3) . . ?
C0CA C9BA C8BA 117.3(3) . . ?
C4BA C9BA C8BA 110.3(3) . . ?
C7BA C8BA C50A 123.2(3) . . ?
C7BA C8BA C9BA 118.3(3) . . ?
C50A C8BA C9BA 105.5(3) . . ?
C51A C50A C8BA 118.3(3) . . ?
C51A C50A C32A 119.6(4) . . ?
C8BA C50A C32A 109.1(3) . . ?
C33A C32A C4BA 123.1(4) . . ?
C33A C32A C50A 118.6(4) . . ?
C4BA C32A C50A 106.3(3) . . ?
C3BA C4BA C9BA 120.2(3) . . ?
C3BA C4BA C32A 118.8(3) . . ?
C9BA C4BA C32A 108.8(3) . . ?
C32A C33A C34A 120.2(4) . . ?
C32A C33A C14A 117.4(4) . . ?
C34A C33A C14A 110.5(4) . . ?
C35A C34A C6CA 121.4(4) . . ?
C35A C34A C33A 121.1(4) . . ?
C6CA C34A C33A 107.1(3) . . ?
C34A C35A C36A 119.2(4) . . ?
C34A C35A C51A 122.3(4) . . ?
C36A C35A C51A 107.1(3) . . ?
C37A C36A C35A 119.6(3) . . ?
C37A C36A C53A 122.3(3) . . ?
C35A C36A C53A 104.9(3) . . ?
C36A C37A C38A 121.9(4) . . ?
C36A C37A C8DA 118.6(3) . . ?
C38A C37A C8DA 107.2(3) . . ?
C5 C38A C37A 120.1(4) . . ?
C5 C38A C19A 116.8(4) . . ?
C37A C38A C19A 111.9(3) . . ?
C38A C5 C1 118.9(3) . . ?
C38A C5 C4 123.2(3) . . ?
C1 C5 C4 105.7(3) . . ?
C21A C4 C3 118.8(3) . . ?
C21A C4 C5 119.6(3) . . ?
C3 C4 C5 108.3(3) . . ?
C4DA C3 C2 121.5(3) . . ?
C4DA C3 C4 119.9(3) . . ?
C2 C3 C4 107.5(3) . . ?
C56A C2 C3 116.1(3) . . ?
C56A C2 C1 121.7(3) . . ?
C3 C2 C1 108.6(2) . . ?
C53A C1 C5 123.7(3) . . ?
C53A C1 C2 114.6(3) . . ?
C5 C1 C2 109.9(3) . . ?
C3 C4DA C5DA 122.4(3) . . ?
C3 C4DA C2DA 117.9(3) . . ?
C5DA C4DA C2DA 106.5(3) . . ?
C57A C5DA C4DA 117.4(4) . . ?
C57A C5DA C6DA 119.7(4) . . ?
C4DA C5DA C6DA 110.1(3) . . ?
C45A C6DA C7DA 120.9(3) . . ?
C45A C6DA C5DA 121.7(3) . . ?
C7DA C6DA C5DA 106.0(3) . . ?
C6DA C45A C27A 121.5(3) . . ?
C6DA C45A C1CA 118.2(3) . . ?
C27A C45A C1CA 107.5(3) . . ?
C6BA C1CA C0CA 120.3(3) . . ?
C6BA C1CA C45A 120.0(3) . . ?
C0CA C1CA C45A 109.2(3) . . ?
C9BA C0CA C1CA 122.9(3) . . ?
C9BA C0CA C5BA 118.5(3) . . ?
C1CA C0CA C5BA 104.8(3) . . ?
C50A C51A C52A 120.0(3) . . ?
C50A C51A C35A 118.1(4) . . ?
C52A C51A C35A 111.3(3) . . ?
C60A C52A C51A 122.3(3) . . ?
C60A C52A C53A 120.5(3) . . ?
C51A C52A C53A 104.3(3) . . ?
C1 C53A C52A 122.9(3) . . ?
C1 C53A C36A 112.9(3) . . ?
C52A C53A C36A 112.4(3) . . ?
C2 C56A C60A 121.6(3) . . ?
C2 C56A C57A 119.8(3) . . ?
C60A C56A C57A 106.6(3) . . ?
C5DA C57A C56A 122.8(3) . . ?
C5DA C57A C6BA 118.6(3) . . ?
C56A C57A C6BA 107.4(3) . . ?
C1CA C6BA C7BA 118.2(3) . . ?
C1CA C6BA C57A 121.8(3) . . ?
C7BA C6BA C57A 108.2(3) . . ?
C8BA C7BA C6BA 122.8(3) . . ?
C8BA C7BA C60A 118.1(3) . . ?
C6BA C7BA C60A 106.6(3) . . ?
C52A C60A C56A 118.5(3) . . ?
C52A C60A C7BA 118.0(3) . . ?
C56A C60A C7BA 111.3(3) . . ?
C4HA C9CA C1HA 119.1(4) . . ?
C4HA C9CA C9DA 120.5(4) . . ?
C1HA C9CA C9DA 108.2(4) . . ?
C9CA C4HA C9GA 121.1(4) . . ?
C9CA C4HA C6GA 119.6(4) . . ?
C9GA C4HA C6GA 106.4(4) . . ?
C3EA C9GA C9FA 118.2(4) . . ?
C3EA C9GA C4HA 119.5(4) . . ?
C9FA C9GA C4HA 109.7(3) . . ?
C9GA C3EA C4KA 119.2(4) . . ?
C9GA C3EA C8EA 119.6(4) . . ?
C4KA C3EA C8EA 109.1(4) . . ?
C5IA C9FA C9GA 120.1(4) . . ?
C5IA C9FA C1IA 119.9(4) . . ?
C9GA C9FA C1IA 107.8(4) . . ?
C5HA C6GA C1IA 123.1(5) . . ?
C5HA C6GA C4HA 120.2(4) . . ?
C1IA C6GA C4HA 108.7(4) . . ?
C7FA C1IA C6GA 121.0(5) . . ?
C7FA C1IA C9FA 120.2(4) . . ?
C6GA C1IA C9FA 107.3(4) . . ?
C7IA C4AA C2AA 118.6(4) . . ?
C7IA C4AA C2KA 117.1(4) . . ?
C2AA C4AA C2KA 108.2(4) . . ?
C6FA C6IA C1DA 117.7(5) . . ?
C6FA C6IA C5IA 119.5(4) . . ?
C1DA C6IA C5IA 107.9(4) . . ?
C4AA C7IA C8IA 117.5(4) . . ?
C4AA C7IA C4FA 120.9(4) . . ?
C8IA C7IA C4FA 109.2(4) . . ?
C9IA C8IA C7IA 122.1(5) . . ?
C9IA C8IA C5EA 121.9(5) . . ?
C7IA C8IA C5EA 107.0(4) . . ?
C7HA C2EA C4FA 120.4(4) . . ?
C7HA C2EA C5EA 120.7(4) . . ?
C4FA C2EA C5EA 108.6(4) . . ?
C7EA C8HA C1HA 115.8(5) . . ?
C7EA C8HA C7CA 112.7(6) . . ?
C1HA C8HA C7CA 111.3(6) . . ?
C2HA C1HA C9CA 121.5(5) . . ?
C2HA C1HA C8HA 120.4(6) . . ?
C9CA C1HA C8HA 107.9(5) . . ?
C1HA C2HA C5HA 118.7(4) . . ?
C1HA C2HA C6HA 121.0(6) . . ?
C5HA C2HA C6HA 108.6(4) . . ?
C3HA C6HA C1GA 119.0(5) . . ?
C3HA C6HA C2HA 121.9(6) . . ?
C1GA C6HA C2HA 106.9(4) . . ?
C4KA C5KA C5IA 121.0(4) . . ?
C4KA C5KA C6 118.1(4) . . ?
C5IA C5KA C6 108.2(4) . . ?
C1GA C5GA C1EA 121.8(4) . . ?
C1GA C5GA C7GA 120.8(4) . . ?
C1EA C5GA C7GA 106.0(4) . . ?
C1FA C1EA C5GA 120.3(4) . . ?
C1FA C1EA C3FA 120.0(4) . . ?
C5GA C1EA C3FA 108.8(4) . . ?
C0FA C3GA C1GA 118.7(4) . . ?
C0FA C3GA C5HA 122.3(5) . . ?
C1GA C3GA C5HA 108.2(4) . . ?
C5GA C1GA C3GA 119.8(4) . . ?
C5GA C1GA C6HA 118.8(5) . . ?
C3GA C1GA C6HA 108.7(4) . . ?
C9FA C5IA C5KA 119.7(4) . . ?
C9FA C5IA C6IA 120.6(4) . . ?
C5KA C5IA C6IA 108.1(4) . . ?
C0GA C6EA C4GA 120.2(4) . . ?
C0GA C6EA C2IA 120.6(4) . . ?
C4GA C6EA C2IA 107.9(4) . . ?
C7GA C0EA C4GA 120.0(4) . . ?
C7GA C0EA C3FA 109.3(4) . . ?
C4GA C0EA C3FA 116.8(5) . . ?
C0HA C7GA C0EA 120.6(5) . . ?
C0HA C7GA C5GA 120.4(5) . . ?
C0EA C7GA C5GA 108.2(4) . . ?
C3GA C0FA C1FA 119.3(4) . . ?
C3GA C0FA C7FA 120.3(5) . . ?
C1FA C0FA C7FA 108.5(4) . . ?
C1EA C1FA C0FA 120.0(4) . . ?
C1EA C1FA C2FA 119.7(5) . . ?
C0FA C1FA C2FA 107.3(4) . . ?
C4JA C2FA C6FA 117.9(6) . . ?
C4JA C2FA C1FA 120.1(5) . . ?
C6FA C2FA C1FA 108.7(4) . . ?
C6IA C6FA C7FA 119.6(4) . . ?
C6IA C6FA C2FA 125.5(5) . . ?
C7FA C6FA C2FA 107.5(4) . . ?
C1IA C7FA C6FA 119.4(4) . . ?
C1IA C7FA C0FA 116.3(4) . . ?
C6FA C7FA C0FA 107.7(4) . . ?
C4EA C3DA C5JA 119.8(4) . . ?
C4EA C3DA C2JA 118.7(5) . . ?
C5JA C3DA C2JA 108.4(4) . . ?
C6EA C4GA C0EA 117.0(4) . . ?
C6EA C4GA C4EA 110.8(4) . . ?
C0EA C4GA C4EA 119.0(4) . . ?
C2JA C3FA C0EA 122.3(5) . . ?
C2JA C3FA C1EA 119.7(4) . . ?
C0EA C3FA C1EA 107.5(4) . . ?
C3FA C2JA C3DA 122.7(5) . . ?
C3FA C2JA C4JA 119.0(4) . . ?
C3DA C2JA C4JA 107.6(4) . . ?
C14 C0AA C7 117.92(13) . . ?
C14 C0AA C7AA 115.50(13) . . ?
C7 C0AA C7AA 124.66(13) . . ?
C0BA C7AA C16 119.54(13) . . ?
C0BA C7AA C0AA 115.37(13) . . ?
C16 C7AA C0AA 122.90(12) . . ?
C9 C8AA C21 118.93(13) . . ?
C9 C8AA C13 116.09(12) . . ?
C21 C8AA C13 122.94(13) . . ?
C28 C9AA C10 118.27(13) . . ?
C28 C9AA C16 120.75(13) . . ?
C10 C9AA C16 120.39(13) . . ?
C7AA C0BA C9 120.37(13) . . ?
C7AA C0BA C44 121.21(13) . . ?
C9 C0BA C44 117.26(12) . . ?
C29 C1BA C88 116.84(15) . . ?
C29 C1BA C11 119.96(13) . . ?
C88 C1BA C11 121.51(14) . . ?
C26 C7 C0AA 121.07(14) . . ?
C45 C8 C34 116.94(14) . . ?
C45 C8 C38 120.56(14) . . ?
C34 C8 C38 122.02(14) . . ?
C8AA C9 C0BA 120.24(13) . . ?
C8AA C9 C42 121.51(13) . . ?
C0BA C9 C42 117.17(13) . . ?
C64 C10 C9AA 117.39(14) . . ?
C64 C10 C15 122.46(15) . . ?
C9AA C10 C15 119.04(13) . . ?
C78 C11 C12 116.88(15) . . ?
C78 C11 C1BA 117.21(15) . . ?
C12 C11 C1BA 124.63(14) . . ?
C31 C12 C11 121.25(15) . . ?
C40 C13 C27 116.97(14) . . ?
C40 C13 C8AA 125.51(13) . . ?
C27 C13 C8AA 115.55(12) . . ?
C37 C14 C0AA 120.35(14) . . ?
C18 C15 C80 116.96(14) . . ?
C18 C15 C10 119.44(14) . . ?
C80 C15 C10 122.16(14) . . ?
C21 C16 C7AA 119.09(12) . . ?
C21 C16 C9AA 118.95(13) . . ?
C7AA C16 C9AA 121.96(13) . . ?
C28 C17 C65 116.74(16) . . ?
C28 C17 C20 118.99(15) . . ?
C65 C17 C20 123.05(14) . . ?
C33 C18 C15 118.95(14) . . ?
C33 C18 C21 120.20(13) . . ?
C15 C18 C21 120.07(13) . . ?
C32 C19 C62 115.99(14) . . ?
C32 C19 C24 120.08(14) . . ?
C62 C19 C24 121.89(13) . . ?
C91 C20 C76 116.78(17) . . ?
C91 C20 C17 119.68(15) . . ?
C76 C20 C17 122.35(15) . . ?
C16 C21 C8AA 119.99(13) . . ?
C16 C21 C18 118.86(12) . . ?
C8AA C21 C18 121.15(13) . . ?
C67 C22 C60 117.05(15) . . ?
C67 C22 C23 123.19(14) . . ?
C60 C22 C23 118.71(14) . . ?
C39 C23 C69 116.91(15) . . ?
C39 C23 C22 119.84(14) . . ?
C69 C23 C22 121.75(15) . . ?
C99 C24 C31 116.05(15) . . ?
C99 C24 C19 117.04(15) . . ?
C31 C24 C19 125.50(14) . . ?
C37 C25 C26 117.38(14) . . ?
C37 C25 C35 118.24(13) . . ?
C26 C25 C35 123.31(14) . . ?
C7 C26 C25 120.71(14) . . ?
C46 C27 C13 121.07(13) . . ?
C17 C28 C9AA 123.17(15) . . ?
C30 C29 C1BA 120.85(14) . . ?
C29 C30 C36 121.67(15) . . ?
C12 C31 C24 121.41(14) . . ?
C39 C32 C19 120.86(15) . . ?
C43 C33 C18 122.73(14) . . ?
C59 C34 C8 121.39(15) . . ?
C59 C35 C50 117.07(14) . . ?
C59 C35 C25 120.53(13) . . ?
C50 C35 C25 121.19(14) . . ?
C30 C36 C75 116.45(16) . . ?
C30 C36 C47 119.77(15) . . ?
C75 C36 C47 122.24(15) . . ?
C14 C37 C25 121.52(13) . . ?
C106 C38 C49 116.61(15) . . ?
C106 C38 C8 119.94(14) . . ?
C49 C38 C8 122.79(14) . . ?
C23 C39 C32 121.46(14) . . ?
C58 C40 C13 121.30(14) . . ?
C48 C41 C92 116.74(15) . . ?
C48 C41 C43 122.71(15) . . ?
C92 C41 C43 119.33(15) . . ?
C95 C42 C57 117.91(14) . . ?
C95 C42 C9 122.04(14) . . ?
C57 C42 C9 119.92(13) . . ?
C33 C43 C90 117.12(15) . . ?
C33 C43 C41 118.64(14) . . ?
C90 C43 C41 122.87(15) . . ?
C83 C44 C89 118.19(15) . . ?
C83 C44 C0BA 120.03(14) . . ?
C89 C44 C0BA 121.73(14) . . ?
C50 C45 C8 120.87(14) . . ?
C27 C46 C61 121.57(14) . . ?
C93 C47 C105 116.78(16) . . ?
C93 C47 C36 123.81(15) . . ?
C105 C47 C36 118.20(16) . . ?
C81 C48 C41 121.49(16) . . ?
C67 C49 C38 121.81(15) . . ?
C45 C50 C35 121.51(14) . . ?
C63 C51 C81 116.79(15) . . ?
C63 C51 C52 119.88(15) . . ?
C81 C51 C52 122.42(15) . . ?
C74 C52 C53 116.65(15) . . ?
C74 C52 C51 120.63(14) . . ?
C53 C52 C51 121.76(14) . . ?
C56 C53 C52 121.00(15) . . ?
C84 C54 C79 121.18(15) . . ?
C101 C55 C84 116.98(16) . . ?
C101 C55 C61 120.00(15) . . ?
C84 C55 C61 121.96(14) . . ?
C53 C56 C70 121.78(15) . . ?
C82 C57 C42 121.02(15) . . ?
C40 C58 C61 121.10(14) . . ?
C34 C59 C35 121.07(15) . . ?
C106 C60 C22 121.15(15) . . ?
C46 C61 C58 116.91(14) . . ?
C46 C61 C55 118.89(14) . . ?
C58 C61 C55 123.26(14) . . ?
C69 C62 C19 122.10(15) . . ?
C92 C63 C51 121.35(16) . . ?
C65 C64 C10 121.84(16) . . ?
C64 C65 C17 120.94(15) . . ?
C74 C66 C70 121.34(15) . . ?
C49 C67 C22 120.92(15) . . ?
C83 C68 C72 121.64(17) . . ?
C62 C69 C23 120.48(16) . . ?
C66 C70 C56 116.34(16) . . ?
C66 C70 C86 120.21(15) . . ?
C56 C70 C86 122.18(15) . . ?
C104 C71 C97 115.63(17) . . ?
C104 C71 C73 120.31(16) . . ?
C97 C71 C73 122.76(16) . . ?
C68 C72 C98 116.79(16) . . ?
C68 C72 C130 122.97(18) . . ?
C98 C72 C130 120.23(18) . . ?
C85 C73 C107 116.34(17) . . ?
C85 C73 C71 120.08(15) . . ?
C107 C73 C71 122.36(16) . . ?
C66 C74 C52 121.84(15) . . ?
C88 C75 C36 120.81(15) . . ?
C107 C76 C20 121.31(16) . . ?
C120 C77 C103 116.26(16) . . ?
C120 C77 C79 119.90(16) . . ?
C103 C77 C79 123.06(16) . . ?
C99 C78 C11 122.01(16) . . ?
C54 C79 C110 116.93(16) . . ?
C54 C79 C77 120.77(15) . . ?
C110 C79 C77 121.48(16) . . ?
C90 C80 C15 122.05(15) . . ?
C48 C81 C51 121.19(16) . . ?
C57 C82 C94 121.50(16) . . ?
C44 C83 C68 121.14(16) . . ?
C54 C84 C55 121.52(16) . . ?
C91 C85 C73 121.62(16) . . ?
C117 C86 C96 116.61(18) . . ?
C117 C86 C70 122.83(16) . . ?
C96 C86 C70 119.26(15) . . ?
C94 C87 C95 121.56(15) . . ?
C75 C88 C1BA 121.27(15) . . ?
C44 C89 C98 120.58(16) . . ?
C80 C90 C43 120.84(16) . . ?
C85 C91 C20 121.27(16) . . ?
C63 C92 C41 121.39(15) . . ?
C103 C93 C47 121.49(16) . . ?
C87 C94 C82 117.13(15) . . ?
C87 C94 C132 123.07(16) . . ?
C82 C94 C132 119.76(17) . . ?
C42 C95 C87 120.88(15) . . ?
C113 C96 C86 121.56(17) . . ?
C118 C97 C71 121.66(17) . . ?
C89 C98 C72 121.65(17) . . ?
C78 C99 C24 121.75(17) . . ?
C116 C100 C122 115.5(2) . . ?
C116 C100 C108 120.25(19) . . ?
C122 C100 C108 123.00(18) . . ?
C110 C101 C55 120.60(16) . . ?
C118 C102 C111 115.65(17) . . ?
C118 C102 C112 122.83(17) . . ?
C111 C102 C112 120.48(16) . . ?
C93 C103 C77 121.78(17) . . ?
C111 C104 C71 122.33(17) . . ?
C120 C105 C47 121.44(18) . . ?
C60 C106 C38 121.90(15) . . ?
C76 C107 C73 121.57(17) . . ?
C126 C108 C127 115.5(2) . . ?
C126 C108 C100 121.8(2) . . ?
C127 C108 C100 121.67(17) . . ?
C124 C109 C113 116.34(18) . . ?
C124 C109 C119 123.41(18) . . ?
C113 C109 C119 118.95(17) . . ?
C101 C110 C79 121.69(16) . . ?
C104 C111 C102 121.62(16) . . ?
C121 C112 C129 116.04(18) . . ?
C121 C112 C102 119.72(16) . . ?
C129 C112 C102 123.17(18) . . ?
C96 C113 C109 121.56(18) . . ?
C125 C114 C119 121.54(19) . . ?
C134 C115 C125 114.64(19) . . ?
C134 C115 C123 122.77(19) . . ?
C125 C115 C123 121.58(19) . . ?
C121 C116 C100 122.50(19) . . ?
C86 C117 C124 121.57(18) . . ?
C97 C118 C102 121.87(17) . . ?
C133 C119 C114 114.90(19) . . ?
C133 C119 C109 123.42(19) . . ?
C114 C119 C109 120.64(18) . . ?
C105 C120 C77 121.77(18) . . ?
C116 C121 C112 121.47(17) . . ?
C129 C122 C100 121.80(19) . . ?
C131 C123 C128 114.9(2) . . ?
C131 C123 C115 122.19(19) . . ?
C128 C123 C115 121.82(17) . . ?
C117 C124 C109 121.23(18) . . ?
C114 C125 C115 122.3(2) . . ?
C128 C126 C108 122.2(2) . . ?
C131 C127 C108 121.40(19) . . ?
C126 C128 C123 121.88(18) . . ?
C122 C129 C112 121.7(2) . . ?
C5Z C130 C72 108.76(19) . . ?
C5Z C130 C6Z 110.1(2) . . ?
C72 C130 C6Z 110.1(2) . . ?
C5Z C130 C4Z 110.4(2) . . ?
C72 C130 C4Z 111.88(19) . . ?
C6Z C130 C4Z 105.6(2) . . ?
C127 C131 C123 122.6(2) . . ?
C3Z C132 C1Z 109.1(2) . . ?
C3Z C132 C2Z 109.7(2) . . ?
C1Z C132 C2Z 107.4(3) . . ?
C3Z C132 C94 112.62(19) . . ?
C1Z C132 C94 109.45(19) . . ?
C2Z C132 C94 108.45(18) . . ?
C134 C133 C119 122.3(2) . . ?
C133 C134 C115 122.0(2) . . ?
C145 C141 C147 120.21(18) . 3_656 ?
C145 C141 C143 120.58(18) . . ?
C147 C141 C143 106.99(18) 3_656 . ?
C144 C142 C146 120.36(17) . . ?
C144 C142 C149 120.08(19) . . ?
C146 C142 C149 107.81(18) . . ?
C146 C143 C154 119.6(2) . 3_656 ?
C146 C143 C141 119.44(19) . . ?
C154 C143 C141 108.59(17) 3_656 . ?
C142 C144 C145 120.25(19) . . ?
C142 C144 C148 119.60(18) . 3_656 ?
C145 C144 C148 107.75(16) . 3_656 ?
C141 C145 C152 119.94(18) . . ?
C141 C145 C144 119.51(17) . . ?
C152 C145 C144 109.23(19) . . ?
C143 C146 C163 119.3(2) . . ?
C143 C146 C142 119.84(18) . . ?
C163 C146 C142 109.24(18) . . ?
C156 C147 C141 119.19(19) . 3_656 ?
C156 C147 C150 120.73(19) . . ?
C141 C147 C150 108.48(18) 3_656 . ?
C158 C148 C164 121.8(2) 3_656 . ?
C158 C148 C144 119.07(17) 3_656 3_656 ?
C164 C148 C144 106.90(19) . 3_656 ?
C165 C149 C142 119.84(18) . . ?
C165 C149 C155 121.0(2) . . ?
C142 C149 C155 107.25(19) . . ?
C159 C150 C154 120.8(2) . . ?
C159 C150 C147 119.24(19) . . ?
C154 C150 C147 107.83(19) . . ?
C152 C151 C156 120.89(19) . 3_656 ?
C152 C151 C161 118.9(2) . 3_656 ?
C156 C151 C161 108.35(19) 3_656 3_656 ?
C151 C152 C145 119.7(2) . . ?
C151 C152 C164 121.5(2) . 3_656 ?
C145 C152 C164 107.00(18) . 3_656 ?
C161 C153 C169 120.0(2) . . ?
C161 C153 C166 120.1(2) . . ?
C169 C153 C166 108.13(19) . . ?
C168 C154 C150 118.5(2) . . ?
C168 C154 C143 121.18(19) . 3_656 ?
C150 C154 C143 108.12(19) . 3_656 ?
C167 C155 C163 121.1(2) . . ?
C167 C155 C149 118.7(2) . . ?
C163 C155 C149 107.73(18) . . ?
C147 C156 C151 120.08(19) . 3_656 ?
C147 C156 C160 119.7(2) . . ?
C151 C156 C160 108.24(19) 3_656 . ?
C160 C157 C159 121.7(2) . . ?
C160 C157 C165 118.8(2) . . ?
C159 C157 C165 107.06(19) . . ?
C148 C158 C165 120.8(2) 3_656 . ?
C148 C158 C170 118.84(18) 3_656 . ?
C165 C158 C170 108.49(19) . . ?
C150 C159 C170 120.2(2) . . ?
C150 C159 C157 119.3(2) . . ?
C170 C159 C157 108.8(2) . . ?
C157 C160 C167 122.0(2) . . ?
C157 C160 C156 119.33(19) . . ?
C167 C160 C156 106.90(19) . . ?
C153 C161 C167 120.7(2) . . ?
C153 C161 C151 119.36(19) . 3_656 ?
C167 C161 C151 107.7(2) . 3_656 ?
C170 C162 C168 120.4(2) . . ?
C170 C162 C166 120.0(2) . 3_656 ?
C168 C162 C166 107.59(19) . 3_656 ?
C169 C163 C146 121.61(19) . . ?
C169 C163 C155 118.4(2) . . ?
C146 C163 C155 107.97(19) . . ?
C166 C164 C148 119.5(2) . . ?
C166 C164 C152 119.3(2) . 3_656 ?
C148 C164 C152 109.1(2) . 3_656 ?
C149 C165 C158 120.63(19) . . ?
C149 C165 C157 120.2(2) . . ?
C158 C165 C157 107.70(18) . . ?
C164 C166 C153 120.8(2) . . ?
C164 C166 C162 120.3(2) . 3_656 ?
C153 C166 C162 106.84(19) . 3_656 ?
C155 C167 C161 119.8(2) . . ?
C155 C167 C160 119.3(2) . . ?
C161 C167 C160 108.8(2) . . ?
C154 C168 C169 119.0(2) . 3_656 ?
C154 C168 C162 119.9(2) . . ?
C169 C168 C162 109.0(2) 3_656 . ?
C163 C169 C168 119.3(2) . 3_656 ?
C163 C169 C153 119.9(2) . . ?
C168 C169 C153 108.5(2) 3_656 . ?
C162 C170 C159 120.2(2) . . ?
C162 C170 C158 119.62(19) . . ?
C159 C170 C158 107.97(19) . . ?
C1E C6E C5E 117.7(2) . . ?
C1E C6E C7E 121.3(2) . . ?
C5E C6E C7E 121.0(2) . . ?
C6E C1E C2E 121.1(2) . . ?
C4E C5E C6E 121.9(3) . . ?
C1E C2E C3E 119.3(3) . . ?
C3E C4E C5E 121.2(3) . . ?
C4E C3E C2E 118.8(3) . . ?
C3D C4D C5D 119.3(2) . . ?
C6D C5D C4D 120.0(2) . . ?
C2D C3D C4D 120.4(2) . . ?
C1D C6D C5D 116.9(2) . . ?
C1D C6D C7D 121.9(3) . . ?
C5D C6D C7D 121.2(3) . . ?
C2D C1D C6D 122.2(2) . . ?
C3D C2D C1D 121.2(3) . . ?
C2J C1J C6J 123.7(2) . . ?
C6J C5J C4J 120.6(2) . . ?
C4J C3J C2J 120.2(2) . . ?
C5J C6J C1J 117.0(2) . . ?
C5J C6J C7J 120.5(3) . . ?
C1J C6J C7J 122.3(3) . . ?
C3J C4J C5J 120.3(2) . . ?
C1J C2J C3J 118.1(2) . . ?
C4F C5F C6F 118.7(5) . . ?
C7F C6F C5F 118.7(7) . . ?
C7F C6F C1F 128.9(8) . . ?
C5F C6F C1F 112.4(5) . . ?
C2F C1F C6F 121.7(7) . . ?
C1F C2F C3F 124.8(6) . . ?
C2F C3F C4F 118.1(5) . . ?
C3F C4F C5F 124.0(6) . . ?
C6K C5K C4K 127.0(5) . . ?
C5K C6K C1K 113.8(5) . . ?
C5K C6K C7K 131.2(5) . . ?
C1K C6K C7K 114.9(5) . . ?
C2K C1K C6K 120.9(5) . . ?
C3K C2K C1K 120.2(4) . . ?
C4K C3K C2K 120.7(5) . . ?
C3K C4K C5K 116.9(5) . . ?
C3H C4H C5H 120.0 . . ?
C4H C3H C2H 120.0 . . ?
C1H C2H C3H 120.0 . . ?
C2H C1H C6H 120.0 . . ?
C5H C6H C1H 120.0 . . ?
C5H C6H C7H 120.4(2) . . ?
C1H C6H C7H 119.5(2) . . ?
C6H C5H C4H 120.0 . . ?
C1G C6G C5G 120.0 . . ?
C1G C6G C7G 117.1(3) . . ?
C5G C6G C7G 122.9(3) . . ?
C2G C1G C6G 120.0 . . ?
C3G C2G C1G 120.0 . . ?
C2G C3G C4G 120.0 . . ?
C3G C4G C5G 120.0 . . ?
C4G C5G C6G 120.0 . . ?
C3N C2N C1N 116.9(6) . . ?
C2N C3N C4N 123.0(7) . . ?
C5N C4N C3N 117.9(8) . . ?
C4N C5N C6N 121.5(8) . . ?
C1N C6N C5N 123.5(5) . . ?
C6N C1N C2N 116.5(5) . . ?
C6N C1N C7N 122.1(5) . . ?
C2N C1N C7N 121.2(5) . . ?
C4M C5M C6M 122.0(9) . . ?
C5M C6M C1M 116.7(7) . . ?
C2M C1M C6M 111.2(6) . . ?
C2M C1M C7M 126.5(7) . . ?
C6M C1M C7M 122.3(7) . . ?
C3M C2M C1M 123.7(6) . . ?
C4M C3M C2M 121.0(7) . . ?
C5M C4M C3M 125.1(9) . . ?
C3AA C2L C8GA 124.1(7) . . ?
C3AA C2L C1L 104.8(5) . . ?
C8GA C2L C1L 19.3(5) . . ?
C3AA C2L C3L 15.3(5) . . ?
C8GA C2L C3L 139.3(5) . . ?
C1L C2L C3L 120.0 . . ?
C3AA C2L C8CA 19.7(5) . . ?
C8GA C2L C8CA 104.5(5) . . ?
C1L C2L C8CA 85.2(2) . . ?
C3L C2L C8CA 34.9(2) . . ?
C8GA C1L C2GA 164.2(9) . . ?
C8GA C1L C2L 23.7(6) . . ?
C2GA C1L C2L 167.0(6) . . ?
C8GA C1L C6L 143.6(6) . . ?
C2GA C1L C6L 50.6(6) . . ?
C2L C1L C6L 120.0 . . ?
C8GA C1L C7L 97.1(7) . . ?
C2GA C1L C7L 70.6(6) . . ?
C2L C1L C7L 120.6(3) . . ?
C6L C1L C7L 119.0(3) . . ?
C8GA C1L C3AA 46.1(6) . . ?
C2GA C1L C3AA 146.8(7) . . ?
C2L C1L C3AA 22.5(2) . . ?
C6L C1L C3AA 97.5(2) . . ?
C7L C1L C3AA 142.6(4) . . ?
C8GA C1L C8FA 149.6(7) . . ?
C2GA C1L C8FA 43.7(5) . . ?
C2L C1L C8FA 126.1(3) . . ?
C6L C1L C8FA 7.8(3) . . ?
C7L C1L C8FA 113.3(4) . . ?
C3AA C1L C8FA 103.8(4) . . ?
C2GA C6L C0DA 148.5(5) . . ?
C2GA C6L C5L 150.5(4) . . ?
C0DA C6L C5L 2.0(3) . . ?
C2GA C6L C1L 31.5(4) . . ?
C0DA C6L C1L 118.0(3) . . ?
C5L C6L C1L 120.0 . . ?
C2GA C6L C8GA 43.0(4) . . ?
C0DA C6L C8GA 106.3(4) . . ?
C5L C6L C8GA 108.3(2) . . ?
C1L C6L C8GA 11.7(2) . . ?
C8CA C5L C6L 100.0(3) . . ?
C8CA C5L C4L 20.4(3) . . ?
C6L C5L C4L 120.0 . . ?
C8CA C5L C8FA 114.1(4) . . ?
C6L C5L C8FA 14.8(3) . . ?
C4L C5L C8FA 133.5(3) . . ?
C0DA C4L C3L 116.8(3) . . ?
C0DA C4L C5L 3.2(3) . . ?
C3L C4L C5L 120.0 . . ?
C0DA C4L C3AA 92.4(4) . . ?
C3L C4L C3AA 24.5(2) . . ?
C5L C4L C3AA 95.5(2) . . ?
C3AA C3L C8CA 88.1(6) . . ?
C3AA C3L C4L 106.8(5) . . ?
C8CA C3L C4L 19.2(4) . . ?
C3AA C3L C2L 13.3(5) . . ?
C8CA C3L C2L 101.4(4) . . ?
C4L C3L C2L 120.0 . . ?
C2GA C7L C1L 30.9(3) . . ?
C2GA C7L C8GA 55.0(4) . . ?
C1L C7L C8GA 24.3(3) . . ?
C3JA C0KA C8JA 119.3(6) . . ?
C3IA C0IA C7JA 120.7(6) . . ?
C0KA C3JA C9HA 124.2(8) . . ?
C0KA C3JA C3IA 117.2(6) . . ?
C9HA C3JA C3IA 117.7(7) . . ?
C8JA C7JA C0IA 117.7(6) . . ?
C0IA C3IA C3JA 122.9(6) . . ?
C8CA C0DA C6L 105.1(5) . . ?
C8CA C0DA C4L 20.5(3) . . ?
C6L C0DA C4L 125.1(5) . . ?
C8CA C0DA C8FA 119.6(5) . . ?
C6L C0DA C8FA 15.3(3) . . ?
C4L C0DA C8FA 139.1(5) . . ?
C6GA C5HA C2HA 120.7(5) . . ?
C6GA C5HA C3GA 116.9(5) . . ?
C2HA C5HA C3GA 107.6(4) . . ?
C3DA C4EA C4GA 120.5(5) . . ?
C3DA C4EA C1JA 120.5(4) . . ?
C4GA C4EA C1JA 105.5(4) . . ?
C2FA C4JA C6JA 121.8(6) . . ?
C2FA C4JA C2JA 121.5(4) . . ?
C6JA C4JA C2JA 107.6(4) . . ?
C5KA C4KA C3EA 121.9(4) . . ?
C5KA C4KA C3KA 119.7(4) . . ?
C3EA C4KA C3KA 107.7(4) . . ?
C6HA C3HA C7EA 120.9(5) . . ?
C6HA C3HA C0HA 120.7(5) . . ?
C7EA C3HA C0HA 105.5(4) . . ?
C6EA C0GA C7HA 120.5(4) . . ?
C6EA C0GA C0HA 115.6(4) . . ?
C7HA C0GA C0HA 108.9(4) . . ?
C8HA C7EA C7HA 119.4(4) . . ?
C8HA C7EA C3HA 119.7(5) . . ?
C7HA C7EA C3HA 111.0(4) . . ?
C2EA C7HA C7EA 119.4(4) . . ?
C2EA C7HA C0GA 119.1(4) . . ?
C7EA C7HA C0GA 108.0(4) . . ?
C4FA C2IA C6EA 119.1(4) . . ?
C4FA C2IA C1JA 118.4(4) . . ?
C6EA C2IA C1JA 106.5(4) . . ?
C2EA C4FA C2IA 120.3(4) . . ?
C2EA C4FA C7IA 106.9(4) . . ?
C2IA C4FA C7IA 119.5(4) . . ?
C7CA C5EA C2EA 116.7(6) . . ?
C7CA C5EA C8IA 122.4(6) . . ?
C2EA C5EA C8IA 108.2(4) . . ?
C8EA C9DA C9CA 119.0(4) . . ?
C8EA C9DA C7CA 117.5(6) . . ?
C9CA C9DA C7CA 108.1(5) . . ?
C8IA C9IA C3KA 118.5(4) . . ?
C8IA C9IA C8EA 118.4(5) . . ?
C3KA C9IA C8EA 108.3(4) . . ?
C9DA C8EA C3EA 120.2(4) . . ?
C9DA C8EA C9IA 119.7(5) . . ?
C3EA C8EA C9IA 107.6(4) . . ?
C6JA C1DA C6IA 112.8(5) . . ?
C6JA C1DA C6 125.6(6) . . ?
C6IA C1DA C6 109.0(4) . . ?
C1DA C6JA C4JA 123.6(6) . . ?
C1DA C6JA C5JA 110.9(5) . . ?
C4JA C6JA C5JA 108.9(5) . . ?
C2AA C1JA C4EA 119.9(4) . . ?
C2AA C1JA C2IA 122.1(4) . . ?
C4EA C1JA C2IA 109.0(4) . . ?
C1JA C2AA C1AA 120.4(4) . . ?
C1JA C2AA C4AA 120.2(4) . . ?
C1AA C2AA C4AA 108.7(4) . . ?
C2KA C3KA C9IA 121.4(5) . . ?
C2KA C3KA C4KA 120.1(4) . . ?
C9IA C3KA C4KA 107.2(4) . . ?
C1KA C6 C1DA 118.9(6) . . ?
C1KA C6 C5KA 121.9(5) . . ?
C1DA C6 C5KA 106.7(4) . . ?
C5JA C1AA C2AA 119.0(4) . . ?
C5JA C1AA C1KA 120.9(6) . . ?
C2AA C1AA C1KA 107.7(4) . . ?
C1AA C5JA C6JA 121.0(6) . . ?
C1AA C5JA C3DA 120.3(4) . . ?
C6JA C5JA C3DA 107.1(4) . . ?
C1L C8GA C2L 137.0(10) . . ?
C1L C8GA C3AA 112.2(7) . . ?
C2L C8GA C3AA 24.9(4) . . ?
C1L C8GA C2GA 8.2(5) . . ?
C2L C8GA C2GA 143.8(7) . . ?
C3AA C8GA C2GA 119.2(5) . . ?
C1L C8GA C7L 58.6(6) . . ?
C2L C8GA C7L 163.7(7) . . ?
C3AA C8GA C7L 168.6(6) . . ?
C2GA C8GA C7L 52.2(4) . . ?
C1L C8GA C6L 24.7(4) . . ?
C2L C8GA C6L 112.4(6) . . ?
C3AA C8GA C6L 87.5(4) . . ?
C2GA C8GA C6L 32.1(3) . . ?
C7L C8GA C6L 83.1(4) . . ?
C2L C3AA C3L 151.4(10) . . ?
C2L C3AA C8GA 31.0(5) . . ?
C3L C3AA C8GA 176.6(9) . . ?
C2L C3AA C8CA 150.9(7) . . ?
C3L C3AA C8CA 57.7(6) . . ?
C8GA C3AA C8CA 119.8(5) . . ?
C2L C3AA C1L 52.7(5) . . ?
C3L C3AA C1L 155.6(7) . . ?
C8GA C3AA C1L 21.7(3) . . ?
C8CA C3AA C1L 98.2(4) . . ?
C2L C3AA C4L 159.5(7) . . ?
C3L C3AA C4L 48.7(4) . . ?
C8GA C3AA C4L 128.6(5) . . ?
C8CA C3AA C4L 9.6(3) . . ?
C1L C3AA C4L 106.9(3) . . ?
C2GA C8FA C0DA 120.5(5) . . ?
C2GA C8FA C5L 122.9(5) . . ?
C0DA C8FA C5L 2.4(3) . . ?
C2GA C8FA C1L 23.4(3) . . ?
C0DA C8FA C1L 97.0(4) . . ?
C5L C8FA C1L 99.4(4) . . ?
C2GA C8FA C9JA 132.0(8) . . ?
C0DA C8FA C9JA 103.5(7) . . ?
C5L C8FA C9JA 101.2(7) . . ?
C1L C8FA C9JA 151.1(7) . . ?
C3L C8CA C0DA 153.7(6) . . ?
C3L C8CA C5L 156.6(7) . . ?
C0DA C8CA C5L 3.1(4) . . ?
C3L C8CA C3AA 34.2(4) . . ?
C0DA C8CA C3AA 120.7(6) . . ?
C5L C8CA C3AA 123.8(5) . . ?
C3L C8CA C2L 43.7(2) . . ?
C0DA C8CA C2L 111.3(4) . . ?
C5L C8CA C2L 114.4(4) . . ?
C3AA C8CA C2L 9.5(3) . . ?
C1L C2GA C6L 98.0(7) . . ?
C1L C2GA C8FA 112.9(7) . . ?
C6L C2GA C8FA 15.7(4) . . ?
C1L C2GA C7L 78.5(6) . . ?
C6L C2GA C7L 162.4(8) . . ?
C8FA C2GA C7L 163.5(7) . . ?
C1L C2GA C8GA 7.6(5) . . ?
C6L C2GA C8GA 104.9(5) . . ?
C8FA C2GA C8GA 119.6(5) . . ?
C7L C2GA C8GA 72.7(5) . . ?
C5EA C7CA C8HA 130.6(8) . . ?
C5EA C7CA C9DA 119.7(8) . . ?
C8HA C7CA C9DA 103.2(7) . . ?
C7GA C0HA C0GA 126.5(6) . . ?
C7GA C0HA C3HA 120.1(6) . . ?
C0GA C0HA C3HA 106.3(4) . . ?
C3KA C2KA C4AA 123.1(5) . . ?
C3KA C2KA C1KA 119.5(5) . . ?
C4AA C2KA C1KA 108.0(4) . . ?
C6 C1KA C2KA 120.8(5) . . ?
C6 C1KA C1AA 122.5(5) . . ?
C2KA C1KA C1AA 107.2(4) . . ?
C7JA C8JA C0KA 121.4(6) . . ?
C6AA C5AA C5FA 122.2(6) . . ?
C5AA C6AA C0JA 115.8(6) . . ?
C9EA C5FA C5AA 110.7(6) . . ?
C5FA C9EA C4IA 102.8(6) . . ?
C0JA C4IA C2LA 132.4(8) . . ?
C0JA C4IA C9EA 114.5(6) . . ?
C2LA C4IA C9EA 108.6(7) . . ?
C4IA C0JA C6AA 122.6(6) . . ?

_refine_diff_density_max         1.171
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.109



####################################################################### 
# 
# 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_exp_9539_sq
_database_code_depnum_ccdc_archive 'CCDC 2191567'
loop_
_audit_author_name
_audit_author_address
'fang pengwei'
;University of Science and Technology of China
China
;
_audit_update_record             
;
2022-07-20 deposited with the CCDC.	2023-04-26 downloaded from the CCDC.
