#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:09:21 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179033 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/31/4123142.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4123142
loop_
_publ_author_name
'Omoto, Kenichiro'
'Tashiro, Shohei'
'Kuritani, Masumi'
'Shionoya, Mitsuhiko'
_publ_section_title
;
 Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π
 Interactions within a Dimetal Macrocycle.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              141216134140000
_journal_paper_doi               10.1021/ja5106249
_journal_year                    2014
_chemical_formula_moiety
'C120 H92 Ag2 N4 O2, 2(C4 H10 O), 2(C H Cl3), 2(F6 Sb)'
_chemical_formula_sum            'C65 H57 Ag Cl3 F6 N2 O2 Sb'
_chemical_formula_weight         1348.14
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.1138(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.7926(4)
_cell_length_b                   13.3933(3)
_cell_length_c                   24.5823(6)
_cell_measurement_reflns_used    48629
_cell_measurement_temperature    96
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
_cell_volume                     5784.0(2)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      96
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            93506
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_T_max  0.904
_exptl_absorpt_correction_T_min  0.575
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2720.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.110
_refine_diff_density_min         -1.830
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     801
_refine_ls_number_reflns         13256
_refine_ls_number_restraints     19
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1309P)²+25.9089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2368
_reflns_number_gt                9885
_reflns_number_total             13256
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja5106249_si_002.cif
_cod_data_source_block           1211292
_cod_original_cell_volume        5784.0(3)
_cod_database_code               4123142
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
H51A H 0.5471 1.0463 -0.0561 0.1092 Uiso 0.69(2) 4 calc R
H51B H 0.6129 1.0252 -0.0914 0.1092 Uiso 0.69(2) 4 calc R
H51D H 0.6040 0.9436 -0.0462 0.1092 Uiso 0.31(2) 4 calc R
H51C H 0.5446 1.0356 -0.0539 0.1092 Uiso 0.31(2) 4 calc R
Sb1 Sb 0.09685(3) 0.80559(4) 0.36209(2) 0.04299(15) Uani 1.0 4 d .
F2 F 0.0673(3) 0.9023(4) 0.40942(17) 0.0525(10) Uani 1.0 4 d .
F1 F 0.0815(3) 0.8973(4) 0.30405(17) 0.0570(11) Uani 1.0 4 d .
F3 F 0.1977(3) 0.8493(4) 0.38110(18) 0.0618(12) Uani 1.0 4 d .
F6 F 0.1258(3) 0.7097(4) 0.3142(2) 0.0728(15) Uani 1.0 4 d .
F4 F 0.1123(3) 0.7137(4) 0.42032(18) 0.0623(12) Uani 1.0 4 d .
F5 F -0.0048(3) 0.7641(4) 0.34530(17) 0.0567(11) Uani 1.0 4 d .
Ag1 Ag 0.26918(3) 1.06246(4) 0.43332(2) 0.03936(15) Uani 1.0 4 d .
O1 O 0.6208(3) 1.1036(4) 0.15626(18) 0.0483(12) Uani 1.0 4 d .
N1 N 0.1531(3) 1.1060(4) 0.46050(19) 0.0358(11) Uani 1.0 4 d .
N2 N 0.1843(3) 1.1064(4) 0.35499(19) 0.0339(11) Uani 1.0 4 d .
C1 C 0.2175(4) 0.9773(6) 0.5658(3) 0.0387(14) Uani 1.0 4 d .
C1A C 0.4723(8) 1.1304(12) 0.5229(6) 0.070(5) Uani 0.566(9) 4 d .
C1B C 0.3965(8) 1.0756(14) 0.4808(6) 0.051(5) Uani 0.434(9) 4 d .
C2 C 0.1900(4) 0.9029(6) 0.5267(3) 0.0411(14) Uani 1.0 4 d .
C2A C 0.4814(8) 1.1326(12) 0.4678(7) 0.064(5) Uani 0.566(9) 4 d .
C2B C 0.3987(11) 1.0143(13) 0.5263(8) 0.038(4) Uani 0.434(9) 4 d .
