# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2031749'
loop_
_audit_author_name
_audit_author_address
'shan jin'
;An Hui University
China
;
_audit_update_record             
;
2020-09-14 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_audit_creation_date             2020-09-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C222 H263 Ag21 Au0.99 Fe3 P6 S12, 2(C24 H20 B), C H2 Cl2, 2(C7 H8)'
_chemical_formula_sum            'C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12'
_chemical_formula_weight         7074.29
_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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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                   21.3948(19)
_cell_length_b                   27.211(3)
_cell_length_c                   29.938(4)
_cell_angle_alpha                80.347(10)
_cell_angle_beta                 70.094(9)
_cell_angle_gamma                67.283(8)
_cell_volume                     15103(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    25664
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      60.05
_cell_measurement_theta_min      1.41
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    14.231
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       stick
_exptl_crystal_F_000             7041
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_av_unetI/netI     0.0728
_diffrn_reflns_Laue_measured_fraction_full 0.957
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            80621
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        60.000
_diffrn_reflns_theta_max         60.000
_diffrn_reflns_theta_min         3.525
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  Stoe
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                32179
_reflns_number_total             42924
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         6.887
_refine_diff_density_min         -4.304
_refine_diff_density_rms         0.409
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.328
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2793
_refine_ls_number_reflns         42924
_refine_ls_number_restraints     5645
_refine_ls_R_factor_all          0.1413
_refine_ls_R_factor_gt           0.1160
_refine_ls_restrained_S_all      1.272
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3142
_refine_ls_wR_factor_ref         0.3333
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C236-C270
 1.48 with sigma of 0.01
 C236-C159 = C211-C159 = C243-C211 = C242-C222 = C267-C242 = C266-C243 = C242-
 C228 = C243-C228 = C222-C159 = C270-C236 = C270-C266 = C270-C267
 1.48 with sigma of 0.01
 C285-C259 = C259-C258 = C285-C261 = C261-C244
 1.48 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49
\\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57
\\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65
\\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73
\\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C78 \\sim C79 \\sim C80 \\sim C81
\\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89
\\sim C90 \\sim C91 \\sim C92 \\sim C93 \\sim C94 \\sim C95 \\sim C96 \\sim C97
\\sim C98 \\sim C99 \\sim C100 \\sim C101 \\sim C102 \\sim C103 \\sim C104
\\sim C105 \\sim C106 \\sim C107 \\sim C108 \\sim C109 \\sim C110 \\sim C111
\\sim C112 \\sim C113 \\sim C114 \\sim C115 \\sim C116 \\sim C117 \\sim C118
\\sim C119 \\sim C120 \\sim C121 \\sim C122 \\sim C123 \\sim C124 \\sim C125
\\sim C126 \\sim C127 \\sim C128 \\sim C129 \\sim C130 \\sim C131 \\sim C132
\\sim C133 \\sim C134 \\sim C135 \\sim C136 \\sim C137 \\sim C138 \\sim C139
\\sim C140 \\sim C141 \\sim C142 \\sim C143 \\sim C144 \\sim C145 \\sim C146
\\sim C147 \\sim C148 \\sim C149 \\sim C150 \\sim C151 \\sim C152 \\sim C153
\\sim C154 \\sim C155 \\sim C156 \\sim C157 \\sim C158 \\sim C159 \\sim C160
\\sim C161 \\sim C162 \\sim C163 \\sim C164 \\sim C165 \\sim C166 \\sim C167
\\sim C168 \\sim C169 \\sim C170 \\sim C171 \\sim C172 \\sim C173 \\sim C174
\\sim C175 \\sim C176 \\sim C177 \\sim C178 \\sim C179 \\sim C180 \\sim C181
\\sim C182 \\sim C183 \\sim C184 \\sim C185 \\sim C186 \\sim C187 \\sim C188
\\sim C189 \\sim C190 \\sim C191 \\sim C192 \\sim C193 \\sim C194 \\sim C195
\\sim C196 \\sim C197 \\sim C198 \\sim C199 \\sim C200 \\sim C201 \\sim C202
\\sim C203 \\sim C204 \\sim C205 \\sim C206 \\sim C207 \\sim C208 \\sim C209
\\sim C210 \\sim C211 \\sim C212 \\sim C213 \\sim C214 \\sim C215 \\sim C216
\\sim C217 \\sim C218 \\sim C219 \\sim C220 \\sim C221 \\sim C222 \\sim C223
\\sim C224 \\sim C225 \\sim C226 \\sim C227 \\sim C228 \\sim C229 \\sim C230
\\sim C231 \\sim C232 \\sim C233 \\sim C234 \\sim C235 \\sim C236 \\sim C237
\\sim C238 \\sim C239 \\sim C240 \\sim C241 \\sim C242 \\sim C243 \\sim C244
\\sim C245 \\sim C246 \\sim C247 \\sim C248 \\sim C249 \\sim C250 \\sim C251
\\sim C252 \\sim C253 \\sim C254 \\sim C255 \\sim C256 \\sim C257 \\sim C258
\\sim C259 \\sim C260 \\sim C261 \\sim C262 \\sim C263 \\sim C264 \\sim C265
\\sim C266 \\sim C267 \\sim C268 \\sim C269 \\sim C270 \\sim C271 \\sim C272
\\sim C273 \\sim C274 \\sim C275 \\sim C276 \\sim C277 \\sim C278 \\sim C279
\\sim C280 \\sim C281 \\sim C282 \\sim C283 \\sim C284 \\sim C285: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
C186 \\sim C193 \\sim S0Y \\sim C159 \\sim C236 \\sim C267 \\sim C242 \\sim
C222 \\sim C270 \\sim C266 \\sim C243 \\sim C228 \\sim C211: within 1.7A with
sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C4) \\sim
Ueq, Uanis(C5) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C8)
\\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq,
Uanis(C12) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq,
Uanis(C19) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C22)
\\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C25) \\sim Ueq,
Uanis(C26) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C29)
\\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C32) \\sim Ueq,
Uanis(C33) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C36)
\\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39) \\sim Ueq,
Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C43)
\\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C46) \\sim Ueq,
Uanis(C47) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C50)
\\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq,
Uanis(C54) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C57)
\\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C60) \\sim Ueq,
Uanis(C61) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C64)
\\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C67) \\sim Ueq,
Uanis(C68) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C71)
\\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C74) \\sim Ueq,
Uanis(C75) \\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C78)
\\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C81) \\sim Ueq,
Uanis(C82) \\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C85)
\\sim Ueq, Uanis(C86) \\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C88) \\sim Ueq,
Uanis(C89) \\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C92)
\\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C95) \\sim Ueq,
Uanis(C96) \\sim Ueq, Uanis(C97) \\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C99)
\\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C102) \\sim Ueq,
Uanis(C103) \\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C105) \\sim Ueq,
Uanis(C106) \\sim Ueq, Uanis(C107) \\sim Ueq, Uanis(C108) \\sim Ueq,
Uanis(C109) \\sim Ueq, Uanis(C110) \\sim Ueq, Uanis(C111) \\sim Ueq,
Uanis(C112) \\sim Ueq, Uanis(C113) \\sim Ueq, Uanis(C114) \\sim Ueq,
Uanis(C115) \\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C117) \\sim Ueq,
Uanis(C118) \\sim Ueq, Uanis(C119) \\sim Ueq, Uanis(C120) \\sim Ueq,
Uanis(C121) \\sim Ueq, Uanis(C122) \\sim Ueq, Uanis(C123) \\sim Ueq,
Uanis(C124) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C126) \\sim Ueq,
Uanis(C127) \\sim Ueq, Uanis(C128) \\sim Ueq, Uanis(C129) \\sim Ueq,
Uanis(C130) \\sim Ueq, Uanis(C131) \\sim Ueq, Uanis(C132) \\sim Ueq,
Uanis(C133) \\sim Ueq, Uanis(C134) \\sim Ueq, Uanis(C135) \\sim Ueq,
Uanis(C136) \\sim Ueq, Uanis(C137) \\sim Ueq, Uanis(C138) \\sim Ueq,
Uanis(C139) \\sim Ueq, Uanis(C140) \\sim Ueq, Uanis(C141) \\sim Ueq,
Uanis(C142) \\sim Ueq, Uanis(C143) \\sim Ueq, Uanis(C144) \\sim Ueq,
Uanis(C145) \\sim Ueq, Uanis(C146) \\sim Ueq, Uanis(C147) \\sim Ueq,
Uanis(C148) \\sim Ueq, Uanis(C149) \\sim Ueq, Uanis(C150) \\sim Ueq,
Uanis(C151) \\sim Ueq, Uanis(C152) \\sim Ueq, Uanis(C153) \\sim Ueq,
Uanis(C154) \\sim Ueq, Uanis(C155) \\sim Ueq, Uanis(C156) \\sim Ueq,
Uanis(C157) \\sim Ueq, Uanis(C158) \\sim Ueq, Uanis(C159) \\sim Ueq,
Uanis(C160) \\sim Ueq, Uanis(C161) \\sim Ueq, Uanis(C162) \\sim Ueq,
Uanis(C163) \\sim Ueq, Uanis(C164) \\sim Ueq, Uanis(C165) \\sim Ueq,
Uanis(C166) \\sim Ueq, Uanis(C167) \\sim Ueq, Uanis(C168) \\sim Ueq,
Uanis(C169) \\sim Ueq, Uanis(C170) \\sim Ueq, Uanis(C171) \\sim Ueq,
Uanis(C172) \\sim Ueq, Uanis(C173) \\sim Ueq, Uanis(C174) \\sim Ueq,
Uanis(C175) \\sim Ueq, Uanis(C176) \\sim Ueq, Uanis(C177) \\sim Ueq,
Uanis(C178) \\sim Ueq, Uanis(C179) \\sim Ueq, Uanis(C180) \\sim Ueq,
Uanis(C181) \\sim Ueq, Uanis(C182) \\sim Ueq, Uanis(C183) \\sim Ueq,
Uanis(C184) \\sim Ueq, Uanis(C185) \\sim Ueq, Uanis(C186) \\sim Ueq,
Uanis(C187) \\sim Ueq, Uanis(C188) \\sim Ueq, Uanis(C189) \\sim Ueq,
Uanis(C190) \\sim Ueq, Uanis(C191) \\sim Ueq, Uanis(C192) \\sim Ueq,
Uanis(C193) \\sim Ueq, Uanis(C194) \\sim Ueq, Uanis(C195) \\sim Ueq,
Uanis(C196) \\sim Ueq, Uanis(C197) \\sim Ueq, Uanis(C198) \\sim Ueq,
Uanis(C199) \\sim Ueq, Uanis(C200) \\sim Ueq, Uanis(C201) \\sim Ueq,
Uanis(C202) \\sim Ueq, Uanis(C203) \\sim Ueq, Uanis(C204) \\sim Ueq,
Uanis(C205) \\sim Ueq, Uanis(C206) \\sim Ueq, Uanis(C207) \\sim Ueq,
Uanis(C208) \\sim Ueq, Uanis(C209) \\sim Ueq, Uanis(C210) \\sim Ueq,
Uanis(C211) \\sim Ueq, Uanis(C212) \\sim Ueq, Uanis(C213) \\sim Ueq,
Uanis(C214) \\sim Ueq, Uanis(C215) \\sim Ueq, Uanis(C216) \\sim Ueq,
Uanis(C217) \\sim Ueq, Uanis(C218) \\sim Ueq, Uanis(C219) \\sim Ueq,
Uanis(C220) \\sim Ueq, Uanis(C221) \\sim Ueq, Uanis(C222) \\sim Ueq,
Uanis(C223) \\sim Ueq, Uanis(C224) \\sim Ueq, Uanis(C225) \\sim Ueq,
Uanis(C226) \\sim Ueq, Uanis(C227) \\sim Ueq, Uanis(C228) \\sim Ueq,
Uanis(C229) \\sim Ueq, Uanis(C230) \\sim Ueq, Uanis(C231) \\sim Ueq,
Uanis(C232) \\sim Ueq, Uanis(C233) \\sim Ueq, Uanis(C234) \\sim Ueq,
Uanis(C235) \\sim Ueq, Uanis(C236) \\sim Ueq, Uanis(C237) \\sim Ueq,
Uanis(C238) \\sim Ueq, Uanis(C239) \\sim Ueq, Uanis(C240) \\sim Ueq,
Uanis(C241) \\sim Ueq, Uanis(C242) \\sim Ueq, Uanis(C243) \\sim Ueq,
Uanis(C244) \\sim Ueq, Uanis(C245) \\sim Ueq, Uanis(C246) \\sim Ueq,
Uanis(C247) \\sim Ueq, Uanis(C248) \\sim Ueq, Uanis(C249) \\sim Ueq,
Uanis(C250) \\sim Ueq, Uanis(C251) \\sim Ueq, Uanis(C252) \\sim Ueq,
Uanis(C253) \\sim Ueq, Uanis(C254) \\sim Ueq, Uanis(C255) \\sim Ueq,
Uanis(C256) \\sim Ueq, Uanis(C257) \\sim Ueq, Uanis(C258) \\sim Ueq,
Uanis(C259) \\sim Ueq, Uanis(C260) \\sim Ueq, Uanis(C261) \\sim Ueq,
Uanis(C262) \\sim Ueq, Uanis(C263) \\sim Ueq, Uanis(C264) \\sim Ueq,
Uanis(C265) \\sim Ueq, Uanis(C266) \\sim Ueq, Uanis(C267) \\sim Ueq,
Uanis(C268) \\sim Ueq, Uanis(C269) \\sim Ueq, Uanis(C270) \\sim Ueq,
Uanis(C271) \\sim Ueq, Uanis(C272) \\sim Ueq, Uanis(C273) \\sim Ueq,
Uanis(C274) \\sim Ueq, Uanis(C275) \\sim Ueq, Uanis(C276) \\sim Ueq,
Uanis(C277) \\sim Ueq, Uanis(C278) \\sim Ueq, Uanis(C279) \\sim Ueq,
Uanis(C280) \\sim Ueq, Uanis(C281) \\sim Ueq, Uanis(C282) \\sim Ueq,
Uanis(C283) \\sim Ueq, Uanis(C284) \\sim Ueq, Uanis(C285) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C28) = Uanis(C147) = Uanis(C139) = Uanis(C205) = Uanis(C54)
Uanis(C159) = Uanis(C211) = Uanis(C270) = Uanis(C266) = Uanis(C267) =
Uanis(C236)
Uanis(C142) = Uanis(C158) = Uanis(C185) = Uanis(C163) = Uanis(C186)
Uanis(C166) = Uanis(C261) = Uanis(C244) = Uanis(C259) = Uanis(C258) =
Uanis(C193) = Uanis(C240)
4. Rigid body (RIGU) restrains
 C266, C242, C228, C267, C270
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C17,
 C18, C19, C20, C21, C22, C23, C24, C25, C26, C27, C28, C29, C30, C31, C32, C33,
  C34, C35, C36, C37, C38, C39, C40, C41, C42, C43, C44, C45, C46, C47, C48,
 C49, C50, C51, C52, C53, C54, C55, C56, C57, C58, C59, C60, C61, C62, C63, C64,
  C65, C66, C67, C68, C69, C70, C71, C72, C73, C74, C75, C76, C77, C78, C79,
 C80, C81, C82, C83, C84, C85, C86, C87, C88, C89, C90, C91, C92, C93, C94, C95,
  C96, C97, C98, C99, C100, C101, C102, C103, C104, C105, C106, C107, C108,
 C109, C110, C111, C112, C113, C114, C115, C116, C117, C118, C119, C120, C121,
 C122, C123, C124, C125, C126, C127, C128, C129, C130, C131, C132, C133, C134,
 C135, C136, C137, C138, C139, C140, C141, C142, C143, C144, C145, C146, C147,
 C148, C149, C150, C151, C152, C153, C154, C155, C156, C157, C158, C159, C160,
 C161, C162, C163, C164, C165, C166, C167, C168, C169, C170, C171, C172, C173,
 C174, C175, C176, C177, C178, C179, C180, C181, C182, C183, C184, C185, C186,
 C187, C188, C189, C190, C191, C192, C193, C194, C195, C196, C197, C198, C199,
 C200, C201, C202, C203, C204, C205, C206, C207, C208, C209, C210, C211, C212,
 C213, C214, C215, C216, C217, C218, C219, C220, C221, C222, C223, C224, C225,
 C226, C227, C228, C229, C230, C231, C232, C233, C234, C235, C236, C237, C238,
 C239, C240, C241, C242, C243, C244, C245, C246, C247, C248, C249, C250, C251,
 C252, C253, C254, C255, C256, C257, C258, C259, C260, C261, C262, C263, C264,
 C265, C266, C267, C268, C269, C270, C271, C272, C273, C274, C275, C276, C277,
 C278, C279, C280, C281, C282, C283, C284, C285
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5.a Riding coordinates:
 C283(H28E,H28F,H28G)
5.b Ternary CH refined with riding coordinates:
 C5(H5), C11(H11), C29(H29), C48(H48), C50(H50), C53(H53), C62(H62), C77(H77),
 C100(H100), C116(H116), C126(H126), C144(H144), C149(H149), C158(H158),
 C177(H177), C192(H192), C199(H199), C200(H200), C203(H203), C204(H204),
 C205(H205), C212(H212), C215(H215), C225(H225), C227(H227), C234(H234),
 C241(H241), C242(H242), C243(H243), C246(H246), C247(H247), C255(H255),
 C256(H256), C259(H259), C261(H261), C263(H263), C270(H270)
5.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C9(H9A,H9B), C12(H12A,H12B), C20(H20A,H20B), C22(H22A,H22B),
 C26(H26A,H26B), C28(H28A,H28B), C31(H31A,H31B), C32(H32A,H32B), C43(H43A,H43B),
  C46(H46A,H46B), C47(H47A,H47B), C49(H49A,H49B), C65(H65A,H65B), C78(H78A,
 H78B), C79(H79A,H79B), C82(H82A,H82B), C86(H86A,H86B), C89(H89A,H89B),
 C92(H92A,H92B), C94(H94A,H94B), C97(H97A,H97B), C99(H99A,H99B), C102(H10A,
 H10B), C103(H10C,H10D), C105(H10E,H10F), C106(H10G,H10H), C107(H10I,H10J),
 C119(H11A,H11B), C121(H12C,H12D), C130(H13A,H13B), C132(H13C,H13D), C139(H13E,
 H13F), C145(H14A,H14B), C146(H14C,H14D), C147(H14E,H14F), C148(H14G,H14H),
 C153(H15A,H15B), C155(H15C,H15D), C168(H16A,H16B), C181(H18A,H18B), C182(H18C,
 H18D), C188(H18E,H18F), C191(H19A,H19B), C193(H19C,H19D), C194(H19E,H19F),
 C197(H19G,H19H), C198(H19I,H19J), C210(H21A,H21B), C211(H21C,H21D), C213(H21E,
 H21F), C214(H21G,H21H), C221(H22C,H22D), C222(H22E,H22F), C224(H22G,H22H),
 C226(H22I,H22J), C228(H22K,H22L), C230(H23A,H23B), C236(H23C,H23D), C237(H23E,
 H23F), C238(H23G,H23H), C240(H24A,H24B), C245(H24C,H24D), C248(H24E,H24F),
 C258(H25A,H25B), C262(H26C,H26D), C264(H26E,H26F), C266(H26G,H26H), C267(H26I,
 H26J), C268(H26M,H26N), C269(H26K,H26L), C285(H28C,H28D)
5.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C8(H8), C10(H10), C13(H13), C18(H18), C21(H21),
 C27(H27), C30(H30), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38),
  C39(H39), C40(H40), C42(H42), C44(H44), C52(H52), C55(H55), C58(H58),
 C60(H60), C63(H63), C64(H64), C66(H66), C68(H68), C70(H70), C71(H71), C72(H72),
  C73(H73), C74(H74), C80(H80), C81(H81), C83(H83), C85(H85), C87(H87),
 C88(H88), C90(H90), C93(H93), C95(H95), C96(H96), C98(H98), C104(H104),
 C108(H108), C109(H109), C110(H110), C111(H111), C112(H112), C114(H114),
 C115(H115), C117(H117), C118(H118), C122(H122), C123(H123), C124(H124),
 C125(H125), C127(H127), C128(H128), C129(H129), C131(H131), C133(H133),
 C134(H134), C135(H135), C136(H136), C137(H137), C141(H141), C143(H143),
 C150(H150), C151(H151), C152(H152), C154(H154), C156(H156), C157(H157),
 C161(H161), C162(H162), C163(H163), C164(H164), C165(H165), C167(H167),
 C169(H169), C170(H170), C173(H173), C174(H174), C175(H175), C176(H176),
 C178(H178), C179(H179), C180(H180), C183(H183), C185(H185), C186(H186),
 C187(H187), C189(H189), C190(H190), C195(H195), C196(H196), C201(H201),
 C202(H202), C206(H206), C207(H207), C208(H208), C209(H209), C216(H216),
 C218(H218), C219(H219), C220(H220), C223(H223), C229(H229), C231(H231),
 C232(H232), C233(H233), C235(H235), C239(H239), C244(H244), C249(H249),
 C250(H250), C252(H252), C253(H253), C254(H254), C257(H257), C260(H260),
 C265(H265), C271(H271), C272(H272), C274(H274), C275(H275), C276(H276),
 C278(H278), C279(H279), C280(H280), C281(H281), C282(H282)
5.e Fitted hexagon refined as free rotating group:
 C37(C38,C39,C40,C41,C42), C68(C69,C70,C71,C72,C73), C108(C109,C110,C111,C112,
 C113), C133(C134,C135,C136,C137,C138), C249(C250,C251,C252,C253,C254),
 C271(C272,C273,C274,C275,C276), C277(C278,C279,C280,C281,C282)
5.f Idealised Me refined as rotating group:
 C284(H28H,H28I,H28J)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Ag1 Ag 0.72857(6) 0.12741(4) 0.75792(4) 0.023 Uani 1 1 d . . . . .
Ag2 Ag 0.78591(6) 0.18769(4) 0.67390(4) 0.025 Uani 1 1 d . . . . .
Ag3 Ag 0.67731(6) 0.29050(4) 0.66981(4) 0.024 Uani 1 1 d . . . . .
Ag4 Ag 0.79690(6) 0.28012(4) 0.70077(4) 0.025 Uani 1 1 d . . . . .
Ag5 Ag 0.75879(6) 0.27299(5) 0.80421(4) 0.026 Uani 1 1 d . . . . .
Ag6 Ag 0.66053(6) 0.34717(4) 0.75468(4) 0.026 Uani 1 1 d . . . . .
Ag7 Ag 0.71069(6) 0.17777(5) 0.84050(4) 0.026 Uani 1 1 d . . . . .
Ag8 Ag 0.62911(6) 0.20269(4) 0.70825(4) 0.023 Uani 1 1 d . . . . .
Ag9 Ag 0.55755(6) 0.30275(4) 0.75344(4) 0.025 Uani 1 1 d . . . . .
Ag10 Ag 0.83010(6) 0.17154(4) 0.75728(4) 0.024 Uani 1 1 d . . . . .
Ag11 Ag 0.58414(6) 0.20342(5) 0.81122(4) 0.025 Uani 1 1 d . . . . .
Ag12 Ag 0.61003(6) 0.28767(5) 0.84091(4) 0.028 Uani 1 1 d . . . . .
Ag13 Ag 0.73467(6) 0.11393(5) 0.64660(4) 0.031 Uani 1 1 d . . . . .
Ag14 Ag 0.65266(6) 0.02793(5) 0.68843(4) 0.027 Uani 1 1 d . . . . .
Ag15 Ag 0.98905(6) 0.18807(5) 0.82166(4) 0.031 Uani 1 1 d . . . . .
Ag16 Ag 0.82418(7) 0.18842(5) 0.87109(4) 0.031 Uani 1 1 d . . . . .
Ag17 Ag 0.60157(6) 0.09709(5) 0.78481(4) 0.030 Uani 1 1 d . . . . .
Ag18 Ag 0.59428(7) 0.40722(5) 0.67584(4) 0.032 Uani 1 1 d . . . . .
Ag19 Ag 0.45521(7) 0.49119(5) 0.74015(5) 0.034 Uani 1 1 d . . . . .
Ag20 Ag 0.92772(7) 0.23255(5) 0.73022(5) 0.035 Uani 1 1 d . . . . .
Ag21 Ag 0.48498(8) 0.38288(6) 0.82608(5) 0.046 Uani 1 1 d . . . . .
Fe0N Fe 1.16475(14) 0.15748(11) 0.86835(9) 0.030 Uani 1 1 d . . . . .
Fe00 Fe 0.63312(16) -0.10841(11) 0.65832(10) 0.038 Uani 1 1 d . . . . .
Fe1 Fe 0.33074(16) 0.64876(11) 0.71850(11) 0.042 Uani 1 1 d . . . . .
S00Q S 0.4928(2) 0.16465(16) 0.82364(14) 0.029 Uani 1 1 d . . . . .
S0R S 0.7208(2) 0.04203(15) 0.74498(14) 0.027 Uani 1 1 d . . . . .
S0S S 0.8551(2) 0.10748(16) 0.62884(14) 0.030 Uani 1 1 d . . . . .
S0T S 0.6081(2) 0.13502(15) 0.67397(13) 0.026 Uani 1 1 d . . . . .
S0U S 0.8888(2) 0.31801(17) 0.68813(17) 0.037 Uani 1 1 d . . . . .
S0V S 0.6137(2) 0.35089(16) 0.61488(14) 0.029 Uani 1 1 d . . . . .
S0W S 0.8489(2) 0.26918(16) 0.84201(14) 0.029 Uani 1 1 d . . . . .
S0X S 0.9466(2) 0.14436(16) 0.77156(14) 0.027 Uani 1 1 d . . . . .
S0Y S 0.7826(2) 0.11479(17) 0.89087(16) 0.036 Uani 1 1 d . U . . .
P0Z P 0.5420(2) 0.00694(17) 0.71618(15) 0.029 Uani 1 1 d . . . . .
S10 S 0.5885(2) 0.44276(16) 0.74672(15) 0.030 Uani 1 1 d . . . . .
S11 S 0.4553(2) 0.38866(16) 0.75334(16) 0.033 Uani 1 1 d . . . . .
P12 P 1.0358(2) 0.10976(17) 0.87721(14) 0.027 Uani 1 1 d . . . . .
S13 S 0.5354(2) 0.3644(2) 0.89055(17) 0.043 Uani 1 1 d . . . . .
P14 P 1.0599(2) 0.24660(17) 0.80012(15) 0.029 Uani 1 1 d . . . . .
P15 P 0.4155(2) 0.52709(17) 0.66648(16) 0.033 Uani 1 1 d . . . . .
P16 P 0.7501(2) -0.04447(17) 0.63781(15) 0.031 Uani 1 1 d . . . . .
P17 P 0.3959(3) 0.55891(17) 0.80331(17) 0.037 Uani 1 1 d . . . . .
C1 C 0.4641(9) 0.1362(7) 0.8849(6) 0.031 Uani 1 1 d . U . . .
C2 C 0.7022(10) 0.4681(7) 0.6803(6) 0.038 Uani 1 1 d . U . . .
H2A H 0.675418 0.479149 0.657711 0.045 Uiso 1 1 calc R . . . .
H2B H 0.729338 0.430229 0.677760 0.045 Uiso 1 1 calc R . . . .
C3 C 0.5728(10) -0.0406(7) 0.6305(7) 0.040 Uani 1 1 d . U . . .
H3 H 0.587716 -0.014050 0.611550 0.048 Uiso 1 1 calc R . . . .
C4 C 1.1040(10) -0.0008(7) 0.8565(6) 0.036 Uani 1 1 d . U . . .
H4 H 1.146655 0.004605 0.850055 0.043 Uiso 1 1 calc R . . . .
C5 C 0.7573(10) -0.0417(7) 0.8729(7) 0.039 Uani 1 1 d . U . . .
H5 H 0.727265 -0.036890 0.906067 0.046 Uiso 1 1 calc R . . . .
C6 C 0.9368(10) 0.1702(7) 0.9520(7) 0.037 Uani 1 1 d . U . . .
H6 H 0.930568 0.197215 0.928540 0.045 Uiso 1 1 calc R . . . .
C7 C 0.6767(9) 0.3681(7) 0.5596(6) 0.035 Uani 1 1 d . U . . .
C8 C 1.1766(9) 0.0988(7) 0.8287(6) 0.033 Uani 1 1 d . U . . .
H8 H 1.168868 0.103319 0.799305 0.040 Uiso 1 1 calc R . . . .
C9 C 1.0513(10) 0.0282(7) 0.6482(7) 0.041 Uani 1 1 d . U . . .
H9A H 1.007675 0.044396 0.639628 0.049 Uiso 1 1 calc R . . . .
H9B H 1.084204 0.000527 0.626139 0.049 Uiso 1 1 calc R . . . .
C10 C 0.4365(9) 0.1032(6) 0.7449(6) 0.031 Uani 1 1 d . U . . .
H10 H 0.463091 0.102438 0.764164 0.038 Uiso 1 1 calc R . . . .
C11 C 0.7417(11) 0.4919(8) 0.7574(8) 0.051 Uani 1 1 d . U . . .
H11 H 0.767944 0.481629 0.780692 0.061 Uiso 1 1 calc R . . . .
C12 C 0.6203(9) 0.1854(7) 0.5793(6) 0.031 Uani 1 1 d . U . . .
H12A H 0.657458 0.152825 0.565706 0.037 Uiso 1 1 calc R . . . .
H12B H 0.642528 0.206836 0.586666 0.037 Uiso 1 1 calc R . . . .
C13 C 0.5716(9) -0.0340(6) 0.8026(6) 0.028 Uani 1 1 d . U . . .
H13 H 0.614027 -0.028021 0.787496 0.034 Uiso 1 1 calc R . . . .
C14 C 0.4590(9) 0.0605(7) 0.7162(6) 0.031 Uani 1 1 d . U . . .
C15 C 1.0142(8) 0.0908(6) 0.7286(6) 0.026 Uani 1 1 d . U . . .
C16 C 0.4806(9) 0.5423(6) 0.6126(6) 0.029 Uani 1 1 d . U . . .
C17 C 0.5680(8) 0.1716(6) 0.6257(5) 0.023 Uani 1 1 d . U . . .
C18 C 0.9342(9) -0.0481(7) 0.6474(6) 0.035 Uani 1 1 d . U . . .
H18 H 0.954520 -0.022520 0.643926 0.043 Uiso 1 1 calc R . . . .
C19 C 0.5469(10) -0.0427(8) 0.6801(7) 0.042 Uani 1 1 d . U . . .
C20 C 0.6343(9) 0.4180(6) 0.5325(6) 0.028 Uani 1 1 d . U . . .
H20A H 0.596219 0.410999 0.527243 0.033 Uiso 1 1 calc R . . . .
H20B H 0.613123 0.448891 0.551933 0.033 Uiso 1 1 calc R . . . .
C21 C 0.8191(11) -0.0626(8) 0.5399(7) 0.046 Uani 1 1 d . U . . .
H21 H 0.847261 -0.095311 0.549851 0.055 Uiso 1 1 calc R . . . .
C22 C 0.5092(9) 0.2244(7) 0.6460(6) 0.036 Uani 1 1 d . U . . .
H22A H 0.530285 0.245913 0.654398 0.043 Uiso 1 1 calc R . . . .
H22B H 0.475219 0.216668 0.674592 0.043 Uiso 1 1 calc R . . . .
C23 C 0.5243(9) -0.0212(7) 0.7779(6) 0.035 Uani 1 1 d . U . . .
C24 C 1.0402(9) 0.0426(6) 0.8705(6) 0.027 Uani 1 1 d . U . . .
C25 C 1.0146(9) 0.3207(7) 0.8017(6) 0.034 Uani 1 1 d . U . . .
C26 C 0.7185(10) -0.0009(7) 0.8402(6) 0.039 Uani 1 1 d . U . . .
H26A H 0.708894 0.034927 0.848286 0.046 Uiso 1 1 calc R . . . .
H26B H 0.673331 -0.004565 0.844787 0.046 Uiso 1 1 calc R . . . .
C27 C 1.0327(10) 0.3488(8) 0.8268(7) 0.042 Uani 1 1 d . U . . .
H27 H 1.067648 0.331871 0.841846 0.050 Uiso 1 1 calc R . . . .
C28 C 0.7567(10) 0.3730(7) 0.8615(7) 0.042 Uani 1 1 d . U . . .
H28A H 0.790303 0.384907 0.835595 0.050 Uiso 1 1 calc R . . . .
H28B H 0.724885 0.366126 0.848818 0.050 Uiso 1 1 calc R . . . .
C29 C 0.4700(10) 0.2563(7) 0.6088(6) 0.035 Uani 1 1 d . U . . .
H29 H 0.433535 0.289732 0.622315 0.043 Uiso 1 1 calc R . . . .
C30 C 1.1607(11) 0.2735(8) 0.7203(7) 0.047 Uani 1 1 d . U . . .
H30 H 1.155055 0.300650 0.738187 0.056 Uiso 1 1 calc R . . . .
C31 C 1.0002(12) 0.0885(9) 0.4755(8) 0.053 Uani 1 1 d . U . . .
H31A H 1.019928 0.091373 0.441172 0.064 Uiso 1 1 calc R . . . .
H31B H 1.036176 0.060886 0.487572 0.064 Uiso 1 1 calc R . . . .
C32 C 0.7123(10) 0.3186(7) 0.5282(6) 0.037 Uani 1 1 d . U . . .
H32A H 0.739482 0.288257 0.544371 0.045 Uiso 1 1 calc R . . . .
H32B H 0.676312 0.309591 0.522260 0.045 Uiso 1 1 calc R . . . .
C33 C 0.5429(9) 0.5438(6) 0.6184(6) 0.031 Uani 1 1 d . U . . .
H33 H 0.550549 0.536282 0.647993 0.038 Uiso 1 1 calc R . . . .
C34 C 0.4165(10) 0.0603(8) 0.6887(7) 0.043 Uani 1 1 d . U . . .
H34 H 0.430121 0.031985 0.669660 0.052 Uiso 1 1 calc R . . . .
C35 C 0.9786(9) 0.0343(7) 0.8780(6) 0.032 Uani 1 1 d . U . . .
H35 H 0.935142 0.062320 0.886212 0.038 Uiso 1 1 calc R . . . .
C36 C 0.3306(10) 0.1480(8) 0.7187(7) 0.042 Uani 1 1 d . U . . .
H36 H 0.288712 0.176859 0.719918 0.050 Uiso 1 1 calc R . . . .
C37 C 0.3435(6) 0.2913(6) 0.3135(4) 0.058 Uani 1 1 d . U . . .
H37 H 0.378047 0.284398 0.284064 0.070 Uiso 1 1 calc R . . . .
C38 C 0.2720(7) 0.3142(6) 0.3163(4) 0.062 Uani 1 1 d G U . . .
H38 H 0.258665 0.322574 0.288622 0.074 Uiso 1 1 calc R . . . .
C39 C 0.2203(5) 0.3245(6) 0.3603(5) 0.055 Uani 1 1 d G U . . .
H39 H 0.172429 0.339788 0.362155 0.066 Uiso 1 1 calc R . . . .
C40 C 0.2401(6) 0.3119(6) 0.4017(4) 0.051 Uani 1 1 d G U . . .
H40 H 0.205574 0.318826 0.431132 0.061 Uiso 1 1 calc R . . . .
C41 C 0.3117(7) 0.2891(6) 0.3989(4) 0.051 Uani 1 1 d G U . . .
C42 C 0.3633(5) 0.2787(5) 0.3549(4) 0.044 Uani 1 1 d G U . . .
H42 H 0.411193 0.263435 0.353043 0.053 Uiso 1 1 calc R . . . .
C43 C 0.5235(11) 0.1081(8) 0.9080(7) 0.045 Uani 1 1 d . U . . .
H43A H 0.560141 0.079367 0.888319 0.055 Uiso 1 1 calc R . . . .
H43B H 0.544697 0.133316 0.909391 0.055 Uiso 1 1 calc R . . . .
C44 C 1.0848(9) 0.2257(6) 0.8910(6) 0.031 Uani 1 1 d . U . . .
H44 H 1.038042 0.227800 0.906221 0.037 Uiso 1 1 calc R . . . .
C45 C 0.9539(11) 0.3113(8) 0.6273(7) 0.047 Uani 1 1 d . U . . .
C46 C 0.8260(10) -0.0372(8) 0.8678(7) 0.043 Uani 1 1 d . U . . .
H46A H 0.849834 -0.064070 0.888169 0.051 Uiso 1 1 calc R . . . .
H46B H 0.818086 -0.002402 0.877264 0.051 Uiso 1 1 calc R . . . .
C47 C 1.0306(9) 0.1161(7) 0.6770(6) 0.031 Uani 1 1 d . U . . .
H47A H 0.987551 0.132534 0.667694 0.037 Uiso 1 1 calc R . . . .
H47B H 1.050842 0.143087 0.674990 0.037 Uiso 1 1 calc R . . . .
C48 C 1.0362(11) 0.0046(8) 0.6974(7) 0.049 Uani 1 1 d . U . . .
H48 H 1.013696 -0.021049 0.698678 0.059 Uiso 1 1 calc R . . . .
C49 C 0.9819(11) 0.0497(8) 0.7308(7) 0.044 Uani 1 1 d . U . . .
H49A H 0.939143 0.066059 0.721089 0.052 Uiso 1 1 calc R . . . .
H49B H 0.969007 0.035224 0.763085 0.052 Uiso 1 1 calc R . . . .
C50 C 0.9382(12) 0.0732(9) 0.4869(8) 0.055 Uani 1 1 d . U . . .
H50 H 0.951636 0.039771 0.471896 0.066 Uiso 1 1 calc R . . . .
C51 C 0.3135(10) 0.5519(7) 0.8459(7) 0.039 Uani 1 1 d . U . . .
C52 C 0.9736(10) 0.3047(8) 1.0008(7) 0.044 Uani 1 1 d . U . . .
H52 H 0.975237 0.271601 0.995220 0.053 Uiso 1 1 calc R . . . .
C53 C 0.7136(11) 0.4161(9) 0.9001(8) 0.051 Uani 1 1 d . U . . .
H53 H 0.687530 0.449554 0.885854 0.061 Uiso 1 1 calc R . . . .
C54 C 0.7978(10) 0.3201(8) 0.8879(7) 0.042 Uani 1 1 d . U . . .
C55 C 0.4997(12) -0.0632(9) 0.8730(8) 0.052 Uani 1 1 d . U . . .
H55 H 0.491196 -0.076625 0.904321 0.063 Uiso 1 1 calc R . . . .
C56 C 0.6522(8) 0.4800(6) 0.7305(6) 0.027 Uani 1 1 d . U . . .
C57 C 0.7644(8) -0.0098(6) 0.7877(6) 0.026 Uani 1 1 d . U . . .
C58 C 0.9810(11) -0.0159(8) 0.8731(7) 0.048 Uani 1 1 d . U . . .
H58 H 0.938602 -0.021941 0.880738 0.057 Uiso 1 1 calc R . . . .
C59 C 0.3808(9) 0.4908(7) 0.6424(6) 0.034 Uani 1 1 d . U . . .
C60 C 0.8722(10) -0.0339(8) 0.6420(7) 0.042 Uani 1 1 d . U . . .
H60 H 0.849314 0.002084 0.635664 0.050 Uiso 1 1 calc R . . . .
C61 C 1.1257(10) 0.2412(7) 0.7388(7) 0.040 Uani 1 1 d . U . . .
C62 C 1.0836(13) 0.0704(10) 0.6453(9) 0.062 Uani 1 1 d . U . . .
H62 H 1.097541 0.083879 0.612295 0.074 Uiso 1 1 calc R . . . .
C63 C 0.3512(12) 0.1056(9) 0.6914(8) 0.053 Uani 1 1 d . U . . .
H63 H 0.322424 0.105795 0.673935 0.064 Uiso 1 1 calc R . . . .
C64 C 0.4728(11) 0.5501(7) 0.5692(7) 0.042 Uani 1 1 d . U . . .
H64 H 0.432713 0.547517 0.565446 0.050 Uiso 1 1 calc R . . . .
C65 C 0.6916(11) 0.4605(8) 0.7689(7) 0.045 Uani 1 1 d . U . . .
H65A H 0.658004 0.467760 0.800484 0.054 Uiso 1 1 calc R . . . .
H65B H 0.718327 0.422437 0.767162 0.054 Uiso 1 1 calc R . . . .
C66 C 0.5238(11) 0.5621(8) 0.5287(7) 0.045 Uani 1 1 d . U . . .
H66 H 0.516917 0.567813 0.498911 0.054 Uiso 1 1 calc R . . . .
C67 C 0.3776(10) 0.3675(7) 0.7668(7) 0.040 Uani 1 1 d . U . . .
C68 C 0.4468(6) 0.3005(4) 0.4424(5) 0.042 Uani 1 1 d . U . . .
H68 H 0.413490 0.332762 0.455046 0.051 Uiso 1 1 calc R . . . .
C69 C 0.4244(5) 0.2606(5) 0.4377(5) 0.047 Uani 1 1 d G U . . .
C70 C 0.4741(7) 0.2124(4) 0.4188(5) 0.042 Uani 1 1 d G U . . .
H70 H 0.459123 0.185650 0.415674 0.051 Uiso 1 1 calc R . . . .
C71 C 0.5463(6) 0.2042(4) 0.4046(5) 0.062 Uani 1 1 d G U . . .
H71 H 0.579544 0.171950 0.391987 0.075 Uiso 1 1 calc R . . . .
C72 C 0.5687(5) 0.2441(6) 0.4093(6) 0.064 Uani 1 1 d G U . . .
H72 H 0.616939 0.238657 0.399829 0.077 Uiso 1 1 calc R . . . .
C73 C 0.5189(7) 0.2923(5) 0.4282(5) 0.058 Uani 1 1 d G U . . .
H73 H 0.533913 0.319063 0.431359 0.069 Uiso 1 1 calc R . . . .
C74 C 0.3753(10) 0.1465(8) 0.7453(7) 0.042 Uani 1 1 d . U . . .
H74 H 0.363010 0.175437 0.763389 0.050 Uiso 1 1 calc R . . . .
C75 C 0.8375(9) -0.0682(7) 0.6451(6) 0.034 Uani 1 1 d . U . . .
C76 C 0.8831(10) 0.1200(7) 0.5653(7) 0.037 Uani 1 1 d . U . . .
C77 C 0.7824(11) 0.3954(8) 0.5229(7) 0.045 Uani 1 1 d . U . . .
H77 H 0.819088 0.403737 0.529376 0.054 Uiso 1 1 calc R . . . .
C78 C 0.3522(13) 0.3501(10) 0.8199(9) 0.064 Uani 1 1 d . U . . .
H78A H 0.390936 0.320962 0.828135 0.077 Uiso 1 1 calc R . . . .
H78B H 0.338469 0.379660 0.839655 0.077 Uiso 1 1 calc R . . . .
C79 C 0.4386(11) 0.1301(8) 0.9894(7) 0.046 Uani 1 1 d . U . . .
H79A H 0.457625 0.155628 0.993268 0.055 Uiso 1 1 calc R . . . .
H79B H 0.419119 0.115515 1.020601 0.055 Uiso 1 1 calc R . . . .
C80 C 0.8961(10) 0.1795(8) 1.0001(7) 0.041 Uani 1 1 d . U . . .
H80 H 0.865770 0.213927 1.008984 0.050 Uiso 1 1 calc R . . . .
C81 C 0.9008(11) 0.1373(8) 1.0348(8) 0.048 Uani 1 1 d . U . . .
H81 H 0.870812 0.142856 1.065861 0.058 Uiso 1 1 calc R . . . .
C82 C 1.0791(10) 0.0675(8) 0.7429(7) 0.045 Uani 1 1 d . U . . .
H82A H 1.067752 0.053696 0.775518 0.054 Uiso 1 1 calc R . . . .
H82B H 1.098476 0.094842 0.741157 0.054 Uiso 1 1 calc R . . . .
C83 C 0.9945(12) 0.4057(9) 0.8285(8) 0.057 Uani 1 1 d . U . . .
H83 H 1.002215 0.426045 0.846698 0.069 Uiso 1 1 calc R . . . .
C84 C 1.1264(9) 0.0987(6) 0.8726(6) 0.030 Uani 1 1 d . U . . .
C85 C 1.0965(10) 0.1227(7) 1.0391(6) 0.038 Uani 1 1 d . U . . .
H85 H 1.091856 0.091592 1.034250 0.046 Uiso 1 1 calc R . . . .
C86 C 0.4337(10) 0.2219(7) 0.5973(7) 0.041 Uani 1 1 d . U . . .
H86A H 0.399167 0.214517 0.625769 0.049 Uiso 1 1 calc R . . . .
H86B H 0.409509 0.240522 0.573842 0.049 Uiso 1 1 calc R . . . .
C87 C 0.9472(11) 0.4295(9) 0.8033(7) 0.049 Uani 1 1 d . U . . .
H87 H 0.922457 0.466071 0.804989 0.059 Uiso 1 1 calc R . . . .
C88 C 0.8718(12) -0.1237(9) 0.6581(8) 0.054 Uani 1 1 d . U . . .
H88 H 0.849548 -0.148299 0.662511 0.065 Uiso 1 1 calc R . . . .
C89 C 0.7421(11) 0.4416(8) 0.4959(7) 0.046 Uani 1 1 d . U . . .
H89A H 0.774873 0.448538 0.466192 0.055 Uiso 1 1 calc R . . . .
H89B H 0.720555 0.473245 0.514380 0.055 Uiso 1 1 calc R . . . .