;
_audit_creation_date             2022-07-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C134 H97, 0.5(C60), 2(C6 H5 Cl)'
_chemical_formula_sum            'C176 H107 Cl2'
_chemical_formula_weight         2292.51
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.9267(3)
_cell_length_b                   20.9291(4)
_cell_length_c                   22.0491(5)
_cell_angle_alpha                90.828(2)
_cell_angle_beta                 108.688(2)
_cell_angle_gamma                93.047(2)
_cell_volume                     6948.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    29419
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      69.1100
_cell_measurement_theta_min      2.8960
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.817
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83066
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.096
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             2394
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_unetI/netI     0.0502
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            84249
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.639
_diffrn_reflns_theta_min         2.934
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20451
_reflns_number_total             25463
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.917
_refine_diff_density_min         -1.220
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1910
_refine_ls_number_reflns         25463
_refine_ls_number_restraints     891
_refine_ls_R_factor_all          0.1311
_refine_ls_R_factor_gt           0.1178
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1811P)²+20.4218P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3410
_refine_ls_wR_factor_ref         0.3518
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups, {H1FB,H1FC} of C1FA
 At 0.8 times of:
  H1FA of C1FA
 At 1.2 times of:
  H030 of C030, H034 of C034, H02Y of C02Y, H02Z of C02Z, H02N of C02N, H02L
  of C02L, H02W of C02W, H02M of C02M, H02S of C02S, H032 of C032, H02K of C02K,
   H02V of C02V, H03O of C03O, H03H of C03E, {H03D,H03E} of C035, H039 of C039,
  H03F of C03B, H03N of C03N, H03I of C03H, H036 of C036, H03G of C03D, H03K of
  C03K, H047 of C047, H03X of C03X, H04D of C04D, H03R of C03R, H010 of C010,
  H01A of C01A, H01G of C01G, H011 of C011, H012 of C012, H016 of C016, H00Y of
  C00Y, H019 of C019, H01B of C01B, H00Z of C00Z, H01D of C01D, H01S of C01S,
  H01T of C01T, H01K of C01K, H01L of C01L, H01X of C01X, H01M of C01M, H01J of
  C01J, H01P of C01P, H01R of C01R, H01W of C01W, H01Q of C01Q, H01Y of C01Y,
  H026 of C026, H02F of C02F, H02E of C02E, H02G of C02G, H022 of C022, H021 of
  C021, H02A of C02A, H024 of C024, H02B of C02B, H020 of C020, H023 of C023,
  H028 of C028, H02C of C02C, H02I of C02I, H02H of C02H, H02J of C02J, H7AA of
  C7AA, H5AA of C5AA, H0BA of C0BA, H4AA of C4AA, H2BA of C2BA, H3AA of C3AA,
  H9AA of C9AA, H2AA of C2AA, H8AA of C8AA, H8 of C8, H04H of C04H, H04P of
  C04P, H00D of C00D, H00E of C00E, H00J of C00J, H00P of C00P, H00R of C00R,
  H00S of C00S, H00U of C00U, H00I of C00I, H00G of C00G, H00Q of C00Q, H00W of
  C00W
2. Restrained distances
 C0DA-C7EA = C9EA-C0FA = C6FA-C7BA = C5CA-C6CA
 1.4 with sigma of 0.01
 C2CA-C3GA = C7FA-C8FA = C9FA-C6
 1.4 with sigma of 0.01
 C4CA-C1DA = C1DA-C8EA = C3-C4 = C6CA-C5GA
 1.4 with sigma of 0.01
 C1-C2
 1.4 with sigma of 0.01
 C0AA-C3BA \\sim C3BA-C4BA \\sim C4BA-C0AA
 with sigma of 0.02
 C5BA-C6DA \\sim C6DA-C1FA \\sim C1FA-C5BA
 with sigma of 0.02
 C1BA-C0AA \\sim C1BA-C3BA \\sim C1BA-C4BA
 with sigma of 0.02
 C1BA-C5BA \\sim C1BA-C6DA \\sim C1BA-C1FA
 with sigma of 0.02
 C2EA-C3DA \\sim C1EA-C4DA \\sim C3DA-C5DA \\sim C4DA-C2EA \\sim C5DA-C1EA
 with sigma of 0.02
 C2EA-C1EA \\sim C1EA-C3DA \\sim C3DA-C4DA \\sim C4DA-C5DA \\sim C5DA-C2EA
 with sigma of 0.02
 C1EA-C8CA \\sim C2EA-C6EA \\sim C8CA-C3EA \\sim C6EA-C9CA \\sim C3EA-C1EA
\\sim C9CA-C2EA
 with sigma of 0.02
 C1EA-C6EA \\sim C2EA-C3EA \\sim C8CA-C9CA
 with sigma of 0.02
 C0DA-C9EA \\sim C7EA-C0FA \\sim C9EA-C6FA \\sim C0FA-C7BA \\sim C6FA-C0DA
\\sim C7BA-C7EA
 with sigma of 0.02
 C0DA-C0FA \\sim C7EA-C6FA \\sim C9EA-C7BA
 with sigma of 0.02
 C0FA-C9FA \\sim C6-C5FA \\sim C9FA-C6FA \\sim C5FA-C0FA \\sim C6FA-C6
 with sigma of 0.02
 C0FA-C6 \\sim C6-C9FA \\sim C9FA-C5FA \\sim C5FA-C6FA \\sim C6FA-C0FA
 with sigma of 0.02
 C8FA-C8BA \\sim C7FA-C9BA \\sim C8BA-C0CA \\sim C9BA-C8FA \\sim C0CA-C7FA
 with sigma of 0.02
 C8FA-C7FA \\sim C7FA-C8BA \\sim C8BA-C9BA \\sim C9BA-C0CA \\sim C0CA-C8FA
 with sigma of 0.02
 C2CA-C7FA \\sim C3GA-C8FA \\sim C7FA-C9FA \\sim C8FA-C6 \\sim C9FA-C2CA \\sim
C6-C3GA
 with sigma of 0.02
 C2CA-C8FA \\sim C3GA-C9FA \\sim C7FA-C6
 with sigma of 0.02
 C3EA-C5EA \\sim C4EA-C1CA \\sim C5EA-C4CA \\sim C1CA-C6EA \\sim C4CA-C3EA
\\sim C6EA-C4EA
 with sigma of 0.02
 C3EA-C1CA \\sim C4EA-C4CA \\sim C5EA-C6EA
 with sigma of 0.02
 C0GA-C9DA \\sim C0EA-C8DA \\sim C9DA-C7DA \\sim C8DA-C0GA \\sim C7DA-C0EA
 with sigma of 0.02
 C0GA-C0EA \\sim C0EA-C9DA \\sim C9DA-C8DA \\sim C8DA-C7DA \\sim C7DA-C0GA
 with sigma of 0.02
 C5-C0GA \\sim C4-C0EA \\sim C0GA-C2GA \\sim C0EA-C1GA \\sim C2GA-C5 \\sim
C1GA-C4
 with sigma of 0.02
 C5-C0EA \\sim C4-C2GA \\sim C0GA-C1GA
 with sigma of 0.02
 C3CA-C2GA \\sim C1GA-C3GA \\sim C2GA-C2CA \\sim C3GA-C3CA \\sim C2CA-C1GA
 with sigma of 0.02
 C3CA-C1GA \\sim C1GA-C2GA \\sim C2GA-C3GA \\sim C3GA-C2CA \\sim C2CA-C3CA
 with sigma of 0.02
 C4GA-C2FA \\sim C4FA-C3FA \\sim C2FA-C2DA \\sim C3FA-C4GA \\sim C2DA-C4FA
 with sigma of 0.02
 C4GA-C4FA \\sim C4FA-C2FA \\sim C2FA-C3FA \\sim C3FA-C2DA \\sim C2DA-C4GA
 with sigma of 0.02
 C5FA-C7BA \\sim C6FA-C6BA \\sim C7BA-C4GA \\sim C6BA-C2DA \\sim C4GA-C5FA
\\sim C2DA-C6FA
 with sigma of 0.02
 C5FA-C6BA \\sim C6FA-C4GA \\sim C7BA-C2DA
 with sigma of 0.02
 C5GA-C3 \\sim C6CA-C4 \\sim C3-C5 \\sim C4-C5GA \\sim C5-C6CA
 with sigma of 0.02
 C5GA-C6CA \\sim C6CA-C3 \\sim C3-C4 \\sim C4-C5 \\sim C5-C5GA
 with sigma of 0.02
 C2-C5EA \\sim C7CA-C1CA \\sim C5EA-C5CA \\sim C1CA-C2 \\sim C5CA-C7CA
 with sigma of 0.02
 C2-C7CA \\sim C7CA-C5EA \\sim C5EA-C1CA \\sim C1CA-C5CA \\sim C5CA-C2
 with sigma of 0.02
3. Restrained planarity
 C5FA, C9FA, C6, C0FA, C6FA
 with sigma of 0.1
 C8FA, C9FA, C5FA, C2DA, C3FA, C0CA
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C5BA \\sim C4BA \\sim C6DA \\sim C3BA \\sim C1FA \\sim C0AA: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C9FA \\sim C2EA \\sim C8CA \\sim C1EA \\sim C5DA \\sim C6EA \\sim C8EA \\sim
C9CA \\sim C3DA \\sim C4DA \\sim C8DA \\sim C3EA \\sim C4CA \\sim C1DA \\sim
C7DA \\sim C03W \\sim C2FA \\sim C9BA \\sim C9DA \\sim C4EA \\sim C1CA \\sim C3
\\sim C0GA \\sim C03V \\sim C4FA \\sim C3FA \\sim C0CA \\sim C8BA \\sim C0EA
\\sim C5EA \\sim C5CA \\sim C6CA \\sim C4 \\sim C041 \\sim C4GA \\sim C2DA
\\sim C8FA \\sim C7FA \\sim C2GA \\sim C7CA \\sim C2 \\sim C5GA \\sim C5 \\sim
C03M \\sim C6BA \\sim C5FA \\sim C3GA \\sim C1GA \\sim C1 \\sim C14O \\sim C0DA
\\sim C7BA \\sim C6FA \\sim C6 \\sim C2CA \\sim C3CA \\sim C7EA \\sim C140
\\sim C0FA \\sim C9EA: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C8FA) \\sim Ueq, Uanis(C4EA) \\sim Ueq, Uanis(C7CA) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Sof(C5BA)=Sof(H5BA)=Sof(H5BB)=Sof(H5BC)=Sof(C6DA)=Sof(H6DA)=Sof(H6DB)=
 Sof(H6DC)=Sof(C1FA)=Sof(H1FA)=Sof(H1FB)=Sof(H1FC)=1-FVAR(1)
 Sof(C3BA)=Sof(H3BA)=Sof(H3BB)=Sof(H3BC)=Sof(C4BA)=Sof(H4BA)=Sof(H4BB)=
 Sof(H4BC)=Sof(C0AA)=Sof(H0AA)=Sof(H0AB)=Sof(H0AC)=FVAR(1)
 Fixed Sof: C2EA(0.5) C8CA(0.5) C03M(0.5) C9CA(0.5) C03V(0.5) C03W(0.5)
 C5FA(0.5) C1EA(0.5) C041(0.5) C0CA(0.5) C4DA(0.5) C3FA(0.5) C2DA(0.5)
 C6EA(0.5) C7CA(0.5) C6BA(0.5) C5DA(0.5) C9BA(0.5) C8FA(0.5) C4GA(0.5)
 C3EA(0.5) C2FA(0.5) C4EA(0.5) C3DA(0.5) C6FA(0.5) C7BA(0.5) C5EA(0.5)
 C8DA(0.5) C4FA(0.5) C9FA(0.5) C9EA(0.5) C0FA(0.5) C9DA(0.5) C3CA(0.5)
 C2GA(0.5) C1GA(0.5) C1DA(0.5) C140(0.5) C0EA(0.5) C5CA(0.5) C1(0.5) C6CA(0.5)
 C3(0.5) C6(0.5) C8BA(0.5) C0GA(0.5) C7EA(0.5) C2(0.5) C1CA(0.5) C4(0.5)
 C2CA(0.5) C5GA(0.5) C3GA(0.5) C14O(0.5) C8EA(0.5) C7DA(0.5) C7FA(0.5)
 C0DA(0.5) C5(0.5) C4CA(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C035(H03D,H03E)
6.b Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00E(H00E), C00G(H00G), C00I(H00I), C00J(H00J), C00P(H00P),
 C00Q(H00Q), C00R(H00R), C00S(H00S), C00U(H00U), C00W(H00W), C00Y(H00Y),
 C00Z(H00Z), C010(H010), C011(H011), C012(H012), C016(H016), C019(H019),
 C01A(H01A), C01B(H01B), C01D(H01D), C01G(H01G), C01J(H01J), C01K(H01K),
 C01L(H01L), C01M(H01M), C01P(H01P), C01Q(H01Q), C01R(H01R), C01S(H01S),
 C01T(H01T), C01W(H01W), C01X(H01X), C01Y(H01Y), C020(H020), C021(H021),
 C022(H022), C023(H023), C024(H024), C026(H026), C028(H028), C02A(H02A),
 C02B(H02B), C02C(H02C), C02E(H02E), C02F(H02F), C02G(H02G), C02H(H02H),
 C02I(H02I), C02J(H02J), C02K(H02K), C02L(H02L), C02M(H02M), C02N(H02N),
 C02S(H02S), C02V(H02V), C02W(H02W), C02Y(H02Y), C02Z(H02Z), C030(H030),
 C032(H032), C034(H034), C036(H036), C039(H039), C03B(H03F), C03D(H03G),
 C03E(H03H), C03H(H03I), C03K(H03K), C03N(H03N), C03O(H03O), C03R(H03R),
 C03X(H03X), C047(H047), C04D(H04D), C04H(H04H), C04P(H04P), C2BA(H2BA),
 C4AA(H4AA), C2AA(H2AA), C3AA(H3AA), C8(H8), C8AA(H8AA), C7AA(H7AA), C9AA(H9AA),
  C5AA(H5AA), C0BA(H0BA)
6.c Idealised Me refined as rotating group:
 C031(H03A,H03B,H03C), C03T(H03J,H03L,H03M), C03Y(H03P,H03Q,H03S), C3BA(H3BA,
 H3BB,H3BC), C4BA(H4BA,H4BB,H4BC), C5BA(H5BA,H5BB,H5BC), C0AA(H0AA,H0AB,H0AC),
 C6DA(H6DA,H6DB,H6DC), C1FA(H1FA,H1FB,H1FC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
C006 C 0.8161(3) 0.2372(2) 0.6863(2) 0.0356(9) Uani 1 1 d . . . A 21
C007 C 0.7805(3) 0.0554(2) 0.6003(2) 0.0350(9) Uani 1 1 d . . . A 21
C008 C 0.6852(3) 0.16502(19) 0.6965(2) 0.0335(8) Uani 1 1 d . . . A 21
C009 C 0.6091(3) 0.16299(19) 0.71612(19) 0.0332(8) Uani 1 1 d . . . A 21
C00A C 0.5346(3) 0.0802(2) 0.6317(2) 0.0352(9) Uani 1 1 d . . . A 21
C00B C 0.5383(3) 0.1127(2) 0.6888(2) 0.0353(9) Uani 1 1 d . . . A 21
C00C C 0.6717(3) 0.2535(2) 0.7901(2) 0.0378(9) Uani 1 1 d . . . A 21
C00D C 0.9054(3) 0.2536(2) 0.7164(2) 0.0385(9) Uani 1 1 d . . . A 21
H00D H 0.9357 0.2349 0.7559 0.046 Uiso 1 1 calc R . . A 21
C00E C 0.7778(3) 0.2560(2) 0.6234(2) 0.0365(9) Uani 1 1 d . . . A 21
H00E H 0.7198 0.2394 0.5992 0.044 Uiso 1 1 calc R . . A 21
C00F C 0.6133(3) 0.0825(2) 0.6110(2) 0.0361(9) Uani 1 1 d . . . A 21
C00G C 0.7727(3) 0.1015(2) 0.6434(2) 0.0350(9) Uani 1 1 d . . . A 21
H00G H 0.8254 0.1232 0.6709 0.042 Uiso 1 1 calc R . . A 21
C00H C 1.0204(3) -0.0429(2) 0.6618(2) 0.0377(9) Uani 1 1 d . . . A 21
C00I C 0.4158(3) 0.27484(19) 0.8132(2) 0.0366(9) Uani 1 1 d . . . A 21
H00I H 0.4021 0.2825 0.8515 0.044 Uiso 1 1 calc R . . A 21
C00J C 0.3330(3) 0.4028(2) 0.8005(2) 0.0423(10) Uani 1 1 d . . . A 21
H00J H 0.3782 0.3959 0.8397 0.051 Uiso 1 1 calc R . . A 21
C00K C 0.8672(3) 0.0274(2) 0.6093(2) 0.0361(9) Uani 1 1 d . . . A 21
C00L C 0.7527(3) 0.2155(2) 0.7210(2) 0.0340(9) Uani 1 1 d . . . A 21
C00M C 0.6913(3) 0.1176(2) 0.6487(2) 0.0338(8) Uani 1 1 d . . . A 21
C00N C 0.3636(3) 0.29988(19) 0.7566(2) 0.0359(9) Uani 1 1 d . . . A 21
C00O C 0.5994(3) 0.2105(2) 0.7593(2) 0.0367(9) Uani 1 1 d . . . A 21
C00P C 0.4876(3) 0.2390(2) 0.8156(2) 0.0370(9) Uani 1 1 d . . . A 21
H00P H 0.5216 0.2217 0.8549 0.044 Uiso 1 1 calc R . . A 21
C00Q C 0.9509(3) 0.2970(2) 0.6896(2) 0.0394(9) Uani 1 1 d . . . A 21
H00Q H 1.0118 0.3086 0.7114 0.047 Uiso 1 1 calc R . . A 21
C00R C 0.9475(3) 0.0573(2) 0.6494(2) 0.0387(9) Uani 1 1 d . . . A 21
H00R H 0.9505 0.1019 0.6592 0.046 Uiso 1 1 calc R . . A 21
C00S C 0.3796(3) 0.28182(19) 0.7003(2) 0.0361(9) Uani 1 1 d . . . A 21
H00S H 0.3405 0.2937 0.6602 0.043 Uiso 1 1 calc R . . A 21
C00T C 0.5095(3) 0.22845(19) 0.7603(2) 0.0344(9) Uani 1 1 d . . . A 21
C00U C 0.4808(3) 0.0927(2) 0.7215(2) 0.0369(9) Uani 1 1 d . . . A 21
H00U H 0.4878 0.1121 0.7622 0.044 Uiso 1 1 calc R . . A 21
C00V C 0.7481(3) 0.2565(2) 0.7700(2) 0.0359(9) Uani 1 1 d . . . A 21
C00W C 0.4594(3) 0.0385(2) 0.6027(2) 0.0394(9) Uani 1 1 d . . . A 21
H00W H 0.4494 0.0215 0.5607 0.047 Uiso 1 1 calc R . . A 21
C00X C 0.3720(3) 0.0124(2) 0.7406(2) 0.0416(10) Uani 1 1 d . . . A 21
C00Y C 0.8061(3) 0.3680(2) 0.7627(2) 0.0419(10) Uani 1 1 d . . . A 21
H00Y H 0.7563 0.3721 0.7255 0.050 Uiso 1 1 calc R . . A 21
C00Z C 0.4518(3) 0.24666(19) 0.7023(2) 0.0353(9) Uani 1 1 d . . . A 21
H00Z H 0.4619 0.2350 0.6635 0.042 Uiso 1 1 calc R . . A 21
C010 C 0.8876(3) 0.3076(2) 0.8503(2) 0.0403(10) Uani 1 1 d . . . A 21
H010 H 0.8940 0.2699 0.8746 0.048 Uiso 1 1 calc R . . A 21
C011 C 0.7008(3) 0.0285(2) 0.5561(2) 0.0431(10) Uani 1 1 d . . . A 21
H011 H 0.7029 0.0016 0.5217 0.052 Uiso 1 1 calc R . . A 21
C012 C 0.8709(3) -0.0361(2) 0.5894(2) 0.0401(10) Uani 1 1 d . . . A 21
H012 H 0.8209 -0.0561 0.5574 0.048 Uiso 1 1 calc R . . A 21
C013 C 0.8145(3) 0.3109(2) 0.7953(2) 0.0365(9) Uani 1 1 d . . . A 21
C014 C 0.9085(3) 0.3236(2) 0.6309(2) 0.0394(9) Uani 1 1 d . . . A 21
C015 C 0.9398(3) 0.3853(2) 0.6112(2) 0.0415(10) Uani 1 1 d . . . A 21
C016 C 1.0891(3) -0.1489(2) 0.6887(2) 0.0441(10) Uani 1 1 d . . . A 21
H016 H 1.0791 -0.1609 0.6452 0.053 Uiso 1 1 calc R . . A 21
C017 C 0.4131(3) 0.0449(2) 0.6969(2) 0.0400(10) Uani 1 1 d . . . A 21
C018 C 0.3053(3) 0.3534(2) 0.7545(2) 0.0372(9) Uani 1 1 d . . . A 21
C019 C 0.9447(3) -0.0702(2) 0.6149(2) 0.0396(9) Uani 1 1 d . . . A 21
H019 H 0.9444 -0.1132 0.6004 0.047 Uiso 1 1 calc R . . A 21
C01A C 1.0220(3) 0.0232(2) 0.6747(2) 0.0405(10) Uani 1 1 d . . . A 21
H01A H 1.0754 0.0448 0.7014 0.049 Uiso 1 1 calc R . . A 21
C01B C 0.9243(3) 0.4017(2) 0.5483(2) 0.0424(10) Uani 1 1 d . . . A 21
H01B H 0.9086 0.3689 0.5157 0.051 Uiso 1 1 calc R . . A 21
C01C C 0.2292(3) 0.4737(2) 0.7343(2) 0.0407(10) Uani 1 1 d . . . A 21
C01D C 0.6212(3) 0.0410(2) 0.5625(2) 0.0421(10) Uani 1 1 d . . . A 21
H01D H 0.5687 0.0210 0.5331 0.051 Uiso 1 1 calc R . . A 21
C01E C 0.6666(3) 0.3015(2) 0.8392(2) 0.0424(10) Uani 1 1 d . . . A 21
C01F C 0.9438(3) 0.4147(2) 0.8369(2) 0.0433(10) Uani 1 1 d . . . A 21
C01G C 0.9312(3) 0.4657(2) 0.5313(2) 0.0438(10) Uani 1 1 d . . . A 21
H01G H 0.9187 0.4754 0.4875 0.053 Uiso 1 1 calc R . . A 21
C01H C 0.2094(3) 0.5396(2) 0.7136(2) 0.0420(10) Uani 1 1 d . . . A 21
C01I C 0.2267(3) 0.6675(2) 0.6773(3) 0.0443(11) Uani 1 1 d . . . A 21
C01J C 0.2299(3) 0.3628(2) 0.7015(2) 0.0405(10) Uani 1 1 d . . . A 21
H01J H 0.2040 0.3282 0.6720 0.049 Uiso 1 1 calc R . . A 21
C01K C 0.9710(3) 0.4355(2) 0.6579(2) 0.0408(10) Uani 1 1 d . . . A 21
H01K H 0.9871 0.4258 0.7019 0.049 Uiso 1 1 calc R . . A 21
C01L C 0.8689(3) 0.4190(2) 0.7836(2) 0.0459(11) Uani 1 1 d . . . A 21
H01L H 0.8604 0.4576 0.7609 0.055 Uiso 1 1 calc R . . A 21
C01M C 0.8231(3) 0.2983(2) 0.5957(2) 0.0391(9) Uani 1 1 d . . . A 21
H01M H 0.7964 0.3104 0.5527 0.047 Uiso 1 1 calc R . . A 21
C01N C 0.2632(3) 0.7284(2) 0.6588(3) 0.0486(11) Uani 1 1 d . . . A 21
C01O C 0.9464(3) 0.5834(2) 0.5612(2) 0.0436(10) Uani 1 1 d . . . A 21
C01P C 1.1132(3) -0.0682(2) 0.7708(3) 0.0464(11) Uani 1 1 d . . . A 21
H01P H 1.1195 -0.0241 0.7835 0.056 Uiso 1 1 calc R . . A 21
C01Q C 0.4001(3) 0.0222(2) 0.6345(2) 0.0407(10) Uani 1 1 d . . . A 21
H01Q H 0.3493 -0.0052 0.6134 0.049 Uiso 1 1 calc R . . A 21
C01R C 0.9785(3) 0.4984(2) 0.6411(2) 0.0452(11) Uani 1 1 d . . . A 21
H01R H 0.9997 0.5309 0.6738 0.054 Uiso 1 1 calc R . . A 21
C01S C 0.9510(3) 0.3579(2) 0.8703(2) 0.0445(10) Uani 1 1 d . . . A 21
H01S H 1.0007 0.3537 0.9076 0.053 Uiso 1 1 calc R . . A 21
C01T C 0.2968(3) 0.4616(2) 0.7907(3) 0.0468(11) Uani 1 1 d . . . A 21
H01T H 0.3182 0.4946 0.8230 0.056 Uiso 1 1 calc R . . A 21
C01U C 0.8221(3) 0.7611(2) 0.5419(3) 0.0492(11) Uani 1 1 d . . . A 21
C01V C 0.9558(3) 0.5151(2) 0.5774(2) 0.0426(10) Uani 1 1 d . . . A 21
C01W C 0.1927(3) 0.4214(2) 0.6916(3) 0.0445(10) Uani 1 1 d . . . A 21
H01W H 0.1417 0.4265 0.6554 0.053 Uiso 1 1 calc R . . A 21
C01X C 0.2320(3) 0.6543(2) 0.7401(3) 0.0490(12) Uani 1 1 d . . . A 21
H01X H 0.2413 0.6887 0.7706 0.059 Uiso 1 1 calc R . . A 21
C01Y C 0.3438(3) -0.0516(2) 0.7295(3) 0.0479(11) Uani 1 1 d . . . A 21
H01Y H 0.3296 -0.0700 0.6875 0.057 Uiso 1 1 calc R . . A 21
C01Z C 0.3674(3) 0.8156(2) 0.6121(3) 0.0498(12) Uani 1 1 d . . . A 21
C020 C 0.2810(3) 0.7952(2) 0.5739(3) 0.0509(12) Uani 1 1 d . . . A 21
H020 H 0.2571 0.8110 0.5321 0.061 Uiso 1 1 calc R . . A 21
C021 C 0.7644(4) 0.7849(2) 0.4864(3) 0.0534(12) Uani 1 1 d . . . A 21
H021 H 0.7740 0.7770 0.4466 0.064 Uiso 1 1 calc R . . A 21
C022 C 0.3749(3) 0.0398(2) 0.7993(2) 0.0462(11) Uani 1 1 d . . . A 21
H022 H 0.3831 0.0850 0.8056 0.055 Uiso 1 1 calc R . . A 21
C023 C 0.6262(4) 0.3582(2) 0.8228(3) 0.0510(12) Uani 1 1 d . . . A 21
H023 H 0.6025 0.3684 0.7790 0.061 Uiso 1 1 calc R . . A 21
C024 C 0.2241(3) 0.5924(2) 0.7588(3) 0.0452(11) Uani 1 1 d . . . A 21
H024 H 0.2283 0.5846 0.8020 0.054 Uiso 1 1 calc R . . A 21
C025 C 1.1296(3) -0.1784(2) 0.8005(3) 0.0476(11) Uani 1 1 d . . . A 21
C026 C 0.2022(3) 0.6168(2) 0.6321(3) 0.0458(11) Uani 1 1 d . . . A 21
H026 H 0.1903 0.6252 0.5880 0.055 Uiso 1 1 calc R . . A 21
C027 C 0.5919(3) 0.8517(2) 0.5514(3) 0.0472(11) Uani 1 1 d . . . A 21
C028 C 0.9809(3) 0.6333(2) 0.6070(3) 0.0489(11) Uani 1 1 d . . . A 21
H028 H 1.0272 0.6253 0.6453 0.059 Uiso 1 1 calc R . . A 21
C029 C 0.4352(3) 0.8428(2) 0.5848(3) 0.0485(12) Uani 1 1 d . . . A 21
C02A C 1.1121(3) -0.1947(2) 0.7360(3) 0.0499(12) Uani 1 1 d . . . A 21
H02A H 1.1159 -0.2379 0.7238 0.060 Uiso 1 1 calc R . . A 21
C02B C 0.1950(3) 0.5543(2) 0.6509(2) 0.0445(10) Uani 1 1 d . . . A 21
H02B H 0.1796 0.5206 0.6192 0.053 Uiso 1 1 calc R . . A 21
C02C C 0.5111(4) 0.8795(2) 0.6233(3) 0.0542(13) Uani 1 1 d . . . A 21
H02C H 0.5096 0.9015 0.6609 0.065 Uiso 1 1 calc R . . A 21
C02D C 1.0808(3) -0.0852(2) 0.7061(2) 0.0420(10) Uani 1 1 d . . . A 21
C02E C 0.3359(3) -0.0895(2) 0.7789(3) 0.0502(12) Uani 1 1 d . . . A 21
H02E H 0.3172 -0.1334 0.7698 0.060 Uiso 1 1 calc R . . A 21
C02F C 0.5118(3) 0.8247(2) 0.5087(3) 0.0502(12) Uani 1 1 d . . . A 21
H02F H 0.5102 0.8093 0.4676 0.060 Uiso 1 1 calc R . . A 21
C02G C 1.1367(3) -0.1133(2) 0.8172(3) 0.0499(11) Uani 1 1 d . . . A 21
H02G H 1.1579 -0.0999 0.8611 0.060 Uiso 1 1 calc R . . A 21
C02H C 0.8918(3) 0.6022(2) 0.5016(3) 0.0481(11) Uani 1 1 d . . . A 21
H02H H 0.8764 0.5723 0.4664 0.058 Uiso 1 1 calc R . . A 21
C02I C 0.3949(3) 0.7987(2) 0.6759(3) 0.0527(12) Uani 1 1 d . . . A 21
H02I H 0.4494 0.8170 0.7043 0.063 Uiso 1 1 calc R . . A 21
C02J C 0.5872(4) 0.8834(2) 0.6063(3) 0.0522(12) Uani 1 1 d . . . A 21
H02J H 0.6378 0.9082 0.6326 0.063 Uiso 1 1 calc R . . A 21
C02K C 0.2303(3) 0.7521(2) 0.5970(3) 0.0499(12) Uani 1 1 d . . . A 21
H02K H 0.1722 0.7384 0.5704 0.060 Uiso 1 1 calc R . . A 21
C02L C 0.7419(3) 0.8158(2) 0.6011(3) 0.0525(12) Uani 1 1 d . . . A 21
H02L H 0.7381 0.8286 0.6415 0.063 Uiso 1 1 calc R . . A 21
C02M C 0.6933(4) 0.8200(2) 0.4874(3) 0.0542(12) Uani 1 1 d . . . A 21
H02M H 0.6549 0.8354 0.4486 0.065 Uiso 1 1 calc R . . A 21
C02N C 0.8593(3) 0.6619(2) 0.4919(2) 0.0476(11) Uani 1 1 d . . . A 21
H02N H 0.8217 0.6722 0.4506 0.057 Uiso 1 1 calc R . . A 21
C02O C 1.0153(4) 0.4688(3) 0.8606(2) 0.0527(12) Uani 1 1 d . . . A 21
C02P C 0.3544(4) -0.0654(2) 0.8404(3) 0.0498(12) Uani 1 1 d . . . A 21
C02Q C 0.6775(3) 0.8330(2) 0.5461(3) 0.0497(12) Uani 1 1 d . . . A 21
C02S C 0.4360(3) 0.8204(2) 0.5253(3) 0.0501(12) Uani 1 1 d . . . A 21
H02S H 0.3828 0.8017 0.4956 0.060 Uiso 1 1 calc R . . A 21
C02T C 0.8811(3) 0.7080(2) 0.5424(3) 0.0497(12) Uani 1 1 d . . . A 21
C02V C 0.3436(3) 0.7551(2) 0.6990(3) 0.0512(12) Uani 1 1 d . . . A 21
H02V H 0.3642 0.7438 0.7426 0.061 Uiso 1 1 calc R . . A 21
C02W C 0.8117(3) 0.7803(2) 0.5989(3) 0.0499(11) Uani 1 1 d . . . A 21
H02W H 0.8537 0.7688 0.6380 0.060 Uiso 1 1 calc R . . A 21
C2EA C 0.5944(10) 0.3514(11) 0.5554(8) 0.055(3) Uani 0.5 1 d D U P B 3
C02Y C 0.6200(4) 0.4004(3) 0.8699(3) 0.0606(14) Uani 1 1 d . . . A 21
H02Y H 0.5908 0.4389 0.8579 0.073 Uiso 1 1 calc R . . A 21
C02Z C 0.3659(4) 0.0022(2) 0.8490(3) 0.0531(12) Uani 1 1 d . . . A 21
H02Z H 0.3676 0.0219 0.8885 0.064 Uiso 1 1 calc R . . A 21
C030 C 0.9494(3) 0.6937(2) 0.5979(3) 0.0503(12) Uani 1 1 d . . . A 21
H030 H 0.9745 0.7263 0.6301 0.060 Uiso 1 1 calc R . . A 21
C031 C 1.0244(4) 0.4896(3) 0.9291(3) 0.0591(14) Uani 1 1 d . . . A 21
H03A H 0.9682 0.5055 0.9303 0.089 Uiso 1 1 calc GR . . A 21
H03B H 1.0716 0.5237 0.9440 0.089 Uiso 1 1 calc GR . . A 21
H03C H 1.0393 0.4530 0.9569 0.089 Uiso 1 1 calc GR . . A 21
C032 C 0.7012(4) 0.2884(3) 0.9030(2) 0.0570(13) Uani 1 1 d . . . A 21
H032 H 0.7300 0.2497 0.9151 0.068 Uiso 1 1 calc R . . A 21
C034 C 0.9594(4) -0.2435(3) 1.0084(3) 0.0565(13) Uani 1 1 d . . . A 21
H034 H 1.0026 -0.2086 1.0210 0.068 Uiso 1 1 calc R . . A 21
C035 C 1.0507(4) -0.2747(3) 0.8266(3) 0.0594(14) Uani 1 1 d . . . A 21
H03D H 1.0029 -0.2588 0.7901 0.071 Uiso 1 1 calc R . . A 21
H03E H 1.0770 -0.3095 0.8092 0.071 Uiso 1 1 calc R . . A 21
C036 C 1.1096(4) -0.2400(3) 0.9552(3) 0.0596(14) Uani 1 1 d . . . A 21
H036 H 1.1336 -0.2307 1.0000 0.071 Uiso 1 1 calc R . . A 21
C037 C 1.1171(3) -0.2244(3) 0.8483(3) 0.0538(12) Uani 1 1 d . . . A 21
C038 C 0.9708(4) -0.2925(3) 0.9682(3) 0.0581(13) Uani 1 1 d . . . A 21
C039 C 1.1498(4) -0.2119(3) 0.9141(3) 0.0577(13) Uani 1 1 d . . . A 21
H039 H 1.2008 -0.1835 0.9313 0.069 Uiso 1 1 calc R . . A 21
C03A C 1.0345(4) -0.2817(3) 0.9317(3) 0.0572(13) Uani 1 1 d . . . A 21
C03B C 0.6948(4) 0.3310(3) 0.9500(3) 0.0621(15) Uani 1 1 d . . . A 21
H03F H 0.7181 0.3205 0.9938 0.074 Uiso 1 1 calc R . . A 21
C03D C 0.3598(4) -0.1750(3) 0.8868(3) 0.0641(15) Uani 1 1 d . . . A 21
H03G H 0.3091 -0.1910 0.8527 0.077 Uiso 1 1 calc R . . A 21
C03E C 0.9100(4) -0.3457(3) 0.9558(3) 0.0631(14) Uani 1 1 d . . . A 21
H03H H 0.9185 -0.3818 0.9322 0.076 Uiso 1 1 calc R . . A 21
C03F C 0.3809(4) -0.1086(3) 0.8947(3) 0.0561(13) Uani 1 1 d . . . A 21
C03G C 0.6556(4) 0.3874(3) 0.9345(3) 0.0619(15) Uani 1 1 d . . . A 21
C03H C 0.8874(4) -0.2447(3) 1.0301(3) 0.0588(13) Uani 1 1 d . . . A 21
H03I H 0.8823 -0.2110 1.0578 0.071 Uiso 1 1 calc R . . A 21
C8CA C 0.5951(11) 0.3493(9) 0.4947(8) 0.059(3) Uani 0.5 1 d D U P B 3
C03K C 0.4123(4) -0.2175(3) 0.9282(4) 0.0696(17) Uani 1 1 d . . . A 21
H03K H 0.3966 -0.2621 0.9224 0.084 Uiso 1 1 calc R . . A 21
C03L C 0.8219(4) -0.2945(3) 1.0119(3) 0.0629(14) Uani 1 1 d . . . A 21
C03M C 0.6534(15) 0.6229(14) 0.4850(10) 0.061(3) Uani 0.5 1 d . U P B 3
C03N C 0.4451(4) -0.0879(3) 0.9512(3) 0.0663(15) Uani 1 1 d . . . A 21
H03N H 0.4534 -0.0435 0.9626 0.080 Uiso 1 1 calc R . . A 21
C03O C 1.0107(4) -0.3022(3) 0.8685(3) 0.0619(14) Uani 1 1 d . . . A 21
H03O H 0.9661 -0.3359 0.8532 0.074 Uiso 1 1 calc R . . A 21
C9CA C 0.7079(18) 0.4348(10) 0.5838(8) 0.063(3) Uani 0.5 1 d D U P B 3
C03Q C 0.4866(4) -0.1958(3) 0.9776(3) 0.0643(15) Uani 1 1 d . . . A 21
C03R C 0.8367(4) -0.3460(3) 0.9780(3) 0.0676(16) Uani 1 1 d . . . A 21
H03R H 0.7964 -0.3827 0.9694 0.081 Uiso 1 1 calc R . . A 21
C03T C 0.9952(5) 0.5274(3) 0.8193(3) 0.0726(18) Uani 1 1 d . . . A 21
H03J H 0.9843 0.5147 0.7744 0.109 Uiso 1 1 calc GR . . A 21
H03L H 1.0459 0.5589 0.8333 0.109 Uiso 1 1 calc GR . . A 21
H03M H 0.9424 0.5464 0.8238 0.109 Uiso 1 1 calc GR . . A 21
C03V C 0.731(2) 0.5403(11) 0.5546(11) 0.061(3) Uani 0.5 1 d . U P B 3
C03W C 0.7265(16) 0.4989(11) 0.6075(10) 0.061(3) Uani 0.5 1 d . U P B 3
C03X C 0.4974(5) -0.1303(4) 0.9913(3) 0.0770(18) Uani 1 1 d . . . A 21
H03X H 0.5419 -0.1145 1.0293 0.092 Uiso 1 1 calc R . . A 21
C03Y C 1.1045(4) 0.4441(3) 0.8591(3) 0.0682(17) Uani 1 1 d . . . A 21
H03P H 1.1193 0.4074 0.8868 0.102 Uiso 1 1 calc GR . . A 21
H03Q H 1.1515 0.4783 0.8744 0.102 Uiso 1 1 calc GR . . A 21
H03S H 1.0992 0.4310 0.8151 0.102 Uiso 1 1 calc GR . . A 21
C5FA C 0.4937(10) 0.6124(10) 0.6216(7) 0.059(4) Uani 0.5 1 d D U P B 3
C1EA C 0.6554(10) 0.3953(12) 0.6009(8) 0.062(4) Uani 0.5 1 d D U P B 3
C041 C 0.6972(14) 0.5991(11) 0.5479(10) 0.057(3) Uani 0.5 1 d . U P B 3
C0CA C 0.4624(14) 0.4816(9) 0.6513(11) 0.069(4) Uani 0.5 1 d D U P B 3
C043 C 0.5645(4) -0.2368(3) 1.0024(3) 0.0676(16) Uani 1 1 d . . . A 21
C4DA C 0.5239(10) 0.3893(13) 0.6249(11) 0.065(3) Uani 0.5 1 d D U P B 3
C3FA C 0.5449(14) 0.5134(11) 0.6723(13) 0.068(4) Uani 0.5 1 d D U P B 3
C2DA C 0.5623(13) 0.5803(11) 0.6552(10) 0.064(4) Uani 0.5 1 d D U P B 3
C047 C 0.7213(5) -0.2423(3) 1.0637(3) 0.0719(17) Uani 1 1 d . . . A 21
H047 H 0.7707 -0.2289 1.0999 0.086 Uiso 1 1 calc R . . A 21
C6EA C 0.6556(11) 0.3910(8) 0.4769(7) 0.062(3) Uani 0.5 1 d D U P B 3
C7CA C 0.6427(19) 0.5799(9) 0.4296(13) 0.064(4) Uani 0.5 1 d D U P B 3
C6BA C 0.6531(11) 0.6242(10) 0.5932(9) 0.064(4) Uani 0.5 1 d D U P B 3
C04D C 0.6564(5) -0.3113(3) 0.9706(4) 0.0790(19) Uani 1 1 d . . . A 21
H04D H 0.6613 -0.3453 0.9432 0.095 Uiso 1 1 calc R . . A 21
C5DA C 0.5129(10) 0.3475(13) 0.5704(9) 0.065(3) Uani 0.5 1 d D U P B 3
C9BA C 0.4508(13) 0.4188(11) 0.6232(13) 0.070(4) Uani 0.5 1 d D U P B 3
C04G C 0.7324(4) -0.2860(3) 1.0186(3) 0.0669(16) Uani 1 1 d . . . A 21
C04H C 0.5737(4) -0.2872(3) 0.9626(4) 0.0724(17) Uani 1 1 d . . . A 21
H04H H 0.5229 -0.3052 0.9298 0.087 Uiso 1 1 calc R . . A 21
C8FA C 0.3900(12) 0.5160(7) 0.6163(7) 0.061(3) Uani 0.5 1 d D U P B 3
C4GA C 0.6467(11) 0.5842(9) 0.6380(11) 0.066(4) Uani 0.5 1 d D U P B 3
C3EA C 0.7096(12) 0.4322(8) 0.5187(8) 0.061(3) Uani 0.5 1 d D U P B 3
C2FA C 0.6190(15) 0.4743(8) 0.6656(14) 0.062(3) Uani 0.5 1 d D U P B 3
C4EA C 0.7224(18) 0.5005(9) 0.5000(9) 0.064(4) Uani 0.5 1 d D U P B 3
C3DA C 0.6120(11) 0.4191(14) 0.6436(11) 0.064(4) Uani 0.5 1 d D U P B 3
C04P C 0.6386(5) -0.2182(4) 1.0562(3) 0.0761(19) Uani 1 1 d . . . A 21
H04P H 0.6322 -0.1889 1.0875 0.091 Uiso 1 1 calc R . . A 21
C6FA C 0.4999(9) 0.6541(9) 0.5704(7) 0.065(4) Uani 0.5 1 d D U P B 3
C7BA C 0.5801(9) 0.6599(9) 0.5576(7) 0.062(4) Uani 0.5 1 d D U P B 3
C5EA C 0.6805(13) 0.5175(7) 0.4406(9) 0.062(3) Uani 0.5 1 d D U P B 3
C8DA C 0.4368(11) 0.3408(11) 0.5275(8) 0.069(4) Uani 0.5 1 d D U P B 3
C4FA C 0.6814(13) 0.5171(8) 0.6436(11) 0.062(3) Uani 0.5 1 d D U P B 3
C9FA C 0.4040(10) 0.5798(8) 0.6007(7) 0.066(4) Uani 0.5 1 d D U P B 3
C1BA C 0.6456(4) 0.4337(3) 0.9865(3) 0.082(2) Uani 1 1 d D . . . .
C3BA C 0.6771(9) 0.4994(4) 0.9805(5) 0.101(4) Uani 0.740(10) 1 d D U P A 1
H3BA H 0.7398 0.5003 0.9834 0.152 Uiso 0.740(10) 1 calc GR . P A 1
H3BB H 0.6703 0.5265 1.0150 0.152 Uiso 0.740(10) 1 calc GR . P A 1
H3BC H 0.6421 0.5154 0.9390 0.152 Uiso 0.740(10) 1 calc GR . P A 1
C4BA C 0.5493(8) 0.4291(6) 0.9834(6) 0.109(4) Uani 0.740(10) 1 d D U P A 1
H4BA H 0.5151 0.4560 0.9494 0.164 Uiso 0.740(10) 1 calc GR . P A 1
H4BB H 0.5445 0.4437 1.0245 0.164 Uiso 0.740(10) 1 calc GR . P A 1
H4BC H 0.5257 0.3845 0.9742 0.164 Uiso 0.740(10) 1 calc GR . P A 1
C5BA C 0.5918(19) 0.4043(15) 1.0243(13) 0.094(6) Uani 0.260(10) 1 d D U P A 2
H5BA H 0.5286 0.4087 1.0017 0.141 Uiso 0.260(10) 1 calc GR . P A 2
H5BB H 0.6083 0.4260 1.0665 0.141 Uiso 0.260(10) 1 calc GR . P A 2
H5BC H 0.6031 0.3588 1.0296 0.141 Uiso 0.260(10) 1 calc GR . P A 2
C0AA C 0.6957(8) 0.4126(4) 1.0546(4) 0.087(3) Uani 0.740(10) 1 d D U P A 1
H0AA H 0.6616 0.3770 1.0659 0.131 Uiso 0.740(10) 1 calc GR . P A 1
H0AB H 0.7033 0.4486 1.0852 0.131 Uiso 0.740(10) 1 calc GR . P A 1
H0AC H 0.7541 0.3987 1.0560 0.131 Uiso 0.740(10) 1 calc GR . P A 1
C6DA C 0.596(2) 0.4905(13) 0.9477(13) 0.104(7) Uani 0.260(10) 1 d D U P A 2
H6DA H 0.6349 0.5126 0.9268 0.156 Uiso 0.260(10) 1 calc GR . P A 2
H6DB H 0.5822 0.5206 0.9769 0.156 Uiso 0.260(10) 1 calc GR . P A 2
H6DC H 0.5415 0.4737 0.9152 0.156 Uiso 0.260(10) 1 calc GR . P A 2
C1FA C 0.7371(19) 0.4602(14) 1.0274(13) 0.112(7) Uani 0.260(10) 1 d D U P A 2
H1FA H 0.7709 0.4254 1.0507 0.090 Uiso 0.260(10) 1 calc GR . P A 2
H1FB H 0.7312 0.4927 1.0580 0.168 Uiso 0.260(10) 1 calc GR . P A 2
H1FC H 0.7683 0.4796 0.9998 0.168 Uiso 0.260(10) 1 calc GR . P A 2
Cl1 Cl 0.94756(12) 0.15824(12) 0.50142(9) 0.0932(6) Uani 1 1 d . . . C 5
Cl0A Cl 0.70212(13) -0.00318(8) 0.75054(9) 0.0816(5) Uani 1 1 d . . . D 5
C2BA C 1.0951(4) 0.0971(3) 0.5583(3) 0.0578(13) Uani 1 1 d . . . C 5
H2BA H 1.0740 0.0662 0.5240 0.069 Uiso 1 1 calc R . . C 5
C1AA C 1.0468(4) 0.1493(3) 0.5612(3) 0.0596(15) Uani 1 1 d . . . C 5
C4AA C 1.0752(5) 0.1934(3) 0.6113(3) 0.0680(17) Uani 1 1 d . . . C 5
H4AA H 1.0410 0.2288 0.6129 0.082 Uiso 1 1 calc R . . C 5
C2AA C 1.2046(4) 0.1344(3) 0.6565(3) 0.0680(16) Uani 1 1 d . . . C 5
H2AA H 1.2595 0.1296 0.6892 0.082 Uiso 1 1 calc R . . C 5
C3AA C 1.1545(5) 0.1854(3) 0.6595(3) 0.0722(17) Uani 1 1 d . . . C 5
H3AA H 1.1744 0.2152 0.6948 0.087 Uiso 1 1 calc R . . C 5
C8 C 1.1748(4) 0.0909(3) 0.6063(3) 0.0634(16) Uani 1 1 d . . . C 5
H8 H 1.2095 0.0559 0.6044 0.076 Uiso 1 1 calc R . . C 5
C8AA C 0.8997(4) -0.1190(4) 0.7750(3) 0.0736(18) Uani 1 1 d . . . D 5
H8AA H 0.9312 -0.1371 0.7496 0.088 Uiso 1 1 calc R . . D 5
C6AA C 0.7879(4) -0.0537(3) 0.7844(3) 0.0637(14) Uani 1 1 d . . . D 5
C7AA C 0.8354(4) -0.0758(3) 0.7478(3) 0.0697(17) Uani 1 1 d . . . D 5
H7AA H 0.8252 -0.0622 0.7052 0.084 Uiso 1 1 calc R . . D 5
C9AA C 0.9184(5) -0.1358(4) 0.8374(4) 0.0798(19) Uani 1 1 d . . . D 5
H9AA H 0.9640 -0.1640 0.8557 0.096 Uiso 1 1 calc R . . D 5
C5AA C 0.8047(4) -0.0691(3) 0.8475(3) 0.0663(15) Uani 1 1 d . . . D 5
H5AA H 0.7725 -0.0513 0.8725 0.080 Uiso 1 1 calc R . . D 5
C0BA C 0.8701(5) -0.1116(4) 0.8736(4) 0.081(2) Uani 1 1 d . . . D 5
H0BA H 0.8817 -0.1240 0.9166 0.097 Uiso 1 1 calc R . . D 5
C9EA C 0.4155(11) 0.6477(13) 0.4543(7) 0.063(4) Uani 0.5 1 d D U P B 3
C0FA C 0.4158(10) 0.6468(10) 0.5180(7) 0.064(4) Uani 0.5 1 d D U P B 3
C9DA C 0.3586(13) 0.3749(14) 0.5284(8) 0.064(4) Uani 0.5 1 d D U P B 3
C3CA C 0.293(2) 0.5580(9) 0.4255(9) 0.069(4) Uani 0.5 1 d D U P B 3
C2GA C 0.2707(19) 0.4523(9) 0.4526(10) 0.067(4) Uani 0.5 1 d D U P B 3
C1GA C 0.2798(18) 0.4919(9) 0.4017(9) 0.068(4) Uani 0.5 1 d D U P B 3
C1DA C 0.5194(11) 0.3818(10) 0.3905(8) 0.057(3) Uani 0.5 1 d D U P B 3
C140 C 0.3604(14) 0.6033(14) 0.4057(11) 0.068(4) Uani 0.5 1 d . U P B 3
C0EA C 0.3097(14) 0.3907(10) 0.4630(8) 0.062(4) Uani 0.5 1 d D U P B 3
C5CA C 0.5415(11) 0.5052(8) 0.3536(10) 0.058(3) Uani 0.5 1 d D U P B 3
C1 C 0.4949(13) 0.6115(13) 0.3804(12) 0.069(4) Uani 0.5 1 d D U P B 3
C6CA C 0.4539(11) 0.4782(10) 0.3350(11) 0.053(3) Uani 0.5 1 d D U P B 3
C3 C 0.4450(12) 0.4147(11) 0.3551(10) 0.058(3) Uani 0.5 1 d D U P B 3
C6 C 0.3574(10) 0.6010(8) 0.5383(7) 0.066(4) Uani 0.5 1 d D U P B 3
C8BA C 0.3651(16) 0.4130(9) 0.5766(14) 0.068(4) Uani 0.5 1 d D U P B 3
C0GA C 0.3586(11) 0.3686(8) 0.4212(7) 0.059(3) Uani 0.5 1 d D U P B 3
C7EA C 0.5010(11) 0.6559(14) 0.4414(7) 0.071(4) Uani 0.5 1 d D U P B 3
C2 C 0.5612(14) 0.5739(10) 0.3728(12) 0.070(4) Uani 0.5 1 d D U P B 3
C1CA C 0.6171(13) 0.4701(7) 0.3926(8) 0.063(3) Uani 0.5 1 d D U P B 3
C4 C 0.3642(11) 0.4066(8) 0.3688(9) 0.057(3) Uani 0.5 1 d D U P B 3
C2CA C 0.2984(14) 0.5581(8) 0.4920(8) 0.070(4) Uani 0.5 1 d D U P B 3
C5GA C 0.3791(15) 0.5108(8) 0.3370(13) 0.059(3) Uani 0.5 1 d D U P B 3
C3GA C 0.2836(17) 0.4939(8) 0.5087(8) 0.069(4) Uani 0.5 1 d D U P B 3
C14O C 0.4056(14) 0.5819(16) 0.3617(13) 0.068(4) Uani 0.5 1 d . U P B 3
C8EA C 0.5157(12) 0.3432(10) 0.4415(8) 0.063(3) Uani 0.5 1 d D U P B 3
C7DA C 0.4362(10) 0.3381(10) 0.4601(7) 0.062(3) Uani 0.5 1 d D U P B 3
C7FA C 0.3293(13) 0.4732(7) 0.5706(10) 0.067(4) Uani 0.5 1 d D U P B 3
C0DA C 0.5807(9) 0.6602(11) 0.4913(7) 0.064(4) Uani 0.5 1 d D U P B 3
C5 C 0.3209(13) 0.4662(8) 0.3564(11) 0.066(4) Uani 0.5 1 d D U P B 3
C4CA C 0.6066(11) 0.4104(9) 0.4091(8) 0.065(3) Uani 0.5 1 d D U P B 3


_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
C006 C00D 1.385(6) . ?
C006 C00E 1.396(6) . ?
C006 C00L 1.506(6) . ?
C007 C00G 1.384(6) . ?
C007 C00K 1.484(6) . ?
C007 C011 1.411(6) . ?
C008 C009 1.411(6) . ?
C008 C00L 1.432(6) . ?
C008 C00M 1.466(6) . ?
C009 C00B 1.470(6) . ?
C009 C00O 1.415(6) . ?
C00A C00B 1.405(6) . ?
C00A C00F 1.463(6) . ?
C00A C00W 1.410(6) . ?
C00B C00U 1.388(6) . ?
C00C C00O 1.403(6) . ?
C00C C00V 1.421(6) . ?
C00C C01E 1.490(6) . ?
C00D C00Q 1.387(6) . ?
C00E C01M 1.382(6) . ?
C00F C00M 1.414(6) . ?
C00F C01D 1.408(6) . ?
C00G C00M 1.397(6) . ?
C00H C019 1.400(6) . ?
C00H C01A 1.406(6) . ?
C00H C02D 1.475(6) . ?
C00I C00N 1.388(6) . ?
C00I C00P 1.388(6) . ?
C00J C018 1.388(6) . ?
C00J C01T 1.378(7) . ?
C00K C00R 1.408(6) . ?
C00K C012 1.405(6) . ?
C00L C00V 1.394(6) . ?
C00N C00S 1.395(6) . ?
C00N C018 1.483(6) . ?
C00O C00T 1.507(6) . ?
C00P C00T 1.390(6) . ?
C00Q C014 1.393(7) . ?
C00R C01A 1.381(6) . ?
C00S C00Z 1.388(6) . ?
C00T C00Z 1.386(6) . ?
C00U C017 1.397(6) . ?
C00V C013 1.485(6) . ?
C00W C01Q 1.376(6) . ?
C00X C017 1.483(6) . ?
C00X C01Y 1.383(7) . ?
C00X C022 1.392(7) . ?
C00Y C013 1.392(7) . ?
C00Y C01L 1.389(7) . ?
C010 C013 1.391(6) . ?
C010 C01S 1.383(7) . ?
C011 C01D 1.359(6) . ?
C012 C019 1.371(7) . ?
C014 C015 1.480(7) . ?
C014 C01M 1.402(6) . ?
C015 C01B 1.381(7) . ?
C015 C01K 1.412(6) . ?
C016 C02A 1.399(7) . ?
C016 C02D 1.406(6) . ?
C017 C01Q 1.398(6) . ?
C018 C01J 1.407(7) . ?
C01B C01G 1.404(7) . ?
C01C C01H 1.476(6) . ?
C01C C01T 1.397(7) . ?
C01C C01W 1.405(7) . ?
C01E C023 1.377(7) . ?
C01E C032 1.374(7) . ?
C01F C01L 1.388(7) . ?
C01F C01S 1.399(7) . ?
C01F C02O 1.522(7) . ?
C01G C01V 1.388(7) . ?
C01H C024 1.436(6) . ?
C01H C02B 1.369(7) . ?
C01I C01N 1.489(7) . ?
C01I C01X 1.391(8) . ?
C01I C026 1.396(7) . ?
C01J C01W 1.380(6) . ?
C01K C01R 1.383(7) . ?
C01N C02K 1.403(8) . ?
C01N C02V 1.387(7) . ?
C01O C01V 1.482(7) . ?
C01O C028 1.402(7) . ?
C01O C02H 1.398(7) . ?
C01P C02D 1.387(7) . ?
C01P C02G 1.377(7) . ?
C01R C01V 1.388(7) . ?
C01U C021 1.393(8) . ?
C01U C02T 1.491(7) . ?
C01U C02W 1.377(7) . ?
C01X C024 1.376(7) . ?
C01Y C02E 1.388(8) . ?
C01Z C020 1.404(7) . ?
C01Z C029 1.488(7) . ?
C01Z C02I 1.389(8) . ?
C020 C02K 1.386(7) . ?
C021 C02M 1.389(8) . ?
C022 C02Z 1.397(7) . ?
C023 C02Y 1.384(7) . ?
C025 C02A 1.393(8) . ?
C025 C02G 1.397(7) . ?
C025 C037 1.490(8) . ?
C026 C02B 1.389(7) . ?
C027 C02F 1.403(7) . ?
C027 C02J 1.397(8) . ?
C027 C02Q 1.477(7) . ?
C028 C030 1.378(7) . ?
C029 C02C 1.412(7) . ?
C029 C02S 1.392(8) . ?
C02C C02J 1.378(8) . ?
C02E C02P 1.375(7) . ?
C02F C02S 1.368(8) . ?
C02H C02N 1.372(7) . ?
C02I C02V 1.399(8) . ?
C02L C02Q 1.380(8) . ?
C02L C02W 1.382(7) . ?
C02M C02Q 1.420(8) . ?
C02N C02T 1.406(7) . ?
C02O C031 1.524(7) . ?
C02O C03T 1.524(8) . ?
C02O C03Y 1.548(9) . ?
C02P C02Z 1.419(7) . ?
C02P C03F 1.477(8) . ?
C02T C030 1.402(8) . ?
C2EA C8CA 1.341(18) . ?
C2EA C1EA 1.432(15) . ?
C2EA C5DA 1.438(15) . ?
C2EA C9EA 0.22(3) 2_666 ?
C2EA C0FA 1.57(3) 2_666 ?
C2EA C140 1.29(3) 2_666 ?
C2EA C7EA 1.54(3) 2_666 ?
C02Y C03G 1.392(9) . ?
C032 C03B 1.390(8) . ?
C034 C038 1.402(9) . ?
C034 C03H 1.376(8) . ?
C035 C037 1.414(8) . ?
C035 C03O 1.395(9) . ?
C036 C039 1.387(8) . ?
C036 C03A 1.392(8) . ?
C037 C039 1.392(8) . ?
C038 C03A 1.493(8) . ?
C038 C03E 1.400(8) . ?
C03A C03O 1.377(9) . ?
C03B C03G 1.361(9) . ?
C03D C03F 1.407(8) . ?
C03D C03K 1.392(9) . ?
C03E C03R 1.403(9) . ?
C03F C03N 1.381(9) . ?
C03G C1BA 1.543(8) . ?
C03H C03L 1.393(8) . ?
C8CA C6EA 1.418(18) . ?
C8CA C6FA 1.72(2) 2_666 ?
C8CA C9EA 1.19(3) 2_666 ?
C8CA C0FA 0.29(3) 2_666 ?
C8CA C6 1.57(3) 2_666 ?
C8CA C8EA 1.421(19) . ?
C03K C03Q 1.377(9) . ?
C03L C03R 1.377(9) . ?
C03L C04G 1.498(9) . ?
C03M C041 1.45(2) . ?
C03M C7CA 1.47(3) . ?
C03M C8DA 1.61(3) 2_666 ?
C03M C9DA 0.30(3) 2_666 ?
C03M C0EA 1.15(3) 2_666 ?
C03M C8BA 1.48(4) 2_666 ?
C03M C0DA 1.47(2) . ?
C03N C03X 1.376(10) . ?
C9CA C03W 1.41(2) . ?
C9CA C1EA 1.29(2) . ?
C9CA C3EA 1.445(19) . ?
C9CA C3CA 0.25(3) 2_666 ?
C9CA C1GA 1.55(4) 2_666 ?
C9CA C140 1.40(4) 2_666 ?
C9CA C2CA 1.65(3) 2_666 ?
C03Q C03X 1.389(10) . ?
C03Q C043 1.505(9) . ?
C03V C03W 1.48(2) . ?
C03V C041 1.36(3) . ?
C03V C4EA 1.42(2) . ?
C03V C2GA 0.22(4) 2_666 ?
C03V C1GA 1.24(3) 2_666 ?