C3 C 0.2096(4) 0.8061(6) 0.5349(3) 0.0484(17) Uani 1.0 4 d .
C3A C 0.4441(9) 1.0628(13) 0.4317(5) 0.064(6) Uani 0.566(9) 4 d .
C3B C 0.4250(9) 0.9159(11) 0.5284(7) 0.050(5) Uani 0.434(9) 4 d .
C4 C 0.2577(4) 0.7752(6) 0.5844(3) 0.0485(17) Uani 1.0 4 d .
C4A C 0.3947(8) 0.9904(12) 0.4473(7) 0.051(5) Uani 0.566(9) 4 d .
C4B C 0.4484(10) 0.8748(14) 0.4818(6) 0.056(5) Uani 0.434(9) 4 d .
C5 C 0.2857(4) 0.8447(6) 0.6229(3) 0.0441(15) Uani 1.0 4 d .
C5A C 0.3771(8) 1.0019(12) 0.5000(7) 0.049(4) Uani 0.566(9) 4 d .
C5B C 0.4294(11) 0.9264(15) 0.4318(8) 0.054(5) Uani 0.434(9) 4 d .
C6A C 0.4133(8) 1.0719(14) 0.5366(6) 0.059(5) Uani 0.566(9) 4 d .
C6B C 0.4103(12) 1.0255(16) 0.4346(10) 0.055(7) Uani 0.434(9) 4 d .
C6 C 0.2692(4) 0.9483(6) 0.6147(3) 0.0402(14) Uani 1.0 4 d .
C7 C 0.3002(4) 1.0210(5) 0.6529(3) 0.0374(14) Uani 1.0 4 d .
C7A C 0.5330(11) 1.1729(16) 0.5678(11) 0.109(9) Uani 0.566(9) 4 d .
C7B C 0.4136(12) 1.1853(14) 0.4867(9) 0.059(5) Uani 0.434(9) 4 d .
C8 C 0.2839(4) 1.1227(5) 0.6431(3) 0.0407(14) Uani 1.0 4 d .
C8A C 0.3891(12) 0.8896(16) 0.4202(11) 0.105(9) Uani 0.566(9) 4 d .
C8B C 0.5038(12) 0.7871(15) 0.4887(11) 0.067(6) Uani 0.434(9) 4 d .
C9 C 0.3203(4) 1.1994(6) 0.6796(3) 0.0434(15) Uani 1.0 4 d .
C10 C 0.3043(5) 1.2990(6) 0.6688(3) 0.0492(17) Uani 1.0 4 d .
C11 C 0.2512(5) 1.3264(6) 0.6217(3) 0.0496(17) Uani 1.0 4 d .
C12 C 0.2162(4) 1.2560(6) 0.5870(3) 0.0462(16) Uani 1.0 4 d .
C13 C 0.2313(4) 1.1534(6) 0.5951(3) 0.0418(15) Uani 1.0 4 d .
C14 C 0.1994(4) 1.0793(6) 0.5585(3) 0.0400(14) Uani 1.0 4 d .
C15 C 0.1379(4) 1.1079(6) 0.5123(3) 0.0387(14) Uani 1.0 4 d .
C16 C 0.0663(4) 1.1351(7) 0.5240(3) 0.0504(18) Uani 1.0 4 d .
C17 C 0.0080(4) 1.1563(6) 0.4820(3) 0.0482(17) Uani 1.0 4 d .
C18 C 0.0218(4) 1.1517(6) 0.4274(3) 0.0401(14) Uani 1.0 4 d .
C19 C 0.0954(4) 1.1274(5) 0.4186(3) 0.0364(13) Uani 1.0 4 d .
C20 C -0.0373(4) 1.1697(6) 0.3812(3) 0.0452(16) Uani 1.0 4 d .
C21 C -0.0227(4) 1.1674(6) 0.3292(3) 0.0458(16) Uani 1.0 4 d .
C22 C 0.1122(4) 1.1259(5) 0.3627(3) 0.0368(13) Uani 1.0 4 d .
C23 C 0.0526(4) 1.1454(6) 0.3187(3) 0.0406(14) Uani 1.0 4 d .