C90 C 0.5918(10) 0.5567(7) 0.5793(7) 0.039 Uani 1 1 d . U . . .
H90 H 0.631304 0.559777 0.583510 0.047 Uiso 1 1 calc R . . . .
C91 C 0.9857(8) 0.1202(6) 0.9410(6) 0.025 Uani 1 1 d . U . . .
C92 C 0.4054(11) 0.1807(8) 0.9163(7) 0.045 Uani 1 1 d . U . . .
H92A H 0.423692 0.207669 0.917915 0.054 Uiso 1 1 calc R . . . .
H92B H 0.366365 0.197346 0.902852 0.054 Uiso 1 1 calc R . . . .
C93 C 0.2731(12) 0.5842(9) 0.8837(8) 0.056 Uani 1 1 d . U . . .
H93 H 0.283878 0.613585 0.885576 0.067 Uiso 1 1 calc R . . . .
C94 C 0.9071(10) 0.0664(7) 0.5403(7) 0.040 Uani 1 1 d . U . . .
H94A H 0.942343 0.038636 0.552944 0.047 Uiso 1 1 calc R . . . .
H94B H 0.866495 0.055542 0.547105 0.047 Uiso 1 1 calc R . . . .
C95 C 1.0443(11) -0.0573(8) 0.8574(7) 0.047 Uani 1 1 d . U . . .
H95 H 1.044563 -0.089551 0.850694 0.056 Uiso 1 1 calc R . . . .
C96 C 0.5610(10) -0.0553(7) 0.8482(6) 0.036 Uani 1 1 d . U . . .
H96 H 0.596705 -0.064366 0.862376 0.043 Uiso 1 1 calc R . . . .
C97 C 0.7198(10) 0.3820(7) 0.4541(7) 0.041 Uani 1 1 d . U . . .
H97A H 0.753336 0.389838 0.425285 0.049 Uiso 1 1 calc R . . . .
H97B H 0.685011 0.374275 0.445350 0.049 Uiso 1 1 calc R . . . .
C98 C 0.9514(10) 0.0873(7) 1.0215(7) 0.039 Uani 1 1 d . U . . .
H98 H 0.956994 0.059399 1.044281 0.047 Uiso 1 1 calc R . . . .
C99 C 0.5301(9) 0.1405(7) 0.6138(6) 0.034 Uani 1 1 d . U . . .
H99A H 0.564612 0.106421 0.601417 0.041 Uiso 1 1 calc R . . . .
H99B H 0.495705 0.133543 0.642531 0.041 Uiso 1 1 calc R . . . .
C100 C 0.4974(11) 0.0854(8) 0.9581(7) 0.046 Uani 1 1 d . U . . .
H100 H 0.536943 0.068980 0.971654 0.056 Uiso 1 1 calc R . . . .
C101 C 0.8960(11) 0.2513(8) 1.1071(7) 0.043 Uani 1 1 d . U . . .
C102 C 0.7665(14) 0.4255(10) 0.9199(9) 0.067 Uani 1 1 d . U . . .
H10A H 0.800902 0.436716 0.894034 0.080 Uiso 1 1 calc R . . . .
H10B H 0.740670 0.453822 0.942382 0.080 Uiso 1 1 calc R . . . .
C103 C 0.8166(12) 0.3461(9) 0.4930(8) 0.056 Uani 1 1 d . U . . .
H10C H 0.842951 0.316121 0.509945 0.068 Uiso 1 1 calc R . . . .
H10D H 0.849813 0.352643 0.463356 0.068 Uiso 1 1 calc R . . . .
C104 C 0.6994(9) -0.1243(7) 0.6989(6) 0.036 Uani 1 1 d . U . . .
H104 H 0.688093 -0.108393 0.727144 0.043 Uiso 1 1 calc R . . . .
C105 C 0.6612(11) 0.3970(8) 0.9414(8) 0.050 Uani 1 1 d . U . . .
H10E H 0.627954 0.391166 0.929469 0.060 Uiso 1 1 calc R . . . .
H10F H 0.634348 0.424668 0.964417 0.060 Uiso 1 1 calc R . . . .
C106 C 0.7959(13) 0.4824(10) 0.7059(8) 0.060 Uani 1 1 d . U . . .
H10G H 0.826796 0.502674 0.700065 0.072 Uiso 1 1 calc R . . . .
H10H H 0.825215 0.444934 0.702567 0.072 Uiso 1 1 calc R . . . .
C107 C 0.5227(9) 0.2687(7) 0.5628(6) 0.033 Uani 1 1 d . U . . .
H10I H 0.497803 0.287540 0.539746 0.040 Uiso 1 1 calc R . . . .
H10J H 0.543902 0.291260 0.569353 0.040 Uiso 1 1 calc R . . . .
C108 C 0.2728(8) 0.3775(5) 0.4631(3) 0.053 Uani 1 1 d . U . . .
H108 H 0.285978 0.381141 0.430074 0.064 Uiso 1 1 calc R . . . .
C109 C 0.2359(8) 0.4226(4) 0.4902(5) 0.066 Uani 1 1 d G U . . .
H109 H 0.224500 0.456313 0.475259 0.079 Uiso 1 1 calc R . . . .
C110 C 0.2162(8) 0.4172(4) 0.5395(5) 0.057 Uani 1 1 d G U . . .
H110 H 0.191509 0.447333 0.557609 0.068 Uiso 1 1 calc R . . . .
C111 C 0.2332(8) 0.3668(5) 0.5618(3) 0.061 Uani 1 1 d G U . . .
H111 H 0.219996 0.363181 0.594775 0.074 Uiso 1 1 calc R . . . .
C112 C 0.2701(8) 0.3217(4) 0.5347(4) 0.055 Uani 1 1 d G U . . .
H112 H 0.281474 0.288008 0.549591 0.066 Uiso 1 1 calc R . . . .
C113 C 0.2898(7) 0.3271(4) 0.4854(4) 0.044 Uani 1 1 d G U . . .
C114 C 0.8409(10) 0.2781(8) 1.0856(7) 0.044 Uani 1 1 d . U . . .
H114 H 0.847057 0.303542 1.061238 0.052 Uiso 1 1 calc R . . . .
C115 C 0.9928(10) 0.0787(7) 0.9754(6) 0.037 Uani 1 1 d . U . . .
H115 H 1.025982 0.044995 0.966900 0.044 Uiso 1 1 calc R . . . .
C116 C 0.3797(11) 0.1578(8) 0.9651(8) 0.049 Uani 1 1 d . U . . .
H116 H 0.342363 0.186812 0.984838 0.059 Uiso 1 1 calc R . . . .
C117 C 0.3147(11) 0.5069(8) 0.6407(7) 0.048 Uani 1 1 d . U . . .
H117 H 0.282611 0.540386 0.651239 0.058 Uiso 1 1 calc R . . . .
C118 C 0.5414(13) -0.1159(10) 0.6540(9) 0.062 Uani 1 1 d . U . . .
H118 H 0.531832 -0.146209 0.653060 0.074 Uiso 1 1 calc R . . . .
C119 C 0.8359(10) -0.0026(7) 0.7813(7) 0.040 Uani 1 1 d . U . . .
H11A H 0.864994 -0.006572 0.748287 0.047 Uiso 1 1 calc R . . . .
H11B H 0.826675 0.032750 0.790365 0.047 Uiso 1 1 calc R . . . .
C120 C 0.7662(10) -0.0283(7) 0.5733(7) 0.040 Uani 1 1 d . U . . .
C121 C 0.7499(12) 0.3565(9) 0.9864(8) 0.056 Uani 1 1 d . U . . .
H12C H 0.774952 0.324438 1.002068 0.068 Uiso 1 1 calc R . . . .
H12D H 0.722784 0.383916 1.009556 0.068 Uiso 1 1 calc R . . . .
C122 C 0.4595(12) -0.0275(9) 0.8025(8) 0.057 Uani 1 1 d . U . . .
H122 H 0.424124 -0.016493 0.787748 0.069 Uiso 1 1 calc R . . . .
C123 C 0.8854(12) 0.2149(9) 1.1415(8) 0.052 Uani 1 1 d . U . . .
H123 H 0.921759 0.197145 1.155148 0.062 Uiso 1 1 calc R . . . .
C124 C 0.5282(11) -0.0901(8) 0.6951(8) 0.051 Uani 1 1 d . U . . .
H124 H 0.510504 -0.101439 0.726348 0.061 Uiso 1 1 calc R . . . .
C125 C 1.1065(10) -0.0507(7) 0.8518(7) 0.040 Uani 1 1 d . U . . .
H125 H 1.149482 -0.079307 0.844946 0.048 Uiso 1 1 calc R . . . .
C126 C 0.7537(11) 0.5004(8) 0.6699(8) 0.049 Uani 1 1 d . U . . .
H126 H 0.786745 0.493828 0.637686 0.059 Uiso 1 1 calc R . . . .
C127 C 0.5721(13) -0.0868(9) 0.6141(9) 0.061 Uani 1 1 d . U . . .
H127 H 0.588960 -0.096338 0.582607 0.073 Uiso 1 1 calc R . . . .
C128 C 1.2444(10) 0.0903(7) 0.8368(7) 0.040 Uani 1 1 d . U . . .
H128 H 1.287007 0.089913 0.814104 0.048 Uiso 1 1 calc R . . . .
C129 C 1.1629(9) 0.0867(7) 0.9094(6) 0.033 Uani 1 1 d . U . . .
H129 H 1.142837 0.082557 0.941991 0.040 Uiso 1 1 calc R . . . .
C130 C 0.4034(13) 0.3215(9) 0.7354(9) 0.059 Uani 1 1 d . U . . .
H13A H 0.442326 0.292589 0.743590 0.071 Uiso 1 1 calc R . . . .
H13B H 0.420559 0.332599 0.702401 0.071 Uiso 1 1 calc R . . . .
C131 C 0.2921(11) 0.4721(8) 0.6224(7) 0.046 Uani 1 1 d . U . . .
H131 H 0.244321 0.482686 0.624514 0.055 Uiso 1 1 calc R . . . .
C132 C 0.6047(10) 0.5404(7) 0.7350(7) 0.036 Uani 1 1 d . U . . .
H13C H 0.571622 0.547137 0.766854 0.043 Uiso 1 1 calc R . . . .
H13D H 0.577976 0.551566 0.712385 0.043 Uiso 1 1 calc R . . . .
C133 C 0.2631(6) 0.2048(5) 0.4794(4) 0.044 Uani 1 1 d . U . . .
H133 H 0.236364 0.225099 0.459548 0.053 Uiso 1 1 calc R . . . .
C134 C 0.2473(6) 0.1619(5) 0.5065(5) 0.053 Uani 1 1 d G U . . .
H134 H 0.209998 0.153536 0.504671 0.064 Uiso 1 1 calc R . . . .
C135 C 0.2873(8) 0.1315(5) 0.5362(5) 0.057 Uani 1 1 d G U . . .
H135 H 0.276722 0.102774 0.554260 0.069 Uiso 1 1 calc R . . . .
C136 C 0.3431(7) 0.1439(5) 0.5388(5) 0.070 Uani 1 1 d G U . . .
H136 H 0.369813 0.123575 0.558726 0.084 Uiso 1 1 calc R . . . .
C137 C 0.3589(6) 0.1868(5) 0.5118(5) 0.045 Uani 1 1 d G U . . .
H137 H 0.396179 0.195139 0.513604 0.054 Uiso 1 1 calc R . . . .
C138 C 0.3189(7) 0.2172(4) 0.4821(4) 0.044 Uani 1 1 d G U . . .
C139 C 0.7426(10) 0.3039(8) 0.9314(7) 0.042 Uani 1 1 d . U . . .
H13E H 0.711483 0.294818 0.919782 0.050 Uiso 1 1 calc R . . . .
H13F H 0.768081 0.272144 0.947177 0.050 Uiso 1 1 calc R . . . .
C140 C 1.1140(10) 0.2307(7) 0.8409(6) 0.036 Uani 1 1 d . U . . .
C141 C 0.9722(11) 0.3640(8) 1.0489(8) 0.048 Uani 1 1 d . U . . .
H141 H 0.969663 0.373240 1.078158 0.057 Uiso 1 1 calc R . . . .
C142 C 0.3722(11) 0.6281(8) 0.7733(8) 0.048 Uani 1 1 d . U . . .
C143 C 0.4290(11) 0.4423(8) 0.6209(7) 0.045 Uani 1 1 d . U . . .
H143 H 0.477050 0.431351 0.618154 0.054 Uiso 1 1 calc R . . . .
C144 C 0.8048(12) 0.3754(9) 0.9443(8) 0.054 Uani 1 1 d . U . . .
H144 H 0.837560 0.382225 0.956576 0.064 Uiso 1 1 calc R . . . .
C145 C 0.3478(11) 0.1174(8) 0.9630(8) 0.050 Uani 1 1 d . U . . .
H14A H 0.309101 0.134248 0.949296 0.060 Uiso 1 1 calc R . . . .
H14B H 0.328950 0.103993 0.994916 0.060 Uiso 1 1 calc R . . . .
C146 C 0.938(2) 0.2802(15) 0.5952(13) 0.107 Uani 1 1 d . U . . .
H14C H 0.889584 0.298210 0.594333 0.128 Uiso 1 1 calc R . . . .
H14D H 0.942946 0.244522 0.608838 0.128 Uiso 1 1 calc R . . . .
C147 C 0.8477(10) 0.3295(8) 0.9078(7) 0.042 Uani 1 1 d . U . . .
H14E H 0.883664 0.339407 0.882207 0.050 Uiso 1 1 calc R . . . .
H14F H 0.871413 0.297026 0.923643 0.050 Uiso 1 1 calc R . . . .
C148 C 0.4449(12) 0.3070(9) 0.9386(8) 0.053 Uani 1 1 d . U . . .
H14G H 0.485218 0.274462 0.928622 0.064 Uiso 1 1 calc R . . . .
H14H H 0.420914 0.318878 0.914381 0.064 Uiso 1 1 calc R . . . .
C149 C 0.8752(10) -0.0454(7) 0.8131(7) 0.039 Uani 1 1 d . U . . .
H149 H 0.920704 -0.041951 0.809372 0.047 Uiso 1 1 calc R . . . .
C150 C 0.3406(11) 0.6392(8) 0.6475(8) 0.049 Uani 1 1 d . U . . .
H150 H 0.375204 0.644119 0.620060 0.059 Uiso 1 1 calc R . . . .
C151 C 1.1093(10) 0.2153(8) 1.0520(7) 0.044 Uani 1 1 d . U . . .
H151 H 1.115185 0.246683 1.054907 0.052 Uiso 1 1 calc R . . . .
C152 C 1.1334(9) 0.2174(7) 0.9143(7) 0.036 Uani 1 1 d . U . . .
H152 H 1.126578 0.213537 0.946905 0.043 Uiso 1 1 calc R . . . .
C153 C 0.8319(12) 0.1634(9) 0.5450(8) 0.054 Uani 1 1 d . U . . .
H15A H 0.820217 0.196405 0.559470 0.064 Uiso 1 1 calc R . . . .
H15B H 0.788484 0.155832 0.553120 0.064 Uiso 1 1 calc R . . . .
C154 C 0.4035(14) 0.4102(10) 0.6033(9) 0.067 Uani 1 1 d . U . . .
H154 H 0.434909 0.376948 0.591893 0.080 Uiso 1 1 calc R . . . .
C155 C 0.4334(10) 0.0939(7) 0.8821(6) 0.038 Uani 1 1 d . U . . .
H15C H 0.395147 0.110129 0.867954 0.045 Uiso 1 1 calc R . . . .
H15D H 0.470280 0.065287 0.862367 0.045 Uiso 1 1 calc R . . . .
C156 C 1.1810(11) 0.1921(8) 0.6670(8) 0.049 Uani 1 1 d . U . . .
H156 H 1.185022 0.165621 0.649062 0.059 Uiso 1 1 calc R . . . .
C157 C 0.5847(10) 0.5653(7) 0.5340(7) 0.041 Uani 1 1 d . U . . .
H157 H 0.619159 0.573002 0.508014 0.050 Uiso 1 1 calc R . . . .
C158 C 0.4205(11) 0.6388(8) 0.7327(7) 0.048 Uani 1 1 d . U . . .
H158 H 0.468136 0.613964 0.717339 0.058 Uiso 1 1 calc R . . . .
C159 C 0.7357(8) 0.1191(6) 0.9570(6) 0.045 Uani 1 1 d D U . . .
C160 C 0.7293(9) -0.1044(7) 0.6503(6) 0.035 Uani 1 1 d . U . . .
C161 C 0.7767(11) 0.2670(8) 1.1003(7) 0.048 Uani 1 1 d . U . . .
H161 H 0.740425 0.285993 1.086841 0.058 Uiso 1 1 calc R . . . .
C162 C 0.7349(11) -0.1409(8) 0.6173(7) 0.044 Uani 1 1 d . U . . .
H162 H 0.750182 -0.137944 0.584294 0.053 Uiso 1 1 calc R . . . .
C163 C 0.3110(11) 0.6728(8) 0.7863(8) 0.048 Uani 1 1 d . U . . .
H163 H 0.270910 0.676357 0.812553 0.058 Uiso 1 1 calc R . . . .
C164 C 1.2302(12) 0.0830(9) 0.8867(8) 0.054 Uani 1 1 d . U . . .
H164 H 1.263983 0.076405 0.902037 0.064 Uiso 1 1 calc R . . . .
C165 C 0.7225(13) 0.0221(10) 0.5579(9) 0.062 Uani 1 1 d . U . . .
H165 H 0.685015 0.045473 0.579802 0.074 Uiso 1 1 calc R . . . .
C166 C 0.4703(12) 0.3505(9) 0.9455(8) 0.053 Uani 1 1 d . U . . .
C167 C 1.1619(11) 0.1263(8) 1.0247(7) 0.042 Uani 1 1 d . U . . .
H167 H 1.202228 0.098103 1.010290 0.051 Uiso 1 1 calc R . . . .
C168 C 0.5438(11) 0.1836(8) 0.5331(7) 0.045 Uani 1 1 d . U . . .
H16A H 0.517980 0.203103 0.510687 0.054 Uiso 1 1 calc R . . . .
H16B H 0.579297 0.150811 0.518703 0.054 Uiso 1 1 calc R . . . .
C169 C 0.8312(12) -0.0501(9) 0.4932(8) 0.056 Uani 1 1 d . U . . .
H169 H 0.867745 -0.074362 0.471680 0.067 Uiso 1 1 calc R . . . .
C170 C 0.7380(12) 0.0354(9) 0.5080(8) 0.056 Uani 1 1 d . U . . .
H170 H 0.712983 0.068801 0.497004 0.067 Uiso 1 1 calc R . . . .
C171 C 0.3417(10) 0.5909(7) 0.6783(7) 0.037 Uani 1 1 d . U . . .
C172 C 0.9722(11) 0.3122(8) 1.0459(7) 0.047 Uani 1 1 d . U . . .
C173 C 1.1374(10) 0.1980(8) 0.7132(7) 0.041 Uani 1 1 d . U . . .
H173 H 1.115512 0.173263 0.727583 0.049 Uiso 1 1 calc R . . . .
C174 C 0.2160(14) 0.5746(11) 0.9195(10) 0.070 Uani 1 1 d . U . . .
H174 H 0.189409 0.596272 0.945426 0.084 Uiso 1 1 calc R . . . .
C175 C 0.7697(12) 0.2270(9) 1.1354(8) 0.053 Uani 1 1 d . U . . .
H175 H 0.730175 0.216948 1.143755 0.063 Uiso 1 1 calc R . . . .
C176 C 0.9716(11) -0.1010(8) 0.6582(7) 0.043 Uani 1 1 d . U . . .
H176 H 1.016520 -0.110601 0.661523 0.051 Uiso 1 1 calc R . . . .
C177 C 0.4930(10) 0.1704(7) 0.5779(7) 0.040 Uani 1 1 d . U . . .
H177 H 0.472184 0.147878 0.569949 0.048 Uiso 1 1 calc R . . . .
C178 C 1.0360(10) 0.1647(7) 1.0609(7) 0.040 Uani 1 1 d . U . . .
H178 H 0.992273 0.160296 1.070395 0.048 Uiso 1 1 calc R . . . .
C179 C 0.9755(13) 0.4004(10) 1.0125(9) 0.063 Uani 1 1 d . U . . .
H179 H 0.979295 0.432193 1.016586 0.075 Uiso 1 1 calc R . . . .
C180 C 0.2703(12) 0.6779(10) 0.6716(8) 0.059 Uani 1 1 d . U . . .
H180 H 0.251867 0.713344 0.661448 0.071 Uiso 1 1 calc R . . . .
C181 C 0.8882(11) -0.1023(8) 0.8004(8) 0.048 Uani 1 1 d . U . . .
H18A H 0.916971 -0.108544 0.767523 0.058 Uiso 1 1 calc R . . . .
H18B H 0.913304 -0.128760 0.820430 0.058 Uiso 1 1 calc R . . . .
C182 C 0.3172(14) 0.4174(10) 0.7498(10) 0.069 Uani 1 1 d . U . . .
H18C H 0.334979 0.427255 0.716534 0.082 Uiso 1 1 calc R . . . .
H18D H 0.300966 0.448121 0.768721 0.082 Uiso 1 1 calc R . . . .
C183 C 0.7118(12) -0.1827(9) 0.6464(8) 0.055 Uani 1 1 d . U . . .
H183 H 0.710737 -0.212047 0.634938 0.066 Uiso 1 1 calc R . . . .
C184 C 1.0379(12) 0.2119(9) 1.0692(8) 0.051 Uani 1 1 d . U . . .
C185 C 0.3895(11) 0.6924(8) 0.7172(8) 0.048 Uani 1 1 d . U . . .
H185 H 0.409569 0.710254 0.690292 0.058 Uiso 1 1 calc R . . . .
C186 C 0.3240(11) 0.7123(8) 0.7499(7) 0.048 Uani 1 1 d . U . . .
H186 H 0.292093 0.746989 0.748601 0.058 Uiso 1 1 calc R . . . .
C187 C 0.3366(12) 0.4260(9) 0.6028(8) 0.056 Uani 1 1 d . U . . .
H187 H 0.321722 0.405717 0.589352 0.068 Uiso 1 1 calc R . . . .
C188 C 0.4688(12) 0.0430(9) 0.9544(8) 0.052 Uani 1 1 d . U . . .
H18E H 0.452459 0.027125 0.985636 0.063 Uiso 1 1 calc R . . . .
H18F H 0.505982 0.015065 0.934075 0.063 Uiso 1 1 calc R . . . .
C189 C 0.9657(10) 0.3474(7) 0.7767(7) 0.040 Uani 1 1 d . U . . .
H189 H 0.953722 0.327898 0.760350 0.049 Uiso 1 1 calc R . . . .
C190 C 0.6915(10) -0.1719(8) 0.6939(7) 0.043 Uani 1 1 d . U . . .
H190 H 0.674841 -0.193218 0.719207 0.051 Uiso 1 1 calc R . . . .
C191 C 1.1475(16) 0.0445(12) 0.6621(11) 0.082 Uani 1 1 d . U . . .
H19A H 1.182308 0.017495 0.639902 0.098 Uiso 1 1 calc R . . . .
H19B H 1.167872 0.071258 0.660494 0.098 Uiso 1 1 calc R . . . .
C192 C 0.5804(10) 0.2167(7) 0.5426(7) 0.040 Uani 1 1 d . U . . .
H192 H 0.614064 0.224054 0.512971 0.048 Uiso 1 1 calc R . . . .
C193 C 0.4074(11) 0.3997(9) 0.9586(8) 0.053 Uani 1 1 d . U . . .
H19C H 0.423188 0.426319 0.964503 0.064 Uiso 1 1 calc R . . . .
H19D H 0.390264 0.412603 0.931218 0.064 Uiso 1 1 calc R . . . .
C194 C 0.7100(12) 0.5597(9) 0.6742(8) 0.056 Uani 1 1 d . U . . .
H19E H 0.684001 0.571296 0.651070 0.067 Uiso 1 1 calc R . . . .
H19F H 0.741469 0.579695 0.667424 0.067 Uiso 1 1 calc R . . . .
C195 C 1.1988(11) 0.2161(8) 0.8759(7) 0.046 Uani 1 1 d . U . . .
H195 H 1.242264 0.211175 0.879559 0.055 Uiso 1 1 calc R . . . .
C196 C 0.4468(15) -0.0493(10) 0.8471(10) 0.071 Uani 1 1 d . U . . .
H196 H 0.404440 -0.055569 0.861711 0.085 Uiso 1 1 calc R . . . .
C197 C 0.2325(16) 0.3786(12) 0.8098(11) 0.082 Uani 1 1 d . U . . .
H19G H 0.191594 0.368252 0.816252 0.098 Uiso 1 1 calc R . . . .
H19H H 0.217004 0.409873 0.827919 0.098 Uiso 1 1 calc R . . . .
C198 C 1.0985(14) -0.0236(11) 0.7167(10) 0.072 Uani 1 1 d . U . . .
H19I H 1.130860 -0.055417 0.699412 0.087 Uiso 1 1 calc R . . . .
H19J H 1.082387 -0.033563 0.750155 0.087 Uiso 1 1 calc R . . . .
C199 C 0.9824(13) 0.1422(9) 0.4966(9) 0.061 Uani 1 1 d . U . . .
H199 H 1.024892 0.151753 0.487635 0.073 Uiso 1 1 calc R . . . .
C200 C 0.7604(11) 0.3320(8) 0.4823(7) 0.046 Uani 1 1 d . U . . .
H200 H 0.784010 0.301065 0.462172 0.055 Uiso 1 1 calc R . . . .
C201 C 0.9727(11) 0.3421(8) 0.9637(8) 0.051 Uani 1 1 d . U . . .
H201 H 0.971785 0.334206 0.934973 0.061 Uiso 1 1 calc R . . . .
C202 C 0.9733(13) 0.3910(10) 0.9692(9) 0.062 Uani 1 1 d . U . . .
H202 H 0.972200 0.416929 0.944560 0.074 Uiso 1 1 calc R . . . .
C203 C 0.6831(10) 0.4295(8) 0.4854(7) 0.040 Uani 1 1 d . U . . .
H203 H 0.656322 0.460343 0.468851 0.048 Uiso 1 1 calc R . . . .
C204 C 0.4052(11) 0.0713(8) 0.9328(7) 0.044 Uani 1 1 d . U . . .
H204 H 0.384650 0.045364 0.931249 0.053 Uiso 1 1 calc R . . . .
C205 C 0.6989(10) 0.3450(7) 0.9665(7) 0.042 Uani 1 1 d . U . . .
H205 H 0.664134 0.333016 0.992057 0.050 Uiso 1 1 calc R . . . .
C206 C 0.9356(14) 0.4009(10) 0.7759(10) 0.070 Uani 1 1 d . U . . .
H206 H 0.906729 0.418361 0.756628 0.084 Uiso 1 1 calc R . . . .
C207 C 0.8250(12) 0.2006(9) 1.1592(8) 0.057 Uani 1 1 d . U . . .
H207 H 0.819963 0.175978 1.184452 0.069 Uiso 1 1 calc R . . . .
C208 C 1.1842(10) 0.2233(7) 0.8336(7) 0.040 Uani 1 1 d . U . . .
H208 H 1.217274 0.223283 0.803863 0.048 Uiso 1 1 calc R . . . .
C209 C 1.1662(11) 0.1730(8) 1.0322(7) 0.046 Uani 1 1 d . U . . .
H209 H 1.210934 0.175582 1.023150 0.055 Uiso 1 1 calc R . . . .
C210 C 0.9445(16) 0.3666(12) 0.6024(11) 0.082 Uani 1 1 d . U . . .
H21A H 0.896559 0.383047 0.600105 0.098 Uiso 1 1 calc R . . . .
H21B H 0.951101 0.388944 0.621156 0.098 Uiso 1 1 calc R . . . .
C211 C 0.6974(10) 0.0809(7) 0.9733(6) 0.045 Uani 1 1 d D U . . .
H21C H 0.661411 0.090538 0.957395 0.054 Uiso 1 1 calc R . . . .
H21D H 0.730867 0.045575 0.963676 0.054 Uiso 1 1 calc R . . . .
C212 C 0.2540(14) 0.3944(10) 0.7587(9) 0.067 Uani 1 1 d . U . . .
H212 H 0.213559 0.421756 0.749986 0.080 Uiso 1 1 calc R . . . .
C213 C 0.6979(14) 0.5515(10) 0.7599(10) 0.070 Uani 1 1 d . U . . .
H21E H 0.664328 0.558716 0.791575 0.083 Uiso 1 1 calc R . . . .
H21F H 0.729293 0.571122 0.754685 0.083 Uiso 1 1 calc R . . . .
C214 C 0.7743(12) -0.0997(9) 0.8580(8) 0.055 Uani 1 1 d . U . . .
H21G H 0.800316 -0.125917 0.877598 0.066 Uiso 1 1 calc R . . . .
H21H H 0.730091 -0.105187 0.863233 0.066 Uiso 1 1 calc R . . . .
C215 C 0.8160(10) -0.1070(8) 0.8083(7) 0.044 Uani 1 1 d . U . . .
H215 H 0.824378 -0.142981 0.800258 0.053 Uiso 1 1 calc R . . . .
C216 C 0.9233(18) 0.3474(14) 1.2017(12) 0.095 Uani 1 1 d . U . . .
H216 H 0.888218 0.379404 1.213613 0.114 Uiso 1 1 calc R . . . .
C217 C 0.9750(13) 0.2832(9) 1.1386(8) 0.058 Uani 1 1 d . U . . .
C218 C 0.2346(16) 0.6527(11) 0.7129(10) 0.075 Uani 1 1 d . U . . .
H218 H 0.189533 0.669096 0.733566 0.090 Uiso 1 1 calc R . . . .
C219 C 1.2181(13) 0.2249(9) 0.6479(9) 0.061 Uani 1 1 d . U . . .
H219 H 1.250848 0.219237 0.617665 0.073 Uiso 1 1 calc R . . . .
C220 C 1.2071(13) 0.2673(9) 0.6735(8) 0.060 Uani 1 1 d . U . . .
H220 H 1.230181 0.291422 0.659794 0.072 Uiso 1 1 calc R . . . .
C221 C 0.3193(13) 0.2849(9) 0.7937(8) 0.058 Uani 1 1 d . U . . .
H22C H 0.361716 0.258219 0.799700 0.070 Uiso 1 1 calc R . . . .
H22D H 0.284111 0.268129 0.800930 0.070 Uiso 1 1 calc R . . . .
C222 C 0.6820(12) 0.1733(8) 0.9687(7) 0.071 Uani 1 1 d D U . . .
H22E H 0.645561 0.182006 0.953348 0.085 Uiso 1 1 calc R . . . .
H22F H 0.704025 0.200124 0.959322 0.085 Uiso 1 1 calc R . . . .
C223 C 0.2953(17) 0.5134(13) 0.8424(12) 0.089 Uani 1 1 d . U . . .
H223 H 0.324072 0.490707 0.817436 0.106 Uiso 1 1 calc R . . . .
B07K B 0.3367(12) 0.2721(9) 0.4507(8) 0.040 Uani 1 1 d . . . . .
C224 C 0.7782(10) -0.0667(7) 0.7750(7) 0.041 Uani 1 1 d . U . . .
H22G H 0.733458 -0.070544 0.778636 0.049 Uiso 1 1 calc R . . . .
H22H H 0.807524 -0.072876 0.742170 0.049 Uiso 1 1 calc R . . . .
C225 C 0.6580(12) 0.5708(9) 0.7242(8) 0.056 Uani 1 1 d . U . . .
H225 H 0.631337 0.609155 0.726957 0.067 Uiso 1 1 calc R . . . .
C226 C 1.0291(19) 0.2787(16) 0.6270(14) 0.113 Uani 1 1 d . U . . .
H22I H 1.031820 0.243326 0.640674 0.136 Uiso 1 1 calc R . . . .
H22J H 1.043432 0.295318 0.646171 0.136 Uiso 1 1 calc R . . . .
C227 C 1.1373(17) 0.0201(12) 0.7090(11) 0.087 Uani 1 1 d . U . . .
H227 H 1.181643 0.004846 0.717356 0.104 Uiso 1 1 calc R . . . .
C228 C 0.6105(10) 0.1330(7) 1.0374(8) 0.054 Uani 1 1 d D U . . .
H22K H 0.574825 0.142805 1.021183 0.065 Uiso 1 1 calc R . . . .
H22L H 0.586880 0.135008 1.071383 0.065 Uiso 1 1 calc R . . . .
C229 C 0.9405(11) -0.1396(9) 0.6640(7) 0.049 Uani 1 1 d . U . . .
H229 H 0.964278 -0.174931 0.671634 0.059 Uiso 1 1 calc R . . . .
C230 C 0.8783(14) 0.1193(10) 0.4678(10) 0.068 Uani 1 1 d . U . . .
H23A H 0.895047 0.122154 0.433396 0.082 Uiso 1 1 calc R . . . .
H23B H 0.835818 0.110286 0.477086 0.082 Uiso 1 1 calc R . . . .
C231 C 0.9257(15) 0.3265(11) 1.1629(10) 0.072 Uani 1 1 d . U . . .
H231 H 0.887558 0.344818 1.151052 0.086 Uiso 1 1 calc R . . . .
C232 C 0.7910(14) -0.0021(10) 0.4761(10) 0.071 Uani 1 1 d . U . . .
H232 H 0.799332 0.004961 0.443535 0.085 Uiso 1 1 calc R . . . .
C233 C 1.0281(13) 0.2534(10) 1.1622(9) 0.064 Uani 1 1 d . U . . .
H233 H 1.060022 0.220656 1.149944 0.076 Uiso 1 1 calc R . . . .
C234 C 0.2893(17) 0.3324(13) 0.8295(12) 0.092 Uani 1 1 d . U . . .
H234 H 0.270535 0.321888 0.862853 0.111 Uiso 1 1 calc R . . . .
C235 C 0.2774(14) 0.6007(10) 0.7170(9) 0.067 Uani 1 1 d . U . . .
H235 H 0.266524 0.575919 0.740864 0.081 Uiso 1 1 calc R . . . .
C236 C 0.7897(9) 0.1008(8) 0.9829(5) 0.045 Uani 1 1 d D U . . .
H23C H 0.825381 0.067109 0.970513 0.054 Uiso 1 1 calc R . . . .
H23D H 0.813142 0.126503 0.976577 0.054 Uiso 1 1 calc R . . . .
C237 C 0.9242(11) 0.1854(9) 0.4782(8) 0.051 Uani 1 1 d . U . . .
H23E H 0.910549 0.218607 0.492987 0.061 Uiso 1 1 calc R . . . .
H23F H 0.943336 0.191021 0.444143 0.061 Uiso 1 1 calc R . . . .
C238 C 0.9540(11) 0.1346(8) 0.5518(7) 0.046 Uani 1 1 d . U . . .
H23G H 0.943122 0.167154 0.566728 0.055 Uiso 1 1 calc R . . . .
H23H H 0.990026 0.106168 0.563236 0.055 Uiso 1 1 calc R . . . .
C239 C 0.2026(15) 0.5324(11) 0.9140(10) 0.074 Uani 1 1 d . U . . .
H239 H 0.169233 0.522106 0.938833 0.089 Uiso 1 1 calc R . . . .
C240 C 0.5002(12) 0.3389(9) 0.9869(8) 0.053 Uani 1 1 d . U . . .
H24A H 0.509976 0.369399 0.991319 0.064 Uiso 1 1 calc R . . . .
H24B H 0.544389 0.308516 0.980364 0.064 Uiso 1 1 calc R . . . .
C241 C 0.3479(12) 0.3973(9) 0.9989(8) 0.053 Uani 1 1 d . U . . .
H241 H 0.307272 0.430984 1.004209 0.064 Uiso 1 1 calc R . . . .
C242 C 0.6519(10) 0.1690(9) 1.0214(7) 0.072 Uani 1 1 d D U . . .
H242 H 0.620192 0.204672 1.032556 0.086 Uiso 1 1 calc R . . . .
C243 C 0.6626(10) 0.0785(8) 1.0254(6) 0.076 Uani 1 1 d D U . . .
H243 H 0.636933 0.053762 1.032539 0.091 Uiso 1 1 calc R . . . .
C244 C 0.3840(10) 0.3783(7) 1.0424(8) 0.053 Uani 1 1 d D U . . .
H244 H 0.368465 0.397848 1.069286 0.064 Uiso 1 1 calc R . . . .
C245 C 0.9851(17) 0.3338(12) 0.5222(11) 0.084 Uani 1 1 d . U . . .
H24C H 1.019841 0.331897 0.491023 0.100 Uiso 1 1 calc R . . . .
H24D H 0.938168 0.352741 0.518534 0.100 Uiso 1 1 calc R . . . .
C246 C 0.3368(15) 0.3008(11) 0.7428(10) 0.073 Uani 1 1 d . U . . .
H246 H 0.352413 0.270247 0.723231 0.088 Uiso 1 1 calc R . . . .
C247 C 0.997(2) 0.3627(17) 0.5532(14) 0.117 Uani 1 1 d . U . . .
H247 H 0.994299 0.398524 0.539365 0.140 Uiso 1 1 calc R . . . .
B08G B 0.9703(13) 0.2657(12) 1.0924(8) 0.053 Uani 1 1 d . . . . .
C248 C 0.2856(15) 0.3460(11) 0.7274(10) 0.079 Uani 1 1 d . U . . .
H24E H 0.247206 0.335674 0.726923 0.094 Uiso 1 1 calc R . . . .
H24F H 0.307836 0.356407 0.695125 0.094 Uiso 1 1 calc R . . . .
C249 C 0.4636(6) 0.6116(3) 0.8927(4) 0.037 Uani 1 1 d . U . . .
H249 H 0.457994 0.644319 0.902180 0.044 Uiso 1 1 calc R . . . .
C250 C 0.4360(6) 0.6098(3) 0.8575(4) 0.037 Uani 1 1 d G U . . .
H250 H 0.411816 0.641249 0.843355 0.044 Uiso 1 1 calc R . . . .
C251 C 0.4444(6) 0.5609(4) 0.8434(4) 0.037 Uani 1 1 d G U . . .
C252 C 0.4805(6) 0.5139(3) 0.8645(4) 0.037 Uani 1 1 d G U . . .
H252 H 0.486143 0.481146 0.855008 0.044 Uiso 1 1 calc R . . . .
C253 C 0.5082(6) 0.5157(3) 0.8997(4) 0.037 Uani 1 1 d G U . . .
H253 H 0.532321 0.484215 0.913833 0.044 Uiso 1 1 calc R . . . .
C254 C 0.4997(6) 0.5646(4) 0.9138(4) 0.037 Uani 1 1 d G U . . .
H254 H 0.518247 0.565801 0.937419 0.044 Uiso 1 1 calc R . . . .
C255 C 0.8609(14) 0.1716(11) 0.4878(9) 0.070 Uani 1 1 d . U . . .
H255 H 0.824673 0.200110 0.475859 0.084 Uiso 1 1 calc R . . . .
C256 C 0.991(2) 0.2767(15) 0.5428(14) 0.109 Uani 1 1 d . U . . .
H256 H 0.978685 0.258690 0.522927 0.131 Uiso 1 1 calc R . . . .
C257 C 0.9807(17) 0.3158(13) 1.2244(12) 0.091 Uani 1 1 d . U . . .
H257 H 0.980790 0.326008 1.252479 0.109 Uiso 1 1 calc R . . . .
C258 C 0.3266(10) 0.3455(7) 0.9991(8) 0.053 Uani 1 1 d D U . . .
H25A H 0.293945 0.341151 1.029959 0.064 Uiso 1 1 calc R . . . .
H25B H 0.302682 0.351402 0.975349 0.064 Uiso 1 1 calc R . . . .
C259 C 0.3908(10) 0.2963(7) 0.9890(6) 0.053 Uani 1 1 d D U . . .
H259 H 0.377019 0.266907 0.985946 0.064 Uiso 1 1 calc R . . . .
C260 C 0.2361(19) 0.5027(14) 0.8728(13) 0.102 Uani 1 1 d . U . . .
H260 H 0.220087 0.478076 0.866424 0.123 Uiso 1 1 calc R . . . .
C261 C 0.4442(10) 0.3264(6) 1.0341(8) 0.053 Uani 1 1 d D U . . .
H261 H 0.464485 0.317198 1.060530 0.064 Uiso 1 1 calc R . . . .
C262 C 1.0618(17) 0.2470(13) 0.5453(12) 0.090 Uani 1 1 d . U . . .
H26C H 1.095613 0.244438 0.513643 0.108 Uiso 1 1 calc R . . . .
H26D H 1.065375 0.211122 0.558057 0.108 Uiso 1 1 calc R . . . .
C263 C 1.079(2) 0.2747(14) 0.5767(13) 0.103 Uani 1 1 d . U . . .
H263 H 1.127030 0.253598 0.577976 0.124 Uiso 1 1 calc R . . . .
C264 C 1.078(2) 0.3284(15) 0.5558(15) 0.117 Uani 1 1 d . U . . .
H26E H 1.111859 0.325423 0.524191 0.140 Uiso 1 1 calc R . . . .
H26F H 1.090427 0.345752 0.575446 0.140 Uiso 1 1 calc R . . . .
C265 C 1.0362(17) 0.2684(13) 1.2007(11) 0.090 Uani 1 1 d . U . . .
H265 H 1.075489 0.249260 1.211197 0.108 Uiso 1 1 calc R . . . .
C266 C 0.7162(9) 0.0595(7) 1.0514(7) 0.045 Uani 1 1 d D U . . .
H26G H 0.692798 0.061987 1.085354 0.054 Uiso 1 1 calc R . . . .
H26H H 0.745918 0.022566 1.044670 0.054 Uiso 1 1 calc R . . . .
C267 C 0.7077(9) 0.1487(6) 1.0460(7) 0.045 Uani 1 1 d D U . . .
H26I H 0.733806 0.172851 1.037849 0.054 Uiso 1 1 calc R . . . .
H26J H 0.684257 0.149848 1.079974 0.054 Uiso 1 1 calc R . . . .
Au1 Au 0.69391(3) 0.23769(2) 0.75645(2) 0.019 Uani 0.9935 1 d . . . . .
Cl1 Cl 0.2299(3) 0.2818(3) 0.9627(2) 0.063 Uani 1 1 d . . . . .
Cl0A Cl 0.1554(4) 0.3950(3) 0.9465(3) 0.102 Uani 1 1 d . . . . .
C268 C 0.1528(15) 0.3313(11) 0.9584(11) 0.079 Uani 1 1 d . U . . .
H26M H 0.115544 0.331240 0.988043 0.095 Uiso 1 1 calc R . . . .
H26N H 0.139467 0.322896 0.933508 0.095 Uiso 1 1 calc R . . . .
C269 C 0.7304(11) 0.3818(9) 0.5713(8) 0.050 Uani 1 1 d . U . . .
H26K H 0.756954 0.351824 0.588122 0.060 Uiso 1 1 calc R . . . .
H26L H 0.706868 0.412155 0.591435 0.060 Uiso 1 1 calc R . . . .
C270 C 0.7598(8) 0.0937(6) 1.0350(5) 0.045 Uani 1 1 d D U . . .
H270 H 0.796163 0.083680 1.051147 0.054 Uiso 1 1 calc R . . . .
C271 C 1.3017(7) -0.0616(5) 0.8001(3) 0.050 Uani 1 1 d . U . . .
H271 H 1.279104 -0.046193 0.829567 0.060 Uiso 1 1 calc R . . . .
C272 C 1.3362(7) -0.1165(4) 0.7974(4) 0.050 Uani 1 1 d G U . . .
H272 H 1.336702 -0.137850 0.825128 0.060 Uiso 1 1 calc R . . . .
C273 C 1.3700(7) -0.1395(4) 0.7534(4) 0.050 Uani 1 1 d G U . . .
C274 C 1.3693(7) -0.1076(5) 0.7120(3) 0.050 Uani 1 1 d G U . . .
H274 H 1.391909 -0.122973 0.682501 0.060 Uiso 1 1 calc R . . . .
C275 C 1.3348(7) -0.0527(4) 0.7146(4) 0.050 Uani 1 1 d G U . . .
H275 H 1.334311 -0.031316 0.686939 0.060 Uiso 1 1 calc R . . . .
C276 C 1.3010(7) -0.0297(4) 0.7587(4) 0.050 Uani 1 1 d G U . . .
H276 H 1.277908 0.007075 0.760471 0.060 Uiso 1 1 calc R . . . .
C277 C 0.8071(7) 0.1663(5) 0.3311(4) 0.050 Uani 1 1 d . U . . .
C278 C 0.8108(7) 0.1867(5) 0.3694(3) 0.050 Uani 1 1 d G U . . .
H278 H 0.783772 0.180945 0.400090 0.060 Uiso 1 1 calc R . . . .
C279 C 0.8548(7) 0.2158(5) 0.3616(4) 0.050 Uani 1 1 d G U . . .
H279 H 0.857315 0.229411 0.387198 0.060 Uiso 1 1 calc R . . . .
C280 C 0.8952(7) 0.2244(5) 0.3157(4) 0.050 Uani 1 1 d G U . . .
H280 H 0.924675 0.243830 0.310521 0.060 Uiso 1 1 calc R . . . .
C281 C 0.8915(7) 0.2040(5) 0.2775(3) 0.050 Uani 1 1 d G U . . .
H281 H 0.918492 0.209784 0.246736 0.060 Uiso 1 1 calc R . . . .
C282 C 0.8474(7) 0.1750(5) 0.2852(4) 0.050 Uani 1 1 d G U . . .