C03V C0EA 1.62(3) 2_666 ?
C03V C3GA 1.50(4) 2_666 ?
C03W C4FA 1.30(3) . ?
C03W C3CA 1.35(4) 2_666 ?
C03W C2GA 1.69(3) 2_666 ?
C03W C1GA 0.28(3) 2_666 ?
C03W C5 1.47(3) 2_666 ?
C5FA C2DA 1.329(19) . ?
C5FA C6FA 1.460(12) . ?
C5FA C9FA 1.478(13) . ?
C5FA C1DA 0.31(2) 2_666 ?
C5FA C3 1.13(3) 2_666 ?
C5FA C8EA 1.65(3) 2_666 ?
C5FA C4CA 1.57(3) 2_666 ?
C1EA C3DA 1.431(17) . ?
C1EA C9EA 1.60(3) 2_666 ?
C1EA C3CA 1.48(3) 2_666 ?
C1EA C140 0.25(3) 2_666 ?
C1EA C14O 1.55(4) 2_666 ?
C041 C6BA 1.50(2) . ?
C041 C9DA 1.74(3) 2_666 ?
C041 C2GA 1.22(3) 2_666 ?
C041 C0EA 0.32(3) 2_666 ?
C041 C0GA 1.46(3) 2_666 ?
C0CA C3FA 1.38(2) . ?
C0CA C9BA 1.421(16) . ?
C0CA C8FA 1.407(15) . ?
C0CA C5CA 0.30(3) 2_666 ?
C0CA C6CA 1.48(3) 2_666 ?
C0CA C2 1.26(3) 2_666 ?
C0CA C1CA 1.72(3) 2_666 ?
C043 C04H 1.407(10) . ?
C043 C04P 1.411(10) . ?
C4DA C5DA 1.434(17) . ?
C4DA C9BA 1.34(2) . ?
C4DA C3DA 1.435(16) . ?
C4DA C1 0.28(3) 2_666 ?
C4DA C7EA 1.65(3) 2_666 ?
C4DA C2 1.61(3) 2_666 ?
C4DA C14O 1.19(4) 2_666 ?
C3FA C2DA 1.490(15) . ?
C3FA C2FA 1.515(15) . ?
C3FA C5CA 1.34(3) 2_666 ?
C3FA C6CA 0.25(4) 2_666 ?
C3FA C3 1.65(4) 2_666 ?
C3FA C5GA 1.41(4) 2_666 ?
C2DA C4GA 1.506(13) . ?
C2DA C1DA 1.62(3) 2_666 ?
C2DA C6CA 1.27(4) 2_666 ?
C2DA C3 0.25(3) 2_666 ?
C2DA C4 1.45(3) 2_666 ?
C047 C04G 1.400(10) . ?
C047 C04P 1.396(10) . ?
C6EA C3EA 1.313(18) . ?
C6EA C9FA 1.80(2) 2_666 ?
C6EA C0FA 1.39(3) 2_666 ?
C6EA C6 0.38(2) 2_666 ?
C6EA C2CA 1.31(3) 2_666 ?
C6EA C4CA 1.521(16) . ?
C7CA C9BA 1.57(4) 2_666 ?
C7CA C5EA 1.458(15) . ?
C7CA C9DA 1.32(4) 2_666 ?
C7CA C8BA 0.22(4) 2_666 ?
C7CA C2 1.486(15) . ?
C7CA C7FA 1.22(3) 2_666 ?
C6BA C4GA 1.33(2) . ?
C6BA C7BA 1.432(16) . ?
C6BA C0EA 1.57(3) 2_666 ?
C6BA C0GA 0.35(2) 2_666 ?
C6BA C4 1.16(3) 2_666 ?
C6BA C7DA 1.76(2) 2_666 ?
C04D C04G 1.399(10) . ?
C04D C04H 1.394(10) . ?
C5DA C8DA 1.27(2) . ?
C5DA C9EA 1.41(3) 2_666 ?
C5DA C1 1.41(4) 2_666 ?
C5DA C7EA 0.29(3) 2_666 ?
C5DA C0DA 1.66(2) 2_666 ?
C9BA C7CA 1.57(4) 2_666 ?
C9BA C5CA 1.65(3) 2_666 ?
C9BA C1 1.12(3) 2_666 ?
C9BA C8BA 1.419(15) . ?
C9BA C2 0.29(4) 2_666 ?
C8FA C5EA 1.52(3) 2_666 ?
C8FA C9FA 1.406(18) . ?
C8FA C5CA 1.19(3) 2_666 ?
C8FA C1CA 0.35(2) 2_666 ?
C8FA C7FA 1.417(8) . ?
C8FA C4CA 1.65(3) 2_666 ?
C4GA C4FA 1.528(15) . ?
C4GA C3 1.52(3) 2_666 ?
C4GA C0GA 1.63(2) 2_666 ?
C4GA C4 0.28(3) 2_666 ?
C4GA C5 1.19(3) 2_666 ?
C3EA C4EA 1.514(17) . ?
C3EA C3CA 1.26(3) 2_666 ?
C3EA C6 1.50(3) 2_666 ?
C3EA C2CA 0.31(3) 2_666 ?
C3EA C3GA 1.68(3) 2_666 ?
C2FA C3DA 1.23(3) . ?
C2FA C4FA 1.502(14) . ?
C2FA C6CA 1.56(4) 2_666 ?
C2FA C5GA 0.32(3) 2_666 ?
C2FA C14O 1.30(4) 2_666 ?
C2FA C5 1.70(3) 2_666 ?
C4EA C5EA 1.33(2) . ?
C4EA C2GA 1.40(4) 2_666 ?
C4EA C2CA 1.28(3) 2_666 ?
C4EA C3GA 0.22(3) 2_666 ?
C4EA C7FA 1.63(3) 2_666 ?
C3DA C140 1.38(4) 2_666 ?
C3DA C1 1.70(3) 2_666 ?
C3DA C5GA 1.51(3) 2_666 ?
C3DA C14O 0.27(3) 2_666 ?
C6FA C8CA 1.72(2) 2_666 ?
C6FA C7BA 1.393(9) . ?
C6FA C0FA 1.462(12) . ?
C6FA C1DA 1.25(3) 2_666 ?
C6FA C8EA 0.31(2) 2_666 ?
C6FA C7DA 1.39(3) 2_666 ?
C7BA C8DA 1.81(2) 2_666 ?
C7BA C0GA 1.14(2) 2_666 ?
C7BA C8EA 1.53(3) 2_666 ?
C7BA C7DA 0.40(2) 2_666 ?
C7BA C0DA 1.465(17) . ?
C5EA C8FA 1.52(3) 2_666 ?
C5EA C8BA 1.66(3) 2_666 ?
C5EA C1CA 1.516(13) . ?
C5EA C3GA 1.12(3) 2_666 ?
C5EA C7FA 0.32(3) 2_666 ?
C8DA C03M 1.61(3) 2_666 ?
C8DA C7BA 1.81(2) 2_666 ?
C8DA C9DA 1.474(16) . ?
C8DA C7EA 1.01(2) 2_666 ?
C8DA C7DA 1.484(15) . ?
C8DA C0DA 0.42(2) 2_666 ?
C4FA C1GA 1.35(3) 2_666 ?
C4FA C4 1.78(3) 2_666 ?
C4FA C5GA 1.29(3) 2_666 ?
C4FA C5 0.35(3) 2_666 ?
C9FA C6EA 1.80(2) 2_666 ?
C9FA C1DA 1.38(3) 2_666 ?
C9FA C6 1.428(8) . ?
C9FA C1CA 1.11(3) 2_666 ?
C9FA C4CA 0.31(3) 2_666 ?
C1BA C3BA 1.460(10) . ?
C1BA C4BA 1.511(11) . ?
C1BA C5BA 1.49(2) . ?
C1BA C0AA 1.541(10) . ?
C1BA C6DA 1.57(2) . ?
C1BA C1FA 1.52(2) . ?
Cl1 C1AA 1.725(6) . ?
Cl0A C6AA 1.751(7) . ?
C2BA C1AA 1.380(8) . ?
C2BA C8 1.382(9) . ?
C1AA C4AA 1.372(9) . ?
C4AA C3AA 1.386(10) . ?
C2AA C3AA 1.379(10) . ?
C2AA C8 1.366(10) . ?
C8AA C7AA 1.395(10) . ?
C8AA C9AA 1.367(10) . ?
C6AA C7AA 1.362(9) . ?
C6AA C5AA 1.378(9) . ?
C9AA C0BA 1.380(10) . ?
C5AA C0BA 1.391(9) . ?
C9EA C2EA 0.22(3) 2_666 ?
C9EA C8CA 1.19(3) 2_666 ?
C9EA C1EA 1.60(3) 2_666 ?
C9EA C5DA 1.41(3) 2_666 ?
C9EA C0FA 1.403(9) . ?
C9EA C140 1.44(2) . ?
C9EA C7EA 1.480(19) . ?
C0FA C2EA 1.57(3) 2_666 ?
C0FA C8CA 0.29(3) 2_666 ?
C0FA C6EA 1.39(3) 2_666 ?
C0FA C6 1.472(14) . ?
C0FA C8EA 1.17(3) 2_666 ?
C9DA C03M 0.30(3) 2_666 ?
C9DA C041 1.74(3) 2_666 ?
C9DA C7CA 1.32(4) 2_666 ?
C9DA C0EA 1.454(15) . ?
C9DA C8BA 1.29(3) . ?
C9DA C0DA 1.41(3) 2_666 ?
C3CA C9CA 0.25(3) 2_666 ?
C3CA C03W 1.35(4) 2_666 ?
C3CA C1EA 1.48(3) 2_666 ?
C3CA C3EA 1.26(3) 2_666 ?
C3CA C1GA 1.451(16) . ?
C3CA C140 1.56(3) . ?
C3CA C2CA 1.442(16) . ?
C2GA C03V 0.22(4) 2_666 ?
C2GA C03W 1.69(3) 2_666 ?
C2GA C041 1.22(3) 2_666 ?
C2GA C4EA 1.40(4) 2_666 ?
C2GA C1GA 1.444(15) . ?
C2GA C0EA 1.45(2) . ?
C2GA C3GA 1.455(17) . ?
C1GA C9CA 1.55(4) 2_666 ?
C1GA C03V 1.24(3) 2_666 ?
C1GA C03W 0.28(3) 2_666 ?
C1GA C4FA 1.35(3) 2_666 ?
C1GA C5 1.47(2) . ?
C1DA C5FA 0.31(2) 2_666 ?
C1DA C2DA 1.62(3) 2_666 ?
C1DA C6FA 1.25(3) 2_666 ?
C1DA C9FA 1.38(3) 2_666 ?
C1DA C3 1.41(2) . ?
C1DA C8EA 1.408(9) . ?
C1DA C4CA 1.413(9) . ?
C140 C2EA 1.29(3) 2_666 ?
C140 C9CA 1.40(4) 2_666 ?
C140 C1EA 0.25(3) 2_666 ?
C140 C3DA 1.38(4) 2_666 ?
C140 C14O 1.46(3) . ?
C0EA C03M 1.15(3) 2_666 ?
C0EA C03V 1.62(3) 2_666 ?
C0EA C041 0.32(3) 2_666 ?
C0EA C6BA 1.57(3) 2_666 ?
C0EA C0GA 1.467(14) . ?
C5CA C0CA 0.30(3) 2_666 ?
C5CA C3FA 1.34(3) 2_666 ?
C5CA C9BA 1.65(3) 2_666 ?
C5CA C8FA 1.19(3) 2_666 ?
C5CA C6CA 1.407(10) . ?
C5CA C2 1.482(16) . ?
C5CA C1CA 1.476(14) . ?
C1 C4DA 0.28(3) 2_666 ?
C1 C5DA 1.41(4) 2_666 ?
C1 C9BA 1.12(3) 2_666 ?
C1 C3DA 1.70(3) 2_666 ?
C1 C7EA 1.60(3) . ?
C1 C2 1.400(10) . ?
C1 C14O 1.45(3) . ?
C6CA C0CA 1.48(3) 2_666 ?
C6CA C3FA 0.25(4) 2_666 ?
C6CA C2DA 1.27(4) 2_666 ?
C6CA C2FA 1.56(4) 2_666 ?
C6CA C3 1.419(14) . ?
C6CA C5GA 1.416(8) . ?
C3 C5FA 1.13(3) 2_666 ?
C3 C3FA 1.65(4) 2_666 ?
C3 C2DA 0.25(3) 2_666 ?
C3 C4GA 1.52(3) 2_666 ?
C3 C4 1.416(8) . ?
C6 C8CA 1.57(3) 2_666 ?
C6 C6EA 0.38(2) 2_666 ?
C6 C3EA 1.50(3) 2_666 ?
C6 C2CA 1.415(18) . ?
C6 C4CA 1.15(2) 2_666 ?
C8BA C03M 1.48(4) 2_666 ?
C8BA C7CA 0.22(4) 2_666 ?
C8BA C5EA 1.66(3) 2_666 ?
C8BA C2 1.35(4) 2_666 ?
C8BA C7FA 1.401(16) . ?
C0GA C041 1.46(3) 2_666 ?
C0GA C6BA 0.35(2) 2_666 ?
C0GA C4GA 1.63(2) 2_666 ?
C0GA C7BA 1.14(2) 2_666 ?
C0GA C4 1.435(19) . ?
C0GA C7DA 1.447(14) . ?
C0GA C0DA 1.98(2) 2_666 ?
C7EA C2EA 1.54(3) 2_666 ?
C7EA C4DA 1.65(3) 2_666 ?
C7EA C5DA 0.29(3) 2_666 ?
C7EA C8DA 1.01(2) 2_666 ?
C7EA C0DA 1.385(9) . ?
C2 C0CA 1.26(3) 2_666 ?
C2 C4DA 1.61(3) 2_666 ?
C2 C9BA 0.29(4) 2_666 ?
C2 C8BA 1.35(4) 2_666 ?
C1CA C0CA 1.72(3) 2_666 ?
C1CA C8FA 0.35(2) 2_666 ?
C1CA C9FA 1.11(3) 2_666 ?
C1CA C7FA 1.49(3) 2_666 ?
C1CA C4CA 1.322(19) . ?
C4 C2DA 1.45(3) 2_666 ?
C4 C6BA 1.16(3) 2_666 ?
C4 C4GA 0.28(3) 2_666 ?
C4 C4FA 1.78(3) 2_666 ?
C4 C5 1.444(13) . ?
C2CA C9CA 1.65(3) 2_666 ?
C2CA C6EA 1.31(3) 2_666 ?
C2CA C3EA 0.31(3) 2_666 ?
C2CA C4EA 1.28(3) 2_666 ?
C2CA C3GA 1.424(9) . ?
C5GA C3FA 1.41(4) 2_666 ?
C5GA C2FA 0.32(3) 2_666 ?
C5GA C3DA 1.51(3) 2_666 ?
C5GA C4FA 1.29(3) 2_666 ?
C5GA C14O 1.57(4) . ?
C5GA C5 1.445(14) . ?
C3GA C03V 1.50(4) 2_666 ?
C3GA C3EA 1.68(3) 2_666 ?
C3GA C4EA 0.22(3) 2_666 ?
C3GA C5EA 1.12(3) 2_666 ?
C3GA C7FA 1.413(19) . ?
C14O C1EA 1.55(4) 2_666 ?
C14O C4DA 1.19(4) 2_666 ?
C14O C2FA 1.30(4) 2_666 ?
C14O C3DA 0.27(3) 2_666 ?
C8EA C5FA 1.65(3) 2_666 ?
C8EA C6FA 0.31(2) 2_666 ?
C8EA C7BA 1.53(3) 2_666 ?
C8EA C0FA 1.17(3) 2_666 ?
C8EA C7DA 1.45(2) . ?
C7DA C6BA 1.76(2) 2_666 ?
C7DA C6FA 1.39(3) 2_666 ?
C7DA C7BA 0.40(2) 2_666 ?
C7DA C0DA 1.19(3) 2_666 ?
C7FA C7CA 1.22(3) 2_666 ?
C7FA C4EA 1.63(3) 2_666 ?
C7FA C5EA 0.32(3) 2_666 ?
C7FA C1CA 1.49(3) 2_666 ?
C0DA C5DA 1.66(2) 2_666 ?
C0DA C8DA 0.42(2) 2_666 ?
C0DA C9DA 1.41(3) 2_666 ?
C0DA C0GA 1.98(2) 2_666 ?
C0DA C7DA 1.19(3) 2_666 ?
C5 C03W 1.47(3) 2_666 ?
C5 C4GA 1.19(3) 2_666 ?
C5 C2FA 1.70(3) 2_666 ?
C5 C4FA 0.35(3) 2_666 ?
C4CA C5FA 1.57(3) 2_666 ?
C4CA C8FA 1.65(3) 2_666 ?
C4CA C9FA 0.31(3) 2_666 ?
C4CA C6 1.15(2) 2_666 ?

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
C00D C006 C00E 118.1(4) . . ?
C00D C006 C00L 123.9(4) . . ?
C00E C006 C00L 116.3(4) . . ?
C00G C007 C00K 120.1(4) . . ?
C00G C007 C011 116.8(4) . . ?
C011 C007 C00K 122.1(4) . . ?
C009 C008 C00L 119.4(4) . . ?
C009 C008 C00M 119.3(4) . . ?
C00L C008 C00M 121.3(4) . . ?
C008 C009 C00B 119.1(4) . . ?
C008 C009 C00O 120.3(4) . . ?
C00O C009 C00B 120.6(4) . . ?
C00B C00A C00F 119.3(4) . . ?
C00B C00A C00W 117.2(4) . . ?
C00W C00A C00F 122.7(4) . . ?
C00A C00B C009 119.1(4) . . ?
C00U C00B C009 121.1(4) . . ?
C00U C00B C00A 119.5(4) . . ?
C00O C00C C00V 120.0(4) . . ?
C00O C00C C01E 121.2(4) . . ?
C00V C00C C01E 118.4(4) . . ?
C006 C00D C00Q 120.5(4) . . ?
C01M C00E C006 120.9(4) . . ?
C00M C00F C00A 119.3(4) . . ?
C01D C00F C00A 122.4(4) . . ?
C01D C00F C00M 117.0(4) . . ?
C007 C00G C00M 123.3(4) . . ?
C019 C00H C01A 116.7(4) . . ?
C019 C00H C02D 119.0(4) . . ?
C01A C00H C02D 122.1(4) . . ?
C00P C00I C00N 121.9(4) . . ?
C01T C00J C018 121.8(5) . . ?
C00R C00K C007 121.9(4) . . ?
C012 C00K C007 120.6(4) . . ?
C012 C00K C00R 116.1(4) . . ?
C008 C00L C006 122.8(4) . . ?
C00V C00L C006 116.0(4) . . ?
C00V C00L C008 119.5(4) . . ?
C00F C00M C008 119.1(4) . . ?
C00G C00M C008 122.1(4) . . ?
C00G C00M C00F 118.5(4) . . ?
C00I C00N C00S 117.4(4) . . ?
C00I C00N C018 123.2(4) . . ?
C00S C00N C018 118.3(4) . . ?
C009 C00O C00T 121.9(4) . . ?
C00C C00O C009 119.3(4) . . ?
C00C C00O C00T 116.7(4) . . ?
C00I C00P C00T 119.6(4) . . ?
C00D C00Q C014 120.7(4) . . ?
C01A C00R C00K 121.4(4) . . ?
C00Z C00S C00N 120.8(4) . . ?
C00P C00T C00O 124.5(4) . . ?
C00Z C00T C00O 115.7(4) . . ?
C00Z C00T C00P 118.7(4) . . ?
C00B C00U C017 122.4(4) . . ?
C00C C00V C013 117.5(4) . . ?
C00L C00V C00C 120.3(4) . . ?
C00L C00V C013 121.5(4) . . ?
C01Q C00W C00A 120.9(4) . . ?
C01Y C00X C017 119.5(4) . . ?
C01Y C00X C022 116.9(4) . . ?
C022 C00X C017 122.5(4) . . ?
C01L C00Y C013 121.4(4) . . ?
C00T C00Z C00S 120.6(4) . . ?
C01S C010 C013 121.3(4) . . ?
C01D C011 C007 120.5(4) . . ?
C019 C012 C00K 121.8(4) . . ?
C00Y C013 C00V 119.8(4) . . ?
C010 C013 C00V 122.9(4) . . ?
C010 C013 C00Y 117.3(4) . . ?
C00Q C014 C015 122.7(4) . . ?
C00Q C014 C01M 117.9(4) . . ?
C01M C014 C015 117.9(4) . . ?
C01B C015 C014 124.1(4) . . ?
C01B C015 C01K 116.3(4) . . ?
C01K C015 C014 118.2(4) . . ?
C02A C016 C02D 119.7(5) . . ?
C00U C017 C00X 119.4(4) . . ?
C00U C017 C01Q 116.5(4) . . ?
C01Q C017 C00X 122.9(4) . . ?
C00J C018 C00N 119.7(4) . . ?
C00J C018 C01J 116.7(4) . . ?
C01J C018 C00N 122.6(4) . . ?
C012 C019 C00H 121.5(4) . . ?
C00R C01A C00H 121.1(4) . . ?
C015 C01B C01G 121.6(4) . . ?
C01T C01C C01H 121.6(4) . . ?
C01T C01C C01W 117.1(4) . . ?
C01W C01C C01H 120.1(4) . . ?
C011 C01D C00F 122.7(4) . . ?
C023 C01E C00C 122.2(4) . . ?
C032 C01E C00C 119.2(5) . . ?
C032 C01E C023 118.6(5) . . ?
C01L C01F C01S 117.0(4) . . ?
C01L C01F C02O 123.3(4) . . ?
C01S C01F C02O 119.8(4) . . ?
C01V C01G C01B 121.2(4) . . ?
C024 C01H C01C 121.9(5) . . ?
C02B C01H C01C 119.8(4) . . ?
C02B C01H C024 116.8(4) . . ?
C01X C01I C01N 123.4(5) . . ?
C01X C01I C026 117.7(5) . . ?
C026 C01I C01N 117.6(5) . . ?
C01W C01J C018 121.4(4) . . ?
C01R C01K C015 121.7(4) . . ?
C01F C01L C00Y 121.4(4) . . ?
C00E C01M C014 120.2(4) . . ?
C02K C01N C01I 122.4(5) . . ?
C02V C01N C01I 118.4(5) . . ?
C02V C01N C02K 117.7(5) . . ?
C028 C01O C01V 122.3(5) . . ?
C02H C01O C01V 122.0(4) . . ?
C02H C01O C028 115.1(5) . . ?
C02G C01P C02D 121.9(5) . . ?
C00W C01Q C017 121.5(4) . . ?
C01K C01R C01V 121.4(4) . . ?
C010 C01S C01F 121.6(4) . . ?
C00J C01T C01C 121.2(4) . . ?
C021 C01U C02T 123.9(5) . . ?
C02W C01U C021 116.6(5) . . ?
C02W C01U C02T 118.4(5) . . ?
C01G C01V C01O 122.7(5) . . ?
C01R C01V C01G 117.3(4) . . ?
C01R C01V C01O 119.4(4) . . ?
C01J C01W C01C 120.8(5) . . ?
C024 C01X C01I 121.2(5) . . ?
C00X C01Y C02E 121.0(5) . . ?
C020 C01Z C029 122.7(5) . . ?
C02I C01Z C020 117.8(5) . . ?
C02I C01Z C029 118.4(5) . . ?
C02K C020 C01Z 120.3(5) . . ?
C02M C021 C01U 121.9(5) . . ?
C00X C022 C02Z 121.4(4) . . ?
C01E C023 C02Y 120.3(5) . . ?
C01X C024 C01H 120.6(5) . . ?
C02A C025 C02G 117.0(5) . . ?
C02A C025 C037 123.5(5) . . ?
C02G C025 C037 117.4(5) . . ?
C02B C026 C01I 120.7(5) . . ?
C02F C027 C02Q 120.0(5) . . ?
C02J C027 C02F 116.8(5) . . ?
C02J C027 C02Q 121.4(5) . . ?
C030 C028 C01O 121.7(5) . . ?
C02C C029 C01Z 121.3(5) . . ?
C02S C029 C01Z 119.7(5) . . ?
C02S C029 C02C 117.4(5) . . ?
C025 C02A C016 121.6(5) . . ?
C01H C02B C026 122.1(5) . . ?
C02J C02C C029 120.0(5) . . ?
C016 C02D C00H 122.0(4) . . ?
C01P C02D C00H 119.0(4) . . ?
C01P C02D C016 117.1(4) . . ?
C02P C02E C01Y 122.1(5) . . ?
C02S C02F C027 121.1(5) . . ?
C01P C02G C025 120.8(5) . . ?
C02N C02H C01O 122.8(5) . . ?
C01Z C02I C02V 121.1(5) . . ?
C02C C02J C027 121.7(5) . . ?
C020 C02K C01N 121.3(5) . . ?
C02Q C02L C02W 121.9(5) . . ?
C021 C02M C02Q 120.4(5) . . ?
C02H C02N C02T 120.6(5) . . ?
C01F C02O C031 110.4(4) . . ?
C01F C02O C03T 112.4(5) . . ?
C01F C02O C03Y 108.3(4) . . ?
C031 C02O C03Y 109.1(5) . . ?
C03T C02O C031 107.8(5) . . ?
C03T C02O C03Y 108.7(5) . . ?
C02E C02P C02Z 116.5(5) . . ?
C02E C02P C03F 119.8(5) . . ?
C02Z C02P C03F 122.2(5) . . ?
C02L C02Q C027 118.0(5) . . ?
C02L C02Q C02M 116.3(5) . . ?
C02M C02Q C027 124.6(5) . . ?
C02F C02S C029 121.4(5) . . ?
C02N C02T C01U 121.0(5) . . ?
C030 C02T C01U 121.6(5) . . ?
C030 C02T C02N 116.0(5) . . ?
C01N C02V C02I 120.6(5) . . ?
C01U C02W C02L 122.0(5) . . ?
C8CA C2EA C1EA 119.3(8) . . ?
C8CA C2EA C5DA 121.8(11) . . ?
C8CA C2EA C0FA 7.0(13) . 2_666 ?
C8CA C2EA C7EA 111.6(13) . 2_666 ?
C1EA C2EA C5DA 107.7(7) . . ?
C1EA C2EA C0FA 121.0(12) . 2_666 ?
C1EA C2EA C7EA 116.8(15) . 2_666 ?
C5DA C2EA C0FA 115.8(13) . 2_666 ?
C5DA C2EA C7EA 10.3(11) . 2_666 ?
C9EA C2EA C8CA 44(9) 2_666 . ?
C9EA C2EA C1EA 134(10) 2_666 . ?
C9EA C2EA C5DA 79(9) 2_666 . ?
C9EA C2EA C0FA 37(8) 2_666 2_666 ?
C9EA C2EA C140 128(10) 2_666 2_666 ?
C9EA C2EA C7EA 70(8) 2_666 2_666 ?
C140 C2EA C8CA 119.7(19) 2_666 . ?
C140 C2EA C1EA 8.6(19) 2_666 . ?
C140 C2EA C5DA 101.9(17) 2_666 . ?
C140 C2EA C0FA 120(2) 2_666 2_666 ?
C140 C2EA C7EA 110(3) 2_666 2_666 ?
C7EA C2EA C0FA 105.7(14) 2_666 2_666 ?
C023 C02Y C03G 121.2(6) . . ?
C022 C02Z C02P 119.9(5) . . ?
C028 C030 C02T 121.4(5) . . ?
C01E C032 C03B 120.8(6) . . ?
C03H C034 C038 121.8(5) . . ?
C03O C035 C037 120.2(6) . . ?
C039 C036 C03A 120.8(6) . . ?
C035 C037 C025 118.0(5) . . ?
C039 C037 C025 123.3(5) . . ?
C039 C037 C035 116.7(5) . . ?
C034 C038 C03A 119.9(5) . . ?
C03E C038 C034 116.9(6) . . ?
C03E C038 C03A 122.3(6) . . ?
C036 C039 C037 121.5(5) . . ?
C036 C03A C038 121.3(6) . . ?
C03O C03A C036 117.6(6) . . ?
C03O C03A C038 119.8(5) . . ?
C03G C03B C032 121.3(6) . . ?
C03K C03D C03F 120.7(6) . . ?
C038 C03E C03R 120.4(6) . . ?
C03D C03F C02P 121.8(5) . . ?
C03N C03F C02P 119.9(5) . . ?
C03N C03F C03D 116.4(6) . . ?
C02Y C03G C1BA 120.7(6) . . ?
C03B C03G C02Y 117.8(5) . . ?
C03B C03G C1BA 121.4(6) . . ?
C034 C03H C03L 120.9(6) . . ?
C2EA C8CA C6EA 119.3(8) . . ?
C2EA C8CA C6FA 123.2(14) . 2_666 ?
C2EA C8CA C6 127.5(13) . 2_666 ?
C2EA C8CA C8EA 122.3(13) . . ?
C6EA C8CA C6FA 104.4(13) . 2_666 ?
C6EA C8CA C6 13.3(9) . 2_666 ?
C6EA C8CA C8EA 106.8(11) . . ?
C9EA C8CA C2EA 7.4(16) 2_666 . ?
C9EA C8CA C6EA 123.3(18) 2_666 . ?
C9EA C8CA C6FA 116(2) 2_666 2_666 ?
C9EA C8CA C6 130(2) 2_666 2_666 ?
C9EA C8CA C8EA 115.1(17) 2_666 . ?
C0FA C8CA C2EA 139(7) 2_666 . ?
C0FA C8CA C6EA 78(6) 2_666 . ?
C0FA C8CA C6FA 27(5) 2_666 2_666 ?
C0FA C8CA C9EA 132(8) 2_666 2_666 ?
C0FA C8CA C6 64(6) 2_666 2_666 ?
C0FA C8CA C8EA 30(6) 2_666 . ?
C6 C8CA C6FA 91.4(13) 2_666 2_666 ?
C8EA C8CA C6FA 2.9(13) . 2_666 ?
C8EA C8CA C6 93.9(12) . 2_666 ?
C03Q C03K C03D 121.0(6) . . ?
C03H C03L C04G 120.0(6) . . ?
C03R C03L C03H 117.8(6) . . ?
C03R C03L C04G 121.3(6) . . ?
C041 C03M C7CA 117.4(19) . . ?
C041 C03M C8DA 119.5(17) . 2_666 ?
C041 C03M C8BA 126(2) . 2_666 ?
C041 C03M C0DA 106.2(14) . . ?
C7CA C03M C8DA 108.0(16) . 2_666 ?
C7CA C03M C8BA 8.5(15) . 2_666 ?
C7CA C03M C0DA 122.3(16) . . ?
C9DA C03M C041 167(10) 2_666 . ?
C9DA C03M C7CA 56(9) 2_666 . ?
C9DA C03M C8DA 59(7) 2_666 2_666 ?
C9DA C03M C0EA 171(10) 2_666 2_666 ?
C9DA C03M C8BA 47(8) 2_666 2_666 ?
C9DA C03M C0DA 73(8) 2_666 . ?
C0EA C03M C041 6(2) 2_666 . ?
C0EA C03M C7CA 123(2) 2_666 . ?
C0EA C03M C8DA 117(3) 2_666 2_666 ?
C0EA C03M C8BA 131(3) 2_666 2_666 ?
C0EA C03M C0DA 103(2) 2_666 . ?
C8BA C03M C8DA 101.0(16) 2_666 2_666 ?
C0DA C03M C8DA 14.8(10) . 2_666 ?
C0DA C03M C8BA 115.6(17) . 2_666 ?
C03X C03N C03F 121.2(6) . . ?
C03A C03O C035 121.5(6) . . ?
C03W C9CA C3EA 108.7(12) . . ?
C03W C9CA C1GA 9.4(13) . 2_666 ?
C03W C9CA C2CA 102.1(14) . 2_666 ?
C1EA C9CA C03W 123(2) . . ?
C1EA C9CA C3EA 119.8(9) . . ?
C1EA C9CA C1GA 126(2) . 2_666 ?
C1EA C9CA C140 9.7(18) . 2_666 ?
C1EA C9CA C2CA 121.9(13) . 2_666 ?
C3EA C9CA C1GA 100.8(15) . 2_666 ?
C3EA C9CA C2CA 8.8(13) . 2_666 ?
C3CA C9CA C03W 71(8) 2_666 . ?
C3CA C9CA C1EA 136(10) 2_666 . ?
C3CA C9CA C3EA 40(10) 2_666 . ?
C3CA C9CA C1GA 63(8) 2_666 2_666 ?
C3CA C9CA C140 127(10) 2_666 2_666 ?
C3CA C9CA C2CA 32(9) 2_666 2_666 ?
C1GA C9CA C2CA 93.7(16) 2_666 2_666 ?
C140 C9CA C03W 121(2) 2_666 . ?
C140 C9CA C3EA 114.6(16) 2_666 . ?
C140 C9CA C1GA 123(3) 2_666 2_666 ?
C140 C9CA C2CA 115(2) 2_666 2_666 ?
C03K C03Q C03X 116.9(6) . . ?
C03K C03Q C043 121.1(6) . . ?
C03X C03Q C043 119.8(6) . . ?
C03L C03R C03E 121.5(6) . . ?
C03W C03V C0EA 127.8(17) . 2_666 ?
C03W C03V C3GA 115.4(17) . 2_666 ?
C041 C03V C03W 120.9(15) . . ?
C041 C03V C4EA 120.6(19) . . ?
C041 C03V C0EA 7.5(13) . 2_666 ?
C041 C03V C3GA 113(2) . 2_666 ?
C4EA C03V C03W 108.3(14) . . ?
C4EA C03V C0EA 113.4(18) . 2_666 ?
C4EA C03V C3GA 8.1(15) . 2_666 ?
C2GA C03V C03W 165(10) 2_666 . ?
C2GA C03V C041 45(10) 2_666 . ?
C2GA C03V C4EA 81(10) 2_666 . ?
C2GA C03V C1GA 159(10) 2_666 2_666 ?
C2GA C03V C0EA 38(10) 2_666 2_666 ?
C2GA C03V C3GA 74(10) 2_666 2_666 ?
C1GA C03V C03W 6(2) 2_666 . ?
C1GA C03V C041 116(2) 2_666 . ?
C1GA C03V C4EA 110(2) 2_666 . ?
C1GA C03V C0EA 123(3) 2_666 2_666 ?
C1GA C03V C3GA 117(3) 2_666 2_666 ?
C3GA C03V C0EA 105.3(18) 2_666 2_666 ?
C9CA C03W C03V 108.6(14) . . ?
C9CA C03W C2GA 109.7(16) . 2_666 ?
C9CA C03W C5 127(2) . 2_666 ?
C03V C03W C2GA 1.9(17) . 2_666 ?
C4FA C03W C9CA 115(2) . . ?
C4FA C03W C03V 118.5(14) . . ?
C4FA C03W C3CA 121(2) . 2_666 ?
C4FA C03W C2GA 116.6(17) . 2_666 ?
C4FA C03W C5 12.7(10) . 2_666 ?
C3CA C03W C9CA 10.2(13) 2_666 . ?
C3CA C03W C03V 98.6(17) 2_666 . ?
C3CA C03W C2GA 100(2) 2_666 2_666 ?
C3CA C03W C5 131(2) 2_666 2_666 ?
C1GA C03W C9CA 114(9) 2_666 . ?
C1GA C03W C03V 26(9) 2_666 . ?
C1GA C03W C4FA 95(9) 2_666 . ?
C1GA C03W C3CA 105(9) 2_666 2_666 ?
C1GA C03W C2GA 24(9) 2_666 2_666 ?
C1GA C03W C5 84(9) 2_666 2_666 ?
C5 C03W C03V 106.6(15) 2_666 . ?
C5 C03W C2GA 105(2) 2_666 2_666 ?
C03N C03X C03Q 121.7(7) . . ?
C2DA C5FA C6FA 121.3(7) . . ?
C2DA C5FA C9FA 118.9(13) . . ?
C2DA C5FA C8EA 128.8(13) . 2_666 ?
C2DA C5FA C4CA 130.0(17) . 2_666 ?
C6FA C5FA C9FA 107.6(6) . . ?
C6FA C5FA C8EA 8.8(10) . 2_666 ?
C6FA C5FA C4CA 97.3(11) . 2_666 ?
C9FA C5FA C8EA 99.0(11) . 2_666 ?
C9FA C5FA C4CA 11.4(10) . 2_666 ?
C1DA C5FA C2DA 157(8) 2_666 . ?
C1DA C5FA C6FA 43(5) 2_666 . ?
C1DA C5FA C9FA 66(6) 2_666 . ?
C1DA C5FA C3 150(8) 2_666 2_666 ?
C1DA C5FA C8EA 34(5) 2_666 2_666 ?
C1DA C5FA C4CA 55(5) 2_666 2_666 ?
C3 C5FA C2DA 7.0(16) 2_666 . ?
C3 C5FA C6FA 115.1(16) 2_666 . ?
C3 C5FA C9FA 121.2(19) 2_666 . ?
C3 C5FA C8EA 122(2) 2_666 2_666 ?
C3 C5FA C4CA 132(2) 2_666 2_666 ?
C4CA C5FA C8EA 88.5(13) 2_666 2_666 ?
C2EA C1EA C9EA 5.8(16) . 2_666 ?
C2EA C1EA C3CA 116.0(14) . 2_666 ?
C2EA C1EA C14O 100.0(14) . 2_666 ?
C9CA C1EA C2EA 121.0(9) . . ?
C9CA C1EA C3DA 117.6(19) . . ?
C9CA C1EA C9EA 117.2(13) . 2_666 ?
C9CA C1EA C3CA 7(2) . 2_666 ?
C9CA C1EA C14O 122(2) . 2_666 ?
C3DA C1EA C2EA 108.5(7) . . ?
C3DA C1EA C9EA 108.5(14) . 2_666 ?
C3DA C1EA C3CA 118(2) . 2_666 ?
C3DA C1EA C14O 9.2(13) . 2_666 ?
C3CA C1EA C9EA 112(2) 2_666 2_666 ?
C3CA C1EA C14O 121(3) 2_666 2_666 ?
C140 C1EA C2EA 51(10) 2_666 . ?
C140 C1EA C9CA 110(10) 2_666 . ?
C140 C1EA C3DA 74(9) 2_666 . ?
C140 C1EA C9EA 47(10) 2_666 2_666 ?
C140 C1EA C3CA 104(10) 2_666 2_666 ?
C140 C1EA C14O 65(9) 2_666 2_666 ?
C14O C1EA C9EA 99.7(18) 2_666 2_666 ?
C03M C041 C6BA 108.3(13) . . ?
C03M C041 C9DA 2(2) . 2_666 ?
C03M C041 C0GA 94.7(14) . 2_666 ?
C03V C041 C03M 120.7(19) . . ?
C03V C041 C6BA 121.6(14) . . ?
C03V C041 C9DA 120(2) . 2_666 ?
C03V C041 C0GA 132.8(16) . 2_666 ?
C6BA C041 C9DA 108.2(16) . 2_666 ?
C2GA C041 C03M 114(2) 2_666 . ?
C2GA C041 C03V 7.3(16) 2_666 . ?
C2GA C041 C6BA 128.8(19) 2_666 . ?
C2GA C041 C9DA 113(2) 2_666 2_666 ?
C2GA C041 C0GA 140(2) 2_666 2_666 ?
C0EA C041 C03M 22(7) 2_666 . ?
C0EA C041 C03V 139(7) 2_666 . ?
C0EA C041 C6BA 97(7) 2_666 . ?
C0EA C041 C9DA 24(7) 2_666 2_666 ?
C0EA C041 C2GA 132(8) 2_666 2_666 ?
C0EA C041 C0GA 84(6) 2_666 2_666 ?
C0GA C041 C6BA 13.6(10) 2_666 . ?
C0GA C041 C9DA 94.6(18) 2_666 2_666 ?
C3FA C0CA C9BA 121(2) . . ?
C3FA C0CA C8FA 117.8(16) . . ?
C3FA C0CA C6CA 8.9(17) . 2_666 ?
C3FA C0CA C1CA 111.5(16) . 2_666 ?
C9BA C0CA C6CA 123(2) . 2_666 ?
C9BA C0CA C1CA 111.5(12) . 2_666 ?
C8FA C0CA C9BA 107.9(7) . . ?
C8FA C0CA C6CA 110.1(16) . 2_666 ?
C8FA C0CA C1CA 6.5(13) . 2_666 ?
C5CA C0CA C3FA 77(7) 2_666 . ?
C5CA C0CA C9BA 136(8) 2_666 . ?
C5CA C0CA C8FA 40(6) 2_666 . ?
C5CA C0CA C6CA 70(6) 2_666 2_666 ?
C5CA C0CA C2 134(8) 2_666 2_666 ?
C5CA C0CA C1CA 34(6) 2_666 2_666 ?
C6CA C0CA C1CA 103.7(15) 2_666 2_666 ?
C2 C0CA C3FA 131(2) 2_666 . ?
C2 C0CA C9BA 10.0(19) 2_666 . ?
C2 C0CA C8FA 101.4(17) 2_666 . ?
C2 C0CA C6CA 133(3) 2_666 2_666 ?
C2 C0CA C1CA 106(2) 2_666 2_666 ?
C04H C043 C03Q 118.3(6) . . ?
C04H C043 C04P 117.5(6) . . ?
C04P C043 C03Q 122.4(7) . . ?
C5DA C4DA C3DA 108.0(7) . . ?
C5DA C4DA C7EA 6.9(14) . 2_666 ?
C5DA C4DA C2 117.3(16) . 2_666 ?
C9BA C4DA C5DA 114.0(17) . . ?
C9BA C4DA C3DA 125(2) . . ?
C9BA C4DA C7EA 107.1(16) . 2_666 ?
C9BA C4DA C2 3.4(18) . 2_666 ?
C3DA C4DA C7EA 113.2(12) . 2_666 ?
C3DA C4DA C2 123.2(17) . 2_666 ?
C1 C4DA C5DA 80(8) 2_666 . ?
C1 C4DA C9BA 36(8) 2_666 . ?
C1 C4DA C3DA 157(10) 2_666 . ?
C1 C4DA C7EA 74(8) 2_666 2_666 ?
C1 C4DA C2 39(8) 2_666 2_666 ?
C1 C4DA C14O 152(10) 2_666 2_666 ?
C2 C4DA C7EA 110.4(15) 2_666 2_666 ?
C14O C4DA C5DA 109(2) 2_666 . ?
C14O C4DA C9BA 121(3) 2_666 . ?
C14O C4DA C3DA 5(3) 2_666 . ?
C14O C4DA C7EA 114(3) 2_666 2_666 ?
C14O C4DA C2 119(3) 2_666 2_666 ?
C0CA C3FA C2DA 123.4(17) . . ?
C0CA C3FA C2FA 113.9(19) . . ?
C0CA C3FA C3 117.6(18) . 2_666 ?
C0CA C3FA C5GA 123(2) . 2_666 ?
C2DA C3FA C2FA 107.7(7) . . ?
C2DA C3FA C3 6.9(17) . 2_666 ?
C2FA C3FA C3 108.9(12) . 2_666 ?
C5CA C3FA C0CA 12.6(13) 2_666 . ?
C5CA C3FA C2DA 110.8(19) 2_666 . ?
C5CA C3FA C2FA 123(2) 2_666 . ?
C5CA C3FA C3 105.1(18) 2_666 2_666 ?
C5CA C3FA C5GA 131(3) 2_666 2_666 ?
C6CA C3FA C0CA 111(10) 2_666 . ?
C6CA C3FA C2DA 25(10) 2_666 . ?
C6CA C3FA C2FA 97(10) 2_666 . ?
C6CA C3FA C5CA 100(10) 2_666 2_666 ?
C6CA C3FA C3 20(10) 2_666 2_666 ?
C6CA C3FA C5GA 87(10) 2_666 2_666 ?
C5GA C3FA C2DA 95.8(12) 2_666 . ?
C5GA C3FA C2FA 11.8(11) 2_666 . ?
C5GA C3FA C3 97.2(17) 2_666 2_666 ?
C5FA C2DA C3FA 118.4(17) . . ?
C5FA C2DA C4GA 119.5(8) . . ?
C5FA C2DA C1DA 4.3(13) . 2_666 ?
C5FA C2DA C4 109.1(12) . 2_666 ?
C3FA C2DA C4GA 109.1(7) . . ?
C3FA C2DA C1DA 119.0(18) . 2_666 ?
C4GA C2DA C1DA 116.1(12) . 2_666 ?
C6CA C2DA C5FA 116.8(19) 2_666 . ?
C6CA C2DA C3FA 5(2) 2_666 . ?
C6CA C2DA C4GA 107.3(17) 2_666 . ?
C6CA C2DA C1DA 117(2) 2_666 2_666 ?
C6CA C2DA C4 116(3) 2_666 2_666 ?
C3 C2DA C5FA 34(7) 2_666 . ?
C3 C2DA C3FA 126(10) 2_666 . ?
C3 C2DA C4GA 88(7) 2_666 . ?
C3 C2DA C1DA 30(7) 2_666 2_666 ?
C3 C2DA C6CA 122(10) 2_666 2_666 ?
C3 C2DA C4 78(7) 2_666 2_666 ?
C4 C2DA C3FA 118.1(13) 2_666 . ?
C4 C2DA C4GA 10.5(11) 2_666 . ?
C4 C2DA C1DA 105.8(17) 2_666 2_666 ?
C04P C047 C04G 120.9(7) . . ?
C8CA C6EA C9FA 106.8(12) . 2_666 ?
C8CA C6EA C4CA 105.9(10) . . ?
C3EA C6EA C8CA 120.7(8) . . ?
C3EA C6EA C9FA 117.2(11) . 2_666 ?
C3EA C6EA C0FA 129.3(14) . 2_666 ?
C3EA C6EA C4CA 120.9(7) . . ?
C0FA C6EA C8CA 12.0(10) 2_666 . ?
C0FA C6EA C9FA 94.8(14) 2_666 2_666 ?
C0FA C6EA C4CA 94.0(12) 2_666 . ?
C6 C6EA C8CA 107(5) 2_666 . ?
C6 C6EA C3EA 112(5) 2_666 . ?
C6 C6EA C9FA 7(4) 2_666 2_666 ?
C6 C6EA C0FA 96(5) 2_666 2_666 ?
C6 C6EA C2CA 98(5) 2_666 2_666 ?
C6 C6EA C4CA 12(5) 2_666 . ?
C2CA C6EA C8CA 128.4(16) 2_666 . ?
C2CA C6EA C3EA 13.7(11) 2_666 . ?
C2CA C6EA C9FA 103.6(15) 2_666 2_666 ?
C2CA C6EA C0FA 134(2) 2_666 2_666 ?
C2CA C6EA C4CA 107.3(12) 2_666 . ?
C4CA C6EA C9FA 4.7(12) . 2_666 ?
C03M C7CA C9BA 113(2) . 2_666 ?
C03M C7CA C2 124(2) . . ?
C5EA C7CA C03M 118.6(17) . . ?
C5EA C7CA C9BA 115.9(15) . 2_666 ?
C5EA C7CA C2 108.5(7) . . ?
C9DA C7CA C03M 10.9(15) 2_666 . ?
C9DA C7CA C9BA 104(2) 2_666 2_666 ?
C9DA C7CA C5EA 129(2) 2_666 . ?
C9DA C7CA C2 114(2) 2_666 . ?
C8BA C7CA C03M 89(10) 2_666 . ?
C8BA C7CA C9BA 43(10) 2_666 2_666 ?
C8BA C7CA C5EA 152(10) 2_666 . ?
C8BA C7CA C9DA 78(10) 2_666 2_666 ?
C8BA C7CA C2 48(10) 2_666 . ?
C8BA C7CA C7FA 143(10) 2_666 2_666 ?
C2 C7CA C9BA 10.2(16) . 2_666 ?
C7FA C7CA C03M 128(2) 2_666 . ?
C7FA C7CA C9BA 109(2) 2_666 2_666 ?
C7FA C7CA C5EA 9.3(16) 2_666 . ?
C7FA C7CA C9DA 139(3) 2_666 2_666 ?
C7FA C7CA C2 101.1(15) 2_666 . ?
C041 C6BA C0EA 11.7(12) . 2_666 ?
C041 C6BA C7DA 100.9(13) . 2_666 ?
C4GA C6BA C041 115.3(14) . . ?
C4GA C6BA C7BA 121.9(8) . . ?
C4GA C6BA C0EA 126.5(17) . 2_666 ?
C4GA C6BA C7DA 125.1(12) . 2_666 ?
C7BA C6BA C041 108.5(12) . . ?
C7BA C6BA C0EA 97.6(14) . 2_666 ?
C7BA C6BA C7DA 8.1(12) . 2_666 ?
C0EA C6BA C7DA 90.3(13) 2_666 2_666 ?
C0GA C6BA C041 78(5) 2_666 . ?
C0GA C6BA C4GA 145(6) 2_666 . ?
C0GA C6BA C7BA 31(5) 2_666 . ?
C0GA C6BA C0EA 67(5) 2_666 2_666 ?
C0GA C6BA C4 137(6) 2_666 2_666 ?
C0GA C6BA C7DA 24(4) 2_666 2_666 ?
C4 C6BA C041 123.4(19) 2_666 . ?
C4 C6BA C4GA 10.0(13) 2_666 . ?
C4 C6BA C7BA 112.0(15) 2_666 . ?
C4 C6BA C0EA 134(2) 2_666 2_666 ?
C4 C6BA C7DA 115.6(19) 2_666 2_666 ?
C04H C04D C04G 120.9(7) . . ?
C2EA C5DA C0DA 116.5(14) . 2_666 ?
C4DA C5DA C2EA 108.0(7) . . ?
C4DA C5DA C0DA 122.9(18) . 2_666 ?
C8DA C5DA C2EA 122.7(13) . . ?
C8DA C5DA C4DA 118.7(17) . . ?
C8DA C5DA C9EA 113.9(16) . 2_666 ?
C8DA C5DA C1 107.6(17) . 2_666 ?
C8DA C5DA C0DA 6.2(11) . 2_666 ?
C9EA C5DA C2EA 8.9(11) 2_666 . ?
C9EA C5DA C4DA 114.0(15) 2_666 . ?
C9EA C5DA C1 124(2) 2_666 2_666 ?
C9EA C5DA C0DA 107.8(17) 2_666 2_666 ?
C1 C5DA C2EA 118.5(16) 2_666 . ?
C1 C5DA C4DA 11.4(12) 2_666 . ?
C1 C5DA C0DA 112.0(18) 2_666 2_666 ?
C7EA C5DA C2EA 106(7) 2_666 . ?
C7EA C5DA C4DA 136(10) 2_666 . ?
C7EA C5DA C8DA 18(8) 2_666 . ?
C7EA C5DA C9EA 98(7) 2_666 2_666 ?
C7EA C5DA C1 125(10) 2_666 2_666 ?
C7EA C5DA C0DA 13(8) 2_666 2_666 ?
C0CA C9BA C7CA 102.1(14) . 2_666 ?
C0CA C9BA C5CA 7.3(14) . 2_666 ?
C4DA C9BA C0CA 117.5(19) . . ?
C4DA C9BA C7CA 132(2) . 2_666 ?
C4DA C9BA C5CA 120.0(19) . 2_666 ?
C4DA C9BA C8BA 129(2) . . ?
C7CA C9BA C5CA 96.5(19) 2_666 2_666 ?
C1 C9BA C0CA 126(2) 2_666 . ?
C1 C9BA C4DA 8.6(18) 2_666 . ?
C1 C9BA C7CA 124(3) 2_666 2_666 ?
C1 C9BA C5CA 128(2) 2_666 2_666 ?
C1 C9BA C8BA 121(2) 2_666 . ?
C8BA C9BA C0CA 107.2(8) . . ?
C8BA C9BA C7CA 6.1(16) . 2_666 ?
C8BA C9BA C5CA 101.8(12) . 2_666 ?
C2 C9BA C0CA 50(8) 2_666 . ?
C2 C9BA C4DA 160(10) 2_666 . ?
C2 C9BA C7CA 68(8) 2_666 2_666 ?
C2 C9BA C5CA 50(9) 2_666 2_666 ?
C2 C9BA C1 167(10) 2_666 2_666 ?
C2 C9BA C8BA 70(8) 2_666 . ?
C047 C04G C03L 121.3(6) . . ?
C04D C04G C03L 119.2(7) . . ?
C04D C04G C047 118.0(7) . . ?