C24 C 0.0708(5) 1.1428(6) 0.2648(3) 0.0481(17) Uani 1.0 4 d .
C25 C 0.1455(4) 1.1250(6) 0.2578(3) 0.0441(15) Uani 1.0 4 d .
C26 C 0.2001(4) 1.1070(5) 0.3034(3) 0.0379(13) Uani 1.0 4 d .
C27 C 0.3043(4) 1.0004(5) 0.2766(3) 0.0382(13) Uani 1.0 4 d .
C28 C 0.2538(4) 0.9171(5) 0.2665(3) 0.0413(14) Uani 1.0 4 d .
C29 C 0.2790(4) 0.8288(6) 0.2506(3) 0.0450(15) Uani 1.0 4 d .
C30 C 0.3552(4) 0.8166(5) 0.2427(3) 0.0442(15) Uani 1.0 4 d .
C31 C 0.4048(4) 0.8944(5) 0.2504(3) 0.0412(14) Uani 1.0 4 d .
C32 C 0.3814(4) 0.9898(5) 0.2678(3) 0.0371(13) Uani 1.0 4 d .
C33 C 0.4330(4) 1.0702(5) 0.2773(3) 0.0359(13) Uani 1.0 4 d .
C34 C 0.4109(4) 1.1597(5) 0.2997(3) 0.0371(13) Uani 1.0 4 d .
C35 C 0.4627(4) 1.2398(6) 0.3144(3) 0.0425(15) Uani 1.0 4 d .
C36 C 0.4404(5) 1.3255(6) 0.3375(3) 0.0491(17) Uani 1.0 4 d .
C37 C 0.3643(5) 1.3383(6) 0.3464(3) 0.0496(17) Uani 1.0 4 d .
C38 C 0.3126(4) 1.2634(5) 0.3327(3) 0.0412(15) Uani 1.0 4 d .
C39 C 0.3332(4) 1.1718(5) 0.3101(3) 0.0392(14) Uani 1.0 4 d .
C40 C 0.2814(4) 1.0920(5) 0.2971(3) 0.0363(13) Uani 1.0 4 d .
C41 C 0.5118(4) 1.0592(5) 0.2659(3) 0.0359(13) Uani 1.0 4 d .
C42 C 0.5321(4) 1.0861(5) 0.2157(3) 0.0376(13) Uani 1.0 4 d .
C43 C 0.6078(4) 1.0754(5) 0.2070(3) 0.0392(14) Uani 1.0 4 d .
C44 C 0.6635(4) 1.0390(5) 0.2485(3) 0.0404(14) Uani 1.0 4 d .
C45 C 0.6421(4) 1.0113(5) 0.2991(3) 0.0377(14) Uani 1.0 4 d .
C46 C 0.5672(4) 1.0213(6) 0.3070(3) 0.0395(14) Uani 1.0 4 d .
C47 C 0.6989(5) 1.1040(7) 0.1459(3) 0.056(2) Uani 1.0 4 d .
C48 C 0.6966(5) 1.1298(8) 0.0854(3) 0.058(2) Uani 1.0 4 d .
C49 C 0.6485(5) 1.0604(7) 0.0467(3) 0.056(2) Uani 1.0 4 d .
C50 C 0.6539(6) 1.0789(8) -0.0136(4) 0.064(3) Uani 1.0 4 d .
C51 C 0.5981(8) 1.0158(10) -0.0546(4) 0.091(4) Uani 1.0 4 d .
C52a C 0.5888(11) 0.9085(16) -0.0473(7) 0.100(7) Uani 0.69(2) 4 d .
C52b C 0.6228(14) 1.0413(19) -0.1118(8) 0.046(7) Uani 0.31(2) 4 d .