H282 H 0.844949 0.161318 0.259627 0.060 Uiso 1 1 calc R . . . .
C283 C 1.4234(11) -0.1918(8) 0.7398(8) 0.050 Uani 1 1 d . U . . .
H28E H 1.468042 -0.192558 0.741010 0.075 Uiso 1 1 d R . . . .
H28F H 1.426902 -0.195178 0.707520 0.075 Uiso 1 1 d R . . . .
H28G H 1.411902 -0.220808 0.759230 0.075 Uiso 1 1 d R . . . .
C284 C 0.7472(11) 0.1404(8) 0.3540(8) 0.050 Uani 1 1 d . U . . .
H28H H 0.738777 0.135619 0.387778 0.075 Uiso 1 1 calc GR . . . .
H28I H 0.762859 0.106387 0.340603 0.075 Uiso 1 1 calc GR . . . .
H28J H 0.704073 0.163451 0.347380 0.075 Uiso 1 1 calc GR . . . .
C285 C 0.4256(12) 0.2816(7) 1.0271(7) 0.053 Uani 1 1 d D U . . .
H28C H 0.468290 0.250210 1.018500 0.064 Uiso 1 1 calc R . . . .
H28D H 0.393641 0.273069 1.056578 0.064 Uiso 1 1 calc R . . . .


_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
Ag1 Ag2 2.9313(16) . ?
Ag1 Ag7 2.8675(16) . ?
Ag1 Ag8 2.9500(16) . ?
Ag1 Ag10 2.8529(15) . ?
Ag1 Ag11 3.0307(16) . ?
Ag1 Ag13 3.3669(16) . ?
Ag1 Ag17 2.9549(16) . ?
Ag1 S0R 2.494(4) . ?
Ag1 Au1 2.7956(12) . ?
Ag2 Ag3 2.8805(16) . ?
Ag2 Ag4 2.8797(15) . ?
Ag2 Ag8 3.0351(16) . ?
Ag2 Ag10 2.8701(16) . ?
Ag2 Ag13 2.9594(16) . ?
Ag2 S0S 2.430(4) . ?
Ag2 Au1 2.7533(13) . ?
Ag3 Ag4 2.9076(15) . ?
Ag3 Ag6 3.0377(16) . ?
Ag3 Ag8 2.8757(16) . ?
Ag3 Ag9 2.8630(17) . ?
Ag3 Ag18 2.9821(17) . ?
Ag3 S0V 2.480(4) . ?
Ag3 Au1 2.8112(13) . ?
Ag4 Ag5 2.9146(17) . ?
Ag4 Ag6 2.8488(16) . ?
Ag4 Ag10 3.1014(16) . ?
Ag4 Ag20 2.9641(17) . ?
Ag4 S0U 2.449(4) . ?
Ag4 Au1 2.7904(13) . ?
Ag5 Ag6 2.9215(16) . ?
Ag5 Ag7 3.0505(16) . ?
Ag5 Ag10 2.9172(16) . ?
Ag5 Ag12 2.8774(16) . ?
Ag5 Ag16 3.0229(17) . ?
Ag5 S0W 2.510(4) . ?
Ag5 Au1 2.7812(12) . ?
Ag6 Ag9 2.9059(15) . ?
Ag6 Ag12 2.9161(17) . ?
Ag6 Ag18 3.0733(17) . ?
Ag6 S10 2.478(4) . ?
Ag6 Au1 2.7781(13) . ?
Ag7 Ag10 2.8696(16) . ?
Ag7 Ag11 2.9220(16) . ?
Ag7 Ag12 2.9328(17) . ?
Ag7 Ag16 2.9943(16) . ?
Ag7 S0Y 2.501(4) . ?
Ag7 Au1 2.8116(13) . ?
Ag8 Ag9 2.8624(15) . ?
Ag8 Ag11 2.9010(16) . ?
Ag8 Ag13 2.9637(16) . ?
Ag8 S0T 2.496(4) . ?
Ag8 Au1 2.7849(12) . ?
Ag9 Ag11 2.9216(17) . ?
Ag9 Ag12 3.0940(16) . ?
Ag9 Ag21 2.9276(17) . ?
Ag9 S11 2.510(4) . ?
Ag9 Au1 2.7910(13) . ?
Ag10 Ag20 2.9746(17) . ?
Ag10 S0X 2.477(4) . ?
Ag10 Au1 2.7774(12) . ?
Ag11 Ag12 2.8902(16) . ?
Ag11 Ag17 2.9779(16) . ?
Ag11 S00Q 2.456(4) . ?
Ag11 Au1 2.7622(13) . ?
Ag12 Ag21 3.0226(19) . ?
Ag12 S13 2.443(4) . ?
Ag12 Au1 2.7644(13) . ?
Ag13 Ag14 3.2887(17) . ?
Ag13 S0S 2.387(4) . ?
Ag13 S0T 2.404(4) . ?
Ag14 Ag17 3.3388(17) . ?
Ag14 S0R 2.733(4) . ?
Ag14 S0T 2.702(4) . ?
Ag14 P0Z 2.483(4) . ?
Ag14 P16 2.490(4) . ?
Ag15 Ag16 3.3250(18) . ?
Ag15 Ag20 3.2846(18) . ?
Ag15 S0W 2.886(4) . ?
Ag15 S0X 2.618(4) . ?
Ag15 P12 2.570(4) . ?
Ag15 P14 2.471(4) . ?
Ag16 S0W 2.410(4) . ?
Ag16 S0Y 2.403(4) . ?
Ag17 S00Q 2.391(4) . ?
Ag17 S0R 2.398(4) . ?
Ag18 Ag19 3.1786(18) . ?
Ag18 S0V 2.405(4) . ?
Ag18 S10 2.423(4) . ?
Ag19 S10 2.702(4) . ?
Ag19 S11 2.751(4) . ?
Ag19 P15 2.540(5) . ?
Ag19 P17 2.512(4) . ?
Ag20 S0U 2.434(5) . ?
Ag20 S0X 2.459(4) . ?
Ag21 S11 2.433(5) . ?
Ag21 S13 2.412(5) . ?
Fe0N C8 2.035(18) . ?
Fe0N C44 2.003(17) . ?
Fe0N C84 2.030(17) . ?
Fe0N C128 2.052(19) . ?
Fe0N C129 2.110(17) . ?
Fe0N C140 2.052(17) . ?
Fe0N C152 2.069(19) . ?
Fe0N C164 2.08(2) . ?
Fe0N C195 2.06(2) . ?
Fe0N C208 2.030(19) . ?
Fe00 C3 2.034(18) . ?
Fe00 C19 2.012(19) . ?
Fe00 C104 2.049(18) . ?
Fe00 C118 2.10(3) . ?
Fe00 C124 2.03(2) . ?
Fe00 C127 2.03(2) . ?
Fe00 C160 2.034(18) . ?
Fe00 C162 2.02(2) . ?
Fe00 C183 2.06(2) . ?
Fe00 C190 2.074(19) . ?
Fe1 C142 2.02(2) . ?
Fe1 C150 2.11(2) . ?
Fe1 C158 2.01(2) . ?
Fe1 C163 2.09(2) . ?
Fe1 C171 2.034(19) . ?
Fe1 C180 2.09(2) . ?
Fe1 C185 2.02(2) . ?
Fe1 C186 2.04(2) . ?
Fe1 C218 2.08(3) . ?
Fe1 C235 2.06(3) . ?
S00Q C1 1.861(17) . ?
S0R C57 1.920(15) . ?
S0S C76 1.804(19) . ?
S0T C17 1.875(14) . ?
S0U C45 1.86(2) . ?
S0V C7 1.867(18) . ?
S0W C54 1.86(2) . ?
S0X C15 1.900(16) . ?
S0Y C159 1.890(19) . ?
P0Z C14 1.811(16) . ?
P0Z C19 1.82(2) . ?
P0Z C23 1.848(18) . ?
S10 C56 1.891(17) . ?
S11 C67 1.86(2) . ?
P12 C24 1.835(17) . ?
P12 C84 1.802(17) . ?
P12 C91 1.852(16) . ?
S13 C166 1.85(2) . ?
P14 C25 1.870(18) . ?
P14 C61 1.88(2) . ?
P14 C140 1.846(18) . ?
P15 C16 1.845(17) . ?
P15 C59 1.794(18) . ?
P15 C171 1.829(18) . ?
P16 C75 1.807(18) . ?
P16 C120 1.850(19) . ?
P16 C160 1.800(18) . ?
P17 C51 1.85(2) . ?
P17 C142 1.90(2) . ?
P17 C251 1.851(9) . ?
C1 C43 1.53(2) . ?
C1 C92 1.53(3) . ?
C1 C155 1.55(2) . ?
C2 C56 1.52(2) . ?
C2 C126 1.58(3) . ?
C3 C19 1.40(3) . ?
C3 C127 1.43(3) . ?
C4 C24 1.40(2) . ?
C4 C125 1.37(3) . ?
C5 C26 1.54(2) . ?
C5 C46 1.48(3) . ?
C5 C214 1.58(3) . ?
C6 C80 1.41(3) . ?
C6 C91 1.37(2) . ?
C7 C20 1.58(2) . ?
C7 C32 1.56(3) . ?
C7 C269 1.49(3) . ?
C8 C84 1.39(2) . ?
C8 C128 1.48(3) . ?
C9 C48 1.48(3) . ?
C9 C62 1.53(3) . ?
C10 C14 1.39(2) . ?
C10 C74 1.38(2) . ?
C11 C65 1.54(3) . ?
C11 C106 1.57(3) . ?
C11 C213 1.53(3) . ?
C12 C17 1.55(2) . ?
C12 C192 1.56(2) . ?
C13 C23 1.36(2) . ?
C13 C96 1.37(2) . ?
C14 C34 1.42(3) . ?
C15 C47 1.56(2) . ?
C15 C49 1.51(3) . ?
C15 C82 1.46(2) . ?
C16 C33 1.42(2) . ?
C16 C64 1.34(3) . ?
C17 C22 1.55(2) . ?
C17 C99 1.53(2) . ?
C18 C60 1.29(3) . ?
C18 C176 1.39(3) . ?
C19 C124 1.45(3) . ?
C20 C203 1.51(2) . ?
C21 C120 1.37(3) . ?
C21 C169 1.34(3) . ?
C22 C29 1.56(2) . ?
C23 C122 1.39(3) . ?
C24 C35 1.36(2) . ?
C25 C27 1.39(3) . ?
C25 C189 1.39(2) . ?
C26 C57 1.54(2) . ?
C27 C83 1.45(3) . ?
C28 C53 1.57(3) . ?
C28 C54 1.61(3) . ?
C29 C86 1.57(3) . ?
C29 C107 1.54(2) . ?
C30 C61 1.31(3) . ?
C30 C220 1.41(3) . ?
C31 C50 1.46(3) . ?
C31 C199 1.55(3) . ?
C32 C200 1.50(3) . ?
C33 C90 1.38(3) . ?
C34 C63 1.45(3) . ?
C35 C58 1.38(3) . ?
C36 C63 1.37(3) . ?
C36 C74 1.43(3) . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C38 C39 1.3900 . ?
C39 C40 1.3900 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
C41 B07K 1.74(2) . ?
C43 C100 1.53(3) . ?
C44 C140 1.42(3) . ?
C44 C152 1.37(2) . ?
C45 C146 1.57(4) . ?
C45 C210 1.53(3) . ?
C45 C226 1.50(4) . ?
C46 C149 1.61(3) . ?
C47 C62 1.52(3) . ?
C48 C49 1.54(3) . ?
C48 C198 1.51(3) . ?
C50 C94 1.52(3) . ?
C50 C230 1.60(3) . ?
C51 C93 1.37(3) . ?
C51 C223 1.28(4) . ?
C52 C172 1.39(3) . ?
C52 C201 1.37(3) . ?
C53 C102 1.56(3) . ?
C53 C105 1.53(3) . ?
C54 C139 1.57(3) . ?
C54 C147 1.50(3) . ?
C55 C96 1.35(3) . ?
C55 C196 1.48(3) . ?
C56 C65 1.56(2) . ?
C56 C132 1.56(2) . ?
C57 C119 1.56(2) . ?
C57 C224 1.55(2) . ?
C58 C95 1.37(3) . ?
C59 C117 1.33(3) . ?
C59 C143 1.41(3) . ?
C60 C75 1.37(3) . ?
C61 C173 1.41(3) . ?
C62 C191 1.49(4) . ?
C64 C66 1.42(3) . ?
C66 C157 1.40(3) . ?
C67 C78 1.55(3) . ?
C67 C130 1.50(3) . ?
C67 C182 1.62(3) . ?
C68 C69 1.3900 . ?
C68 C73 1.3900 . ?
C69 C70 1.3900 . ?
C69 B07K 1.69(2) . ?
C70 C71 1.3900 . ?
C71 C72 1.3900 . ?
C72 C73 1.3900 . ?
C75 C88 1.45(3) . ?
C76 C94 1.57(3) . ?
C76 C153 1.48(3) . ?
C76 C238 1.62(3) . ?
C77 C89 1.51(3) . ?
C77 C103 1.53(3) . ?
C77 C269 1.59(3) . ?
C78 C234 1.52(4) . ?
C79 C100 1.53(3) . ?
C79 C116 1.55(3) . ?
C80 C81 1.41(3) . ?
C81 C98 1.39(3) . ?
C82 C227 1.61(4) . ?
C83 C87 1.36(3) . ?
C84 C129 1.48(2) . ?
C85 C167 1.35(3) . ?
C85 C178 1.39(3) . ?
C86 C177 1.52(3) . ?
C87 C206 1.36(3) . ?
C88 C229 1.43(3) . ?
C89 C203 1.56(3) . ?
C90 C157 1.39(3) . ?
C91 C115 1.39(2) . ?
C92 C116 1.50(3) . ?
C93 C174 1.40(3) . ?
C95 C125 1.36(3) . ?
C97 C200 1.59(3) . ?
C97 C203 1.51(3) . ?
C98 C115 1.36(3) . ?
C99 C177 1.50(2) . ?
C100 C188 1.53(3) . ?
C101 C114 1.42(3) . ?
C101 C123 1.33(3) . ?
C101 B08G 1.68(3) . ?
C102 C144 1.51(3) . ?
C103 C200 1.53(3) . ?
C104 C160 1.48(3) . ?
C104 C190 1.41(3) . ?
C105 C205 1.55(3) . ?
C106 C126 1.53(3) . ?
C107 C192 1.52(2) . ?
C108 C109 1.3900 . ?
C108 C113 1.3900 . ?
C109 C110 1.3900 . ?
C110 C111 1.3900 . ?
C111 C112 1.3900 . ?
C112 C113 1.3900 . ?
C113 B07K 1.73(2) . ?
C114 C161 1.43(3) . ?
C116 C145 1.52(3) . ?
C117 C131 1.46(3) . ?
C118 C124 1.41(3) . ?
C118 C127 1.43(3) . ?
C119 C149 1.55(2) . ?
C120 C165 1.43(3) . ?
C121 C144 1.57(3) . ?
C121 C205 1.55(3) . ?
C122 C196 1.35(3) . ?
C123 C207 1.40(3) . ?
C126 C194 1.52(3) . ?
C128 C164 1.41(3) . ?
C129 C164 1.34(3) . ?
C130 C246 1.66(4) . ?
C131 C187 1.33(3) . ?
C132 C225 1.57(3) . ?
C133 C134 1.3900 . ?
C133 C138 1.3900 . ?
C134 C135 1.3900 . ?
C135 C136 1.3900 . ?
C136 C137 1.3900 . ?
C137 C138 1.3900 . ?
C138 B07K 1.73(2) . ?
C139 C205 1.46(3) . ?
C140 C208 1.38(3) . ?
C141 C172 1.43(3) . ?
C141 C179 1.35(3) . ?
C142 C158 1.37(3) . ?
C142 C163 1.39(3) . ?
C143 C154 1.44(3) . ?
C144 C147 1.58(3) . ?
C145 C204 1.53(3) . ?
C146 C256 1.58(5) . ?
C148 C166 1.55(3) . ?
C148 C259 1.62(3) . ?
C149 C181 1.55(3) . ?
C150 C171 1.47(3) . ?
C150 C180 1.48(3) . ?
C151 C184 1.47(3) . ?
C151 C209 1.35(3) . ?
C152 C195 1.47(3) . ?
C153 C255 1.62(3) . ?
C154 C187 1.33(3) . ?
C155 C204 1.55(3) . ?
C156 C173 1.37(3) . ?
C156 C219 1.35(3) . ?
C158 C185 1.42(3) . ?
C159 C211 1.486(10) . ?
C159 C222 1.485(10) . ?
C159 C236 1.490(10) . ?
C160 C162 1.46(3) . ?
C161 C175 1.40(3) . ?
C162 C183 1.45(3) . ?
C163 C186 1.43(3) . ?
C165 C170 1.43(3) . ?
C166 C193 1.48(3) . ?
C166 C240 1.52(3) . ?
C167 C209 1.37(3) . ?
C168 C177 1.50(3) . ?
C168 C192 1.51(3) . ?
C169 C232 1.38(3) . ?
C170 C232 1.39(3) . ?
C171 C235 1.43(3) . ?
C172 B08G 1.72(3) . ?
C174 C239 1.33(4) . ?
C175 C207 1.47(3) . ?
C176 C229 1.40(3) . ?
C178 C184 1.37(3) . ?
C179 C202 1.38(3) . ?
C180 C218 1.44(4) . ?
C181 C215 1.53(3) . ?
C182 C212 1.63(4) . ?
C183 C190 1.39(3) . ?
C184 B08G 1.66(3) . ?
C185 C186 1.37(3) . ?
C188 C204 1.58(3) . ?
C189 C206 1.35(3) . ?
C191 C227 1.43(4) . ?
C193 C241 1.44(3) . ?
C194 C225 1.53(3) . ?
C195 C208 1.37(3) . ?
C197 C212 1.48(4) . ?
C197 C234 1.57(4) . ?
C198 C227 1.64(4) . ?
C199 C237 1.53(3) . ?
C199 C238 1.56(3) . ?
C201 C202 1.37(3) . ?
C210 C247 1.51(5) . ?
C211 C243 1.482(10) . ?
C212 C248 1.54(4) . ?
C213 C225 1.50(3) . ?
C214 C215 1.45(3) . ?
C215 C224 1.53(3) . ?
C216 C231 1.35(4) . ?
C216 C257 1.51(4) . ?
C217 C231 1.36(3) . ?
C217 C233 1.45(3) . ?
C217 B08G 1.58(3) . ?
C218 C235 1.37(4) . ?
C219 C220 1.39(3) . ?
C221 C234 1.61(4) . ?
C221 C246 1.47(3) . ?
C222 C242 1.489(10) . ?
C223 C260 1.39(4) . ?
C226 C263 1.51(5) . ?
C228 C242 1.482(10) . ?
C228 C243 1.484(10) . ?
C230 C255 1.50(4) . ?
C233 C265 1.37(4) . ?
C236 C270 1.482(7) . ?
C237 C255 1.47(3) . ?
C239 C260 1.41(4) . ?
C240 C261 1.59(3) . ?
C241 C244 1.65(3) . ?
C241 C258 1.64(3) . ?
C242 C267 1.491(10) . ?
C243 C266 1.484(10) . ?
C244 C261 1.485(10) . ?
C245 C247 1.46(5) . ?
C245 C256 1.54(5) . ?
C246 C248 1.43(4) . ?
C247 C264 1.64(5) . ?
C249 C250 1.3900 . ?
C249 C254 1.3900 . ?
C250 C251 1.3900 . ?
C251 C252 1.3900 . ?
C252 C253 1.3900 . ?
C253 C254 1.3900 . ?
C256 C262 1.44(4) . ?
C257 C265 1.46(4) . ?
C258 C259 1.484(10) . ?
C259 C285 1.487(10) . ?
C261 C285 1.487(10) . ?
C262 C263 1.50(5) . ?
C263 C264 1.49(5) . ?
C266 C270 1.478(10) . ?
C267 C270 1.487(10) . ?
Cl1 C268 1.71(3) . ?
Cl0A C268 1.73(3) . ?
C271 C272 1.3900 . ?
C271 C276 1.3900 . ?
C272 C273 1.3900 . ?
C273 C274 1.3900 . ?
C273 C283 1.45(2) . ?
C274 C275 1.3900 . ?
C275 C276 1.3900 . ?
C277 C278 1.3900 . ?
C277 C282 1.3900 . ?
C277 C284 1.60(2) . ?
C278 C279 1.3900 . ?
C279 C280 1.3900 . ?
C280 C281 1.3900 . ?
C281 C282 1.3900 . ?

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
Ag2 Ag1 Ag8 62.14(4) . . ?
Ag2 Ag1 Ag11 106.41(5) . . ?
Ag2 Ag1 Ag13 55.53(4) . . ?
Ag2 Ag1 Ag17 130.20(5) . . ?
Ag7 Ag1 Ag2 107.81(5) . . ?
Ag7 Ag1 Ag8 107.72(5) . . ?
Ag7 Ag1 Ag11 59.32(4) . . ?
Ag7 Ag1 Ag13 159.49(5) . . ?
Ag7 Ag1 Ag17 103.42(5) . . ?
Ag8 Ag1 Ag11 58.01(4) . . ?
Ag8 Ag1 Ag13 55.49(4) . . ?
Ag8 Ag1 Ag17 71.97(4) . . ?
Ag10 Ag1 Ag2 59.48(4) . . ?
Ag10 Ag1 Ag7 60.22(4) . . ?
Ag10 Ag1 Ag8 109.39(5) . . ?
Ag10 Ag1 Ag11 106.41(4) . . ?
Ag10 Ag1 Ag13 111.22(5) . . ?
Ag10 Ag1 Ag17 163.50(5) . . ?
Ag11 Ag1 Ag13 110.74(4) . . ?
Ag17 Ag1 Ag11 59.66(4) . . ?
Ag17 Ag1 Ag13 83.43(4) . . ?
S0R Ag1 Ag2 117.65(10) . . ?
S0R Ag1 Ag7 133.96(10) . . ?
S0R Ag1 Ag8 99.71(10) . . ?
S0R Ag1 Ag10 140.94(10) . . ?
S0R Ag1 Ag11 111.01(10) . . ?
S0R Ag1 Ag13 65.20(10) . . ?
S0R Ag1 Ag17 51.38(10) . . ?
S0R Ag1 Au1 157.40(10) . . ?
Au1 Ag1 Ag2 57.41(3) . . ?
Au1 Ag1 Ag7 59.52(3) . . ?
Au1 Ag1 Ag8 57.91(3) . . ?
Au1 Ag1 Ag10 58.89(3) . . ?
Au1 Ag1 Ag11 56.43(3) . . ?
Au1 Ag1 Ag13 99.97(4) . . ?
Au1 Ag1 Ag17 112.49(5) . . ?
Ag1 Ag2 Ag8 59.24(4) . . ?
Ag1 Ag2 Ag13 69.72(4) . . ?
Ag3 Ag2 Ag1 108.11(5) . . ?
Ag3 Ag2 Ag8 58.10(4) . . ?
Ag3 Ag2 Ag13 103.58(5) . . ?
Ag4 Ag2 Ag1 111.01(5) . . ?
Ag4 Ag2 Ag3 60.63(4) . . ?
Ag4 Ag2 Ag8 106.65(5) . . ?
Ag4 Ag2 Ag13 164.00(5) . . ?
Ag10 Ag2 Ag1 58.90(4) . . ?
Ag10 Ag2 Ag3 112.40(5) . . ?
Ag10 Ag2 Ag4 65.28(4) . . ?
Ag10 Ag2 Ag8 106.62(5) . . ?
Ag10 Ag2 Ag13 123.73(5) . . ?
Ag13 Ag2 Ag8 59.25(4) . . ?
S0S Ag2 Ag1 92.02(11) . . ?
S0S Ag2 Ag3 140.53(11) . . ?
S0S Ag2 Ag4 142.52(11) . . ?
S0S Ag2 Ag8 110.56(11) . . ?
S0S Ag2 Ag10 107.08(11) . . ?
S0S Ag2 Ag13 51.44(10) . . ?
S0S Ag2 Au1 150.83(11) . . ?
Au1 Ag2 Ag1 58.82(3) . . ?
Au1 Ag2 Ag3 59.82(3) . . ?
Au1 Ag2 Ag4 59.34(3) . . ?
Au1 Ag2 Ag8 57.27(3) . . ?
Au1 Ag2 Ag10 59.15(3) . . ?
Au1 Ag2 Ag13 111.88(5) . . ?
Ag2 Ag3 Ag4 59.67(4) . . ?
Ag2 Ag3 Ag6 104.77(5) . . ?
Ag2 Ag3 Ag18 162.06(5) . . ?
Ag4 Ag3 Ag6 57.21(4) . . ?
Ag4 Ag3 Ag18 102.39(5) . . ?
Ag8 Ag3 Ag2 63.64(4) . . ?
Ag8 Ag3 Ag4 110.26(5) . . ?
Ag8 Ag3 Ag6 106.13(5) . . ?
Ag8 Ag3 Ag18 128.97(5) . . ?
Ag9 Ag3 Ag2 109.89(5) . . ?
Ag9 Ag3 Ag4 106.86(5) . . ?
Ag9 Ag3 Ag6 58.92(4) . . ?
Ag9 Ag3 Ag8 59.84(4) . . ?
Ag9 Ag3 Ag18 73.93(4) . . ?
Ag18 Ag3 Ag6 61.39(4) . . ?
S0V Ag3 Ag2 141.23(11) . . ?
S0V Ag3 Ag4 136.47(11) . . ?
S0V Ag3 Ag6 112.60(10) . . ?
S0V Ag3 Ag8 113.06(10) . . ?
S0V Ag3 Ag9 98.19(11) . . ?
S0V Ag3 Ag18 51.24(10) . . ?
S0V Ag3 Au1 157.07(11) . . ?
Au1 Ag3 Ag2 57.84(3) . . ?
Au1 Ag3 Ag4 58.38(3) . . ?
Au1 Ag3 Ag6 56.56(3) . . ?
Au1 Ag3 Ag8 58.63(3) . . ?
Au1 Ag3 Ag9 58.92(3) . . ?
Au1 Ag3 Ag18 114.78(5) . . ?
Ag2 Ag4 Ag3 59.70(4) . . ?
Ag2 Ag4 Ag5 105.95(5) . . ?
Ag2 Ag4 Ag10 57.21(4) . . ?
Ag2 Ag4 Ag20 101.81(5) . . ?
Ag3 Ag4 Ag5 110.73(5) . . ?
Ag3 Ag4 Ag10 105.31(4) . . ?
Ag3 Ag4 Ag20 161.39(5) . . ?
Ag5 Ag4 Ag10 57.91(4) . . ?
Ag5 Ag4 Ag20 70.36(4) . . ?
Ag6 Ag4 Ag2 109.88(5) . . ?
Ag6 Ag4 Ag3 63.69(4) . . ?
Ag6 Ag4 Ag5 60.90(4) . . ?
Ag6 Ag4 Ag10 106.27(5) . . ?
Ag6 Ag4 Ag20 127.09(5) . . ?
Ag20 Ag4 Ag10 58.68(4) . . ?
S0U Ag4 Ag2 138.00(12) . . ?
S0U Ag4 Ag3 142.66(12) . . ?
S0U Ag4 Ag5 95.80(12) . . ?
S0U Ag4 Ag6 112.08(12) . . ?
S0U Ag4 Ag10 111.05(11) . . ?
S0U Ag4 Ag20 52.40(11) . . ?
S0U Ag4 Au1 154.06(12) . . ?
Au1 Ag4 Ag2 58.07(3) . . ?
Au1 Ag4 Ag3 59.08(3) . . ?
Au1 Ag4 Ag5 58.31(3) . . ?
Au1 Ag4 Ag6 59.02(3) . . ?
Au1 Ag4 Ag10 55.95(3) . . ?
Au1 Ag4 Ag20 110.92(5) . . ?
Ag4 Ag5 Ag6 58.44(4) . . ?
Ag4 Ag5 Ag7 108.57(4) . . ?
Ag4 Ag5 Ag10 64.26(4) . . ?
Ag4 Ag5 Ag16 131.05(5) . . ?
Ag6 Ag5 Ag7 107.11(5) . . ?
Ag6 Ag5 Ag16 163.94(6) . . ?
Ag10 Ag5 Ag6 109.32(5) . . ?
Ag10 Ag5 Ag7 57.43(4) . . ?
Ag10 Ag5 Ag16 71.40(4) . . ?
Ag12 Ag5 Ag4 107.66(5) . . ?
Ag12 Ag5 Ag6 60.37(4) . . ?
Ag12 Ag5 Ag7 59.22(4) . . ?
Ag12 Ag5 Ag10 106.50(5) . . ?
Ag12 Ag5 Ag16 103.73(5) . . ?
Ag16 Ag5 Ag7 59.08(4) . . ?
S0W Ag5 Ag4 118.30(11) . . ?
S0W Ag5 Ag6 141.36(11) . . ?
S0W Ag5 Ag7 109.60(10) . . ?
S0W Ag5 Ag10 100.33(10) . . ?
S0W Ag5 Ag12 133.34(11) . . ?
S0W Ag5 Ag16 50.62(10) . . ?
S0W Ag5 Au1 158.27(11) . . ?
Au1 Ag5 Ag4 58.61(3) . . ?
Au1 Ag5 Ag6 58.24(3) . . ?
Au1 Ag5 Ag7 57.42(3) . . ?
Au1 Ag5 Ag10 58.28(3) . . ?
Au1 Ag5 Ag12 58.46(3) . . ?
Au1 Ag5 Ag16 112.95(5) . . ?
Ag3 Ag6 Ag18 58.41(4) . . ?
Ag4 Ag6 Ag3 59.10(4) . . ?
Ag4 Ag6 Ag5 60.66(4) . . ?
Ag4 Ag6 Ag9 107.29(5) . . ?
Ag4 Ag6 Ag12 108.39(5) . . ?
Ag4 Ag6 Ag18 101.55(5) . . ?
Ag5 Ag6 Ag3 106.98(5) . . ?
Ag5 Ag6 Ag18 162.15(5) . . ?
Ag9 Ag6 Ag3 57.54(4) . . ?
Ag9 Ag6 Ag5 110.24(5) . . ?
Ag9 Ag6 Ag12 64.21(4) . . ?
Ag9 Ag6 Ag18 71.98(4) . . ?
Ag12 Ag6 Ag3 108.15(5) . . ?
Ag12 Ag6 Ag5 59.06(4) . . ?
Ag12 Ag6 Ag18 132.31(5) . . ?
S10 Ag6 Ag3 108.78(10) . . ?
S10 Ag6 Ag4 133.51(11) . . ?
S10 Ag6 Ag5 142.59(10) . . ?
S10 Ag6 Ag9 98.01(10) . . ?
S10 Ag6 Ag12 117.70(11) . . ?
S10 Ag6 Ag18 50.36(10) . . ?
S10 Ag6 Au1 156.52(10) . . ?
Au1 Ag6 Ag3 57.60(3) . . ?
Au1 Ag6 Ag4 59.44(3) . . ?
Au1 Ag6 Ag5 58.35(3) . . ?
Au1 Ag6 Ag9 58.77(3) . . ?
Au1 Ag6 Ag12 58.03(4) . . ?
Au1 Ag6 Ag18 112.96(4) . . ?
Ag1 Ag7 Ag5 106.37(5) . . ?
Ag1 Ag7 Ag10 59.64(4) . . ?
Ag1 Ag7 Ag11 63.12(4) . . ?
Ag1 Ag7 Ag12 109.44(5) . . ?
Ag1 Ag7 Ag16 127.53(5) . . ?
Ag10 Ag7 Ag5 58.95(4) . . ?
Ag10 Ag7 Ag11 108.92(5) . . ?
Ag10 Ag7 Ag12 106.29(5) . . ?
Ag10 Ag7 Ag16 72.46(4) . . ?
Ag11 Ag7 Ag5 104.76(5) . . ?
Ag11 Ag7 Ag12 59.16(4) . . ?
Ag11 Ag7 Ag16 162.15(6) . . ?
Ag12 Ag7 Ag5 57.45(4) . . ?
Ag12 Ag7 Ag16 103.09(5) . . ?
Ag16 Ag7 Ag5 60.00(4) . . ?
S0Y Ag7 Ag1 111.20(11) . . ?
S0Y Ag7 Ag5 110.79(11) . . ?
S0Y Ag7 Ag10 95.17(12) . . ?
S0Y Ag7 Ag11 143.83(11) . . ?
S0Y Ag7 Ag12 139.33(12) . . ?
S0Y Ag7 Ag16 50.89(10) . . ?
S0Y Ag7 Au1 153.65(12) . . ?
Au1 Ag7 Ag1 58.97(3) . . ?
Au1 Ag7 Ag5 56.47(3) . . ?
Au1 Ag7 Ag10 58.52(3) . . ?
Au1 Ag7 Ag11 57.56(3) . . ?
Au1 Ag7 Ag12 57.49(3) . . ?
Au1 Ag7 Ag16 112.93(5) . . ?
Ag1 Ag8 Ag2 58.63(4) . . ?
Ag1 Ag8 Ag13 69.41(4) . . ?
Ag3 Ag8 Ag1 107.73(5) . . ?
Ag3 Ag8 Ag2 58.26(4) . . ?
Ag3 Ag8 Ag11 108.75(5) . . ?
Ag3 Ag8 Ag13 103.59(5) . . ?
Ag9 Ag8 Ag1 110.48(5) . . ?
Ag9 Ag8 Ag2 105.70(5) . . ?
Ag9 Ag8 Ag3 59.86(4) . . ?
Ag9 Ag8 Ag11 60.91(4) . . ?
Ag9 Ag8 Ag13 163.08(5) . . ?
Ag11 Ag8 Ag1 62.39(4) . . ?
Ag11 Ag8 Ag2 107.07(4) . . ?
Ag11 Ag8 Ag13 127.85(5) . . ?
Ag13 Ag8 Ag2 59.10(4) . . ?
S0T Ag8 Ag1 97.37(10) . . ?
S0T Ag8 Ag2 110.40(10) . . ?
S0T Ag8 Ag3 134.93(10) . . ?
S0T Ag8 Ag9 142.34(10) . . ?
S0T Ag8 Ag11 116.03(10) . . ?
S0T Ag8 Ag13 51.37(10) . . ?
S0T Ag8 Au1 155.44(10) . . ?
Au1 Ag8 Ag1 58.26(3) . . ?
Au1 Ag8 Ag2 56.27(3) . . ?
Au1 Ag8 Ag3 59.53(3) . . ?
Au1 Ag8 Ag9 59.22(3) . . ?
Au1 Ag8 Ag11 58.09(3) . . ?
Au1 Ag8 Ag13 110.84(4) . . ?
Ag3 Ag9 Ag6 63.54(4) . . ?
Ag3 Ag9 Ag11 108.53(5) . . ?
Ag3 Ag9 Ag12 108.02(5) . . ?
Ag3 Ag9 Ag21 132.01(6) . . ?
Ag6 Ag9 Ag11 106.04(5) . . ?
Ag6 Ag9 Ag12 58.06(4) . . ?
Ag6 Ag9 Ag21 72.97(4) . . ?
Ag8 Ag9 Ag3 60.30(4) . . ?
Ag8 Ag9 Ag6 110.09(5) . . ?
Ag8 Ag9 Ag11 60.20(4) . . ?
Ag8 Ag9 Ag12 105.62(5) . . ?
Ag8 Ag9 Ag21 162.08(6) . . ?
Ag11 Ag9 Ag12 57.34(4) . . ?
Ag11 Ag9 Ag21 101.88(5) . . ?
Ag21 Ag9 Ag12 60.18(4) . . ?
S11 Ag9 Ag3 113.80(11) . . ?
S11 Ag9 Ag6 98.20(10) . . ?
S11 Ag9 Ag8 140.58(11) . . ?
S11 Ag9 Ag11 137.20(11) . . ?
S11 Ag9 Ag12 112.62(11) . . ?
S11 Ag9 Ag21 52.47(11) . . ?
S11 Ag9 Au1 156.48(10) . . ?
Au1 Ag9 Ag3 59.61(3) . . ?
Au1 Ag9 Ag6 58.33(3) . . ?
Au1 Ag9 Ag8 59.01(3) . . ?
Au1 Ag9 Ag11 57.78(3) . . ?
Au1 Ag9 Ag12 55.75(3) . . ?
Au1 Ag9 Ag21 112.87(5) . . ?
Ag1 Ag10 Ag2 61.62(4) . . ?
Ag1 Ag10 Ag4 107.02(4) . . ?
Ag1 Ag10 Ag5 110.43(5) . . ?
Ag1 Ag10 Ag7 60.14(4) . . ?
Ag1 Ag10 Ag20 163.22(6) . . ?
Ag2 Ag10 Ag4 57.51(4) . . ?
Ag2 Ag10 Ag5 106.13(5) . . ?
Ag2 Ag10 Ag20 101.78(5) . . ?
Ag5 Ag10 Ag4 57.83(4) . . ?
Ag5 Ag10 Ag20 70.18(4) . . ?
Ag7 Ag10 Ag2 109.45(5) . . ?
Ag7 Ag10 Ag4 108.38(5) . . ?
Ag7 Ag10 Ag5 63.62(4) . . ?
Ag7 Ag10 Ag20 129.47(5) . . ?
Ag20 Ag10 Ag4 58.35(4) . . ?
S0X Ag10 Ag1 140.34(11) . . ?
S0X Ag10 Ag2 134.35(10) . . ?
S0X Ag10 Ag4 110.97(10) . . ?
S0X Ag10 Ag5 99.21(10) . . ?
S0X Ag10 Ag7 115.76(10) . . ?
S0X Ag10 Ag20 52.67(10) . . ?
S0X Ag10 Au1 157.40(10) . . ?
Au1 Ag10 Ag1 59.52(3) . . ?
Au1 Ag10 Ag2 58.33(3) . . ?
Au1 Ag10 Ag4 56.35(3) . . ?
Au1 Ag10 Ag5 58.41(3) . . ?
Au1 Ag10 Ag7 59.69(4) . . ?
Au1 Ag10 Ag20 110.98(5) . . ?
Ag7 Ag11 Ag1 57.56(4) . . ?
Ag7 Ag11 Ag17 101.53(5) . . ?
Ag8 Ag11 Ag1 59.60(4) . . ?
Ag8 Ag11 Ag7 107.58(5) . . ?
Ag8 Ag11 Ag9 58.89(4) . . ?
Ag8 Ag11 Ag17 72.32(4) . . ?
Ag9 Ag11 Ag1 106.69(5) . . ?
Ag9 Ag11 Ag7 111.49(5) . . ?
Ag9 Ag11 Ag17 126.92(5) . . ?
Ag12 Ag11 Ag1 106.19(5) . . ?
Ag12 Ag11 Ag7 60.61(4) . . ?
Ag12 Ag11 Ag8 110.12(5) . . ?
Ag12 Ag11 Ag9 64.33(4) . . ?
Ag12 Ag11 Ag17 162.09(5) . . ?
Ag17 Ag11 Ag1 58.91(4) . . ?
S00Q Ag11 Ag1 109.96(10) . . ?
S00Q Ag11 Ag7 136.92(11) . . ?
S00Q Ag11 Ag8 95.36(10) . . ?
S00Q Ag11 Ag9 111.57(11) . . ?
S00Q Ag11 Ag12 142.89(11) . . ?
S00Q Ag11 Ag17 51.10(10) . . ?
S00Q Ag11 Au1 154.15(10) . . ?
Au1 Ag11 Ag1 57.49(3) . . ?
Au1 Ag11 Ag7 59.21(3) . . ?
Au1 Ag11 Ag8 58.85(3) . . ?
Au1 Ag11 Ag9 58.74(3) . . ?
Au1 Ag11 Ag12 58.51(3) . . ?
Au1 Ag11 Ag17 112.78(5) . . ?
Ag5 Ag12 Ag6 60.56(4) . . ?
Ag5 Ag12 Ag7 63.33(4) . . ?
Ag5 Ag12 Ag9 106.31(5) . . ?
Ag5 Ag12 Ag11 110.24(5) . . ?
Ag5 Ag12 Ag21 128.33(6) . . ?
Ag6 Ag12 Ag7 110.47(5) . . ?
Ag6 Ag12 Ag9 57.74(4) . . ?
Ag6 Ag12 Ag21 71.45(5) . . ?
Ag7 Ag12 Ag9 106.50(5) . . ?
Ag7 Ag12 Ag21 160.50(5) . . ?
Ag11 Ag12 Ag6 106.59(5) . . ?
Ag11 Ag12 Ag7 60.23(4) . . ?
Ag11 Ag12 Ag9 58.33(4) . . ?
Ag11 Ag12 Ag21 100.35(5) . . ?
Ag21 Ag12 Ag9 57.18(4) . . ?
S13 Ag12 Ag5 115.35(12) . . ?
S13 Ag12 Ag6 96.91(14) . . ?
S13 Ag12 Ag7 143.69(14) . . ?
S13 Ag12 Ag9 108.21(13) . . ?
S13 Ag12 Ag11 134.39(12) . . ?
S13 Ag12 Ag21 51.04(12) . . ?
S13 Ag12 Au1 154.96(14) . . ?
Au1 Ag12 Ag5 59.03(3) . . ?
Au1 Ag12 Ag6 58.48(3) . . ?
Au1 Ag12 Ag7 59.05(3) . . ?
Au1 Ag12 Ag9 56.57(3) . . ?
Au1 Ag12 Ag11 58.43(3) . . ?
Au1 Ag12 Ag21 110.80(5) . . ?
Ag2 Ag13 Ag1 54.75(4) . . ?
Ag2 Ag13 Ag8 61.65(4) . . ?
Ag2 Ag13 Ag14 143.94(5) . . ?
Ag8 Ag13 Ag1 55.10(3) . . ?
Ag8 Ag13 Ag14 97.40(5) . . ?
Ag14 Ag13 Ag1 89.30(4) . . ?
S0S Ag13 Ag1 82.73(10) . . ?
S0S Ag13 Ag2 52.76(10) . . ?
S0S Ag13 Ag8 114.28(10) . . ?
S0S Ag13 Ag14 133.42(11) . . ?
S0S Ag13 S0T 168.49(14) . . ?
S0T Ag13 Ag1 88.97(10) . . ?
S0T Ag13 Ag2 115.79(10) . . ?
S0T Ag13 Ag8 54.22(9) . . ?
S0T Ag13 Ag14 54.00(10) . . ?
Ag13 Ag14 Ag17 79.05(4) . . ?
S0R Ag14 Ag13 64.37(9) . . ?
S0R Ag14 Ag17 45.17(9) . . ?
S0T Ag14 Ag13 46.03(9) . . ?
S0T Ag14 Ag17 64.72(8) . . ?
S0T Ag14 S0R 85.87(12) . . ?
P0Z Ag14 Ag13 150.47(11) . . ?
P0Z Ag14 Ag17 91.51(11) . . ?
P0Z Ag14 S0R 126.08(14) . . ?
P0Z Ag14 S0T 104.64(14) . . ?
P0Z Ag14 P16 109.31(14) . . ?
P16 Ag14 Ag13 93.37(11) . . ?
P16 Ag14 Ag17 145.27(11) . . ?
P16 Ag14 S0R 100.94(14) . . ?
P16 Ag14 S0T 130.99(14) . . ?
Ag20 Ag15 Ag16 80.21(4) . . ?
S0W Ag15 Ag16 44.98(9) . . ?
S0W Ag15 Ag20 64.70(8) . . ?
S0X Ag15 Ag16 65.30(9) . . ?
S0X Ag15 Ag20 47.61(9) . . ?
S0X Ag15 S0W 86.56(12) . . ?
P12 Ag15 Ag16 91.34(10) . . ?
P12 Ag15 Ag20 149.27(10) . . ?
P12 Ag15 S0W 126.97(13) . . ?
P12 Ag15 S0X 102.02(13) . . ?
P14 Ag15 Ag16 142.51(12) . . ?
P14 Ag15 Ag20 92.70(10) . . ?
P14 Ag15 S0W 98.71(14) . . ?
P14 Ag15 S0X 132.94(14) . . ?
P14 Ag15 P12 110.93(14) . . ?
Ag5 Ag16 Ag15 96.40(5) . . ?
Ag7 Ag16 Ag5 60.92(4) . . ?
Ag7 Ag16 Ag15 137.97(5) . . ?
S0W Ag16 Ag5 53.61(9) . . ?
S0W Ag16 Ag7 114.42(10) . . ?
S0W Ag16 Ag15 57.81(10) . . ?
S0Y Ag16 Ag5 114.69(11) . . ?
S0Y Ag16 Ag7 53.88(10) . . ?
S0Y Ag16 Ag15 129.33(12) . . ?
S0Y Ag16 S0W 168.30(14) . . ?
Ag1 Ag17 Ag11 61.44(4) . . ?
Ag1 Ag17 Ag14 95.82(4) . . ?
Ag11 Ag17 Ag14 140.12(5) . . ?
S00Q Ag17 Ag1 114.48(11) . . ?
S00Q Ag17 Ag11 53.10(10) . . ?
S00Q Ag17 Ag14 132.84(10) . . ?
S00Q Ag17 S0R 168.81(14) . . ?
S0R Ag17 Ag1 54.33(9) . . ?
S0R Ag17 Ag11 115.74(10) . . ?
S0R Ag17 Ag14 53.94(9) . . ?
Ag3 Ag18 Ag6 60.20(4) . . ?
Ag3 Ag18 Ag19 141.52(6) . . ?
Ag6 Ag18 Ag19 98.02(5) . . ?
S0V Ag18 Ag3 53.52(10) . . ?