C04D C04H C043 120.8(7) . . ?
C0CA C8FA C5EA 118.5(13) . 2_666 ?
C0CA C8FA C7FA 108.0(7) . . ?
C0CA C8FA C4CA 127.1(16) . 2_666 ?
C5EA C8FA C4CA 101.6(14) 2_666 2_666 ?
C9FA C8FA C0CA 120.0(13) . . ?
C9FA C8FA C5EA 108.6(11) . 2_666 ?
C9FA C8FA C7FA 120.4(7) . . ?
C9FA C8FA C4CA 7.6(9) . 2_666 ?
C5CA C8FA C0CA 9.4(15) 2_666 . ?
C5CA C8FA C5EA 126(2) 2_666 2_666 ?
C5CA C8FA C9FA 110.6(16) 2_666 . ?
C5CA C8FA C7FA 115.8(16) 2_666 . ?
C5CA C8FA C4CA 117.8(19) 2_666 2_666 ?
C1CA C8FA C0CA 147(7) 2_666 . ?
C1CA C8FA C5EA 83(4) 2_666 2_666 ?
C1CA C8FA C9FA 28(5) 2_666 . ?
C1CA C8FA C5CA 138(7) 2_666 2_666 ?
C1CA C8FA C7FA 95(4) 2_666 . ?
C1CA C8FA C4CA 21(4) 2_666 2_666 ?
C7FA C8FA C5EA 11.9(10) . 2_666 ?
C7FA C8FA C4CA 113.4(10) . 2_666 ?
C2DA C4GA C4FA 107.3(6) . . ?
C2DA C4GA C3 9.3(13) . 2_666 ?
C2DA C4GA C0GA 112.7(11) . 2_666 ?
C6BA C4GA C2DA 118.7(7) . . ?
C6BA C4GA C4FA 123.0(13) . . ?
C6BA C4GA C3 109.9(12) . 2_666 ?
C6BA C4GA C0GA 7.1(12) . 2_666 ?
C4FA C4GA C0GA 124.7(16) . 2_666 ?
C3 C4GA C4FA 112.7(16) 2_666 . ?
C3 C4GA C0GA 103.7(15) 2_666 2_666 ?
C4 C4GA C2DA 72(6) 2_666 . ?
C4 C4GA C6BA 47(6) 2_666 . ?
C4 C4GA C4FA 151(9) 2_666 . ?
C4 C4GA C3 64(6) 2_666 2_666 ?
C4 C4GA C0GA 41(6) 2_666 2_666 ?
C4 C4GA C5 153(10) 2_666 2_666 ?
C5 C4GA C2DA 110.8(16) 2_666 . ?
C5 C4GA C6BA 121(2) 2_666 . ?
C5 C4GA C4FA 4.2(17) 2_666 . ?
C5 C4GA C3 117(2) 2_666 2_666 ?
C5 C4GA C0GA 124(2) 2_666 2_666 ?
C9CA C3EA C4EA 107.1(12) . . ?
C9CA C3EA C6 127.5(13) . 2_666 ?
C9CA C3EA C3GA 111.0(15) . 2_666 ?
C6EA C3EA C9CA 119.7(8) . . ?
C6EA C3EA C4EA 120.0(7) . . ?
C6EA C3EA C6 13.6(9) . 2_666 ?
C6EA C3EA C3GA 114.6(12) . 2_666 ?
C4EA C3EA C3GA 5.4(12) . 2_666 ?
C3CA C3EA C9CA 7.3(18) 2_666 . ?
C3CA C3EA C6EA 123.8(18) 2_666 . ?
C3CA C3EA C4EA 100.0(17) 2_666 . ?
C3CA C3EA C6 130(3) 2_666 2_666 ?
C3CA C3EA C3GA 104(2) 2_666 2_666 ?
C6 C3EA C4EA 106.4(10) 2_666 . ?
C6 C3EA C3GA 101.0(15) 2_666 2_666 ?
C2CA C3EA C9CA 127(7) 2_666 . ?
C2CA C3EA C6EA 83(6) 2_666 . ?
C2CA C3EA C4EA 38(6) 2_666 . ?
C2CA C3EA C3CA 120(8) 2_666 2_666 ?
C2CA C3EA C6 69(6) 2_666 2_666 ?
C2CA C3EA C3GA 33(5) 2_666 2_666 ?
C3FA C2FA C6CA 8.9(12) . 2_666 ?
C3FA C2FA C5 98.3(11) . 2_666 ?
C3DA C2FA C3FA 127(2) . . ?
C3DA C2FA C4FA 112(2) . . ?
C3DA C2FA C6CA 131(2) . 2_666 ?
C3DA C2FA C14O 11.8(16) . 2_666 ?
C3DA C2FA C5 122(2) . 2_666 ?
C4FA C2FA C3FA 108.5(7) . . ?
C4FA C2FA C6CA 100.3(12) . 2_666 ?
C4FA C2FA C5 10.4(10) . 2_666 ?
C6CA C2FA C5 90.2(14) 2_666 2_666 ?
C5GA C2FA C3FA 65(7) 2_666 . ?
C5GA C2FA C3DA 146(10) 2_666 . ?
C5GA C2FA C4FA 44(7) 2_666 . ?
C5GA C2FA C6CA 57(7) 2_666 2_666 ?
C5GA C2FA C14O 144(10) 2_666 2_666 ?
C5GA C2FA C5 33(6) 2_666 2_666 ?
C14O C2FA C3FA 116(2) 2_666 . ?
C14O C2FA C4FA 119(2) 2_666 . ?
C14O C2FA C6CA 119(2) 2_666 2_666 ?
C14O C2FA C5 127(3) 2_666 2_666 ?
C03V C4EA C3EA 106.9(12) . . ?
C03V C4EA C7FA 118.5(19) . 2_666 ?
C3EA C4EA C7FA 123.1(12) . 2_666 ?
C5EA C4EA C03V 123(2) . . ?
C5EA C4EA C3EA 119.3(8) . . ?
C5EA C4EA C2GA 115(2) . 2_666 ?
C5EA C4EA C7FA 4.4(14) . 2_666 ?
C2GA C4EA C03V 8.9(16) 2_666 . ?
C2GA C4EA C3EA 115.5(18) 2_666 . ?
C2GA C4EA C7FA 110(2) 2_666 2_666 ?
C2CA C4EA C03V 112(2) 2_666 . ?
C2CA C4EA C3EA 8.6(13) 2_666 . ?
C2CA C4EA C5EA 111.0(14) 2_666 . ?
C2CA C4EA C2GA 121(3) 2_666 2_666 ?
C2CA C4EA C7FA 115(2) 2_666 2_666 ?
C3GA C4EA C03V 108(10) 2_666 . ?
C3GA C4EA C3EA 135(8) 2_666 . ?
C3GA C4EA C5EA 16(8) 2_666 . ?
C3GA C4EA C2GA 99(10) 2_666 2_666 ?
C3GA C4EA C2CA 126(9) 2_666 2_666 ?
C3GA C4EA C7FA 12(7) 2_666 2_666 ?
C1EA C3DA C4DA 107.8(8) . . ?
C1EA C3DA C1 108.9(14) . 2_666 ?
C1EA C3DA C5GA 121(2) . 2_666 ?
C4DA C3DA C1 4(2) . 2_666 ?
C4DA C3DA C5GA 116.1(17) . 2_666 ?
C2FA C3DA C1EA 127(2) . . ?
C2FA C3DA C4DA 114.8(18) . . ?
C2FA C3DA C140 128(3) . 2_666 ?
C2FA C3DA C1 111.9(18) . 2_666 ?
C2FA C3DA C5GA 7(2) . 2_666 ?
C140 C3DA C1EA 10.0(14) 2_666 . ?
C140 C3DA C4DA 99.9(15) 2_666 . ?
C140 C3DA C1 101(2) 2_666 2_666 ?
C140 C3DA C5GA 122(3) 2_666 2_666 ?
C5GA C3DA C1 113(2) 2_666 2_666 ?
C14O C3DA C1EA 112(10) 2_666 . ?
C14O C3DA C4DA 22(10) 2_666 . ?
C14O C3DA C2FA 98(10) 2_666 . ?
C14O C3DA C140 102(10) 2_666 2_666 ?
C14O C3DA C1 19(10) 2_666 2_666 ?
C14O C3DA C5GA 97(10) 2_666 2_666 ?
C047 C04P C043 120.6(7) . . ?
C5FA C6FA C8CA 113.5(11) . 2_666 ?
C5FA C6FA C0FA 108.2(7) . . ?
C7BA C6FA C8CA 116.4(11) . 2_666 ?
C7BA C6FA C5FA 118.4(7) . . ?
C7BA C6FA C0FA 120.4(7) . . ?
C0FA C6FA C8CA 5.2(11) . 2_666 ?
C1DA C6FA C8CA 104.0(17) 2_666 2_666 ?
C1DA C6FA C5FA 9.8(12) 2_666 . ?
C1DA C6FA C7BA 127.5(14) 2_666 . ?
C1DA C6FA C0FA 98.8(12) 2_666 . ?
C1DA C6FA C7DA 140(2) 2_666 2_666 ?
C8EA C6FA C8CA 13(6) 2_666 2_666 ?
C8EA C6FA C5FA 125(6) 2_666 . ?
C8EA C6FA C7BA 111(6) 2_666 . ?
C8EA C6FA C0FA 18(6) 2_666 . ?
C8EA C6FA C1DA 115(6) 2_666 2_666 ?
C8EA C6FA C7DA 94(6) 2_666 2_666 ?
C7DA C6FA C8CA 100.1(14) 2_666 2_666 ?
C7DA C6FA C5FA 131.7(13) 2_666 . ?
C7DA C6FA C7BA 16.4(8) 2_666 . ?
C7DA C6FA C0FA 104.2(10) 2_666 . ?
C6BA C7BA C8DA 113.5(14) . 2_666 ?
C6BA C7BA C8EA 129.4(12) . 2_666 ?
C6BA C7BA C0DA 106.9(12) . . ?
C6FA C7BA C6BA 120.0(8) . . ?
C6FA C7BA C8DA 111.7(10) . 2_666 ?
C6FA C7BA C8EA 10.8(9) . 2_666 ?
C6FA C7BA C0DA 120.2(7) . . ?
C0GA C7BA C6BA 9.0(14) 2_666 . ?
C0GA C7BA C6FA 127.5(15) 2_666 . ?
C0GA C7BA C8DA 105(2) 2_666 2_666 ?
C0GA C7BA C8EA 136(2) 2_666 2_666 ?
C0GA C7BA C0DA 97.9(16) 2_666 . ?
C8EA C7BA C8DA 101.3(12) 2_666 2_666 ?
C7DA C7BA C6BA 141(6) 2_666 . ?
C7DA C7BA C6FA 82(4) 2_666 . ?
C7DA C7BA C8DA 31(4) 2_666 2_666 ?
C7DA C7BA C0GA 133(6) 2_666 2_666 ?
C7DA C7BA C8EA 71(4) 2_666 2_666 ?
C7DA C7BA C0DA 40(4) 2_666 . ?
C0DA C7BA C8DA 8.5(9) . 2_666 ?
C0DA C7BA C8EA 109.7(11) . 2_666 ?
C7CA C5EA C8FA 94.9(11) . 2_666 ?
C7CA C5EA C8BA 3.6(18) . 2_666 ?
C7CA C5EA C1CA 107.4(7) . . ?
C8FA C5EA C8BA 91.8(15) 2_666 2_666 ?
C4EA C5EA C7CA 119.8(18) . . ?
C4EA C5EA C8FA 133.5(12) . 2_666 ?
C4EA C5EA C8BA 123(2) . 2_666 ?
C4EA C5EA C1CA 120.6(7) . . ?
C1CA C5EA C8FA 13.4(9) . 2_666 ?
C1CA C5EA C8BA 104.3(13) . 2_666 ?
C3GA C5EA C7CA 117(2) 2_666 . ?
C3GA C5EA C8FA 136(2) 2_666 2_666 ?
C3GA C5EA C4EA 3.2(16) 2_666 . ?
C3GA C5EA C8BA 120(2) 2_666 2_666 ?
C3GA C5EA C1CA 123.6(15) 2_666 . ?
C7FA C5EA C7CA 38(7) 2_666 . ?
C7FA C5EA C8FA 65(5) 2_666 2_666 ?
C7FA C5EA C4EA 157(7) 2_666 . ?
C7FA C5EA C8BA 34(7) 2_666 2_666 ?
C7FA C5EA C1CA 79(5) 2_666 . ?
C7FA C5EA C3GA 154(8) 2_666 2_666 ?
C03M C8DA C7BA 89.3(14) 2_666 2_666 ?
C5DA C8DA C03M 133(2) . 2_666 ?
C5DA C8DA C7BA 124.0(13) . 2_666 ?
C5DA C8DA C9DA 124.7(17) . . ?
C5DA C8DA C7DA 116.3(12) . . ?
C9DA C8DA C03M 10.1(12) . 2_666 ?
C9DA C8DA C7BA 99.3(10) . 2_666 ?
C9DA C8DA C7DA 107.0(7) . . ?
C7EA C8DA C03M 138(3) 2_666 2_666 ?
C7EA C8DA C5DA 5(2) 2_666 . ?
C7EA C8DA C7BA 119(2) 2_666 2_666 ?
C7EA C8DA C9DA 130(2) 2_666 . ?
C7EA C8DA C7DA 111.8(19) 2_666 . ?
C7DA C8DA C03M 97.0(12) . 2_666 ?
C7DA C8DA C7BA 8.0(8) . 2_666 ?
C0DA C8DA C03M 64(4) 2_666 2_666 ?
C0DA C8DA C5DA 155(5) 2_666 . ?
C0DA C8DA C7BA 31(4) 2_666 2_666 ?
C0DA C8DA C9DA 74(5) 2_666 . ?
C0DA C8DA C7EA 150(6) 2_666 2_666 ?
C0DA C8DA C7DA 39(4) 2_666 . ?
C03W C4FA C4GA 120.1(12) . . ?
C03W C4FA C2FA 125.0(17) . . ?
C03W C4FA C1GA 11.9(14) . 2_666 ?
C03W C4FA C4 118.2(14) . 2_666 ?
C4GA C4FA C4 4.4(14) . 2_666 ?
C2FA C4FA C4GA 107.4(6) . . ?
C2FA C4FA C4 107.0(11) . 2_666 ?
C1GA C4FA C4GA 109.0(15) 2_666 . ?
C1GA C4FA C2FA 131.2(19) 2_666 . ?
C1GA C4FA C4 106.8(18) 2_666 2_666 ?
C5GA C4FA C03W 134(2) 2_666 . ?
C5GA C4FA C4GA 97.5(15) 2_666 . ?
C5GA C4FA C2FA 9.9(14) 2_666 . ?
C5GA C4FA C1GA 138(2) 2_666 2_666 ?
C5GA C4FA C4 97.3(17) 2_666 2_666 ?
C5 C4FA C03W 113(6) 2_666 . ?
C5 C4FA C4GA 14(6) 2_666 . ?
C5 C4FA C2FA 119(5) 2_666 . ?
C5 C4FA C1GA 103(6) 2_666 2_666 ?
C5 C4FA C4 17(6) 2_666 2_666 ?
C5 C4FA C5GA 109(6) 2_666 2_666 ?
C5FA C9FA C6EA 107.5(10) . 2_666 ?
C8FA C9FA C5FA 121.4(10) . . ?
C8FA C9FA C6EA 121.0(11) . 2_666 ?
C8FA C9FA C6 119.6(7) . . ?
C1DA C9FA C5FA 11.9(11) 2_666 . ?
C1DA C9FA C6EA 95.8(14) 2_666 2_666 ?
C1DA C9FA C8FA 132.1(16) 2_666 . ?
C1DA C9FA C6 96.2(11) 2_666 . ?
C6 C9FA C5FA 107.8(6) . . ?
C6 C9FA C6EA 1.9(11) . 2_666 ?
C1CA C9FA C5FA 129.9(17) 2_666 . ?
C1CA C9FA C6EA 113.0(18) 2_666 2_666 ?
C1CA C9FA C8FA 8.7(14) 2_666 . ?
C1CA C9FA C1DA 140(2) 2_666 2_666 ?
C1CA C9FA C6 111.8(14) 2_666 . ?
C4CA C9FA C5FA 101(5) 2_666 . ?
C4CA C9FA C6EA 24(6) 2_666 2_666 ?
C4CA C9FA C8FA 136(5) 2_666 . ?
C4CA C9FA C1DA 89(6) 2_666 2_666 ?
C4CA C9FA C6 25(6) 2_666 . ?
C4CA C9FA C1CA 128(6) 2_666 2_666 ?
C3BA C1BA C4BA 112.1(8) . . ?
C3BA C1BA C0AA 107.9(6) . . ?
C4BA C1BA C0AA 103.9(7) . . ?
C5BA C1BA C6DA 109.8(11) . . ?
C5BA C1BA C1FA 113.6(12) . . ?
C1FA C1BA C6DA 107.3(11) . . ?
C1AA C2BA C8 118.5(6) . . ?
C2BA C1AA Cl1 119.3(5) . . ?
C4AA C1AA Cl1 119.3(4) . . ?
C4AA C1AA C2BA 121.4(6) . . ?
C1AA C4AA C3AA 118.9(6) . . ?
C8 C2AA C3AA 119.6(6) . . ?
C2AA C3AA C4AA 120.4(7) . . ?
C2AA C8 C2BA 121.1(6) . . ?
C9AA C8AA C7AA 121.5(6) . . ?
C7AA C6AA Cl0A 119.2(5) . . ?
C7AA C6AA C5AA 122.8(6) . . ?
C5AA C6AA Cl0A 118.0(5) . . ?
C6AA C7AA C8AA 117.7(6) . . ?
C8AA C9AA C0BA 119.3(7) . . ?
C6AA C5AA C0BA 118.1(6) . . ?
C9AA C0BA C5AA 120.6(7) . . ?
C2EA C9EA C8CA 129(10) 2_666 2_666 ?
C2EA C9EA C1EA 40(10) 2_666 2_666 ?
C2EA C9EA C5DA 92(9) 2_666 2_666 ?
C2EA C9EA C0FA 138(10) 2_666 . ?
C2EA C9EA C140 45(10) 2_666 . ?
C2EA C9EA C7EA 102(8) 2_666 . ?
C8CA C9EA C1EA 118(2) 2_666 2_666 ?
C8CA C9EA C5DA 138(2) 2_666 2_666 ?
C8CA C9EA C0FA 9.0(15) 2_666 . ?
C8CA C9EA C140 119.7(19) 2_666 . ?
C8CA C9EA C7EA 126.5(14) 2_666 . ?
C5DA C9EA C1EA 101(2) 2_666 2_666 ?
C5DA C9EA C140 96.2(18) 2_666 . ?
C5DA C9EA C7EA 11.1(11) 2_666 . ?
C0FA C9EA C1EA 121.5(16) . 2_666 ?
C0FA C9EA C5DA 130.1(13) . 2_666 ?
C0FA C9EA C140 122.3(15) . . ?
C0FA C9EA C7EA 119.1(7) . . ?
C140 C9EA C1EA 7.3(17) . 2_666 ?
C140 C9EA C7EA 106.1(14) . . ?
C7EA C9EA C1EA 110.9(16) . 2_666 ?
C8CA C0FA C2EA 34(6) 2_666 2_666 ?
C8CA C0FA C6EA 90(6) 2_666 2_666 ?
C8CA C0FA C6FA 148(6) 2_666 . ?
C8CA C0FA C9EA 39(7) 2_666 . ?
C8CA C0FA C6 105(6) 2_666 . ?
C8CA C0FA C8EA 143(7) 2_666 2_666 ?
C6EA C0FA C2EA 107.0(16) 2_666 2_666 ?
C6EA C0FA C6FA 121.6(11) 2_666 . ?
C6EA C0FA C9EA 111.0(14) 2_666 . ?
C6EA C0FA C6 14.9(9) 2_666 . ?
C6FA C0FA C2EA 125.2(11) . 2_666 ?
C6FA C0FA C6 107.0(6) . . ?
C9EA C0FA C2EA 5.5(13) . 2_666 ?
C9EA C0FA C6FA 119.9(7) . . ?
C9EA C0FA C6 121.6(12) . . ?
C6 C0FA C2EA 118.4(13) . 2_666 ?
C8EA C0FA C2EA 123(2) 2_666 2_666 ?
C8EA C0FA C6EA 125.8(19) 2_666 2_666 ?
C8EA C0FA C6FA 4.7(16) 2_666 . ?
C8EA C0FA C9EA 117.5(15) 2_666 . ?
C8EA C0FA C6 111.3(15) 2_666 . ?
C03M C9DA C041 11(10) 2_666 2_666 ?
C03M C9DA C7CA 113(10) 2_666 2_666 ?
C03M C9DA C8DA 111(8) 2_666 . ?
C03M C9DA C0EA 7(9) 2_666 . ?
C03M C9DA C8BA 123(10) 2_666 . ?
C03M C9DA C0DA 95(8) 2_666 2_666 ?
C7CA C9DA C041 108(2) 2_666 2_666 ?
C7CA C9DA C8DA 126(2) 2_666 . ?
C7CA C9DA C0EA 112(2) 2_666 . ?
C7CA C9DA C0DA 141(2) 2_666 2_666 ?
C8DA C9DA C041 110.1(13) . 2_666 ?
C0EA C9DA C041 5.1(16) . 2_666 ?
C0EA C9DA C8DA 108.3(7) . . ?
C8BA C9DA C041 118(2) . 2_666 ?
C8BA C9DA C7CA 9.6(17) . 2_666 ?
C8BA C9DA C8DA 118.9(16) . . ?
C8BA C9DA C0EA 122.0(19) . . ?
C8BA C9DA C0DA 134.6(18) . 2_666 ?
C0DA C9DA C041 94.8(16) 2_666 2_666 ?
C0DA C9DA C8DA 16.5(9) 2_666 . ?
C0DA C9DA C0EA 92.5(11) 2_666 . ?
C9CA C3CA C03W 98(8) 2_666 2_666 ?
C9CA C3CA C1EA 37(10) 2_666 2_666 ?
C9CA C3CA C3EA 133(10) 2_666 2_666 ?
C9CA C3CA C1GA 109(9) 2_666 . ?
C9CA C3CA C140 46(10) 2_666 . ?
C9CA C3CA C2CA 143(10) 2_666 . ?
C03W C3CA C1EA 113(2) 2_666 2_666 ?
C03W C3CA C1GA 10.7(14) 2_666 . ?
C03W C3CA C140 114(2) 2_666 . ?
C03W C3CA C2CA 117.3(16) 2_666 . ?
C1EA C3CA C140 8.9(15) 2_666 . ?
C3EA C3CA C03W 125(2) 2_666 2_666 ?
C3EA C3CA C1EA 119(2) 2_666 2_666 ?
C3EA C3CA C1GA 116.5(15) 2_666 . ?
C3EA C3CA C140 115.4(18) 2_666 . ?
C3EA C3CA C2CA 10.9(15) 2_666 . ?
C1GA C3CA C1EA 119(2) . 2_666 ?
C1GA C3CA C140 118(2) . . ?
C2CA C3CA C1EA 123.5(16) . 2_666 ?
C2CA C3CA C1GA 107.8(7) . . ?
C2CA C3CA C140 118.3(14) . . ?
C03V C2GA C03W 13(10) 2_666 2_666 ?
C03V C2GA C041 128(10) 2_666 2_666 ?
C03V C2GA C4EA 90(10) 2_666 2_666 ?
C03V C2GA C1GA 18(10) 2_666 . ?
C03V C2GA C0EA 137(10) 2_666 . ?
C03V C2GA C3GA 98(10) 2_666 . ?
C041 C2GA C03W 116(2) 2_666 2_666 ?
C041 C2GA C4EA 134(3) 2_666 2_666 ?
C041 C2GA C1GA 111.8(16) 2_666 . ?
C041 C2GA C0EA 9.5(14) 2_666 . ?
C041 C2GA C3GA 126(2) 2_666 . ?
C4EA C2GA C03W 98(2) 2_666 2_666 ?
C4EA C2GA C1GA 100.1(14) 2_666 . ?
C4EA C2GA C0EA 126(2) 2_666 . ?
C4EA C2GA C3GA 8.7(14) 2_666 . ?
C1GA C2GA C03W 4.5(16) . 2_666 ?
C1GA C2GA C0EA 120.6(8) . . ?
C1GA C2GA C3GA 107.6(7) . . ?
C0EA C2GA C03W 124.4(14) . 2_666 ?
C0EA C2GA C3GA 117.3(19) . . ?
C3GA C2GA C03W 106.2(15) . 2_666 ?
C03V C1GA C9CA 115(3) 2_666 2_666 ?
C03V C1GA C4FA 135(3) 2_666 2_666 ?
C03V C1GA C3CA 106.0(19) 2_666 . ?
C03V C1GA C2GA 3(2) 2_666 . ?
C03V C1GA C5 121.8(19) 2_666 . ?
C03W C1GA C9CA 56(8) 2_666 2_666 ?
C03W C1GA C03V 148(10) 2_666 2_666 ?
C03W C1GA C4FA 73(8) 2_666 2_666 ?
C03W C1GA C3CA 64(8) 2_666 . ?
C03W C1GA C2GA 151(10) 2_666 . ?
C03W C1GA C5 85(9) 2_666 . ?
C4FA C1GA C9CA 104.3(18) 2_666 2_666 ?
C4FA C1GA C3CA 111.3(19) 2_666 . ?
C4FA C1GA C2GA 132.1(13) 2_666 . ?
C4FA C1GA C5 13.5(11) 2_666 . ?
C3CA C1GA C9CA 8.9(12) . 2_666 ?
C3CA C1GA C5 123.8(18) . . ?
C2GA C1GA C9CA 116.5(13) . 2_666 ?
C2GA C1GA C3CA 107.7(7) . . ?
C2GA C1GA C5 119.0(7) . . ?
C5 C1GA C9CA 117.3(18) . 2_666 ?
C5FA C1DA C2DA 19(6) 2_666 2_666 ?
C5FA C1DA C6FA 127(6) 2_666 2_666 ?
C5FA C1DA C9FA 102(6) 2_666 2_666 ?
C5FA C1DA C3 23(7) 2_666 . ?
C5FA C1DA C8EA 138(6) 2_666 . ?
C5FA C1DA C4CA 114(6) 2_666 . ?
C6FA C1DA C2DA 115.2(19) 2_666 2_666 ?
C6FA C1DA C9FA 128.5(17) 2_666 2_666 ?
C6FA C1DA C3 110.9(15) 2_666 . ?
C6FA C1DA C8EA 11.4(12) 2_666 . ?
C6FA C1DA C4CA 117.1(14) 2_666 . ?
C9FA C1DA C2DA 107.0(17) 2_666 2_666 ?
C9FA C1DA C3 109.4(17) 2_666 . ?
C9FA C1DA C8EA 117.4(14) 2_666 . ?
C9FA C1DA C4CA 12.9(11) 2_666 . ?
C3 C1DA C2DA 5.0(12) . 2_666 ?
C8EA C1DA C2DA 125.4(14) . 2_666 ?
C8EA C1DA C3 120.9(12) . . ?
C8EA C1DA C4CA 105.8(12) . . ?
C4CA C1DA C2DA 119.8(16) . 2_666 ?
C4CA C1DA C3 122.1(15) . . ?
C2EA C140 C9CA 124(3) 2_666 2_666 ?
C2EA C140 C3DA 121(3) 2_666 2_666 ?
C2EA C140 C9EA 7.1(19) 2_666 . ?
C2EA C140 C3CA 120(2) 2_666 . ?
C2EA C140 C14O 112(2) 2_666 . ?
C9CA C140 C9EA 121(2) 2_666 . ?
C9CA C140 C3CA 7.4(19) 2_666 . ?
C9CA C140 C14O 121(2) 2_666 . ?
C1EA C140 C2EA 121(10) 2_666 2_666 ?
C1EA C140 C9CA 60(10) 2_666 2_666 ?
C1EA C140 C3DA 96(9) 2_666 2_666 ?
C1EA C140 C9EA 126(10) 2_666 . ?
C1EA C140 C3CA 67(10) 2_666 . ?
C1EA C140 C14O 106(9) 2_666 . ?
C3DA C140 C9CA 114(2) 2_666 2_666 ?
C3DA C140 C9EA 122(2) 2_666 . ?
C3DA C140 C3CA 116(2) 2_666 . ?
C3DA C140 C14O 10.3(14) 2_666 . ?
C9EA C140 C3CA 116.5(15) . . ?
C9EA C140 C14O 112.2(15) . . ?
C14O C140 C3CA 122(2) . . ?
C03M C0EA C03V 122(2) 2_666 2_666 ?
C03M C0EA C6BA 122(2) 2_666 2_666 ?
C03M C0EA C9DA 2(2) 2_666 . ?
C03M C0EA C2GA 118(2) 2_666 . ?
C03M C0EA C0GA 109(2) 2_666 . ?
C041 C0EA C03M 152(9) 2_666 2_666 ?
C041 C0EA C03V 34(6) 2_666 2_666 ?
C041 C0EA C6BA 71(6) 2_666 2_666 ?
C041 C0EA C9DA 151(9) 2_666 . ?
C041 C0EA C2GA 39(6) 2_666 . ?
C041 C0EA C0GA 83(6) 2_666 . ?
C6BA C0EA C03V 103.1(17) 2_666 2_666 ?
C9DA C0EA C03V 122.0(19) . 2_666 ?
C9DA C0EA C6BA 120.7(11) . 2_666 ?
C9DA C0EA C0GA 108.1(7) . . ?
C2GA C0EA C03V 5.3(13) . 2_666 ?
C2GA C0EA C6BA 108.4(11) . 2_666 ?
C2GA C0EA C9DA 117.9(17) . . ?
C2GA C0EA C0GA 119.4(7) . . ?
C0GA C0EA C03V 114.2(13) . 2_666 ?
C0GA C0EA C6BA 12.8(9) . 2_666 ?
C0CA C5CA C3FA 90(7) 2_666 2_666 ?
C0CA C5CA C9BA 37(7) 2_666 2_666 ?
C0CA C5CA C8FA 130(7) 2_666 2_666 ?
C0CA C5CA C6CA 99(7) 2_666 . ?
C0CA C5CA C2 38(7) 2_666 . ?
C0CA C5CA C1CA 139(7) 2_666 . ?
C3FA C5CA C9BA 108.4(18) 2_666 2_666 ?
C3FA C5CA C6CA 9.9(16) 2_666 . ?
C3FA C5CA C2 115.7(19) 2_666 . ?
C3FA C5CA C1CA 130.7(16) 2_666 . ?
C8FA C5CA C3FA 140(2) 2_666 2_666 ?
C8FA C5CA C9BA 106(2) 2_666 2_666 ?
C8FA C5CA C6CA 131.0(17) 2_666 . ?
C8FA C5CA C2 100.3(13) 2_666 . ?
C8FA C5CA C1CA 9.3(15) 2_666 . ?
C6CA C5CA C9BA 112.8(16) . 2_666 ?
C6CA C5CA C2 120.8(17) . . ?
C6CA C5CA C1CA 121.7(14) . . ?
C2 C5CA C9BA 8.4(17) . 2_666 ?
C1CA C5CA C9BA 112.3(14) . 2_666 ?
C1CA C5CA C2 107.5(7) . . ?
C4DA C1 C5DA 88(8) 2_666 2_666 ?
C4DA C1 C9BA 135(10) 2_666 2_666 ?
C4DA C1 C3DA 19(10) 2_666 2_666 ?
C4DA C1 C7EA 97(8) 2_666 . ?
C4DA C1 C2 133(9) 2_666 . ?
C4DA C1 C14O 23(10) 2_666 . ?
C5DA C1 C3DA 96.0(19) 2_666 2_666 ?
C5DA C1 C7EA 8.5(13) 2_666 . ?
C5DA C1 C14O 97.0(16) 2_666 . ?
C9BA C1 C5DA 133(2) 2_666 2_666 ?
C9BA C1 C3DA 120(3) 2_666 2_666 ?
C9BA C1 C7EA 124(2) 2_666 . ?
C9BA C1 C2 3(2) 2_666 . ?
C9BA C1 C14O 118(2) 2_666 . ?
C7EA C1 C3DA 103.1(16) . 2_666 ?
C2 C1 C5DA 135.1(19) . 2_666 ?
C2 C1 C3DA 119(2) . 2_666 ?
C2 C1 C7EA 126.6(18) . . ?
C2 C1 C14O 117(2) . . ?
C14O C1 C3DA 3(2) . 2_666 ?
C14O C1 C7EA 103.8(14) . . ?
C0CA C6CA C2FA 105.5(16) 2_666 2_666 ?
C3FA C6CA C0CA 60(9) 2_666 2_666 ?
C3FA C6CA C2DA 150(10) 2_666 2_666 ?
C3FA C6CA C2FA 74(10) 2_666 2_666 ?
C3FA C6CA C5CA 70(9) 2_666 . ?
C3FA C6CA C3 157(10) 2_666 . ?
C3FA C6CA C5GA 83(10) 2_666 . ?
C2DA C6CA C0CA 133(2) 2_666 2_666 ?
C2DA C6CA C2FA 117(2) 2_666 2_666 ?
C2DA C6CA C5CA 121.0(18) 2_666 . ?
C2DA C6CA C3 8.4(19) 2_666 . ?
C2DA C6CA C5GA 106.2(14) 2_666 . ?
C5CA C6CA C0CA 11.6(12) . 2_666 ?
C5CA C6CA C2FA 115.5(17) . 2_666 ?
C5CA C6CA C3 114.9(15) . . ?
C5CA C6CA C5GA 124.9(18) . . ?
C3 C6CA C0CA 126.4(17) . 2_666 ?
C3 C6CA C2FA 119.1(12) . 2_666 ?
C5GA C6CA C0CA 115.4(18) . 2_666 ?
C5GA C6CA C2FA 10.9(11) . 2_666 ?
C5GA C6CA C3 108.3(6) . . ?
C5FA C3 C3FA 120(2) 2_666 2_666 ?
C5FA C3 C4GA 135(2) 2_666 2_666 ?
C5FA C3 C1DA 6.3(16) 2_666 . ?
C5FA C3 C6CA 120(2) 2_666 . ?
C5FA C3 C4 124.6(17) 2_666 . ?
C2DA C3 C5FA 139(9) 2_666 2_666 ?
C2DA C3 C3FA 47(10) 2_666 2_666 ?
C2DA C3 C4GA 83(7) 2_666 2_666 ?
C2DA C3 C1DA 145(8) 2_666 . ?
C2DA C3 C6CA 49(10) 2_666 . ?
C2DA C3 C4 92(7) 2_666 . ?
C4GA C3 C3FA 101(2) 2_666 2_666 ?
C1DA C3 C3FA 122.2(16) . 2_666 ?
C1DA C3 C4GA 129.8(15) . 2_666 ?
C1DA C3 C6CA 121.8(16) . . ?
C1DA C3 C4 119.8(11) . . ?
C6CA C3 C3FA 3.4(18) . 2_666 ?
C6CA C3 C4GA 99.6(12) . 2_666 ?
C4 C3 C3FA 110.4(15) . 2_666 ?
C4 C3 C4GA 10.1(11) . 2_666 ?
C4 C3 C6CA 108.9(7) . . ?
C6EA C6 C8CA 59(4) 2_666 2_666 ?
C6EA C6 C3EA 55(4) 2_666 2_666 ?
C6EA C6 C9FA 171(5) 2_666 . ?
C6EA C6 C0FA 70(4) 2_666 . ?
C6EA C6 C2CA 67(5) 2_666 . ?
C6EA C6 C4CA 164(6) 2_666 2_666 ?
C3EA C6 C8CA 101.3(14) 2_666 2_666 ?
C9FA C6 C8CA 119.7(10) . 2_666 ?
C9FA C6 C3EA 132.2(11) . 2_666 ?
C9FA C6 C0FA 109.3(7) . . ?
C0FA C6 C8CA 10.4(9) . 2_666 ?
C0FA C6 C3EA 110.5(12) . 2_666 ?
C2CA C6 C8CA 110.5(13) . 2_666 ?
C2CA C6 C3EA 11.9(10) . 2_666 ?
C2CA C6 C9FA 120.3(7) . . ?
C2CA C6 C0FA 118.9(11) . . ?
C4CA C6 C8CA 118.0(19) 2_666 2_666 ?
C4CA C6 C3EA 137(2) 2_666 2_666 ?
C4CA C6 C9FA 6.8(17) 2_666 . ?
C4CA C6 C0FA 107.7(15) 2_666 . ?
C4CA C6 C2CA 125.3(15) 2_666 . ?
C03M C8BA C5EA 107(2) 2_666 2_666 ?
C7CA C8BA C03M 82(10) 2_666 2_666 ?
C7CA C8BA C9BA 131(10) 2_666 . ?
C7CA C8BA C5EA 24(10) 2_666 2_666 ?
C7CA C8BA C9DA 92(10) 2_666 . ?
C7CA C8BA C2 126(10) 2_666 2_666 ?
C7CA C8BA C7FA 32(10) 2_666 . ?
C9BA C8BA C03M 122(2) . 2_666 ?
C9BA C8BA C5EA 113.1(12) . 2_666 ?
C9DA C8BA C03M 9.9(16) . 2_666 ?
C9DA C8BA C9BA 114(2) . . ?
C9DA C8BA C5EA 116(2) . 2_666 ?
C9DA C8BA C2 126(2) . 2_666 ?
C9DA C8BA C7FA 124(2) . . ?
C2 C8BA C03M 134(3) 2_666 2_666 ?
C2 C8BA C9BA 11.5(16) 2_666 . ?
C2 C8BA C5EA 105(2) 2_666 2_666 ?
C2 C8BA C7FA 99.4(16) 2_666 . ?
C7FA C8BA C03M 114(2) . 2_666 ?
C7FA C8BA C9BA 108.2(7) . . ?
C7FA C8BA C5EA 7.4(15) . 2_666 ?
C041 C0GA C4GA 100.8(16) 2_666 2_666 ?
C041 C0GA C0EA 12.6(12) 2_666 . ?
C041 C0GA C0DA 83.9(13) 2_666 2_666 ?
C6BA C0GA C041 88(5) 2_666 2_666 ?
C6BA C0GA C4GA 28(5) 2_666 2_666 ?
C6BA C0GA C7BA 140(6) 2_666 2_666 ?
C6BA C0GA C0EA 100(5) 2_666 . ?
C6BA C0GA C4 33(5) 2_666 . ?
C6BA C0GA C7DA 150(5) 2_666 . ?
C6BA C0GA C0DA 171(6) 2_666 2_666 ?
C4GA C0GA C0DA 151.2(17) 2_666 2_666 ?
C7BA C0GA C041 131(2) 2_666 2_666 ?
C7BA C0GA C4GA 120(2) 2_666 2_666 ?
C7BA C0GA C0EA 119.3(14) 2_666 . ?
C7BA C0GA C4 112.7(16) 2_666 . ?
C7BA C0GA C7DA 11.5(14) 2_666 . ?
C7BA C0GA C0DA 47.1(10) 2_666 2_666 ?
C0EA C0GA C4GA 113.3(12) . 2_666 ?
C0EA C0GA C0DA 72.2(10) . 2_666 ?
C4 C0GA C041 107.7(12) . 2_666 ?
C4 C0GA C4GA 7.3(10) . 2_666 ?
C4 C0GA C0EA 120.0(7) . . ?
C4 C0GA C7DA 119.6(11) . . ?
C4 C0GA C0DA 147.2(13) . 2_666 ?
C7DA C0GA C041 119.7(13) . 2_666 ?
C7DA C0GA C4GA 126.5(13) . 2_666 ?
C7DA C0GA C0EA 108.5(7) . . ?
C7DA C0GA C0DA 36.5(9) . 2_666 ?
C2EA C7EA C4DA 93.2(15) 2_666 2_666 ?
C2EA C7EA C1 102.5(15) 2_666 . ?
C5DA C7EA C2EA 63(6) 2_666 2_666 ?
C5DA C7EA C4DA 37(9) 2_666 2_666 ?
C5DA C7EA C8DA 157(10) 2_666 2_666 ?
C5DA C7EA C9EA 71(7) 2_666 . ?
C5DA C7EA C1 46(9) 2_666 . ?
C5DA C7EA C0DA 164(10) 2_666 . ?
C8DA C7EA C2EA 137(2) 2_666 2_666 ?
C8DA C7EA C4DA 121(3) 2_666 2_666 ?
C8DA C7EA C9EA 129.3(18) 2_666 . ?
C8DA C7EA C1 111(2) 2_666 . ?
C8DA C7EA C0DA 8.6(17) 2_666 . ?
C9EA C7EA C2EA 8.1(11) . 2_666 ?
C9EA C7EA C4DA 99.1(14) . 2_666 ?
C9EA C7EA C1 108.1(13) . . ?
C1 C7EA C4DA 9.8(11) . 2_666 ?
C0DA C7EA C2EA 128.7(12) . 2_666 ?
C0DA C7EA C4DA 127.0(19) . 2_666 ?
C0DA C7EA C9EA 120.7(8) . . ?
C0DA C7EA C1 117.7(17) . . ?
C0CA C2 C4DA 110.2(18) 2_666 2_666 ?
C0CA C2 C7CA 116.1(16) 2_666 . ?
C0CA C2 C5CA 8.4(16) 2_666 . ?
C0CA C2 C1 117(2) 2_666 . ?
C0CA C2 C8BA 123(3) 2_666 2_666 ?
C7CA C2 C4DA 118(2) . 2_666 ?
C9BA C2 C0CA 120(9) 2_666 2_666 ?
C9BA C2 C4DA 16(8) 2_666 2_666 ?
C9BA C2 C7CA 102(9) 2_666 . ?
C9BA C2 C5CA 122(10) 2_666 . ?
C9BA C2 C1 11(9) 2_666 . ?
C9BA C2 C8BA 99(8) 2_666 2_666 ?
C5CA C2 C4DA 113.9(18) . 2_666 ?
C5CA C2 C7CA 108.2(7) . . ?
C1 C2 C4DA 7.3(15) . 2_666 ?
C1 C2 C7CA 112(2) . . ?
C1 C2 C5CA 121(2) . . ?
C8BA C2 C4DA 114(2) 2_666 2_666 ?
C8BA C2 C7CA 6.9(16) 2_666 . ?
C8BA C2 C5CA 115.0(17) 2_666 . ?
C8BA C2 C1 108(2) 2_666 . ?
C8FA C1CA C0CA 27(5) 2_666 2_666 ?
C8FA C1CA C5EA 84(5) 2_666 . ?
C8FA C1CA C9FA 143(6) 2_666 2_666 ?
C8FA C1CA C5CA 33(6) 2_666 . ?
C8FA C1CA C7FA 72(4) 2_666 2_666 ?
C8FA C1CA C4CA 154(6) 2_666 . ?
C5EA C1CA C0CA 102.1(12) . 2_666 ?
C9FA C1CA C0CA 118(2) 2_666 2_666 ?
C9FA C1CA C5EA 129.4(14) 2_666 . ?
C9FA C1CA C5CA 111.2(17) 2_666 . ?
C9FA C1CA C7FA 141(2) 2_666 2_666 ?
C9FA C1CA C4CA 10.8(13) 2_666 . ?
C5CA C1CA C0CA 6.6(11) . 2_666 ?
C5CA C1CA C5EA 107.8(7) . . ?
C5CA C1CA C7FA 96.7(12) . 2_666 ?
C7FA C1CA C0CA 90.7(14) 2_666 2_666 ?
C7FA C1CA C5EA 12.2(10) 2_666 . ?
C4CA C1CA C0CA 128.3(16) . 2_666 ?
C4CA C1CA C5EA 119.7(7) . . ?
C4CA C1CA C5CA 121.7(14) . . ?
C4CA C1CA C7FA 131.7(12) . 2_666 ?
C2DA C4 C4FA 98.2(17) 2_666 2_666 ?
C6BA C4 C2DA 139(2) 2_666 2_666 ?
C6BA C4 C4FA 116(2) 2_666 2_666 ?
C6BA C4 C3 129.8(16) 2_666 . ?
C6BA C4 C0GA 9.7(14) 2_666 . ?
C6BA C4 C5 115.0(15) 2_666 . ?
C4GA C4 C2DA 97(7) 2_666 2_666 ?
C4GA C4 C6BA 123(7) 2_666 2_666 ?
C4GA C4 C4FA 25(8) 2_666 2_666 ?
C4GA C4 C3 106(6) 2_666 . ?
C4GA C4 C0GA 131(7) 2_666 . ?
C4GA C4 C5 22(8) 2_666 . ?
C3 C4 C2DA 9.8(14) . 2_666 ?
C3 C4 C4FA 104.6(11) . 2_666 ?
C3 C4 C0GA 120.6(11) . . ?
C3 C4 C5 107.6(7) . . ?
C0GA C4 C2DA 130.2(15) . 2_666 ?
C0GA C4 C4FA 121.0(12) . 2_666 ?
C0GA C4 C5 120.3(8) . . ?
C5 C4 C2DA 100.8(15) . 2_666 ?
C5 C4 C4FA 4.2(14) . 2_666 ?
C6EA C2CA C9CA 106.8(18) 2_666 2_666 ?
C6EA C2CA C3CA 111.0(15) 2_666 . ?
C6EA C2CA C6 15.4(10) 2_666 . ?
C6EA C2CA C3GA 134.7(11) 2_666 . ?
C3EA C2CA C9CA 45(6) 2_666 2_666 ?
C3EA C2CA C6EA 84(6) 2_666 2_666 ?
C3EA C2CA C4EA 133(7) 2_666 2_666 ?
C3EA C2CA C3CA 49(7) 2_666 . ?
C3EA C2CA C6 99(6) 2_666 . ?
C3EA C2CA C3GA 141(6) 2_666 . ?
C4EA C2CA C9CA 108(2) 2_666 2_666 ?
C4EA C2CA C6EA 142(2) 2_666 2_666 ?
C4EA C2CA C3CA 102.9(16) 2_666 . ?
C4EA C2CA C6 126.7(15) 2_666 . ?
C4EA C2CA C3GA 7.3(15) 2_666 . ?
C3CA C2CA C9CA 5.3(15) . 2_666 ?
C6 C2CA C9CA 118.5(15) . 2_666 ?
C6 C2CA C3CA 122.1(12) . . ?
C6 C2CA C3GA 119.5(7) . . ?
C3GA C2CA C9CA 113.7(13) . 2_666 ?
C3GA C2CA C3CA 108.5(7) . . ?
C3FA C5GA C3DA 115.1(17) 2_666 2_666 ?
C3FA C5GA C6CA 10.0(15) 2_666 . ?
C3FA C5GA C14O 106.2(18) 2_666 . ?
C3FA C5GA C5 117.1(14) 2_666 . ?
C2FA C5GA C3FA 103(7) 2_666 2_666 ?
C2FA C5GA C3DA 27(9) 2_666 2_666 ?
C2FA C5GA C4FA 126(8) 2_666 2_666 ?
C2FA C5GA C6CA 112(8) 2_666 . ?
C2FA C5GA C14O 29(10) 2_666 . ?
C2FA C5GA C5 140(8) 2_666 . ?
C3DA C5GA C14O 9.7(13) 2_666 . ?
C4FA C5GA C3FA 130(2) 2_666 2_666 ?
C4FA C5GA C3DA 109(2) 2_666 2_666 ?
C4FA C5GA C6CA 120.9(13) 2_666 . ?
C4FA C5GA C14O 115(2) 2_666 . ?
C4FA C5GA C5 13.3(12) 2_666 . ?
C6CA C5GA C3DA 120.9(17) . 2_666 ?
C6CA C5GA C14O 111.5(18) . . ?
C6CA C5GA C5 108.0(7) . . ?
C5 C5GA C3DA 121.3(17) . 2_666 ?
C5 C5GA C14O 126.7(19) . . ?
C03V C3GA C3EA 95.4(17) 2_666 2_666 ?
C4EA C3GA C03V 64(10) 2_666 2_666 ?
C4EA C3GA C3EA 40(7) 2_666 2_666 ?
C4EA C3GA C5EA 161(10) 2_666 2_666 ?
C4EA C3GA C2GA 72(10) 2_666 . ?
C4EA C3GA C2CA 47(8) 2_666 . ?
C4EA C3GA C7FA 166(8) 2_666 . ?
C5EA C3GA C03V 134(3) 2_666 2_666 ?
C5EA C3GA C3EA 122(2) 2_666 2_666 ?
C5EA C3GA C2GA 126(2) 2_666 . ?
C5EA C3GA C2CA 115.1(15) 2_666 . ?
C5EA C3GA C7FA 5.7(17) 2_666 . ?
C2GA C3GA C03V 8.3(15) . 2_666 ?
C2GA C3GA C3EA 103.7(12) . 2_666 ?
C2CA C3GA C03V 100.1(14) . 2_666 ?
C2CA C3GA C3EA 6.8(11) . 2_666 ?
C2CA C3GA C2GA 108.2(7) . . ?
C7FA C3GA C03V 128(2) . 2_666 ?
C7FA C3GA C3EA 126.6(11) . 2_666 ?
C7FA C3GA C2GA 120.5(18) . . ?
C7FA C3GA C2CA 120.0(7) . . ?
C1EA C14O C5GA 111(2) 2_666 . ?
C4DA C14O C1EA 115(3) 2_666 2_666 ?
C4DA C14O C2FA 129(3) 2_666 2_666 ?
C4DA C14O C140 108(2) 2_666 . ?
C4DA C14O C1 5(2) 2_666 . ?
C4DA C14O C5GA 129(3) 2_666 . ?
C2FA C14O C1EA 113(2) 2_666 2_666 ?
C2FA C14O C140 117(2) 2_666 . ?
C2FA C14O C1 126(2) 2_666 . ?
C2FA C14O C5GA 7(2) 2_666 . ?
C3DA C14O C1EA 59(9) 2_666 2_666 ?
C3DA C14O C4DA 153(10) 2_666 2_666 ?
C3DA C14O C2FA 70(10) 2_666 2_666 ?
C3DA C14O C140 68(10) 2_666 . ?
C3DA C14O C1 158(10) 2_666 . ?
C3DA C14O C5GA 73(10) 2_666 . ?
C140 C14O C1EA 8.9(13) . 2_666 ?
C140 C14O C5GA 113(2) . . ?
C1 C14O C1EA 116.6(18) . 2_666 ?
C1 C14O C140 109.7(15) . . ?
C1 C14O C5GA 125.1(19) . . ?
C8CA C8EA C5FA 119.6(15) . 2_666 ?
C8CA C8EA C7BA 127.8(15) . 2_666 ?
C8CA C8EA C7DA 113.1(13) . . ?
C6FA C8EA C8CA 164(7) 2_666 . ?
C6FA C8EA C5FA 46(5) 2_666 2_666 ?
C6FA C8EA C7BA 58(5) 2_666 2_666 ?
C6FA C8EA C0FA 157(8) 2_666 2_666 ?
C6FA C8EA C1DA 53(6) 2_666 . ?
C6FA C8EA C7DA 73(6) 2_666 . ?
C7BA C8EA C5FA 100.6(14) 2_666 2_666 ?
C0FA C8EA C8CA 7.1(14) 2_666 . ?
C0FA C8EA C5FA 112(2) 2_666 2_666 ?
C0FA C8EA C7BA 132(2) 2_666 2_666 ?
C0FA C8EA C1DA 105.8(17) 2_666 . ?
C0FA C8EA C7DA 118.0(19) 2_666 . ?
C1DA C8EA C8CA 112.8(13) . . ?
C1DA C8EA C5FA 7.2(10) . 2_666 ?
C1DA C8EA C7BA 107.6(13) . 2_666 ?
C1DA C8EA C7DA 120.5(12) . . ?
C7DA C8EA C5FA 113.9(14) . 2_666 ?
C7DA C8EA C7BA 15.1(8) . 2_666 ?
C6FA C7DA C6BA 101.1(14) 2_666 2_666 ?
C6FA C7DA C8DA 135.4(13) 2_666 . ?
C6FA C7DA C0GA 106.7(12) 2_666 . ?
C6FA C7DA C8EA 12.2(10) 2_666 . ?
C7BA C7DA C6BA 31(4) 2_666 2_666 ?
C7BA C7DA C6FA 82(4) 2_666 2_666 ?
C7BA C7DA C8DA 141(4) 2_666 . ?
C7BA C7DA C0GA 35(5) 2_666 . ?