H2 H 0.1570 0.9216 0.4940 0.0494 Uiso 1.0 4 calc R
H3 H 0.1914 0.7579 0.5076 0.0581 Uiso 1.0 4 calc R
H4 H 0.2700 0.7066 0.5904 0.0582 Uiso 1.0 4 calc R
H5 H 0.3170 0.8236 0.6559 0.0529 Uiso 1.0 4 calc R
H9 H 0.3554 1.1811 0.7113 0.0521 Uiso 1.0 4 calc R
H10 H 0.3287 1.3490 0.6927 0.0590 Uiso 1.0 4 calc R
H11 H 0.2401 1.3950 0.6145 0.0596 Uiso 1.0 4 calc R
H12 H 0.1804 1.2765 0.5562 0.0554 Uiso 1.0 4 calc R
H16 H 0.0580 1.1390 0.5612 0.0604 Uiso 1.0 4 calc R
H17 H -0.0409 1.1739 0.4898 0.0579 Uiso 1.0 4 calc R
H20 H -0.0876 1.1835 0.3876 0.0542 Uiso 1.0 4 calc R
H21 H -0.0623 1.1803 0.2994 0.0549 Uiso 1.0 4 calc R
H24 H 0.0324 1.1532 0.2338 0.0577 Uiso 1.0 4 calc R
H25 H 0.1590 1.1252 0.2219 0.0529 Uiso 1.0 4 calc R
H28 H 0.2020 0.9242 0.2711 0.0496 Uiso 1.0 4 calc R
H29 H 0.2449 0.7738 0.2447 0.0540 Uiso 1.0 4 calc R
H30 H 0.3721 0.7534 0.2319 0.0530 Uiso 1.0 4 calc R
H31 H 0.4556 0.8853 0.2442 0.0494 Uiso 1.0 4 calc R
H35 H 0.5139 1.2336 0.3081 0.0510 Uiso 1.0 4 calc R
H36 H 0.4764 1.3771 0.3477 0.0589 Uiso 1.0 4 calc R
H37 H 0.3493 1.3988 0.3618 0.0595 Uiso 1.0 4 calc R
H38 H 0.2615 1.2729 0.3386 0.0495 Uiso 1.0 4 calc R
H42 H 0.4948 1.1119 0.1873 0.0451 Uiso 1.0 4 calc R
H44 H 0.7149 1.0329 0.2427 0.0484 Uiso 1.0 4 calc R
H46 H 0.5533 1.0018 0.3413 0.0474 Uiso 1.0 4 calc R
H47A H 0.7224 1.0375 0.1540 0.0674 Uiso 1.0 4 calc R
H47B H 0.7292 1.1541 0.1695 0.0674 Uiso 1.0 4 calc R
H48A H 0.6766 1.1986 0.0790 0.0701 Uiso 1.0 4 calc R
H48B H 0.7491 1.1290 0.0769 0.0701 Uiso 1.0 4 calc R
H49A H 0.5947 1.0675 0.0520 0.0675 Uiso 1.0 4 calc R
H49B H 0.6643 0.9908 0.0562 0.0675 Uiso 1.0 4 calc R
H50A H 0.7065 1.0643 -0.0196 0.0762 Uiso 1.0 4 calc R
H50B H 0.6440 1.1504 -0.0219 0.0762 Uiso 1.0 4 calc R
Cl1 Cl 0.0481(3) 1.0695(4) 0.1002(3) 0.1388(15) Uiso 1.0 4 d .
Cl2 Cl 0.1468(3) 0.9116(4) 0.14689(18) 0.1327(14) Uani 1.0 4 d .
Cl3 Cl 0.0853(4) 0.9097(5) 0.0316(2) 0.183(3) Uani 1.0 4 d .
C1D C 0.0760(11) 0.9481(14) 0.0952(8) 0.141(6) Uiso 1.0 4 d .
O1E O 0.1467(7) 0.4015(9) 0.3304(5) 0.065(4) Uiso 0.549(14) 4 d .
C1E C 0.1762(11) 0.3797(15) 0.4302(8) 0.069(5) Uiso 0.549(14) 4 d .
C2E C 0.1144(13) 0.4135(18) 0.3808(8) 0.076(5) Uiso 0.549(14) 4 d .
C3E C 0.0932(13) 0.4276(17) 0.2816(8) 0.081(6) Uiso 0.549(14) 4 d .
C4E C 0.1294(12) 0.4153(16) 0.2303(9) 0.079(6) Uiso 0.549(14) 4 d .