S0V Ag18 Ag6 113.68(11) . . ?
S0V Ag18 Ag19 132.84(11) . . ?
S0V Ag18 S10 165.56(15) . . ?
S10 Ag18 Ag3 112.18(11) . . ?
S10 Ag18 Ag6 51.98(10) . . ?
S10 Ag18 Ag19 55.73(10) . . ?
S10 Ag19 Ag18 47.82(9) . . ?
S10 Ag19 S11 83.10(12) . . ?
S11 Ag19 Ag18 65.96(10) . . ?
P15 Ag19 Ag18 88.50(10) . . ?
P15 Ag19 S10 128.94(14) . . ?
P15 Ag19 S11 104.10(14) . . ?
P17 Ag19 Ag18 150.67(13) . . ?
P17 Ag19 S10 103.69(15) . . ?
P17 Ag19 S11 124.98(15) . . ?
P17 Ag19 P15 111.53(15) . . ?
Ag4 Ag20 Ag10 62.96(4) . . ?
Ag4 Ag20 Ag15 144.42(6) . . ?
Ag10 Ag20 Ag15 95.23(5) . . ?
S0U Ag20 Ag4 52.86(10) . . ?
S0U Ag20 Ag10 115.79(11) . . ?
S0U Ag20 Ag15 136.55(12) . . ?
S0U Ag20 S0X 168.97(14) . . ?
S0X Ag20 Ag4 116.12(10) . . ?
S0X Ag20 Ag10 53.22(9) . . ?
S0X Ag20 Ag15 51.82(9) . . ?
Ag9 Ag21 Ag12 62.64(4) . . ?
S11 Ag21 Ag9 54.91(10) . . ?
S11 Ag21 Ag12 117.50(11) . . ?
S13 Ag21 Ag9 114.59(12) . . ?
S13 Ag21 Ag12 51.96(11) . . ?
S13 Ag21 S11 169.06(16) . . ?
C8 Fe0N C128 42.3(7) . . ?
C8 Fe0N C129 67.8(7) . . ?
C8 Fe0N C140 109.9(7) . . ?
C8 Fe0N C152 169.2(7) . . ?
C8 Fe0N C164 67.6(8) . . ?
C8 Fe0N C195 148.4(8) . . ?
C44 Fe0N C8 132.7(7) . . ?
C44 Fe0N C84 110.3(7) . . ?
C44 Fe0N C128 172.6(7) . . ?
C44 Fe0N C129 118.1(7) . . ?
C44 Fe0N C140 41.0(7) . . ?
C44 Fe0N C152 39.3(7) . . ?
C44 Fe0N C164 147.1(8) . . ?
C44 Fe0N C195 66.9(8) . . ?
C44 Fe0N C208 66.7(8) . . ?
C84 Fe0N C8 39.9(7) . . ?
C84 Fe0N C128 69.2(7) . . ?
C84 Fe0N C129 41.9(7) . . ?
C84 Fe0N C140 117.3(7) . . ?
C84 Fe0N C152 130.6(7) . . ?
C84 Fe0N C164 66.9(8) . . ?
C84 Fe0N C195 170.7(7) . . ?
C84 Fe0N C208 149.1(7) . . ?
C128 Fe0N C129 66.8(7) . . ?
C128 Fe0N C152 146.5(7) . . ?
C128 Fe0N C164 40.0(8) . . ?
C128 Fe0N C195 114.8(8) . . ?
C140 Fe0N C128 132.1(7) . . ?
C140 Fe0N C129 151.1(7) . . ?
C140 Fe0N C152 68.5(7) . . ?
C140 Fe0N C164 170.8(8) . . ?
C140 Fe0N C195 66.9(8) . . ?
C152 Fe0N C129 108.1(7) . . ?
C152 Fe0N C164 115.7(8) . . ?
C164 Fe0N C129 37.3(8) . . ?
C195 Fe0N C129 130.6(7) . . ?
C195 Fe0N C152 41.7(8) . . ?
C195 Fe0N C164 110.2(9) . . ?
C208 Fe0N C8 118.0(7) . . ?
C208 Fe0N C128 109.6(8) . . ?
C208 Fe0N C129 167.9(7) . . ?
C208 Fe0N C140 39.5(7) . . ?
C208 Fe0N C152 68.0(8) . . ?
C208 Fe0N C164 132.9(8) . . ?
C208 Fe0N C195 39.1(8) . . ?
C3 Fe00 C104 134.3(8) . . ?
C3 Fe00 C118 68.4(9) . . ?
C3 Fe00 C124 69.1(8) . . ?
C3 Fe00 C183 147.7(8) . . ?
C3 Fe00 C190 172.8(8) . . ?
C19 Fe00 C3 40.4(8) . . ?
C19 Fe00 C104 110.4(8) . . ?
C19 Fe00 C118 68.5(9) . . ?
C19 Fe00 C124 42.0(8) . . ?
C19 Fe00 C127 68.7(9) . . ?
C19 Fe00 C160 117.2(8) . . ?
C19 Fe00 C162 148.7(8) . . ?
C19 Fe00 C183 169.5(9) . . ?
C19 Fe00 C190 133.3(8) . . ?
C104 Fe00 C118 145.6(8) . . ?
C104 Fe00 C183 68.1(8) . . ?
C104 Fe00 C190 39.9(7) . . ?
C124 Fe00 C104 115.5(8) . . ?
C124 Fe00 C118 39.8(9) . . ?
C124 Fe00 C183 128.3(9) . . ?
C124 Fe00 C190 108.3(8) . . ?
C127 Fe00 C3 41.2(9) . . ?
C127 Fe00 C104 173.8(9) . . ?
C127 Fe00 C118 40.4(9) . . ?
C127 Fe00 C124 68.3(9) . . ?
C127 Fe00 C160 132.0(9) . . ?
C127 Fe00 C183 113.9(10) . . ?
C127 Fe00 C190 145.0(9) . . ?
C160 Fe00 C3 110.0(8) . . ?
C160 Fe00 C104 42.4(7) . . ?
C160 Fe00 C118 170.0(9) . . ?
C160 Fe00 C124 149.8(8) . . ?
C160 Fe00 C183 69.3(8) . . ?
C160 Fe00 C190 68.6(7) . . ?
C162 Fe00 C3 115.4(8) . . ?
C162 Fe00 C104 71.0(8) . . ?
C162 Fe00 C118 128.7(9) . . ?
C162 Fe00 C124 167.0(9) . . ?
C162 Fe00 C127 106.4(9) . . ?
C162 Fe00 C160 42.2(8) . . ?
C162 Fe00 C183 41.6(8) . . ?
C162 Fe00 C190 68.7(8) . . ?
C183 Fe00 C118 106.4(10) . . ?
C183 Fe00 C190 39.2(8) . . ?
C190 Fe00 C118 114.3(9) . . ?
C142 Fe1 C150 149.5(8) . . ?
C142 Fe1 C163 39.4(8) . . ?
C142 Fe1 C171 119.4(8) . . ?
C142 Fe1 C180 169.2(9) . . ?
C142 Fe1 C186 66.4(8) . . ?
C142 Fe1 C218 132.3(10) . . ?
C142 Fe1 C235 112.0(10) . . ?
C158 Fe1 C142 39.8(8) . . ?
C158 Fe1 C150 116.8(9) . . ?
C158 Fe1 C163 67.3(9) . . ?
C158 Fe1 C171 113.5(8) . . ?
C158 Fe1 C180 147.9(9) . . ?
C158 Fe1 C185 41.2(8) . . ?
C158 Fe1 C186 66.7(9) . . ?
C158 Fe1 C218 171.8(10) . . ?
C158 Fe1 C235 136.3(9) . . ?
C163 Fe1 C150 169.6(8) . . ?
C171 Fe1 C150 41.5(8) . . ?
C171 Fe1 C163 147.5(8) . . ?
C171 Fe1 C180 67.5(8) . . ?
C171 Fe1 C186 171.9(8) . . ?
C171 Fe1 C218 66.9(10) . . ?
C171 Fe1 C235 40.8(9) . . ?
C180 Fe1 C150 41.2(8) . . ?
C180 Fe1 C163 130.2(9) . . ?
C185 Fe1 C142 67.9(8) . . ?
C185 Fe1 C150 108.0(9) . . ?
C185 Fe1 C163 68.3(9) . . ?
C185 Fe1 C171 135.4(8) . . ?
C185 Fe1 C180 113.8(9) . . ?
C185 Fe1 C186 39.4(8) . . ?
C185 Fe1 C218 144.3(9) . . ?
C185 Fe1 C235 176.0(10) . . ?
C186 Fe1 C150 130.6(8) . . ?
C186 Fe1 C163 40.6(8) . . ?
C186 Fe1 C180 107.7(9) . . ?
C186 Fe1 C218 114.2(10) . . ?
C186 Fe1 C235 144.5(10) . . ?
C218 Fe1 C150 69.3(10) . . ?
C218 Fe1 C163 107.6(10) . . ?
C218 Fe1 C180 40.3(10) . . ?
C235 Fe1 C150 69.9(9) . . ?
C235 Fe1 C163 114.4(10) . . ?
C235 Fe1 C180 67.0(10) . . ?
C235 Fe1 C218 38.7(10) . . ?
Ag17 S00Q Ag11 75.80(12) . . ?
C1 S00Q Ag11 114.1(6) . . ?
C1 S00Q Ag17 104.5(5) . . ?
Ag1 S0R Ag14 126.93(16) . . ?
Ag17 S0R Ag1 74.29(11) . . ?
Ag17 S0R Ag14 80.89(12) . . ?
C57 S0R Ag1 105.5(5) . . ?
C57 S0R Ag14 127.3(5) . . ?
C57 S0R Ag17 112.1(5) . . ?
Ag13 S0S Ag2 75.80(12) . . ?
C76 S0S Ag2 114.0(6) . . ?
C76 S0S Ag13 104.0(6) . . ?
Ag8 S0T Ag14 129.51(15) . . ?
Ag13 S0T Ag8 74.42(11) . . ?
Ag13 S0T Ag14 79.97(12) . . ?
C17 S0T Ag8 105.7(5) . . ?
C17 S0T Ag13 110.4(5) . . ?
C17 S0T Ag14 123.9(5) . . ?
Ag20 S0U Ag4 74.74(12) . . ?
C45 S0U Ag4 115.4(7) . . ?
C45 S0U Ag20 106.2(6) . . ?
Ag18 S0V Ag3 75.24(11) . . ?
C7 S0V Ag3 111.5(5) . . ?
C7 S0V Ag18 107.5(6) . . ?
Ag5 S0W Ag15 122.61(15) . . ?
Ag16 S0W Ag5 75.77(11) . . ?
Ag16 S0W Ag15 77.20(12) . . ?
C54 S0W Ag5 103.6(6) . . ?
C54 S0W Ag15 133.1(6) . . ?
C54 S0W Ag16 109.6(6) . . ?
Ag10 S0X Ag15 130.55(16) . . ?
Ag20 S0X Ag10 74.11(11) . . ?
Ag20 S0X Ag15 80.56(12) . . ?
C15 S0X Ag10 108.5(5) . . ?
C15 S0X Ag15 119.9(5) . . ?
C15 S0X Ag20 109.6(5) . . ?
Ag16 S0Y Ag7 75.23(12) . . ?
C159 S0Y Ag7 114.4(5) . . ?
C159 S0Y Ag16 104.2(5) . . ?
C14 P0Z Ag14 118.3(6) . . ?
C14 P0Z C19 103.7(8) . . ?
C14 P0Z C23 103.8(8) . . ?
C19 P0Z Ag14 111.5(7) . . ?
C19 P0Z C23 105.6(8) . . ?
C23 P0Z Ag14 112.8(6) . . ?
Ag6 S10 Ag19 131.27(16) . . ?
Ag18 S10 Ag6 77.66(12) . . ?
Ag18 S10 Ag19 76.46(12) . . ?
C56 S10 Ag6 106.2(5) . . ?
C56 S10 Ag18 109.5(5) . . ?
C56 S10 Ag19 121.1(5) . . ?
Ag9 S11 Ag19 128.61(16) . . ?
Ag21 S11 Ag9 72.62(12) . . ?
Ag21 S11 Ag19 87.21(13) . . ?
C67 S11 Ag9 104.0(6) . . ?
C67 S11 Ag19 127.3(6) . . ?
C67 S11 Ag21 109.3(6) . . ?
C24 P12 Ag15 120.9(5) . . ?
C24 P12 C91 101.9(7) . . ?
C84 P12 Ag15 110.9(5) . . ?
C84 P12 C24 102.3(7) . . ?
C84 P12 C91 105.3(7) . . ?
C91 P12 Ag15 113.9(5) . . ?
Ag21 S13 Ag12 77.00(13) . . ?
C166 S13 Ag12 114.4(7) . . ?
C166 S13 Ag21 108.3(7) . . ?
C25 P14 Ag15 120.2(6) . . ?
C25 P14 C61 99.7(8) . . ?
C61 P14 Ag15 117.3(6) . . ?
C140 P14 Ag15 109.0(6) . . ?
C140 P14 C25 104.3(8) . . ?
C140 P14 C61 104.8(8) . . ?
C16 P15 Ag19 117.6(5) . . ?
C59 P15 Ag19 120.5(6) . . ?
C59 P15 C16 101.3(8) . . ?
C59 P15 C171 101.7(8) . . ?
C171 P15 Ag19 110.0(6) . . ?
C171 P15 C16 103.4(8) . . ?
C75 P16 Ag14 119.0(6) . . ?
C75 P16 C120 104.0(8) . . ?
C120 P16 Ag14 113.7(6) . . ?
C160 P16 Ag14 110.0(6) . . ?
C160 P16 C75 101.6(8) . . ?
C160 P16 C120 107.4(8) . . ?
C51 P17 Ag19 112.5(6) . . ?
C51 P17 C142 108.3(9) . . ?
C51 P17 C251 102.2(7) . . ?
C142 P17 Ag19 108.5(7) . . ?
C251 P17 Ag19 119.6(4) . . ?
C251 P17 C142 105.0(8) . . ?
C43 C1 S00Q 115.0(13) . . ?
C43 C1 C155 107.0(14) . . ?
C92 C1 S00Q 108.8(12) . . ?
C92 C1 C43 109.2(15) . . ?
C92 C1 C155 109.0(15) . . ?
C155 C1 S00Q 107.7(11) . . ?
C56 C2 C126 107.1(15) . . ?
C19 C3 Fe00 68.9(11) . . ?
C19 C3 C127 107.6(18) . . ?
C127 C3 Fe00 69.3(12) . . ?
C125 C4 C24 123.0(18) . . ?
C26 C5 C214 108.5(16) . . ?
C46 C5 C26 111.7(16) . . ?
C46 C5 C214 107.0(16) . . ?
C91 C6 C80 117.8(16) . . ?
C20 C7 S0V 109.7(12) . . ?
C32 C7 S0V 106.5(12) . . ?
C32 C7 C20 109.9(14) . . ?
C269 C7 S0V 110.6(13) . . ?
C269 C7 C20 108.5(15) . . ?
C269 C7 C32 111.6(16) . . ?
C84 C8 Fe0N 69.9(10) . . ?
C84 C8 C128 108.1(15) . . ?
C128 C8 Fe0N 69.5(10) . . ?
C48 C9 C62 109.5(18) . . ?
C74 C10 C14 121.0(17) . . ?
C65 C11 C106 112.5(18) . . ?
C213 C11 C65 109.2(18) . . ?
C213 C11 C106 107.0(19) . . ?
C17 C12 C192 110.6(14) . . ?
C23 C13 C96 124.3(17) . . ?
C10 C14 P0Z 117.7(13) . . ?
C10 C14 C34 119.5(16) . . ?
C34 C14 P0Z 122.8(14) . . ?
C47 C15 S0X 109.5(10) . . ?
C49 C15 S0X 107.7(12) . . ?
C49 C15 C47 109.4(14) . . ?
C82 C15 S0X 108.5(12) . . ?
C82 C15 C47 110.3(15) . . ?
C82 C15 C49 111.5(15) . . ?
C33 C16 P15 116.8(12) . . ?
C64 C16 P15 123.6(14) . . ?
C64 C16 C33 119.6(17) . . ?
C12 C17 S0T 115.6(10) . . ?
C22 C17 S0T 107.5(11) . . ?
C22 C17 C12 108.0(13) . . ?
C99 C17 S0T 110.2(10) . . ?
C99 C17 C12 109.4(13) . . ?
C99 C17 C22 105.7(13) . . ?
C60 C18 C176 121.7(19) . . ?
P0Z C19 Fe00 124.1(10) . . ?
C3 C19 Fe00 70.7(11) . . ?
C3 C19 P0Z 122.6(15) . . ?
C3 C19 C124 108.2(18) . . ?
C124 C19 Fe00 69.8(12) . . ?
C124 C19 P0Z 129.2(15) . . ?
C203 C20 C7 110.6(14) . . ?
C169 C21 C120 122(2) . . ?
C17 C22 C29 111.0(14) . . ?
C13 C23 P0Z 122.2(14) . . ?
C13 C23 C122 116.3(18) . . ?
C122 C23 P0Z 121.3(14) . . ?
C4 C24 P12 123.7(13) . . ?
C35 C24 P12 118.8(12) . . ?
C35 C24 C4 117.5(16) . . ?
C27 C25 P14 118.4(13) . . ?
C27 C25 C189 120.6(17) . . ?
C189 C25 P14 120.9(14) . . ?
C5 C26 C57 110.1(15) . . ?
C25 C27 C83 116.5(18) . . ?
C53 C28 C54 106.2(16) . . ?
C22 C29 C86 108.7(14) . . ?
C107 C29 C22 110.7(14) . . ?
C107 C29 C86 109.2(15) . . ?
C61 C30 C220 120(2) . . ?
C50 C31 C199 112(2) . . ?
C200 C32 C7 108.1(15) . . ?
C90 C33 C16 118.6(16) . . ?
C14 C34 C63 118.0(18) . . ?
C24 C35 C58 119.4(17) . . ?
C63 C36 C74 118.0(19) . . ?
C38 C37 C42 120.0 . . ?
C37 C38 C39 120.0 . . ?
C40 C39 C38 120.0 . . ?
C39 C40 C41 120.0 . . ?
C40 C41 B07K 120.2(10) . . ?
C42 C41 C40 120.0 . . ?
C42 C41 B07K 119.8(10) . . ?
C41 C42 C37 120.0 . . ?
C100 C43 C1 113.0(17) . . ?
C140 C44 Fe0N 71.4(10) . . ?
C152 C44 Fe0N 73.0(10) . . ?
C152 C44 C140 112.3(16) . . ?
C146 C45 S0U 110.9(18) . . ?
C210 C45 S0U 109.7(17) . . ?
C210 C45 C146 104(2) . . ?
C226 C45 S0U 113.1(19) . . ?
C226 C45 C146 104(2) . . ?
C226 C45 C210 114(2) . . ?
C5 C46 C149 109.5(16) . . ?
C62 C47 C15 105.6(15) . . ?
C9 C48 C49 107.7(16) . . ?
C9 C48 C198 117(2) . . ?
C198 C48 C49 108.1(19) . . ?
C15 C49 C48 109.1(16) . . ?
C31 C50 C94 110.9(19) . . ?
C31 C50 C230 109.2(19) . . ?
C94 C50 C230 107.6(19) . . ?
C93 C51 P17 122.4(16) . . ?
C223 C51 P17 120(2) . . ?
C223 C51 C93 118(2) . . ?
C201 C52 C172 126(2) . . ?
C102 C53 C28 108.8(18) . . ?
C105 C53 C28 110.5(18) . . ?
C105 C53 C102 108.4(18) . . ?
C28 C54 S0W 106.1(13) . . ?
C139 C54 S0W 114.1(13) . . ?
C139 C54 C28 109.3(15) . . ?
C147 C54 S0W 109.8(13) . . ?
C147 C54 C28 111.7(16) . . ?
C147 C54 C139 106.0(16) . . ?
C96 C55 C196 116(2) . . ?
C2 C56 S10 110.5(12) . . ?
C2 C56 C65 112.9(14) . . ?
C2 C56 C132 111.5(13) . . ?
C65 C56 S10 104.4(11) . . ?
C65 C56 C132 111.3(14) . . ?
C132 C56 S10 105.7(11) . . ?
C26 C57 S0R 112.3(11) . . ?
C26 C57 C119 108.4(14) . . ?
C26 C57 C224 109.2(14) . . ?
C119 C57 S0R 106.2(11) . . ?
C224 C57 S0R 110.0(11) . . ?
C224 C57 C119 110.6(14) . . ?
C95 C58 C35 122(2) . . ?
C117 C59 P15 125.5(15) . . ?
C117 C59 C143 117.2(18) . . ?
C143 C59 P15 117.2(14) . . ?
C18 C60 C75 124.5(18) . . ?
C30 C61 P14 124.3(16) . . ?
C30 C61 C173 120.3(19) . . ?
C173 C61 P14 115.4(14) . . ?
C47 C62 C9 110.5(18) . . ?
C191 C62 C9 108(2) . . ?
C191 C62 C47 109(2) . . ?
C36 C63 C34 122(2) . . ?
C16 C64 C66 121.9(19) . . ?
C11 C65 C56 105.2(15) . . ?
C157 C66 C64 119.3(18) . . ?
C78 C67 S11 111.9(14) . . ?
C78 C67 C182 113.4(18) . . ?
C130 C67 S11 104.9(14) . . ?
C130 C67 C78 110.8(18) . . ?
C130 C67 C182 109.4(18) . . ?
C182 C67 S11 105.9(14) . . ?
C69 C68 C73 120.0 . . ?
C68 C69 C70 120.0 . . ?
C68 C69 B07K 120.2(10) . . ?
C70 C69 B07K 119.6(10) . . ?
C69 C70 C71 120.0 . . ?
C72 C71 C70 120.0 . . ?
C71 C72 C73 120.0 . . ?
C72 C73 C68 120.0 . . ?
C10 C74 C36 121.5(18) . . ?
C60 C75 P16 121.4(13) . . ?
C60 C75 C88 117.2(17) . . ?
C88 C75 P16 121.3(15) . . ?
C94 C76 S0S 108.5(12) . . ?
C94 C76 C238 105.5(15) . . ?
C153 C76 S0S 116.9(15) . . ?
C153 C76 C94 110.3(16) . . ?
C153 C76 C238 107.2(16) . . ?
C238 C76 S0S 107.8(12) . . ?
C89 C77 C103 108.6(17) . . ?
C89 C77 C269 111.1(17) . . ?
C103 C77 C269 107.0(17) . . ?
C234 C78 C67 111(2) . . ?
C100 C79 C116 108.3(17) . . ?
C81 C80 C6 120.9(18) . . ?
C98 C81 C80 118.5(19) . . ?
C15 C82 C227 110.7(18) . . ?
C87 C83 C27 120(2) . . ?
P12 C84 Fe0N 124.6(9) . . ?
C8 C84 Fe0N 70.3(10) . . ?
C8 C84 P12 121.0(13) . . ?
C8 C84 C129 107.5(15) . . ?
C129 C84 Fe0N 71.9(10) . . ?
C129 C84 P12 131.4(13) . . ?
C167 C85 C178 121.5(19) . . ?
C177 C86 C29 106.2(15) . . ?
C206 C87 C83 121(2) . . ?
C229 C88 C75 118(2) . . ?
C77 C89 C203 111.1(17) . . ?
C33 C90 C157 122.8(18) . . ?
C6 C91 P12 116.0(12) . . ?
C6 C91 C115 121.5(16) . . ?
C115 C91 P12 122.3(12) . . ?
C116 C92 C1 109.2(16) . . ?
C51 C93 C174 123(2) . . ?
C50 C94 C76 110.8(16) . . ?
C125 C95 C58 119(2) . . ?
C55 C96 C13 121.3(18) . . ?
C203 C97 C200 109.2(16) . . ?
C115 C98 C81 120.5(18) . . ?
C177 C99 C17 111.7(14) . . ?
C43 C100 C79 109.5(16) . . ?
C43 C100 C188 107.7(17) . . ?
C79 C100 C188 110.4(17) . . ?
C114 C101 B08G 122.9(18) . . ?
C123 C101 C114 117(2) . . ?
C123 C101 B08G 119.9(19) . . ?
C144 C102 C53 111(2) . . ?
C77 C103 C200 111.3(18) . . ?
C160 C104 Fe00 68.2(10) . . ?
C190 C104 Fe00 71.0(11) . . ?
C190 C104 C160 106.7(16) . . ?
C53 C105 C205 112.5(17) . . ?
C126 C106 C11 108.4(18) . . ?
C192 C107 C29 109.3(14) . . ?
C109 C108 C113 120.0 . . ?
C110 C109 C108 120.0 . . ?
C109 C110 C111 120.0 . . ?
C112 C111 C110 120.0 . . ?
C111 C112 C113 120.0 . . ?
C108 C113 B07K 118.8(10) . . ?
C112 C113 C108 120.0 . . ?
C112 C113 B07K 121.2(10) . . ?
C101 C114 C161 122.0(19) . . ?
C98 C115 C91 120.5(17) . . ?
C92 C116 C79 113.6(18) . . ?
C92 C116 C145 110.1(18) . . ?
C145 C116 C79 108.2(17) . . ?
C59 C117 C131 120.0(19) . . ?
C124 C118 Fe00 67.7(13) . . ?
C124 C118 C127 107(2) . . ?
C127 C118 Fe00 67.3(14) . . ?
C149 C119 C57 108.4(15) . . ?
C21 C120 P16 122.1(14) . . ?
C21 C120 C165 119.2(19) . . ?
C165 C120 P16 118.7(16) . . ?
C205 C121 C144 109.3(18) . . ?
C196 C122 C23 122(2) . . ?
C101 C123 C207 126(2) . . ?
C19 C124 Fe00 68.1(12) . . ?
C118 C124 Fe00 72.5(14) . . ?
C118 C124 C19 108(2) . . ?
C95 C125 C4 118.1(18) . . ?
C106 C126 C2 109.7(17) . . ?
C194 C126 C2 109.4(17) . . ?
C194 C126 C106 109.6(18) . . ?
C3 C127 Fe00 69.6(12) . . ?
C118 C127 Fe00 72.3(14) . . ?
C118 C127 C3 109(2) . . ?
C8 C128 Fe0N 68.2(10) . . ?
C164 C128 Fe0N 71.0(12) . . ?
C164 C128 C8 104.6(17) . . ?
C84 C129 Fe0N 66.2(9) . . ?
C164 C129 Fe0N 70.1(12) . . ?
C164 C129 C84 106.8(17) . . ?
C67 C130 C246 109.2(19) . . ?
C187 C131 C117 123(2) . . ?
C56 C132 C225 105.3(15) . . ?
C134 C133 C138 120.0 . . ?
C135 C134 C133 120.0 . . ?
C134 C135 C136 120.0 . . ?
C135 C136 C137 120.0 . . ?
C138 C137 C136 120.0 . . ?
C133 C138 B07K 120.5(10) . . ?
C137 C138 C133 120.0 . . ?
C137 C138 B07K 119.4(10) . . ?
C205 C139 C54 114.8(17) . . ?
P14 C140 Fe0N 128.5(10) . . ?
C44 C140 Fe0N 67.6(9) . . ?
C44 C140 P14 122.4(13) . . ?
C208 C140 Fe0N 69.4(10) . . ?
C208 C140 P14 132.8(14) . . ?
C208 C140 C44 104.8(15) . . ?
C179 C141 C172 125(2) . . ?
P17 C142 Fe1 124.5(11) . . ?
C158 C142 Fe1 69.7(12) . . ?
C158 C142 P17 119.3(16) . . ?
C158 C142 C163 110.9(19) . . ?
C163 C142 Fe1 73.0(12) . . ?
C163 C142 P17 129.8(16) . . ?
C59 C143 C154 120(2) . . ?
C102 C144 C121 110.3(19) . . ?
C102 C144 C147 109.7(19) . . ?
C121 C144 C147 107.9(18) . . ?
C116 C145 C204 109.3(18) . . ?
C45 C146 C256 111(3) . . ?
C54 C147 C144 109.7(16) . . ?
C166 C148 C259 107.8(17) . . ?
C119 C149 C46 108.8(15) . . ?
C119 C149 C181 110.9(16) . . ?
C181 C149 C46 107.5(15) . . ?
C171 C150 Fe1 66.4(11) . . ?
C171 C150 C180 101.7(18) . . ?
C180 C150 Fe1 68.4(12) . . ?
C209 C151 C184 119.8(19) . . ?
C44 C152 Fe0N 67.7(10) . . ?
C44 C152 C195 104.0(16) . . ?
C195 C152 Fe0N 68.9(11) . . ?
C76 C153 C255 113.8(19) . . ?
C187 C154 C143 123(2) . . ?
C204 C155 C1 109.3(15) . . ?
C219 C156 C173 120(2) . . ?
C90 C157 C66 117.7(18) . . ?
C142 C158 Fe1 70.5(13) . . ?
C142 C158 C185 108.0(19) . . ?
C185 C158 Fe1 69.7(12) . . ?
C211 C159 S0Y 110.4(12) . . ?
C211 C159 C236 104.5(14) . . ?
C222 C159 S0Y 110.9(11) . . ?
C222 C159 C211 107.3(17) . . ?
C222 C159 C236 114.4(16) . . ?
C236 C159 S0Y 109.2(11) . . ?
P16 C160 Fe00 125.5(9) . . ?
C104 C160 Fe00 69.3(10) . . ?
C104 C160 P16 123.6(13) . . ?
C162 C160 Fe00 68.4(11) . . ?
C162 C160 P16 129.3(14) . . ?
C162 C160 C104 107.0(16) . . ?
C175 C161 C114 118.3(19) . . ?
C160 C162 Fe00 69.3(11) . . ?
C183 C162 Fe00 70.7(12) . . ?
C183 C162 C160 106.3(18) . . ?
C142 C163 Fe1 67.6(12) . . ?
C142 C163 C186 103.9(19) . . ?
C186 C163 Fe1 67.7(12) . . ?
C128 C164 Fe0N 69.0(11) . . ?
C129 C164 Fe0N 72.6(12) . . ?
C129 C164 C128 112.8(19) . . ?
C170 C165 C120 118(2) . . ?
C148 C166 S13 111.8(15) . . ?
C193 C166 S13 109.1(15) . . ?
C193 C166 C148 107.9(19) . . ?
C193 C166 C240 103.5(18) . . ?
C240 C166 S13 109.8(16) . . ?
C240 C166 C148 114.3(18) . . ?
C85 C167 C209 117.3(19) . . ?
C177 C168 C192 111.7(17) . . ?
C21 C169 C232 122(2) . . ?
C232 C170 C165 119(2) . . ?
P15 C171 Fe1 125.9(10) . . ?
C150 C171 Fe1 72.1(11) . . ?
C150 C171 P15 123.3(15) . . ?
C235 C171 Fe1 70.4(13) . . ?
C235 C171 P15 125.7(16) . . ?
C235 C171 C150 111.0(18) . . ?
C52 C172 C141 111.1(18) . . ?
C52 C172 B08G 124.9(19) . . ?
C141 C172 B08G 124.0(18) . . ?
C156 C173 C61 120.2(19) . . ?
C239 C174 C93 115(3) . . ?
C161 C175 C207 120(2) . . ?
C18 C176 C229 119.1(18) . . ?
C99 C177 C86 111.4(16) . . ?
C99 C177 C168 111.4(16) . . ?
C168 C177 C86 108.6(16) . . ?
C184 C178 C85 123(2) . . ?
C141 C179 C202 121(2) . . ?
C150 C180 Fe1 70.4(12) . . ?
C218 C180 Fe1 69.7(15) . . ?
C218 C180 C150 110(2) . . ?
C215 C181 C149 108.6(16) . . ?
C67 C182 C212 103.1(19) . . ?
C162 C183 Fe00 67.7(12) . . ?
C190 C183 Fe00 70.9(12) . . ?
C190 C183 C162 109(2) . . ?
C151 C184 B08G 117.3(18) . . ?
C178 C184 C151 114.3(19) . . ?
C178 C184 B08G 128.2(19) . . ?
C158 C185 Fe1 69.0(12) . . ?
C186 C185 Fe1 70.9(13) . . ?
C186 C185 C158 106.0(19) . . ?
C163 C186 Fe1 71.7(12) . . ?
C185 C186 Fe1 69.7(13) . . ?
C185 C186 C163 111.1(19) . . ?
C131 C187 C154 117(2) . . ?
C100 C188 C204 107.7(16) . . ?
C206 C189 C25 121(2) . . ?
C104 C190 Fe00 69.1(10) . . ?
C183 C190 Fe00 69.9(12) . . ?
C183 C190 C104 110.9(19) . . ?
C227 C191 C62 117(3) . . ?
C107 C192 C12 110.6(15) . . ?
C168 C192 C12 108.7(15) . . ?
C168 C192 C107 107.0(15) . . ?
C241 C193 C166 118.6(19) . . ?
C126 C194 C225 110.1(18) . . ?
C152 C195 Fe0N 69.4(11) . . ?
C208 C195 Fe0N 69.2(12) . . ?
C208 C195 C152 107.7(18) . . ?
C122 C196 C55 120(2) . . ?
C212 C197 C234 118(3) . . ?
C48 C198 C227 105(2) . . ?
C31 C199 C238 106.9(18) . . ?
C237 C199 C31 108.7(19) . . ?
C237 C199 C238 109.9(19) . . ?
C32 C200 C97 112.9(16) . . ?
C32 C200 C103 108.6(17) . . ?
C103 C200 C97 107.0(17) . . ?
C52 C201 C202 120(2) . . ?
C201 C202 C179 118(2) . . ?
C20 C203 C89 107.4(15) . . ?
C97 C203 C20 112.1(16) . . ?
C97 C203 C89 107.2(16) . . ?
C145 C204 C155 108.5(16) . . ?
C145 C204 C188 110.9(17) . . ?
C155 C204 C188 109.1(16) . . ?
C105 C205 C121 107.5(17) . . ?
C139 C205 C105 109.3(17) . . ?
C139 C205 C121 107.4(17) . . ?
C189 C206 C87 120(2) . . ?
C123 C207 C175 116(2) . . ?
C140 C208 Fe0N 71.1(11) . . ?
C195 C208 Fe0N 71.7(12) . . ?
C195 C208 C140 111.2(18) . . ?
C151 C209 C167 124(2) . . ?
C247 C210 C45 111(3) . . ?
C243 C211 C159 114.7(17) . . ?
C197 C212 C182 107(2) . . ?
C197 C212 C248 111(2) . . ?
C248 C212 C182 107(2) . . ?
C225 C213 C11 113(2) . . ?
C215 C214 C5 111.0(18) . . ?
C181 C215 C224 109.5(16) . . ?
C214 C215 C181 109.7(18) . . ?
C214 C215 C224 112.4(17) . . ?
C231 C216 C257 116(3) . . ?
C231 C217 C233 112(2) . . ?
C231 C217 B08G 123(2) . . ?
C233 C217 B08G 125(2) . . ?
C180 C218 Fe1 70.0(15) . . ?
C235 C218 Fe1 69.6(16) . . ?
C235 C218 C180 109(3) . . ?
C156 C219 C220 120(2) . . ?
C219 C220 C30 120(2) . . ?
C246 C221 C234 115(2) . . ?
C159 C222 C242 103.0(18) . . ?
C51 C223 C260 125(3) . . ?
C69 B07K C41 110.2(14) . . ?
C69 B07K C113 108.1(13) . . ?
C69 B07K C138 109.0(14) . . ?
C113 B07K C41 106.1(14) . . ?
C113 B07K C138 109.6(14) . . ?
C138 B07K C41 113.7(13) . . ?
C215 C224 C57 108.6(15) . . ?
C194 C225 C132 110.4(18) . . ?
C213 C225 C132 108.1(19) . . ?
C213 C225 C194 110(2) . . ?
C45 C226 C263 110(3) . . ?
C82 C227 C198 104(2) . . ?
C191 C227 C82 104(2) . . ?
C191 C227 C198 112(3) . . ?
C242 C228 C243 106.0(19) . . ?
C176 C229 C88 119.1(19) . . ?
C255 C230 C50 110(2) . . ?
C216 C231 C217 130(3) . . ?
C169 C232 C170 119(2) . . ?
C265 C233 C217 127(3) . . ?
C78 C234 C197 107(3) . . ?
C78 C234 C221 104(2) . . ?
C197 C234 C221 105(2) . . ?
C171 C235 Fe1 68.8(13) . . ?
C218 C235 Fe1 71.7(17) . . ?
C218 C235 C171 108(2) . . ?
C270 C236 C159 113.9(15) . . ?
C255 C237 C199 113(2) . . ?
C199 C238 C76 109.1(17) . . ?
C174 C239 C260 124(3) . . ?
C166 C240 C261 109.7(18) . . ?
C193 C241 C244 101.9(17) . . ?
C193 C241 C258 112.7(19) . . ?
C258 C241 C244 99.6(16) . . ?
C222 C242 C267 112.8(18) . . ?
C228 C242 C222 113.4(19) . . ?
C228 C242 C267 106.2(17) . . ?
C211 C243 C228 105.8(17) . . ?
C211 C243 C266 110.8(17) . . ?
C266 C243 C228 113.6(17) . . ?
C261 C244 C241 112.6(17) . . ?
C247 C245 C256 111(3) . . ?
C221 C246 C130 102(2) . . ?
C248 C246 C130 104(2) . . ?
C248 C246 C221 118(3) . . ?
C210 C247 C264 110(3) . . ?
C245 C247 C210 112(3) . . ?
C245 C247 C264 105(3) . . ?
C101 B08G C172 110.5(17) . . ?
C184 B08G C101 107.1(18) . . ?
C184 B08G C172 103.0(16) . . ?
C217 B08G C101 108.3(18) . . ?
C217 B08G C172 114.1(19) . . ?
C217 B08G C184 113.5(19) . . ?
C246 C248 C212 114(2) . . ?
C250 C249 C254 120.0 . . ?
C249 C250 C251 120.0 . . ?
C250 C251 P17 119.5(6) . . ?
C252 C251 P17 119.8(6) . . ?
C252 C251 C250 120.0 . . ?
C251 C252 C253 120.0 . . ?
C254 C253 C252 120.0 . . ?
C253 C254 C249 120.0 . . ?
C230 C255 C153 106(2) . . ?
C237 C255 C153 106(2) . . ?
C237 C255 C230 112(2) . . ?
C245 C256 C146 109(3) . . ?
C262 C256 C146 108(3) . . ?
C262 C256 C245 110(3) . . ?
C265 C257 C216 117(3) . . ?
C259 C258 C241 110.9(18) . . ?
C258 C259 C148 107.3(16) . . ?
C258 C259 C285 112.3(16) . . ?
C285 C259 C148 110.6(17) . . ?
C223 C260 C239 114(3) . . ?
C244 C261 C240 103.0(16) . . ?
C244 C261 C285 114.5(17) . . ?
C285 C261 C240 110.5(17) . . ?
C256 C262 C263 109(3) . . ?
C262 C263 C226 113(3) . . ?
C264 C263 C226 111(3) . . ?
C264 C263 C262 110(3) . . ?
C263 C264 C247 107(3) . . ?
C233 C265 C257 117(3) . . ?
C270 C266 C243 107.3(16) . . ?
C270 C267 C242 116.2(17) . . ?
Ag1 Au1 Ag3 114.11(4) . . ?
Ag1 Au1 Ag7 61.51(4) . . ?
Ag2 Au1 Ag1 63.77(4) . . ?
Ag2 Au1 Ag3 62.34(4) . . ?
Ag2 Au1 Ag4 62.59(4) . . ?
Ag2 Au1 Ag5 113.40(4) . . ?
Ag2 Au1 Ag6 115.93(4) . . ?
Ag2 Au1 Ag7 114.71(4) . . ?
Ag2 Au1 Ag8 66.46(4) . . ?
Ag2 Au1 Ag9 115.99(4) . . ?
Ag2 Au1 Ag10 62.52(4) . . ?
Ag2 Au1 Ag11 119.92(4) . . ?
Ag2 Au1 Ag12 175.85(4) . . ?
Ag3 Au1 Ag7 175.54(4) . . ?
Ag4 Au1 Ag1 118.05(4) . . ?
Ag4 Au1 Ag3 62.54(4) . . ?
Ag4 Au1 Ag7 119.70(4) . . ?
Ag4 Au1 Ag9 112.27(4) . . ?
Ag5 Au1 Ag1 116.37(4) . . ?
Ag5 Au1 Ag3 117.87(4) . . ?
Ag5 Au1 Ag4 63.08(4) . . ?
Ag5 Au1 Ag7 66.11(4) . . ?
Ag5 Au1 Ag8 179.71(4) . . ?
Ag5 Au1 Ag9 118.17(4) . . ?
Ag6 Au1 Ag1 179.57(5) . . ?
Ag6 Au1 Ag3 65.84(4) . . ?
Ag6 Au1 Ag4 61.54(4) . . ?
Ag6 Au1 Ag5 63.41(4) . . ?
Ag6 Au1 Ag7 118.54(4) . . ?
Ag6 Au1 Ag8 116.39(4) . . ?
Ag6 Au1 Ag9 62.90(4) . . ?
Ag8 Au1 Ag1 63.83(3) . . ?
Ag8 Au1 Ag3 61.84(3) . . ?
Ag8 Au1 Ag4 116.65(4) . . ?
Ag8 Au1 Ag7 114.18(4) . . ?
Ag8 Au1 Ag9 61.77(3) . . ?
Ag9 Au1 Ag1 117.48(4) . . ?
Ag9 Au1 Ag3 61.47(4) . . ?
Ag9 Au1 Ag7 119.11(4) . . ?
Ag10 Au1 Ag1 61.58(3) . . ?
Ag10 Au1 Ag3 117.53(4) . . ?
Ag10 Au1 Ag4 67.70(4) . . ?
Ag10 Au1 Ag5 63.31(4) . . ?
Ag10 Au1 Ag6 118.03(4) . . ?
Ag10 Au1 Ag7 61.78(4) . . ?
Ag10 Au1 Ag8 116.75(4) . . ?
Ag10 Au1 Ag9 178.42(4) . . ?
Ag11 Au1 Ag1 66.09(4) . . ?
Ag11 Au1 Ag3 114.80(4) . . ?
Ag11 Au1 Ag4 175.56(4) . . ?
Ag11 Au1 Ag5 117.19(4) . . ?
Ag11 Au1 Ag6 114.33(4) . . ?
Ag11 Au1 Ag7 63.23(4) . . ?
Ag11 Au1 Ag8 63.06(4) . . ?
Ag11 Au1 Ag9 63.48(4) . . ?
Ag11 Au1 Ag10 116.58(4) . . ?
Ag11 Au1 Ag12 63.06(4) . . ?
Ag12 Au1 Ag1 116.79(4) . . ?
Ag12 Au1 Ag3 119.72(4) . . ?
Ag12 Au1 Ag4 114.65(4) . . ?
Ag12 Au1 Ag5 62.51(4) . . ?
Ag12 Au1 Ag6 63.49(4) . . ?
Ag12 Au1 Ag7 63.46(4) . . ?
Ag12 Au1 Ag8 117.63(4) . . ?
Ag12 Au1 Ag9 67.69(4) . . ?
Ag12 Au1 Ag10 113.82(4) . . ?
Cl1 C268 Cl0A 115.9(17) . . ?
C7 C269 C77 108.0(17) . . ?
C236 C270 C267 99.6(14) . . ?
C266 C270 C236 116.4(16) . . ?
C266 C270 C267 104.5(15) . . ?
C272 C271 C276 120.0 . . ?
C271 C272 C273 120.0 . . ?
C272 C273 C283 130.9(11) . . ?
C274 C273 C272 120.0 . . ?
C274 C273 C283 107.3(11) . . ?
C273 C274 C275 120.0 . . ?
C276 C275 C274 120.0 . . ?
C275 C276 C271 120.0 . . ?
C278 C277 C282 120.0 . . ?
C278 C277 C284 104.6(11) . . ?
C282 C277 C284 135.2(11) . . ?
C277 C278 C279 120.0 . . ?
C280 C279 C278 120.0 . . ?
C279 C280 C281 120.0 . . ?
C282 C281 C280 120.0 . . ?
C281 C282 C277 120.0 . . ?
C259 C285 C261 110.1(17) . . ?