C7BA C7DA C8EA 94(4) 2_666 . ?
C7BA C7DA C0DA 128(5) 2_666 2_666 ?
C8DA C7DA C6BA 113.6(11) . 2_666 ?
C0GA C7DA C6BA 5.7(10) . 2_666 ?
C0GA C7DA C8DA 108.1(7) . . ?
C0GA C7DA C8EA 118.2(11) . . ?
C8EA C7DA C6BA 112.7(12) . 2_666 ?
C8EA C7DA C8DA 123.9(12) . . ?
C0DA C7DA C6BA 102.6(18) 2_666 2_666 ?
C0DA C7DA C6FA 147.9(19) 2_666 2_666 ?
C0DA C7DA C8DA 12.8(11) 2_666 . ?
C0DA C7DA C0GA 97.0(14) 2_666 . ?
C0DA C7DA C8EA 136.6(15) 2_666 . ?
C7CA C7FA C8FA 112.5(17) 2_666 . ?
C7CA C7FA C4EA 115(2) 2_666 2_666 ?
C7CA C7FA C8BA 5(2) 2_666 . ?
C7CA C7FA C1CA 124(2) 2_666 2_666 ?
C7CA C7FA C3GA 113(2) 2_666 . ?
C8FA C7FA C4EA 118.4(12) . 2_666 ?
C8FA C7FA C1CA 13.8(9) . 2_666 ?
C5EA C7FA C7CA 133(9) 2_666 2_666 ?
C5EA C7FA C8FA 103(5) 2_666 . ?
C5EA C7FA C4EA 18(6) 2_666 2_666 ?
C5EA C7FA C8BA 138(8) 2_666 . ?
C5EA C7FA C1CA 89(5) 2_666 2_666 ?
C5EA C7FA C3GA 20(6) 2_666 . ?
C8BA C7FA C8FA 108.1(7) . . ?
C8BA C7FA C4EA 120.2(19) . 2_666 ?
C8BA C7FA C1CA 120.3(13) . 2_666 ?
C8BA C7FA C3GA 118.6(19) . . ?
C1CA C7FA C4EA 104.9(16) 2_666 2_666 ?
C3GA C7FA C8FA 120.2(7) . . ?
C3GA C7FA C4EA 1.9(11) . 2_666 ?
C3GA C7FA C1CA 106.8(10) . 2_666 ?
C03M C0DA C5DA 115.2(16) . 2_666 ?
C03M C0DA C0GA 75.1(11) . 2_666 ?
C5DA C0DA C0GA 144.3(17) 2_666 2_666 ?
C7BA C0DA C03M 110.0(12) . . ?
C7BA C0DA C5DA 121.7(12) . 2_666 ?
C7BA C0DA C0GA 34.9(9) . 2_666 ?
C8DA C0DA C03M 101(5) 2_666 . ?
C8DA C0DA C5DA 19(3) 2_666 2_666 ?
C8DA C0DA C7BA 141(4) 2_666 . ?
C8DA C0DA C9DA 90(5) 2_666 2_666 ?
C8DA C0DA C0GA 158(6) 2_666 2_666 ?
C8DA C0DA C7EA 21(4) 2_666 . ?
C8DA C0DA C7DA 129(5) 2_666 2_666 ?
C9DA C0DA C03M 11.8(12) 2_666 . ?
C9DA C0DA C5DA 104.3(16) 2_666 2_666 ?
C9DA C0DA C7BA 121.4(15) 2_666 . ?
C9DA C0DA C0GA 86.7(13) 2_666 2_666 ?
C7EA C0DA C03M 117.9(16) . . ?
C7EA C0DA C5DA 2.8(17) . 2_666 ?
C7EA C0DA C7BA 119.6(7) . . ?
C7EA C0DA C9DA 107.1(16) . 2_666 ?
C7EA C0DA C0GA 143.8(13) . 2_666 ?
C7DA C0DA C03M 121.0(16) 2_666 . ?
C7DA C0DA C5DA 109.7(17) 2_666 2_666 ?
C7DA C0DA C7BA 12.4(11) 2_666 . ?
C7DA C0DA C9DA 132(2) 2_666 2_666 ?
C7DA C0DA C0GA 46.5(9) 2_666 2_666 ?
C7DA C0DA C7EA 107.6(12) 2_666 . ?
C03W C5 C2FA 102.9(15) 2_666 2_666 ?
C4GA C5 C03W 134(3) 2_666 2_666 ?
C4GA C5 C2FA 114(2) 2_666 2_666 ?
C4GA C5 C1GA 123.3(18) 2_666 . ?
C4GA C5 C4 4.9(19) 2_666 . ?
C4GA C5 C5GA 107.1(16) 2_666 . ?
C4FA C5 C03W 54(5) 2_666 2_666 ?
C4FA C5 C4GA 161(7) 2_666 2_666 ?
C4FA C5 C2FA 51(5) 2_666 2_666 ?
C4FA C5 C1GA 63(6) 2_666 . ?
C4FA C5 C4 159(7) 2_666 . ?
C4FA C5 C5GA 58(5) 2_666 . ?
C1GA C5 C03W 10.9(13) . 2_666 ?
C1GA C5 C2FA 109.8(17) . 2_666 ?
C4 C5 C03W 130.7(15) . 2_666 ?
C4 C5 C2FA 114.0(15) . 2_666 ?
C4 C5 C1GA 119.9(8) . . ?
C4 C5 C5GA 107.1(7) . . ?
C5GA C5 C03W 109.4(16) . 2_666 ?
C5GA C5 C2FA 7.0(13) . 2_666 ?
C5GA C5 C1GA 115.8(17) . . ?
C5FA C4CA C8FA 102.9(14) 2_666 2_666 ?
C6EA C4CA C5FA 118.5(14) . 2_666 ?
C6EA C4CA C8FA 124.1(11) . 2_666 ?
C9FA C4CA C5FA 68(5) 2_666 2_666 ?
C9FA C4CA C6EA 152(7) 2_666 . ?
C9FA C4CA C8FA 36(5) 2_666 2_666 ?
C9FA C4CA C1DA 78(6) 2_666 . ?
C9FA C4CA C6 148(8) 2_666 2_666 ?
C9FA C4CA C1CA 41(5) 2_666 . ?
C1DA C4CA C5FA 10.5(11) . 2_666 ?
C1DA C4CA C6EA 108.4(11) . . ?
C1DA C4CA C8FA 112.5(14) . 2_666 ?
C6 C4CA C5FA 119(2) 2_666 2_666 ?
C6 C4CA C6EA 3.9(16) 2_666 . ?
C6 C4CA C8FA 121(2) 2_666 2_666 ?
C6 C4CA C1DA 108.8(17) 2_666 . ?
C6 C4CA C1CA 116.5(16) 2_666 . ?
C1CA C4CA C5FA 108.2(15) . 2_666 ?
C1CA C4CA C6EA 119.4(8) . . ?
C1CA C4CA C8FA 5.4(11) . 2_666 ?
C1CA C4CA C1DA 117.7(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_exp_9657_auto_sqd_sqd_sqd
_database_code_depnum_ccdc_archive 'CCDC 2191568'
loop_
_audit_author_name
_audit_author_address
'fang pengwei'
;University of Science and Technology of China
China
;
_audit_update_record             
;
2022-07-20 deposited with the CCDC.	2023-04-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C315 H110'
_chemical_formula_weight         3894.02

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   20.6555(2)
_cell_length_b                   38.6556(5)
_cell_length_c                   25.2345(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.3310(10)
_cell_angle_gamma                90
_cell_volume                     19431.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    128766
_cell_measurement_theta_min      2.495
_cell_measurement_theta_max      69.609

_exptl_crystal_description       Block
_exptl_crystal_colour            Black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_F_000             8000
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    0.584
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.79378
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            128766
_diffrn_reflns_av_unetI/netI     0.0563
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.495
_diffrn_reflns_theta_max         69.609
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             35548
_reflns_number_gt                26862
_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       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_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)+(0.3000P)²+45.0000P] 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         35548
_refine_ls_number_parameters     3790
_refine_ls_number_restraints     3508
_refine_ls_R_factor_all          0.1629
_refine_ls_R_factor_gt           0.1416
_refine_ls_wR_factor_ref         0.4408
_refine_ls_wR_factor_gt          0.4175
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.006
_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
C004 C 0.6387(2) 0.49610(12) 0.29802(17) 0.0269(9) Uani 1 1 d . . . A 2
H004 H 0.668092 0.485384 0.279677 0.032 Uiso 1 1 calc R U . A 2
C005 C 0.6166(2) 0.43877(12) 0.33307(17) 0.0264(9) Uani 1 1 d . . . A 2
C006 C 0.6192(2) 0.53021(12) 0.28595(17) 0.0291(9) Uani 1 1 d . . . A 2
H006 H 0.636456 0.542622 0.260203 0.035 Uiso 1 1 calc R U . A 2
C007 C 0.4794(2) 0.37413(11) 0.27224(17) 0.0244(8) Uani 1 1 d . . . A 2
C008 C 0.6072(2) 0.35685(11) 0.19029(17) 0.0253(9) Uani 1 1 d . . . A 2
H008 H 0.641588 0.373548 0.192770 0.030 Uiso 1 1 calc R U . A 2
C009 C 0.6156(2) 0.47720(12) 0.33699(16) 0.0256(9) Uani 1 1 d . . . A 2
C00A C 0.7419(2) 0.43555(11) 0.34943(17) 0.0264(9) Uani 1 1 d . . . A 2
C00B C 0.5540(2) 0.42197(11) 0.31859(16) 0.0230(8) Uani 1 1 d . . . A 2
C00C C 0.5146(2) 0.30448(11) 0.18336(18) 0.0278(9) Uani 1 1 d . . . A 2
H00C H 0.484956 0.285461 0.181477 0.033 Uiso 1 1 calc R U . A 2
C00E C 0.2364(2) 0.57220(13) -0.17784(18) 0.0302(10) Uani 1 1 d . . . A 2
H00E H 0.273247 0.586683 -0.178807 0.036 Uiso 1 1 calc R U . A 2
C00F C 0.3869(2) 0.31867(13) -0.02581(19) 0.0331(10) Uani 1 1 d . . . A 2
C00G C 0.6689(2) 0.38717(11) 0.30531(16) 0.0229(8) Uani 1 1 d . . . A 2
C00H C 0.6748(2) 0.42039(12) 0.32989(16) 0.0249(9) Uani 1 1 d . . . A 2
C00I C 0.5810(2) 0.49549(13) 0.36814(17) 0.0300(10) Uani 1 1 d . . . A 2
H00I H 0.571154 0.484548 0.398795 0.036 Uiso 1 1 calc R U . A 2
C00J C 0.6041(2) 0.37215(11) 0.28403(16) 0.0236(8) Uani 1 1 d . . . A 2
C00K C 0.4887(2) 0.43999(12) 0.31611(17) 0.0264(9) Uani 1 1 d . . . A 2
C00L C 0.7298(2) 0.36990(12) 0.29931(16) 0.0266(9) Uani 1 1 d . . . A 2
C00M C 0.5606(2) 0.52925(13) 0.35566(18) 0.0307(9) Uani 1 1 d . . . A 2
H00M H 0.536609 0.540975 0.377605 0.037 Uiso 1 1 calc R U . A 2
C00N C 0.7354(2) 0.33402(13) 0.29969(18) 0.0320(10) Uani 1 1 d . . . A 2
H00N H 0.697638 0.320458 0.301286 0.038 Uiso 1 1 calc R U . A 2
C00O C 0.5899(2) 0.34660(11) 0.23804(17) 0.0243(8) Uani 1 1 d . . . A 2
C00P C 0.7928(2) 0.42396(13) 0.32578(17) 0.0295(10) Uani 1 1 d . . . A 2
C00Q C 0.2108(2) 0.60875(12) -0.10534(19) 0.0304(10) Uani 1 1 d . . . A 2
C00R C 0.7587(2) 0.45772(12) 0.39478(17) 0.0270(9) Uani 1 1 d . . . A 2
H00R H 0.725080 0.464018 0.412373 0.032 Uiso 1 1 calc R U . A 2
C00S C 0.5246(2) 0.31800(12) 0.13495(18) 0.0284(9) Uani 1 1 d . . . A 2
C00T C 0.5752(2) 0.34311(11) 0.13990(17) 0.0251(9) Uani 1 1 d . . . A 2
H00T H 0.587341 0.350669 0.108030 0.030 Uiso 1 1 calc R U . A 2
C00U C 0.2727(2) 0.33335(13) -0.0859(2) 0.0342(10) Uani 1 1 d . . . A 2
H00U H 0.252055 0.318556 -0.065168 0.041 Uiso 1 1 calc R U . A 2
C00V C 0.1778(2) 0.51807(14) -0.19961(17) 0.0318(10) Uani 1 1 d . . . A 2
C00W C 0.3421(2) 0.33205(12) -0.07758(18) 0.0304(10) Uani 1 1 d . . . A 2
C00X C 0.5748(2) 0.54657(13) 0.31078(18) 0.0306(10) Uani 1 1 d . . . A 2
C00Y C 0.5484(2) 0.38848(12) 0.29529(16) 0.0247(9) Uani 1 1 d . . . A 2
C00Z C 0.1867(2) 0.47984(13) -0.20115(18) 0.0312(10) Uani 1 1 d . . . A 2
C010 C 0.3466(2) 0.35071(13) 0.22784(18) 0.0308(10) Uani 1 1 d . . . A 2
C011 C 0.3200(2) 0.64862(13) 0.0522(2) 0.0346(10) Uani 1 1 d . . . A 2
C012 C 0.4466(2) 0.42959(12) 0.34679(18) 0.0293(9) Uani 1 1 d . . . A 2
H012 H 0.462312 0.413349 0.375572 0.035 Uiso 1 1 calc R U . A 2
C013 C 0.4655(2) 0.46504(12) 0.27620(18) 0.0283(9) Uani 1 1 d . . . A 2
H013 H 0.494549 0.473528 0.255585 0.034 Uiso 1 1 calc R U . A 2
C014 C 0.7860(2) 0.39019(13) 0.29947(17) 0.0303(10) Uani 1 1 d . . . A 2
C015 C 0.4417(2) 0.38456(12) 0.21999(17) 0.0277(9) Uani 1 1 d . . . A 2
H015 H 0.461135 0.399843 0.199056 0.033 Uiso 1 1 calc R U . A 2
C016 C 0.1889(2) 0.58359(13) -0.15170(19) 0.0320(10) Uani 1 1 d . . . A 2
C017 C 0.2229(2) 0.46264(14) -0.23296(18) 0.0330(10) Uani 1 1 d . . . A 2
H017 H 0.233548 0.474378 -0.262645 0.040 Uiso 1 1 calc R U . A 2
C018 C 0.9464(2) 0.17328(13) 0.5374(2) 0.0386(11) Uani 1 1 d . . . A 2
C019 C 0.3297(2) 0.37200(12) -0.15403(18) 0.0293(9) Uani 1 1 d . . . A 2
H019 H 0.348723 0.383276 -0.179796 0.035 Uiso 1 1 calc R U . A 2
C01A C 0.2431(2) 0.42905(14) -0.22165(19) 0.0336(10) Uani 1 1 d . . . A 2
H01A H 0.267470 0.417977 -0.243964 0.040 Uiso 1 1 calc R U . A 2
C01B C 0.2590(2) 0.63473(13) -0.1023(2) 0.0346(10) Uani 1 1 d . . . A 2
H01B H 0.269696 0.642040 -0.134959 0.042 Uiso 1 1 calc R U . A 2
C01C C 0.4556(2) 0.31298(14) -0.0198(2) 0.0359(11) Uani 1 1 d . . . A 2
H01C H 0.471859 0.310965 -0.051515 0.043 Uiso 1 1 calc R U . A 2
C01D C 0.5629(3) 0.60317(13) 0.25868(19) 0.0332(10) Uani 1 1 d . . . A 2
H01D H 0.610238 0.606020 0.267357 0.040 Uiso 1 1 calc R U . A 2
C01E C 0.2335(2) 0.35561(13) -0.1236(2) 0.0345(10) Uani 1 1 d . . . A 2
H01E H 0.186245 0.355863 -0.128562 0.041 Uiso 1 1 calc R U . A 2
C01F C 0.3773(2) 0.37318(13) 0.19852(19) 0.0326(10) Uani 1 1 d . . . A 2
H01F H 0.353005 0.380705 0.162987 0.039 Uiso 1 1 calc R U . A 2
C01H C 0.3563(2) 0.46580(12) 0.29484(19) 0.0296(9) Uani 1 1 d . . . A 2
C01I C 0.3887(3) 0.65326(13) 0.0606(2) 0.0354(10) Uani 1 1 d . . . A 2
H01I H 0.406403 0.659506 0.030769 0.043 Uiso 1 1 calc R U . A 2
C01J C 0.5470(2) 0.31817(11) 0.23424(17) 0.0260(9) Uani 1 1 d . . . A 2
H01J H 0.540140 0.308172 0.266698 0.031 Uiso 1 1 calc R U . A 2
C01K C 0.4493(2) 0.35160(13) 0.30160(18) 0.0285(9) Uani 1 1 d . . . A 2
H01K H 0.473744 0.343885 0.336957 0.034 Uiso 1 1 calc R U . A 2
C01L C 0.4009(2) 0.47784(13) 0.26596(18) 0.0306(10) Uani 1 1 d . . . A 2
H01L H 0.386494 0.495177 0.238709 0.037 Uiso 1 1 calc R U . A 2
C01M C 0.5352(2) 0.57612(12) 0.28357(19) 0.0314(10) Uani 1 1 d . . . A 2
C01N C 0.7942(2) 0.31737(14) 0.29784(19) 0.0351(11) Uani 1 1 d . . . A 2
C01O C 0.2910(2) 0.64977(13) -0.0532(2) 0.0362(11) Uani 1 1 d . . . A 2
H01O H 0.323721 0.667146 -0.052474 0.043 Uiso 1 1 calc R U . A 2
C01P C 0.3652(3) 0.31724(15) 0.0218(2) 0.0375(11) Uani 1 1 d . . . A 2
H01P H 0.318541 0.318753 0.018950 0.045 Uiso 1 1 calc R U . A 2
C01Q C 0.3841(2) 0.34033(13) 0.2799(2) 0.0331(10) Uani 1 1 d . . . A 2
H01Q H 0.364357 0.325201 0.300890 0.040 Uiso 1 1 calc R U . A 2
C01R C 0.4313(2) 0.64869(12) 0.1128(2) 0.0325(10) Uani 1 1 d . . . A 2
H01R H 0.478079 0.652357 0.118282 0.039 Uiso 1 1 calc R U . A 2
C01S C 0.2291(2) 0.41050(13) -0.17827(18) 0.0319(10) Uani 1 1 d . . . A 2
C01T C 0.2305(2) 0.53984(13) -0.20252(17) 0.0296(10) Uani 1 1 d . . . A 2
H01T H 0.262300 0.532553 -0.221354 0.036 Uiso 1 1 calc R U . A 2
C01U C 0.4077(2) 0.63891(12) 0.1575(2) 0.0331(10) Uani 1 1 d . . . A 2
C01V C 0.4522(2) 0.62193(12) 0.2068(2) 0.0316(10) Uani 1 1 d . . . A 2
C01W C 0.2766(2) 0.64017(13) -0.0040(2) 0.0317(10) Uani 1 1 d . . . A 2
C01X C 0.4792(2) 0.31187(12) 0.07942(19) 0.0307(10) Uani 1 1 d . . . A 2
C01Y C 0.2625(2) 0.37811(13) -0.15514(19) 0.0324(10) Uani 1 1 d . . . A 2
C01Z C 0.4098(3) 0.31368(14) 0.0733(2) 0.0361(11) Uani 1 1 d . . . A 2
H01Z H 0.393130 0.312446 0.104915 0.043 Uiso 1 1 calc R U . A 2
C020 C 0.1677(2) 0.46065(13) -0.16053(18) 0.0311(10) Uani 1 1 d . . . A 2
H020 H 0.140174 0.471046 -0.140226 0.037 Uiso 1 1 calc R U . A 2
C021 C 0.3685(2) 0.34973(13) -0.11577(19) 0.0309(10) Uani 1 1 d . . . A 2
H021 H 0.414155 0.346280 -0.115278 0.037 Uiso 1 1 calc R U . A 2
C022 C 0.1239(2) 0.53206(14) -0.1829(2) 0.0349(11) Uani 1 1 d . . . A 2
H022 H 0.083277 0.519386 -0.187930 0.042 Uiso 1 1 calc R U . A 2
C023 C 0.5216(2) 0.62554(12) 0.22177(19) 0.0320(10) Uani 1 1 d . . . A 2
H023 H 0.541333 0.643837 0.206286 0.038 Uiso 1 1 calc R U . A 2
C024 C 0.2237(2) 0.61642(14) -0.0079(2) 0.0363(11) Uani 1 1 d . . . A 2
H024 H 0.210225 0.610708 0.024232 0.044 Uiso 1 1 calc R U . A 2
C025 C 0.8236(2) 0.47086(13) 0.41496(19) 0.0338(10) Uani 1 1 d . . . A 2
C026 C 0.1914(2) 0.60137(14) -0.0571(2) 0.0364(11) Uani 1 1 d . . . A 2
H026 H 0.155420 0.585764 -0.058566 0.044 Uiso 1 1 calc R U . A 2
C027 C 0.2828(2) 0.47829(14) 0.2785(2) 0.0367(11) Uani 1 1 d . . . A 2
C028 C 0.9834(3) 0.17395(15) 0.5959(2) 0.0438(12) Uani 1 1 d . . . A 2
C029 C 0.3811(2) 0.44218(13) 0.33696(19) 0.0318(10) Uani 1 1 d . . . A 2
H029 H 0.353292 0.434569 0.359194 0.038 Uiso 1 1 calc R U . A 2
C02A C 0.5003(2) 0.31026(13) 0.03212(18) 0.0338(10) Uani 1 1 d . . . A 2
H02A H 0.546681 0.307191 0.034952 0.041 Uiso 1 1 calc R U . A 2
C02B C 0.8685(2) 0.46523(15) 0.38198(19) 0.0403(12) Uani 1 1 d . . . A 2
H02B H 0.909405 0.477880 0.389573 0.048 Uiso 1 1 calc R U . A 2
C02C C 0.2745(2) 0.33727(14) 0.2048(2) 0.0394(11) Uani 1 1 d . . . A 2
C02D C 0.8482(2) 0.48288(14) 0.47243(19) 0.0356(11) Uani 1 1 d . . . A 2
C02E C 0.8545(2) 0.44196(15) 0.33931(19) 0.0367(11) Uani 1 1 d . . . A 2
H02E H 0.886357 0.437962 0.318871 0.044 Uiso 1 1 calc R U . A 2
C02F C 0.8406(2) 0.37369(15) 0.28597(19) 0.0381(12) Uani 1 1 d . . . A 2
H02F H 0.875292 0.387165 0.277937 0.046 Uiso 1 1 calc R U . A 2
C02G C 0.1302(2) 0.56452(14) -0.1589(2) 0.0359(11) Uani 1 1 d . . . A 2
H02G H 0.093768 0.573917 -0.147260 0.043 Uiso 1 1 calc R U . A 2
C02H C 0.3377(3) 0.64070(13) 0.1497(2) 0.0384(11) Uani 1 1 d . . . A 2
H02H H 0.319878 0.638791 0.180632 0.046 Uiso 1 1 calc R U . A 2
C02I C 0.2946(3) 0.64515(13) 0.0983(2) 0.0370(11) Uani 1 1 d . . . A 2
H02I H 0.247574 0.645874 0.094044 0.044 Uiso 1 1 calc R U . A 2
C02J C 0.8436(3) 0.33853(16) 0.2845(2) 0.0421(12) Uani 1 1 d . . . A 2
H02J H 0.879869 0.327871 0.274145 0.050 Uiso 1 1 calc R U . A 2
C02K C 0.8801(3) 0.19852(13) 0.4327(2) 0.0397(12) Uani 1 1 d . . . A 2
C02L C 0.1885(2) 0.42706(14) -0.14969(19) 0.0330(10) Uani 1 1 d . . . A 2
H02L H 0.174943 0.414692 -0.121918 0.040 Uiso 1 1 calc R U . A 2
C02M C 0.8047(3) 0.49039(14) 0.5058(2) 0.0390(11) Uani 1 1 d . . . A 2
H02M H 0.758126 0.493677 0.489483 0.047 Uiso 1 1 calc R U . A 2
C02N C 0.8781(3) 0.18160(13) 0.5245(2) 0.0413(12) Uani 1 1 d . . . A 2
H02N H 0.853545 0.179053 0.551219 0.050 Uiso 1 1 calc R U . A 2
C02O C 0.9777(3) 0.17288(13) 0.4954(2) 0.0420(12) Uani 1 1 d . . . A 2
H02O H 1.021939 0.163855 0.502190 0.050 Uiso 1 1 calc R U . A 2
C02P C 0.9462(3) 0.18531(14) 0.4441(2) 0.0425(12) Uani 1 1 d . . . A 2
H02P H 0.969024 0.185037 0.415969 0.051 Uiso 1 1 calc R U . A 2
C02Q C 0.8466(3) 0.19363(14) 0.4722(2) 0.0411(12) Uani 1 1 d . . . A 2
H02Q H 0.799917 0.198668 0.463525 0.049 Uiso 1 1 calc R U . A 2
C02R C 0.4657(3) 0.57461(13) 0.2713(2) 0.0372(11) Uani 1 1 d . . . A 2
H02R H 0.445483 0.558145 0.289820 0.045 Uiso 1 1 calc R U . A 2
C02S C 1.0469(3) 0.19031(15) 0.6104(2) 0.0434(12) Uani 1 1 d . . . A 2
H02S H 1.072963 0.191365 0.584528 0.052 Uiso 1 1 calc R U . A 2
C02T C 0.9403(3) 0.48470(17) 0.5542(2) 0.0447(13) Uani 1 1 d . . . A 2
H02T H 0.987391 0.483934 0.570345 0.054 Uiso 1 1 calc R U . A 2
C02U C 0.4251(3) 0.59606(14) 0.2333(2) 0.0393(11) Uani 1 1 d . . . A 2
H02U H 0.377805 0.593279 0.224791 0.047 Uiso 1 1 calc R U . A 2
C02V C 0.8302(3) 0.49295(14) 0.5625(2) 0.0389(11) Uani 1 1 d . . . A 2
H02V H 0.800253 0.497933 0.584305 0.047 Uiso 1 1 calc R U . A 2
C02W C 1.0711(3) 0.20478(16) 0.6619(2) 0.0457(13) Uani 1 1 d . . . A 2
H02W H 1.113435 0.216140 0.670672 0.055 Uiso 1 1 calc R U . A 2
C02X C 0.9167(3) 0.48200(16) 0.4977(2) 0.0423(13) Uani 1 1 d . . . A 2
H02X H 0.947568 0.479511 0.476010 0.051 Uiso 1 1 calc R U . A 2
C02Y C 1.0406(3) 0.3354(2) 0.7941(2) 0.0529(16) Uani 1 1 d . . . A 2
C02Z C 1.0063(3) 0.40604(18) 0.7694(2) 0.0480(15) Uani 1 1 d . . . A 2
C030 C 0.8106(3) 0.28159(16) 0.3186(2) 0.0423(12) Uani 1 1 d . . . A 2
C031 C 0.8532(3) 0.22180(14) 0.3857(2) 0.0423(12) Uani 1 1 d . . . A 2
C032 C 0.8836(3) 0.46421(17) 0.6753(2) 0.0452(13) Uani 1 1 d . . . A 2
H032 H 0.836326 0.467102 0.663139 0.054 Uiso 1 1 calc R U . A 2
C033 C 1.0350(3) 0.20308(18) 0.7011(2) 0.0508(15) Uani 1 1 d . . . A 2
C034 C 0.2414(3) 0.46142(16) 0.3141(3) 0.0464(13) Uani 1 1 d . . . A 2
H03A H 0.241193 0.436261 0.309355 0.070 Uiso 1 1 calc R U . A 2
H03B H 0.195181 0.470125 0.302792 0.070 Uiso 1 1 calc R U . A 2
H03C H 0.261309 0.467154 0.352826 0.070 Uiso 1 1 calc R U . A 2
C035 C 0.9245(3) 0.48068(16) 0.6473(2) 0.0418(12) Uani 1 1 d . . . A 2
C036 C 1.0813(3) 0.3571(2) 0.7728(2) 0.0557(17) Uani 1 1 d . . . A 2
H036 H 1.121491 0.348127 0.766597 0.067 Uiso 1 1 calc R U . A 2
C037 C 0.8975(3) 0.48851(15) 0.5881(2) 0.0408(12) Uani 1 1 d . . . A 2
C038 C 0.9107(3) 0.44370(17) 0.7206(2) 0.0445(13) Uani 1 1 d . . . A 2
H038 H 0.881687 0.433198 0.739470 0.053 Uiso 1 1 calc R U . A 2
C039 C 0.9797(3) 0.43805(18) 0.7393(2) 0.0469(14) Uani 1 1 d . . . A 2
C03A C 0.2813(3) 0.51718(16) 0.2853(3) 0.0477(13) Uani 1 1 d . . . A 2
H03D H 0.305014 0.523391 0.323142 0.072 Uiso 1 1 calc R U . A 2
H03E H 0.234560 0.525014 0.277523 0.072 Uiso 1 1 calc R U . A 2
H03F H 0.303185 0.528308 0.259793 0.072 Uiso 1 1 calc R U . A 2
C03B C 1.0202(3) 0.4607(2) 0.7183(2) 0.0538(16) Uani 1 1 d . . . A 2
H03G H 1.067103 0.461693 0.735196 0.065 Uiso 1 1 calc R U . A 2
C03D C 1.0480(3) 0.2972(2) 0.7896(2) 0.0589(17) Uani 1 1 d . . . A 2
C03E C 0.9704(3) 0.3848(2) 0.7967(2) 0.0547(17) Uani 1 1 d . . . A 2
H03H H 0.933115 0.394436 0.807022 0.066 Uiso 1 1 calc R U . A 2
C03F C 1.0647(3) 0.3915(2) 0.7604(2) 0.0533(16) Uani 1 1 d . . . A 2
H03I H 1.093341 0.405441 0.745414 0.064 Uiso 1 1 calc R U . A 2
C03G C 0.9929(3) 0.48138(19) 0.6740(2) 0.0524(16) Uani 1 1 d . . . A 2
H03J H 1.021334 0.496635 0.660975 0.063 Uiso 1 1 calc R U . A 2
C03H C 0.9537(3) 0.16715(18) 0.6384(3) 0.0557(16) Uani 1 1 d . . . A 2
H03K H 0.915011 0.152817 0.631681 0.067 Uiso 1 1 calc R U . A 2
C03I C 1.0453(3) 0.2314(2) 0.7424(2) 0.0572(17) Uani 1 1 d . . . A 2
C03J C 0.2519(3) 0.46785(19) 0.2187(3) 0.0537(15) Uani 1 1 d . . . A 2
H03L H 0.277778 0.478280 0.195337 0.081 Uiso 1 1 calc R U . A 2
H03M H 0.205387 0.475988 0.206945 0.081 Uiso 1 1 calc R U . A 2
H03N H 0.252851 0.442607 0.215407 0.081 Uiso 1 1 calc R U . A 2
C03K C 0.7653(3) 0.25974(15) 0.3347(3) 0.0505(14) Uani 1 1 d . . . A 2
H03O H 0.718798 0.265112 0.322974 0.061 Uiso 1 1 calc R U . A 2
C03L C 0.8975(3) 0.24189(19) 0.3658(3) 0.0561(17) Uani 1 1 d . . . A 2
H03P H 0.943461 0.235459 0.374567 0.067 Uiso 1 1 calc R U . A 2
C03M C 0.9866(3) 0.3507(2) 0.8093(2) 0.0541(16) Uani 1 1 d . . . A 2
H03Q H 0.961113 0.337486 0.828326 0.065 Uiso 1 1 calc R U . A 2
C03N C 0.7851(3) 0.23057(15) 0.3670(3) 0.0490(14) Uani 1 1 d . . . A 2
H03R H 0.752250 0.216449 0.376519 0.059 Uiso 1 1 calc R U . A 2
C03O C 1.1059(3) 0.2819(2) 0.7839(3) 0.0580(17) Uani 1 1 d . . . A 2
H03S H 1.147280 0.293980 0.796071 0.070 Uiso 1 1 calc R U . A 2
C03P C 0.9898(3) 0.2760(2) 0.7770(3) 0.065(2) Uani 1 1 d . . . A 2
H03T H 0.949882 0.284714 0.784132 0.078 Uiso 1 1 calc R U . A 2
C03R C 0.9799(3) 0.1810(2) 0.6901(3) 0.0595(17) Uani 1 1 d . . . A 2
H03U H 0.959843 0.175379 0.718817 0.071 Uiso 1 1 calc R U . A 2
C03S C 1.1057(3) 0.2502(2) 0.7613(3) 0.0623(19) Uani 1 1 d . . . A 2
H03V H 1.146648 0.240386 0.758168 0.075 Uiso 1 1 calc R U . A 2
C03T C 0.8769(3) 0.27100(19) 0.3335(3) 0.0596(17) Uani 1 1 d . . . A 2
H03W H 0.909274 0.284004 0.321359 0.072 Uiso 1 1 calc R U . A 2
C03V C 0.9887(3) 0.2445(2) 0.7556(3) 0.0583(17) Uani 1 1 d . . . A 2
H03X H 0.949080 0.230915 0.749202 0.070 Uiso 1 1 calc R U . A 2
C03Y C 0.6328(4) 0.09494(18) 0.1244(3) 0.0609(18) Uani 1 1 d . . . B 3
C03Z C 0.8037(4) 0.12370(17) 0.1867(3) 0.0545(15) Uani 1 1 d . . . B 3
C040 C 0.6859(4) 0.10439(17) 0.1657(4) 0.0646(19) Uani 1 1 d . . . B 3
C041 C 0.5532(3) 0.20750(18) 0.1238(3) 0.0566(16) Uani 1 1 d . . . B 3
C044 C 0.7696(4) 0.26498(18) 0.0807(3) 0.0589(16) Uani 1 1 d . . . B 3
C047 C 0.6529(3) 0.26304(15) 0.0353(3) 0.0502(14) Uani 1 1 d . . . B 3
C04A C 0.7917(4) 0.14896(18) 0.2235(3) 0.0576(16) Uani 1 1 d . . . B 3
C04B C 0.2322(3) 0.3460(2) 0.2435(3) 0.073(2) Uani 1 1 d . . . A 2
H04A H 0.248537 0.333007 0.277795 0.110 Uiso 1 1 calc R U . A 2
H04B H 0.185316 0.339827 0.226404 0.110 Uiso 1 1 calc R U . A 2
H04C H 0.235341 0.370860 0.251465 0.110 Uiso 1 1 calc R U . A 2
C04D C 0.8308(4) 0.1797(2) 0.2206(3) 0.0652(19) Uani 1 1 d . . . B 3
C04G C 0.6095(3) 0.22625(17) -0.0428(2) 0.0529(15) Uani 1 1 d . . . B 3
C04H C 0.7314(4) 0.27185(19) 0.1211(3) 0.0600(16) Uani 1 1 d . . . B 3
C04I C 0.2781(4) 0.2987(2) 0.1974(4) 0.080(2) Uani 1 1 d . . . A 2
H04D H 0.309919 0.293575 0.175730 0.120 Uiso 1 1 calc R U . A 2
H04E H 0.233551 0.289980 0.178102 0.120 Uiso 1 1 calc R U . A 2
H04F H 0.293078 0.287605 0.233417 0.120 Uiso 1 1 calc R U . A 2
C04J C 0.5627(3) 0.23460(16) 0.0873(3) 0.0534(15) Uani 1 1 d . . . B 3
C04K C 0.6134(4) 0.15152(19) 0.1849(3) 0.0601(17) Uani 1 1 d . . . B 3
C04L C 0.5098(4) 0.1709(2) 0.0456(4) 0.0659(18) Uani 1 1 d . . . B 3
C04N C 0.7541(4) 0.10061(17) 0.1598(3) 0.0561(16) Uani 1 1 d . . . B 3
C04O C 0.8528(3) 0.2340(2) 0.1490(3) 0.066(2) Uani 1 1 d . . . B 3
C04Q C 0.2402(3) 0.3531(3) 0.1477(3) 0.075(2) Uani 1 1 d . . . A 2
H04G H 0.237864 0.378295 0.151017 0.113 Uiso 1 1 calc R U . A 2
H04H H 0.194755 0.343691 0.134343 0.113 Uiso 1 1 calc R U . A 2
H04I H 0.266416 0.347292 0.121721 0.113 Uiso 1 1 calc R U . A 2
C04R C 0.5279(4) 0.1825(2) -0.0392(3) 0.0630(18) Uani 1 1 d . . . B 3
C04T C 0.7211(4) 0.25994(17) 0.0279(3) 0.0565(15) Uani 1 1 d . . . B 3
C04U C 0.5998(3) 0.24402(16) 0.0038(2) 0.0504(14) Uani 1 1 d . . . B 3
C04V C 0.6764(4) 0.22369(19) -0.0503(3) 0.0594(17) Uani 1 1 d . . . B 3
C04Y C 0.8680(4) 0.1727(2) 0.1809(3) 0.0638(18) Uani 1 1 d . . . B 3
C051 C 0.6806(4) 0.19035(18) -0.0769(2) 0.0585(17) Uani 1 1 d . . . B 3
C052 C 0.6605(4) 0.26999(19) 0.0918(3) 0.0612(17) Uani 1 1 d . . . B 3
C053 C 0.7597(4) 0.08627(17) 0.1095(3) 0.0568(16) Uani 1 1 d . . . B 3
C055 C 0.5516(3) 0.22882(16) 0.0301(3) 0.0517(14) Uani 1 1 d . . . B 3
C056 C 0.8784(4) 0.1981(2) 0.1460(3) 0.0667(18) Uani 1 1 d . . . B 3
C058 C 0.6003(4) 0.2131(2) 0.1758(3) 0.0619(17) Uani 1 1 d . . . B 3
C059 C 0.5645(4) 0.1444(2) 0.1364(3) 0.0649(18) Uani 1 1 d . . . B 3
C05A C 0.7278(4) 0.15268(19) 0.2297(3) 0.0633(17) Uani 1 1 d . . . B 3
C05B C 0.5735(4) 0.19621(19) -0.0649(3) 0.0633(18) Uani 1 1 d . . . B 3
C05C C 0.6745(4) 0.1314(2) 0.2003(3) 0.0610(17) Uani 1 1 d . . . B 3
C05D C 0.5315(3) 0.1755(2) 0.1031(3) 0.0600(16) Uani 1 1 d . . . B 3
C05E C 0.8134(4) 0.2388(2) 0.1883(3) 0.0673(19) Uani 1 1 d . . . B 3
C05H C 0.6150(4) 0.25669(19) 0.1182(3) 0.0607(16) Uani 1 1 d . . . B 3
C05I C 0.5128(3) 0.13871(18) 0.0206(3) 0.0636(18) Uani 1 1 d . . . B 3
C05J C 0.8279(4) 0.2464(2) 0.0956(4) 0.0673(19) Uani 1 1 d . . . B 3
C05K C 0.7068(4) 0.2447(2) 0.2005(3) 0.0627(17) Uani 1 1 d . . . B 3
C05L C 0.6736(4) 0.1194(2) -0.0658(3) 0.0670(19) Uani 1 1 d . . . B 3
C05M C 0.7538(4) 0.2605(2) 0.1734(3) 0.0647(18) Uani 1 1 d . . . B 3
C05N C 0.5231(4) 0.1454(2) -0.0325(3) 0.0651(19) Uani 1 1 d . . . B 3
C05O C 0.6389(4) 0.07857(18) 0.0751(3) 0.0665(18) Uani 1 1 d . . . B 3
C05P C 0.7335(4) 0.23759(18) -0.0116(3) 0.0564(15) Uani 1 1 d . . . B 3
C05Q C 0.6388(4) 0.24406(18) 0.1728(3) 0.0580(16) Uani 1 1 d . . . B 3
C05T C 0.8043(4) 0.2116(2) 0.2246(3) 0.0671(18) Uani 1 1 d . . . B 3
C05W C 0.5189(3) 0.1979(2) 0.0092(3) 0.0658(19) Uani 1 1 d . . . B 3
C05X C 0.7783(4) 0.09733(17) 0.0224(3) 0.0612(18) Uani 1 1 d . . . B 3
C05Y C 0.8508(4) 0.1373(2) 0.1605(3) 0.0595(16) Uani 1 1 d . . . B 3
C060 C 0.6638(4) 0.09119(18) -0.0281(3) 0.0623(17) Uani 1 1 d . . . B 3
C061 C 0.5417(4) 0.1111(2) 0.0495(3) 0.0676(19) Uani 1 1 d . . . B 3
C062 C 0.8089(4) 0.10060(19) 0.0823(3) 0.0646(18) Uani 1 1 d . . . B 3
C063 C 0.5704(4) 0.1142(2) 0.1095(3) 0.0635(17) Uani 1 1 d . . . B 3
C064 C 0.7144(4) 0.08142(18) 0.0145(3) 0.0655(19) Uani 1 1 d . . . B 3
C065 C 0.8588(4) 0.1570(2) 0.0675(3) 0.0686(19) Uani 1 1 d . . . B 3
C066 C 0.8289(4) 0.1533(2) 0.0112(3) 0.0701(19) Uani 1 1 d . . . B 3
C067 C 0.6158(4) 0.1738(2) -0.0866(3) 0.069(2) Uani 1 1 d . . . B 3
C068 C 0.5650(4) 0.1239(2) -0.0527(3) 0.0668(19) Uani 1 1 d . . . B 3
C2CA C 0.8262(7) 0.7441(4) 0.4189(6) 0.086(3) Uani 0.692(7) 1 d D U P C 1
C06C C 0.8492(4) 0.1286(2) 0.1053(3) 0.0668(19) Uani 1 1 d . . . B 3
C06D C 0.7895(4) 0.1230(2) -0.0120(3) 0.0640(18) Uani 1 1 d . . . B 3
C06E C 0.7013(4) 0.1870(2) 0.2352(3) 0.0652(19) Uani 1 1 d . . . B 3
C06G C 0.6126(4) 0.1391(2) -0.0810(3) 0.071(2) Uani 1 1 d . . . B 3
C06H C 0.6300(4) 0.1849(2) 0.2062(3) 0.069(2) Uani 1 1 d . . . B 3
C06I C 0.5849(4) 0.08820(17) 0.0290(3) 0.0575(16) Uani 1 1 d . . . B 3
C06J C 0.7358(4) 0.1339(2) -0.0567(3) 0.068(2) Uani 1 1 d . . . B 3
C06K C 0.7382(4) 0.2159(2) 0.2324(3) 0.0648(18) Uani 1 1 d . . . B 3
C06L C 0.7038(4) 0.07455(17) 0.0681(4) 0.0675(19) Uani 1 1 d . . . B 3
C06M C 0.8719(4) 0.1912(2) 0.0897(3) 0.0690(19) Uani 1 1 d . . . B 3
C06O C 0.7400(5) 0.1718(2) -0.0626(3) 0.073(2) Uani 1 1 d . . . B 3
C06V C 0.6874(10) 0.6047(5) 0.3865(8) 0.104(4) Uani 0.692(7) 1 d . U P C 1
C06X C 0.7958(4) 0.1839(2) -0.0217(3) 0.071(2) Uani 1 1 d . . . B 3
C06Y C 0.8399(4) 0.2209(2) 0.0577(3) 0.0670(18) Uani 1 1 d . . . B 3
C06Z C 0.5973(5) 0.0954(2) -0.0224(4) 0.075(2) Uani 1 1 d . . . B 3
C073 C 0.7785(14) 0.5850(7) 0.5554(10) 0.127(4) Uani 0.692(7) 1 d . U P C 1
C3MA C 0.9070(7) 0.7073(3) 0.3899(5) 0.095(3) Uani 0.692(7) 1 d D U P C 1
C076 C 0.7949(4) 0.2169(2) 0.0036(3) 0.073(2) Uani 1 1 d . . . B 3
C0CA C 0.7946(8) 0.6998(3) 0.3414(8) 0.107(4) Uani 0.692(7) 1 d D U P C 1
C8LA C 0.9067(11) 0.5996(5) 0.5952(9) 0.130(5) Uani 0.692(7) 1 d D U P C 1
C8BA C 0.8204(9) 0.6253(4) 0.6264(10) 0.132(4) Uani 0.692(7) 1 d D U P C 1
C1AA C 0.8373(10) 0.5964(5) 0.5967(10) 0.131(4) Uani 0.692(7) 1 d D U P C 1
C6JA C 0.9330(10) 0.6310(5) 0.6251(8) 0.138(5) Uani 0.692(7) 1 d D U P C 1
C8FA C 0.6840(11) 0.6025(4) 0.4769(7) 0.118(4) Uani 0.692(7) 1 d D U P C 1
C07G C 0.7097(12) 0.5845(5) 0.4358(9) 0.117(4) Uani 0.692(7) 1 d . U P C 1
C2EA C 0.8747(10) 0.5699(6) 0.5054(7) 0.123(4) Uani 0.692(7) 1 d D U P C 1
C4DA C 0.8044(7) 0.5737(5) 0.4141(6) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C9CA C 0.8044(10) 0.5702(7) 0.5080(7) 0.127(4) Uani 0.692(7) 1 d D U P C 1
C2BA C 0.7102(9) 0.7168(4) 0.3775(7) 0.109(4) Uani 0.692(7) 1 d D U P C 1
C0EA C 0.8432(7) 0.7235(3) 0.3784(5) 0.091(3) Uani 0.692(7) 1 d D U P C 1
C5EA C 0.7274(7) 0.6069(5) 0.3531(8) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C8CA C 0.7615(9) 0.5708(7) 0.4521(7) 0.126(4) Uani 0.692(7) 1 d D U P C 1
C3JA C 0.9000(7) 0.6746(3) 0.3618(5) 0.098(3) Uani 0.692(7) 1 d D U P C 1
C0BA C 0.7152(12) 0.6044(5) 0.5351(8) 0.129(4) Uani 0.692(7) 1 d D U P C 1
C7CA C 0.8745(6) 0.7509(3) 0.4676(5) 0.096(3) Uani 0.692(7) 1 d D U P C 1
C4GA C 0.8753(8) 0.5729(5) 0.4475(6) 0.122(4) Uani 0.692(7) 1 d D U P C 1
C9JA C 0.9384(6) 0.7354(3) 0.4795(4) 0.110(4) Uani 0.692(7) 1 d D U P C 1
C6AA C 0.9329(13) 0.5878(5) 0.5483(8) 0.128(5) Uani 0.692(7) 1 d D U P C 1
C3BA C 0.6485(9) 0.6320(3) 0.3955(6) 0.099(3) Uani 0.692(7) 1 d D U P C 1
C2AA C 0.8567(7) 0.7567(4) 0.5158(5) 0.117(4) Uani 0.692(7) 1 d D U P C 1
C1FA C 0.8369(7) 0.6095(3) 0.3500(6) 0.120(4) Uani 0.692(7) 1 d D U P C 1
C7DA C 0.7924(7) 0.7534(4) 0.5162(5) 0.114(3) Uani 0.692(7) 1 d D U P C 1
C8DA C 0.9015(7) 0.6118(4) 0.3814(7) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C8EA C 0.7897(6) 0.5898(4) 0.3679(7) 0.120(4) Uani 0.692(7) 1 d D U P C 1
C1DA C 0.7403(8) 0.7474(4) 0.4696(6) 0.107(3) Uani 0.692(7) 1 d D U P C 1
C5BA C 0.8241(8) 0.7299(4) 0.6050(7) 0.135(4) Uani 0.692(7) 1 d D U P C 1
C7AA C 0.6648(10) 0.6956(3) 0.3981(7) 0.120(4) Uani 0.692(7) 1 d D U P C 1
C4BA C 0.6553(8) 0.6640(4) 0.3672(5) 0.112(4) Uani 0.692(7) 1 d D U P C 1
C6DA C 0.7765(7) 0.7378(5) 0.5623(6) 0.132(4) Uani 0.692(7) 1 d D U P C 1
C0DA C 0.7576(9) 0.6426(4) 0.6108(8) 0.136(4) Uani 0.692(7) 1 d D U P C 1
C1GA C 0.7560(9) 0.6800(4) 0.6142(8) 0.134(4) Uani 0.692(7) 1 d D U P C 1
C08I C 0.7598(10) 0.7446(4) 0.4232(7) 0.099(3) Uani 0.692(7) 1 d . U P C 1
C5DA C 0.7027(11) 0.6323(4) 0.5652(6) 0.135(4) Uani 0.692(7) 1 d D U P C 1
C8AA C 0.9198(8) 0.5906(6) 0.4325(8) 0.131(4) Uani 0.692(7) 1 d D U P C 1
C7FA C 0.6466(9) 0.6317(3) 0.4487(5) 0.112(4) Uani 0.692(7) 1 d D U P C 1
C3DA C 0.6919(9) 0.7253(4) 0.4837(5) 0.113(3) Uani 0.692(7) 1 d D U P C 1
C0AA C 0.7014(7) 0.6635(4) 0.3332(7) 0.114(4) Uani 0.692(7) 1 d D U P C 1
C4EA C 0.7348(6) 0.6366(3) 0.3248(7) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C6EA C 0.8930(6) 0.7318(3) 0.6037(5) 0.134(4) Uani 0.692(7) 1 d D U P C 1
C5AA C 0.9356(7) 0.6445(4) 0.3871(7) 0.112(4) Uani 0.692(7) 1 d D U P C 1