O1F O 0.0880(9) 0.3769(12) 0.3555(7) 0.073(5) Uiso 0.451(14) 4 d .
C1F C 0.1541(18) 0.386(3) 0.4487(11) 0.089(8) Uiso 0.451(14) 4 d .
C2F C 0.1444(16) 0.4350(18) 0.3930(9) 0.084(8) Uiso 0.451(14) 4 d .
C3F C 0.0631(14) 0.4271(18) 0.3020(9) 0.076(7) Uiso 0.451(14) 4 d .
C4F C 0.1227(14) 0.429(2) 0.2647(12) 0.080(7) Uiso 0.451(14) 4 d .
H52A H 0.6380 0.8788 -0.0323 0.1200 Uiso 0.69(2) 4 calc R
H52B H 0.5694 0.8779 -0.0829 0.1200 Uiso 0.69(2) 4 calc R
H52C H 0.5526 0.8970 -0.0217 0.1200 Uiso 0.69(2) 4 calc R
H52D H 0.6785 1.0402 -0.1080 0.0557 Uiso 0.31(2) 4 calc R
H52E H 0.6040 1.1079 -0.1237 0.0557 Uiso 0.31(2) 4 calc R
H52F H 0.6013 0.9917 -0.1392 0.0557 Uiso 0.31(2) 4 calc R
H1EA H 0.2091 0.4364 0.4430 0.0831 Uiso 0.549(14) 4 calc R
H1EB H 0.2069 0.3258 0.4181 0.0831 Uiso 0.549(14) 4 calc R
H1EC H 0.1510 0.3558 0.4604 0.0831 Uiso 0.549(14) 4 calc R
H1FA H 0.2067 0.3632 0.4586 0.1074 Uiso 0.451(14) 4 calc R
H1FB H 0.1193 0.3295 0.4477 0.1074 Uiso 0.451(14) 4 calc R
H1FC H 0.1427 0.4349 0.4761 0.1074 Uiso 0.451(14) 4 calc R
H4EA H 0.1559 0.3510 0.2316 0.0945 Uiso 0.549(14) 4 calc R
H4EB H 0.1659 0.4695 0.2283 0.0945 Uiso 0.549(14) 4 calc R
H4EC H 0.0899 0.4175 0.1976 0.0945 Uiso 0.549(14) 4 calc R
H4FA H 0.1694 0.4599 0.2842 0.0958 Uiso 0.451(14) 4 calc R
H4FB H 0.1039 0.4683 0.2316 0.0958 Uiso 0.451(14) 4 calc R
H4FC H 0.1337 0.3609 0.2540 0.0958 Uiso 0.451(14) 4 calc R
H2EA H 0.0680 0.3721 0.3793 0.0910 Uiso 0.549(14) 4 calc R
H2EB H 0.1004 0.4842 0.3855 0.0910 Uiso 0.549(14) 4 calc R
H2FA H 0.1265 0.5047 0.3955 0.1012 Uiso 0.451(14) 4 calc R
H2FB H 0.1935 0.4363 0.3790 0.1012 Uiso 0.451(14) 4 calc R
H3EA H 0.0765 0.4976 0.2845 0.0977 Uiso 0.549(14) 4 calc R
H3EB H 0.0477 0.3842 0.2790 0.0977 Uiso 0.549(14) 4 calc R
H3FA H 0.0484 0.4966 0.3091 0.0912 Uiso 0.451(14) 4 calc R
H3FB H 0.0174 0.3926 0.2827 0.0912 Uiso 0.451(14) 4 calc R
H7AA H 0.5113 1.1773 0.6024 0.1310 Uiso 0.566(9) 4 calc R
H7AB H 0.5451 1.2417 0.5572 0.1310 Uiso 0.566(9) 4 calc R
H7BA H 0.3791 1.2150 0.5102 0.0703 Uiso 0.434(9) 4 calc R
H7BB H 0.4014 1.2165 0.4498 0.0703 Uiso 0.434(9) 4 calc R
H8AA H 0.3747 0.8984 0.3799 0.1259 Uiso 0.566(9) 4 calc R
H8AB H 0.3482 0.8509 0.4335 0.1259 Uiso 0.566(9) 4 calc R