_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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2031750'
loop_
_audit_author_name
_audit_author_address
'shan jin'
;An Hui University
China
;
_audit_update_record             
;
2020-09-14 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_audit_creation_date             2019-05-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C222 H264 Ag22 Fe3 P6 S12, 2(C24 H20 B), 3(C7 H8), C7 H5'
_chemical_formula_sum            'C298 H333 Ag22 B2 Fe3 P6 S12'
_chemical_formula_weight         7047.47
_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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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                   21.4120(2)
_cell_length_b                   27.2727(3)
_cell_length_c                   29.7612(3)
_cell_angle_alpha                79.1230(10)
_cell_angle_beta                 70.4930(10)
_cell_angle_gamma                66.9560(10)
_cell_volume                     15041.0(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    185704
_cell_measurement_temperature    150
_cell_measurement_theta_max      70.39
_cell_measurement_theta_min      3.49
_shelx_estimated_absorpt_T_max   0.546
_shelx_estimated_absorpt_T_min   0.340
_exptl_absorpt_coefficient_mu    13.755
_exptl_absorpt_correction_T_max  0.2646
_exptl_absorpt_correction_T_min  0.0448
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7050
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            155377
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.000
_diffrn_reflns_theta_max         67.000
_diffrn_reflns_theta_min         3.476
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                43400
_reflns_number_total             52178
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.376
_refine_diff_density_min         -2.145
_refine_diff_density_rms         0.202
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     3031
_refine_ls_number_reflns         52178
_refine_ls_number_restraints     7192
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0741
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1020P)²+198.1240P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1974
_refine_ls_wR_factor_ref         0.2054
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C53-C08R = C53-C0AA = C22-C0AA = C49-C0AA = C56-C49 = C56-C24 = C59-C56 = C59-
 C08R
 1.45 with sigma of 0.01
 C22-C07C = C08Q-C07C = C24-C07C
 1.5 with sigma of 0.05
 C23-C08M
 1.45 with sigma of 0.01
 C26-C07W = C26-C08N = C08N-C089 = C23-C089
 1.45 with sigma of 0.01
 C23-C089
 1.45 with sigma of 0.01
3. Restrained planarity
 C56, C0AA, C59, C53
 with sigma of 0.1
 C085, C088, C08C, C08J, C08T, C08Y, C12
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C018 \\sim C019 \\sim C01A \\sim C01B \\sim C01C \\sim C01D \\sim C01E \\sim
C01F \\sim C01G \\sim C01H \\sim C01I \\sim C01J \\sim C01K \\sim C01L \\sim
C01M \\sim C01N \\sim C01O \\sim C01P \\sim C01Q \\sim C01R \\sim C01S \\sim
C01T \\sim C01U \\sim C01V \\sim C01W \\sim C01X \\sim C01Y \\sim C01Z \\sim
C020 \\sim C021 \\sim C022 \\sim C023 \\sim C024 \\sim C025 \\sim C026 \\sim
C027 \\sim C028 \\sim C029 \\sim C02A \\sim C02B \\sim C02C \\sim C02D \\sim
C02E \\sim C02F \\sim C02G \\sim C02H \\sim C02I \\sim C02J \\sim C02K \\sim
C02L \\sim C02M \\sim C02N \\sim C02O \\sim C02P \\sim C02Q \\sim C02R \\sim
C02S \\sim C02T \\sim C02U \\sim C02V \\sim C02W \\sim C02X \\sim C02Y \\sim
C02Z \\sim C030 \\sim C031 \\sim C032 \\sim C033 \\sim C034 \\sim C035 \\sim
C036 \\sim C037 \\sim C038 \\sim C039 \\sim C03A \\sim C03B \\sim C03C \\sim
C03D \\sim C03E \\sim C03F \\sim C03G \\sim C03H \\sim C03I \\sim C03J \\sim
C03K \\sim C03L \\sim C03M \\sim C03N \\sim C03O \\sim C03P \\sim C03Q \\sim
C03R \\sim C03S \\sim C03T \\sim C03U \\sim C03V \\sim C03W \\sim C03X \\sim
C03Y \\sim C03Z \\sim C040 \\sim C041 \\sim C042 \\sim C043 \\sim C044 \\sim
C045 \\sim C046 \\sim C047 \\sim C048 \\sim C049 \\sim C04A \\sim C04B \\sim
C04C \\sim C04D \\sim C04E \\sim C04F \\sim C04G \\sim C04H \\sim C04I \\sim
C04J \\sim C04K \\sim C04L \\sim C04M \\sim C04N \\sim C04O \\sim C04P \\sim
C04Q \\sim C04R \\sim C04S \\sim C04T \\sim C04U \\sim C04V \\sim C04W \\sim
C04X \\sim C04Y \\sim C04Z \\sim C050 \\sim C051 \\sim C052 \\sim C053 \\sim
C054 \\sim C055 \\sim C056 \\sim C057 \\sim C058 \\sim C059 \\sim C05A \\sim
C05B \\sim C05C \\sim C05D \\sim C05E \\sim C05F \\sim C05G \\sim C05H \\sim
C05I \\sim C05J \\sim C05K \\sim C05L \\sim C05M \\sim C05N \\sim C05O \\sim
C05P \\sim C05Q \\sim C05R \\sim C05S \\sim C05T \\sim C05U \\sim C05V \\sim
C05W \\sim C05X \\sim C05Y \\sim C05Z \\sim C060 \\sim C061 \\sim C062 \\sim
C063 \\sim C064 \\sim C065 \\sim C066 \\sim C067 \\sim C068 \\sim C069 \\sim
C06A \\sim C06B \\sim C06C \\sim C06D \\sim C06E \\sim C06F \\sim C06G \\sim
C06H \\sim C06I \\sim C06J \\sim C06K \\sim C06L \\sim C06M \\sim C06N \\sim
C06O \\sim C06P \\sim C06Q \\sim C06R \\sim C06S \\sim C06T \\sim C06U \\sim
C06V \\sim C06W \\sim C06X \\sim C06Y \\sim C070 \\sim C071 \\sim C072 \\sim
C073 \\sim C074 \\sim C075 \\sim C076 \\sim C077 \\sim C078 \\sim C079 \\sim
C07A \\sim C07B \\sim C07C \\sim C07D \\sim C07E \\sim C07F \\sim C07G \\sim
C07H \\sim C07I \\sim C07J \\sim C07K \\sim C07L \\sim C07M \\sim C07N \\sim
C07O \\sim C07P \\sim C07R \\sim C07S \\sim C07T \\sim C07U \\sim C07V \\sim
C07W \\sim C07X \\sim C07Y \\sim C07Z \\sim C080 \\sim C081 \\sim C083 \\sim
C084 \\sim C085 \\sim C086 \\sim C087 \\sim C088 \\sim C089 \\sim C08A \\sim
C08B \\sim C08C \\sim C08D \\sim C08E \\sim C08F \\sim C08G \\sim C08J \\sim
C08K \\sim C08M \\sim C08N \\sim C08O \\sim C08Q \\sim C08R \\sim C08T \\sim
C08U \\sim C08W \\sim C08Y \\sim C08Z \\sim C090 \\sim C6 \\sim C7 \\sim C2
\\sim C0AA \\sim C11 \\sim C13 \\sim C19 \\sim C18 \\sim C5 \\sim C15 \\sim C12
\\sim C16 \\sim C46 \\sim C68 \\sim C72 \\sim C57 \\sim C69 \\sim C22 \\sim C23
\\sim C24 \\sim C26 \\sim C27 \\sim C49 \\sim C53 \\sim C56 \\sim C59 \\sim
C70: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Ternary CH refined with riding coordinates:
 C01H(H01J), C01X(H01X), C02I(H02Q), C02K(H02S), C032(H032), C039(H039),
 C03L(H03L), C03M(H03M), C03T(H03T), C03V(H03V), C046(H046), C04K(H04N),
 C04P(H04T), C052(H052), C056(H056), C05F(H05P), C05L(H05T), C05O(H05V),
 C05Y(H05Z), C060(H060), C061(H061), C06C(H06G), C071(H071), C072(H072),
 C073(H073), C078(H078), C07D(H07F), C07I(H07J), C07T(H07T), C07V(H07V),
 C07W(H07W), C080(H080), C08N(H08N), C08R(H08R), C0AA(H0AB), C23(H23), C56(H56)
5.b Secondary CH2 refined with riding coordinates:
 C018(H01A,H01B), C01B(H01C,H01D), C01C(H01E,H01F), C01G(H01H,H01I), C01M(H01N,
 H01O), C01N(H01P,H01Q), C01W(H01S,H01V), C022(H02A,H02B), C028(H02C,H02D),
 C02D(H02H,H02I), C02E(H02J,H02K), C02F(H02L,H02M), C02H(H02O,H02P), C02N(H02V,
 H02W), C02U(H02,H), C02W(H1AA,HA), C02Y(H2AA,HB), C030(H03A,H03B), C03A(H03C,
 H03D), C03G(H03F,H03G), C03R(H03J,H03P), C03W(H03Q,H03R), C049(H04A,H04B),
 C04C(H04D,H04E), C04D(H04F,H04G), C04J(H04L,H04M), C04M(H04P,H04Q), C04N(H04R,
 H04S), C04Q(H04U,H04V), C04T(H04Y,HC), C04U(H04Z,HD), C04X(H4AA,HE), C04Y(H5AA,
 HF), C050(H05A,H05B), C053(H05C,H05D), C054(H05E,H05F), C055(H05G,H05H),
 C059(H05I,H05J), C05A(H05K,H05L), C05E(H05N,H05O), C05X(H05Y,HG), C062(H06A,
 H06B), C069(H06C,H06D), C06J(H06K,H06L), C06K(H06M,H06N), C06M(H06P,H06Q),
 C06O(H06R,H06S), C06R(H06T,H06U), C06S(H06V,H06W), C06U(H06Y,HH), C06Y(H06Z,
 HI), C070(H07A,H07B), C076(H07C,H07D), C07G(H07G,H07H), C07J(H07K,H07L),
 C07K(H07M,H07N), C07S(H07R,H07S), C07X(H07U,H07X), C07Z(H07Y,HJ), C081(H08A,
 H08B), C089(H08C,H08D), C08F(H08E,H08F), C08K(H08G,H08H), C08M(H08I,H08J),
 C08O(H08K,H08L), C08Q(H08M,H08O), C22(H22A,H22B), C24(H24A,H24B), C26(H26A,
 H26B), C49(H49A,H49B), C53(H53A,H53B), C59(H59A,H59B)
5.c Aromatic/amide H refined with riding coordinates:
 C019(H019), C01D(H01G), C01I(H01K), C01K(H01L), C01L(H01M), C01R(H01R),
 C01T(H01T), C01U(H01U), C01V(H01W), C01Y(H01Y), C023(H023), C027(H027),
 C02A(H02E), C02B(H02F), C02C(H02G), C02G(H02N), C02J(H02R), C02L(H02T),
 C02M(H02U), C02O(H02X), C02P(H7AA), C02Q(H02Y), C02S(H02Z), C02V(H0AA),
 C02Z(H3AA), C035(H035), C037(H037), C038(H038), C03E(H03E), C03F(H03W),
 C03H(H03H), C03I(H03I), C03J(H03Y), C03K(H03K), C03N(H03N), C03O(H03O),
 C03S(H03S), C03U(H03U), C03X(H03X), C03Z(H03Z), C040(H040), C041(H041),
 C042(H042), C044(H044), C045(H045), C047(H047), C048(H048), C04A(H04C),
 C04E(H04H), C04F(H8BA), C04G(H04I), C04H(H04J), C04I(H04K), C04L(H04O),
 C04R(H04W), C04S(H04X), C04V(H9BA), C04W(H04), C04Z(H6AA), C051(H051),
 C057(H057), C058(H058), C05B(H05M), C05C(H0CA), C05G(H8AA), C05H(H05Q),
 C05I(H05R), C05J(H05S), C05M(H05U), C05P(H9AA), C05Q(H1CA), C05R(H05W),
 C05S(H0BA), C05T(H05X), C05U(H1BA), C05V(H2BA), C05W(H3BA), C063(H063),
 C064(H064), C066(H066), C067(H067), C068(H068), C06A(H06E), C06B(H06F),
 C06D(H06H), C06E(H06I), C06F(H06), C06G(H2CA), C06H(H06J), C06L(H06O),
 C06N(H4BA), C06P(H3CA), C06Q(H4CA), C06T(H06X), C06V(H5BA), C06W(H5CA),
 C06X(H6BA), C074(H074), C075(H075), C077(H077), C079(H079), C08E(H08T),
 C08W(H08W), C6(H6), C08B(H08U), C07A(H07E), C07B(H07Z), C07E(H07), C07F(H6CA),
 C07H(H07I), C07L(H7BA), C07M(H07O), C07N(H7CA), C07O(H07P), C07P(H07Q),
 C07R(H8CA), C086(H086), C087(H087), C08A(H08P), C08D(H08Q), C08G(H08S),
 C088(H088), C085(H085), C08C(H08), C08J(H9CA), C08Y(H0DA), C08Z(H08Z), C7(H7),
 C083(H083), C05N(H05), C084(H084), C090(H090), C11(H11), C13(H13), C5(H5),
 C15(H15), C46(H46), C68(H68), C72(H72), C57(H57), C69(H69), C27(H27), C70(H70)
5.d Fitted hexagon refined as free rotating group:
 C079(C08E,C08W,C6,C08B,C07Y), C08T(C088,C085,C08C,C08J,C08Y), C7(C083,C05D,
 C05N,C084,C090), C11(C13,C19,C18,C5,C15), C16(C46,C68,C72,C57,C69)
5.e Idealised Me refined as rotating group:
 C08U(H08V,H08X,H08Y), C2(H2A,H2B,H2C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Ag01 Ag 0.69391(3) 0.73845(2) 0.25658(2) 0.024 Uani 1 1 d . . . . .
Ag02 Ag 0.75902(3) 0.77357(3) 0.30441(2) 0.031 Uani 1 1 d . . . . .
Ag03 Ag 0.79613(3) 0.78181(3) 0.20142(2) 0.032 Uani 1 1 d . . . . .
Ag04 Ag 0.72939(3) 0.62901(3) 0.25644(2) 0.030 Uani 1 1 d . . . . .
Ag05 Ag 0.70950(3) 0.67668(3) 0.34051(2) 0.033 Uani 1 1 d . . . . .
Ag06 Ag 0.67819(4) 0.79099(3) 0.16937(2) 0.033 Uani 1 1 d . . . . .
Ag07 Ag 0.55833(3) 0.80359(3) 0.25255(3) 0.032 Uani 1 1 d . . . . .
Ag08 Ag 0.78745(4) 0.68968(3) 0.17377(2) 0.033 Uani 1 1 d . . . . .
Ag09 Ag 0.58243(3) 0.70543(3) 0.31169(2) 0.032 Uani 1 1 d . . . . .
Ag0A Ag 0.82940(3) 0.67127(3) 0.25845(2) 0.030 Uani 1 1 d . . . . .
Ag0B Ag 0.66136(4) 0.84753(3) 0.25655(3) 0.032 Uani 1 1 d . . . . .
Ag0C Ag 0.62611(3) 0.70555(3) 0.20911(2) 0.030 Uani 1 1 d . . . . .
Ag0D Ag 0.61199(4) 0.78660(3) 0.34160(2) 0.034 Uani 1 1 d . . . . .
Ag0E Ag 0.64926(3) 0.53294(3) 0.18650(3) 0.035 Uani 1 1 d . . . . .
Ag0F Ag 0.82406(4) 0.68639(3) 0.37049(3) 0.036 Uani 1 1 d . . . . .
Ag0G Ag 0.98774(4) 0.68929(3) 0.32434(3) 0.037 Uani 1 1 d . . . . .
Ag0H Ag 0.73168(4) 0.61952(3) 0.14569(3) 0.037 Uani 1 1 d . . . . .
Ag0I Ag 0.92494(4) 0.73420(3) 0.23411(3) 0.038 Uani 1 1 d . . . . .
Ag0J Ag 0.59641(4) 0.90658(3) 0.17604(3) 0.039 Uani 1 1 d . . . . .
Ag0K Ag 0.60034(4) 0.60059(3) 0.28378(3) 0.037 Uani 1 1 d . . . . .
Ag0L Ag 0.45655(4) 0.99146(3) 0.24057(3) 0.042 Uani 1 1 d . . . . .
Ag0M Ag 0.49096(4) 0.88320(3) 0.32497(3) 0.049 Uani 1 1 d . . . . .
Fe0N Fe 1.16399(8) 0.65799(7) 0.37051(6) 0.036 Uani 1 1 d . . . . .
Fe0O Fe 0.62122(9) 0.40176(8) 0.15437(7) 0.048 Uani 1 1 d . . . . .
Fe0P Fe 0.33320(10) 1.14826(7) 0.21971(7) 0.051 Uani 1 1 d . . . . .
S00Q S 0.71805(12) 0.54542(9) 0.24287(8) 0.032 Uani 1 1 d . . . . .
S00R S 0.94630(11) 0.64560(9) 0.27257(8) 0.030 Uani 1 1 d . . . . .
S00S S 0.49158(12) 0.66644(10) 0.32324(9) 0.036 Uani 1 1 d . . . . .
S00T S 0.84793(12) 0.76729(10) 0.34428(8) 0.033 Uani 1 1 d . . . . .
S00U S 0.60619(12) 0.63981(9) 0.17239(8) 0.032 Uani 1 1 d . . . . .
S00V S 0.85312(12) 0.60892(10) 0.13003(8) 0.036 Uani 1 1 d . . . . .
S00W S 0.59162(13) 0.94300(9) 0.24529(9) 0.036 Uani 1 1 d . . . . .
S00X S 0.45740(12) 0.89021(10) 0.25451(10) 0.038 Uani 1 1 d . . . . .
P00Y P 1.03602(12) 0.60993(10) 0.37816(8) 0.032 Uani 1 1 d . . . . .
S00Z S 0.61191(13) 0.85242(10) 0.11592(9) 0.038 Uani 1 1 d . . . . .
P010 P 1.05716(13) 0.74907(10) 0.30491(9) 0.034 Uani 1 1 d . . . . .
S011 S 0.88525(14) 0.82066(11) 0.19471(10) 0.042 Uani 1 1 d . . . . .
S012 S 0.78667(13) 0.61131(10) 0.38664(9) 0.039 Uani 1 1 d . . . . .
S013 S 0.53956(15) 0.86407(12) 0.39031(10) 0.047 Uani 1 1 d . . . . .
P014 P 0.53649(13) 0.51360(11) 0.21552(9) 0.037 Uani 1 1 d . . . . .
P015 P 0.41552(14) 1.02841(11) 0.16742(10) 0.039 Uani 1 1 d . . . . .
P016 P 0.74235(13) 0.46223(10) 0.13354(9) 0.037 Uani 1 1 d . . . . .
P017 P 0.40122(17) 1.05878(11) 0.30308(11) 0.047 Uani 1 1 d . . . . .
C018 C 0.5067(6) 0.7300(5) 0.1467(4) 0.043 Uani 1 1 d . U . . .
H01A H 0.529510 0.751320 0.154575 0.052 Uiso 1 1 calc R . . . .
H01B H 0.473087 0.721718 0.176512 0.052 Uiso 1 1 calc R . . . .
C019 C 1.1058(6) 0.5003(5) 0.3570(4) 0.046 Uani 1 1 d . U . . .
H019 H 1.149295 0.504727 0.352635 0.055 Uiso 1 1 calc R . . . .
C01A C 1.0416(5) 0.5444(4) 0.3709(4) 0.038 Uani 1 1 d . U . . .
C01B C 0.9814(6) 0.5517(5) 0.2331(4) 0.046 Uani 1 1 d . U . . .
H01C H 0.971126 0.536275 0.266505 0.056 Uiso 1 1 calc R . . . .
H01D H 0.936471 0.567085 0.224346 0.056 Uiso 1 1 calc R . . . .
C01C C 0.7574(7) 0.8699(5) 0.3666(5) 0.054 Uani 1 1 d . U . . .
H01E H 0.791729 0.882339 0.340243 0.065 Uiso 1 1 calc R . . . .
H01F H 0.724330 0.864582 0.353009 0.065 Uiso 1 1 calc R . . . .
C01D C 0.9791(6) 0.5353(5) 0.3760(4) 0.042 Uani 1 1 d . U . . .
H01G H 0.934906 0.563891 0.384024 0.050 Uiso 1 1 calc R . . . .
C01E C 1.0103(5) 0.5958(4) 0.2297(4) 0.040 Uani 1 1 d . U . . .
C01F C 1.1091(6) 0.7319(4) 0.3458(4) 0.040 Uani 1 1 d . U . . .
C01G C 1.0799(6) 0.5718(5) 0.2427(4) 0.045 Uani 1 1 d . U . . .
H01H H 1.071466 0.556959 0.276343 0.054 Uiso 1 1 calc R . . . .
H01I H 1.100308 0.599659 0.239258 0.054 Uiso 1 1 calc R . . . .
C01H C 0.4664(6) 0.7624(5) 0.1098(4) 0.045 Uani 1 1 d . U . . .
H01J H 0.429917 0.796513 0.123352 0.054 Uiso 1 1 calc R . . . .
C01I C 0.9359(6) 0.6663(5) 0.4550(4) 0.043 Uani 1 1 d . U . . .
H01K H 0.927751 0.695475 0.431899 0.051 Uiso 1 1 calc R . . . .
C01J C 0.5378(6) 0.4674(5) 0.1794(4) 0.049 Uani 1 1 d . U . . .
C01K C 0.9801(6) 0.4858(5) 0.3695(4) 0.042 Uani 1 1 d . U . . .
H01L H 0.937073 0.480479 0.374075 0.051 Uiso 1 1 calc R . . . .
C01L C 1.1534(6) 0.7818(5) 0.2276(4) 0.049 Uani 1 1 d . U . . .
H01M H 1.144030 0.809818 0.246401 0.058 Uiso 1 1 calc R . . . .
C01M C 0.8328(6) 0.4992(5) 0.2774(4) 0.044 Uani 1 1 d . U . . .
H01N H 0.824300 0.534914 0.286383 0.052 Uiso 1 1 calc R . . . .
H01O H 0.861367 0.495794 0.243513 0.052 Uiso 1 1 calc R . . . .
C01N C 0.7059(7) 0.9664(5) 0.1788(5) 0.056 Uani 1 1 d . U . . .
H01P H 0.678887 0.977179 0.155085 0.067 Uiso 1 1 calc R . . . .
H01Q H 0.733048 0.927567 0.177673 0.067 Uiso 1 1 calc R . . . .
C01O C 0.7620(5) 0.4937(4) 0.2837(4) 0.039 Uani 1 1 d . U . . .
C01P C 0.4528(6) 0.5684(5) 0.2178(4) 0.045 Uani 1 1 d . U . . .
C01Q C 0.7972(6) 0.8166(5) 0.3906(4) 0.047 Uani 1 1 d . U . . .
C01R C 1.0816(6) 0.7253(5) 0.3963(4) 0.044 Uani 1 1 d . U . . .
H01R H 1.034101 0.728251 0.412977 0.053 Uiso 1 1 calc R . . . .
C01S C 1.1213(6) 0.7443(5) 0.2450(4) 0.045 Uani 1 1 d . U . . .
C01T C 0.4331(5) 0.6099(5) 0.2465(4) 0.042 Uani 1 1 d . U . . .
H01T H 0.463069 0.608017 0.264604 0.051 Uiso 1 1 calc R . . . .
C01U C 1.1773(5) 0.6024(4) 0.3282(4) 0.040 Uani 1 1 d . U . . .
H01U H 1.168834 0.609193 0.297829 0.048 Uiso 1 1 calc R . . . .
C01V C 0.7392(7) 1.1731(5) -0.0375(4) 0.053 Uani 1 1 d . U . . .
H01W H 0.734252 1.206967 -0.054548 0.064 Uiso 1 1 calc R . . . .
C01W C 0.5251(6) 0.6453(5) 0.1160(4) 0.044 Uani 1 1 d . U . . .
H01S H 0.491470 0.637795 0.146187 0.053 Uiso 1 1 calc R . . . .
H01V H 0.559984 0.610751 0.103429 0.053 Uiso 1 1 calc R . . . .
C01X C 1.0343(6) 0.5077(5) 0.2002(4) 0.048 Uani 1 1 d . U . . .
H01X H 1.014931 0.478900 0.203399 0.057 Uiso 1 1 calc R . . . .
C01Y C 0.8641(6) 0.4705(5) 0.1377(4) 0.044 Uani 1 1 d . U . . .
H01Y H 0.841159 0.507448 0.130854 0.053 Uiso 1 1 calc R . . . .
C01Z C 0.5633(6) 0.6779(4) 0.1254(4) 0.039 Uani 1 1 d . U . . .
C020 C 0.7162(7) 1.1711(5) 0.0124(4) 0.049 Uani 1 1 d . U . . .
C021 C 1.1266(6) 0.5991(4) 0.3731(4) 0.040 Uani 1 1 d . U . . .
C022 C 0.7097(6) 0.8200(5) 0.0306(4) 0.049 Uani 1 1 d . U . . .
H02A H 0.673127 0.811008 0.024154 0.059 Uiso 1 1 calc R . . . .
H02B H 0.736485 0.788921 0.048391 0.059 Uiso 1 1 calc R . . . .
C023 C 0.3101(7) 1.0065(5) 0.1443(5) 0.053 Uani 1 1 d . U . . .
H023 H 0.276281 1.038303 0.158827 0.064 Uiso 1 1 calc R . . . .
C024 C 0.9873(5) 0.6174(4) 0.4411(4) 0.038 Uani 1 1 d . U . . .
C025 C 0.4797(6) 1.0443(5) 0.1146(4) 0.047 Uani 1 1 d . U . . .
C026 C 0.5198(6) 0.4827(5) 0.2762(4) 0.046 Uani 1 1 d . U . . .
C027 C 0.6925(6) 0.3818(5) 0.1914(5) 0.051 Uani 1 1 d . U . . .
H027 H 0.683965 0.396037 0.220555 0.062 Uiso 1 1 calc R . . . .
C028 C 1.0470(6) 0.5328(5) 0.1483(4) 0.048 Uani 1 1 d . U . . .
H02C H 1.080627 0.504964 0.125918 0.058 Uiso 1 1 calc R . . . .
H02D H 1.001830 0.548412 0.139862 0.058 Uiso 1 1 calc R . . . .
C029 C 0.6556(7) 0.9788(5) 0.2281(5) 0.051 Uani 1 1 d . U . . .
C02A C 0.5405(6) 1.0461(5) 0.1194(4) 0.047 Uani 1 1 d . U . . .
H02E H 0.547827 1.039202 0.150125 0.057 Uiso 1 1 calc R . . . .
C02B C 1.2425(6) 0.5939(5) 0.3364(4) 0.047 Uani 1 1 d . U . . .
H02F H 1.284662 0.594988 0.312653 0.056 Uiso 1 1 calc R . . . .
C02C C 0.5711(6) 0.4670(5) 0.2987(4) 0.048 Uani 1 1 d . U . . .
H02G H 0.614420 0.472682 0.282472 0.058 Uiso 1 1 calc R . . . .
C02D C 1.0234(6) 0.6206(5) 0.1781(4) 0.046 Uani 1 1 d . U . . .
H02H H 1.042903 0.649004 0.174951 0.055 Uiso 1 1 calc R . . . .
H02I H 0.978347 0.636757 0.169547 0.055 Uiso 1 1 calc R . . . .
C02E C 0.7188(6) 0.5001(4) 0.3357(4) 0.042 Uani 1 1 d . U . . .
H02J H 0.672259 0.497348 0.340322 0.050 Uiso 1 1 calc R . . . .
H02K H 0.710403 0.535689 0.344791 0.050 Uiso 1 1 calc R . . . .
C02F C 0.6317(6) 0.9162(5) 0.0332(4) 0.046 Uani 1 1 d . U . . .
H02L H 0.609427 0.947812 0.052389 0.055 Uiso 1 1 calc R . . . .
H02M H 0.593742 0.908189 0.027569 0.055 Uiso 1 1 calc R . . . .
C02G C 1.1825(6) 0.7254(4) 0.3370(4) 0.042 Uani 1 1 d . U . . .
H02N H 1.215290 0.727560 0.306625 0.051 Uiso 1 1 calc R . . . .
C02H C 0.8872(6) 0.4012(5) 0.2949(4) 0.048 Uani 1 1 d . U . . .
H02O H 0.916766 0.396935 0.261263 0.057 Uiso 1 1 calc R . . . .
H02P H 0.913363 0.373135 0.315196 0.057 Uiso 1 1 calc R . . . .
C02I C 1.0771(6) 0.5758(5) 0.1442(4) 0.048 Uani 1 1 d . U . . .
H02Q H 1.086115 0.591540 0.110554 0.057 Uiso 1 1 calc R . . . .
C02J C 0.4092(6) 0.5718(5) 0.1907(4) 0.048 Uani 1 1 d . U . . .
H02R H 0.421517 0.544294 0.170553 0.058 Uiso 1 1 calc R . . . .
C02K C 0.4846(6) 0.6775(5) 0.0793(4) 0.043 Uani 1 1 d . U . . .
H02S H 0.460163 0.656260 0.072582 0.051 Uiso 1 1 calc R . . . .
C02L C 0.4284(6) 0.9443(5) 0.1227(4) 0.050 Uani 1 1 d . U . . .
H02T H 0.476402 0.932306 0.122720 0.060 Uiso 1 1 calc R . . . .
C02M C 0.2894(7) 0.9758(5) 0.1250(5) 0.054 Uani 1 1 d . U . . .
H02U H 0.241025 0.986877 0.125935 0.065 Uiso 1 1 calc R . . . .
C02N C 0.4302(6) 0.7303(5) 0.0985(4) 0.046 Uani 1 1 d . U . . .
H02V H 0.405353 0.750876 0.074445 0.056 Uiso 1 1 calc R . . . .
H02W H 0.394608 0.723553 0.127769 0.056 Uiso 1 1 calc R . . . .
C02O C 1.1075(6) 0.4517(5) 0.3495(4) 0.049 Uani 1 1 d . U . . .
H02X H 1.151330 0.423187 0.339652 0.059 Uiso 1 1 calc R . . . .
C02P C 0.6836(7) 1.2003(5) 0.1796(5) 0.056 Uani 1 1 d . U . . .
H7AA H 0.650224 1.206057 0.210353 0.067 Uiso 1 1 calc R . . . .
C02Q C 0.5805(7) 1.0695(5) 0.0348(5) 0.052 Uani 1 1 d . U . . .
H02Y H 0.614496 1.077904 0.007629 0.063 Uiso 1 1 calc R . . . .
C02R C 0.4643(6) 0.6356(5) 0.3843(4) 0.051 Uani 1 1 d . U . . .
C02S C 1.0434(6) 0.4450(5) 0.3566(4) 0.044 Uani 1 1 d . U . . .
H02Z H 1.043989 0.411160 0.352421 0.053 Uiso 1 1 calc R . . . .
C02T C 0.7577(6) 0.4803(5) 0.0700(4) 0.047 Uani 1 1 d . U . . .
C02U C 0.7768(6) 0.4387(4) 0.2692(4) 0.044 Uani 1 1 d . U . . .
H02 H 0.804773 0.435215 0.235157 0.053 Uiso 1 1 calc R . . . .
H H 0.731519 0.434307 0.273011 0.053 Uiso 1 1 calc R . . . .
C02V C 1.1334(6) 0.7053(5) 0.2170(4) 0.046 Uani 1 1 d . U . . .
H0AA H 1.110040 0.680255 0.229940 0.055 Uiso 1 1 calc R . . . .
C02W C 0.8485(7) 0.8245(5) 0.4118(5) 0.055 Uani 1 1 d . U . . .
H1AA H 0.883500 0.837158 0.386246 0.066 Uiso 1 1 calc R . . . .
HA H 0.874495 0.790249 0.426644 0.066 Uiso 1 1 calc R . . . .
C02X C 0.3788(7) 0.8709(6) 0.2684(5) 0.058 Uani 1 1 d . U . . .
C02Y C 0.8165(7) 0.8463(5) -0.0066(4) 0.054 Uani 1 1 d . U . . .
H2AA H 0.844399 0.815807 0.011002 0.065 Uiso 1 1 calc R . . . .
HB H 0.849122 0.853811 -0.037300 0.065 Uiso 1 1 calc R . . . .
C02Z C 0.5914(7) 1.0578(5) 0.0803(4) 0.051 Uani 1 1 d . U . . .
H3AA H 0.633533 1.057880 0.084313 0.061 Uiso 1 1 calc R . . . .
C030 C 0.7393(7) 0.9407(5) -0.0046(4) 0.051 Uani 1 1 d . U . . .
H03A H 0.771544 0.949222 -0.035052 0.062 Uiso 1 1 calc R . . . .
H03B H 0.716542 0.972568 0.014376 0.062 Uiso 1 1 calc R . . . .
C031 C 1.0139(6) 0.8205(5) 0.3083(4) 0.045 Uani 1 1 d . U . . .
C032 C 0.8738(6) 0.4556(4) 0.3091(4) 0.044 Uani 1 1 d . U . . .
H032 H 0.919929 0.459490 0.304916 0.053 Uiso 1 1 calc R . . . .
C033 C 0.8318(6) 0.4354(5) 0.1399(4) 0.046 Uani 1 1 d . U . . .
C034 C 0.9491(9) 0.8162(8) 0.1343(6) 0.084 Uani 1 1 d . U . . .
C035 C 0.5171(6) 0.4219(5) 0.1923(5) 0.055 Uani 1 1 d . U . . .
H035 H 0.497523 0.409723 0.224020 0.066 Uiso 1 1 calc R . . . .
C036 C 0.8881(6) 0.6212(5) 0.0649(4) 0.050 Uani 1 1 d . U . . .
C037 C 1.2338(6) 0.5835(5) 0.3861(4) 0.045 Uani 1 1 d . U . . .
H037 H 1.269473 0.574938 0.401519 0.054 Uiso 1 1 calc R . . . .
C038 C 0.6810(7) 0.3353(5) 0.1868(5) 0.058 Uani 1 1 d . U . . .
H038 H 0.664154 0.312738 0.212351 0.070 Uiso 1 1 calc R . . . .
C039 C 0.7596(7) 0.8322(5) -0.0161(4) 0.052 Uani 1 1 d . U . . .
H039 H 0.783197 0.799929 -0.035221 0.062 Uiso 1 1 calc R . . . .
C03A C 0.4075(7) 0.6797(6) 0.4155(4) 0.057 Uani 1 1 d . U . . .
H03C H 0.367566 0.698071 0.401459 0.068 Uiso 1 1 calc R . . . .
H03D H 0.427274 0.706309 0.417308 0.068 Uiso 1 1 calc R . . . .
C03B C 0.9582(7) 0.2927(6) 0.4280(5) 0.062 Uani 1 1 d . U . . .
C03C C 0.7055(7) 1.2061(5) 0.0931(5) 0.054 Uani 1 1 d . U . . .
C03D C 0.7193(6) 0.4036(5) 0.1438(4) 0.050 Uani 1 1 d . U . . .
C03E C 0.9329(7) 0.3631(5) 0.1580(5) 0.056 Uani 1 1 d . U . . .
H03E H 0.956334 0.326144 0.164773 0.067 Uiso 1 1 calc R . . . .
C03F C 0.7291(7) 1.1199(5) 0.0341(5) 0.050 Uani 1 1 d . U . . .
H03W H 0.717849 1.115594 0.067991 0.060 Uiso 1 1 calc R . . . .
C03G C 0.6956(7) 0.9616(5) 0.2655(5) 0.053 Uani 1 1 d . U . . .
H03F H 0.722547 0.922663 0.265344 0.064 Uiso 1 1 calc R . . . .
H03G H 0.661749 0.969455 0.297716 0.064 Uiso 1 1 calc R . . . .
C03H C 0.9310(6) 0.4525(5) 0.1455(4) 0.048 Uani 1 1 d . U . . .
H03H H 0.952800 0.477463 0.143577 0.058 Uiso 1 1 calc R . . . .
C03I C 0.8085(6) 0.4466(6) 0.0353(4) 0.055 Uani 1 1 d . U . . .
H03I H 0.835905 0.411668 0.044697 0.066 Uiso 1 1 calc R . . . .
C03J C 0.7535(8) 1.2898(5) 0.0174(5) 0.060 Uani 1 1 d . U . . .
H03Y H 0.778748 1.271621 0.040120 0.072 Uiso 1 1 calc R . . . .
C03K C 1.1969(6) 0.7154(5) 0.3817(4) 0.044 Uani 1 1 d . U . . .
H03K H 1.240661 0.710646 0.386493 0.053 Uiso 1 1 calc R . . . .
C03L C 0.6823(6) 0.9278(5) -0.0151(4) 0.048 Uani 1 1 d . U . . .
H03L H 0.655120 0.958903 -0.033206 0.058 Uiso 1 1 calc R . . . .
C03M C 0.3805(7) 0.6547(6) 0.4667(5) 0.059 Uani 1 1 d . U . . .
H03M H 0.343519 0.683077 0.488099 0.070 Uiso 1 1 calc R . . . .
C03N C 0.4078(7) 0.9141(5) 0.1026(5) 0.055 Uani 1 1 d . U . . .
H03N H 0.442233 0.882841 0.087558 0.066 Uiso 1 1 calc R . . . .
C03O C 0.9979(6) 0.5755(5) 0.4758(4) 0.041 Uani 1 1 d . U . . .
H03O H 1.033306 0.541777 0.466989 0.050 Uiso 1 1 calc R . . . .
C03P C 0.6748(6) 0.8680(4) 0.0602(4) 0.043 Uani 1 1 d . U . . .
C03Q C 0.3822(6) 0.9908(5) 0.1427(4) 0.050 Uani 1 1 d . U . . .
C03R C 1.1047(6) 0.4846(5) 0.2125(4) 0.054 Uani 1 1 d . U . . .
H03J H 1.097346 0.468033 0.245528 0.065 Uiso 1 1 calc R . . . .
H03P H 1.139090 0.456501 0.190577 0.065 Uiso 1 1 calc R . . . .
C03S C 1.2012(7) 0.7772(6) 0.1805(4) 0.056 Uani 1 1 d . U . . .
H03S H 1.226035 0.801340 0.167829 0.068 Uiso 1 1 calc R . . . .
C03T C 0.7466(7) 0.9922(5) 0.2539(5) 0.056 Uani 1 1 d . U . . .
H03T H 0.773407 0.981036 0.278130 0.067 Uiso 1 1 calc R . . . .
C03U C 0.7192(6) 0.5319(6) 0.0553(4) 0.055 Uani 1 1 d . U . . .
H03U H 0.685672 0.556293 0.078437 0.066 Uiso 1 1 calc R . . . .
C03V C 0.7157(7) 0.9123(5) 0.4040(5) 0.058 Uani 1 1 d . U . . .
H03V H 0.690566 0.946857 0.388288 0.070 Uiso 1 1 calc R . . . .
C03W C 0.6123(7) 1.0391(5) 0.2303(5) 0.058 Uani 1 1 d . U . . .
H03Q H 0.583996 1.050624 0.207341 0.069 Uiso 1 1 calc R . . . .
H03R H 0.579297 1.046798 0.262778 0.069 Uiso 1 1 calc R . . . .
C03X C 1.2107(7) 0.7383(5) 0.1543(4) 0.056 Uani 1 1 d . U . . .
H03X H 1.241552 0.736192 0.122607 0.067 Uiso 1 1 calc R . . . .
C03Y C 0.7010(7) 1.2735(5) 0.0134(5) 0.055 Uani 1 1 d . U . . .
C03Z C 0.3336(7) 1.1422(5) 0.1518(5) 0.057 Uani 1 1 d . U . . .
H03Z H 0.365971 1.149270 0.122852 0.068 Uiso 1 1 calc R . . . .
C040 C 1.1769(7) 0.7005(6) 0.1717(5) 0.057 Uani 1 1 d . U . . .
H040 H 1.184179 0.673248 0.152759 0.069 Uiso 1 1 calc R . . . .
C041 C 0.7227(6) 0.3693(5) 0.1113(5) 0.054 Uani 1 1 d . U . . .
H041 H 0.738070 0.372853 0.077390 0.065 Uiso 1 1 calc R . . . .
C042 C 1.1621(5) 0.5880(4) 0.4088(4) 0.041 Uani 1 1 d . U . . .
H042 H 1.141244 0.584290 0.442282 0.049 Uiso 1 1 calc R . . . .
C043 C 0.3773(8) 1.1253(5) 0.2734(5) 0.060 Uani 1 1 d . U . . .
C044 C 0.5602(7) 1.2041(6) 0.0603(5) 0.061 Uani 1 1 d . U . . .
H044 H 0.588854 1.170133 0.048076 0.073 Uiso 1 1 calc R . . . .
C045 C 0.4699(7) 1.0545(5) 0.0692(4) 0.052 Uani 1 1 d . U . . .
H045 H 0.429520 1.051832 0.064708 0.062 Uiso 1 1 calc R . . . .
C046 C 0.5744(6) 0.7216(5) 0.0429(4) 0.048 Uani 1 1 d . U . . .
H046 H 0.608660 0.729120 0.012574 0.058 Uiso 1 1 calc R . . . .
C047 C 0.6597(7) 1.2142(5) 0.1390(5) 0.054 Uani 1 1 d . U . . .
H047 H 0.610110 1.229801 0.143038 0.065 Uiso 1 1 calc R . . . .
C048 C 0.9646(7) 0.4005(5) 0.1555(5) 0.055 Uani 1 1 d . U . . .
H048 H 1.009667 0.388902 0.160873 0.066 Uiso 1 1 calc R . . . .
C049 C 0.7983(7) 0.9795(5) 0.2048(5) 0.058 Uani 1 1 d . U . . .
H04A H 0.825184 0.940538 0.204112 0.070 Uiso 1 1 calc R . . . .
H04B H 0.832482 0.997967 0.197614 0.070 Uiso 1 1 calc R . . . .
C04A C 0.9580(6) 0.5821(5) 0.5230(4) 0.046 Uani 1 1 d . U . . .
H04C H 0.965111 0.553129 0.546410 0.055 Uiso 1 1 calc R . . . .
C04B C 0.5932(7) 1.2392(5) 0.0594(5) 0.057 Uani 1 1 d . U . . .
C04C C 0.3509(7) 0.6137(6) 0.4627(5) 0.059 Uani 1 1 d . U . . .
H04D H 0.333859 0.597522 0.494905 0.070 Uiso 1 1 calc R . . . .
H04E H 0.310118 0.631740 0.449507 0.070 Uiso 1 1 calc R . . . .
C04D C 0.5265(6) 0.6050(6) 0.4053(5) 0.056 Uani 1 1 d . U . . .
H04F H 0.561697 0.575686 0.385007 0.067 Uiso 1 1 calc R . . . .
H04G H 0.550160 0.629390 0.406408 0.067 Uiso 1 1 calc R . . . .
C04E C 0.5186(6) 1.0684(5) 0.0314(5) 0.053 Uani 1 1 d . U . . .
H04H H 0.509356 1.077704 0.001213 0.063 Uiso 1 1 calc R . . . .
C04F C 0.9598(7) 0.3397(6) 0.4370(5) 0.059 Uani 1 1 d . U . . .
H8BA H 1.004168 0.344454 0.427167 0.071 Uiso 1 1 calc R . . . .
C04G C 0.3713(6) 0.6536(5) 0.2495(5) 0.052 Uani 1 1 d . U . . .
H04I H 0.358376 0.681030 0.269892 0.063 Uiso 1 1 calc R . . . .
C04H C 0.8967(6) 0.6729(5) 0.5019(4) 0.047 Uani 1 1 d . U . . .
H04J H 0.861721 0.706768 0.510884 0.056 Uiso 1 1 calc R . . . .
C04I C 1.1358(6) 0.7138(5) 0.4175(4) 0.045 Uani 1 1 d . U . . .
H04K H 1.131542 0.706101 0.450674 0.054 Uiso 1 1 calc R . . . .
C04J C 0.4680(7) 0.5431(6) 0.4510(5) 0.060 Uani 1 1 d . U . . .
H04L H 0.504808 0.515272 0.429655 0.072 Uiso 1 1 calc R . . . .
H04M H 0.452602 0.525339 0.482796 0.072 Uiso 1 1 calc R . . . .
C04K C 0.8051(7) 0.8665(5) 0.4500(5) 0.056 Uani 1 1 d . U . . .
H04N H 0.838062 0.871690 0.464272 0.067 Uiso 1 1 calc R . . . .
C04L C 1.0287(6) 0.8512(5) 0.3324(4) 0.051 Uani 1 1 d . U . . .
H04O H 1.063624 0.834260 0.348870 0.061 Uiso 1 1 calc R . . . .
C04M C 1.0052(7) 0.5898(5) -0.0203(5) 0.059 Uani 1 1 d . U . . .
H04P H 1.028758 0.592304 -0.055052 0.071 Uiso 1 1 calc R . . . .
H04Q H 1.039075 0.560909 -0.005414 0.071 Uiso 1 1 calc R . . . .
C04N C 0.7429(7) 0.7983(5) 0.4302(5) 0.055 Uani 1 1 d . U . . .
H04R H 0.767421 0.763930 0.445784 0.066 Uiso 1 1 calc R . . . .
H04S H 0.710418 0.792391 0.416459 0.066 Uiso 1 1 calc R . . . .
C04O C 0.3432(7) 1.0905(5) 0.1790(5) 0.054 Uani 1 1 d . U . . .
C04P C 0.7588(6) 0.4563(5) 0.3676(4) 0.047 Uani 1 1 d . U . . .
H04T H 0.729660 0.460306 0.401763 0.056 Uiso 1 1 calc R . . . .
C04Q C 0.4328(6) 0.5948(6) 0.3799(4) 0.053 Uani 1 1 d . U . . .
H04U H 0.469454 0.566189 0.359328 0.064 Uiso 1 1 calc R . . . .
H04V H 0.393092 0.612818 0.365611 0.064 Uiso 1 1 calc R . . . .
C04R C 0.6981(7) 0.3289(6) 0.1404(5) 0.060 Uani 1 1 d . U . . .
H04W H 0.694269 0.300784 0.128146 0.072 Uiso 1 1 calc R . . . .
C04S C 0.3473(6) 0.6161(5) 0.1936(5) 0.053 Uani 1 1 d . U . . .
H04X H 0.317283 0.618215 0.175400 0.064 Uiso 1 1 calc R . . . .
C04T C 0.8848(7) 0.6202(5) -0.0318(5) 0.058 Uani 1 1 d . U . . .
H04Y H 0.901916 0.624625 -0.067030 0.070 Uiso 1 1 calc R . . . .
HC H 0.841946 0.610641 -0.023136 0.070 Uiso 1 1 calc R . . . .
C04U C 0.6146(6) 0.6903(5) 0.0796(4) 0.044 Uani 1 1 d . U . . .