C2GA C 0.8152(8) 0.6986(3) 0.6326(9) 0.134(4) Uani 0.692(7) 1 d D U P C 1
C8JA C 0.9518(6) 0.7097(3) 0.4453(5) 0.110(4) Uani 0.692(7) 1 d D U P C 1
C6CA C 0.8326(6) 0.6705(3) 0.3302(6) 0.104(3) Uani 0.692(7) 1 d D U P C 1
C9EA C 0.6710(8) 0.6635(3) 0.5373(5) 0.125(4) Uani 0.692(7) 1 d D U P C 1
C6BA C 0.6576(11) 0.6966(3) 0.4514(5) 0.120(4) Uani 0.692(7) 1 d D U P C 1
C0GA C 0.7021(11) 0.6924(4) 0.5686(5) 0.136(4) Uani 0.692(7) 1 d D U P C 1
C6FA C 0.6496(8) 0.6647(3) 0.4794(5) 0.116(3) Uani 0.692(7) 1 d D U P C 1
C0KA C 0.9583(7) 0.7309(3) 0.5385(4) 0.128(4) Uani 0.692(7) 1 d D U P C 1
C0MA C 0.9915(8) 0.7032(3) 0.5618(5) 0.142(5) Uani 0.692(7) 1 d D U P C 1
C9DA C 0.9075(6) 0.7450(3) 0.5598(5) 0.125(4) Uani 0.692(7) 1 d D U P C 1
C1CA C 0.7332(7) 0.6973(3) 0.3387(7) 0.116(4) Uani 0.692(7) 1 d D U P C 1
C2DA C 0.7106(9) 0.7228(4) 0.5421(5) 0.127(4) Uani 0.692(7) 1 d D U P C 1
C3EA C 0.8024(5) 0.6392(3) 0.3224(6) 0.117(4) Uani 0.692(7) 1 d D U P C 1
C5JA C 0.9768(15) 0.6115(5) 0.4685(9) 0.158(5) Uani 0.692(7) 1 d D U P C 1
C3GA C 0.8792(7) 0.6811(4) 0.6475(7) 0.138(4) Uani 0.692(7) 1 d D U P C 1
C0HA C 0.9268(8) 0.7017(4) 0.6291(6) 0.142(4) Uani 0.692(7) 1 d D U P C 1
C9BA C 0.8811(7) 0.6450(4) 0.6485(7) 0.141(4) Uani 0.692(7) 1 d D U P C 1
C5LA C 0.9794(10) 0.6890(3) 0.6118(5) 0.142(5) Uani 0.692(7) 1 d D U P C 1
C4HA C 0.3529(5) 0.25952(19) -0.1650(3) 0.070(2) Uani 1 1 d . . . D 6
H4HA H 0.353837 0.233964 -0.162371 0.084 Uiso 1 1 calc R U . D 6
H4HB H 0.368540 0.268893 -0.127306 0.084 Uiso 1 1 calc R U . D 6
C2HA C 0.4753(4) 0.26245(19) -0.1746(3) 0.0665(18) Uani 1 1 d . . . D 6
H2HA H 0.479521 0.237171 -0.168359 0.080 Uiso 1 1 calc R U . D 6
H2HB H 0.491430 0.274123 -0.138634 0.080 Uiso 1 1 calc R U . D 6
C3HA C 0.4031(4) 0.2715(2) -0.1993(3) 0.068(2) Uani 1 1 d . . . D 6
H3HA H 0.388641 0.260899 -0.236294 0.082 Uiso 1 1 calc R U . D 6
H3HB H 0.399537 0.296863 -0.204053 0.082 Uiso 1 1 calc R U . D 6
C12 C 0.2872(4) 0.2701(3) -0.1876(4) 0.085(3) Uani 1 1 d . . . D 6
H12A H 0.271230 0.260933 -0.225006 0.128 Uiso 1 1 calc R U . D 6
H12B H 0.285406 0.295440 -0.188733 0.128 Uiso 1 1 calc R U . D 6
H12C H 0.258715 0.261447 -0.165075 0.128 Uiso 1 1 calc R U . D 6
C9FA C 0.5186(3) 0.27334(14) -0.2119(3) 0.0472(13) Uani 1 1 d . . . D 6
H9FA H 0.512447 0.298323 -0.220333 0.057 Uiso 1 1 calc R U . D 6
H9FB H 0.505281 0.260311 -0.246869 0.057 Uiso 1 1 calc R U . D 6
C5GA C 0.5927(4) 0.2658(2) -0.1824(4) 0.075(2) Uani 1 1 d . . . D 6
H5GA H 0.620506 0.269898 -0.207746 0.112 Uiso 1 1 calc R U . D 6
H5GB H 0.597309 0.241709 -0.170083 0.112 Uiso 1 1 calc R U . D 6
H5GC H 0.607240 0.281185 -0.150506 0.112 Uiso 1 1 calc R U . D 6
C3CA C 0.9868(10) 0.6776(4) 0.4714(5) 0.167(6) Uani 0.692(7) 1 d D U P C 1
C9AA C 1.0061(10) 0.6425(4) 0.5595(6) 0.179(6) Uani 0.692(7) 1 d D U P C 1
C8MA C 0.9776(13) 0.6121(4) 0.5268(8) 0.169(5) Uani 0.692(7) 1 d D U P C 1
C9GA C 0.6912(6) 0.5164(2) 0.0440(4) 0.049(3) Uani 0.5 1 d D U P E 5
C8HA C 0.6663(5) 0.5503(2) 0.0377(3) 0.056(3) Uani 0.5 1 d D U P E 5
C3KA C 0.6704(6) 0.5121(2) -0.0562(4) 0.060(3) Uani 0.5 1 d D U P E 5
C5CA C 0.6935(5) 0.4971(2) -0.0051(4) 0.059(2) Uani 0.5 1 d D U P E 5
C2KA C 0.6443(5) 0.5657(2) -0.0142(3) 0.064(3) Uani 0.5 1 d D U P E 5
C2IA C 0.6460(5) 0.5471(3) -0.0615(4) 0.064(3) Uani 0.5 1 d D U P E 5
C7IA C 0.6371(6) 0.4430(3) -0.0376(3) 0.068(3) Uani 0.5 1 d D U P E 5
C8IA C 0.6763(6) 0.4632(2) 0.0050(3) 0.069(3) Uani 0.5 1 d D U P E 5
C6LA C 0.6126(5) 0.4574(3) -0.0914(4) 0.067(3) Uani 0.5 1 d D U P E 5
C4JA C 0.6292(6) 0.4915(3) -0.1006(4) 0.070(3) Uani 0.5 1 d D U P E 5
C5FA C 0.6362(5) 0.5044(2) 0.1175(4) 0.048(3) Uani 0.5 1 d D U P E 5
C3IA C 0.6263(5) 0.5620(3) 0.0723(4) 0.052(3) Uani 0.5 1 d D U P E 5
C1KA C 0.5865(4) 0.5867(3) -0.0138(4) 0.056(3) Uani 0.5 1 d D U P E 5
C4FA C 0.6750(5) 0.4937(2) 0.0833(4) 0.050(2) Uani 0.5 1 d D U P E 5
C0IA C 0.6119(5) 0.5406(2) 0.1130(4) 0.048(2) Uani 0.5 1 d D U P E 5
C1BA C 0.5759(5) 0.5846(3) 0.0391(4) 0.057(3) Uani 0.5 1 d D U P E 5
C6KA C 0.5422(5) 0.4877(3) 0.1565(5) 0.056(3) Uani 0.5 1 d D U P E 5
C5NA C 0.6009(5) 0.4791(2) 0.1394(4) 0.049(2) Uani 0.5 1 d D U P E 5
C0NA C 0.5528(5) 0.5479(2) 0.1276(4) 0.052(3) Uani 0.5 1 d D U P E 5
C9HA C 0.5182(4) 0.5218(3) 0.1515(5) 0.058(3) Uani 0.5 1 d D U P E 5
C7KA C 0.5897(5) 0.4454(3) 0.1132(5) 0.055(3) Uani 0.5 1 d D U P E 5
C5IA C 0.6169(6) 0.4383(3) 0.0701(4) 0.051(3) Uani 0.5 1 d D U P E 5
C0JA C 0.6663(6) 0.4608(3) 0.0594(4) 0.061(3) Uani 0.5 1 d D U P E 5
C4LA C 0.5312(5) 0.5886(3) -0.0601(4) 0.059(3) Uani 0.5 1 d D U P E 5
C7GA C 0.5761(7) 0.4171(3) 0.0232(6) 0.069(3) Uani 0.5 1 d D U P E 5
C0FA C 0.5120(6) 0.5862(4) 0.0469(4) 0.057(3) Uani 0.5 1 d D U P E 5
C5MA C 0.5018(5) 0.5710(3) 0.0939(5) 0.054(3) Uani 0.5 1 d D U P E 5
C2NA C 0.5319(4) 0.5693(3) -0.1086(4) 0.062(3) Uani 0.5 1 d D U P E 5
C3FA C 0.5852(6) 0.4209(3) -0.0261(4) 0.077(3) Uani 0.5 1 d D U P E 5
C4IA C 0.5785(5) 0.5148(3) -0.1333(4) 0.066(3) Uani 0.5 1 d D U P E 5
C1LA C 0.4643(4) 0.5879(3) -0.0529(4) 0.054(3) Uani 0.5 1 d D U P E 5
C7HA C 0.4536(5) 0.5868(3) -0.0016(5) 0.055(3) Uani 0.5 1 d D U P E 5
C1IA C 0.5885(5) 0.5485(3) -0.1095(4) 0.060(3) Uani 0.5 1 d D U P E 5
C2LA C 0.4651(4) 0.5560(3) -0.1317(4) 0.051(3) Uani 0.5 1 d D U P E 5
C2FA C 0.5128(5) 0.5014(3) -0.1552(4) 0.061(3) Uani 0.5 1 d D U P E 5
C6IA C 0.4464(5) 0.5282(3) 0.1334(5) 0.071(3) Uani 0.5 1 d D U P E 5
C3LA C 0.4562(4) 0.5228(3) -0.1544(5) 0.050(3) Uani 0.5 1 d D U P E 5
C4MA C 0.4361(6) 0.5585(4) 0.0971(6) 0.064(3) Uani 0.5 1 d D U P E 5
C6GA C 0.4092(5) 0.4434(3) -0.1031(4) 0.061(3) Uani 0.5 1 d D U P E 5
C9IA C 0.4295(4) 0.4661(3) -0.1395(4) 0.060(3) Uani 0.5 1 d D U P E 5
C7JA C 0.5274(6) 0.4223(3) -0.0730(5) 0.076(3) Uani 0.5 1 d D U P E 5
C8KA C 0.4954(5) 0.4667(3) -0.1459(6) 0.062(3) Uani 0.5 1 d D U P E 5
C4CA C 0.4622(6) 0.4199(3) -0.0684(5) 0.070(3) Uani 0.5 1 d D U P E 5
C3OA C 0.3457(6) 0.4378(3) -0.0338(4) 0.067(3) Uani 0.5 1 d D U P E 5
C6HA C 0.3958(6) 0.4158(3) -0.0014(4) 0.078(3) Uani 0.5 1 d D U P E 5
C4KA C 0.5106(6) 0.4069(4) 0.0290(5) 0.072(3) Uani 0.5 1 d D U P E 5
C9KA C 0.4541(6) 0.4082(3) -0.0195(5) 0.077(3) Uani 0.5 1 d D U P E 5
C1JA C 0.5449(5) 0.4445(4) -0.1131(5) 0.068(3) Uani 0.5 1 d D U P E 5
C0LA C 0.4044(5) 0.5012(2) -0.1450(4) 0.050(2) Uani 0.5 1 d D U P E 5
C1MA C 0.3607(5) 0.5117(2) -0.1159(5) 0.043(2) Uani 0.5 1 d D U P E 5
C9MA C 0.3151(6) 0.5261(3) -0.0192(5) 0.061(3) Uani 0.5 1 d D U P E 5
C5OA C 0.3304(5) 0.4871(3) -0.0882(4) 0.053(3) Uani 0.5 1 d D U P E 5
C2OA C 0.3150(6) 0.4636(3) -0.0075(5) 0.076(3) Uani 0.5 1 d D U P E 5
C6NA C 0.3353(6) 0.5301(3) 0.0396(5) 0.062(2) Uani 0.5 1 d D U P E 5
C1EA C 0.3891(6) 0.5728(3) 0.0030(5) 0.054(3) Uani 0.5 1 d D U P E 5
C4NA C 0.3701(5) 0.5473(3) -0.0908(4) 0.039(2) Uani 0.5 1 d D U P E 5
C3NA C 0.3494(6) 0.5527(3) -0.0421(5) 0.054(3) Uani 0.5 1 d D U P E 5
C7LA C 0.3808(6) 0.5585(3) 0.0530(5) 0.059(3) Uani 0.5 1 d D U P E 5
C4OA C 0.3555(5) 0.4521(2) -0.0832(4) 0.061(3) Uani 0.5 1 d D U P E 5
C1NA C 0.4229(5) 0.5674(3) -0.0972(4) 0.046(2) Uani 0.5 1 d D U P E 5
C7BA C 0.3447(7) 0.5015(4) 0.0741(6) 0.071(3) Uani 0.5 1 d D U P E 5
C8GA C 0.3345(6) 0.4676(3) 0.0500(5) 0.071(3) Uani 0.5 1 d D U P E 5
C2JA C 0.3862(5) 0.4452(3) 0.0830(4) 0.078(3) Uani 0.5 1 d D U P E 5
C2MA C 0.4860(6) 0.4139(4) 0.0757(5) 0.070(3) Uani 0.5 1 d D U P E 5
C6MA C 0.4962(5) 0.4593(2) 0.1439(4) 0.069(3) Uani 0.5 1 d D U P E 5
C7MA C 0.4266(6) 0.4654(3) 0.1266(5) 0.071(3) Uani 0.5 1 d D U P E 5
C5KA C 0.4016(5) 0.5004(3) 0.1218(6) 0.077(3) Uani 0.5 1 d D U P E 5
C9LA C 0.5254(5) 0.4333(3) 0.1171(6) 0.064(3) Uani 0.5 1 d D U P E 5
C1HA C 0.4150(5) 0.4196(3) 0.0574(4) 0.081(3) Uani 0.5 1 d D U P E 5
C5HA C 0.9788(12) 0.6461(4) 0.4395(6) 0.164(5) Uani 0.692(7) 1 d D U P C 1
C3AA C 1.0086(10) 0.6755(3) 0.5296(6) 0.175(6) Uani 0.692(7) 1 d D U P C 1
C4AA C 0.9831(14) 0.6517(4) 0.6087(7) 0.189(7) Uani 0.692(7) 1 d D U P C 1
C0OA C 0.3050(8) 0.4938(3) -0.0419(6) 0.059(3) Uani 0.5 1 d D U P E 5
C1 C 0.9257(8) 0.6632(3) 0.6278(8) 0.078(5) Uani 0.308(7) 1 d D U P C -5
C6OA C 0.9924(10) 0.6246(4) 0.5848(7) 0.080(6) Uani 0.308(7) 1 d D U P C -5
C2 C 0.9455(13) 0.6296(3) 0.6184(12) 0.075(6) Uani 0.308(7) 1 d D U P C -5
C7OA C 0.9759(9) 0.6242(5) 0.4191(9) 0.076(5) Uani 0.308(7) 1 d D U P C -5
C9NA C 0.9761(9) 0.5932(5) 0.5513(7) 0.072(5) Uani 0.308(7) 1 d D U P C -5
C4PA C 1.0115(12) 0.6226(5) 0.4771(8) 0.074(5) Uani 0.308(7) 1 d D U P C -5
C0PA C 0.9819(9) 0.5927(5) 0.4988(8) 0.074(5) Uani 0.308(7) 1 d D U P C -5
C7QA C 0.9904(9) 0.6871(3) 0.5695(7) 0.095(6) Uani 0.308(7) 1 d D U P C -5
C2PA C 0.9341(8) 0.5773(7) 0.4574(7) 0.085(6) Uani 0.308(7) 1 d D U P C -5
C5PA C 0.9294(8) 0.5953(5) 0.4074(10) 0.088(6) Uani 0.308(7) 1 d D U P C -5
C3QA C 1.0253(10) 0.6521(4) 0.5077(7) 0.075(5) Uani 0.308(7) 1 d D U P C -5
C8NA C 1.0165(8) 0.6535(4) 0.5628(7) 0.095(6) Uani 0.308(7) 1 d D U P C -5
C3PA C 0.9560(8) 0.6562(4) 0.3943(10) 0.092(6) Uani 0.308(7) 1 d D U P C -5
C6PA C 0.8672(8) 0.5992(4) 0.3699(8) 0.100(7) Uani 0.308(7) 1 d D U P C -5
C9OA C 0.8937(7) 0.6601(3) 0.3556(8) 0.101(7) Uani 0.308(7) 1 d D U P C -5
C8OA C 0.8481(7) 0.6312(4) 0.3428(7) 0.106(7) Uani 0.308(7) 1 d D U P C -5
C3SA C 0.9716(7) 0.6866(5) 0.4233(7) 0.092(6) Uani 0.308(7) 1 d D U P C -5
C9QA C 1.0102(9) 0.6861(4) 0.4833(7) 0.087(6) Uani 0.308(7) 1 d D U P C -5
C3UA C 0.9139(8) 0.5829(6) 0.5604(7) 0.064(5) Uani 0.308(7) 1 d D U P C -5
C5TA C 0.8778(8) 0.5632(5) 0.4680(6) 0.086(6) Uani 0.308(7) 1 d D U P C -5
C1UA C 0.8687(7) 0.5668(5) 0.5208(7) 0.069(5) Uani 0.308(7) 1 d D U P C -5
C0QA C 0.7517(8) 0.6692(4) 0.3399(9) 0.105(7) Uani 0.308(7) 1 d D U P C -5
C8QA C 0.7998(5) 0.7004(4) 0.3526(7) 0.114(8) Uani 0.308(7) 1 d D U P C -5
C1RA C 0.8684(5) 0.6927(3) 0.3645(6) 0.102(7) Uani 0.308(7) 1 d D U P C -5
C8PA C 0.7787(7) 0.6361(4) 0.3373(9) 0.099(7) Uani 0.308(7) 1 d D U P C -5
C2QA C 0.9871(8) 0.7076(4) 0.5212(5) 0.093(6) Uani 0.308(7) 1 d D U P C -5
C3 C 0.9469(10) 0.6919(3) 0.6031(7) 0.097(6) Uani 0.308(7) 1 d D U P C -5
C5QA C 0.8948(9) 0.7206(5) 0.5871(7) 0.101(7) Uani 0.308(7) 1 d D U P C -5
C4RA C 0.8927(6) 0.7408(4) 0.5393(4) 0.102(7) Uani 0.308(7) 1 d D U P C -5
C2SA C 0.9161(6) 0.7085(3) 0.4060(5) 0.093(6) Uani 0.308(7) 1 d D U P C -5
C7SA C 0.9298(7) 0.7315(5) 0.5023(5) 0.106(7) Uani 0.308(7) 1 d D U P C -5
C6SA C 0.8976(7) 0.7348(4) 0.4410(6) 0.100(7) Uani 0.308(7) 1 d D U P C -5
C9RA C 0.7541(9) 0.6068(4) 0.3594(8) 0.096(7) Uani 0.308(7) 1 d D U P C -5
C0SA C 0.8093(6) 0.5844(5) 0.3806(8) 0.098(7) Uani 0.308(7) 1 d D U P C -5
C7EA C 0.8149(6) 0.5661(5) 0.4299(7) 0.082(6) Uani 0.308(7) 1 d D U P C -5
C9PA C 0.7032(10) 0.6118(4) 0.3895(8) 0.092(7) Uani 0.308(7) 1 d D U P C -5
C2RA C 0.6658(9) 0.6425(4) 0.3808(8) 0.089(6) Uani 0.308(7) 1 d D U P C -5
C6RA C 0.6862(9) 0.6713(4) 0.3516(11) 0.092(7) Uani 0.308(7) 1 d D U P C -5
C1OA C 0.7816(8) 0.7275(4) 0.3886(8) 0.109(7) Uani 0.308(7) 1 d D U P C -5
C5SA C 0.8255(9) 0.7423(5) 0.4272(6) 0.091(7) Uani 0.308(7) 1 d D U P C -5
C4SA C 0.7109(10) 0.5930(5) 0.4411(7) 0.088(7) Uani 0.308(7) 1 d D U P C -5
C1SA C 0.7660(8) 0.5701(5) 0.4600(6) 0.086(7) Uani 0.308(7) 1 d D U P C -5
C3TA C 0.6374(11) 0.6908(4) 0.4224(6) 0.071(5) Uani 0.308(7) 1 d D U P C -5
C4QA C 0.6783(10) 0.6053(5) 0.4804(5) 0.076(6) Uani 0.308(7) 1 d D U P C -5
C0TA C 0.6402(10) 0.6364(3) 0.4701(5) 0.089(6) Uani 0.308(7) 1 d D U P C -5
C2TA C 0.6338(10) 0.6549(4) 0.4213(5) 0.087(6) Uani 0.308(7) 1 d D U P C -5
C0RA C 0.7955(6) 0.7548(5) 0.4644(5) 0.104(7) Uani 0.308(7) 1 d D U P C -5
C5RA C 0.7157(13) 0.7301(4) 0.3958(10) 0.094(7) Uani 0.308(7) 1 d D U P C -5
C7NA C 0.6703(10) 0.7003(6) 0.3837(8) 0.091(7) Uani 0.308(7) 1 d D U P C -5
C7RA C 0.8276(5) 0.7541(4) 0.5207(5) 0.103(7) Uani 0.308(7) 1 d D U P C -5
C5UA C 0.7915(7) 0.7453(6) 0.5586(5) 0.104(7) Uani 0.308(7) 1 d D U P C -5
C9TA C 0.7225(9) 0.7371(5) 0.5396(5) 0.107(7) Uani 0.308(7) 1 d D U P C -5
C9SA C 0.6902(9) 0.7373(4) 0.4833(5) 0.104(7) Uani 0.308(7) 1 d D U P C -5
C8RA C 0.7275(8) 0.7461(6) 0.4450(6) 0.106(7) Uani 0.308(7) 1 d D U P C -5
C8SA C 0.6544(10) 0.6902(4) 0.5210(5) 0.098(6) Uani 0.308(7) 1 d D U P C -5
C6QA C 0.7113(9) 0.6040(5) 0.5366(6) 0.078(6) Uani 0.308(7) 1 d D U P C -5
C0UA C 0.7778(7) 0.5897(5) 0.5532(6) 0.054(5) Uani 0.308(7) 1 d D U P C -5
C1PA C 0.6469(9) 0.7088(4) 0.4719(6) 0.099(7) Uani 0.308(7) 1 d D U P C -5
C6TA C 0.7024(10) 0.7076(3) 0.5626(7) 0.108(7) Uani 0.308(7) 1 d D U P C -5
C3RA C 0.6511(10) 0.6545(4) 0.5201(5) 0.098(7) Uani 0.308(7) 1 d D U P C -5
C4UA C 0.7996(6) 0.5701(5) 0.5159(6) 0.070(6) Uani 0.308(7) 1 d D U P C -5
C4 C 0.8604(7) 0.6654(6) 0.6339(11) 0.091(6) Uani 0.308(7) 1 d D U P C -5
C7TA C 0.8305(11) 0.7216(8) 0.5960(11) 0.108(7) Uani 0.308(7) 1 d D U P C -5
C1TA C 0.8267(7) 0.6054(5) 0.5981(7) 0.052(5) Uani 0.308(7) 1 d D U P C -5
C2UA C 0.8931(9) 0.6015(7) 0.6022(9) 0.056(5) Uani 0.308(7) 1 d D U P C -5
C1QA C 0.8117(7) 0.6362(5) 0.6224(8) 0.069(5) Uani 0.308(7) 1 d D U P C -5
C4TA C 0.7488(9) 0.6890(4) 0.6031(8) 0.097(7) Uani 0.308(7) 1 d D U P C -5
C7PA C 0.7439(8) 0.6512(4) 0.6025(7) 0.084(6) Uani 0.308(7) 1 d D U P C -5
C8TA C 0.6962(9) 0.6349(4) 0.5615(7) 0.091(7) Uani 0.308(7) 1 d D U P C -5
C5 C 0.8210(10) 0.6979(5) 0.622(2) 0.110(8) Uani 0.308(7) 1 d D U P C -5


_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
C004 C006 1.389(7) . ?
C004 C009 1.406(6) . ?
C005 C00B 1.406(6) . ?
C005 C00H 1.418(6) . ?
C005 C009 1.489(6) . ?
C006 C00X 1.391(7) . ?
C007 C01K 1.393(6) . ?
C007 C015 1.402(6) . ?
C007 C00Y 1.496(6) . ?
C008 C00T 1.375(6) . ?
C008 C00O 1.402(6) . ?
C009 C00I 1.388(7) . ?
C00A C00R 1.398(6) . ?
C00A C00P 1.411(7) . ?
C00A C00H 1.465(6) . ?
C00B C00Y 1.414(6) . ?
C00B C00K 1.505(6) . ?
C00C C01J 1.387(6) . ?
C00C C00S 1.393(6) . ?
C00E C01T 1.388(7) . ?
C00E C016 1.392(7) . ?
C00F C01P 1.389(7) . ?
C00F C01C 1.404(7) . ?
C00F C00W 1.481(7) . ?
C00G C00H 1.417(6) . ?
C00G C00J 1.428(6) . ?
C00G C00L 1.467(6) . ?
C00I C00M 1.382(7) . ?
C00J C00Y 1.405(6) . ?
C00J C00O 1.493(6) . ?
C00K C012 1.369(6) . ?
C00K C013 1.388(6) . ?
C00L C00N 1.392(7) . ?
C00L C014 1.400(6) . ?
C00M C00X 1.412(6) . ?
C00N C01N 1.385(7) . ?
C00O C01J 1.398(6) . ?
C00P C02E 1.412(7) . ?
C00P C014 1.454(7) . ?
C00Q C01B 1.402(7) . ?
C00Q C026 1.408(7) . ?
C00Q C016 1.497(7) . ?
C00R C025 1.398(6) . ?
C00S C00T 1.408(6) . ?
C00S C01X 1.484(6) . ?
C00U C01E 1.377(7) . ?
C00U C00W 1.393(7) . ?
C00V C01T 1.393(7) . ?
C00V C022 1.399(7) . ?
C00V C00Z 1.491(7) . ?
C00W C021 1.404(7) . ?
C00X C01M 1.466(7) . ?
C00Z C017 1.401(7) . ?
C00Z C020 1.402(7) . ?
C010 C01Q 1.396(7) . ?
C010 C01F 1.397(7) . ?
C010 C02C 1.539(6) . ?
C011 C01I 1.390(7) . ?
C011 C02I 1.403(7) . ?
C011 C01W 1.501(7) . ?
C012 C029 1.396(7) . ?
C013 C01L 1.383(7) . ?
C014 C02F 1.414(7) . ?
C015 C01F 1.369(7) . ?
C016 C02G 1.389(7) . ?
C017 C01A 1.371(8) . ?
C018 C02O 1.379(8) . ?
C018 C02N 1.399(7) . ?
C018 C028 1.473(8) . ?
C019 C021 1.381(7) . ?
C019 C01Y 1.401(7) . ?
C01A C01S 1.402(7) . ?
C01B C01O 1.371(8) . ?
C01C C02A 1.392(7) . ?
C01D C023 1.387(7) . ?
C01D C01M 1.416(7) . ?
C01E C01Y 1.414(7) . ?
C01H C029 1.392(7) . ?
C01H C01L 1.397(7) . ?
C01H C027 1.541(7) . ?
C01I C01R 1.390(7) . ?
C01K C01Q 1.383(6) . ?
C01M C02R 1.388(7) . ?
C01N C02J 1.416(8) . ?
C01N C030 1.486(8) . ?
C01O C01W 1.400(7) . ?
C01P C01Z 1.388(7) . ?
C01R C01U 1.393(7) . ?
C01S C02L 1.397(7) . ?
C01S C01Y 1.473(7) . ?
C01U C02H 1.408(7) . ?
C01U C01V 1.490(7) . ?
C01V C023 1.390(7) . ?
C01V C02U 1.398(7) . ?
C01W C024 1.409(7) . ?
C01X C02A 1.375(7) . ?
C01X C01Z 1.402(7) . ?
C020 C02L 1.373(7) . ?
C022 C02G 1.384(8) . ?
C024 C026 1.374(8) . ?
C025 C02B 1.417(7) . ?
C025 C02D 1.479(6) . ?
C027 C03A 1.514(8) . ?
C027 C03J 1.530(8) . ?
C027 C034 1.540(8) . ?
C028 C03H 1.393(9) . ?
C028 C02S 1.414(8) . ?
C02B C02E 1.374(8) . ?
C02C C04I 1.505(10) . ?
C02C C04B 1.512(9) . ?
C02C C04Q 1.553(9) . ?
C02D C02X 1.389(7) . ?
C02D C02M 1.414(8) . ?
C02F C02J 1.362(8) . ?
C02H C02I 1.376(8) . ?
C02K C02Q 1.370(8) . ?
C02K C02P 1.415(7) . ?
C02K C031 1.475(8) . ?
C02M C02V 1.392(7) . ?
C02N C02Q 1.388(8) . ?
C02O C02P 1.374(8) . ?
C02R C02U 1.373(8) . ?
C02S C02W 1.382(9) . ?
C02T C02X 1.382(7) . ?
C02T C037 1.393(8) . ?
C02V C037 1.380(8) . ?
C02W C033 1.390(8) . ?
C02Y C036 1.391(10) . ?
C02Y C03M 1.402(8) . ?
C02Y C03D 1.492(11) . ?
C02Z C03E 1.403(9) . ?
C02Z C03F 1.404(8) . ?
C02Z C039 1.480(10) . ?
C030 C03T 1.383(8) . ?
C030 C03K 1.399(9) . ?
C031 C03L 1.390(9) . ?
C031 C03N 1.402(8) . ?
C032 C038 1.382(9) . ?
C032 C035 1.391(8) . ?
C033 C03R 1.389(10) . ?
C033 C03I 1.489(10) . ?
C035 C03G 1.395(8) . ?
C035 C037 1.481(7) . ?
C036 C03F 1.388(11) . ?
C038 C039 1.394(8) . ?
C039 C03B 1.408(9) . ?
C03B C03G 1.370(10) . ?
C03D C03O 1.376(9) . ?
C03D C03P 1.422(11) . ?
C03E C03M 1.377(10) . ?
C03H C03R 1.384(10) . ?
C03I C03V 1.393(9) . ?
C03I C03S 1.412(10) . ?
C03K C03N 1.388(8) . ?
C03L C03T 1.388(9) . ?
C03O C03S 1.351(11) . ?
C03P C03V 1.329(11) . ?
C03Y C040 1.349(12) . ?
C03Y C05O 1.430(11) . ?
C03Y C063 1.451(10) . ?
C03Z C04N 1.393(10) . ?
C03Z C05Y 1.414(10) . ?
C03Z C04A 1.416(10) . ?
C040 C05C 1.419(11) . ?
C040 C04N 1.462(10) . ?
C041 C05D 1.372(10) . ?
C041 C058 1.428(11) . ?
C041 C04J 1.441(10) . ?
C044 C05J 1.366(10) . ?
C044 C04T 1.454(10) . ?
C044 C04H 1.467(10) . ?
C047 C04U 1.383(9) . ?
C047 C052 1.419(9) . ?
C047 C04T 1.474(10) . ?
C04A C05A 1.377(11) . ?
C04A C04D 1.449(11) . ?
C04D C05T 1.362(11) . ?
C04D C04Y 1.442(11) . ?
C04G C05B 1.412(10) . ?
C04G C04U 1.422(9) . ?
C04G C04V 1.446(10) . ?
C04H C05M 1.351(10) . ?
C04H C052 1.458(11) . ?
C04J C055 1.419(9) . ?
C04J C05H 1.435(10) . ?
C04K C059 1.393(11) . ?
C04K C06H 1.406(11) . ?
C04K C05C 1.446(10) . ?
C04L C05I 1.404(11) . ?
C04L C05D 1.412(11) . ?
C04L C05W 1.435(12) . ?
C04N C053 1.416(10) . ?
C04O C05J 1.394(11) . ?
C04O C05E 1.453(12) . ?
C04O C056 1.495(11) . ?
C04R C05B 1.381(12) . ?
C04R C05W 1.414(11) . ?
C04R C05N 1.451(11) . ?
C04T C05P 1.392(9) . ?
C04U C055 1.457(9) . ?
C04V C05P 1.423(11) . ?
C04V C051 1.467(10) . ?
C04Y C056 1.375(11) . ?
C04Y C05Y 1.471(11) . ?
C051 C06O 1.384(11) . ?
C051 C067 1.444(12) . ?
C052 C05H 1.386(10) . ?
C053 C06L 1.413(11) . ?
C053 C062 1.477(11) . ?
C055 C05W 1.405(10) . ?
C056 C06M 1.416(10) . ?
C058 C06H 1.378(11) . ?
C058 C05Q 1.452(11) . ?
C059 C063 1.371(11) . ?
C059 C05D 1.520(11) . ?
C05A C05C 1.417(11) . ?
C05A C06E 1.456(11) . ?
C05B C067 1.439(11) . ?
C05E C05T 1.439(11) . ?
C05E C05M 1.455(11) . ?
C05H C05Q 1.421(10) . ?
C05I C061 1.342(11) . ?
C05I C05N 1.435(12) . ?
C05J C06Y 1.442(12) . ?
C05K C05Q 1.394(11) . ?
C05K C06K 1.425(10) . ?
C05K C05M 1.461(11) . ?
C05L C06J 1.362(12) . ?
C05L C06G 1.435(11) . ?
C05L C060 1.497(11) . ?
C05N C068 1.390(11) . ?
C05O C06L 1.406(11) . ?
C05O C06I 1.431(11) . ?
C05P C076 1.460(11) . ?
C05T C06K 1.440(11) . ?
C05X C06D 1.378(11) . ?
C05X C064 1.422(11) . ?
C05X C062 1.481(11) . ?
C05Y C06C 1.425(10) . ?
C060 C064 1.342(11) . ?
C060 C06Z 1.428(12) . ?
C061 C06I 1.446(10) . ?
C061 C063 1.477(11) . ?
C062 C06C 1.395(11) . ?
C064 C06L 1.451(12) . ?
C065 C066 1.399(11) . ?
C065 C06M 1.434(11) . ?
C065 C06C 1.500(12) . ?
C066 C06D 1.457(12) . ?
C066 C06X 1.501(12) . ?
C067 C06G 1.353(12) . ?
C068 C06Z 1.406(12) . ?
C068 C06G 1.481(12) . ?
C2CA C7CA 1.388(17) . ?
C2CA C08I 1.41(2) . ?
C2CA C0EA 1.411(19) . ?
C06D C06J 1.420(11) . ?
C06E C06K 1.364(12) . ?
C06E C06H 1.464(12) . ?
C06I C06Z 1.415(12) . ?
C06J C06O 1.479(12) . ?
C06M C06Y 1.456(12) . ?
C06O C06X 1.407(12) . ?
C06V C5EA 1.33(3) . ?
C06V C3BA 1.38(2) . ?
C06V C07G 1.44(3) . ?
C06X C076 1.432(12) . ?
C06Y C076 1.442(12) . ?
C073 C1AA 1.44(3) . ?
C073 C0BA 1.48(3) . ?
C073 C9CA 1.54(3) . ?
C3MA C0EA 1.418(18) . ?
C3MA C3JA 1.436(17) . ?
C3MA C8JA 1.462(16) . ?
C0CA C1CA 1.256(19) . ?
C0CA C6CA 1.45(2) . ?
C0CA C0EA 1.490(18) . ?
C8LA C1AA 1.449(17) . ?
C8LA C6JA 1.458(16) . ?
C8LA C6AA 1.50(2) . ?
C8BA C0DA 1.42(2) . ?
C8BA C1AA 1.437(16) . ?
C8BA C9BA 1.449(15) . ?
C6JA C4AA 1.45(2) . ?
C6JA C9BA 1.457(16) . ?
C8FA C0BA 1.44(2) . ?
C8FA C7FA 1.45(2) . ?
C8FA C07G 1.46(3) . ?
C07G C8CA 1.17(3) . ?
C2EA C4GA 1.468(16) . ?
C2EA C9CA 1.473(17) . ?
C2EA C6AA 1.55(3) . ?
C4DA C8EA 1.284(19) . ?
C4DA C8CA 1.473(16) . ?
C4DA C4GA 1.484(15) . ?
C9CA C8CA 1.455(16) . ?
C2BA C1CA 1.414(15) . ?
C2BA C7AA 1.441(14) . ?
C2BA C08I 1.70(2) . ?
C5EA C4EA 1.381(15) . ?
C5EA C8EA 1.408(15) . ?
C3JA C6CA 1.419(17) . ?
C3JA C5AA 1.435(18) . ?
C0BA C5DA 1.38(2) . ?
C7CA C2AA 1.378(13) . ?
C7CA C9JA 1.409(13) . ?
C4GA C8AA 1.28(2) . ?
C9JA C8JA 1.389(16) . ?
C9JA C0KA 1.444(13) . ?
C6AA C8MA 1.52(2) . ?
C3BA C7FA 1.355(18) . ?
C3BA C4BA 1.454(19) . ?
C2AA C7DA 1.338(19) . ?
C2AA C9DA 1.386(13) . ?
C1FA C8DA 1.362(18) . ?
C1FA C8EA 1.403(14) . ?
C1FA C3EA 1.431(14) . ?
C7DA C1DA 1.389(15) . ?
C7DA C6DA 1.422(14) . ?
C8DA C5AA 1.434(19) . ?
C8DA C8AA 1.49(2) . ?
C1DA C08I 1.34(2) . ?
C1DA C3DA 1.428(15) . ?
C5BA C6DA 1.29(2) . ?
C5BA C2GA 1.432(15) . ?
C5BA C6EA 1.434(14) . ?
C7AA C6BA 1.393(19) . ?
C7AA C4BA 1.434(14) . ?
C4BA C0AA 1.439(14) . ?
C6DA C2DA 1.442(15) . ?
C0DA C5DA 1.441(15) . ?
C0DA C1GA 1.452(14) . ?
C1GA C2GA 1.39(2) . ?
C1GA C0GA 1.455(15) . ?
C5DA C9EA 1.462(14) . ?
C8AA C5JA 1.52(3) . ?
C7FA C6FA 1.482(17) . ?
C3DA C2DA 1.423(14) . ?
C3DA C6BA 1.447(19) . ?
C0AA C4EA 1.298(19) . ?
C0AA C1CA 1.452(13) . ?
C4EA C3EA 1.418(14) . ?
C6EA C9DA 1.324(17) . ?
C6EA C0HA 1.422(14) . ?
C5AA C5HA 1.39(2) . ?
C2GA C3GA 1.443(14) . ?
C8JA C3CA 1.498(17) . ?
C6CA C3EA 1.351(17) . ?
C9EA C6FA 1.412(17) . ?
C9EA C0GA 1.420(14) . ?
C6BA C6FA 1.453(17) . ?
C0GA C2DA 1.39(2) . ?
C0KA C0MA 1.323(17) . ?
C0KA C9DA 1.410(13) . ?
C0MA C3AA 1.443(14) . ?
C0MA C5LA 1.458(14) . ?
C5JA C8MA 1.47(2) . ?
C5JA C5HA 1.53(2) . ?
C3GA C9BA 1.40(2) . ?
C3GA C0HA 1.434(15) . ?
C0HA C5LA 1.36(2) . ?
C5LA C4AA 1.444(15) . ?
C4HA C12 1.386(13) . ?
C4HA C3HA 1.585(12) . ?
C2HA C3HA 1.497(11) . ?
C2HA C9FA 1.518(10) . ?
C9FA C5GA 1.542(10) . ?
C3CA C3AA 1.419(19) . ?
C3CA C5HA 1.445(19) . ?
C9AA C8MA 1.47(2) . ?
C9AA C4AA 1.487(15) . ?
C9AA C3AA 1.489(15) . ?
C9GA C0OA 0.412(15) 3_665 ?
C9GA C2OA 1.182(14) 3_665 ?
C9GA C5OA 1.314(15) 3_665 ?
C9GA C8HA 1.4001(11) . ?
C9GA C4FA 1.429(13) . ?
C9GA C5CA 1.458(15) . ?
C9GA C9MA 1.752(16) 3_665 ?
C9GA C3OA 1.917(12) 3_665 ?
C9GA C4OA 1.974(13) 3_665 ?
C8HA C3OA 0.519(12) 3_665 ?
C8HA C2OA 1.085(14) 3_665 ?
C8HA C4OA 1.341(13) 3_665 ?
C8HA C2KA 1.4005(11) . ?
C8HA C3IA 1.423(11) . ?
C8HA C0OA 1.801(14) 3_665 ?
C8HA C6HA 1.892(12) 3_665 ?
C8HA C5OA 1.915(12) 3_665 ?
C3KA C7BA 0.710(15) 3_665 ?
C3KA C8GA 0.812(13) 3_665 ?
C3KA C5CA 1.378(14) . ?
C3KA C2IA 1.437(12) . ?
C3KA C4JA 1.453(12) . ?
C3KA C6NA 1.695(16) 3_665 ?
C3KA C2OA 1.817(16) 3_665 ?
C3KA C5KA 1.971(14) 3_665 ?
C3KA C2JA 2.033(14) 3_665 ?
C5CA C9MA 1.129(15) 3_665 ?
C5CA C0OA 1.229(17) 3_665 ?
C5CA C6NA 1.393(15) 3_665 ?
C5CA C8IA 1.4002(11) . ?
C5CA C2OA 1.570(14) 3_665 ?
C5CA C7BA 1.712(16) 3_665 ?
C5CA C8GA 1.770(14) 3_665 ?
C2KA C3OA 1.181(12) 3_665 ?
C2KA C6HA 1.233(13) 3_665 ?
C2KA C2IA 1.403(13) . ?
C2KA C2OA 1.431(12) 3_665 ?
C2KA C1KA 1.445(11) . ?
C2KA C1HA 1.519(11) 3_665 ?
C2KA C8GA 1.696(14) 3_665 ?
C2KA C2JA 1.736(12) 3_665 ?
C2IA C8GA 0.712(12) 3_665 ?
C2IA C2JA 0.796(11) 3_665 ?
C2IA C1IA 1.456(11) . ?
C2IA C2OA 1.764(14) 3_665 ?
C2IA C1HA 1.824(14) 3_665 ?
C2IA C7BA 1.924(16) 3_665 ?
C2IA C7MA 1.967(13) 3_665 ?
C7IA C7LA 0.463(14) 3_665 ?
C7IA C6NA 1.196(15) 3_665 ?
C7IA C1EA 1.296(16) 3_665 ?
C7IA C8IA 1.4000(11) . ?
C7IA C6LA 1.431(11) . ?
C7IA C3FA 1.457(12) . ?
C7IA C4MA 1.829(15) 3_665 ?
C7IA C9MA 1.927(14) 3_665 ?
C7IA C3NA 1.963(14) 3_665 ?
C8IA C9MA 0.546(15) 3_665 ?
C8IA C6NA 1.117(13) 3_665 ?
C8IA C3NA 1.340(15) 3_665 ?
C8IA C0JA 1.444(14) . ?
C8IA C7LA 1.822(13) 3_665 ?
C8IA C0OA 1.893(18) 3_665 ?
C8IA C1EA 1.914(14) 3_665 ?
C6LA C7LA 1.125(16) 3_665 ?
C6LA C4MA 1.156(17) 3_665 ?
C6LA C4JA 1.396(16) . ?
C6LA C1JA 1.449(12) . ?
C6LA C6IA 1.495(14) 3_665 ?
C6LA C6NA 1.535(15) 3_665 ?
C6LA C5KA 1.795(18) 3_665 ?
C6LA C7BA 1.812(17) 3_665 ?
C4JA C5KA 0.781(12) 3_665 ?
C4JA C7BA 0.788(14) 3_665 ?
C4JA C4IA 1.460(12) . ?
C4JA C6NA 1.734(15) 3_665 ?
C4JA C6IA 1.738(17) 3_665 ?
C4JA C7MA 2.034(14) 3_665 ?
C5FA C1MA 0.628(11) 3_665 ?
C5FA C5OA 1.184(13) 3_665 ?
C5FA C0LA 1.241(13) 3_665 ?
C5FA C4FA 1.387(14) . ?
C5FA C5NA 1.418(14) . ?
C5FA C0IA 1.479(14) . ?
C5FA C4OA 1.920(12) 3_665 ?
C5FA C9IA 1.961(12) 3_665 ?
C3IA C4OA 0.677(11) 3_665 ?
C3IA C6GA 1.221(14) 3_665 ?
C3IA C3OA 1.253(14) 3_665 ?
C3IA C0IA 1.413(14) . ?
C3IA C1BA 1.446(11) . ?
C3IA C6HA 1.927(14) 3_665 ?
C3IA C4CA 1.937(14) 3_665 ?
C1KA C6HA 0.465(13) 3_665 ?
C1KA C1HA 1.119(14) 3_665 ?
C1KA C9KA 1.350(15) 3_665 ?
C1KA C4LA 1.404(14) . ?
C1KA C1BA 1.411(12) . ?
C1KA C3OA 1.847(14) 3_665 ?
C1KA C2MA 1.857(14) 3_665 ?
C1KA C4KA 1.957(15) 3_665 ?
C4FA C5OA 0.766(12) 3_665 ?
C4FA C1MA 1.260(14) 3_665 ?
C4FA C0OA 1.312(16) 3_665 ?
C4FA C0JA 1.400(15) . ?
C4FA C9MA 1.849(17) 3_665 ?
C4FA C4NA 1.876(15) 3_665 ?
C0IA C6GA 0.760(11) 3_665 ?
C0IA C4OA 1.170(13) 3_665 ?
C0IA C9IA 1.244(13) 3_665 ?
C0IA C0NA 1.394(15) . ?
C0IA C5OA 1.829(13) 3_665 ?
C0IA C0LA 1.873(13) 3_665 ?
C1BA C9KA 0.737(11) 3_665 ?
C1BA C4CA 1.227(15) 3_665 ?
C1BA C6HA 1.242(14) 3_665 ?
C1BA C0FA 1.386(17) . ?
C1BA C3OA 1.872(14) 3_665 ?
C1BA C6GA 1.903(13) 3_665 ?
C6KA C3LA 0.412(14) 3_665 ?
C6KA C2FA 1.205(13) 3_665 ?
C6KA C0LA 1.286(12) 3_665 ?
C6KA C9HA 1.403(15) . ?
C6KA C5NA 1.429(12) . ?
C6KA C6MA 1.432(12) . ?
C6KA C2LA 1.795(14) 3_665 ?
C6KA C8KA 1.917(15) 3_665 ?
C6KA C9IA 1.962(14) 3_665 ?
C5NA C0LA 0.789(10) 3_665 ?
C5NA C1MA 1.165(13) 3_665 ?
C5NA C3LA 1.331(12) 3_665 ?
C5NA C7KA 1.452(12) . ?
C5NA C4NA 1.816(12) 3_665 ?
C5NA C2LA 1.898(13) 3_665 ?
C0NA C9IA 0.678(10) 3_665 ?
C0NA C6GA 1.169(14) 3_665 ?
C0NA C8KA 1.329(15) 3_665 ?
C0NA C9HA 1.456(12) . ?
C0NA C5MA 1.468(12) . ?
C0NA C4CA 1.907(14) 3_665 ?
C0NA C1JA 1.974(14) 3_665 ?
C9HA C8KA 0.524(13) 3_665 ?
C9HA C2FA 1.121(14) 3_665 ?
C9HA C9IA 1.285(13) 3_665 ?
C9HA C6IA 1.452(12) . ?
C9HA C3LA 1.800(14) 3_665 ?
C9HA C0LA 1.873(13) 3_665 ?
C9HA C1JA 1.913(15) 3_665 ?
C7KA C1NA 0.648(12) 3_665 ?
C7KA C4NA 1.157(14) 3_665 ?
C7KA C2LA 1.335(13) 3_665 ?
C7KA C5IA 1.377(15) . ?
C7KA C9LA 1.436(13) . ?
C7KA C1MA 1.942(13) 3_665 ?
C7KA C3LA 2.003(14) 3_665 ?
C5IA C4NA 0.760(12) 3_665 ?
C5IA C3NA 1.169(16) 3_665 ?
C5IA C1NA 1.220(15) 3_665 ?
C5IA C0JA 1.420(16) . ?
C5IA C7GA 1.502(17) . ?
C5IA C1EA 1.866(14) 3_665 ?
C5IA C1LA 1.908(15) 3_665 ?
C0JA C3NA 0.702(14) 3_665 ?
C0JA C4NA 1.267(14) 3_665 ?
C0JA C9MA 1.279(17) 3_665 ?
C0JA C0OA 1.939(18) 3_665 ?
C0JA C1MA 1.974(15) 3_665 ?
C4LA C2MA 0.465(13) 3_665 ?
C4LA C1HA 1.139(14) 3_665 ?
C4LA C4KA 1.324(17) 3_665 ?
C4LA C2NA 1.435(12) . ?
C4LA C1LA 1.441(12) . ?
C4LA C9LA 1.804(15) 3_665 ?
C4LA C6HA 1.864(14) 3_665 ?
C4LA C9KA 1.955(15) 3_665 ?
C7GA C7HA 0.720(13) 3_665 ?
C7GA C1EA 1.162(17) 3_665 ?
C7GA C1LA 1.276(17) 3_665 ?
C7GA C3FA 1.315(18) . ?
C7GA C4KA 1.453(19) . ?
C7GA C3NA 1.889(17) 3_665 ?
C7GA C1NA 1.956(17) 3_665 ?
C0FA C4CA 0.692(13) 3_665 ?
C0FA C9KA 1.126(17) 3_665 ?
C0FA C7JA 1.221(17) 3_665 ?
C0FA C5MA 1.389(17) . ?
C0FA C7HA 1.474(16) . ?
C0FA C4KA 1.866(16) 3_665 ?
C0FA C3FA 1.957(17) 3_665 ?
C5MA C7JA 0.736(12) 3_665 ?
C5MA C4CA 1.160(16) 3_665 ?
C5MA C1JA 1.332(16) 3_665 ?
C5MA C4MA 1.463(14) . ?
C5MA C6GA 1.876(14) 3_665 ?
C5MA C8KA 1.952(15) 3_665 ?
C2NA C9LA 1.150(13) 3_665 ?
C2NA C2MA 1.187(14) 3_665 ?
C2NA C1IA 1.423(14) . ?
C2NA C6MA 1.442(12) 3_665 ?
C2NA C2LA 1.443(11) . ?
C2NA C1HA 1.518(11) 3_665 ?
C2NA C7MA 1.716(14) 3_665 ?
C2NA C2JA 1.737(13) 3_665 ?
C3FA C1EA 0.719(12) 3_665 ?
C3FA C7HA 1.231(17) 3_665 ?
C3FA C7LA 1.356(18) 3_665 ?
C3FA C7JA 1.442(12) . ?
C3FA C4MA 1.901(17) 3_665 ?
C4IA C5KA 0.730(13) 3_665 ?
C4IA C7MA 0.799(13) 3_665 ?
C4IA C2FA 1.420(16) . ?
C4IA C1IA 1.428(13) . ?
C4IA C6IA 1.740(16) 3_665 ?
C4IA C6MA 1.801(13) 3_665 ?
C4IA C7BA 1.973(15) 3_665 ?
C4IA C2JA 2.012(15) 3_665 ?
C1LA C4KA 0.713(13) 3_665 ?
C1LA C2MA 1.305(16) 3_665 ?
C1LA C7HA 1.372(17) . ?
C1LA C1NA 1.449(12) . ?
C1LA C9LA 1.876(16) 3_665 ?
C7HA C4KA 1.165(17) 3_665 ?
C7HA C1EA 1.468(17) . ?
C7HA C9KA 1.849(15) 3_665 ?
C7HA C7JA 1.851(17) 3_665 ?
C1IA C7MA 0.707(12) 3_665 ?
C1IA C2JA 0.772(11) 3_665 ?
C1IA C6MA 1.762(13) 3_665 ?
C1IA C1HA 1.817(14) 3_665 ?
C1IA C5KA 1.935(15) 3_665 ?
C1IA C8GA 1.977(13) 3_665 ?
C2LA C9LA 0.554(14) 3_665 ?
C2LA C6MA 1.100(13) 3_665 ?
C2LA C3LA 1.399(15) . ?
C2LA C1NA 1.455(12) . ?
C2LA C2MA 1.900(15) 3_665 ?
C2FA C8KA 1.424(12) . ?
C2FA C3LA 1.438(11) . ?
C2FA C6IA 1.442(13) 3_665 ?
C2FA C6MA 1.567(13) 3_665 ?
C2FA C5KA 1.747(15) 3_665 ?
C2FA C7MA 1.806(14) 3_665 ?
C6IA C8KA 1.175(15) 3_665 ?
C6IA C1JA 1.205(17) 3_665 ?
C6IA C5KA 1.400(18) . ?
C6IA C4MA 1.467(13) . ?
C3LA C6MA 1.175(13) 3_665 ?
C3LA C0LA 1.426(11) . ?
C3LA C9LA 1.930(15) 3_665 ?
C4MA C1JA 0.497(14) 3_665 ?
C4MA C7JA 1.315(18) 3_665 ?
C4MA C7LA 1.369(18) . ?
C4MA C8KA 1.883(16) 3_665 ?
C6GA C4OA 1.374(14) . ?
C6GA C9IA 1.411(15) . ?
C6GA C4CA 1.514(15) . ?
C9IA C8KA 1.413(12) . ?
C9IA C0LA 1.444(11) . ?
C7JA C4CA 1.386(17) . ?
C7JA C1JA 1.444(13) . ?
C7JA C7LA 1.974(18) 3_665 ?
C8KA C1JA 1.421(16) . ?
C4CA C9KA 1.364(17) . ?
C3OA C6HA 1.420(16) . ?
C3OA C4OA 1.424(12) . ?
C3OA C2OA 1.437(13) . ?
C6HA C9KA 1.427(13) . ?
C6HA C1HA 1.438(12) . ?
C4KA C2MA 1.428(14) . ?
C4KA C9KA 1.452(13) . ?
C1JA C7LA 1.855(16) 3_665 ?
C0LA C1MA 1.368(14) . ?
C1MA C5OA 1.421(15) . ?
C1MA C4NA 1.508(15) . ?
C9MA C0OA 1.36(2) . ?
C9MA C6NA 1.440(13) . ?
C9MA C3NA 1.451(14) . ?
C5OA C0OA 1.427(14) . ?
C5OA C4OA 1.442(12) . ?
C2OA C8GA 1.408(17) . ?
C2OA C0OA 1.438(13) . ?
C6NA C7BA 1.388(18) . ?
C6NA C7LA 1.427(14) . ?
C1EA C7LA 1.430(14) . ?
C1EA C3NA 1.443(13) . ?
C4NA C1NA 1.382(15) . ?
C4NA C3NA 1.419(15) . ?
C1NA C9LA 1.296(15) 3_665 ?
C1NA C2MA 1.954(16) 3_665 ?