H8BA H 0.5039 0.7558 0.4522 0.0799 Uiso 0.434(9) 4 calc R
H8BB H 0.4851 0.7367 0.5128 0.0799 Uiso 0.434(9) 4 calc R
H2A H 0.5129 1.1818 0.4549 0.0773 Uiso 0.566(9) 4 calc R
H2B H 0.3812 1.0406 0.5579 0.0451 Uiso 0.434(9) 4 calc R
H3A H 0.4524 1.0639 0.3945 0.0763 Uiso 0.566(9) 4 calc R
H3B H 0.4270 0.8777 0.5612 0.0600 Uiso 0.434(9) 4 calc R
H5A H 0.3391 0.9604 0.5113 0.0589 Uiso 0.566(9) 4 calc R
H5B H 0.4297 0.8941 0.3974 0.0642 Uiso 0.434(9) 4 calc R
H6A H 0.3976 1.0803 0.5715 0.0705 Uiso 0.566(9) 4 calc R
H6B H 0.4063 1.0630 0.4015 0.0661 Uiso 0.434(9) 4 calc R
H1D H 0.0309 0.9095 0.1032 0.1694 Uiso 1.0 4 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Sb Sb -0.5866 1.5461
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
F2 Sb1 F1 89.9(2) yes . .
F2 Sb1 F3 88.9(2) yes . .
F2 Sb1 F6 179.4(2) yes . .
F2 Sb1 F4 90.1(2) yes . .
F2 Sb1 F5 89.2(2) yes . .
F1 Sb1 F3 90.2(2) yes . .
F1 Sb1 F6 89.5(3) yes . .
F1 Sb1 F4 180.0(2) yes . .
F1 Sb1 F5 90.44(19) yes . .
F3 Sb1 F6 91.4(3) yes . .
F3 Sb1 F4 89.8(3) yes . .
F3 Sb1 F5 178.0(2) yes . .
F6 Sb1 F4 90.5(3) yes . .
F6 Sb1 F5 90.5(3) yes . .
F4 Sb1 F5 89.6(2) yes . .
N1 Ag1 N2 71.77(17) yes . .
N1 Ag1 C1B 130.8(4) yes . .
N1 Ag1 C4A 154.0(5) yes . .
N1 Ag1 C5A 121.5(4) yes . .
N2 Ag1 C1B 145.9(4) yes . .
N2 Ag1 C4A 133.3(5) yes . .
N2 Ag1 C5A 166.4(4) yes . .
C4A Ag1 C5A 33.2(6) yes . .
C43 O1 C47 118.0(5) yes . .
Ag1 N1 C15 126.5(4) yes . .
Ag1 N1 C19 115.4(4) yes . .
C15 N1 C19 118.1(6) yes . .
Ag1 N2 C22 116.0(4) yes . .
Ag1 N2 C26 125.3(4) yes . .
C22 N2 C26 118.5(5) yes . .
C2 C1 C6 118.7(7) yes . .
C2 C1 C14 123.2(6) yes . .
C6 C1 C14 118.0(6) yes . .
C2A C1A C6A 117.1(13) yes . .
C2A C1A C7A 121.2(15) yes . .
C6A C1A C7A 120.6(15) yes . .
Ag1 C1B C2B 104.8(11) yes . .
Ag1 C1B C6B 80.8(11) yes . .
Ag1 C1B C7B 106.3(11) yes . .
C2B C1B C6B 113.1(18) yes . .
C2B C1B C7B 121.6(15) yes . .
C6B C1B C7B 119.7(17) yes . .
C1 C2 C3 121.4(6) yes . .
C1A C2A C3A 119.4(14) yes . .
C1B C2B C3B 123.9(17) yes . .
C2 C3 C4 120.6(7) yes . .
C2A C3A C4A 123.4(14) yes . .
C2B C3B C4B 118.9(16) yes . .
C3 C4 C5 119.7(7) yes . .
Ag1 C4A C3A 106.9(11) yes . .
Ag1 C4A C5A 75.4(9) yes . .