H04Z H 0.651467 0.656631 0.066549 0.053 Uiso 1 1 calc R . . . .
HD H 0.638240 0.711712 0.086322 0.053 Uiso 1 1 calc R . . . .
C04V C 0.8302(7) 0.3314(6) 0.4637(5) 0.060 Uani 1 1 d . U . . .
H9BA H 0.784815 0.328333 0.473080 0.072 Uiso 1 1 calc R . . . .
C04W C 0.4575(6) 0.4744(5) 0.2998(5) 0.053 Uani 1 1 d . U . . .
H04 H 0.422267 0.483918 0.283820 0.064 Uiso 1 1 calc R . . . .
C04X C 0.8285(6) 0.4627(5) 0.3613(4) 0.045 Uani 1 1 d . U . . .
H4AA H 0.854108 0.435755 0.382461 0.054 Uiso 1 1 calc R . . . .
HE H 0.819375 0.498609 0.370128 0.054 Uiso 1 1 calc R . . . .
C04Y C 0.3585(8) 0.8523(7) 0.3195(6) 0.071 Uani 1 1 d . U . . .
H5AA H 0.347965 0.880962 0.339896 0.086 Uiso 1 1 calc R . . . .
HF H 0.397956 0.820842 0.326667 0.086 Uiso 1 1 calc R . . . .
C04Z C 0.4257(8) 1.1371(5) 0.2302(5) 0.060 Uani 1 1 d . U . . .
H6AA H 0.470636 1.112886 0.214326 0.073 Uiso 1 1 calc R . . . .
C050 C 0.7184(6) 0.8789(5) -0.0448(4) 0.050 Uani 1 1 d . U . . .
H05A H 0.751071 0.886571 -0.075382 0.060 Uiso 1 1 calc R . . . .
H05B H 0.682411 0.869799 -0.051971 0.060 Uiso 1 1 calc R . . . .
C051 C 0.3377(7) 0.9284(5) 0.1038(5) 0.055 Uani 1 1 d . U . . .
H051 H 0.322977 0.906972 0.090858 0.066 Uiso 1 1 calc R . . . .
C052 C 0.6999(7) 0.8402(5) 0.4678(5) 0.057 Uani 1 1 d . U . . .
H052 H 0.665119 0.827497 0.494173 0.068 Uiso 1 1 calc R . . . .
C053 C 1.1472(6) 0.5519(5) 0.1574(4) 0.051 Uani 1 1 d . U . . .
H05C H 1.182654 0.524784 0.134869 0.061 Uiso 1 1 calc R . . . .
H05D H 1.166063 0.580271 0.155543 0.061 Uiso 1 1 calc R . . . .
C054 C 0.7683(7) 0.9201(5) 0.4243(5) 0.058 Uani 1 1 d . U . . .
H05E H 0.742815 0.948541 0.447109 0.070 Uiso 1 1 calc R . . . .
H05F H 0.804202 0.931074 0.398054 0.070 Uiso 1 1 calc R . . . .
C055 C 0.9078(7) 0.5694(5) 0.0428(4) 0.053 Uani 1 1 d . U . . .
H05G H 0.864894 0.560560 0.049034 0.063 Uiso 1 1 calc R . . . .
H05H H 0.941572 0.539978 0.057443 0.063 Uiso 1 1 calc R . . . .
C056 C 0.4059(7) 0.5708(6) 0.4312(5) 0.056 Uani 1 1 d . U . . .
H056 H 0.385176 0.544340 0.429689 0.067 Uiso 1 1 calc R . . . .
C057 C 0.8202(7) 0.4629(6) -0.0128(5) 0.061 Uani 1 1 d . U . . .
H057 H 0.855069 0.439193 -0.036083 0.073 Uiso 1 1 calc R . . . .
C058 C 0.3288(8) 1.2123(6) 0.2474(5) 0.065 Uani 1 1 d . U . . .
H058 H 0.296027 1.247573 0.245252 0.078 Uiso 1 1 calc R . . . .
C059 C 0.7299(6) 0.8823(5) 0.0704(4) 0.047 Uani 1 1 d . U . . .
H05I H 0.756821 0.852202 0.088851 0.056 Uiso 1 1 calc R . . . .
H05J H 0.706392 0.913896 0.089688 0.056 Uiso 1 1 calc R . . . .
C05A C 0.5376(6) 0.6891(5) 0.0326(4) 0.049 Uani 1 1 d . U . . .
H05K H 0.573205 0.655147 0.019373 0.059 Uiso 1 1 calc R . . . .
H05L H 0.512205 0.709244 0.008754 0.059 Uiso 1 1 calc R . . . .
C05B C 0.4966(7) 0.4372(6) 0.3699(5) 0.060 Uani 1 1 d . U . . .
H05M H 0.487282 0.423261 0.402174 0.072 Uiso 1 1 calc R . . . .
C05C C 0.8883(7) 0.2894(6) 0.4423(5) 0.064 Uani 1 1 d . U . . .
H0CA H 0.882506 0.258375 0.436871 0.076 Uiso 1 1 calc R . . . .
C05E C 0.7722(6) 0.4016(5) 0.3533(4) 0.046 Uani 1 1 d . U . . .
H05N H 0.726451 0.397853 0.357190 0.055 Uiso 1 1 calc R . . . .
H05O H 0.796789 0.373440 0.374332 0.055 Uiso 1 1 calc R . . . .
C05F C 0.7576(7) 0.9976(5) 0.1667(5) 0.058 Uani 1 1 d . U . . .
H05P H 0.791711 0.989649 0.134225 0.069 Uiso 1 1 calc R . . . .
C05G C 0.7580(7) 1.0741(5) 0.0085(5) 0.055 Uani 1 1 d . U . . .
H8AA H 0.763724 1.039897 0.024891 0.066 Uiso 1 1 calc R . . . .
C05H C 0.9647(6) 0.8467(5) 0.2818(4) 0.050 Uani 1 1 d . U . . .
H05Q H 0.952729 0.827492 0.264493 0.060 Uiso 1 1 calc R . . . .
C05I C 0.5616(7) 0.4425(6) 0.3453(5) 0.057 Uani 1 1 d . U . . .
H05R H 0.598936 0.429865 0.359740 0.068 Uiso 1 1 calc R . . . .
C05J C 0.4448(7) 0.4530(6) 0.3455(5) 0.062 Uani 1 1 d . U . . .
H05S H 0.400571 0.448603 0.361162 0.074 Uiso 1 1 calc R . . . .
C05K C 0.7423(8) 0.6084(7) 0.4504(5) 0.072 Uani 1 1 d . U . . .
C05L C 0.2827(7) 1.1008(5) 0.2205(5) 0.060 Uani 1 1 d . U . . .
H05T H 0.273579 1.073436 0.246838 0.072 Uiso 1 1 calc R . . . .
C05M C 0.2228(9) 1.0825(7) 0.4172(6) 0.081 Uani 1 1 d . U . . .
H05U H 0.192156 1.109283 0.438921 0.098 Uiso 1 1 calc R . . . .
C05O C 1.1327(6) 0.5261(5) 0.2083(4) 0.053 Uani 1 1 d . U . . .
H05V H 1.178214 0.510031 0.216927 0.064 Uiso 1 1 calc R . . . .
C05P C 0.4742(8) 1.3023(6) 0.0939(5) 0.068 Uani 1 1 d . U . . .
H9AA H 0.445624 1.336584 0.105561 0.081 Uiso 1 1 calc R . . . .
C05Q C 0.9013(7) 0.3797(6) 0.4591(4) 0.057 Uani 1 1 d . U . . .
H1CA H 0.906732 0.410310 0.465838 0.068 Uiso 1 1 calc R . . . .
C05R C 0.3281(6) 0.6566(5) 0.2218(4) 0.054 Uani 1 1 d . U . . .
H05W H 0.285898 0.686689 0.222728 0.065 Uiso 1 1 calc R . . . .
C05S C 0.7779(7) 1.0792(5) -0.0401(5) 0.055 Uani 1 1 d . U . . .
H0BA H 0.797995 1.048319 -0.057781 0.066 Uiso 1 1 calc R . . . .
C05T C 0.9073(6) 0.6317(5) 0.5357(4) 0.048 Uani 1 1 d . U . . .
H05X H 0.879768 0.636987 0.568027 0.058 Uiso 1 1 calc R . . . .
C05U C 0.7543(7) 1.1785(5) 0.1754(5) 0.057 Uani 1 1 d . U . . .
H1BA H 0.770640 1.170707 0.202908 0.068 Uiso 1 1 calc R . . . .
C05V C 0.7777(7) 1.1824(5) 0.0904(5) 0.054 Uani 1 1 d . U . . .
H2BA H 0.811704 1.175969 0.059940 0.065 Uiso 1 1 calc R . . . .
C05W C 0.7691(7) 1.1278(5) -0.0633(5) 0.055 Uani 1 1 d . U . . .
H3BA H 0.783234 1.131142 -0.097232 0.066 Uiso 1 1 calc R . . . .
C05X C 0.3149(8) 0.7931(7) 0.2984(6) 0.072 Uani 1 1 d . U . . .
H05Y H 0.357696 0.764981 0.305102 0.086 Uiso 1 1 calc R . . . .
HG H 0.277770 0.777207 0.306668 0.086 Uiso 1 1 calc R . . . .
C05Y C 0.4986(7) 0.5823(6) 0.4556(5) 0.059 Uani 1 1 d . U . . .
H05Z H 0.538799 0.563302 0.469829 0.070 Uiso 1 1 calc R . . . .
C05Z C 1.0999(7) 0.2539(6) 0.3901(5) 0.064 Uani 1 1 d . U . . .
C060 C 0.9426(7) 0.5756(5) -0.0126(4) 0.057 Uani 1 1 d . U . . .
H060 H 0.956693 0.541466 -0.027523 0.068 Uiso 1 1 calc R . . . .
C061 C 0.7814(6) 0.8948(5) 0.0224(4) 0.051 Uani 1 1 d . U . . .
H061 H 0.818131 0.904116 0.028943 0.061 Uiso 1 1 calc R . . . .
C062 C 0.4454(7) 0.6267(6) 0.4854(5) 0.060 Uani 1 1 d . U . . .
H06A H 0.467104 0.652868 0.485215 0.071 Uiso 1 1 calc R . . . .
H06B H 0.430384 0.612502 0.518811 0.071 Uiso 1 1 calc R . . . .
C063 C 1.1114(8) 0.2906(6) 0.3521(5) 0.066 Uani 1 1 d . U . . .
H063 H 1.075909 0.307189 0.336056 0.079 Uiso 1 1 calc R . . . .
C064 C 0.3178(8) 1.1731(5) 0.2841(5) 0.065 Uani 1 1 d . U . . .
H064 H 0.277479 1.177802 0.311328 0.078 Uiso 1 1 calc R . . . .
C065 C 0.3217(8) 1.0541(6) 0.3477(5) 0.067 Uani 1 1 d . U . . .
C066 C 1.2182(8) 0.2437(6) 0.3955(5) 0.064 Uani 1 1 d . U . . .
H066 H 1.255015 0.226739 0.410393 0.077 Uiso 1 1 calc R . . . .
C067 C 0.5485(8) 1.2893(6) 0.0747(5) 0.063 Uani 1 1 d . U . . .
H067 H 0.568147 1.315818 0.072226 0.075 Uiso 1 1 calc R . . . .
C068 C 0.8663(6) 0.3813(5) 0.1504(4) 0.048 Uani 1 1 d . U . . .
H068 H 0.844246 0.356466 0.152333 0.058 Uiso 1 1 calc R . . . .
C069 C 0.3977(8) 0.8279(6) 0.2363(6) 0.069 Uani 1 1 d . U . . .
H06C H 0.439255 0.797281 0.241691 0.083 Uiso 1 1 calc R . . . .
H06D H 0.410506 0.841721 0.202505 0.083 Uiso 1 1 calc R . . . .
C06A C 0.7824(7) 0.5120(6) -0.0263(5) 0.064 Uani 1 1 d . U . . .
H06E H 0.791354 0.523053 -0.059330 0.076 Uiso 1 1 calc R . . . .
C06B C 0.3944(8) 1.1917(5) 0.2151(5) 0.064 Uani 1 1 d . U . . .
H06F H 0.415063 1.210490 0.187763 0.077 Uiso 1 1 calc R . . . .
C06C C 0.9879(7) 0.6416(5) -0.0002(4) 0.058 Uani 1 1 d . U . . .
H06G H 1.030941 0.651219 -0.007429 0.069 Uiso 1 1 calc R . . . .
C06D C 0.9943(7) 0.9061(5) 0.3332(5) 0.059 Uani 1 1 d . U . . .
H06H H 1.003475 0.926012 0.351624 0.071 Uiso 1 1 calc R . . . .
C06E C 0.5622(6) 0.4717(5) 0.1273(5) 0.053 Uani 1 1 d . U . . .
H06I H 0.578997 0.498526 0.108003 0.064 Uiso 1 1 calc R . . . .
C06F C 0.6682(8) 1.3029(6) -0.0222(5) 0.063 Uani 1 1 d . U . . .
H06 H 0.631945 1.293412 -0.025703 0.075 Uiso 1 1 calc R . . . .
C06G C 1.0284(7) 0.2015(6) 0.4942(5) 0.066 Uani 1 1 d . U . . .
H2CA H 1.031388 0.234476 0.497387 0.079 Uiso 1 1 calc R . . . .
C06H C 0.2820(9) 1.0891(6) 0.3839(6) 0.075 Uani 1 1 d . U . . .
H06J H 0.295878 1.117630 0.385718 0.090 Uiso 1 1 calc R . . . .
C06I C 1.0279(8) 0.1918(6) 0.4505(5) 0.065 Uani 1 1 d . U . . .
C06J C 0.7038(7) 1.0527(5) 0.2553(5) 0.055 Uani 1 1 d . U . . .
H06K H 0.670046 1.060815 0.287465 0.066 Uiso 1 1 calc R . . . .
H06L H 0.736219 1.072669 0.248555 0.066 Uiso 1 1 calc R . . . .
C06K C 0.6612(7) 0.8937(5) 0.4443(5) 0.059 Uani 1 1 d . U . . .
H06M H 0.626962 0.889342 0.431109 0.070 Uiso 1 1 calc R . . . .
H06N H 0.634580 0.920733 0.468332 0.070 Uiso 1 1 calc R . . . .
C06L C 0.5307(7) 0.3977(6) 0.1501(5) 0.060 Uani 1 1 d . U . . .
H06O H 0.523477 0.365854 0.148763 0.071 Uiso 1 1 calc R . . . .
C06M C 0.5191(6) 0.7751(5) 0.0634(4) 0.047 Uani 1 1 d . U . . .
H06P H 0.543219 0.796101 0.070242 0.056 Uiso 1 1 calc R . . . .
H06Q H 0.493563 0.796450 0.039864 0.056 Uiso 1 1 calc R . . . .
C06N C 0.8013(8) 1.1681(5) 0.1310(5) 0.061 Uani 1 1 d . U . . .
H4BA H 0.850487 1.150906 0.127800 0.073 Uiso 1 1 calc R . . . .
C06O C 0.9297(7) 0.6855(5) -0.0194(5) 0.061 Uani 1 1 d . U . . .
H06R H 0.915455 0.719024 -0.004110 0.073 Uiso 1 1 calc R . . . .
H06S H 0.948965 0.692175 -0.054218 0.073 Uiso 1 1 calc R . . . .
C06P C 0.8349(7) 0.3773(6) 0.4720(5) 0.059 Uani 1 1 d . U . . .
H3CA H 0.793969 0.406191 0.486145 0.071 Uiso 1 1 calc R . . . .
C06Q C 1.0221(8) 0.1437(6) 0.4483(6) 0.070 Uani 1 1 d . U . . .
H4CA H 1.019626 0.135985 0.419200 0.084 Uiso 1 1 calc R . . . .
C06R C 0.9531(7) 0.6347(5) 0.0555(4) 0.057 Uani 1 1 d . U . . .
H06T H 0.987568 0.605919 0.070015 0.068 Uiso 1 1 calc R . . . .
H06U H 0.940102 0.668266 0.070319 0.068 Uiso 1 1 calc R . . . .
C06S C 0.8344(7) 0.6646(5) 0.0440(4) 0.057 Uani 1 1 d . U . . .
H06V H 0.820043 0.698457 0.058722 0.068 Uiso 1 1 calc R . . . .
H06W H 0.791799 0.655210 0.050685 0.068 Uiso 1 1 calc R . . . .
C06T C 0.2685(8) 1.1799(6) 0.1754(5) 0.065 Uani 1 1 d . U . . .
H06X H 0.249151 1.216296 0.164973 0.078 Uiso 1 1 calc R . . . .
C06U C 0.3186(8) 0.9194(6) 0.2568(6) 0.071 Uani 1 1 d . U . . .
H06Y H 0.332509 0.931779 0.222729 0.086 Uiso 1 1 calc R . . . .
HH H 0.306689 0.948939 0.276606 0.086 Uiso 1 1 calc R . . . .
C06V C 0.4877(8) 1.2160(6) 0.0781(5) 0.069 Uani 1 1 d . U . . .
H5BA H 0.467628 1.190382 0.078396 0.082 Uiso 1 1 calc R . . . .
C06W C 1.1714(7) 0.3050(6) 0.3358(5) 0.062 Uani 1 1 d . U . . .
H5CA H 1.175829 0.330361 0.309344 0.074 Uiso 1 1 calc R . . . .
C06X C 0.4435(8) 1.2670(6) 0.0959(5) 0.071 Uani 1 1 d . U . . .
H6BA H 0.393711 1.275947 0.108852 0.086 Uiso 1 1 calc R . . . .
C06Y C 0.6157(9) 0.6263(8) 0.5326(5) 0.082 Uani 1 1 d . U . . .
H06Z H 0.577935 0.643100 0.516487 0.099 Uiso 1 1 calc R . . . .
HI H 0.592829 0.623227 0.567407 0.099 Uiso 1 1 calc R . . . .
B06Z B 0.6802(7) 1.2232(5) 0.0446(5) 0.045 Uani 1 1 d . . . . .
C070 C 0.9367(10) 0.7857(9) 0.1025(7) 0.102 Uani 1 1 d . U . . .
H07A H 0.886027 0.801695 0.103590 0.122 Uiso 1 1 calc R . . . .
H07B H 0.945220 0.748581 0.116737 0.122 Uiso 1 1 calc R . . . .
C071 C 0.2902(8) 0.8369(7) 0.3302(6) 0.076 Uani 1 1 d . U . . .
H071 H 0.275262 0.824028 0.364400 0.092 Uiso 1 1 calc R . . . .
C072 C 0.8672(7) 0.6713(5) -0.0104(5) 0.060 Uani 1 1 d . U . . .
H072 H 0.831678 0.700803 -0.024197 0.072 Uiso 1 1 calc R . . . .
C073 C 0.6634(7) 1.0698(5) 0.2180(5) 0.059 Uani 1 1 d . U . . .
H073 H 0.635534 1.109037 0.218847 0.071 Uiso 1 1 calc R . . . .
C074 C 0.7298(7) 0.5477(6) 0.0071(5) 0.061 Uani 1 1 d . U . . .
H074 H 0.701927 0.582070 -0.003051 0.073 Uiso 1 1 calc R . . . .
C075 C 0.9345(7) 0.9022(5) 0.2824(5) 0.057 Uani 1 1 d . U . . .
H075 H 0.902784 0.920572 0.263726 0.069 Uiso 1 1 calc R . . . .
C076 C 0.7136(7) 1.0578(5) 0.1683(5) 0.059 Uani 1 1 d . U . . .
H07C H 0.745550 1.078389 0.159698 0.070 Uiso 1 1 calc R . . . .
H07D H 0.686236 1.068523 0.144767 0.070 Uiso 1 1 calc R . . . .
C077 C 1.0248(8) 0.1653(7) 0.5335(6) 0.073 Uani 1 1 d . U . . .
H077 H 1.024613 0.173548 0.563217 0.088 Uiso 1 1 calc R . . . .
C078 C 0.8184(6) 0.3946(5) 0.3005(4) 0.046 Uani 1 1 d . U . . .
H078 H 0.827677 0.358515 0.291030 0.055 Uiso 1 1 calc R . . . .
C079 C 1.3069(6) 0.4811(4) 0.2457(4) 0.088 Uani 1 1 d . U . . .
H079 H 1.299622 0.518139 0.239890 0.105 Uiso 1 1 calc R . . . .
C08E C 1.2969(5) 0.4581(5) 0.2921(4) 0.081 Uani 1 1 d G U . . .
H08T H 1.282621 0.479409 0.318119 0.097 Uiso 1 1 calc R . . . .
C08W C 1.3076(6) 0.4039(5) 0.3006(3) 0.093 Uani 1 1 d G U . . .
H08W H 1.300670 0.388199 0.332326 0.111 Uiso 1 1 calc R . . . .
C6 C 1.3284(6) 0.3727(4) 0.2625(5) 0.102 Uani 1 1 d G U . . .
H6 H 1.335720 0.335718 0.268305 0.122 Uiso 1 1 calc R . . . .
C08B C 1.3385(6) 0.3958(5) 0.2161(4) 0.098 Uani 1 1 d G U . . .
H08U H 1.352721 0.374446 0.190075 0.118 Uiso 1 1 calc R . . . .
C07Y C 1.3278(6) 0.4499(5) 0.2076(3) 0.090 Uani 1 1 d G U . . .
C07A C 0.2076(10) 1.0379(7) 0.4193(6) 0.085 Uani 1 1 d . U . . .
H07E H 0.170157 1.031376 0.444730 0.101 Uiso 1 1 calc R . . . .
C07B C 0.6843(8) 1.3441(6) -0.0524(5) 0.068 Uani 1 1 d . U . . .
H07Z H 0.660601 1.361645 -0.076038 0.081 Uiso 1 1 calc R . . . .
C07C C 0.4763(14) 0.8497(13) 0.4420(9) 0.153 Uani 1 1 d D U . . .
C07D C 0.6621(9) 0.5702(8) 0.5147(5) 0.085 Uani 1 1 d . U . . .
H07F H 0.632098 0.547900 0.520874 0.101 Uiso 1 1 calc R . . . .
C07E C 0.7361(9) 1.3592(6) -0.0470(5) 0.071 Uani 1 1 d . U . . .
H07 H 0.748901 1.387324 -0.067169 0.085 Uiso 1 1 calc R . . . .
C07F C 1.1554(7) 0.2299(6) 0.4111(5) 0.064 Uani 1 1 d . U . . .
H6CA H 1.151555 0.203439 0.436590 0.077 Uiso 1 1 calc R . . . .
C07G C 0.2332(8) 0.8834(7) 0.3184(6) 0.076 Uani 1 1 d . U . . .
H07G H 0.190181 0.874263 0.325972 0.091 Uiso 1 1 calc R . . . .
H07H H 0.221865 0.912788 0.338219 0.091 Uiso 1 1 calc R . . . .
C07H C 0.2370(8) 1.1533(6) 0.2179(5) 0.068 Uani 1 1 d . U . . .
H07I H 0.192475 1.168876 0.240395 0.082 Uiso 1 1 calc R . . . .
C07I C 0.2526(8) 0.9014(7) 0.2681(6) 0.076 Uani 1 1 d . U . . .
H07J H 0.211693 0.932416 0.261199 0.092 Uiso 1 1 calc R . . . .
C07J C 0.7520(7) 0.8501(6) 0.4878(5) 0.060 Uani 1 1 d . U . . .
H07K H 0.725047 0.878098 0.510977 0.071 Uiso 1 1 calc R . . . .
H07L H 0.775913 0.816883 0.504995 0.071 Uiso 1 1 calc R . . . .
C07K C 0.7190(9) 0.5437(8) 0.5387(6) 0.091 Uani 1 1 d . U . . .
H07M H 0.697514 0.537171 0.573284 0.110 Uiso 1 1 calc R . . . .
H07N H 0.750074 0.508760 0.525299 0.110 Uiso 1 1 calc R . . . .
C07L C 0.7686(8) 1.3328(6) -0.0120(5) 0.064 Uani 1 1 d . U . . .
H7BA H 0.802636 1.344201 -0.007627 0.077 Uiso 1 1 calc R . . . .
C07M C 0.5565(7) 0.4289(6) 0.1109(5) 0.059 Uani 1 1 d . U . . .
H07O H 0.568312 0.422326 0.078305 0.071 Uiso 1 1 calc R . . . .
C07N C 1.0746(9) 0.1759(7) 0.3375(6) 0.077 Uani 1 1 d . U . . .
H7CA H 1.114780 0.158843 0.349191 0.092 Uiso 1 1 calc R . . . .
C07O C 0.3042(9) 1.0112(6) 0.3503(6) 0.080 Uani 1 1 d . U . . .
H07P H 0.333270 0.985530 0.327246 0.096 Uiso 1 1 calc R . . . .
C07P C 0.9470(7) 0.9311(6) 0.3074(5) 0.059 Uani 1 1 d . U . . .
H07Q H 0.923383 0.968741 0.307305 0.071 Uiso 1 1 calc R . . . .
C07R C 1.2235(8) 0.2828(6) 0.3577(5) 0.064 Uani 1 1 d . U . . .
H8CA H 1.263475 0.293693 0.347437 0.077 Uiso 1 1 calc R . . . .
C07S C 0.6968(9) 0.5766(8) 0.4610(5) 0.082 Uani 1 1 d . U . . .
H07R H 0.725513 0.540901 0.448553 0.098 Uiso 1 1 calc R . . . .
H07S H 0.659479 0.594221 0.444624 0.098 Uiso 1 1 calc R . . . .
C07T C 0.7620(9) 0.5774(8) 0.5321(6) 0.087 Uani 1 1 d . U . . .
H07T H 0.798697 0.560412 0.549575 0.104 Uiso 1 1 calc R . . . .
C07U C 1.0222(8) 0.2201(7) 0.3594(6) 0.072 Uani 1 1 d . U . . .
C07V C 0.3321(8) 0.8086(7) 0.2465(6) 0.075 Uani 1 1 d . U . . .
H07V H 0.343845 0.778513 0.226851 0.090 Uiso 1 1 calc R . . . .
C07W C 1.0817(10) 0.7801(7) 0.0794(7) 0.095 Uani 1 1 d D U . . .
H07W H 1.131996 0.759374 0.079297 0.114 Uiso 1 1 calc R . . . .
C07X C 0.2761(8) 0.8591(6) 0.2336(6) 0.072 Uani 1 1 d . U . . .
H07U H 0.295568 0.872912 0.200794 0.087 Uiso 1 1 calc R . . . .
H07X H 0.234788 0.850827 0.234146 0.087 Uiso 1 1 calc R . . . .
C07Z C 0.6946(9) 0.6623(8) 0.4677(5) 0.081 Uani 1 1 d . U . . .
H07Y H 0.657490 0.677751 0.450952 0.097 Uiso 1 1 calc R . . . .
HJ H 0.722403 0.686066 0.459744 0.097 Uiso 1 1 calc R . . . .
C080 C 0.6588(9) 0.6597(8) 0.5227(6) 0.085 Uani 1 1 d . U . . .
H080 H 0.628976 0.696258 0.534062 0.102 Uiso 1 1 calc R . . . .
C081 C 0.7985(9) 0.5828(8) 0.4759(5) 0.085 Uani 1 1 d . U . . .
H08A H 0.828448 0.604744 0.469311 0.102 Uiso 1 1 calc R . . . .
H08B H 0.829285 0.546958 0.464226 0.102 Uiso 1 1 calc R . . . .
C086 C 0.2476(9) 1.0018(7) 0.3838(6) 0.084 Uani 1 1 d . U . . .
H086 H 0.235895 0.971818 0.382896 0.101 Uiso 1 1 calc R . . . .
C087 C 1.0215(8) 0.1168(7) 0.5288(6) 0.077 Uani 1 1 d . U . . .
H087 H 1.020339 0.091004 0.555162 0.092 Uiso 1 1 calc R . . . .
C089 C 0.9839(10) 0.8357(7) 0.0307(7) 0.100 Uani 1 1 d D U . . .
H08C H 0.938004 0.856979 0.024037 0.120 Uiso 1 1 calc R . . . .
H08D H 1.020869 0.832004 -0.000517 0.120 Uiso 1 1 calc R . . . .
C08A C 1.0199(8) 0.1063(7) 0.4866(6) 0.077 Uani 1 1 d . U . . .
H08P H 1.017237 0.073218 0.483353 0.093 Uiso 1 1 calc R . . . .
C08D C 1.0725(10) 0.1550(8) 0.2999(6) 0.085 Uani 1 1 d . U . . .
H08Q H 1.106089 0.121268 0.289423 0.102 Uiso 1 1 calc R . . . .
C08F C 1.0235(10) 0.7851(9) 0.1323(7) 0.099 Uani 1 1 d . U . . .
H08E H 1.026674 0.748518 0.146288 0.119 Uiso 1 1 calc R . . . .
H08F H 1.037205 0.801184 0.152903 0.119 Uiso 1 1 calc R . . . .
C08G C 0.9703(9) 0.2480(7) 0.3344(6) 0.079 Uani 1 1 d . U . . .
H08S H 0.933455 0.279443 0.347667 0.095 Uiso 1 1 calc R . . . .
C08K C 0.9371(10) 0.8692(9) 0.1077(7) 0.104 Uani 1 1 d . U . . .
H08G H 0.935870 0.894931 0.127598 0.125 Uiso 1 1 calc R . . . .
H08H H 0.890279 0.881827 0.101630 0.125 Uiso 1 1 calc R . . . .
C08M C 1.0519(9) 0.7558(9) 0.0539(7) 0.105 Uani 1 1 d D U . . .
H08I H 1.085513 0.748650 0.021578 0.125 Uiso 1 1 calc R . . . .
H08J H 1.053031 0.720652 0.070772 0.125 Uiso 1 1 calc R . . . .
C08N C 0.9961(9) 0.8681(8) 0.0583(7) 0.105 Uani 1 1 d D U . . .
H08N H 0.992705 0.904579 0.042779 0.126 Uiso 1 1 calc R . . . .
C08O C 0.7185(9) 0.6332(8) 0.5460(5) 0.083 Uani 1 1 d . U . . .
H08K H 0.749554 0.654663 0.536686 0.099 Uiso 1 1 calc R . . . .
H08L H 0.698073 0.632878 0.581128 0.099 Uiso 1 1 calc R . . . .
C08Q C 0.4407(15) 0.8148(14) 0.4358(9) 0.159 Uani 1 1 d D U . . .
H08M H 0.477667 0.782073 0.421033 0.190 Uiso 1 1 calc R . . . .
H08O H 0.412527 0.833914 0.413148 0.190 Uiso 1 1 calc R . . . .
C08R C 0.3897(13) 0.7977(11) 0.4837(9) 0.160 Uani 1 1 d D U . . .
H08R H 0.372329 0.770326 0.479183 0.192 Uiso 1 1 calc R . . . .
C08T C 0.5596(9) 0.7412(7) 0.6612(6) 0.151 Uani 1 1 d . U . . .
C088 C 0.5256(10) 0.7073(8) 0.6606(6) 0.152 Uani 1 1 d G U . . .
H088 H 0.529562 0.696115 0.631058 0.182 Uiso 1 1 calc R . . . .
C085 C 0.4859(9) 0.6896(7) 0.7031(8) 0.154 Uani 1 1 d G U . . .
H085 H 0.462666 0.666344 0.702712 0.185 Uiso 1 1 calc R . . . .
C08C C 0.4801(9) 0.7059(7) 0.7463(6) 0.151 Uani 1 1 d G U . . .
H08 H 0.452972 0.693779 0.775426 0.181 Uiso 1 1 calc R . . . .
C08J C 0.5141(10) 0.7398(8) 0.7470(6) 0.149 Uani 1 1 d G U . . .
H9CA H 0.510174 0.750985 0.776486 0.179 Uiso 1 1 calc R . . . .
C08Y C 0.5538(9) 0.7575(7) 0.7044(8) 0.150 Uani 1 1 d G U . . .
H0DA H 0.577070 0.780756 0.704832 0.180 Uiso 1 1 calc R . . . .
C08U C 1.3401(9) 0.4743(9) 0.1575(7) 0.103 Uani 1 1 d . U . . .
H08V H 1.313620 0.512838 0.157706 0.154 Uiso 1 1 calc GR . . . .
H08X H 1.323997 0.458184 0.138810 0.154 Uiso 1 1 calc GR . . . .
H08Y H 1.390801 0.467800 0.143142 0.154 Uiso 1 1 calc GR . . . .
C08Z C 1.0174(10) 0.1856(8) 0.2758(6) 0.087 Uani 1 1 d . U . . .
H08Z H 1.015282 0.172703 0.248996 0.104 Uiso 1 1 calc R . . . .
B1 B 1.0265(8) 0.2401(6) 0.4055(5) 0.057 Uani 1 1 d . . . . .
C7 C 0.5126(6) 1.1016(4) 0.3682(4) 0.090 Uani 1 1 d . U . . .
H7 H 0.524198 1.131835 0.368305 0.108 Uiso 1 1 calc R . . . .
C083 C 0.4713(6) 1.1035(3) 0.3400(4) 0.078 Uani 1 1 d G U . . .
H083 H 0.454579 1.135100 0.320884 0.094 Uiso 1 1 calc R . . . .
C05D C 0.4544(5) 1.0593(4) 0.3398(4) 0.070 Uani 1 1 d G U . . .
C05N C 0.4788(6) 1.0132(3) 0.3678(4) 0.074 Uani 1 1 d G U . . .
H05 H 0.467234 0.982929 0.367674 0.089 Uiso 1 1 calc R . . . .
C084 C 0.5202(6) 1.0112(3) 0.3960(4) 0.081 Uani 1 1 d G U . . .
H084 H 0.536853 0.979662 0.415096 0.098 Uiso 1 1 calc R . . . .
C090 C 0.5371(6) 1.0554(4) 0.3962(4) 0.089 Uani 1 1 d G U . . .
H090 H 0.565336 1.054115 0.415412 0.107 Uiso 1 1 calc R . . . .
C2 C 1.0627(16) 0.7585(10) -0.0955(14) 0.191 Uani 1 1 d . U . . .
H2A H 1.104673 0.751068 -0.123354 0.287 Uiso 1 1 calc GR . . . .
H2B H 1.050867 0.726158 -0.084278 0.287 Uiso 1 1 calc GR . . . .
H2C H 1.072503 0.769688 -0.069915 0.287 Uiso 1 1 calc GR . . . .
C0AA C 0.4485(13) 0.8212(11) 0.5298(8) 0.166 Uani 1 1 d D U . . .
H0AB H 0.468660 0.808411 0.557519 0.199 Uiso 1 1 calc R . . . .
C11 C 1.1120(8) 0.3077(7) 0.2191(4) 0.142 Uani 1 1 d . U . . .
H11 H 1.084868 0.305619 0.251516 0.170 Uiso 1 1 calc R . . . .
C13 C 1.1592(9) 0.3348(6) 0.2058(6) 0.143 Uani 1 1 d G U . . .
H13 H 1.164357 0.351228 0.229157 0.171 Uiso 1 1 calc R . . . .
C19 C 1.1989(8) 0.3379(6) 0.1584(7) 0.146 Uani 1 1 d G U . . .
C18 C 1.1913(8) 0.3139(7) 0.1242(5) 0.141 Uani 1 1 d G U . . .
C5 C 1.1441(9) 0.2868(6) 0.1375(6) 0.141 Uani 1 1 d G U . . .
H5 H 1.138924 0.270410 0.114147 0.169 Uiso 1 1 calc R . . . .
C15 C 1.1044(7) 0.2837(6) 0.1849(6) 0.122 Uani 1 1 d G U . . .
H15 H 1.072151 0.265209 0.194010 0.147 Uiso 1 1 calc R . . . .
C12 C 0.6038(14) 0.7588(11) 0.6129(10) 0.153 Uani 1 1 d . U . . .
H12A H 0.654050 0.743775 0.611604 0.230 Uiso 1 1 calc GR . . . .
H12B H 0.588338 0.797906 0.609485 0.230 Uiso 1 1 calc GR . . . .
H12C H 0.597100 0.746026 0.586801 0.230 Uiso 1 1 calc GR . . . .
C16 C 0.9998(11) 0.8034(8) -0.1094(10) 0.215 Uani 1 1 d . U . . .
C46 C 0.9870(12) 0.8568(10) -0.1059(9) 0.216 Uani 1 1 d G U . . .
H46 H 1.014271 0.866089 -0.091737 0.259 Uiso 1 1 calc R . . . .
C68 C 0.9343(13) 0.8966(6) -0.1231(10) 0.217 Uani 1 1 d G U . . .
H68 H 0.925541 0.933138 -0.120703 0.261 Uiso 1 1 calc R . . . .
C72 C 0.8944(11) 0.8831(8) -0.1438(9) 0.219 Uani 1 1 d G U . . .
H72 H 0.858386 0.910305 -0.155591 0.263 Uiso 1 1 calc R . . . .
C57 C 0.9072(12) 0.8297(10) -0.1473(9) 0.218 Uani 1 1 d G U . . .
H57 H 0.879961 0.820424 -0.161514 0.262 Uiso 1 1 calc R . . . .
C69 C 0.9599(13) 0.7899(6) -0.1301(10) 0.216 Uani 1 1 d G U . . .
H69 H 0.968691 0.753374 -0.132548 0.259 Uiso 1 1 calc R . . . .
C22 C 0.5016(14) 0.8312(14) 0.4869(8) 0.164 Uani 1 1 d D U . . .
H22A H 0.543748 0.798084 0.480647 0.197 Uiso 1 1 calc R . . . .
H22B H 0.516394 0.858838 0.493090 0.197 Uiso 1 1 calc R . . . .
C23 C 0.9823(9) 0.7829(7) 0.0479(7) 0.104 Uani 1 1 d D U . . .
H23 H 0.969314 0.765412 0.027508 0.125 Uiso 1 1 calc R . . . .
C24 C 0.4122(14) 0.8984(13) 0.4607(9) 0.167 Uani 1 1 d D U . . .
H24A H 0.429340 0.923244 0.469283 0.201 Uiso 1 1 calc R . . . .
H24B H 0.391918 0.916464 0.433953 0.201 Uiso 1 1 calc R . . . .
C26 C 1.0657(9) 0.8369(7) 0.0663(7) 0.103 Uani 1 1 d D U . . .
H26A H 1.102654 0.840949 0.036702 0.124 Uiso 1 1 calc R . . . .
H26B H 1.069957 0.853060 0.091737 0.124 Uiso 1 1 calc R . . . .
C27 C 0.9685(10) 0.2342(8) 0.2938(6) 0.091 Uani 1 1 d . U . . .
H27 H 0.934709 0.257052 0.277808 0.109 Uiso 1 1 calc R . . . .
C49 C 0.3909(13) 0.8722(12) 0.5384(9) 0.163 Uani 1 1 d D U . . .
H49A H 0.410029 0.898992 0.540778 0.196 Uiso 1 1 calc R . . . .
H49B H 0.356164 0.868866 0.569521 0.196 Uiso 1 1 calc R . . . .
C53 C 0.4277(14) 0.7807(12) 0.5194(8) 0.169 Uani 1 1 d D U . . .
H53A H 0.470930 0.749263 0.508386 0.202 Uiso 1 1 calc R . . . .
H53B H 0.397593 0.769148 0.549358 0.202 Uiso 1 1 calc R . . . .
C56 C 0.3544(13) 0.8914(12) 0.5016(7) 0.167 Uani 1 1 d D U . . .
H56 H 0.313204 0.925576 0.509250 0.201 Uiso 1 1 calc R . . . .
C59 C 0.3346(13) 0.8498(11) 0.4928(9) 0.165 Uani 1 1 d D U . . .
H59A H 0.315350 0.862327 0.465046 0.197 Uiso 1 1 calc R . . . .
H59B H 0.295713 0.845408 0.520816 0.197 Uiso 1 1 calc R . . . .
C70 C 1.2483(15) 0.3519(11) 0.1343(10) 0.152 Uani 1 1 d . U . . .
H70 H 1.283496 0.367495 0.126850 0.182 Uiso 1 1 calc R . . . .


_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
Ag01 Ag02 2.7879(9) . ?
Ag01 Ag03 2.7888(9) . ?
Ag01 Ag04 2.7775(9) . ?
Ag01 Ag05 2.7781(9) . ?
Ag01 Ag06 2.7760(9) . ?
Ag01 Ag07 2.7771(9) . ?
Ag01 Ag08 2.7767(9) . ?
Ag01 Ag09 2.7766(9) . ?
Ag01 Ag0A 2.7720(9) . ?
Ag01 Ag0B 2.7769(9) . ?
Ag01 Ag0C 2.7887(9) . ?
Ag01 Ag0D 2.7730(9) . ?
Ag02 Ag03 2.8862(10) . ?
Ag02 Ag05 3.1021(10) . ?
Ag02 Ag0A 2.9492(10) . ?
Ag02 Ag0B 2.8412(9) . ?
Ag02 Ag0D 2.8650(10) . ?
Ag02 Ag0F 2.9889(9) . ?
Ag02 Ag0I 3.3239(10) . ?
Ag02 S00T 2.498(2) . ?
Ag03 Ag06 2.8936(9) . ?
Ag03 Ag08 2.8762(10) . ?
Ag03 Ag0A 3.1098(10) . ?
Ag03 Ag0B 2.8515(10) . ?
Ag03 Ag0I 2.9584(10) . ?
Ag03 S011 2.460(3) . ?
Ag04 Ag05 2.8662(10) . ?
Ag04 Ag08 2.8929(9) . ?
Ag04 Ag09 3.1069(9) . ?
Ag04 Ag0A 2.8217(9) . ?
Ag04 Ag0C 2.9307(9) . ?
Ag04 Ag0H 3.3374(10) . ?
Ag04 Ag0K 2.9724(9) . ?
Ag04 S00Q 2.503(2) . ?
Ag05 Ag09 2.8961(9) . ?
Ag05 Ag0A 2.8688(9) . ?
Ag05 Ag0D 2.9049(10) . ?
Ag05 Ag0F 2.9905(10) . ?
Ag05 S012 2.465(2) . ?
Ag06 Ag07 2.8673(10) . ?
Ag06 Ag08 2.8517(10) . ?
Ag06 Ag0B 3.1130(10) . ?
Ag06 Ag0C 2.8611(10) . ?
Ag06 Ag0J 2.9539(10) . ?
Ag06 S00Z 2.448(2) . ?
Ag07 Ag09 2.8770(10) . ?
Ag07 Ag0B 2.9352(10) . ?
Ag07 Ag0C 2.8180(9) . ?
Ag07 Ag0D 3.1163(10) . ?
Ag07 Ag0M 2.9457(11) . ?
Ag07 S00X 2.495(2) . ?
Ag08 Ag0A 2.8446(9) . ?
Ag08 Ag0C 3.1308(9) . ?
Ag08 Ag0H 2.9739(10) . ?
Ag08 S00V 2.441(2) . ?
Ag09 Ag0C 2.8788(9) . ?
Ag09 Ag0D 2.8827(10) . ?
Ag09 Ag0K 2.9729(10) . ?
Ag09 S00S 2.463(2) . ?
Ag0A Ag0I 2.9907(10) . ?
Ag0A S00R 2.480(2) . ?
Ag0B Ag0D 2.8785(10) . ?
Ag0B Ag0J 3.0470(10) . ?
Ag0B Ag0M 3.3782(11) . ?
Ag0B S00W 2.466(2) . ?
Ag0C Ag0H 2.9743(10) . ?
Ag0C S00U 2.498(2) . ?
Ag0D Ag0M 2.9869(11) . ?
Ag0D S013 2.462(3) . ?
Ag0E Ag0H 3.3037(10) . ?
Ag0E Ag0K 3.3706(10) . ?
Ag0E S00Q 2.713(2) . ?
Ag0E S00U 2.686(2) . ?
Ag0E P014 2.507(2) . ?
Ag0E P016 2.493(3) . ?
Ag0F Ag0G 3.3372(10) . ?
Ag0F S00T 2.389(2) . ?
Ag0F S012 2.392(3) . ?
Ag0G Ag0I 3.2248(10) . ?
Ag0G S00R 2.648(2) . ?
Ag0G S00T 2.854(2) . ?
Ag0G P00Y 2.523(2) . ?
Ag0G P010 2.484(3) . ?
Ag0H S00U 2.395(2) . ?
Ag0H S00V 2.391(2) . ?
Ag0I S00R 2.408(2) . ?
Ag0I S011 2.390(3) . ?
Ag0J Ag0L 3.2288(11) . ?
Ag0J S00W 2.407(3) . ?
Ag0J S00Z 2.390(3) . ?
Ag0K S00Q 2.402(2) . ?
Ag0K S00S 2.392(2) . ?
Ag0L S00W 2.709(2) . ?
Ag0L S00X 2.708(3) . ?
Ag0L P015 2.507(3) . ?
Ag0L P017 2.520(3) . ?
Ag0M S00X 2.387(3) . ?
Ag0M S013 2.383(3) . ?
Fe0N C01F 2.036(11) . ?
Fe0N C01R 2.040(12) . ?
Fe0N C01U 2.027(11) . ?
Fe0N C021 2.036(11) . ?
Fe0N C02B 2.035(12) . ?
Fe0N C02G 2.037(11) . ?
Fe0N C037 2.076(11) . ?
Fe0N C03K 2.068(11) . ?
Fe0N C042 2.038(11) . ?
Fe0N C04I 2.038(12) . ?
Fe0O C01J 2.015(12) . ?
Fe0O C027 2.021(13) . ?
Fe0O C035 2.034(12) . ?
Fe0O C038 2.050(15) . ?