C7BA C8GA 1.437(14) . ?
C7BA C5KA 1.444(14) . ?
C8GA C2JA 1.453(13) . ?
C2JA C1HA 1.398(16) . ?
C2JA C7MA 1.424(13) . ?
C2MA C9LA 1.365(17) . ?
C2MA C1HA 1.433(12) . ?
C6MA C7MA 1.409(16) . ?
C6MA C9LA 1.430(12) . ?
C7MA C5KA 1.442(13) . ?
C1 C2 1.4001(11) . ?
C1 C4 1.4002(11) . ?
C1 C3 1.4003(11) . ?
C6OA C8NA 1.40(2) . ?
C6OA C2 1.46(2) . ?
C6OA C9NA 1.47(2) . ?
C2 C2UA 1.51(3) . ?
C7OA C3PA 1.40(2) . ?
C7OA C5PA 1.45(2) . ?
C7OA C4PA 1.46(3) . ?
C9NA C0PA 1.36(2) . ?
C9NA C3UA 1.42(2) . ?
C4PA C3QA 1.36(2) . ?
C4PA C0PA 1.48(2) . ?
C0PA C2PA 1.37(2) . ?
C7QA C3 1.401(19) . ?
C7QA C8NA 1.433(14) . ?
C7QA C2QA 1.440(15) . ?
C2PA C5TA 1.37(2) . ?
C2PA C5PA 1.42(2) . ?
C5PA C6PA 1.39(2) . ?
C3QA C8NA 1.451(15) . ?
C3QA C9QA 1.452(16) . ?
C3PA C3SA 1.376(15) . ?
C3PA C9OA 1.404(14) . ?
C6PA C0SA 1.414(16) . ?
C6PA C8OA 1.417(16) . ?
C9OA C1RA 1.405(12) . ?
C9OA C8OA 1.44(2) . ?
C8OA C8PA 1.417(16) . ?
C3SA C2SA 1.4001(11) . ?
C3SA C9QA 1.51(2) . ?
C9QA C2QA 1.439(15) . ?
C3UA C1UA 1.33(2) . ?
C3UA C2UA 1.43(2) . ?
C5TA C1UA 1.400(17) . ?
C5TA C7EA 1.402(16) . ?
C1UA C4UA 1.404(16) . ?
C0QA C8PA 1.41(2) . ?
C0QA C6RA 1.46(2) . ?
C0QA C8QA 1.541(19) . ?
C8QA C1RA 1.4002(11) . ?
C8QA C1OA 1.50(2) . ?
C1RA C2SA 1.376(13) . ?
C8PA C9RA 1.414(16) . ?
C2QA C7SA 1.479(19) . ?
C3 C5QA 1.52(2) . ?
C5QA C7TA 1.406(15) . ?
C5QA C4RA 1.429(14) . ?
C4RA C7SA 1.4002(11) . ?
C4RA C7RA 1.4002(11) . ?
C2SA C6SA 1.460(16) . ?
C7SA C6SA 1.521(17) . ?
C6SA C5SA 1.465(19) . ?
C9RA C0SA 1.419(16) . ?
C9RA C9PA 1.46(2) . ?
C0SA C7EA 1.41(2) . ?
C7EA C1SA 1.426(16) . ?
C9PA C2RA 1.4001(11) . ?
C9PA C4SA 1.46(2) . ?
C2RA C2TA 1.44(2) . ?
C2RA C6RA 1.46(2) . ?
C6RA C7NA 1.47(3) . ?
C1OA C5SA 1.28(2) . ?
C1OA C5RA 1.42(3) . ?
C5SA C0RA 1.346(19) . ?
C4SA C1SA 1.42(2) . ?
C4SA C4QA 1.42(2) . ?
C1SA C4UA 1.398(16) . ?
C3TA C7NA 1.38(2) . ?
C3TA C2TA 1.39(2) . ?
C3TA C1PA 1.399(19) . ?
C4QA C6QA 1.403(16) . ?
C4QA C0TA 1.423(15) . ?
C0TA C2TA 1.4000(11) . ?
C0TA C3RA 1.409(15) . ?
C0RA C8RA 1.4000(11) . ?
C0RA C7RA 1.4003(11) . ?
C5RA C8RA 1.35(3) . ?
C5RA C7NA 1.46(2) . ?
C7RA C5UA 1.4000(11) . ?
C5UA C7TA 1.405(15) . ?
C5UA C9TA 1.42(2) . ?
C9TA C6TA 1.395(16) . ?
C9TA C9SA 1.4000(11) . ?
C9SA C1PA 1.400(15) . ?
C9SA C8RA 1.428(19) . ?
C8SA C3RA 1.381(18) . ?
C8SA C1PA 1.407(14) . ?
C8SA C6TA 1.409(14) . ?
C6QA C8TA 1.422(15) . ?
C6QA C0UA 1.44(2) . ?
C0UA C4UA 1.37(2) . ?
C0UA C1TA 1.44(2) . ?
C6TA C4TA 1.4000(11) . ?
C3RA C8TA 1.422(15) . ?
C4 C5 1.486(17) . ?
C4 C1QA 1.487(16) . ?
C7TA C5 1.18(4) . ?
C1TA C2UA 1.36(2) . ?
C1TA C1QA 1.41(2) . ?
C1QA C7PA 1.474(15) . ?
C4TA C7PA 1.465(15) . ?
C4TA C5 1.482(17) . ?
C7PA C8TA 1.38(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
C006 C004 C009 120.9(4) . . ?
C00B C005 C00H 119.3(4) . . ?
C00B C005 C009 116.8(4) . . ?
C00H C005 C009 122.0(4) . . ?
C004 C006 C00X 121.4(4) . . ?
C01K C007 C015 117.6(4) . . ?
C01K C007 C00Y 122.6(4) . . ?
C015 C007 C00Y 119.7(4) . . ?
C00T C008 C00O 121.1(4) . . ?
C00I C009 C004 116.9(4) . . ?
C00I C009 C005 124.3(4) . . ?
C004 C009 C005 117.3(4) . . ?
C00R C00A C00P 119.3(4) . . ?
C00R C00A C00H 121.9(4) . . ?
C00P C00A C00H 118.3(4) . . ?
C005 C00B C00Y 119.9(4) . . ?
C005 C00B C00K 123.3(4) . . ?
C00Y C00B C00K 115.6(4) . . ?
C01J C00C C00S 121.4(4) . . ?
C01T C00E C016 120.5(4) . . ?
C01P C00F C01C 116.6(4) . . ?
C01P C00F C00W 120.5(5) . . ?
C01C C00F C00W 122.0(4) . . ?
C00H C00G C00J 119.8(4) . . ?
C00H C00G C00L 118.7(4) . . ?
C00J C00G C00L 121.4(4) . . ?
C00G C00H C005 120.2(4) . . ?
C00G C00H C00A 118.3(4) . . ?
C005 C00H C00A 121.5(4) . . ?
C00M C00I C009 121.6(4) . . ?
C00Y C00J C00G 118.5(4) . . ?
C00Y C00J C00O 116.8(4) . . ?
C00G C00J C00O 122.2(4) . . ?
C012 C00K C013 117.8(4) . . ?
C012 C00K C00B 122.5(4) . . ?
C013 C00K C00B 119.1(4) . . ?
C00N C00L C014 119.4(4) . . ?
C00N C00L C00G 121.7(4) . . ?
C014 C00L C00G 118.5(4) . . ?
C00I C00M C00X 121.0(4) . . ?
C01N C00N C00L 122.3(4) . . ?
C01J C00O C008 117.6(4) . . ?
C01J C00O C00J 124.4(4) . . ?
C008 C00O C00J 116.0(4) . . ?
C00A C00P C02E 117.8(4) . . ?
C00A C00P C014 119.0(4) . . ?
C02E C00P C014 121.7(4) . . ?
C01B C00Q C026 117.3(5) . . ?
C01B C00Q C016 124.9(4) . . ?
C026 C00Q C016 116.6(4) . . ?
C025 C00R C00A 121.8(4) . . ?
C00C C00S C00T 117.3(4) . . ?
C00C C00S C01X 124.5(4) . . ?
C00T C00S C01X 117.5(4) . . ?
C008 C00T C00S 120.8(4) . . ?
C01E C00U C00W 121.4(4) . . ?
C01T C00V C022 118.5(5) . . ?
C01T C00V C00Z 119.6(4) . . ?
C022 C00V C00Z 120.3(4) . . ?
C00U C00W C021 116.7(4) . . ?
C00U C00W C00F 121.7(4) . . ?
C021 C00W C00F 120.7(4) . . ?
C006 C00X C00M 116.6(4) . . ?
C006 C00X C01M 119.7(4) . . ?
C00M C00X C01M 122.5(4) . . ?
C00J C00Y C00B 121.0(4) . . ?
C00J C00Y C007 120.1(4) . . ?
C00B C00Y C007 117.8(4) . . ?
C017 C00Z C020 117.5(5) . . ?
C017 C00Z C00V 125.0(4) . . ?
C020 C00Z C00V 116.4(4) . . ?
C01Q C010 C01F 117.4(4) . . ?
C01Q C010 C02C 120.0(4) . . ?
C01F C010 C02C 122.6(4) . . ?
C01I C011 C02I 118.4(5) . . ?
C01I C011 C01W 120.2(4) . . ?
C02I C011 C01W 120.2(4) . . ?
C00K C012 C029 121.8(4) . . ?
C01L C013 C00K 121.0(4) . . ?
C00L C014 C02F 117.4(5) . . ?
C00L C014 C00P 119.0(4) . . ?
C02F C014 C00P 121.9(4) . . ?
C01F C015 C007 121.4(4) . . ?
C02G C016 C00E 118.1(5) . . ?
C02G C016 C00Q 121.4(4) . . ?
C00E C016 C00Q 118.1(4) . . ?
C01A C017 C00Z 120.6(4) . . ?
C02O C018 C02N 118.3(5) . . ?
C02O C018 C028 123.0(5) . . ?
C02N C018 C028 117.0(5) . . ?
C021 C019 C01Y 120.5(4) . . ?
C017 C01A C01S 122.2(5) . . ?
C01O C01B C00Q 121.2(4) . . ?
C02A C01C C00F 120.9(4) . . ?
C023 C01D C01M 120.7(5) . . ?
C00U C01E C01Y 120.9(4) . . ?
C015 C01F C010 121.3(4) . . ?
C029 C01H C01L 117.1(4) . . ?
C029 C01H C027 123.2(4) . . ?
C01L C01H C027 119.7(4) . . ?
C01R C01I C011 119.5(5) . . ?
C00C C01J C00O 120.4(4) . . ?
C01Q C01K C007 120.8(4) . . ?
C013 C01L C01H 121.4(4) . . ?
C02R C01M C01D 116.5(5) . . ?
C02R C01M C00X 119.2(4) . . ?
C01D C01M C00X 122.9(4) . . ?
C00N C01N C02J 115.6(5) . . ?
C00N C01N C030 122.7(5) . . ?
C02J C01N C030 120.6(4) . . ?
C01B C01O C01W 121.6(4) . . ?
C01Z C01P C00F 121.9(5) . . ?
C01K C01Q C010 121.5(4) . . ?
C01I C01R C01U 122.2(5) . . ?
C02L C01S C01A 116.4(5) . . ?
C02L C01S C01Y 117.8(4) . . ?
C01A C01S C01Y 124.9(4) . . ?
C00E C01T C00V 119.9(4) . . ?
C01R C01U C02H 116.1(5) . . ?
C01R C01U C01V 121.7(4) . . ?
C02H C01U C01V 121.5(4) . . ?
C023 C01V C02U 117.1(4) . . ?
C023 C01V C01U 123.1(4) . . ?
C02U C01V C01U 118.5(4) . . ?
C01O C01W C024 117.0(5) . . ?
C01O C01W C011 124.5(4) . . ?
C024 C01W C011 117.7(4) . . ?
C02A C01X C01Z 117.1(4) . . ?
C02A C01X C00S 124.2(4) . . ?
C01Z C01X C00S 117.8(4) . . ?
C019 C01Y C01E 116.7(5) . . ?
C019 C01Y C01S 120.5(4) . . ?
C01E C01Y C01S 121.5(4) . . ?
C01P C01Z C01X 120.9(4) . . ?
C02L C020 C00Z 120.9(4) . . ?
C019 C021 C00W 121.7(4) . . ?
C02G C022 C00V 119.4(4) . . ?
C01D C023 C01V 121.8(4) . . ?
C026 C024 C01W 121.4(4) . . ?
C00R C025 C02B 116.4(4) . . ?
C00R C025 C02D 121.3(4) . . ?
C02B C025 C02D 121.0(4) . . ?
C024 C026 C00Q 120.9(5) . . ?
C03A C027 C03J 111.0(5) . . ?
C03A C027 C034 108.8(4) . . ?
C03J C027 C034 108.2(5) . . ?
C03A C027 C01H 109.3(4) . . ?
C03J C027 C01H 107.8(4) . . ?
C034 C027 C01H 111.8(4) . . ?
C03H C028 C02S 116.9(6) . . ?
C03H C028 C018 123.4(5) . . ?
C02S C028 C018 117.8(5) . . ?
C01H C029 C012 120.6(4) . . ?
C01X C02A C01C 122.0(5) . . ?
C02E C02B C025 121.7(4) . . ?
C04I C02C C04B 110.9(6) . . ?
C04I C02C C010 107.9(5) . . ?
C04B C02C C010 110.3(5) . . ?
C04I C02C C04Q 107.5(6) . . ?
C04B C02C C04Q 108.2(6) . . ?
C010 C02C C04Q 112.1(4) . . ?
C02X C02D C02M 117.4(4) . . ?
C02X C02D C025 119.2(5) . . ?
C02M C02D C025 122.7(4) . . ?
C02B C02E C00P 120.1(5) . . ?
C02J C02F C014 120.1(5) . . ?
C022 C02G C016 121.2(5) . . ?
C02I C02H C01U 121.5(5) . . ?
C02H C02I C011 120.2(5) . . ?
C02F C02J C01N 121.9(5) . . ?
C02Q C02K C02P 116.6(5) . . ?
C02Q C02K C031 121.0(5) . . ?
C02P C02K C031 121.4(5) . . ?
C020 C02L C01S 122.0(4) . . ?
C02V C02M C02D 120.0(5) . . ?
C02Q C02N C018 119.3(5) . . ?
C02P C02O C018 121.2(5) . . ?
C02O C02P C02K 120.6(5) . . ?
C02K C02Q C02N 122.6(5) . . ?
C02U C02R C01M 122.4(5) . . ?
C02W C02S C028 120.3(5) . . ?
C02X C02T C037 122.2(5) . . ?
C02R C02U C01V 121.2(5) . . ?
C037 C02V C02M 122.2(5) . . ?
C02S C02W C033 121.4(5) . . ?
C02T C02X C02D 120.8(5) . . ?
C036 C02Y C03M 117.3(7) . . ?
C036 C02Y C03D 118.7(5) . . ?
C03M C02Y C03D 122.9(6) . . ?
C03E C02Z C03F 115.8(6) . . ?
C03E C02Z C039 124.7(5) . . ?
C03F C02Z C039 118.0(6) . . ?
C03T C030 C03K 115.6(5) . . ?
C03T C030 C01N 119.3(5) . . ?
C03K C030 C01N 123.8(5) . . ?
C03L C031 C03N 116.1(5) . . ?
C03L C031 C02K 119.2(5) . . ?
C03N C031 C02K 123.2(5) . . ?
C038 C032 C035 121.0(5) . . ?
C03R C033 C02W 116.9(6) . . ?
C03R C033 C03I 123.3(6) . . ?
C02W C033 C03I 117.4(6) . . ?
C032 C035 C03G 115.9(5) . . ?
C032 C035 C037 119.3(4) . . ?
C03G C035 C037 123.1(5) . . ?
C03F C036 C02Y 121.6(6) . . ?
C02V C037 C02T 116.7(5) . . ?
C02V C037 C035 124.2(5) . . ?
C02T C037 C035 117.9(5) . . ?
C032 C038 C039 121.6(5) . . ?
C038 C039 C03B 115.5(6) . . ?
C038 C039 C02Z 120.8(5) . . ?
C03B C039 C02Z 122.4(5) . . ?
C03G C03B C039 120.8(5) . . ?
C03O C03D C03P 115.8(7) . . ?
C03O C03D C02Y 123.0(7) . . ?
C03P C03D C02Y 119.4(6) . . ?
C03M C03E C02Z 123.0(6) . . ?
C036 C03F C02Z 121.3(6) . . ?
C03B C03G C035 121.9(5) . . ?
C03R C03H C028 120.7(6) . . ?
C03V C03I C03S 117.0(7) . . ?
C03V C03I C033 117.4(6) . . ?
C03S C03I C033 124.4(6) . . ?
C03N C03K C030 123.0(5) . . ?
C03T C03L C031 122.4(5) . . ?
C03E C03M C02Y 120.2(6) . . ?
C03K C03N C031 120.5(6) . . ?
C03S C03O C03D 121.9(7) . . ?
C03V C03P C03D 122.8(6) . . ?
C03H C03R C033 121.4(6) . . ?
C03O C03S C03I 120.9(6) . . ?
C030 C03T C03L 121.8(6) . . ?
C03P C03V C03I 120.3(7) . . ?
C040 C03Y C05O 123.5(7) . . ?
C040 C03Y C063 123.2(7) . . ?
C05O C03Y C063 106.1(7) . . ?
C04N C03Z C05Y 121.3(6) . . ?
C04N C03Z C04A 121.8(7) . . ?
C05Y C03Z C04A 108.2(6) . . ?
C03Y C040 C05C 116.2(6) . . ?
C03Y C040 C04N 120.1(7) . . ?
C05C C040 C04N 117.3(7) . . ?
C05D C041 C058 124.1(7) . . ?
C05D C041 C04J 119.9(6) . . ?
C058 C041 C04J 107.7(6) . . ?
C05J C044 C04T 121.7(7) . . ?
C05J C044 C04H 120.0(7) . . ?
C04T C044 C04H 107.1(6) . . ?
C04U C047 C052 122.5(6) . . ?
C04U C047 C04T 121.5(6) . . ?
C052 C047 C04T 106.7(6) . . ?
C05A C04A C03Z 119.1(7) . . ?
C05A C04A C04D 118.9(7) . . ?
C03Z C04A C04D 109.6(6) . . ?
C05T C04D C04Y 121.3(7) . . ?
C05T C04D C04A 119.8(8) . . ?
C04Y C04D C04A 106.8(7) . . ?
C05B C04G C04U 123.2(7) . . ?
C05B C04G C04V 108.3(6) . . ?
C04U C04G C04V 119.4(6) . . ?
C05M C04H C052 121.1(7) . . ?
C05M C04H C044 120.8(7) . . ?
C052 C04H C044 107.0(6) . . ?
C055 C04J C05H 122.8(6) . . ?
C055 C04J C041 121.5(6) . . ?
C05H C04J C041 107.2(6) . . ?
C059 C04K C06H 124.3(7) . . ?
C059 C04K C05C 120.6(7) . . ?
C06H C04K C05C 106.5(7) . . ?
C05I C04L C05D 122.1(7) . . ?
C05I C04L C05W 109.2(7) . . ?
C05D C04L C05W 120.5(7) . . ?
C03Z C04N C053 117.5(6) . . ?
C03Z C04N C040 119.4(7) . . ?
C053 C04N C040 116.2(7) . . ?
C05J C04O C05E 119.2(6) . . ?
C05J C04O C056 108.4(6) . . ?
C05E C04O C056 114.9(7) . . ?
C05B C04R C05W 120.2(7) . . ?
C05B C04R C05N 120.7(7) . . ?
C05W C04R C05N 106.7(7) . . ?
C05P C04T C044 121.8(7) . . ?
C05P C04T C047 120.3(6) . . ?
C044 C04T C047 108.8(6) . . ?
C047 C04U C04G 117.8(6) . . ?
C047 C04U C055 119.1(6) . . ?
C04G C04U C055 116.4(6) . . ?
C05P C04V C04G 122.1(6) . . ?
C05P C04V C051 120.5(6) . . ?
C04G C04V C051 107.1(7) . . ?
C056 C04Y C04D 120.9(7) . . ?
C056 C04Y C05Y 120.3(6) . . ?
C04D C04Y C05Y 107.1(7) . . ?
C06O C051 C067 122.2(7) . . ?
C06O C051 C04V 119.4(7) . . ?
C067 C051 C04V 107.6(6) . . ?
C05H C052 C047 120.3(7) . . ?
C05H C052 C04H 119.6(6) . . ?
C047 C052 C04H 110.3(6) . . ?
C06L C053 C04N 122.9(7) . . ?
C06L C053 C062 107.7(6) . . ?
C04N C053 C062 120.0(7) . . ?
C05W C055 C04J 116.7(6) . . ?
C05W C055 C04U 119.3(6) . . ?
C04J C055 C04U 117.0(6) . . ?
C04Y C056 C06M 121.2(8) . . ?
C04Y C056 C04O 121.0(7) . . ?
C06M C056 C04O 106.5(7) . . ?
C06H C058 C041 119.2(7) . . ?
C06H C058 C05Q 120.7(7) . . ?
C041 C058 C05Q 109.0(6) . . ?
C063 C059 C04K 117.7(7) . . ?
C063 C059 C05D 118.9(7) . . ?
C04K C059 C05D 116.4(7) . . ?
C04A C05A C05C 121.0(7) . . ?
C04A C05A C06E 120.1(7) . . ?
C05C C05A C06E 108.7(7) . . ?
C04R C05B C04G 119.0(7) . . ?
C04R C05B C067 120.4(7) . . ?
C04G C05B C067 109.5(7) . . ?
C05A C05C C040 121.1(7) . . ?
C05A C05C C04K 109.3(7) . . ?
C040 C05C C04K 120.3(7) . . ?
C041 C05D C04L 119.1(7) . . ?
C041 C05D C059 116.6(6) . . ?
C04L C05D C059 116.3(7) . . ?
C05T C05E C04O 122.3(7) . . ?
C05T C05E C05M 110.1(7) . . ?
C04O C05E C05M 118.9(7) . . ?
C052 C05H C05Q 119.2(7) . . ?
C052 C05H C04J 117.9(6) . . ?
C05Q C05H C04J 109.9(6) . . ?
C061 C05I C04L 121.9(8) . . ?
C061 C05I C05N 119.7(7) . . ?
C04L C05I C05N 107.1(7) . . ?
C044 C05J C04O 121.3(7) . . ?
C044 C05J C06Y 118.2(7) . . ?
C04O C05J C06Y 108.7(7) . . ?
C05Q C05K C06K 121.1(7) . . ?
C05Q C05K C05M 118.6(6) . . ?
C06K C05K C05M 109.4(7) . . ?
C06J C05L C06G 123.4(8) . . ?
C06J C05L C060 118.1(7) . . ?
C06G C05L C060 107.4(7) . . ?
C04H C05M C05E 119.3(7) . . ?
C04H C05M C05K 119.8(7) . . ?
C05E C05M C05K 105.0(7) . . ?
C068 C05N C05I 119.7(7) . . ?
C068 C05N C04R 118.6(8) . . ?
C05I C05N C04R 108.6(6) . . ?
C06L C05O C03Y 117.6(7) . . ?
C06L C05O C06I 119.3(8) . . ?
C03Y C05O C06I 111.3(6) . . ?
C04T C05P C04V 116.7(6) . . ?
C04T C05P C076 117.6(7) . . ?
C04V C05P C076 118.5(6) . . ?
C05K C05Q C05H 121.7(7) . . ?
C05K C05Q C058 118.9(7) . . ?
C05H C05Q C058 106.2(6) . . ?
C04D C05T C05E 119.4(7) . . ?
C04D C05T C06K 121.9(8) . . ?
C05E C05T C06K 106.8(7) . . ?
C055 C05W C04R 121.6(8) . . ?
C055 C05W C04L 120.6(7) . . ?
C04R C05W C04L 108.4(7) . . ?
C06D C05X C064 121.8(7) . . ?
C06D C05X C062 119.0(7) . . ?
C064 C05X C062 108.1(6) . . ?
C03Z C05Y C06C 121.9(7) . . ?
C03Z C05Y C04Y 108.3(6) . . ?
C06C C05Y C04Y 120.2(7) . . ?
C064 C060 C06Z 121.2(7) . . ?
C064 C060 C05L 120.4(8) . . ?
C06Z C060 C05L 106.1(6) . . ?
C05I C061 C06I 121.4(8) . . ?
C05I C061 C063 119.4(7) . . ?
C06I C061 C063 107.4(6) . . ?
C06C C062 C053 120.4(7) . . ?
C06C C062 C05X 122.5(7) . . ?
C053 C062 C05X 106.4(6) . . ?
C059 C063 C03Y 119.8(7) . . ?
C059 C063 C061 120.9(7) . . ?
C03Y C063 C061 108.2(7) . . ?
C060 C064 C05X 119.3(8) . . ?
C060 C064 C06L 121.4(8) . . ?
C05X C064 C06L 108.2(6) . . ?
C066 C065 C06M 118.5(8) . . ?
C066 C065 C06C 118.3(7) . . ?
C06M C065 C06C 118.0(7) . . ?
C065 C066 C06D 122.7(7) . . ?
C065 C066 C06X 119.8(7) . . ?
C06D C066 C06X 106.6(7) . . ?
C06G C067 C05B 120.3(8) . . ?
C06G C067 C051 119.3(8) . . ?
C05B C067 C051 107.4(6) . . ?
C05N C068 C06Z 121.4(8) . . ?
C05N C068 C06G 119.8(7) . . ?
C06Z C068 C06G 107.1(7) . . ?
C7CA C2CA C08I 114.6(14) . . ?
C7CA C2CA C0EA 119.3(8) . . ?
C08I C2CA C0EA 119.8(13) . . ?
C062 C06C C05Y 116.5(7) . . ?
C062 C06C C065 117.9(7) . . ?
C05Y C06C C065 118.4(7) . . ?
C05X C06D C06J 119.2(8) . . ?
C05X C06D C066 119.6(7) . . ?
C06J C06D C066 108.5(7) . . ?
C06K C06E C05A 120.8(8) . . ?
C06K C06E C06H 121.4(7) . . ?
C05A C06E C06H 104.8(7) . . ?
C067 C06G C05L 119.3(8) . . ?
C067 C06G C068 120.1(7) . . ?
C05L C06G C068 108.0(7) . . ?
C058 C06H C04K 119.0(7) . . ?
C058 C06H C06E 118.4(8) . . ?
C04K C06H C06E 110.7(7) . . ?
C06Z C06I C05O 120.4(7) . . ?
C06Z C06I C061 119.1(7) . . ?
C05O C06I C061 106.9(6) . . ?
C05L C06J C06D 121.2(8) . . ?
C05L C06J C06O 117.9(7) . . ?
C06D C06J C06O 108.6(7) . . ?
C06E C06K C05K 119.5(7) . . ?
C06E C06K C05T 118.3(7) . . ?
C05K C06K C05T 108.6(7) . . ?
C05O C06L C053 119.5(8) . . ?
C05O C06L C064 118.8(7) . . ?
C053 C06L C064 109.6(7) . . ?
C056 C06M C065 121.6(8) . . ?
C056 C06M C06Y 108.5(7) . . ?
C065 C06M C06Y 119.9(7) . . ?
C051 C06O C06X 121.1(7) . . ?
C051 C06O C06J 117.9(8) . . ?
C06X C06O C06J 108.2(7) . . ?
C5EA C06V C3BA 122.7(17) . . ?
C5EA C06V C07G 118.3(19) . . ?
C3BA C06V C07G 109.9(19) . . ?
C06O C06X C076 121.2(8) . . ?
C06O C06X C066 108.1(7) . . ?
C076 C06X C066 120.9(7) . . ?
C05J C06Y C076 121.2(7) . . ?
C05J C06Y C06M 107.7(7) . . ?
C076 C06Y C06M 121.8(7) . . ?
C068 C06Z C06I 118.6(7) . . ?
C068 C06Z C060 111.4(8) . . ?
C06I C06Z C060 118.9(7) . . ?
C1AA C073 C0BA 126(2) . . ?
C1AA C073 C9CA 106(2) . . ?
C0BA C073 C9CA 112.1(18) . . ?
C0EA C3MA C3JA 108.7(10) . . ?
C0EA C3MA C8JA 119.1(8) . . ?
C3JA C3MA C8JA 118.9(8) . . ?
C06X C076 C06Y 115.8(8) . . ?
C06X C076 C05P 119.0(8) . . ?
C06Y C076 C05P 119.2(7) . . ?
C1CA C0CA C6CA 121.4(9) . . ?
C1CA C0CA C0EA 125.7(15) . . ?
C6CA C0CA C0EA 107.0(13) . . ?
C1AA C8LA C6JA 107.1(8) . . ?
C1AA C8LA C6AA 124.2(17) . . ?
C6JA C8LA C6AA 120.0(8) . . ?
C0DA C8BA C1AA 123.4(18) . . ?
C0DA C8BA C9BA 119.6(8) . . ?
C1AA C8BA C9BA 107.7(7) . . ?
C8BA C1AA C073 109.8(19) . . ?
C8BA C1AA C8LA 109.0(8) . . ?
C073 C1AA C8LA 131(2) . . ?
C4AA C6JA C9BA 124.5(17) . . ?
C4AA C6JA C8LA 120.6(8) . . ?
C9BA C6JA C8LA 107.7(7) . . ?
C0BA C8FA C7FA 119.7(9) . . ?
C0BA C8FA C07G 126.9(17) . . ?
C7FA C8FA C07G 105.7(14) . . ?
C8CA C07G C06V 127(2) . . ?
C8CA C07G C8FA 115.9(19) . . ?
C06V C07G C8FA 105.3(19) . . ?
C4GA C2EA C9CA 108.2(7) . . ?
C4GA C2EA C6AA 116.9(15) . . ?
C9CA C2EA C6AA 123.8(17) . . ?
C8EA C4DA C8CA 126.2(16) . . ?
C8EA C4DA C4GA 119.1(8) . . ?
C8CA C4DA C4GA 107.6(7) . . ?
C8CA C9CA C2EA 108.1(8) . . ?
C8CA C9CA C073 119.9(17) . . ?
C2EA C9CA C073 125.9(17) . . ?
C1CA C2BA C7AA 108.4(7) . . ?
C1CA C2BA C08I 123.6(14) . . ?
C7AA C2BA C08I 116.5(13) . . ?
C2CA C0EA C3MA 119.8(8) . . ?
C2CA C0EA C0CA 123.2(13) . . ?
C3MA C0EA C0CA 107.0(12) . . ?
C06V C5EA C4EA 123.7(17) . . ?
C06V C5EA C8EA 118.6(15) . . ?
C4EA C5EA C8EA 108.1(8) . . ?
C07G C8CA C9CA 128(2) . . ?
C07G C8CA C4DA 112.9(19) . . ?
C9CA C8CA C4DA 108.4(8) . . ?
C6CA C3JA C5AA 118.0(8) . . ?
C6CA C3JA C3MA 109.4(11) . . ?
C5AA C3JA C3MA 121.5(8) . . ?
C5DA C0BA C8FA 120.2(9) . . ?
C5DA C0BA C073 118.8(17) . . ?
C8FA C0BA C073 116.3(18) . . ?
C2AA C7CA C2CA 121.0(11) . . ?
C2AA C7CA C9JA 109.4(7) . . ?
C2CA C7CA C9JA 121.5(8) . . ?
C8AA C4GA C2EA 122.0(16) . . ?
C8AA C4GA C4DA 119.8(9) . . ?
C2EA C4GA C4DA 107.5(7) . . ?
C8JA C9JA C7CA 120.0(8) . . ?
C8JA C9JA C0KA 120.3(7) . . ?
C7CA C9JA C0KA 105.5(7) . . ?
C8LA C6AA C8MA 118.5(9) . . ?
C8LA C6AA C2EA 108.2(18) . . ?
C8MA C6AA C2EA 117.3(15) . . ?
C7FA C3BA C06V 109.1(15) . . ?
C7FA C3BA C4BA 121.7(8) . . ?
C06V C3BA C4BA 115.7(14) . . ?
C7DA C2AA C7CA 119.3(13) . . ?
C7DA C2AA C9DA 120.3(8) . . ?
C7CA C2AA C9DA 109.5(7) . . ?
C8DA C1FA C8EA 120.4(8) . . ?
C8DA C1FA C3EA 121.1(8) . . ?
C8EA C1FA C3EA 107.1(7) . . ?
C2AA C7DA C1DA 123.9(13) . . ?
C2AA C7DA C6DA 119.5(8) . . ?
C1DA C7DA C6DA 109.1(7) . . ?
C1FA C8DA C5AA 119.7(8) . . ?
C1FA C8DA C8AA 116.9(8) . . ?
C5AA C8DA C8AA 113.2(14) . . ?
C4DA C8EA C1FA 122.5(8) . . ?
C4DA C8EA C5EA 116.5(16) . . ?
C1FA C8EA C5EA 108.9(7) . . ?
C08I C1DA C7DA 114.2(15) . . ?
C08I C1DA C3DA 124.2(15) . . ?
C7DA C1DA C3DA 109.0(8) . . ?
C6DA C5BA C2GA 116.0(17) . . ?
C6DA C5BA C6EA 120.7(8) . . ?
C2GA C5BA C6EA 108.2(7) . . ?
C6BA C7AA C4BA 120.9(8) . . ?
C6BA C7AA C2BA 125.3(14) . . ?
C4BA C7AA C2BA 107.3(7) . . ?
C7AA C4BA C0AA 108.5(7) . . ?
C7AA C4BA C3BA 118.3(8) . . ?
C0AA C4BA C3BA 116.5(13) . . ?
C5BA C6DA C7DA 119.6(8) . . ?
C5BA C6DA C2DA 129.9(15) . . ?
C7DA C6DA C2DA 106.3(7) . . ?
C8BA C0DA C5DA 124.1(17) . . ?
C8BA C0DA C1GA 119.2(8) . . ?
C5DA C0DA C1GA 107.3(7) . . ?
C2GA C1GA C0DA 120.2(8) . . ?
C2GA C1GA C0GA 121.1(17) . . ?
C0DA C1GA C0GA 107.9(7) . . ?
C1DA C08I C2CA 126.5(17) . . ?
C1DA C08I C2BA 112.1(14) . . ?
C2CA C08I C2BA 111.3(14) . . ?
C0BA C5DA C0DA 115.5(17) . . ?
C0BA C5DA C9EA 120.3(9) . . ?
C0DA C5DA C9EA 108.3(7) . . ?
C4GA C8AA C8DA 120.9(9) . . ?
C4GA C8AA C5JA 127.6(19) . . ?
C8DA C8AA C5JA 101.8(16) . . ?
C3BA C7FA C8FA 110.0(14) . . ?
C3BA C7FA C6FA 120.2(8) . . ?
C8FA C7FA C6FA 118.2(8) . . ?
C2DA C3DA C1DA 106.4(7) . . ?
C2DA C3DA C6BA 119.4(8) . . ?
C1DA C3DA C6BA 126.0(14) . . ?
C4EA C0AA C4BA 124.9(15) . . ?
C4EA C0AA C1CA 119.4(8) . . ?
C4BA C0AA C1CA 106.6(7) . . ?
C0AA C4EA C5EA 116.4(15) . . ?
C0AA C4EA C3EA 121.5(8) . . ?
C5EA C4EA C3EA 109.0(7) . . ?
C9DA C6EA C0HA 120.0(8) . . ?
C9DA C6EA C5BA 119.0(7) . . ?
C0HA C6EA C5BA 108.6(7) . . ?
C5HA C5AA C8DA 108.1(14) . . ?
C5HA C5AA C3JA 120.7(8) . . ?
C8DA C5AA C3JA 119.4(8) . . ?
C1GA C2GA C5BA 119.3(17) . . ?
C1GA C2GA C3GA 120.7(8) . . ?
C5BA C2GA C3GA 107.1(7) . . ?
C9JA C8JA C3MA 117.4(7) . . ?
C9JA C8JA C3CA 118.0(7) . . ?
C3MA C8JA C3CA 118.5(7) . . ?
C3EA C6CA C3JA 122.0(8) . . ?
C3EA C6CA C0CA 118.4(8) . . ?
C3JA C6CA C0CA 107.7(12) . . ?
C6FA C9EA C0GA 121.5(8) . . ?
C6FA C9EA C5DA 120.1(8) . . ?
C0GA C9EA C5DA 107.7(7) . . ?
C7AA C6BA C3DA 113.8(13) . . ?
C7AA C6BA C6FA 120.0(8) . . ?
C3DA C6BA C6FA 118.6(8) . . ?
C2DA C0GA C9EA 119.7(8) . . ?
C2DA C0GA C1GA 119.5(17) . . ?
C9EA C0GA C1GA 108.6(7) . . ?
C9EA C6FA C6BA 119.1(7) . . ?
C9EA C6FA C7FA 118.2(7) . . ?
C6BA C6FA C7FA 118.1(7) . . ?
C0MA C0KA C9DA 119.6(8) . . ?
C0MA C0KA C9JA 121.9(7) . . ?
C9DA C0KA C9JA 108.0(7) . . ?
C0KA C0MA C3AA 121.6(8) . . ?
C0KA C0MA C5LA 120.3(8) . . ?
C3AA C0MA C5LA 109.3(7) . . ?
C6EA C9DA C2AA 120.4(7) . . ?
C6EA C9DA C0KA 121.7(7) . . ?
C2AA C9DA C0KA 107.5(7) . . ?
C0CA C1CA C2BA 116.2(15) . . ?
C0CA C1CA C0AA 119.9(9) . . ?
C2BA C1CA C0AA 108.6(7) . . ?
C0GA C2DA C3DA 121.4(8) . . ?
C0GA C2DA C6DA 113.4(16) . . ?
C3DA C2DA C6DA 108.2(8) . . ?
C6CA C3EA C4EA 118.7(8) . . ?
C6CA C3EA C1FA 119.7(8) . . ?
C4EA C3EA C1FA 107.0(7) . . ?
C8MA C5JA C8AA 114(2) . . ?
C8MA C5JA C5HA 118.0(9) . . ?
C8AA C5JA C5HA 107.1(17) . . ?
C9BA C3GA C0HA 122.7(15) . . ?
C9BA C3GA C2GA 119.5(8) . . ?
C0HA C3GA C2GA 108.4(7) . . ?
C5LA C0HA C6EA 119.3(8) . . ?
C5LA C0HA C3GA 125.2(14) . . ?
C6EA C0HA C3GA 107.6(7) . . ?
C3GA C9BA C8BA 120.1(8) . . ?
C3GA C9BA C6JA 112.6(17) . . ?
C8BA C9BA C6JA 107.7(8) . . ?
C0HA C5LA C4AA 115.7(17) . . ?
C0HA C5LA C0MA 118.2(8) . . ?
C4AA C5LA C0MA 107.8(7) . . ?
C12 C4HA C3HA 113.6(7) . . ?
C3HA C2HA C9FA 111.3(7) . . ?
C2HA C3HA C4HA 115.5(7) . . ?
C2HA C9FA C5GA 108.7(6) . . ?
C3AA C3CA C5HA 119.1(7) . . ?
C3AA C3CA C8JA 119.1(7) . . ?
C5HA C3CA C8JA 118.8(7) . . ?
C8MA C9AA C4AA 119.5(9) . . ?
C8MA C9AA C3AA 117.6(9) . . ?
C4AA C9AA C3AA 106.2(7) . . ?
C5JA C8MA C9AA 118.3(10) . . ?
C5JA C8MA C6AA 120.2(16) . . ?
C9AA C8MA C6AA 119.2(8) . . ?
C0OA C9GA C8HA 165(4) 3_665 . ?
C2OA C9GA C8HA 48.8(7) 3_665 . ?
C5OA C9GA C8HA 89.7(6) 3_665 . ?
C0OA C9GA C4FA 65(3) 3_665 . ?
C2OA C9GA C4FA 160.9(13) 3_665 . ?
C5OA C9GA C4FA 32.1(5) 3_665 . ?
C8HA C9GA C4FA 120.4(7) . . ?
C0OA C9GA C5CA 49(3) 3_665 . ?
C2OA C9GA C5CA 72.1(8) 3_665 . ?
C5OA C9GA C5CA 139.8(10) 3_665 . ?
C8HA C9GA C5CA 118.5(7) . . ?
C4FA C9GA C5CA 110.0(8) . . ?
C3OA C8HA C9GA 173(2) 3_665 . ?
C2OA C8HA C9GA 55.0(8) 3_665 . ?
C4OA C8HA C9GA 92.1(6) 3_665 . ?
C3OA C8HA C2KA 55.0(13) 3_665 . ?
C2OA C8HA C2KA 69.0(7) 3_665 . ?
C4OA C8HA C2KA 136.8(8) 3_665 . ?
C9GA C8HA C2KA 121.4(6) . . ?
C3OA C8HA C3IA 60.7(15) 3_665 . ?
C2OA C8HA C3IA 163.9(13) 3_665 . ?
C4OA C8HA C3IA 28.2(5) 3_665 . ?
C9GA C8HA C3IA 119.0(6) . . ?
C2KA C8HA C3IA 109.9(6) . . ?
C3OA C8HA C0OA 170(2) 3_665 3_665 ?
C2OA C8HA C0OA 53.0(6) 3_665 3_665 ?
C4OA C8HA C0OA 93.7(7) 3_665 3_665 ?
C9GA C8HA C0OA 3.4(9) . 3_665 ?
C2KA C8HA C0OA 118.5(7) . 3_665 ?
C3IA C8HA C0OA 120.1(7) . 3_665 ?
C7BA C3KA C5CA 105.6(16) 3_665 . ?
C8GA C3KA C5CA 104.8(13) 3_665 . ?
C7BA C3KA C2IA 123.6(16) 3_665 . ?
C8GA C3KA C2IA 18.1(11) 3_665 . ?
C5CA C3KA C2IA 120.6(7) . . ?
C7BA C3KA C4JA 14.8(14) 3_665 . ?
C8GA C3KA C4JA 126.9(13) 3_665 . ?
C5CA C3KA C4JA 118.6(7) . . ?
C2IA C3KA C4JA 108.9(6) . . ?
C9MA C5CA C0OA 70.6(11) 3_665 3_665 ?
C9MA C5CA C3KA 141.1(9) 3_665 . ?
C0OA C5CA C3KA 134.2(9) 3_665 . ?
C9MA C5CA C8IA 21.7(7) 3_665 . ?
C0OA C5CA C8IA 91.9(10) 3_665 . ?
C3KA C5CA C8IA 121.5(7) . . ?
C6NA C5CA C8IA 47.1(6) 3_665 . ?
C9MA C5CA C9GA 84.2(10) 3_665 . ?
C0OA C5CA C9GA 14.7(7) 3_665 . ?
C3KA C5CA C9GA 119.9(6) . . ?
C6NA C5CA C9GA 144.3(9) 3_665 . ?
C8IA C5CA C9GA 104.9(9) . . ?
C3OA C2KA C8HA 21.1(6) 3_665 . ?
C6HA C2KA C8HA 91.6(7) 3_665 . ?
C3OA C2KA C2IA 141.0(9) 3_665 . ?
C6HA C2KA C2IA 137.6(8) 3_665 . ?
C8HA C2KA C2IA 120.2(6) . . ?
C3OA C2KA C1KA 88.8(7) 3_665 . ?
C6HA C2KA C1KA 17.8(6) 3_665 . ?
C8HA C2KA C1KA 107.3(6) . . ?
C2IA C2KA C1KA 120.0(6) . . ?
C2OA C2KA C1KA 147.8(9) 3_665 . ?
C8GA C2IA C2KA 101.6(14) 3_665 . ?
C2JA C2IA C2KA 100.5(12) 3_665 . ?
C8GA C2IA C3KA 20.8(13) 3_665 . ?
C2JA C2IA C3KA 128.8(14) 3_665 . ?
C2KA C2IA C3KA 119.4(6) . . ?
C8GA C2IA C1IA 128.2(15) 3_665 . ?
C2JA C2IA C1IA 21.4(11) 3_665 . ?
C2KA C2IA C1IA 119.3(7) . . ?
C3KA C2IA C1IA 107.6(6) . . ?
C7LA C7IA C8IA 152(3) 3_665 . ?
C6NA C7IA C8IA 50.2(7) 3_665 . ?
C1EA C7IA C8IA 90.4(7) 3_665 . ?
C7LA C7IA C6LA 41(2) 3_665 . ?
C6NA C7IA C6LA 70.9(8) 3_665 . ?
C1EA C7IA C6LA 135.8(9) 3_665 . ?
C8IA C7IA C6LA 119.8(7) . . ?
C7LA C7IA C3FA 68(2) 3_665 . ?
C6NA C7IA C3FA 154.6(13) 3_665 . ?
C1EA C7IA C3FA 29.5(6) 3_665 . ?
C8IA C7IA C3FA 118.8(7) . . ?
C6LA C7IA C3FA 108.8(6) . . ?
C9MA C8IA C5CA 49.9(16) 3_665 . ?
C6NA C8IA C5CA 66.1(8) 3_665 . ?
C3NA C8IA C5CA 136.3(12) 3_665 . ?
C9MA C8IA C7IA 162(3) 3_665 . ?
C6NA C8IA C7IA 55.4(8) 3_665 . ?
C3NA C8IA C7IA 91.5(7) 3_665 . ?
C5CA C8IA C7IA 120.4(6) . . ?
C9MA C8IA C0JA 61.7(18) 3_665 . ?
C6NA C8IA C0JA 157.8(15) 3_665 . ?
C3NA C8IA C0JA 28.9(6) 3_665 . ?
C5CA C8IA C0JA 109.9(9) . . ?
C7IA C8IA C0JA 119.7(7) . . ?
C9MA C8IA C0OA 12.4(18) 3_665 3_665 ?
C6NA C8IA C0OA 104.6(10) 3_665 3_665 ?
C3NA C8IA C0OA 97.2(9) 3_665 3_665 ?
C5CA C8IA C0OA 40.5(6) . 3_665 ?
C7IA C8IA C0OA 150.3(10) . 3_665 ?
C0JA C8IA C0OA 69.5(7) . 3_665 ?
C7LA C8IA C0OA 143.4(9) 3_665 3_665 ?
C7LA C6LA C4JA 132.9(10) 3_665 . ?
C4MA C6LA C4JA 136.5(12) 3_665 . ?
C7LA C6LA C7IA 15.8(7) 3_665 . ?
C4MA C6LA C7IA 89.3(9) 3_665 . ?
C4JA C6LA C7IA 119.1(7) . . ?
C7LA C6LA C1JA 91.3(9) 3_665 . ?
C4MA C6LA C1JA 17.8(7) 3_665 . ?
C4JA C6LA C1JA 121.0(10) . . ?
C7IA C6LA C1JA 106.7(7) . . ?
C5KA C4JA C6LA 107.7(17) 3_665 . ?
C7BA C4JA C6LA 109.0(15) 3_665 . ?
C5KA C4JA C3KA 120.9(15) 3_665 . ?
C7BA C4JA C3KA 13.3(13) 3_665 . ?
C6LA C4JA C3KA 120.5(7) . . ?
C5KA C4JA C4IA 14.5(13) 3_665 . ?
C7BA C4JA C4IA 119.8(15) 3_665 . ?
C6LA C4JA C4IA 120.4(11) . . ?
C3KA C4JA C4IA 106.6(7) . . ?
C1MA C5FA C4FA 65.2(14) 3_665 . ?
C5OA C5FA C4FA 33.5(6) 3_665 . ?
C0LA C5FA C4FA 152.1(8) 3_665 . ?
C1MA C5FA C5NA 54.0(13) 3_665 . ?
C5OA C5FA C5NA 151.8(9) 3_665 . ?
C0LA C5FA C5NA 33.7(5) 3_665 . ?
C4FA C5FA C5NA 118.6(6) . . ?
C1MA C5FA C0IA 166(2) 3_665 . ?
C5OA C5FA C0IA 86.1(7) 3_665 . ?
C0LA C5FA C0IA 86.6(7) 3_665 . ?
C4FA C5FA C0IA 118.3(6) . . ?
C5NA C5FA C0IA 118.9(6) . . ?
C4OA C3IA C0IA 55.4(12) 3_665 . ?
C6GA C3IA C0IA 32.5(6) 3_665 . ?
C3OA C3IA C0IA 142.7(9) 3_665 . ?
C4OA C3IA C8HA 69.2(12) 3_665 . ?
C6GA C3IA C8HA 151.5(10) 3_665 . ?
C3OA C3IA C8HA 21.2(6) 3_665 . ?
C0IA C3IA C8HA 121.8(6) . . ?
C4OA C3IA C1BA 163.5(19) 3_665 . ?
C6GA C3IA C1BA 90.6(8) 3_665 . ?
C3OA C3IA C1BA 87.5(7) 3_665 . ?
C0IA C3IA C1BA 121.2(9) . . ?
C8HA C3IA C1BA 106.4(6) . . ?
C6HA C1KA C4LA 171(3) 3_665 . ?
C1HA C1KA C4LA 52.2(7) 3_665 . ?
C9KA C1KA C4LA 90.4(7) 3_665 . ?
C6HA C1KA C1BA 59.5(17) 3_665 . ?
C1HA C1KA C1BA 161.1(13) 3_665 . ?
C9KA C1KA C1BA 30.8(5) 3_665 . ?
C4LA C1KA C1BA 119.6(7) . . ?
C6HA C1KA C2KA 54.4(17) 3_665 . ?
C1HA C1KA C2KA 71.4(7) 3_665 . ?
C9KA C1KA C2KA 137.3(9) 3_665 . ?
C4LA C1KA C2KA 121.0(7) . . ?
C1BA C1KA C2KA 108.0(6) . . ?
C5OA C4FA C0OA 82.2(13) 3_665 3_665 ?
C1MA C4FA C0OA 160.6(12) 3_665 3_665 ?
C5OA C4FA C5FA 58.5(11) 3_665 . ?
C1MA C4FA C5FA 26.9(5) 3_665 . ?
C0OA C4FA C5FA 137.9(9) 3_665 . ?
C5OA C4FA C0JA 160.7(17) 3_665 . ?
C1MA C4FA C0JA 95.7(8) 3_665 . ?
C0OA C4FA C0JA 91.2(10) 3_665 . ?
C5FA C4FA C0JA 120.6(7) . . ?
C5OA C4FA C9GA 65.7(11) 3_665 . ?
C1MA C4FA C9GA 147.2(9) 3_665 . ?
C0OA C4FA C9GA 16.6(7) 3_665 . ?
C5FA C4FA C9GA 122.0(7) . . ?
C0JA C4FA C9GA 106.6(9) . . ?
C6GA C0IA C0NA 57.0(11) 3_665 . ?
C4OA C0IA C0NA 144.4(10) 3_665 . ?
C9IA C0IA C0NA 29.1(5) 3_665 . ?
C6GA C0IA C3IA 59.7(11) 3_665 . ?
C4OA C0IA C3IA 28.5(6) 3_665 . ?
C9IA C0IA C3IA 145.1(9) 3_665 . ?
C0NA C0IA C3IA 116.2(8) . . ?
C6GA C0IA C5FA 161.4(16) 3_665 . ?
C4OA C0IA C5FA 92.2(7) 3_665 . ?
C9IA C0IA C5FA 91.8(7) 3_665 . ?
C0NA C0IA C5FA 118.4(7) . . ?
C3IA C0IA C5FA 118.5(7) . . ?
C9KA C1BA C0FA 54.2(13) 3_665 . ?
C4CA C1BA C0FA 29.9(7) 3_665 . ?
C6HA C1BA C0FA 140.2(8) 3_665 . ?
C9KA C1BA C1KA 70.0(13) 3_665 . ?
C4CA C1BA C1KA 149.7(10) 3_665 . ?
C6HA C1BA C1KA 18.8(6) 3_665 . ?
C0FA C1BA C1KA 121.6(7) . . ?
C9KA C1BA C3IA 164.7(19) 3_665 . ?
C4CA C1BA C3IA 92.5(9) 3_665 . ?
C6HA C1BA C3IA 91.3(8) 3_665 . ?
C0FA C1BA C3IA 120.7(10) . . ?
C1KA C1BA C3IA 108.3(7) . . ?
C3LA C6KA C9HA 162(3) 3_665 . ?
C2FA C6KA C9HA 50.2(7) 3_665 . ?
C0LA C6KA C9HA 88.2(7) 3_665 . ?
C3LA C6KA C5NA 68.2(18) 3_665 . ?