Ag1 C4A C8A 107.6(11) yes . .
C3A C4A C5A 114.9(14) yes . .
C3A C4A C8A 120.0(16) yes . .
C5A C4A C8A 120.3(16) yes . .
C3B C4B C5B 117.7(17) yes . .
C3B C4B C8B 118.9(16) yes . .
C5B C4B C8B 122.6(18) yes . .
C4 C5 C6 121.4(6) yes . .
Ag1 C5A C4A 71.4(8) yes . .
Ag1 C5A C6A 116.3(11) yes . .
C4A C5A C6A 122.0(14) yes . .
C4B C5B C6B 117.2(18) yes . .
C1A C6A C5A 121.0(14) yes . .
C1B C6B C5B 126(2) yes . .
C1 C6 C5 118.0(6) yes . .
C1 C6 C7 119.9(6) yes . .
C5 C6 C7 122.1(6) yes . .
C6 C7 C8 120.7(6) yes . .
C6 C7 C45 118.2(6) yes . 3_676
C8 C7 C45 120.7(6) yes . 3_676
C1A C7A C8A 115.4(17) yes . 3_676
C1B C7B C8B 116.0(15) yes . 3_676
C7 C8 C9 121.5(6) yes . .
C7 C8 C13 120.3(6) yes . .
C9 C8 C13 118.2(6) yes . .
C4A C8A C7A 113.1(16) yes . 3_676
C4B C8B C7B 114.7(16) yes . 3_676
C8 C9 C10 120.5(6) yes . .
C9 C10 C11 119.8(7) yes . .
C10 C11 C12 120.8(7) yes . .
C11 C12 C13 122.2(6) yes . .
C8 C13 C12 118.5(6) yes . .
C8 C13 C14 117.9(7) yes . .
C12 C13 C14 123.5(6) yes . .
C1 C14 C13 123.0(6) yes . .
C1 C14 C15 118.0(6) yes . .
C13 C14 C15 118.7(6) yes . .
N1 C15 C14 118.7(6) yes . .
N1 C15 C16 121.9(6) yes . .
C14 C15 C16 119.4(6) yes . .
C15 C16 C17 120.2(7) yes . .
C16 C17 C18 119.1(7) yes . .
C17 C18 C19 117.9(6) yes . .
C17 C18 C20 122.0(6) yes . .
C19 C18 C20 120.1(6) yes . .
N1 C19 C18 122.8(6) yes . .
N1 C19 C22 118.0(6) yes . .
C18 C19 C22 119.2(5) yes . .
C18 C20 C21 121.2(7) yes . .
C20 C21 C23 120.3(6) yes . .
N2 C22 C19 118.5(5) yes . .
N2 C22 C23 122.7(6) yes . .
C19 C22 C23 118.7(6) yes . .
C21 C23 C22 120.5(6) yes . .
C21 C23 C24 122.3(6) yes . .
C22 C23 C24 117.2(6) yes . .
C23 C24 C25 119.2(6) yes . .
C24 C25 C26 119.5(7) yes . .
N2 C26 C25 122.8(6) yes . .
N2 C26 C40 116.7(5) yes . .
C25 C26 C40 120.4(6) yes . .
C28 C27 C32 119.2(6) yes . .
C28 C27 C40 122.1(7) yes . .
C32 C27 C40 118.6(6) yes . .
C27 C28 C29 120.5(7) yes . .
C28 C29 C30 120.9(7) yes . .
C29 C30 C31 120.6(7) yes . .
C30 C31 C32 121.0(7) yes . .
C27 C32 C31 117.7(6) yes . .
C27 C32 C33 120.9(6) yes . .
C31 C32 C33 121.3(6) yes . .
C32 C33 C34 120.2(6) yes . .
C32 C33 C41 120.2(6) yes . .
C34 C33 C41 119.5(6) yes . .
C33 C34 C35 122.3(6) yes . .
C33 C34 C39 119.9(6) yes . .
C35 C34 C39 117.8(6) yes . .
C34 C35 C36 121.3(7) yes . .
C35 C36 C37 121.0(7) yes . .
C36 C37 C38 119.7(7) yes . .