Fe0O C03D 2.037(12) . ?
Fe0O C041 2.051(12) . ?
Fe0O C04R 2.030(13) . ?
Fe0O C06E 2.024(14) . ?
Fe0O C06L 2.031(13) . ?
Fe0O C07M 2.044(14) . ?
Fe0P C03Z 2.057(13) . ?
Fe0P C043 2.000(14) . ?
Fe0P C04O 2.070(13) . ?
Fe0P C04Z 2.003(14) . ?
Fe0P C058 2.025(15) . ?
Fe0P C05L 1.980(15) . ?
Fe0P C064 2.033(15) . ?
Fe0P C06B 2.042(16) . ?
Fe0P C06T 2.063(14) . ?
Fe0P C07H 2.029(16) . ?
S00Q C01O 1.850(10) . ?
S00R C01E 1.839(10) . ?
S00S C02R 1.857(12) . ?
S00T C01Q 1.854(11) . ?
S00U C01Z 1.855(10) . ?
S00V C036 1.847(12) . ?
S00W C029 1.867(12) . ?
S00X C02X 1.852(12) . ?
P00Y C01A 1.794(11) . ?
P00Y C021 1.802(10) . ?
P00Y C024 1.820(10) . ?
S00Z C03P 1.854(11) . ?
P010 C01F 1.795(10) . ?
P010 C01S 1.842(12) . ?
P010 C031 1.806(12) . ?
S011 C034 1.851(17) . ?
S012 C05K 1.820(14) . ?
S013 C07C 1.78(2) . ?
P014 C01J 1.791(12) . ?
P014 C01P 1.820(12) . ?
P014 C026 1.825(12) . ?
P015 C025 1.820(12) . ?
P015 C03Q 1.820(12) . ?
P015 C04O 1.787(13) . ?
P016 C02T 1.813(12) . ?
P016 C033 1.825(12) . ?
P016 C03D 1.796(12) . ?
P017 C043 1.818(14) . ?
P017 C065 1.810(16) . ?
P017 C05D 1.828(8) . ?
C018 C01H 1.549(15) . ?
C018 C01Z 1.541(15) . ?
C019 C01A 1.421(16) . ?
C019 C02O 1.369(17) . ?
C01A C01D 1.409(14) . ?
C01B C01E 1.530(16) . ?
C01B C01X 1.523(15) . ?
C01C C01Q 1.548(17) . ?
C01C C03V 1.544(17) . ?
C01D C01K 1.389(16) . ?
C01E C01G 1.525(14) . ?
C01E C02D 1.536(16) . ?
C01F C01R 1.423(16) . ?
C01F C02G 1.447(14) . ?
C01G C05O 1.577(15) . ?
C01H C02N 1.514(16) . ?
C01H C06M 1.547(16) . ?
C01I C024 1.385(15) . ?
C01I C04H 1.369(16) . ?
C01J C035 1.420(17) . ?
C01J C06E 1.458(18) . ?
C01K C02S 1.363(16) . ?
C01L C01S 1.379(16) . ?
C01L C03S 1.426(17) . ?
C01M C01O 1.528(14) . ?
C01M C032 1.545(14) . ?
C01N C029 1.508(19) . ?
C01N C05F 1.562(17) . ?
C01O C02E 1.517(16) . ?
C01O C02U 1.523(15) . ?
C01P C01T 1.391(16) . ?
C01P C02J 1.391(15) . ?
C01Q C02W 1.534(16) . ?
C01Q C04N 1.520(18) . ?
C01R C04I 1.404(15) . ?
C01S C02V 1.368(17) . ?
C01T C04G 1.380(16) . ?
C01U C021 1.428(15) . ?
C01U C02B 1.420(14) . ?
C01V C020 1.398(17) . ?
C01V C05W 1.393(18) . ?
C01W C01Z 1.535(14) . ?
C01W C02K 1.545(15) . ?
C01X C028 1.547(16) . ?
C01X C03R 1.530(16) . ?
C01Y C033 1.365(16) . ?
C01Y C03H 1.404(16) . ?
C01Z C04U 1.515(16) . ?
C020 C03F 1.387(17) . ?
C020 B06Z 1.641(18) . ?
C021 C042 1.427(14) . ?
C022 C039 1.516(17) . ?
C022 C03P 1.509(16) . ?
C023 C02M 1.370(18) . ?
C023 C03Q 1.417(16) . ?
C024 C03O 1.390(15) . ?
C025 C02A 1.377(16) . ?
C025 C045 1.396(16) . ?
C026 C02C 1.361(16) . ?
C026 C04W 1.368(15) . ?
C027 C038 1.419(17) . ?
C027 C03D 1.448(18) . ?
C028 C02I 1.512(18) . ?
C029 C03G 1.522(16) . ?
C029 C03W 1.542(17) . ?
C02A C02Z 1.388(17) . ?
C02B C037 1.415(16) . ?
C02C C05I 1.407(17) . ?
C02D C02I 1.557(15) . ?
C02E C04P 1.540(14) . ?
C02F C03L 1.547(16) . ?
C02F C03P 1.539(15) . ?
C02G C03K 1.418(15) . ?
C02H C032 1.511(16) . ?
C02H C078 1.505(15) . ?
C02I C053 1.537(16) . ?
C02J C04S 1.390(17) . ?
C02K C02N 1.521(16) . ?
C02K C05A 1.543(17) . ?
C02L C03N 1.368(17) . ?
C02L C03Q 1.360(18) . ?
C02M C051 1.400(19) . ?
C02O C02S 1.395(16) . ?
C02P C047 1.396(18) . ?
C02P C05U 1.364(19) . ?
C02Q C02Z 1.407(17) . ?
C02Q C04E 1.376(17) . ?
C02R C03A 1.521(19) . ?
C02R C04D 1.534(16) . ?
C02R C04Q 1.552(17) . ?
C02T C03I 1.385(16) . ?
C02T C03U 1.397(18) . ?
C02U C078 1.547(15) . ?
C02V C040 1.355(17) . ?
C02W C04K 1.557(17) . ?
C02X C04Y 1.48(2) . ?
C02X C069 1.50(2) . ?
C02X C06U 1.52(2) . ?
C02Y C039 1.533(18) . ?
C02Y C061 1.509(18) . ?
C030 C03L 1.533(17) . ?
C030 C061 1.499(16) . ?
C031 C04L 1.380(17) . ?
C031 C05H 1.411(16) . ?
C032 C04X 1.533(16) . ?
C033 C068 1.396(17) . ?
C034 C070 1.52(3) . ?
C034 C08F 1.47(2) . ?
C034 C08K 1.48(3) . ?
C035 C06L 1.422(18) . ?
C036 C055 1.517(17) . ?
C036 C06R 1.501(18) . ?
C036 C06S 1.496(17) . ?
C037 C042 1.420(15) . ?
C038 C04R 1.333(19) . ?
C039 C050 1.530(16) . ?
C03A C03M 1.565(17) . ?
C03B C04F 1.37(2) . ?
C03B C05C 1.448(19) . ?
C03B B1 1.65(2) . ?
C03C C047 1.390(18) . ?
C03C C05V 1.404(18) . ?
C03C B06Z 1.632(18) . ?
C03D C041 1.434(17) . ?
C03E C048 1.410(19) . ?
C03E C068 1.395(17) . ?
C03F C05G 1.400(18) . ?
C03G C03T 1.538(17) . ?
C03H C048 1.343(17) . ?
C03I C057 1.385(19) . ?
C03J C03Y 1.404(19) . ?
C03J C07L 1.404(19) . ?
C03K C04I 1.395(16) . ?
C03L C050 1.529(17) . ?
C03M C04C 1.524(19) . ?
C03M C062 1.533(17) . ?
C03N C051 1.385(18) . ?
C03O C04A 1.381(16) . ?
C03P C059 1.509(16) . ?
C03R C05O 1.445(19) . ?
C03S C03X 1.350(19) . ?
C03T C049 1.51(2) . ?
C03T C06J 1.543(17) . ?
C03U C074 1.384(18) . ?
C03V C054 1.539(18) . ?
C03V C06K 1.54(2) . ?
C03W C073 1.538(18) . ?
C03X C040 1.409(19) . ?
C03Y C06F 1.412(19) . ?
C03Y B06Z 1.632(18) . ?
C03Z C04O 1.463(18) . ?
C03Z C06T 1.410(18) . ?
C041 C04R 1.425(18) . ?
C043 C04Z 1.43(2) . ?
C043 C064 1.418(19) . ?
C044 C04B 1.386(19) . ?
C044 C06V 1.39(2) . ?
C045 C04E 1.366(18) . ?
C046 C04U 1.539(15) . ?
C046 C05A 1.517(17) . ?
C046 C06M 1.551(16) . ?
C049 C05F 1.549(18) . ?
C04A C05T 1.385(16) . ?
C04B C067 1.382(19) . ?
C04B B06Z 1.655(19) . ?
C04C C056 1.49(2) . ?
C04D C05Y 1.524(17) . ?
C04F C05Q 1.358(19) . ?
C04G C05R 1.400(17) . ?
C04H C05T 1.361(17) . ?
C04J C056 1.502(17) . ?
C04J C05Y 1.503(19) . ?
C04K C054 1.557(18) . ?
C04K C07J 1.45(2) . ?
C04L C06D 1.385(18) . ?
C04M C060 1.472(19) . ?
C04M C06C 1.501(19) . ?
C04N C052 1.542(17) . ?
C04O C05L 1.436(19) . ?
C04P C04X 1.516(15) . ?
C04P C05E 1.521(17) . ?
C04Q C056 1.555(17) . ?
C04S C05R 1.364(18) . ?
C04T C060 1.537(18) . ?
C04T C072 1.503(19) . ?
C04V C05C 1.38(2) . ?
C04V C06P 1.37(2) . ?
C04W C05J 1.356(18) . ?
C04Y C071 1.59(2) . ?
C04Z C06B 1.426(18) . ?
C052 C06K 1.536(18) . ?
C052 C07J 1.554(18) . ?
C053 C05O 1.529(17) . ?
C055 C060 1.575(17) . ?
C057 C06A 1.33(2) . ?
C058 C064 1.40(2) . ?
C058 C06B 1.38(2) . ?
C059 C061 1.558(16) . ?
C05B C05I 1.390(17) . ?
C05B C05J 1.409(19) . ?
C05E C078 1.554(17) . ?
C05F C076 1.539(18) . ?
C05G C05S 1.362(18) . ?
C05H C075 1.395(18) . ?
C05K C07S 1.47(2) . ?
C05K C07Z 1.49(2) . ?
C05K C081 1.51(2) . ?
C05L C07H 1.388(18) . ?
C05M C06H 1.38(2) . ?
C05M C07A 1.36(2) . ?
C05P C067 1.42(2) . ?
C05P C06X 1.34(2) . ?
C05Q C06P 1.369(18) . ?
C05S C05W 1.347(18) . ?
C05U C06N 1.37(2) . ?
C05V C06N 1.393(19) . ?
C05X C071 1.48(2) . ?
C05X C07V 1.48(2) . ?
C05Y C062 1.48(2) . ?
C05Z C063 1.39(2) . ?
C05Z C07F 1.40(2) . ?
C05Z B1 1.65(2) . ?
C063 C06W 1.40(2) . ?
C065 C06H 1.39(2) . ?
C065 C07O 1.34(2) . ?
C066 C07F 1.44(2) . ?
C066 C07R 1.41(2) . ?
C069 C07V 1.61(2) . ?
C06A C074 1.402(18) . ?
C06C C06O 1.539(18) . ?
C06C C06R 1.582(17) . ?
C06D C07P 1.364(19) . ?
C06E C07M 1.409(18) . ?
C06F C07B 1.381(19) . ?
C06G C06I 1.38(2) . ?
C06G C077 1.38(2) . ?
C06I C06Q 1.38(2) . ?
C06I B1 1.69(2) . ?
C06J C073 1.527(18) . ?
C06L C07M 1.40(2) . ?
C06O C072 1.46(2) . ?
C06Q C08A 1.38(2) . ?
C06S C072 1.542(17) . ?
C06T C07H 1.43(2) . ?
C06U C07I 1.59(2) . ?
C06V C06X 1.42(2) . ?
C06W C07R 1.36(2) . ?
C06Y C07D 1.54(3) . ?
C06Y C080 1.46(2) . ?
C070 C23 1.59(3) . ?
C071 C07G 1.46(2) . ?
C073 C076 1.52(2) . ?
C075 C07P 1.330(19) . ?
C077 C087 1.39(2) . ?
C079 C08E 1.3900 . ?
C079 C07Y 1.3900 . ?
C08E C08W 1.3900 . ?
C08W C6 1.3900 . ?
C6 C08B 1.3900 . ?
C08B C07Y 1.3900 . ?
C07Y C08U 1.50(2) . ?
C07A C086 1.40(2) . ?
C07B C07E 1.39(2) . ?
C07C C08Q 1.50(3) . ?
C07C C22 1.53(3) . ?
C07C C24 1.52(3) . ?
C07D C07K 1.49(2) . ?
C07D C07S 1.53(2) . ?
C07E C07L 1.38(2) . ?
C07G C07I 1.46(2) . ?
C07I C07X 1.51(2) . ?
C07K C07T 1.49(3) . ?
C07N C07U 1.37(2) . ?
C07N C08D 1.37(2) . ?
C07O C086 1.37(2) . ?
C07T C081 1.60(2) . ?
C07T C08O 1.49(3) . ?
C07U C08G 1.43(2) . ?
C07U B1 1.61(2) . ?
C07V C07X 1.52(2) . ?
C07W C08F 1.64(2) . ?
C07W C08M 1.51(3) . ?
C07W C26 1.453(10) . ?
C07Z C080 1.56(2) . ?
C080 C08O 1.52(2) . ?
C087 C08A 1.35(2) . ?
C089 C08N 1.458(10) . ?
C089 C23 1.446(7) . ?
C08D C08Z 1.47(3) . ?
C08G C27 1.35(2) . ?
C08K C08N 1.58(2) . ?
C08M C23 1.437(10) . ?
C08N C26 1.473(10) . ?
C08Q C08R 1.60(3) . ?
C08R C53 1.451(10) . ?
C08R C59 1.451(10) . ?
C08T C088 1.3900 . ?
C08T C08Y 1.3900 . ?
C08T C12 1.54(3) . ?
C088 C085 1.3900 . ?
C085 C08C 1.3900 . ?
C08C C08J 1.3900 . ?
C08J C08Y 1.3900 . ?
C08Z C27 1.40(2) . ?
C7 C083 1.3900 . ?
C7 C090 1.3900 . ?
C083 C05D 1.3900 . ?
C05D C05N 1.3900 . ?
C05N C084 1.3900 . ?
C084 C090 1.3900 . ?
C2 C16 1.54(3) . ?
C0AA C22 1.464(10) . ?
C0AA C49 1.449(10) . ?
C0AA C53 1.455(10) . ?
C11 C13 1.3900 . ?
C11 C15 1.3900 . ?
C13 C19 1.3900 . ?
C19 C18 1.3900 . ?
C19 C70 1.22(3) . ?
C18 C5 1.3900 . ?
C18 C70 2.00(4) . ?
C5 C15 1.3900 . ?
C16 C46 1.3900 . ?
C16 C69 1.3900 . ?
C46 C68 1.3900 . ?
C68 C72 1.3900 . ?
C72 C57 1.3900 . ?
C57 C69 1.3900 . ?
C24 C56 1.463(10) . ?
C49 C56 1.456(10) . ?
C56 C59 1.450(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag02 Ag01 Ag03 62.34(2) . . ?
Ag02 Ag01 Ag0C 178.67(3) . . ?
Ag04 Ag01 Ag02 117.65(3) . . ?
Ag04 Ag01 Ag03 117.37(3) . . ?
Ag04 Ag01 Ag05 62.12(2) . . ?
Ag04 Ag01 Ag0C 63.54(2) . . ?
Ag05 Ag01 Ag02 67.74(2) . . ?
Ag05 Ag01 Ag03 120.48(3) . . ?
Ag05 Ag01 Ag0C 112.81(3) . . ?
Ag06 Ag01 Ag02 117.62(3) . . ?
Ag06 Ag01 Ag03 62.66(2) . . ?
Ag06 Ag01 Ag04 112.09(3) . . ?
Ag06 Ag01 Ag05 174.05(3) . . ?
Ag06 Ag01 Ag07 62.18(2) . . ?
Ag06 Ag01 Ag08 61.80(2) . . ?
Ag06 Ag01 Ag09 114.49(3) . . ?
Ag06 Ag01 Ag0B 68.20(2) . . ?
Ag06 Ag01 Ag0C 61.88(2) . . ?
Ag07 Ag01 Ag02 117.84(3) . . ?
Ag07 Ag01 Ag03 112.40(3) . . ?
Ag07 Ag01 Ag04 117.38(3) . . ?
Ag07 Ag01 Ag05 118.44(3) . . ?
Ag07 Ag01 Ag0C 60.84(2) . . ?
Ag08 Ag01 Ag02 112.50(3) . . ?
Ag08 Ag01 Ag03 62.23(2) . . ?
Ag08 Ag01 Ag04 62.78(2) . . ?
Ag08 Ag01 Ag05 114.42(3) . . ?
Ag08 Ag01 Ag07 116.70(3) . . ?
Ag08 Ag01 Ag09 121.43(3) . . ?
Ag08 Ag01 Ag0B 116.71(3) . . ?
Ag08 Ag01 Ag0C 68.46(2) . . ?
Ag09 Ag01 Ag02 117.37(3) . . ?
Ag09 Ag01 Ag03 174.37(3) . . ?
Ag09 Ag01 Ag04 68.03(2) . . ?
Ag09 Ag01 Ag05 62.85(2) . . ?
Ag09 Ag01 Ag07 62.40(2) . . ?
Ag09 Ag01 Ag0B 112.98(3) . . ?
Ag09 Ag01 Ag0C 62.30(2) . . ?
Ag0A Ag01 Ag02 64.07(2) . . ?
Ag0A Ag01 Ag03 68.01(2) . . ?
Ag0A Ag01 Ag04 61.12(2) . . ?
Ag0A Ag01 Ag05 62.25(2) . . ?
Ag0A Ag01 Ag06 116.94(3) . . ?
Ag0A Ag01 Ag07 178.07(3) . . ?
Ag0A Ag01 Ag08 61.68(2) . . ?
Ag0A Ag01 Ag09 117.27(3) . . ?
Ag0A Ag01 Ag0B 117.69(3) . . ?
Ag0A Ag01 Ag0C 117.26(3) . . ?
Ag0A Ag01 Ag0D 113.35(3) . . ?
Ag0B Ag01 Ag02 61.40(2) . . ?
Ag0B Ag01 Ag03 61.64(2) . . ?
Ag0B Ag01 Ag04 178.80(3) . . ?
Ag0B Ag01 Ag05 117.62(3) . . ?
Ag0B Ag01 Ag07 63.81(2) . . ?
Ag0B Ag01 Ag0C 117.42(3) . . ?
Ag0C Ag01 Ag03 117.85(3) . . ?
Ag0D Ag01 Ag02 62.02(2) . . ?
Ag0D Ag01 Ag03 114.11(3) . . ?
Ag0D Ag01 Ag04 117.90(3) . . ?
Ag0D Ag01 Ag05 63.11(2) . . ?
Ag0D Ag01 Ag06 121.10(3) . . ?
Ag0D Ag01 Ag07 68.32(2) . . ?
Ag0D Ag01 Ag08 174.39(3) . . ?
Ag0D Ag01 Ag09 62.59(2) . . ?
Ag0D Ag01 Ag0B 62.48(2) . . ?
Ag0D Ag01 Ag0C 117.03(3) . . ?
Ag01 Ag02 Ag03 58.85(2) . . ?
Ag01 Ag02 Ag05 55.98(2) . . ?
Ag01 Ag02 Ag0A 57.70(2) . . ?
Ag01 Ag02 Ag0B 59.11(2) . . ?
Ag01 Ag02 Ag0D 58.73(2) . . ?
Ag01 Ag02 Ag0F 110.98(3) . . ?
Ag01 Ag02 Ag0I 100.83(3) . . ?
Ag03 Ag02 Ag05 107.55(3) . . ?
Ag03 Ag02 Ag0A 64.40(2) . . ?
Ag03 Ag02 Ag0F 129.77(3) . . ?
Ag03 Ag02 Ag0I 56.37(2) . . ?
Ag05 Ag02 Ag0I 110.23(3) . . ?
Ag0A Ag02 Ag05 56.53(2) . . ?
Ag0A Ag02 Ag0F 69.75(2) . . ?
Ag0A Ag02 Ag0I 56.57(2) . . ?
Ag0B Ag02 Ag03 59.71(2) . . ?
Ag0B Ag02 Ag05 106.10(3) . . ?
Ag0B Ag02 Ag0A 110.17(3) . . ?
Ag0B Ag02 Ag0D 60.59(2) . . ?
Ag0B Ag02 Ag0F 162.78(3) . . ?
Ag0B Ag02 Ag0I 112.86(3) . . ?
Ag0D Ag02 Ag03 108.49(3) . . ?
Ag0D Ag02 Ag05 58.10(2) . . ?
Ag0D Ag02 Ag0A 105.66(3) . . ?
Ag0D Ag02 Ag0F 102.45(3) . . ?
Ag0D Ag02 Ag0I 159.44(3) . . ?
Ag0F Ag02 Ag05 58.77(2) . . ?
Ag0F Ag02 Ag0I 81.93(2) . . ?
S00T Ag02 Ag01 157.33(6) . . ?
S00T Ag02 Ag03 119.35(6) . . ?
S00T Ag02 Ag05 109.24(6) . . ?
S00T Ag02 Ag0A 100.24(6) . . ?
S00T Ag02 Ag0B 142.23(6) . . ?
S00T Ag02 Ag0D 131.75(6) . . ?
S00T Ag02 Ag0F 50.65(6) . . ?
S00T Ag02 Ag0I 66.35(6) . . ?
Ag01 Ag03 Ag02 58.82(2) . . ?
Ag01 Ag03 Ag06 58.45(2) . . ?
Ag01 Ag03 Ag08 58.68(2) . . ?
Ag01 Ag03 Ag0A 55.74(2) . . ?
Ag01 Ag03 Ag0B 58.98(2) . . ?
Ag01 Ag03 Ag0I 110.48(3) . . ?
Ag02 Ag03 Ag06 110.88(3) . . ?
Ag02 Ag03 Ag0A 58.78(2) . . ?
Ag02 Ag03 Ag0I 69.31(2) . . ?
Ag06 Ag03 Ag0A 103.88(3) . . ?
Ag06 Ag03 Ag0I 160.79(3) . . ?
Ag08 Ag03 Ag02 106.83(3) . . ?
Ag08 Ag03 Ag06 59.24(2) . . ?
Ag08 Ag03 Ag0A 56.58(2) . . ?
Ag08 Ag03 Ag0I 101.85(3) . . ?
Ag0B Ag03 Ag02 59.36(2) . . ?
Ag0B Ag03 Ag06 65.62(2) . . ?
Ag0B Ag03 Ag08 111.27(3) . . ?
Ag0B Ag03 Ag0A 105.52(3) . . ?
Ag0B Ag03 Ag0I 124.57(3) . . ?
Ag0I Ag03 Ag0A 58.99(2) . . ?
S011 Ag03 Ag01 150.70(7) . . ?
S011 Ag03 Ag02 91.90(7) . . ?
S011 Ag03 Ag06 145.44(7) . . ?
S011 Ag03 Ag08 139.59(7) . . ?
S011 Ag03 Ag0A 110.21(7) . . ?
S011 Ag03 Ag0B 109.09(7) . . ?
S011 Ag03 Ag0I 51.34(6) . . ?
Ag01 Ag04 Ag05 58.95(2) . . ?
Ag01 Ag04 Ag08 58.60(2) . . ?
Ag01 Ag04 Ag09 55.97(2) . . ?
Ag01 Ag04 Ag0A 59.34(2) . . ?
Ag01 Ag04 Ag0C 58.42(2) . . ?
Ag01 Ag04 Ag0H 100.63(3) . . ?
Ag01 Ag04 Ag0K 111.02(3) . . ?
Ag05 Ag04 Ag08 108.36(3) . . ?
Ag05 Ag04 Ag09 57.84(2) . . ?
Ag05 Ag04 Ag0C 106.24(3) . . ?
Ag05 Ag04 Ag0H 159.46(3) . . ?
Ag05 Ag04 Ag0K 101.26(3) . . ?
Ag08 Ag04 Ag09 107.61(3) . . ?
Ag08 Ag04 Ag0C 65.04(2) . . ?
Ag08 Ag04 Ag0H 56.48(2) . . ?
Ag08 Ag04 Ag0K 131.21(3) . . ?
Ag09 Ag04 Ag0H 110.56(3) . . ?
Ag0A Ag04 Ag05 60.57(2) . . ?
Ag0A Ag04 Ag08 59.69(2) . . ?
Ag0A Ag04 Ag09 105.99(3) . . ?
Ag0A Ag04 Ag0C 111.24(3) . . ?
Ag0A Ag04 Ag0H 112.88(3) . . ?
Ag0A Ag04 Ag0K 161.71(3) . . ?
Ag0C Ag04 Ag09 56.87(2) . . ?
Ag0C Ag04 Ag0H 56.21(2) . . ?
Ag0C Ag04 Ag0K 69.96(2) . . ?
Ag0K Ag04 Ag09 58.50(2) . . ?
Ag0K Ag04 Ag0H 83.37(2) . . ?
S00Q Ag04 Ag01 156.08(6) . . ?
S00Q Ag04 Ag05 133.47(6) . . ?
S00Q Ag04 Ag08 117.85(6) . . ?
S00Q Ag04 Ag09 109.67(6) . . ?
S00Q Ag04 Ag0A 142.45(6) . . ?
S00Q Ag04 Ag0C 97.98(6) . . ?
S00Q Ag04 Ag0H 64.56(6) . . ?
S00Q Ag04 Ag0K 51.18(5) . . ?
Ag01 Ag05 Ag02 56.28(2) . . ?
Ag01 Ag05 Ag04 58.93(2) . . ?
Ag01 Ag05 Ag09 58.55(2) . . ?
Ag01 Ag05 Ag0A 58.77(2) . . ?
Ag01 Ag05 Ag0D 58.36(2) . . ?
Ag01 Ag05 Ag0F 111.21(3) . . ?
Ag04 Ag05 Ag02 105.78(3) . . ?
Ag04 Ag05 Ag09 65.25(2) . . ?
Ag04 Ag05 Ag0A 58.95(2) . . ?
Ag04 Ag05 Ag0D 110.97(3) . . ?
Ag04 Ag05 Ag0F 125.71(3) . . ?
Ag09 Ag05 Ag02 104.80(3) . . ?
Ag09 Ag05 Ag0D 59.59(2) . . ?
Ag09 Ag05 Ag0F 160.92(3) . . ?
Ag0A Ag05 Ag02 59.04(2) . . ?
Ag0A Ag05 Ag09 110.54(3) . . ?
Ag0A Ag05 Ag0D 106.74(3) . . ?
Ag0A Ag05 Ag0F 70.80(2) . . ?
Ag0D Ag05 Ag02 56.86(2) . . ?
Ag0D Ag05 Ag0F 101.46(3) . . ?
Ag0F Ag05 Ag02 58.72(2) . . ?
S012 Ag05 Ag01 149.74(7) . . ?
S012 Ag05 Ag02 109.28(7) . . ?
S012 Ag05 Ag04 108.41(7) . . ?
S012 Ag05 Ag09 145.64(7) . . ?
S012 Ag05 Ag0A 90.99(6) . . ?
S012 Ag05 Ag0D 140.52(7) . . ?
S012 Ag05 Ag0F 50.89(6) . . ?
Ag01 Ag06 Ag03 58.89(2) . . ?
Ag01 Ag06 Ag07 58.93(2) . . ?
Ag01 Ag06 Ag08 59.11(2) . . ?
Ag01 Ag06 Ag0B 55.92(2) . . ?
Ag01 Ag06 Ag0C 59.28(2) . . ?
Ag01 Ag06 Ag0J 112.96(3) . . ?
Ag03 Ag06 Ag0B 56.54(2) . . ?
Ag03 Ag06 Ag0J 100.56(3) . . ?
Ag07 Ag06 Ag03 106.81(3) . . ?
Ag07 Ag06 Ag0B 58.62(2) . . ?
Ag07 Ag06 Ag0J 72.59(3) . . ?
Ag08 Ag06 Ag03 60.08(2) . . ?
Ag08 Ag06 Ag07 111.52(3) . . ?
Ag08 Ag06 Ag0B 104.78(3) . . ?
Ag08 Ag06 Ag0C 66.47(2) . . ?
Ag08 Ag06 Ag0J 160.63(3) . . ?
Ag0C Ag06 Ag03 112.22(3) . . ?
Ag0C Ag06 Ag07 58.94(2) . . ?
Ag0C Ag06 Ag0B 105.44(3) . . ?
Ag0C Ag06 Ag0J 127.00(3) . . ?
Ag0J Ag06 Ag0B 60.23(2) . . ?
S00Z Ag06 Ag01 154.80(7) . . ?
S00Z Ag06 Ag03 136.55(7) . . ?
S00Z Ag06 Ag07 95.93(7) . . ?
S00Z Ag06 Ag08 142.29(7) . . ?
S00Z Ag06 Ag0B 111.61(7) . . ?
S00Z Ag06 Ag0C 111.22(7) . . ?
S00Z Ag06 Ag0J 51.48(6) . . ?
Ag01 Ag07 Ag06 58.89(2) . . ?
Ag01 Ag07 Ag09 58.79(2) . . ?
Ag01 Ag07 Ag0B 58.09(2) . . ?
Ag01 Ag07 Ag0C 59.79(2) . . ?
Ag01 Ag07 Ag0D 55.78(2) . . ?
Ag01 Ag07 Ag0M 111.20(3) . . ?
Ag06 Ag07 Ag09 108.77(3) . . ?
Ag06 Ag07 Ag0B 64.88(2) . . ?
Ag06 Ag07 Ag0D 107.64(3) . . ?
Ag06 Ag07 Ag0M 130.84(3) . . ?
Ag09 Ag07 Ag0B 105.63(3) . . ?
Ag09 Ag07 Ag0D 57.33(2) . . ?
Ag09 Ag07 Ag0M 101.28(3) . . ?
Ag0B Ag07 Ag0D 56.71(2) . . ?
Ag0B Ag07 Ag0M 70.12(3) . . ?
Ag0C Ag07 Ag06 60.42(2) . . ?
Ag0C Ag07 Ag09 60.72(2) . . ?
Ag0C Ag07 Ag0B 111.50(3) . . ?
Ag0C Ag07 Ag0D 106.01(3) . . ?
Ag0C Ag07 Ag0M 161.94(4) . . ?
Ag0M Ag07 Ag0D 58.96(2) . . ?
S00X Ag07 Ag01 154.85(7) . . ?
S00X Ag07 Ag06 115.76(7) . . ?
S00X Ag07 Ag09 135.27(7) . . ?
S00X Ag07 Ag0B 96.90(6) . . ?
S00X Ag07 Ag0C 142.38(7) . . ?
S00X Ag07 Ag0D 110.18(7) . . ?
S00X Ag07 Ag0M 51.22(7) . . ?
Ag01 Ag08 Ag03 59.09(2) . . ?
Ag01 Ag08 Ag04 58.62(2) . . ?
Ag01 Ag08 Ag06 59.08(2) . . ?
Ag01 Ag08 Ag0A 59.08(2) . . ?
Ag01 Ag08 Ag0C 55.95(2) . . ?
Ag01 Ag08 Ag0H 110.25(3) . . ?
Ag03 Ag08 Ag04 111.03(3) . . ?
Ag03 Ag08 Ag0C 105.28(3) . . ?
Ag03 Ag08 Ag0H 161.34(3) . . ?
Ag04 Ag08 Ag0C 58.06(2) . . ?
Ag04 Ag08 Ag0H 69.32(2) . . ?
Ag06 Ag08 Ag03 60.68(2) . . ?
Ag06 Ag08 Ag04 106.62(3) . . ?
Ag06 Ag08 Ag0C 56.91(2) . . ?
Ag06 Ag08 Ag0H 100.92(3) . . ?
Ag0A Ag08 Ag03 65.86(2) . . ?
Ag0A Ag08 Ag04 58.91(2) . . ?
Ag0A Ag08 Ag06 112.23(3) . . ?
Ag0A Ag08 Ag0C 105.13(3) . . ?
Ag0A Ag08 Ag0H 124.10(3) . . ?
Ag0H Ag08 Ag0C 58.25(2) . . ?
S00V Ag08 Ag01 149.15(7) . . ?
S00V Ag08 Ag03 145.34(7) . . ?
S00V Ag08 Ag04 90.53(6) . . ?
S00V Ag08 Ag06 140.05(7) . . ?
S00V Ag08 Ag0A 107.55(6) . . ?
S00V Ag08 Ag0C 109.18(6) . . ?
S00V Ag08 Ag0H 51.25(6) . . ?
Ag01 Ag09 Ag04 56.00(2) . . ?
Ag01 Ag09 Ag05 58.60(2) . . ?
Ag01 Ag09 Ag07 58.81(2) . . ?
Ag01 Ag09 Ag0C 59.06(2) . . ?
Ag01 Ag09 Ag0D 58.64(2) . . ?
Ag01 Ag09 Ag0K 111.03(3) . . ?
Ag05 Ag09 Ag04 56.91(2) . . ?
Ag05 Ag09 Ag0K 100.54(3) . . ?
Ag07 Ag09 Ag04 104.88(3) . . ?
Ag07 Ag09 Ag05 111.52(3) . . ?
Ag07 Ag09 Ag0C 58.63(2) . . ?
Ag07 Ag09 Ag0D 65.51(2) . . ?
Ag07 Ag09 Ag0K 125.47(3) . . ?
Ag0C Ag09 Ag04 58.48(2) . . ?
Ag0C Ag09 Ag05 106.83(3) . . ?
Ag0C Ag09 Ag0D 110.82(3) . . ?
Ag0C Ag09 Ag0K 70.65(3) . . ?
Ag0D Ag09 Ag04 105.05(3) . . ?
Ag0D Ag09 Ag05 60.35(2) . . ?
Ag0D Ag09 Ag0K 160.76(3) . . ?
Ag0K Ag09 Ag04 58.49(2) . . ?
S00S Ag09 Ag01 153.42(7) . . ?
S00S Ag09 Ag04 109.61(6) . . ?
S00S Ag09 Ag05 136.41(6) . . ?
S00S Ag09 Ag07 112.05(6) . . ?
S00S Ag09 Ag0C 94.53(6) . . ?
S00S Ag09 Ag0D 144.33(7) . . ?
S00S Ag09 Ag0K 51.17(6) . . ?
Ag01 Ag0A Ag02 58.23(2) . . ?
Ag01 Ag0A Ag03 56.25(2) . . ?
Ag01 Ag0A Ag04 59.53(2) . . ?
Ag01 Ag0A Ag05 58.98(2) . . ?
Ag01 Ag0A Ag08 59.24(2) . . ?
Ag01 Ag0A Ag0I 110.01(3) . . ?
Ag02 Ag0A Ag03 56.82(2) . . ?
Ag02 Ag0A Ag0I 68.05(2) . . ?
Ag04 Ag0A Ag02 111.18(3) . . ?
Ag04 Ag0A Ag03 106.49(3) . . ?
Ag04 Ag0A Ag05 60.48(2) . . ?
Ag04 Ag0A Ag08 61.40(2) . . ?
Ag04 Ag0A Ag0I 162.81(3) . . ?
Ag05 Ag0A Ag02 64.43(2) . . ?
Ag05 Ag0A Ag03 107.80(3) . . ?
Ag05 Ag0A Ag0I 128.27(3) . . ?
Ag08 Ag0A Ag02 105.98(3) . . ?
Ag08 Ag0A Ag03 57.56(2) . . ?
Ag08 Ag0A Ag05 109.64(3) . . ?
Ag08 Ag0A Ag0I 101.81(3) . . ?
Ag0I Ag0A Ag03 57.98(2) . . ?
S00R Ag0A Ag01 155.95(6) . . ?
S00R Ag0A Ag02 98.11(6) . . ?
S00R Ag0A Ag03 109.02(6) . . ?
S00R Ag0A Ag04 142.53(6) . . ?
S00R Ag0A Ag05 117.49(6) . . ?
S00R Ag0A Ag08 132.66(6) . . ?
S00R Ag0A Ag0I 51.19(6) . . ?
Ag01 Ag0B Ag02 59.49(2) . . ?
Ag01 Ag0B Ag03 59.39(2) . . ?
Ag01 Ag0B Ag06 55.89(2) . . ?
Ag01 Ag0B Ag07 58.10(2) . . ?
Ag01 Ag0B Ag0D 58.69(2) . . ?
Ag01 Ag0B Ag0J 110.16(3) . . ?
Ag01 Ag0B Ag0M 99.77(3) . . ?
Ag02 Ag0B Ag03 60.93(2) . . ?
Ag02 Ag0B Ag06 106.05(3) . . ?
Ag02 Ag0B Ag07 111.19(3) . . ?
Ag02 Ag0B Ag0D 60.11(2) . . ?
Ag02 Ag0B Ag0J 160.14(3) . . ?
Ag02 Ag0B Ag0M 113.60(3) . . ?
Ag03 Ag0B Ag06 57.84(2) . . ?
Ag03 Ag0B Ag07 106.11(3) . . ?
Ag03 Ag0B Ag0D 109.09(3) . . ?
Ag03 Ag0B Ag0J 99.33(3) . . ?
Ag03 Ag0B Ag0M 158.84(3) . . ?
Ag06 Ag0B Ag0M 108.99(3) . . ?
Ag07 Ag0B Ag06 56.51(2) . . ?
Ag07 Ag0B Ag0J 70.33(2) . . ?
Ag07 Ag0B Ag0M 55.09(2) . . ?
Ag0D Ag0B Ag06 107.44(3) . . ?
Ag0D Ag0B Ag07 64.82(2) . . ?
Ag0D Ag0B Ag0J 131.76(3) . . ?
Ag0D Ag0B Ag0M 56.35(2) . . ?
Ag0J Ag0B Ag06 57.30(2) . . ?
Ag0J Ag0B Ag0M 83.95(3) . . ?
S00W Ag0B Ag01 155.40(7) . . ?
S00W Ag0B Ag02 143.85(7) . . ?
S00W Ag0B Ag03 131.22(7) . . ?
S00W Ag0B Ag06 107.73(6) . . ?
S00W Ag0B Ag07 98.02(6) . . ?
S00W Ag0B Ag0D 119.52(7) . . ?
S00W Ag0B Ag0J 50.44(6) . . ?
S00W Ag0B Ag0M 66.34(6) . . ?
Ag01 Ag0C Ag04 58.04(2) . . ?
Ag01 Ag0C Ag06 58.84(2) . . ?
Ag01 Ag0C Ag07 59.38(2) . . ?
Ag01 Ag0C Ag08 55.59(2) . . ?
Ag01 Ag0C Ag09 58.64(2) . . ?
Ag01 Ag0C Ag0H 109.90(3) . . ?
Ag04 Ag0C Ag08 56.90(2) . . ?
Ag04 Ag0C Ag0H 68.82(2) . . ?
Ag06 Ag0C Ag04 105.37(3) . . ?
Ag06 Ag0C Ag08 56.62(2) . . ?
Ag06 Ag0C Ag09 108.89(3) . . ?
Ag06 Ag0C Ag0H 100.69(3) . . ?
Ag07 Ag0C Ag04 111.27(3) . . ?
Ag07 Ag0C Ag06 60.64(2) . . ?
Ag07 Ag0C Ag08 105.14(3) . . ?
Ag07 Ag0C Ag09 60.65(2) . . ?
Ag07 Ag0C Ag0H 161.10(3) . . ?
Ag09 Ag0C Ag04 64.65(2) . . ?
Ag09 Ag0C Ag08 107.33(3) . . ?
Ag09 Ag0C Ag0H 129.70(3) . . ?
Ag0H Ag0C Ag08 58.24(2) . . ?
S00U Ag0C Ag01 155.42(6) . . ?
S00U Ag0C Ag04 97.83(6) . . ?
S00U Ag0C Ag06 132.75(6) . . ?
S00U Ag0C Ag07 143.50(6) . . ?
S00U Ag0C Ag08 109.16(6) . . ?
S00U Ag0C Ag09 118.22(6) . . ?
S00U Ag0C Ag0H 50.99(6) . . ?
Ag01 Ag0D Ag02 59.24(2) . . ?
Ag01 Ag0D Ag05 58.53(2) . . ?
Ag01 Ag0D Ag07 55.90(2) . . ?
Ag01 Ag0D Ag09 58.77(2) . . ?
Ag01 Ag0D Ag0B 58.82(2) . . ?
Ag01 Ag0D Ag0M 110.11(3) . . ?
Ag02 Ag0D Ag05 65.04(2) . . ?
Ag02 Ag0D Ag07 105.58(3) . . ?
Ag02 Ag0D Ag09 111.60(3) . . ?
Ag02 Ag0D Ag0B 59.30(2) . . ?
Ag02 Ag0D Ag0M 125.92(3) . . ?
Ag05 Ag0D Ag07 104.81(3) . . ?
Ag05 Ag0D Ag0M 159.96(3) . . ?
Ag09 Ag0D Ag05 60.05(2) . . ?
Ag09 Ag0D Ag07 57.16(2) . . ?
Ag09 Ag0D Ag0M 100.16(3) . . ?
Ag0B Ag0D Ag05 110.51(3) . . ?
Ag0B Ag0D Ag07 58.47(2) . . ?
Ag0B Ag0D Ag09 106.98(3) . . ?
Ag0B Ag0D Ag0M 70.30(3) . . ?
Ag0M Ag0D Ag07 57.67(2) . . ?
S013 Ag0D Ag01 153.77(8) . . ?
S013 Ag0D Ag02 113.92(7) . . ?
S013 Ag0D Ag05 145.28(8) . . ?
S013 Ag0D Ag07 108.44(7) . . ?
S013 Ag0D Ag09 134.47(7) . . ?
S013 Ag0D Ag0B 95.38(8) . . ?
S013 Ag0D Ag0M 50.77(7) . . ?
Ag0H Ag0E Ag0K 78.10(2) . . ?
S00Q Ag0E Ag0H 63.33(5) . . ?
S00Q Ag0E Ag0K 44.92(5) . . ?
S00U Ag0E Ag0H 45.70(5) . . ?
S00U Ag0E Ag0K 64.00(5) . . ?
S00U Ag0E S00Q 84.81(7) . . ?
P014 Ag0E Ag0H 149.78(7) . . ?
P014 Ag0E Ag0K 90.64(6) . . ?
P014 Ag0E S00Q 125.53(8) . . ?
P014 Ag0E S00U 104.16(8) . . ?
P016 Ag0E Ag0H 94.24(6) . . ?
P016 Ag0E Ag0K 147.70(7) . . ?
P016 Ag0E S00Q 103.52(8) . . ?
P016 Ag0E S00U 130.35(8) . . ?
P016 Ag0E P014 109.22(9) . . ?
Ag02 Ag0F Ag05 62.50(2) . . ?
Ag02 Ag0F Ag0G 96.22(3) . . ?
Ag05 Ag0F Ag0G 140.45(3) . . ?
S00T Ag0F Ag02 53.96(6) . . ?
S00T Ag0F Ag05 116.25(6) . . ?
S00T Ag0F Ag0G 56.93(6) . . ?
S00T Ag0F S012 169.19(8) . . ?
S012 Ag0F Ag02 115.25(6) . . ?
S012 Ag0F Ag05 53.12(6) . . ?
S012 Ag0F Ag0G 128.74(7) . . ?
Ag0I Ag0G Ag0F 78.36(2) . . ?
S00R Ag0G Ag0F 64.10(5) . . ?
S00R Ag0G Ag0I 47.16(5) . . ?
S00R Ag0G S00T 86.38(7) . . ?
S00T Ag0G Ag0F 44.54(5) . . ?
S00T Ag0G Ag0I 64.52(5) . . ?
P00Y Ag0G Ag0F 92.04(6) . . ?
P00Y Ag0G Ag0I 147.82(7) . . ?
P00Y Ag0G S00R 100.99(8) . . ?
P00Y Ag0G S00T 127.14(8) . . ?
P010 Ag0G Ag0F 143.07(7) . . ?
P010 Ag0G Ag0I 94.50(6) . . ?
P010 Ag0G S00R 133.98(8) . . ?
P010 Ag0G S00T 99.54(8) . . ?
P010 Ag0G P00Y 110.49(8) . . ?
Ag08 Ag0H Ag04 54.19(2) . . ?
Ag08 Ag0H Ag0C 63.52(2) . . ?
Ag08 Ag0H Ag0E 144.30(3) . . ?
Ag0C Ag0H Ag04 54.97(2) . . ?
Ag0C Ag0H Ag0E 96.56(3) . . ?
Ag0E Ag0H Ag04 90.13(2) . . ?
S00U Ag0H Ag04 89.83(6) . . ?
S00U Ag0H Ag08 117.60(6) . . ?
S00U Ag0H Ag0C 54.16(6) . . ?
S00U Ag0H Ag0E 53.40(6) . . ?
S00V Ag0H Ag04 81.36(6) . . ?
S00V Ag0H Ag08 52.77(6) . . ?
S00V Ag0H Ag0C 115.93(7) . . ?
S00V Ag0H Ag0E 131.23(7) . . ?
S00V Ag0H S00U 169.79(9) . . ?
Ag03 Ag0I Ag02 54.32(2) . . ?