C2FA C6KA C5NA 160.4(13) 3_665 . ?
C0LA C6KA C5NA 33.3(5) 3_665 . ?
C9HA C6KA C5NA 119.9(7) . . ?
C3LA C6KA C6MA 44.5(18) 3_665 . ?
C2FA C6KA C6MA 72.3(7) 3_665 . ?
C0LA C6KA C6MA 139.9(9) 3_665 . ?
C9HA C6KA C6MA 120.2(7) . . ?
C5NA C6KA C6MA 108.7(7) . . ?
C0LA C5NA C5FA 60.8(10) 3_665 . ?
C1MA C5NA C5FA 25.8(6) 3_665 . ?
C3LA C5NA C5FA 137.3(8) 3_665 . ?
C0LA C5NA C6KA 63.4(10) 3_665 . ?
C1MA C5NA C6KA 146.0(9) 3_665 . ?
C3LA C5NA C6KA 16.7(6) 3_665 . ?
C5FA C5NA C6KA 121.5(7) . . ?
C0LA C5NA C7KA 159.5(14) 3_665 . ?
C1MA C5NA C7KA 95.2(7) 3_665 . ?
C3LA C5NA C7KA 91.9(7) 3_665 . ?
C5FA C5NA C7KA 118.6(7) . . ?
C6KA C5NA C7KA 107.5(6) . . ?
C9IA C0NA C0IA 63.0(13) 3_665 . ?
C6GA C0NA C0IA 33.0(6) 3_665 . ?
C8KA C0NA C0IA 142.5(8) 3_665 . ?
C9IA C0NA C9HA 61.9(12) 3_665 . ?
C6GA C0NA C9HA 152.7(10) 3_665 . ?
C8KA C0NA C9HA 21.1(5) 3_665 . ?
C0IA C0NA C9HA 121.9(7) . . ?
C9IA C0NA C5MA 164.4(17) 3_665 . ?
C6GA C0NA C5MA 89.9(8) 3_665 . ?
C8KA C0NA C5MA 88.4(7) 3_665 . ?
C0IA C0NA C5MA 121.0(9) . . ?
C9HA C0NA C5MA 107.8(6) . . ?
C8KA C9HA C6KA 166(3) 3_665 . ?
C2FA C9HA C6KA 55.7(7) 3_665 . ?
C9IA C9HA C6KA 93.6(7) 3_665 . ?
C8KA C9HA C6IA 48.8(17) 3_665 . ?
C2FA C9HA C6IA 66.7(7) 3_665 . ?
C9IA C9HA C6IA 135.7(8) 3_665 . ?
C6KA C9HA C6IA 119.8(7) . . ?
C8KA C9HA C0NA 65.7(15) 3_665 . ?
C2FA C9HA C0NA 160.6(13) 3_665 . ?
C9IA C9HA C0NA 27.8(5) 3_665 . ?
C6KA C9HA C0NA 119.2(7) . . ?
C6IA C9HA C0NA 108.9(6) . . ?
C1NA C7KA C5IA 62.4(15) 3_665 . ?
C4NA C7KA C5IA 33.5(7) 3_665 . ?
C2LA C7KA C5IA 146.0(10) 3_665 . ?
C1NA C7KA C9LA 64.5(14) 3_665 . ?
C4NA C7KA C9LA 155.5(13) 3_665 . ?
C2LA C7KA C9LA 22.7(6) 3_665 . ?
C5IA C7KA C9LA 124.6(10) . . ?
C1NA C7KA C5NA 164(2) 3_665 . ?
C4NA C7KA C5NA 87.5(8) 3_665 . ?
C2LA C7KA C5NA 85.7(7) 3_665 . ?
C5IA C7KA C5NA 119.2(7) . . ?
C9LA C7KA C5NA 107.5(6) . . ?
C4NA C5IA C7KA 57.2(11) 3_665 . ?
C3NA C5IA C7KA 148.4(10) 3_665 . ?
C1NA C5IA C7KA 28.1(6) 3_665 . ?
C4NA C5IA C0JA 62.8(12) 3_665 . ?
C3NA C5IA C0JA 29.5(7) 3_665 . ?
C1NA C5IA C0JA 147.4(9) 3_665 . ?
C7KA C5IA C0JA 119.5(7) . . ?
C4NA C5IA C7GA 164.2(16) 3_665 . ?
C3NA C5IA C7GA 89.1(8) 3_665 . ?
C1NA C5IA C7GA 91.3(9) 3_665 . ?
C7KA C5IA C7GA 118.0(9) . . ?
C0JA C5IA C7GA 117.7(7) . . ?
C3NA C0JA C4FA 158(2) 3_665 . ?
C4NA C0JA C4FA 89.3(8) 3_665 . ?
C9MA C0JA C4FA 87.1(10) 3_665 . ?
C3NA C0JA C5IA 55.0(14) 3_665 . ?
C4NA C0JA C5IA 32.2(6) 3_665 . ?
C9MA C0JA C5IA 140.8(10) 3_665 . ?
C4FA C0JA C5IA 119.5(8) . . ?
C3NA C0JA C8IA 67.3(13) 3_665 . ?
C4NA C0JA C8IA 150.1(10) 3_665 . ?
C9MA C0JA C8IA 22.1(6) 3_665 . ?
C4FA C0JA C8IA 108.5(9) . . ?
C5IA C0JA C8IA 120.7(7) . . ?
C3NA C0JA C0OA 130.5(17) 3_665 3_665 ?
C4NA C0JA C0OA 129.4(10) 3_665 3_665 ?
C9MA C0JA C0OA 44.6(8) 3_665 3_665 ?
C4FA C0JA C0OA 42.6(6) . 3_665 ?
C5IA C0JA C0OA 151.1(10) . 3_665 ?
C8IA C0JA C0OA 66.2(7) . 3_665 ?
C2MA C4LA C1KA 165(3) 3_665 . ?
C1HA C4LA C1KA 50.9(7) 3_665 . ?
C4KA C4LA C1KA 91.6(7) 3_665 . ?
C2MA C4LA C2NA 49.5(18) 3_665 . ?
C1HA C4LA C2NA 71.2(7) 3_665 . ?
C4KA C4LA C2NA 136.9(9) 3_665 . ?
C1KA C4LA C2NA 119.6(7) . . ?
C2MA C4LA C1LA 64(2) 3_665 . ?
C1HA C4LA C1LA 160.0(14) 3_665 . ?
C4KA C4LA C1LA 29.5(6) 3_665 . ?
C1KA C4LA C1LA 119.4(7) . . ?
C2NA C4LA C1LA 109.0(6) . . ?
C7HA C7GA C3FA 67.2(15) 3_665 . ?
C1EA C7GA C3FA 33.0(7) 3_665 . ?
C1LA C7GA C3FA 148.6(13) 3_665 . ?
C7HA C7GA C4KA 52.5(14) 3_665 . ?
C1EA C7GA C4KA 151.5(14) 3_665 . ?
C1LA C7GA C4KA 29.4(6) 3_665 . ?
C3FA C7GA C4KA 119.7(12) . . ?
C7HA C7GA C5IA 154(2) 3_665 . ?
C1EA C7GA C5IA 88.0(9) 3_665 . ?
C1LA C7GA C5IA 86.4(10) 3_665 . ?
C3FA C7GA C5IA 119.7(8) . . ?
C4KA C7GA C5IA 114.3(11) . . ?
C4CA C0FA C1BA 62.2(15) 3_665 . ?
C9KA C0FA C1BA 32.0(7) 3_665 . ?
C7JA C0FA C1BA 149.5(12) 3_665 . ?
C4CA C0FA C5MA 56.4(14) 3_665 . ?
C9KA C0FA C5MA 149.8(13) 3_665 . ?
C7JA C0FA C5MA 32.0(6) 3_665 . ?
C1BA C0FA C5MA 117.9(10) . . ?
C4CA C0FA C7HA 161(2) 3_665 . ?
C9KA C0FA C7HA 89.7(9) 3_665 . ?
C7JA C0FA C7HA 86.2(10) 3_665 . ?
C1BA C0FA C7HA 119.0(8) . . ?
C5MA C0FA C7HA 116.0(11) . . ?
C7JA C5MA C0FA 61.3(14) 3_665 . ?
C4CA C5MA C0FA 29.8(7) 3_665 . ?
C1JA C5MA C0FA 142.1(10) 3_665 . ?
C7JA C5MA C4MA 63.8(14) 3_665 . ?
C4CA C5MA C4MA 150.5(13) 3_665 . ?
C1JA C5MA C4MA 19.8(6) 3_665 . ?
C0FA C5MA C4MA 122.6(10) . . ?
C7JA C5MA C0NA 162.9(18) 3_665 . ?
C4CA C5MA C0NA 92.3(10) 3_665 . ?
C1JA C5MA C0NA 89.6(8) 3_665 . ?
C0FA C5MA C0NA 120.3(10) . . ?
C4MA C5MA C0NA 107.5(7) . . ?
C9LA C2NA C1IA 139.1(9) 3_665 . ?
C2MA C2NA C1IA 136.8(9) 3_665 . ?
C9LA C2NA C4LA 87.8(8) 3_665 . ?
C2MA C2NA C4LA 17.3(6) 3_665 . ?
C1IA C2NA C4LA 120.0(6) . . ?
C9LA C2NA C2LA 21.0(7) 3_665 . ?
C2MA C2NA C2LA 92.0(8) 3_665 . ?
C1IA C2NA C2LA 119.6(7) . . ?
C4LA C2NA C2LA 107.7(6) . . ?
C6MA C2NA C2LA 44.8(6) 3_665 . ?
C1EA C3FA C7GA 61.7(14) 3_665 . ?
C7HA C3FA C7GA 32.7(7) 3_665 . ?
C1EA C3FA C7JA 157.8(19) 3_665 . ?
C7HA C3FA C7JA 87.3(10) 3_665 . ?
C7GA C3FA C7JA 119.0(11) . . ?
C7LA C3FA C7JA 89.7(8) 3_665 . ?
C1EA C3FA C7IA 62.7(13) 3_665 . ?
C7HA C3FA C7IA 151.2(11) 3_665 . ?
C7GA C3FA C7IA 123.3(7) . . ?
C7LA C3FA C7IA 18.5(6) 3_665 . ?
C7JA C3FA C7IA 108.0(7) . . ?
C5KA C4IA C2FA 104.0(17) 3_665 . ?
C7MA C4IA C2FA 105.5(12) 3_665 . ?
C5KA C4IA C1IA 124.2(15) 3_665 . ?
C7MA C4IA C1IA 17.3(11) 3_665 . ?
C2FA C4IA C1IA 120.9(7) . . ?
C5KA C4IA C4JA 15.5(13) 3_665 . ?
C7MA C4IA C4JA 125.9(13) 3_665 . ?
C2FA C4IA C4JA 117.6(10) . . ?
C1IA C4IA C4JA 108.8(7) . . ?
C4KA C1LA C7HA 58.1(14) 3_665 . ?
C7GA C1LA C7HA 31.3(7) 3_665 . ?
C2MA C1LA C7HA 139.2(8) 3_665 . ?
C4KA C1LA C4LA 66.1(14) 3_665 . ?
C7GA C1LA C4LA 151.0(10) 3_665 . ?
C2MA C1LA C4LA 18.6(6) 3_665 . ?
C7HA C1LA C4LA 121.3(7) . . ?
C4KA C1LA C1NA 162.9(19) 3_665 . ?
C7GA C1LA C1NA 91.5(9) 3_665 . ?
C2MA C1LA C1NA 90.2(8) 3_665 . ?
C7HA C1LA C1NA 120.1(10) . . ?
C4LA C1LA C1NA 107.6(7) . . ?
C7GA C7HA C1LA 67.0(15) 3_665 . ?
C4KA C7HA C1LA 31.3(7) 3_665 . ?
C3FA C7HA C1LA 146.7(11) 3_665 . ?
C7GA C7HA C1EA 51.3(14) 3_665 . ?
C4KA C7HA C1EA 148.7(13) 3_665 . ?
C3FA C7HA C1EA 29.3(6) 3_665 . ?
C1LA C7HA C1EA 117.5(10) . . ?
C7GA C7HA C0FA 166(2) 3_665 . ?
C4KA C7HA C0FA 89.2(9) 3_665 . ?
C3FA C7HA C0FA 92.3(10) 3_665 . ?
C1LA C7HA C0FA 118.8(8) . . ?
C1EA C7HA C0FA 119.4(10) . . ?
C7MA C1IA C2NA 102.0(13) 3_665 . ?
C2JA C1IA C2NA 100.4(13) 3_665 . ?
C7MA C1IA C4IA 19.7(12) 3_665 . ?
C2JA C1IA C4IA 129.9(14) 3_665 . ?
C2NA C1IA C4IA 119.7(7) . . ?
C7MA C1IA C2IA 127.4(15) 3_665 . ?
C2JA C1IA C2IA 22.1(11) 3_665 . ?
C2NA C1IA C2IA 120.1(6) . . ?
C4IA C1IA C2IA 108.1(6) . . ?
C9LA C2LA C3LA 160(2) 3_665 . ?
C6MA C2LA C3LA 54.5(7) 3_665 . ?
C7KA C2LA C3LA 94.1(7) 3_665 . ?
C9LA C2LA C2NA 48.2(14) 3_665 . ?
C6MA C2LA C2NA 67.5(7) 3_665 . ?
C7KA C2LA C2NA 133.0(8) 3_665 . ?
C3LA C2LA C2NA 120.1(7) . . ?
C9LA C2LA C1NA 62.5(15) 3_665 . ?
C6MA C2LA C1NA 157.5(13) 3_665 . ?
C7KA C2LA C1NA 26.4(5) 3_665 . ?
C3LA C2LA C1NA 119.1(7) . . ?
C2NA C2LA C1NA 108.2(6) . . ?
C9HA C2FA C4IA 140.1(10) 3_665 . ?
C6KA C2FA C4IA 132.9(9) 3_665 . ?
C9HA C2FA C8KA 19.5(6) 3_665 . ?
C6KA C2FA C8KA 93.2(8) 3_665 . ?
C4IA C2FA C8KA 122.4(9) . . ?
C9HA C2FA C3LA 88.5(8) 3_665 . ?
C6KA C2FA C3LA 14.8(6) 3_665 . ?
C4IA C2FA C3LA 118.9(7) . . ?
C8KA C2FA C3LA 107.3(6) . . ?
C8KA C6IA C5KA 139.3(9) 3_665 . ?
C1JA C6IA C5KA 138.4(12) 3_665 . ?
C8KA C6IA C9HA 19.6(7) 3_665 . ?
C1JA C6IA C9HA 91.6(8) 3_665 . ?
C5KA C6IA C9HA 119.9(7) . . ?
C2FA C6IA C9HA 45.6(6) 3_665 . ?
C8KA C6IA C4MA 90.2(8) 3_665 . ?
C1JA C6IA C4MA 18.3(7) 3_665 . ?
C5KA C6IA C4MA 120.3(11) . . ?
C2FA C6IA C4MA 147.8(9) 3_665 . ?
C9HA C6IA C4MA 107.4(7) . . ?
C6KA C3LA C2LA 162(4) 3_665 . ?
C6MA C3LA C2LA 49.7(7) 3_665 . ?
C5NA C3LA C2LA 88.0(7) 3_665 . ?
C6KA C3LA C0LA 62.2(18) 3_665 . ?
C6MA C3LA C0LA 158.1(13) 3_665 . ?
C5NA C3LA C0LA 33.0(5) 3_665 . ?
C2LA C3LA C0LA 119.7(6) . . ?
C6KA C3LA C2FA 48.5(18) 3_665 . ?
C6MA C3LA C2FA 72.9(7) 3_665 . ?
C5NA C3LA C2FA 139.2(8) 3_665 . ?
C2LA C3LA C2FA 120.9(7) . . ?
C0LA C3LA C2FA 108.2(6) . . ?
C1JA C4MA C7LA 166(3) 3_665 . ?
C6LA C4MA C7LA 52.1(9) 3_665 . ?
C7JA C4MA C7LA 94.7(11) 3_665 . ?
C1JA C4MA C5MA 65.0(19) 3_665 . ?
C6LA C4MA C5MA 163.7(16) 3_665 . ?
C7JA C4MA C5MA 30.2(6) 3_665 . ?
C7LA C4MA C5MA 122.9(11) . . ?
C1JA C4MA C6IA 50(2) 3_665 . ?
C6LA C4MA C6IA 68.3(10) 3_665 . ?
C7JA C4MA C6IA 137.2(9) 3_665 . ?
C7LA C4MA C6IA 117.4(12) . . ?
C5MA C4MA C6IA 108.4(7) . . ?
C0IA C6GA C4OA 58.3(10) 3_665 . ?
C0NA C6GA C4OA 147.5(9) 3_665 . ?
C3IA C6GA C4OA 29.5(5) 3_665 . ?
C0IA C6GA C9IA 61.5(11) 3_665 . ?
C0NA C6GA C9IA 28.5(5) 3_665 . ?
C3IA C6GA C9IA 148.7(8) 3_665 . ?
C4OA C6GA C9IA 119.6(6) . . ?
C0IA C6GA C4CA 160.9(16) 3_665 . ?
C0NA C6GA C4CA 89.7(7) 3_665 . ?
C3IA C6GA C4CA 89.5(7) 3_665 . ?
C4OA C6GA C4CA 117.7(6) . . ?
C9IA C6GA C4CA 117.2(6) . . ?
C0NA C9IA C6GA 55.5(13) 3_665 . ?
C0IA C9IA C6GA 32.5(6) 3_665 . ?
C9HA C9IA C6GA 142.4(8) 3_665 . ?
C0NA C9IA C8KA 68.9(13) 3_665 . ?
C0IA C9IA C8KA 152.2(10) 3_665 . ?
C9HA C9IA C8KA 21.7(6) 3_665 . ?
C6GA C9IA C8KA 123.1(7) . . ?
C0NA C9IA C0LA 158.4(18) 3_665 . ?
C0IA C9IA C0LA 88.0(7) 3_665 . ?
C9HA C9IA C0LA 86.5(7) 3_665 . ?
C6GA C9IA C0LA 119.0(7) . . ?
C8KA C9IA C0LA 107.8(6) . . ?
C5MA C7JA C4CA 56.8(13) 3_665 . ?
C0FA C7JA C4CA 29.9(7) 3_665 . ?
C4MA C7JA C4CA 139.9(9) 3_665 . ?
C5MA C7JA C3FA 161.0(19) 3_665 . ?
C0FA C7JA C3FA 94.2(10) 3_665 . ?
C4MA C7JA C3FA 87.1(8) 3_665 . ?
C4CA C7JA C3FA 122.7(11) . . ?
C5MA C7JA C1JA 66.3(14) 3_665 . ?
C0FA C7JA C1JA 149.7(11) 3_665 . ?
C4MA C7JA C1JA 20.1(6) 3_665 . ?
C4CA C7JA C1JA 121.8(7) . . ?
C3FA C7JA C1JA 106.9(7) . . ?
C9HA C8KA C9IA 65.2(15) 3_665 . ?
C6IA C8KA C9IA 156.8(14) 3_665 . ?
C0NA C8KA C9IA 28.4(5) 3_665 . ?
C9HA C8KA C1JA 157(3) 3_665 . ?
C6IA C8KA C1JA 54.3(8) 3_665 . ?
C0NA C8KA C1JA 91.7(7) 3_665 . ?
C9IA C8KA C1JA 119.3(7) . . ?
C9HA C8KA C2FA 45.5(15) 3_665 . ?
C6IA C8KA C2FA 66.6(9) 3_665 . ?
C0NA C8KA C2FA 134.6(9) 3_665 . ?
C9IA C8KA C2FA 109.1(7) . . ?
C1JA C8KA C2FA 119.3(10) . . ?
C0FA C4CA C9KA 55.4(15) 3_665 . ?
C5MA C4CA C9KA 148.5(13) 3_665 . ?
C1BA C4CA C9KA 32.5(6) 3_665 . ?
C0FA C4CA C7JA 61.7(15) 3_665 . ?
C5MA C4CA C7JA 32.1(6) 3_665 . ?
C1BA C4CA C7JA 148.6(12) 3_665 . ?
C9KA C4CA C7JA 117.0(10) . . ?
C0FA C4CA C6GA 161(2) 3_665 . ?
C5MA C4CA C6GA 88.1(8) 3_665 . ?
C1BA C4CA C6GA 87.3(8) 3_665 . ?
C9KA C4CA C6GA 118.6(7) . . ?
C7JA C4CA C6GA 118.8(7) . . ?
C8HA C3OA C6HA 151(2) 3_665 . ?
C2KA C3OA C6HA 55.7(7) 3_665 . ?
C3IA C3OA C6HA 92.1(7) 3_665 . ?
C8HA C3OA C4OA 70.2(14) 3_665 . ?
C2KA C3OA C4OA 156.0(13) 3_665 . ?
C3IA C3OA C4OA 28.4(5) 3_665 . ?
C6HA C3OA C4OA 119.1(7) . . ?
C8HA C3OA C2OA 39.2(13) 3_665 . ?
C2KA C3OA C2OA 65.4(7) 3_665 . ?
C3IA C3OA C2OA 134.8(9) 3_665 . ?
C6HA C3OA C2OA 119.5(7) . . ?
C4OA C3OA C2OA 108.5(7) . . ?
C1KA C6HA C3OA 153(3) 3_665 . ?
C2KA C6HA C3OA 52.3(6) 3_665 . ?
C1BA C6HA C3OA 89.1(7) 3_665 . ?
C1KA C6HA C9KA 71.1(17) 3_665 . ?
C2KA C6HA C9KA 156.0(13) 3_665 . ?
C1BA C6HA C9KA 31.1(6) 3_665 . ?
C3OA C6HA C9KA 119.0(7) . . ?
C1KA C6HA C1HA 39.4(16) 3_665 . ?
C2KA C6HA C1HA 68.8(6) 3_665 . ?
C1BA C6HA C1HA 137.2(10) 3_665 . ?
C3OA C6HA C1HA 119.6(7) . . ?
C9KA C6HA C1HA 108.9(7) . . ?
C1LA C4KA C2MA 65.5(15) 3_665 . ?
C7HA C4KA C2MA 150.6(15) 3_665 . ?
C4LA C4KA C2MA 18.9(6) 3_665 . ?
C1LA C4KA C9KA 161(2) 3_665 . ?
C7HA C4KA C9KA 89.3(11) 3_665 . ?
C4LA C4KA C9KA 89.4(7) 3_665 . ?
C2MA C4KA C9KA 107.8(7) . . ?
C1LA C4KA C7GA 61.4(14) 3_665 . ?
C7HA C4KA C7GA 29.4(7) 3_665 . ?
C4LA C4KA C7GA 142.6(12) 3_665 . ?
C2MA C4KA C7GA 125.2(12) . . ?
C9KA C4KA C7GA 117.9(11) . . ?
C1BA C9KA C4CA 63.5(13) 3_665 . ?
C0FA C9KA C4CA 30.4(7) 3_665 . ?
C1KA C9KA C4CA 139.5(9) 3_665 . ?
C1BA C9KA C6HA 60.4(13) 3_665 . ?
C0FA C9KA C6HA 150.6(12) 3_665 . ?
C1KA C9KA C6HA 19.0(5) 3_665 . ?
C4CA C9KA C6HA 122.6(7) . . ?
C1BA C9KA C4KA 157.8(18) 3_665 . ?
C0FA C9KA C4KA 91.8(11) 3_665 . ?
C1KA C9KA C4KA 88.5(7) 3_665 . ?
C4CA C9KA C4KA 120.7(11) . . ?
C6HA C9KA C4KA 107.2(7) . . ?
C4MA C1JA C8KA 155(4) 3_665 . ?
C6IA C1JA C8KA 52.4(8) 3_665 . ?
C5MA C1JA C8KA 90.3(7) 3_665 . ?
C4MA C1JA C7JA 65(2) 3_665 . ?
C6IA C1JA C7JA 155.7(14) 3_665 . ?
C5MA C1JA C7JA 30.4(6) 3_665 . ?
C8KA C1JA C7JA 119.6(7) . . ?
C4MA C1JA C6LA 45(2) 3_665 . ?
C6IA C1JA C6LA 67.8(9) 3_665 . ?
C5MA C1JA C6LA 137.5(9) 3_665 . ?
C8KA C1JA C6LA 119.1(11) . . ?
C7JA C1JA C6LA 109.6(7) . . ?
C5NA C0LA C1MA 58.3(10) 3_665 . ?
C5FA C0LA C1MA 27.3(5) 3_665 . ?
C6KA C0LA C1MA 138.5(8) 3_665 . ?
C5NA C0LA C3LA 66.9(10) 3_665 . ?
C5FA C0LA C3LA 147.4(9) 3_665 . ?
C6KA C0LA C3LA 16.4(6) 3_665 . ?
C1MA C0LA C3LA 123.0(7) . . ?
C5NA C0LA C9IA 162.5(15) 3_665 . ?
C5FA C0LA C9IA 93.6(7) 3_665 . ?
C6KA C0LA C9IA 91.7(7) 3_665 . ?
C1MA C0LA C9IA 119.9(7) . . ?
C3LA C0LA C9IA 107.5(6) . . ?
C5FA C1MA C0LA 65.0(13) 3_665 . ?
C5NA C1MA C0LA 35.2(6) 3_665 . ?
C4FA C1MA C0LA 152.2(8) 3_665 . ?
C5FA C1MA C5OA 55.4(13) 3_665 . ?
C5NA C1MA C5OA 154.6(9) 3_665 . ?
C4FA C1MA C5OA 32.5(6) 3_665 . ?
C0LA C1MA C5OA 120.3(7) . . ?
C5FA C1MA C4NA 158(2) 3_665 . ?
C5NA C1MA C4NA 84.6(7) 3_665 . ?
C4FA C1MA C4NA 84.8(8) 3_665 . ?
C0LA C1MA C4NA 117.9(7) . . ?
C5OA C1MA C4NA 115.5(9) . . ?
C8IA C9MA C0OA 163(2) 3_665 . ?
C5CA C9MA C0OA 58.2(9) 3_665 . ?
C0JA C9MA C0OA 94.3(11) 3_665 . ?
C8IA C9MA C6NA 44.4(14) 3_665 . ?
C5CA C9MA C6NA 64.4(10) 3_665 . ?
C0JA C9MA C6NA 135.1(10) 3_665 . ?
C0OA C9MA C6NA 120.0(11) . . ?
C8IA C9MA C3NA 67.5(17) 3_665 . ?
C5CA C9MA C3NA 160.7(13) 3_665 . ?
C0JA C9MA C3NA 28.9(7) 3_665 . ?
C0OA C9MA C3NA 121.2(11) . . ?
C6NA C9MA C3NA 107.2(7) . . ?
C4FA C5OA C1MA 62.1(12) 3_665 . ?
C5FA C5OA C1MA 25.9(6) 3_665 . ?
C9GA C5OA C1MA 141.2(10) 3_665 . ?
C4FA C5OA C0OA 65.6(12) 3_665 . ?
C5FA C5OA C0OA 149.5(12) 3_665 . ?
C9GA C5OA C0OA 16.6(6) 3_665 . ?
C1MA C5OA C0OA 125.8(10) . . ?
C4FA C5OA C4OA 163.6(17) 3_665 . ?
C5FA C5OA C4OA 93.5(7) 3_665 . ?
C9GA C5OA C4OA 91.3(7) 3_665 . ?
C1MA C5OA C4OA 118.5(7) . . ?
C0OA C5OA C4OA 107.6(7) . . ?
C8HA C2OA C8GA 136.1(10) 3_665 . ?
C9GA C2OA C8GA 132.4(13) 3_665 . ?
C8HA C2OA C3OA 17.6(6) 3_665 . ?
C9GA C2OA C3OA 93.6(8) 3_665 . ?
C8GA C2OA C3OA 120.8(7) . . ?
C2KA C2OA C3OA 48.7(6) 3_665 . ?
C8HA C2OA C0OA 90.0(8) 3_665 . ?
C9GA C2OA C0OA 14.2(8) 3_665 . ?
C8GA C2OA C0OA 119.3(11) . . ?
C2KA C2OA C0OA 148.2(10) 3_665 . ?
C3OA C2OA C0OA 107.2(7) . . ?
C8IA C6NA C7BA 140.8(13) 3_665 . ?
C7IA C6NA C7BA 136.9(12) 3_665 . ?
C8IA C6NA C7LA 90.6(8) 3_665 . ?
C7IA C6NA C7LA 17.7(6) 3_665 . ?
C7BA C6NA C7LA 119.3(11) . . ?
C5CA C6NA C7LA 150.9(9) 3_665 . ?
C8IA C6NA C9MA 20.0(7) 3_665 . ?
C7IA C6NA C9MA 93.5(8) 3_665 . ?
C7BA C6NA C9MA 121.1(11) . . ?
C5CA C6NA C9MA 46.9(7) 3_665 . ?
C7LA C6NA C9MA 108.6(7) . . ?
C3FA C1EA C7LA 69.4(15) 3_665 . ?
C7GA C1EA C7LA 150.1(12) 3_665 . ?
C7IA C1EA C7LA 18.7(6) 3_665 . ?
C3FA C1EA C3NA 165.1(19) 3_665 . ?
C7GA C1EA C3NA 92.3(11) 3_665 . ?
C7IA C1EA C3NA 91.4(7) 3_665 . ?
C7LA C1EA C3NA 108.0(7) . . ?
C3FA C1EA C7HA 56.8(14) 3_665 . ?
C7GA C1EA C7HA 28.9(7) 3_665 . ?
C7IA C1EA C7HA 140.8(10) 3_665 . ?
C7LA C1EA C7HA 122.3(10) . . ?
C3NA C1EA C7HA 118.4(10) . . ?
C5IA C4NA C1NA 61.6(12) 3_665 . ?
C7KA C4NA C1NA 27.8(6) 3_665 . ?
C0JA C4NA C1NA 146.0(10) 3_665 . ?
C5IA C4NA C3NA 55.4(12) 3_665 . ?
C7KA C4NA C3NA 143.9(12) 3_665 . ?
C0JA C4NA C3NA 29.6(6) 3_665 . ?
C1NA C4NA C3NA 116.6(9) . . ?
C5IA C4NA C1MA 159.6(16) 3_665 . ?
C7KA C4NA C1MA 92.6(8) 3_665 . ?
C0JA C4NA C1MA 90.2(9) 3_665 . ?
C1NA C4NA C1MA 118.8(7) . . ?
C3NA C4NA C1MA 117.6(9) . . ?
C0JA C3NA C4NA 63.1(14) 3_665 . ?
C5IA C3NA C4NA 32.4(7) 3_665 . ?
C8IA C3NA C4NA 143.5(11) 3_665 . ?
C0JA C3NA C1EA 164.7(19) 3_665 . ?
C5IA C3NA C1EA 90.6(10) 3_665 . ?
C8IA C3NA C1EA 86.8(7) 3_665 . ?
C4NA C3NA C1EA 121.5(10) . . ?
C0JA C3NA C9MA 61.8(15) 3_665 . ?
C5IA C3NA C9MA 151.9(12) 3_665 . ?
C8IA C3NA C9MA 22.1(6) 3_665 . ?
C4NA C3NA C9MA 122.1(10) . . ?
C1EA C3NA C9MA 107.8(7) . . ?
C7IA C7LA C4MA 172(3) 3_665 . ?
C6LA C7LA C4MA 54.2(9) 3_665 . ?
C3FA C7LA C4MA 88.5(10) 3_665 . ?
C7IA C7LA C6NA 52(2) 3_665 . ?
C6LA C7LA C6NA 72.9(10) 3_665 . ?
C3FA C7LA C6NA 136.9(9) 3_665 . ?
C4MA C7LA C6NA 123.3(11) . . ?
C7IA C7LA C1EA 64(2) 3_665 . ?
C6LA C7LA C1EA 163.1(13) 3_665 . ?
C3FA C7LA C1EA 29.8(6) 3_665 . ?
C4MA C7LA C1EA 116.6(11) . . ?
C6NA C7LA C1EA 108.4(7) . . ?
C3IA C4OA C6GA 62.6(13) 3_665 . ?
C0IA C4OA C6GA 33.5(6) 3_665 . ?
C8HA C4OA C6GA 141.4(8) 3_665 . ?
C3IA C4OA C3OA 61.6(12) 3_665 . ?
C0IA C4OA C3OA 153.6(10) 3_665 . ?
C8HA C4OA C3OA 21.4(5) 3_665 . ?
C6GA C4OA C3OA 122.7(7) . . ?
C3IA C4OA C5OA 159.8(18) 3_665 . ?
C0IA C4OA C5OA 88.3(7) 3_665 . ?
C8HA C4OA C5OA 86.9(6) 3_665 . ?
C6GA C4OA C5OA 120.1(7) . . ?
C3OA C4OA C5OA 108.0(6) . . ?
C7KA C1NA C4NA 56.4(14) 3_665 . ?
C5IA C1NA C4NA 33.2(6) 3_665 . ?
C9LA C1NA C4NA 142.3(9) 3_665 . ?
C7KA C1NA C1LA 163(2) 3_665 . ?
C5IA C1NA C1LA 90.8(8) 3_665 . ?
C9LA C1NA C1LA 86.0(7) 3_665 . ?
C4NA C1NA C1LA 122.6(9) . . ?
C7KA C1NA C2LA 66.5(14) 3_665 . ?
C5IA C1NA C2LA 151.7(10) 3_665 . ?
C9LA C1NA C2LA 22.3(6) 3_665 . ?
C4NA C1NA C2LA 121.2(7) . . ?
C1LA C1NA C2LA 107.5(6) . . ?
C3KA C7BA C6NA 103.0(17) 3_665 . ?
C4JA C7BA C6NA 102.2(17) 3_665 . ?
C3KA C7BA C8GA 20.6(13) 3_665 . ?
C4JA C7BA C8GA 131.4(15) 3_665 . ?
C6NA C7BA C8GA 118.6(12) . . ?
C3KA C7BA C5KA 129.2(16) 3_665 . ?
C4JA C7BA C5KA 22.8(12) 3_665 . ?
C6NA C7BA C5KA 119.8(12) . . ?
C8GA C7BA C5KA 108.7(7) . . ?
C2IA C8GA C2OA 108.1(14) 3_665 . ?
C3KA C8GA C2OA 106.7(14) 3_665 . ?
C2IA C8GA C7BA 123.5(15) 3_665 . ?
C3KA C8GA C7BA 17.9(11) 3_665 . ?
C2OA C8GA C7BA 120.4(11) . . ?
C2IA C8GA C2JA 16.4(13) 3_665 . ?
C3KA C8GA C2JA 125.2(13) 3_665 . ?
C2OA C8GA C2JA 119.5(7) . . ?
C7BA C8GA C2JA 107.4(7) . . ?
C1IA C2JA C1HA 110.4(13) 3_665 . ?
C2IA C2JA C1HA 109.4(12) 3_665 . ?
C1IA C2JA C7MA 14.9(12) 3_665 . ?
C2IA C2JA C7MA 122.2(13) 3_665 . ?
C1HA C2JA C7MA 120.6(7) . . ?
C1IA C2JA C8GA 122.4(13) 3_665 . ?
C2IA C2JA C8GA 14.6(12) 3_665 . ?
C1HA C2JA C8GA 119.7(7) . . ?
C7MA C2JA C8GA 107.9(7) . . ?
C4LA C2MA C9LA 158(3) 3_665 . ?
C2NA C2MA C9LA 53.0(7) 3_665 . ?
C1LA C2MA C9LA 89.3(10) 3_665 . ?
C4LA C2MA C4KA 67.8(18) 3_665 . ?
C2NA C2MA C4KA 157.8(16) 3_665 . ?
C1LA C2MA C4KA 29.8(6) 3_665 . ?
C9LA C2MA C4KA 117.7(12) . . ?
C4LA C2MA C1HA 43.2(17) 3_665 . ?
C2NA C2MA C1HA 70.1(7) 3_665 . ?
C1LA C2MA C1HA 136.4(9) 3_665 . ?
C9LA C2MA C1HA 120.9(7) . . ?
C4KA C2MA C1HA 108.7(7) . . ?
C2LA C6MA C7MA 139.4(9) 3_665 . ?
C3LA C6MA C7MA 134.2(9) 3_665 . ?
C2LA C6MA C9LA 20.5(7) 3_665 . ?
C3LA C6MA C9LA 95.1(8) 3_665 . ?
C7MA C6MA C9LA 119.6(7) . . ?
C2LA C6MA C6KA 89.3(8) 3_665 . ?
C3LA C6MA C6KA 14.2(7) 3_665 . ?
C7MA C6MA C6KA 120.3(7) . . ?
C9LA C6MA C6KA 107.9(7) . . ?
C1IA C7MA C6MA 108.1(14) 3_665 . ?
C4IA C7MA C6MA 106.0(13) 3_665 . ?
C1IA C7MA C2JA 16.3(12) 3_665 . ?
C4IA C7MA C2JA 127.4(13) 3_665 . ?
C6MA C7MA C2JA 119.4(7) . . ?
C1IA C7MA C5KA 124.9(14) 3_665 . ?
C4IA C7MA C5KA 18.6(11) 3_665 . ?
C6MA C7MA C5KA 119.8(7) . . ?
C2JA C7MA C5KA 109.0(7) . . ?
C4IA C5KA C6IA 105.2(15) 3_665 . ?
C4JA C5KA C6IA 101.9(17) 3_665 . ?
C4IA C5KA C7MA 20.4(13) 3_665 . ?
C4JA C5KA C7MA 130.0(15) 3_665 . ?
C6IA C5KA C7MA 120.1(7) . . ?
C4IA C5KA C7BA 127.2(15) 3_665 . ?
C4JA C5KA C7BA 23.1(13) 3_665 . ?
C6IA C5KA C7BA 119.9(11) . . ?
C7MA C5KA C7BA 107.0(7) . . ?
C2LA C9LA C2MA 162(2) 3_665 . ?
C2NA C9LA C2MA 55.6(7) 3_665 . ?
C1NA C9LA C2MA 94.5(10) 3_665 . ?
C2LA C9LA C6MA 44.0(13) 3_665 . ?
C2NA C9LA C6MA 67.0(7) 3_665 . ?
C1NA C9LA C6MA 133.7(9) 3_665 . ?
C2MA C9LA C6MA 120.5(7) . . ?
C2LA C9LA C7KA 68.4(14) 3_665 . ?
C2NA C9LA C7KA 160.2(14) 3_665 . ?
C1NA C9LA C7KA 26.8(6) 3_665 . ?
C2MA C9LA C7KA 120.1(11) . . ?
C6MA C9LA C7KA 108.4(7) . . ?
C1KA C1HA C2JA 134.7(10) 3_665 . ?
C4LA C1HA C2JA 134.1(10) 3_665 . ?
C1KA C1HA C2MA 92.6(8) 3_665 . ?
C4LA C1HA C2MA 16.2(7) 3_665 . ?
C2JA C1HA C2MA 119.0(7) . . ?
C1KA C1HA C6HA 15.3(6) 3_665 . ?
C4LA C1HA C6HA 91.9(8) 3_665 . ?
C2JA C1HA C6HA 120.9(7) . . ?
C2MA C1HA C6HA 107.3(7) . . ?
C5AA C5HA C3CA 121.3(9) . . ?
C5AA C5HA C5JA 108.9(15) . . ?
C3CA C5HA C5JA 118.9(9) . . ?
C3CA C3AA C0MA 118.8(8) . . ?
C3CA C3AA C9AA 121.9(9) . . ?
C0MA C3AA C9AA 107.7(7) . . ?
C5LA C4AA C6JA 118.8(19) . . ?
C5LA C4AA C9AA 108.5(7) . . ?
C6JA C4AA C9AA 121.0(8) . . ?
C9GA C0OA C9MA 158(4) 3_665 . ?
C5CA C0OA C9MA 51.3(9) 3_665 . ?
C4FA C0OA C9MA 87.4(10) 3_665 . ?
C9GA C0OA C5OA 66(2) 3_665 . ?
C5CA C0OA C5OA 157.3(17) 3_665 . ?
C4FA C0OA C5OA 32.1(6) 3_665 . ?
C9MA C0OA C5OA 117.6(12) . . ?
C9GA C0OA C2OA 45(2) 3_665 . ?
C5CA C0OA C2OA 71.7(9) 3_665 . ?
C4FA C0OA C2OA 138.8(10) 3_665 . ?
C9MA C0OA C2OA 120.6(13) . . ?
C5OA C0OA C2OA 108.7(7) . . ?
C2 C1 C4 114.0(15) . . ?
C2 C1 C3 121.4(8) . . ?
C4 C1 C3 115.2(16) . . ?
C8NA C6OA C2 119.2(8) . . ?
C8NA C6OA C9NA 118.9(8) . . ?
C2 C6OA C9NA 111.0(15) . . ?
C1 C2 C6OA 119.3(8) . . ?
C1 C2 C2UA 119.4(18) . . ?
C6OA C2 C2UA 106.6(18) . . ?
C3PA C7OA C5PA 119.3(9) . . ?
C3PA C7OA C4PA 119.8(18) . . ?
C5PA C7OA C4PA 107.6(16) . . ?
C0PA C9NA C3UA 117.9(10) . . ?
C0PA C9NA C6OA 120.6(9) . . ?
C3UA C9NA C6OA 102.6(15) . . ?
C3QA C4PA C7OA 120.6(18) . . ?
C3QA C4PA C0PA 119.3(9) . . ?
C7OA C4PA C0PA 104.9(17) . . ?
C9NA C0PA C2PA 121.1(9) . . ?
C9NA C0PA C4PA 119.9(9) . . ?
C2PA C0PA C4PA 110.2(17) . . ?
C3 C7QA C8NA 121.0(7) . . ?
C3 C7QA C2QA 123.0(8) . . ?
C8NA C7QA C2QA 109.5(7) . . ?
C0PA C2PA C5TA 120.1(9) . . ?
C0PA C2PA C5PA 109.2(18) . . ?
C5TA C2PA C5PA 120.3(9) . . ?
C6PA C5PA C2PA 119.4(9) . . ?
C6PA C5PA C7OA 119.9(9) . . ?
C2PA C5PA C7OA 108.1(17) . . ?
C4PA C3QA C8NA 121.0(9) . . ?
C4PA C3QA C9QA 121.9(15) . . ?
C8NA C3QA C9QA 107.8(7) . . ?
C6OA C8NA C7QA 119.4(8) . . ?
C6OA C8NA C3QA 119.9(8) . . ?
C7QA C8NA C3QA 107.1(7) . . ?
C3SA C3PA C7OA 121.2(17) . . ?
C3SA C3PA C9OA 108.8(8) . . ?
C7OA C3PA C9OA 120.9(9) . . ?
C5PA C6PA C0SA 120.2(8) . . ?
C5PA C6PA C8OA 120.8(8) . . ?
C0SA C6PA C8OA 107.7(7) . . ?
C3PA C9OA C1RA 107.1(8) . . ?
C3PA C9OA C8OA 119.8(8) . . ?
C1RA C9OA C8OA 118.9(8) . . ?
C6PA C8OA C8PA 108.0(7) . . ?
C6PA C8OA C9OA 119.2(7) . . ?
C8PA C8OA C9OA 120.2(8) . . ?
C3PA C3SA C2SA 107.1(7) . . ?
C3PA C3SA C9QA 120.7(16) . . ?
C2SA C3SA C9QA 119.4(7) . . ?
C2QA C9QA C3QA 108.2(7) . . ?
C2QA C9QA C3SA 118.6(7) . . ?
C3QA C9QA C3SA 115.5(16) . . ?
C1UA C3UA C9NA 119.8(9) . . ?
C1UA C3UA C2UA 120.0(9) . . ?
C9NA C3UA C2UA 116.0(15) . . ?
C2PA C5TA C1UA 118.7(9) . . ?
C2PA C5TA C7EA 120.9(9) . . ?
C1UA C5TA C7EA 108.2(8) . . ?
C3UA C1UA C5TA 121.1(9) . . ?
C3UA C1UA C4UA 121.3(9) . . ?
C5TA C1UA C4UA 108.3(7) . . ?
C8PA C0QA C6RA 117.3(7) . . ?
C8PA C0QA C8QA 118.6(8) . . ?
C6RA C0QA C8QA 119.8(7) . . ?
C1RA C8QA C1OA 114.9(7) . . ?
C1RA C8QA C0QA 116.1(7) . . ?
C1OA C8QA C0QA 114.8(7) . . ?
C2SA C1RA C8QA 123.3(7) . . ?
C2SA C1RA C9OA 107.4(6) . . ?
C8QA C1RA C9OA 123.6(7) . . ?
C0QA C8PA C9RA 121.5(9) . . ?
C0QA C8PA C8OA 121.4(8) . . ?
C9RA C8PA C8OA 108.3(7) . . ?
C9QA C2QA C7QA 107.2(7) . . ?
C9QA C2QA C7SA 121.7(8) . . ?
C7QA C2QA C7SA 118.1(8) . . ?
C1 C3 C7QA 119.3(8) . . ?
C1 C3 C5QA 114.4(12) . . ?
C7QA C3 C5QA 117.3(7) . . ?
C7TA C5QA C4RA 107.5(8) . . ?
C7TA C5QA C3 127.6(13) . . ?
C4RA C5QA C3 118.9(8) . . ?
C7SA C4RA C7RA 121.2(6) . . ?
C7SA C4RA C5QA 121.5(9) . . ?
C7RA C4RA C5QA 107.2(7) . . ?
C1RA C2SA C3SA 109.3(7) . . ?
C1RA C2SA C6SA 121.3(7) . . ?
C3SA C2SA C6SA 123.8(7) . . ?
C4RA C7SA C2QA 118.6(7) . . ?
C4RA C7SA C6SA 119.2(7) . . ?
C2QA C7SA C6SA 118.5(6) . . ?
C2SA C6SA C5SA 114.0(7) . . ?
C2SA C6SA C7SA 116.3(7) . . ?
C5SA C6SA C7SA 113.7(6) . . ?
C8PA C9RA C0SA 107.5(8) . . ?
C8PA C9RA C9PA 118.8(9) . . ?
C0SA C9RA C9PA 120.1(9) . . ?
C7EA C0SA C6PA 119.7(8) . . ?
C7EA C0SA C9RA 120.6(8) . . ?
C6PA C0SA C9RA 108.4(8) . . ?
C5TA C7EA C0SA 119.4(8) . . ?
C5TA C7EA C1SA 107.5(7) . . ?
C0SA C7EA C1SA 120.7(8) . . ?
C2RA C9PA C9RA 118.2(7) . . ?
C2RA C9PA C4SA 119.1(8) . . ?
C9RA C9PA C4SA 118.1(8) . . ?
C9PA C2RA C2TA 120.7(7) . . ?
C9PA C2RA C6RA 120.4(8) . . ?
C2TA C2RA C6RA 110.5(12) . . ?
C2RA C6RA C0QA 117.8(9) . . ?
C2RA C6RA C7NA 99.8(18) . . ?
C0QA C6RA C7NA 120.4(9) . . ?
C5SA C1OA C5RA 112.5(13) . . ?
C5SA C1OA C8QA 122.1(9) . . ?
C5RA C1OA C8QA 121.9(9) . . ?
C1OA C5SA C0RA 109.0(13) . . ?
C1OA C5SA C6SA 124.4(9) . . ?
C0RA C5SA C6SA 122.2(8) . . ?
C1SA C4SA C4QA 117.4(7) . . ?
C1SA C4SA C9PA 119.9(8) . . ?
C4QA C4SA C9PA 119.6(7) . . ?
C4UA C1SA C4SA 118.7(10) . . ?
C4UA C1SA C7EA 107.7(7) . . ?
C4SA C1SA C7EA 120.5(9) . . ?
C7NA C3TA C2TA 106.6(16) . . ?
C7NA C3TA C1PA 121.4(9) . . ?
C2TA C3TA C1PA 120.6(8) . . ?
C6QA C4QA C4SA 120.0(10) . . ?
C6QA C4QA C0TA 108.3(7) . . ?
C4SA C4QA C0TA 119.8(8) . . ?
C2TA C0TA C3RA 119.4(8) . . ?
C2TA C0TA C4QA 120.8(8) . . ?
C3RA C0TA C4QA 107.8(7) . . ?
C3TA C2TA C0TA 120.0(8) . . ?
C3TA C2TA C2RA 108.4(13) . . ?
C0TA C2TA C2RA 120.0(7) . . ?
C5SA C0RA C8RA 105.9(16) . . ?
C5SA C0RA C7RA 121.3(8) . . ?
C8RA C0RA C7RA 120.9(7) . . ?
C8RA C5RA C1OA 102(2) . . ?
C8RA C5RA C7NA 120.1(9) . . ?
C1OA C5RA C7NA 120.0(10) . . ?
C3TA C7NA C5RA 118.0(9) . . ?
C3TA C7NA C6RA 114.1(17) . . ?
C5RA C7NA C6RA 119.4(8) . . ?
C5UA C7RA C4RA 108.7(7) . . ?
C5UA C7RA C0RA 120.2(7) . . ?
C4RA C7RA C0RA 120.1(7) . . ?
C7RA C5UA C7TA 107.7(7) . . ?
C7RA C5UA C9TA 119.5(7) . . ?
C7TA C5UA C9TA 115.4(19) . . ?
C6TA C9TA C9SA 108.3(7) . . ?
C6TA C9TA C5UA 115.2(16) . . ?
C9SA C9TA C5UA 120.7(7) . . ?
C1PA C9SA C9TA 108.1(7) . . ?
C1PA C9SA C8RA 118.5(9) . . ?
C9TA C9SA C8RA 119.3(7) . . ?
C5RA C8RA C0RA 110.7(18) . . ?
C5RA C8RA C9SA 121.0(9) . . ?
C0RA C8RA C9SA 119.4(7) . . ?
C3RA C8SA C1PA 120.2(8) . . ?
C3RA C8SA C6TA 120.7(8) . . ?
C1PA C8SA C6TA 107.7(8) . . ?
C4QA C6QA C8TA 108.2(8) . . ?
C4QA C6QA C0UA 118.8(9) . . ?
C8TA C6QA C0UA 119.9(9) . . ?
C4UA C0UA C6QA 118.2(7) . . ?
C4UA C0UA C1TA 118.9(8) . . ?
C6QA C0UA C1TA 119.1(8) . . ?
C3TA C1PA C9SA 120.4(8) . . ?
C3TA C1PA C8SA 119.3(8) . . ?
C9SA C1PA C8SA 107.9(7) . . ?
C9TA C6TA C4TA 120.2(16) . . ?
C9TA C6TA C8SA 107.9(7) . . ?
C4TA C6TA C8SA 120.7(8) . . ?
C8SA C3RA C0TA 120.4(8) . . ?
C8SA C3RA C8TA 120.1(8) . . ?
C0TA C3RA C8TA 108.2(7) . . ?
C0UA C4UA C1SA 121.7(9) . . ?
C0UA C4UA C1UA 119.9(8) . . ?
C1SA C4UA C1UA 108.2(7) . . ?
C1 C4 C5 122(2) . . ?
C1 C4 C1QA 123.8(16) . . ?
C5 C4 C1QA 107.2(7) . . ?
C5 C7TA C5UA 137(2) . . ?
C5 C7TA C5QA 112(2) . . ?
C5UA C7TA C5QA 108.0(8) . . ?
C2UA C1TA C1QA 113.3(14) . . ?
C2UA C1TA C0UA 119.9(9) . . ?
C1QA C1TA C0UA 120.6(8) . . ?
C1TA C2UA C3UA 119.6(9) . . ?
C1TA C2UA C2 125.3(18) . . ?
C3UA C2UA C2 103.1(17) . . ?
C1TA C1QA C7PA 118.8(8) . . ?
C1TA C1QA C4 120.5(16) . . ?
C7PA C1QA C4 107.7(7) . . ?
C6TA C4TA C7PA 118.1(8) . . ?
C6TA C4TA C5 124(2) . . ?
C7PA C4TA C5 107.3(7) . . ?
C8TA C7PA C4TA 119.8(7) . . ?
C8TA C7PA C1QA 120.1(7) . . ?
C4TA C7PA C1QA 109.3(7) . . ?
C7PA C8TA C3RA 120.5(8) . . ?
C7PA C8TA C6QA 121.3(8) . . ?
C3RA C8TA C6QA 107.5(7) . . ?
C7TA C5 C4TA 107(3) . . ?
C7TA C5 C4 127(3) . . ?
C4TA C5 C4 108.6(8) . . ?

_refine_diff_density_max         0.994
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.118