Ag03 Ag0I Ag0A 63.03(2) . . ?
Ag03 Ag0I Ag0G 146.26(3) . . ?
Ag0A Ag0I Ag02 55.38(2) . . ?
Ag0A Ag0I Ag0G 96.99(3) . . ?
Ag0G Ag0I Ag02 92.09(3) . . ?
S00R Ag0I Ag02 90.23(6) . . ?
S00R Ag0I Ag03 116.24(6) . . ?
S00R Ag0I Ag0A 53.38(5) . . ?
S00R Ag0I Ag0G 53.75(6) . . ?
S011 Ag0I Ag02 83.11(7) . . ?
S011 Ag0I Ag03 53.50(6) . . ?
S011 Ag0I Ag0A 116.39(7) . . ?
S011 Ag0I Ag0G 134.00(8) . . ?
S011 Ag0I S00R 169.75(9) . . ?
Ag06 Ag0J Ag0B 62.47(2) . . ?
Ag06 Ag0J Ag0L 142.32(3) . . ?
Ag0B Ag0J Ag0L 96.91(3) . . ?
S00W Ag0J Ag06 114.64(6) . . ?
S00W Ag0J Ag0B 52.17(6) . . ?
S00W Ag0J Ag0L 55.16(6) . . ?
S00Z Ag0J Ag06 53.26(6) . . ?
S00Z Ag0J Ag0B 115.63(6) . . ?
S00Z Ag0J Ag0L 131.69(7) . . ?
S00Z Ag0J S00W 167.68(9) . . ?
Ag04 Ag0K Ag09 63.01(2) . . ?
Ag04 Ag0K Ag0E 95.46(3) . . ?
Ag09 Ag0K Ag0E 141.33(3) . . ?
S00Q Ag0K Ag04 54.26(6) . . ?
S00Q Ag0K Ag09 117.26(6) . . ?
S00Q Ag0K Ag0E 52.88(6) . . ?
S00S Ag0K Ag04 116.30(7) . . ?
S00S Ag0K Ag09 53.34(6) . . ?
S00S Ag0K Ag0E 132.65(7) . . ?
S00S Ag0K S00Q 170.53(9) . . ?
S00W Ag0L Ag0J 46.83(6) . . ?
S00X Ag0L Ag0J 65.54(6) . . ?
S00X Ag0L S00W 83.35(7) . . ?
P015 Ag0L Ag0J 88.82(6) . . ?
P015 Ag0L S00W 127.74(9) . . ?
P015 Ag0L S00X 104.22(9) . . ?
P015 Ag0L P017 111.77(9) . . ?
P017 Ag0L Ag0J 149.41(8) . . ?
P017 Ag0L S00W 103.34(9) . . ?
P017 Ag0L S00X 125.94(10) . . ?
Ag07 Ag0M Ag0B 54.79(2) . . ?
Ag07 Ag0M Ag0D 63.37(2) . . ?
Ag0D Ag0M Ag0B 53.34(2) . . ?
S00X Ag0M Ag07 54.59(6) . . ?
S00X Ag0M Ag0B 88.20(6) . . ?
S00X Ag0M Ag0D 117.95(7) . . ?
S013 Ag0M Ag07 116.50(7) . . ?
S013 Ag0M Ag0B 84.95(7) . . ?
S013 Ag0M Ag0D 53.13(7) . . ?
S013 Ag0M S00X 171.03(10) . . ?
C01F Fe0N C01R 40.9(4) . . ?
C01F Fe0N C02G 41.6(4) . . ?
C01F Fe0N C037 170.6(5) . . ?
C01F Fe0N C03K 68.8(4) . . ?
C01F Fe0N C042 148.3(4) . . ?
C01F Fe0N C04I 68.9(4) . . ?
C01R Fe0N C037 147.2(5) . . ?
C01R Fe0N C03K 67.1(4) . . ?
C01U Fe0N C01F 109.6(4) . . ?
C01U Fe0N C01R 133.4(4) . . ?
C01U Fe0N C021 41.1(4) . . ?
C01U Fe0N C02B 40.9(4) . . ?
C01U Fe0N C02G 116.8(5) . . ?
C01U Fe0N C037 68.0(4) . . ?
C01U Fe0N C03K 148.4(4) . . ?
C01U Fe0N C042 68.6(4) . . ?
C01U Fe0N C04I 171.5(4) . . ?
C021 Fe0N C01F 116.2(4) . . ?
C021 Fe0N C01R 109.7(4) . . ?
C021 Fe0N C02G 149.4(4) . . ?
C021 Fe0N C037 68.5(4) . . ?
C021 Fe0N C03K 169.2(4) . . ?
C021 Fe0N C042 41.0(4) . . ?
C021 Fe0N C04I 131.3(5) . . ?
C02B Fe0N C01F 132.1(5) . . ?
C02B Fe0N C01R 172.2(5) . . ?
C02B Fe0N C021 69.2(4) . . ?
C02B Fe0N C02G 108.5(5) . . ?
C02B Fe0N C037 40.3(5) . . ?
C02B Fe0N C03K 115.4(5) . . ?
C02B Fe0N C042 68.4(5) . . ?
C02B Fe0N C04I 146.1(4) . . ?
C02G Fe0N C01R 68.3(5) . . ?
C02G Fe0N C037 130.4(4) . . ?
C02G Fe0N C03K 40.4(4) . . ?
C02G Fe0N C042 168.6(4) . . ?
C02G Fe0N C04I 68.1(5) . . ?
C03K Fe0N C037 108.1(4) . . ?
C042 Fe0N C01R 116.2(5) . . ?
C042 Fe0N C037 40.4(4) . . ?
C042 Fe0N C03K 130.0(4) . . ?
C042 Fe0N C04I 108.0(5) . . ?
C04I Fe0N C01R 40.3(4) . . ?
C04I Fe0N C037 114.8(5) . . ?
C04I Fe0N C03K 39.7(5) . . ?
C01J Fe0O C027 110.3(5) . . ?
C01J Fe0O C035 41.1(5) . . ?
C01J Fe0O C038 133.3(5) . . ?
C01J Fe0O C03D 116.8(5) . . ?
C01J Fe0O C041 148.6(5) . . ?
C01J Fe0O C04R 169.7(5) . . ?
C01J Fe0O C06E 42.3(5) . . ?
C01J Fe0O C06L 69.6(5) . . ?
C01J Fe0O C07M 69.5(5) . . ?
C027 Fe0O C035 117.5(5) . . ?
C027 Fe0O C038 40.8(5) . . ?
C027 Fe0O C03D 41.8(5) . . ?
C027 Fe0O C041 69.0(5) . . ?
C027 Fe0O C04R 66.8(5) . . ?
C027 Fe0O C06E 134.0(5) . . ?
C027 Fe0O C06L 147.9(5) . . ?
C027 Fe0O C07M 171.8(5) . . ?
C035 Fe0O C038 110.0(5) . . ?
C035 Fe0O C03D 150.2(5) . . ?
C035 Fe0O C041 168.2(5) . . ?
C035 Fe0O C07M 68.1(5) . . ?
C038 Fe0O C041 67.8(5) . . ?
C03D Fe0O C038 69.1(5) . . ?
C03D Fe0O C041 41.1(5) . . ?
C03D Fe0O C07M 130.5(5) . . ?
C04R Fe0O C035 130.4(5) . . ?
C04R Fe0O C038 38.1(5) . . ?
C04R Fe0O C03D 68.2(5) . . ?
C04R Fe0O C041 40.9(5) . . ?
C04R Fe0O C07M 114.9(6) . . ?
C06E Fe0O C035 69.2(5) . . ?
C06E Fe0O C038 174.1(5) . . ?
C06E Fe0O C03D 108.6(5) . . ?
C06E Fe0O C041 114.3(5) . . ?
C06E Fe0O C04R 146.8(5) . . ?
C06E Fe0O C06L 68.7(5) . . ?
C06E Fe0O C07M 40.5(5) . . ?
C06L Fe0O C035 40.9(5) . . ?
C06L Fe0O C038 114.7(6) . . ?
C06L Fe0O C03D 168.1(5) . . ?
C06L Fe0O C041 128.4(5) . . ?
C06L Fe0O C04R 107.3(6) . . ?
C06L Fe0O C07M 40.2(6) . . ?
C07M Fe0O C038 145.1(5) . . ?
C07M Fe0O C041 106.7(5) . . ?
C03Z Fe0P C04O 41.5(5) . . ?
C03Z Fe0P C06T 40.0(5) . . ?
C043 Fe0P C03Z 151.8(5) . . ?
C043 Fe0P C04O 118.6(5) . . ?
C043 Fe0P C04Z 41.8(6) . . ?
C043 Fe0P C058 69.1(5) . . ?
C043 Fe0P C064 41.2(5) . . ?
C043 Fe0P C06B 69.6(6) . . ?
C043 Fe0P C06T 167.9(6) . . ?
C043 Fe0P C07H 130.4(6) . . ?
C04Z Fe0P C03Z 117.8(6) . . ?
C04Z Fe0P C04O 111.6(5) . . ?
C04Z Fe0P C058 68.4(6) . . ?
C04Z Fe0P C064 68.9(6) . . ?
C04Z Fe0P C06B 41.3(5) . . ?
C04Z Fe0P C06T 147.1(6) . . ?
C04Z Fe0P C07H 171.9(6) . . ?
C058 Fe0P C03Z 128.2(5) . . ?
C058 Fe0P C04O 169.1(6) . . ?
C058 Fe0P C064 40.5(6) . . ?
C058 Fe0P C06B 39.6(6) . . ?
C058 Fe0P C06T 104.9(6) . . ?
C058 Fe0P C07H 112.7(6) . . ?
C05L Fe0P C03Z 69.1(6) . . ?
C05L Fe0P C043 109.9(6) . . ?
C05L Fe0P C04O 41.4(5) . . ?
C05L Fe0P C04Z 134.7(5) . . ?
C05L Fe0P C058 146.1(6) . . ?
C05L Fe0P C064 115.9(6) . . ?
C05L Fe0P C06B 174.2(6) . . ?
C05L Fe0P C06T 68.7(6) . . ?
C05L Fe0P C07H 40.5(5) . . ?
C064 Fe0P C03Z 166.0(5) . . ?
C064 Fe0P C04O 150.3(6) . . ?
C064 Fe0P C06B 67.8(6) . . ?
C064 Fe0P C06T 127.7(6) . . ?
C06B Fe0P C03Z 108.4(6) . . ?
C06B Fe0P C04O 133.3(6) . . ?
C06B Fe0P C06T 113.0(6) . . ?
C06T Fe0P C04O 69.0(5) . . ?
C07H Fe0P C03Z 68.3(6) . . ?
C07H Fe0P C04O 69.0(6) . . ?
C07H Fe0P C064 106.4(6) . . ?
C07H Fe0P C06B 144.2(5) . . ?
C07H Fe0P C06T 40.9(6) . . ?
Ag04 S00Q Ag0E 128.65(9) . . ?
Ag0K S00Q Ag04 74.56(7) . . ?
Ag0K S00Q Ag0E 82.20(7) . . ?
C01O S00Q Ag04 104.4(3) . . ?
C01O S00Q Ag0E 126.8(3) . . ?
C01O S00Q Ag0K 112.3(4) . . ?
Ag0A S00R Ag0G 130.45(9) . . ?
Ag0I S00R Ag0A 75.42(7) . . ?
Ag0I S00R Ag0G 79.09(7) . . ?
C01E S00R Ag0A 106.9(3) . . ?
C01E S00R Ag0G 121.6(3) . . ?
C01E S00R Ag0I 110.1(4) . . ?
Ag0K S00S Ag09 75.49(7) . . ?
C02R S00S Ag09 114.2(4) . . ?
C02R S00S Ag0K 104.7(4) . . ?
Ag02 S00T Ag0G 123.41(9) . . ?
Ag0F S00T Ag02 75.39(7) . . ?
Ag0F S00T Ag0G 78.52(7) . . ?
C01Q S00T Ag02 103.9(3) . . ?
C01Q S00T Ag0F 110.6(4) . . ?
C01Q S00T Ag0G 132.2(4) . . ?
Ag0C S00U Ag0E 129.59(9) . . ?
Ag0H S00U Ag0C 74.84(7) . . ?
Ag0H S00U Ag0E 80.91(7) . . ?
C01Z S00U Ag0C 106.6(3) . . ?
C01Z S00U Ag0E 123.5(3) . . ?
C01Z S00U Ag0H 111.9(4) . . ?
Ag0H S00V Ag08 75.98(7) . . ?
C036 S00V Ag08 114.4(4) . . ?
C036 S00V Ag0H 106.9(4) . . ?
Ag0B S00W Ag0L 130.37(10) . . ?
Ag0J S00W Ag0B 77.38(8) . . ?
Ag0J S00W Ag0L 78.01(7) . . ?
C029 S00W Ag0B 106.2(4) . . ?
C029 S00W Ag0J 109.7(4) . . ?
C029 S00W Ag0L 122.6(4) . . ?
Ag07 S00X Ag0L 129.87(10) . . ?
Ag0M S00X Ag07 74.19(7) . . ?
Ag0M S00X Ag0L 86.79(8) . . ?
C02X S00X Ag07 104.4(5) . . ?
C02X S00X Ag0L 125.7(5) . . ?
C02X S00X Ag0M 110.8(5) . . ?
C01A P00Y Ag0G 121.4(3) . . ?
C01A P00Y C021 101.8(5) . . ?
C01A P00Y C024 101.4(5) . . ?
C021 P00Y Ag0G 110.6(3) . . ?
C021 P00Y C024 106.5(5) . . ?
C024 P00Y Ag0G 113.5(4) . . ?
Ag0J S00Z Ag06 75.26(7) . . ?
C03P S00Z Ag06 109.4(3) . . ?
C03P S00Z Ag0J 108.3(4) . . ?
C01F P010 Ag0G 108.8(4) . . ?
C01F P010 C01S 105.2(5) . . ?
C01F P010 C031 102.5(5) . . ?
C01S P010 Ag0G 115.6(4) . . ?
C031 P010 Ag0G 121.3(4) . . ?
C031 P010 C01S 101.7(5) . . ?
Ag0I S011 Ag03 75.16(8) . . ?
C034 S011 Ag03 112.2(6) . . ?
C034 S011 Ag0I 105.3(6) . . ?
Ag0F S012 Ag05 75.99(7) . . ?
C05K S012 Ag05 112.9(5) . . ?
C05K S012 Ag0F 106.3(6) . . ?
Ag0M S013 Ag0D 76.10(8) . . ?
C07C S013 Ag0D 112.5(9) . . ?
C07C S013 Ag0M 107.4(9) . . ?
C01J P014 Ag0E 111.3(4) . . ?
C01J P014 C01P 103.9(5) . . ?
C01J P014 C026 104.8(6) . . ?
C01P P014 Ag0E 119.1(4) . . ?
C01P P014 C026 102.3(5) . . ?
C026 P014 Ag0E 114.0(3) . . ?
C025 P015 Ag0L 116.4(4) . . ?
C03Q P015 Ag0L 120.0(4) . . ?
C03Q P015 C025 101.5(6) . . ?
C04O P015 Ag0L 109.8(4) . . ?
C04O P015 C025 104.1(6) . . ?
C04O P015 C03Q 103.1(6) . . ?
C02T P016 Ag0E 115.3(4) . . ?
C02T P016 C033 102.7(5) . . ?
C033 P016 Ag0E 118.6(4) . . ?
C03D P016 Ag0E 110.6(4) . . ?
C03D P016 C02T 105.7(6) . . ?
C03D P016 C033 102.5(6) . . ?
C043 P017 Ag0L 108.4(4) . . ?
C043 P017 C05D 105.2(6) . . ?
C065 P017 Ag0L 114.9(5) . . ?
C065 P017 C043 107.1(7) . . ?
C065 P017 C05D 102.1(6) . . ?
C05D P017 Ag0L 118.3(4) . . ?
C01Z C018 C01H 109.0(9) . . ?
C02O C019 C01A 122.8(10) . . ?
C019 C01A P00Y 124.9(8) . . ?
C01D C01A P00Y 119.3(8) . . ?
C01D C01A C019 115.7(10) . . ?
C01X C01B C01E 111.1(9) . . ?
C03V C01C C01Q 109.6(10) . . ?
C01K C01D C01A 122.0(10) . . ?
C01B C01E S00R 108.9(7) . . ?
C01B C01E C02D 108.7(9) . . ?
C01G C01E S00R 108.6(7) . . ?
C01G C01E C01B 109.2(9) . . ?
C01G C01E C02D 109.7(9) . . ?
C02D C01E S00R 111.8(8) . . ?
P010 C01F Fe0N 128.5(6) . . ?
C01R C01F Fe0N 69.7(6) . . ?
C01R C01F P010 124.1(8) . . ?
C01R C01F C02G 105.7(9) . . ?
C02G C01F Fe0N 69.2(6) . . ?
C02G C01F P010 130.1(8) . . ?
C01E C01G C05O 108.3(9) . . ?
C02N C01H C018 110.0(9) . . ?
C02N C01H C06M 109.1(10) . . ?
C06M C01H C018 109.6(9) . . ?
C04H C01I C024 120.5(10) . . ?
P014 C01J Fe0O 125.5(6) . . ?
C035 C01J Fe0O 70.2(7) . . ?
C035 C01J P014 130.8(10) . . ?
C035 C01J C06E 106.4(11) . . ?
C06E C01J Fe0O 69.2(7) . . ?
C06E C01J P014 122.9(9) . . ?
C02S C01K C01D 119.3(10) . . ?
C01S C01L C03S 117.9(12) . . ?
C01O C01M C032 110.2(9) . . ?
C029 C01N C05F 108.8(11) . . ?
C01M C01O S00Q 107.5(7) . . ?
C02E C01O S00Q 112.6(7) . . ?
C02E C01O C01M 108.5(9) . . ?
C02E C01O C02U 110.5(9) . . ?
C02U C01O S00Q 109.3(7) . . ?
C02U C01O C01M 108.3(9) . . ?
C01T C01P P014 118.3(8) . . ?
C01T C01P C02J 118.6(11) . . ?
C02J C01P P014 123.0(9) . . ?
C01C C01Q S00T 108.2(8) . . ?
C02W C01Q S00T 109.5(8) . . ?
C02W C01Q C01C 110.1(10) . . ?
C04N C01Q S00T 111.3(8) . . ?
C04N C01Q C01C 108.3(10) . . ?
C04N C01Q C02W 109.5(10) . . ?
C01F C01R Fe0N 69.4(7) . . ?
C04I C01R Fe0N 69.8(7) . . ?
C04I C01R C01F 109.3(10) . . ?
C01L C01S P010 120.0(10) . . ?
C02V C01S P010 119.4(9) . . ?
C02V C01S C01L 120.4(11) . . ?
C04G C01T C01P 122.2(11) . . ?
C021 C01U Fe0N 69.8(6) . . ?
C02B C01U Fe0N 69.9(7) . . ?
C02B C01U C021 108.6(10) . . ?
C05W C01V C020 122.9(12) . . ?
C01Z C01W C02K 108.9(9) . . ?
C01B C01X C028 108.0(10) . . ?
C01B C01X C03R 110.0(9) . . ?
C03R C01X C028 108.8(10) . . ?
C033 C01Y C03H 120.8(11) . . ?
C018 C01Z S00U 106.7(7) . . ?
C01W C01Z S00U 107.4(7) . . ?
C01W C01Z C018 107.9(9) . . ?
C04U C01Z S00U 113.5(7) . . ?
C04U C01Z C018 110.2(9) . . ?
C04U C01Z C01W 110.9(9) . . ?
C01V C020 B06Z 125.0(11) . . ?
C03F C020 C01V 114.3(11) . . ?
C03F C020 B06Z 120.7(11) . . ?
P00Y C021 Fe0N 124.6(6) . . ?
C01U C021 Fe0N 69.1(6) . . ?
C01U C021 P00Y 122.3(8) . . ?
C042 C021 Fe0N 69.6(6) . . ?
C042 C021 P00Y 131.0(8) . . ?
C042 C021 C01U 106.7(9) . . ?
C03P C022 C039 109.5(10) . . ?
C02M C023 C03Q 119.8(12) . . ?
C01I C024 P00Y 118.9(8) . . ?
C01I C024 C03O 118.3(10) . . ?
C03O C024 P00Y 122.8(9) . . ?
C02A C025 P015 119.0(9) . . ?
C02A C025 C045 118.5(11) . . ?
C045 C025 P015 122.5(9) . . ?
C02C C026 P014 118.9(8) . . ?
C02C C026 C04W 118.8(11) . . ?
C04W C026 P014 122.2(9) . . ?
C038 C027 Fe0O 70.7(8) . . ?
C038 C027 C03D 107.8(11) . . ?
C03D C027 Fe0O 69.7(7) . . ?
C02I C028 C01X 109.0(10) . . ?
C01N C029 S00W 111.5(8) . . ?
C01N C029 C03G 111.1(11) . . ?
C01N C029 C03W 110.6(11) . . ?
C03G C029 S00W 107.1(8) . . ?
C03G C029 C03W 108.9(10) . . ?
C03W C029 S00W 107.6(9) . . ?
C025 C02A C02Z 121.4(11) . . ?
C01U C02B Fe0N 69.2(7) . . ?
C037 C02B Fe0N 71.4(7) . . ?
C037 C02B C01U 108.2(10) . . ?
C026 C02C C05I 121.6(10) . . ?
C01E C02D C02I 108.4(9) . . ?
C01O C02E C04P 109.9(9) . . ?
C03P C02F C03L 108.6(9) . . ?
C01F C02G Fe0N 69.2(6) . . ?
C03K C02G Fe0N 71.0(6) . . ?
C03K C02G C01F 108.0(10) . . ?
C078 C02H C032 110.6(10) . . ?
C028 C02I C02D 110.2(10) . . ?
C028 C02I C053 110.2(10) . . ?
C053 C02I C02D 109.3(9) . . ?
C04S C02J C01P 119.0(12) . . ?
C02N C02K C01W 110.4(9) . . ?
C02N C02K C05A 108.6(9) . . ?
C05A C02K C01W 109.3(9) . . ?
C03Q C02L C03N 122.2(11) . . ?
C023 C02M C051 121.6(12) . . ?
C01H C02N C02K 110.1(9) . . ?
C019 C02O C02S 118.5(11) . . ?
C05U C02P C047 120.6(13) . . ?
C04E C02Q C02Z 117.1(11) . . ?
C03A C02R S00S 107.6(9) . . ?
C03A C02R C04D 111.7(11) . . ?
C03A C02R C04Q 110.0(10) . . ?
C04D C02R S00S 113.0(8) . . ?
C04D C02R C04Q 107.7(11) . . ?
C04Q C02R S00S 106.7(8) . . ?
C01K C02S C02O 121.7(11) . . ?
C03I C02T P016 123.4(10) . . ?
C03I C02T C03U 118.2(12) . . ?
C03U C02T P016 118.3(9) . . ?
C01O C02U C078 110.4(9) . . ?
C040 C02V C01S 123.3(12) . . ?
C01Q C02W C04K 108.6(10) . . ?
C04Y C02X S00X 110.1(9) . . ?
C04Y C02X C069 111.7(13) . . ?
C04Y C02X C06U 110.6(13) . . ?
C069 C02X S00X 107.3(10) . . ?
C069 C02X C06U 108.9(12) . . ?
C06U C02X S00X 108.1(10) . . ?
C061 C02Y C039 109.5(10) . . ?
C02A C02Z C02Q 120.1(11) . . ?
C061 C030 C03L 111.3(10) . . ?
C04L C031 P010 124.7(9) . . ?
C04L C031 C05H 118.2(11) . . ?
C05H C031 P010 117.1(9) . . ?
C02H C032 C01M 109.4(9) . . ?
C02H C032 C04X 110.3(9) . . ?
C04X C032 C01M 108.1(9) . . ?
C01Y C033 P016 118.2(9) . . ?
C01Y C033 C068 118.6(11) . . ?
C068 C033 P016 123.0(9) . . ?
C070 C034 S011 111.7(12) . . ?
C08F C034 S011 115.3(12) . . ?
C08F C034 C070 101.0(18) . . ?
C08F C034 C08K 114.7(15) . . ?
C08K C034 S011 111.5(14) . . ?
C08K C034 C070 101.1(16) . . ?
C01J C035 Fe0O 68.7(7) . . ?
C01J C035 C06L 108.7(12) . . ?
C06L C035 Fe0O 69.4(7) . . ?
C055 C036 S00V 106.5(8) . . ?
C06R C036 S00V 108.4(8) . . ?
C06R C036 C055 109.9(10) . . ?
C06S C036 S00V 112.4(8) . . ?
C06S C036 C055 108.9(11) . . ?
C06S C036 C06R 110.8(11) . . ?
C02B C037 Fe0N 68.3(7) . . ?
C02B C037 C042 107.7(9) . . ?
C042 C037 Fe0N 68.3(6) . . ?
C027 C038 Fe0O 68.5(8) . . ?
C04R C038 Fe0O 70.1(9) . . ?
C04R C038 C027 108.1(12) . . ?
C022 C039 C02Y 110.3(10) . . ?
C022 C039 C050 110.2(10) . . ?
C050 C039 C02Y 109.3(10) . . ?
C02R C03A C03M 109.1(11) . . ?
C04F C03B C05C 114.9(13) . . ?
C04F C03B B1 127.1(13) . . ?
C05C C03B B1 118.0(13) . . ?
C047 C03C C05V 115.0(12) . . ?
C047 C03C B06Z 124.3(12) . . ?
C05V C03C B06Z 120.7(11) . . ?
P016 C03D Fe0O 126.4(7) . . ?
C027 C03D Fe0O 68.5(7) . . ?
C027 C03D P016 122.3(9) . . ?
C041 C03D Fe0O 70.0(7) . . ?
C041 C03D P016 131.4(10) . . ?
C041 C03D C027 106.3(11) . . ?
C068 C03E C048 118.8(12) . . ?
C020 C03F C05G 123.1(12) . . ?
C029 C03G C03T 108.6(10) . . ?
C048 C03H C01Y 121.0(12) . . ?
C02T C03I C057 121.3(13) . . ?
C03Y C03J C07L 120.1(14) . . ?
C02G C03K Fe0N 68.6(6) . . ?
C04I C03K Fe0N 69.0(7) . . ?
C04I C03K C02G 108.4(9) . . ?
C030 C03L C02F 108.1(9) . . ?
C050 C03L C02F 110.7(10) . . ?
C050 C03L C030 108.7(10) . . ?
C04C C03M C03A 108.6(11) . . ?
C04C C03M C062 109.6(12) . . ?
C062 C03M C03A 106.4(10) . . ?
C02L C03N C051 121.1(13) . . ?
C04A C03O C024 121.1(11) . . ?
C022 C03P S00Z 108.2(8) . . ?
C022 C03P C02F 110.0(9) . . ?
C02F C03P S00Z 107.6(8) . . ?
C059 C03P S00Z 111.8(8) . . ?
C059 C03P C022 110.5(10) . . ?
C059 C03P C02F 108.8(9) . . ?
C023 C03Q P015 123.5(10) . . ?
C02L C03Q P015 118.6(9) . . ?
C02L C03Q C023 118.0(11) . . ?
C05O C03R C01X 110.3(11) . . ?
C03X C03S C01L 119.1(12) . . ?
C03G C03T C06J 109.4(11) . . ?
C049 C03T C03G 109.3(11) . . ?
C049 C03T C06J 110.2(11) . . ?
C074 C03U C02T 120.4(12) . . ?
C054 C03V C01C 108.7(11) . . ?
C06K C03V C01C 109.8(11) . . ?
C06K C03V C054 110.2(11) . . ?
C073 C03W C029 109.0(11) . . ?
C03S C03X C040 122.9(12) . . ?
C03J C03Y C06F 114.6(12) . . ?
C03J C03Y B06Z 124.6(12) . . ?
C06F C03Y B06Z 120.7(12) . . ?
C04O C03Z Fe0P 69.7(7) . . ?
C06T C03Z Fe0P 70.2(8) . . ?
C06T C03Z C04O 109.1(12) . . ?
C02V C040 C03X 116.2(13) . . ?
C03D C041 Fe0O 68.9(7) . . ?
C04R C041 Fe0O 68.8(7) . . ?
C04R C041 C03D 105.8(12) . . ?
C021 C042 Fe0N 69.4(6) . . ?
C037 C042 Fe0N 71.3(6) . . ?
C037 C042 C021 108.9(10) . . ?
P017 C043 Fe0P 126.0(7) . . ?
C04Z C043 Fe0P 69.2(8) . . ?
C04Z C043 P017 119.6(10) . . ?
C064 C043 Fe0P 70.7(8) . . ?
C064 C043 P017 133.7(12) . . ?
C064 C043 C04Z 106.7(12) . . ?
C06V C044 C04B 123.6(14) . . ?
C04E C045 C025 119.7(12) . . ?
C04U C046 C06M 108.6(10) . . ?
C05A C046 C04U 110.0(10) . . ?
C05A C046 C06M 110.2(10) . . ?
C03C C047 C02P 122.6(13) . . ?
C03H C048 C03E 119.9(12) . . ?
C03T C049 C05F 109.8(11) . . ?
C03O C04A C05T 118.9(11) . . ?
C044 C04B B06Z 124.2(12) . . ?
C067 C04B C044 115.6(13) . . ?
C067 C04B B06Z 120.1(12) . . ?
C056 C04C C03M 111.2(11) . . ?
C05Y C04D C02R 109.0(10) . . ?
C045 C04E C02Q 123.1(12) . . ?
C05Q C04F C03B 123.6(13) . . ?
C01T C04G C05R 118.6(12) . . ?
C05T C04H C01I 120.9(11) . . ?
C01R C04I Fe0N 69.9(7) . . ?
C03K C04I Fe0N 71.3(7) . . ?
C03K C04I C01R 108.5(10) . . ?
C056 C04J C05Y 110.5(12) . . ?
C02W C04K C054 107.7(10) . . ?
C07J C04K C02W 111.9(11) . . ?
C07J C04K C054 109.8(11) . . ?
C031 C04L C06D 122.0(12) . . ?
C060 C04M C06C 113.4(11) . . ?
C01Q C04N C052 110.8(11) . . ?
P015 C04O Fe0P 125.7(7) . . ?
C03Z C04O Fe0P 68.7(7) . . ?
C03Z C04O P015 129.6(10) . . ?
C05L C04O Fe0P 65.9(8) . . ?
C05L C04O P015 125.9(10) . . ?
C05L C04O C03Z 104.4(11) . . ?
C04X C04P C02E 108.6(9) . . ?
C04X C04P C05E 110.2(10) . . ?
C05E C04P C02E 109.6(9) . . ?
C02R C04Q C056 107.2(10) . . ?
C038 C04R Fe0O 71.7(8) . . ?
C038 C04R C041 111.9(12) . . ?
C041 C04R Fe0O 70.4(8) . . ?
C05R C04S C02J 122.2(12) . . ?
C072 C04T C060 108.9(11) . . ?
C01Z C04U C046 109.8(9) . . ?
C06P C04V C05C 123.0(13) . . ?
C05J C04W C026 121.6(12) . . ?
C04P C04X C032 109.6(9) . . ?
C02X C04Y C071 108.6(12) . . ?
C043 C04Z Fe0P 68.9(8) . . ?
C06B C04Z Fe0P 70.8(9) . . ?
C06B C04Z C043 107.8(13) . . ?
C03L C050 C039 108.4(10) . . ?
C03N C051 C02M 117.4(12) . . ?
C04N C052 C07J 108.7(11) . . ?
C06K C052 C04N 110.1(11) . . ?
C06K C052 C07J 107.0(11) . . ?
C05O C053 C02I 108.1(10) . . ?
C03V C054 C04K 108.7(11) . . ?
C036 C055 C060 109.6(10) . . ?
C04C C056 C04J 109.8(11) . . ?
C04C C056 C04Q 110.7(11) . . ?
C04J C056 C04Q 108.4(10) . . ?
C06A C057 C03I 119.8(12) . . ?
C064 C058 Fe0P 70.1(8) . . ?
C06B C058 Fe0P 70.9(9) . . ?
C06B C058 C064 109.7(12) . . ?
C03P C059 C061 109.6(9) . . ?
C046 C05A C02K 109.5(9) . . ?
C05I C05B C05J 118.1(12) . . ?
C04V C05C C03B 119.7(14) . . ?
C04P C05E C078 109.9(9) . . ?
C049 C05F C01N 107.9(10) . . ?
C076 C05F C01N 108.4(11) . . ?
C076 C05F C049 110.6(11) . . ?
C05S C05G C03F 119.3(12) . . ?
C075 C05H C031 116.8(12) . . ?
C05B C05I C02C 118.9(12) . . ?
C04W C05J C05B 120.7(12) . . ?
C07S C05K S012 110.0(11) . . ?
C07S C05K C07Z 106.0(14) . . ?
C07S C05K C081 110.0(14) . . ?
C07Z C05K S012 112.1(11) . . ?
C07Z C05K C081 111.0(15) . . ?
C081 C05K S012 107.8(10) . . ?
C04O C05L Fe0P 72.6(8) . . ?
C07H C05L Fe0P 71.7(9) . . ?
C07H C05L C04O 110.6(13) . . ?
C07A C05M C06H 120.7(15) . . ?
C03R C05O C01G 111.6(10) . . ?
C03R C05O C053 111.7(10) . . ?
C053 C05O C01G 107.6(10) . . ?
C06X C05P C067 121.3(14) . . ?
C04F C05Q C06P 121.9(14) . . ?
C04S C05R C04G 119.4(12) . . ?
C05W C05S C05G 120.3(13) . . ?
C04H C05T C04A 120.2(11) . . ?
C02P C05U C06N 118.7(13) . . ?
C06N C05V C03C 122.2(13) . . ?
C05S C05W C01V 120.0(12) . . ?
C07V C05X C071 115.6(15) . . ?
C04J C05Y C04D 107.1(11) . . ?
C062 C05Y C04D 109.2(12) . . ?
C062 C05Y C04J 112.6(11) . . ?
C063 C05Z C07F 114.5(14) . . ?
C063 C05Z B1 119.7(13) . . ?
C07F C05Z B1 125.7(13) . . ?
C04M C060 C04T 112.4(12) . . ?
C04M C060 C055 108.1(11) . . ?
C04T C060 C055 105.3(10) . . ?
C02Y C061 C059 109.0(10) . . ?
C030 C061 C02Y 109.4(10) . . ?
C030 C061 C059 108.6(10) . . ?
C05Y C062 C03M 111.0(11) . . ?
C05Z C063 C06W 124.6(15) . . ?
C043 C064 Fe0P 68.2(8) . . ?
C058 C064 Fe0P 69.4(9) . . ?
C058 C064 C043 108.0(13) . . ?
C06H C065 P017 123.4(13) . . ?
C07O C065 P017 119.1(11) . . ?
C07O C065 C06H 117.0(15) . . ?
C07R C066 C07F 118.3(14) . . ?
C04B C067 C05P 121.9(14) . . ?
C03E C068 C033 121.0(11) . . ?
C02X C069 C07V 110.3(12) . . ?
C057 C06A C074 121.5(13) . . ?
C04Z C06B Fe0P 67.9(8) . . ?
C058 C06B Fe0P 69.5(9) . . ?
C058 C06B C04Z 107.7(13) . . ?
C04M C06C C06O 109.0(12) . . ?
C04M C06C C06R 106.8(11) . . ?
C06O C06C C06R 105.5(10) . . ?
C07P C06D C04L 119.3(14) . . ?
C01J C06E Fe0O 68.5(7) . . ?
C07M C06E Fe0O 70.5(8) . . ?
C07M C06E C01J 107.6(12) . . ?
C07B C06F C03Y 125.8(15) . . ?
C06I C06G C077 122.8(16) . . ?
C05M C06H C065 120.1(16) . . ?
C06G C06I C06Q 116.0(15) . . ?
C06G C06I B1 119.5(13) . . ?
C06Q C06I B1 124.3(13) . . ?
C073 C06J C03T 109.2(10) . . ?
C03V C06K C052 109.2(11) . . ?
C035 C06L Fe0O 69.7(7) . . ?
C07M C06L Fe0O 70.4(8) . . ?
C07M C06L C035 108.1(12) . . ?
C01H C06M C046 108.3(9) . . ?
C05U C06N C05V 120.7(14) . . ?
C072 C06O C06C 112.4(12) . . ?
C05Q C06P C04V 116.9(13) . . ?
C08A C06Q C06I 122.5(16) . . ?
C036 C06R C06C 110.1(11) . . ?
C036 C06S C072 109.0(10) . . ?
C03Z C06T Fe0P 69.7(8) . . ?
C03Z C06T C07H 107.6(12) . . ?
C07H C06T Fe0P 68.3(8) . . ?
C02X C06U C07I 107.0(12) . . ?
C044 C06V C06X 119.2(15) . . ?
C07R C06W C063 120.1(14) . . ?
C05P C06X C06V 118.1(15) . . ?
C080 C06Y C07D 110.4(15) . . ?
C020 B06Z C04B 107.1(10) . . ?
C03C B06Z C020 108.4(10) . . ?
C03C B06Z C03Y 112.6(10) . . ?
C03C B06Z C04B 109.1(10) . . ?
C03Y B06Z C020 110.3(10) . . ?
C03Y B06Z C04B 109.1(10) . . ?
C034 C070 C23 118.1(16) . . ?
C05X C071 C04Y 103.4(13) . . ?
C07G C071 C04Y 109.2(14) . . ?
C07G C071 C05X 112.3(15) . . ?
C04T C072 C06S 108.4(11) . . ?
C06O C072 C04T 112.3(11) . . ?
C06O C072 C06S 109.0(12) . . ?
C06J C073 C03W 108.3(11) . . ?
C076 C073 C03W 109.4(11) . . ?
C076 C073 C06J 111.1(12) . . ?
C03U C074 C06A 118.7(13) . . ?
C07P C075 C05H 124.4(13) . . ?
C073 C076 C05F 109.7(11) . . ?
C06G C077 C087 118.8(16) . . ?
C02H C078 C02U 109.8(9) . . ?
C02H C078 C05E 109.1(9) . . ?
C02U C078 C05E 107.5(9) . . ?
C08E C079 C07Y 120.0 . . ?
C08W C08E C079 120.0 . . ?
C6 C08W C08E 120.0 . . ?
C08B C6 C08W 120.0 . . ?
C6 C08B C07Y 120.0 . . ?
C079 C07Y C08U 120.2(12) . . ?
C08B C07Y C079 120.0 . . ?
C08B C07Y C08U 119.8(12) . . ?
C05M C07A C086 119.4(17) . . ?
C06F C07B C07E 117.9(15) . . ?
C08Q C07C S013 116.2(17) . . ?
C08Q C07C C22 111(3) . . ?
C08Q C07C C24 100(2) . . ?
C22 C07C S013 114.6(15) . . ?
C24 C07C S013 114(2) . . ?
C24 C07C C22 99(2) . . ?
C07K C07D C06Y 110.7(16) . . ?
C07K C07D C07S 108.4(14) . . ?
C07S C07D C06Y 107.9(14) . . ?
C07L C07E C07B 118.8(14) . . ?
C05Z C07F C066 122.7(14) . . ?
C07I C07G C071 111.6(15) . . ?
C05L C07H Fe0P 67.9(9) . . ?
C05L C07H C06T 108.2(13) . . ?
C06T C07H Fe0P 70.8(9) . . ?
C07G C07I C06U 109.2(13) . . ?
C07G C07I C07X 115.0(15) . . ?
C07X C07I C06U 104.8(13) . . ?
C04K C07J C052 111.7(11) . . ?
C07T C07K C07D 110.8(16) . . ?
C07E C07L C03J 122.8(15) . . ?
C06E C07M Fe0O 69.0(8) . . ?
C06L C07M Fe0O 69.4(8) . . ?
C06L C07M C06E 109.2(12) . . ?
C08D C07N C07U 123.9(17) . . ?
C065 C07O C086 124.6(15) . . ?
C075 C07P C06D 119.2(13) . . ?
C06W C07R C066 119.8(14) . . ?
C05K C07S C07D 111.7(15) . . ?
C07K C07T C081 106.1(15) . . ?
C07K C07T C08O 113.3(15) . . ?
C08O C07T C081 105.3(14) . . ?
C07N C07U C08G 113.5(15) . . ?
C07N C07U B1 120.9(15) . . ?
C08G C07U B1 125.2(14) . . ?
C05X C07V C069 104.1(13) . . ?
C05X C07V C07X 112.9(14) . . ?
C07X C07V C069 102.0(13) . . ?
C08M C07W C08F 100.1(15) . . ?
C26 C07W C08F 97.7(15) . . ?
C26 C07W C08M 111.7(17) . . ?
C07I C07X C07V 111.0(14) . . ?
C05K C07Z C080 111.8(14) . . ?
C06Y C080 C07Z 107.5(15) . . ?
C06Y C080 C08O 110.0(15) . . ?
C08O C080 C07Z 106.5(14) . . ?
C05K C081 C07T 109.6(13) . . ?
C07O C086 C07A 117.4(17) . . ?
C08A C087 C077 119.9(16) . . ?
C23 C089 C08N 122.1(18) . . ?
C087 C08A C06Q 120.0(17) . . ?
C07N C08D C08Z 119.2(17) . . ?
C034 C08F C07W 116.9(15) . . ?
C27 C08G C07U 126.4(17) . . ?
C034 C08K C08N 112.9(17) . . ?
C23 C08M C07W 121.5(19) . . ?
C089 C08N C08K 102.5(16) . . ?
C089 C08N C26 106.1(17) . . ?
C26 C08N C08K 108.2(16) . . ?
C07T C08O C080 112.7(16) . . ?
C07C C08Q C08R 115(2) . . ?
C53 C08R C08Q 107(2) . . ?
C59 C08R C08Q 98(2) . . ?
C59 C08R C53 111(3) . . ?
C088 C08T C08Y 120.0 . . ?
C088 C08T C12 117.6(17) . . ?
C08Y C08T C12 122.4(17) . . ?
C08T C088 C085 120.0 . . ?
C08C C085 C088 120.0 . . ?
C085 C08C C08J 120.0 . . ?
C08C C08J C08Y 120.0 . . ?
C08J C08Y C08T 120.0 . . ?
C27 C08Z C08D 117.4(17) . . ?
C03B B1 C05Z 109.3(12) . . ?
C03B B1 C06I 105.0(11) . . ?
C05Z B1 C06I 110.2(11) . . ?
C07U B1 C03B 114.3(12) . . ?
C07U B1 C05Z 108.1(11) . . ?
C07U B1 C06I 109.9(12) . . ?
C083 C7 C090 120.0 . . ?
C7 C083 C05D 120.0 . . ?
C083 C05D P017 122.3(6) . . ?
C05N C05D P017 117.7(6) . . ?
C05N C05D C083 120.0 . . ?
C084 C05N C05D 120.0 . . ?
C05N C084 C090 120.0 . . ?
C084 C090 C7 120.0 . . ?
C49 C0AA C22 105(2) . . ?
C49 C0AA C53 113(3) . . ?
C53 C0AA C22 107.2(19) . . ?
C13 C11 C15 120.0 . . ?
C19 C13 C11 120.0 . . ?
C13 C19 C18 120.0 . . ?
C70 C19 C13 139(2) . . ?
C70 C19 C18 100(2) . . ?
C19 C18 C70 36.8(11) . . ?
C5 C18 C19 120.0 . . ?
C5 C18 C70 156.3(11) . . ?
C18 C5 C15 120.0 . . ?
C5 C15 C11 120.0 . . ?
C46 C16 C2 121(2) . . ?
C46 C16 C69 120.0 . . ?
C69 C16 C2 118(2) . . ?
C16 C46 C68 120.0 . . ?
C72 C68 C46 120.0 . . ?
C57 C72 C68 120.0 . . ?
C69 C57 C72 120.0 . . ?
C57 C69 C16 120.0 . . ?
C0AA C22 C07C 114(2) . . ?
C089 C23 C070 107.4(17) . . ?
C08M C23 C070 99.3(16) . . ?
C08M C23 C089 101.3(16) . . ?
C56 C24 C07C 119(3) . . ?
C07W C26 C08N 117.7(17) . . ?
C08G C27 C08Z 118.5(19) . . ?
C0AA C49 C56 114(3) . . ?
C08R C53 C0AA 115(3) . . ?
C49 C56 C24 100(2) . . ?
C59 C56 C24 108.9(19) . . ?
C59 C56 C49 110(2) . . ?
C56 C59 C08R 117(3) . . ?
C19 C70 C18 43.2(15) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.385 0.000 -0.440 2275.7 287.6 ?
2 0.031 0.409 0.270 9.4 0.0 ?
3 -0.031 0.591 0.730 9.4 0.0 ?
4 0.111 0.674 -0.020 7.3 0.0 ?
5 0.182 0.235 0.916 8.9 0.0 ?
6 0.222 0.585 0.210 8.2 0.0 ?
7 0.500 0.500 0.000 384.6 8.7 ?
8 0.269 0.259 0.473 7.3 0.0 ?
9 0.389 0.844 0.033 7.3 0.0 ?
10 0.439 0.851 0.836 18.1 0.0 ?
11 0.444 0.302 0.562 21.4 0.0 ?
12 0.556 0.698 0.438 21.4 0.0 ?
13 0.561 0.149 0.164 18.1 0.0 ?
14 0.611 0.156 0.967 7.3 0.0 ?
15 0.731 0.741 0.527 7.3 0.0 ?
16 0.778 0.415 0.790 8.2 0.0 ?
17 0.818 0.765 0.084 8.9 0.0 ?
18 0.889 0.326 0.020 7.3 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