C37 C38 C39 121.6(7) yes . .
C34 C39 C38 118.5(6) yes . .
C34 C39 C40 118.7(6) yes . .
C38 C39 C40 122.8(7) yes . .
C26 C40 C27 119.6(6) yes . .
C26 C40 C39 118.9(6) yes . .
C27 C40 C39 121.5(6) yes . .
C33 C41 C42 122.0(6) yes . .
C33 C41 C46 118.8(6) yes . .
C42 C41 C46 119.2(6) yes . .
C41 C42 C43 120.0(6) yes . .
O1 C43 C42 114.7(6) yes . .
O1 C43 C44 124.4(6) yes . .
C42 C43 C44 120.9(6) yes . .
C43 C44 C45 118.5(7) yes . .
C7 C45 C44 121.6(6) yes 3_676 .
C7 C45 C46 118.1(6) yes 3_676 .
C44 C45 C46 120.1(6) yes . .
C41 C46 C45 121.2(6) yes . .
O1 C47 C48 107.1(6) yes . .
C47 C48 C49 113.8(8) yes . .
C48 C49 C50 113.6(8) yes . .
C49 C50 C51 114.4(8) yes . .
C50 C51 C52a 122.0(10) yes . .
C50 C51 C52b 102.8(12) yes . .
Cl1 C1D Cl2 113.9(11) yes . .
Cl1 C1D Cl3 115.6(11) yes . .
Cl2 C1D Cl3 115.7(12) yes . .
C2E O1E C3E 112.4(15) yes . .
O1E C2E C1E 107.7(17) yes . .
O1E C3E C4E 110.6(17) yes . .
C2F O1F C3F 113.1(17) yes . .
O1F C2F C1F 108(2) yes . .
O1F C3F C4F 114.2(19) yes . .
C1 C2 H2 119.318 no . .
C3 C2 H2 119.316 no . .
C1A C2A H2A 120.289 no . .
C3A C2A H2A 120.272 no . .
C1B C2B H2B 118.066 no . .
C3B C2B H2B 118.066 no . .
C2 C3 H3 119.695 no . .
C4 C3 H3 119.699 no . .
C2A C3A H3A 118.304 no . .
C4A C3A H3A 118.302 no . .
C2B C3B H3B 120.542 no . .
C4B C3B H3B 120.544 no . .
C3 C4 H4 120.119 no . .
C5 C4 H4 120.138 no . .
C4 C5 H5 119.279 no . .
C6 C5 H5 119.286 no . .
Ag1 C5A H5A 82.613 no . .
C4A C5A H5A 118.984 no . .
C6A C5A H5A 118.990 no . .
C4B C5B H5B 121.378 no . .
C6B C5B H5B 121.386 no . .
C1A C6A H6A 119.519 no . .
C5A C6A H6A 119.516 no . .
C1B C6B H6B 116.887 no . .
C5B C6B H6B 116.881 no . .
C1A C7A H7AA 108.419 no . .
C1A C7A H7AB 108.421 no . .
C8A C7A H7AA 108.417 no 3_676 .
C8A C7A H7AB 108.428 no 3_676 .
H7AA C7A H7AB 107.472 no . .
C1B C7B H7BA 108.300 no . .
C1B C7B H7BB 108.300 no . .
C8B C7B H7BA 108.278 no 3_676 .
C8B C7B H7BB 108.297 no 3_676 .
H7BA C7B H7BB 107.411 no . .
C4A C8A H8AA 108.950 no . .
C4A C8A H8AB 108.961 no . .
C7A C8A H8AA 108.965 no 3_676 .
C7A C8A H8AB 108.963 no 3_676 .
H8AA C8A H8AB 107.754 no . .
C4B C8B H8BA 108.588 no . .
C4B C8B H8BB 108.589 no . .
C7B C8B H8BA 108.590 no 3_676 .
C7B C8B H8BB 108.593 no 3_676 .
H8BA C8B H8BB 107.556 no . .
C8 C9 H9 119.741 no . .
C10 C9 H9 119.736 no . .
C9 C10 H10 120.099 no . .
C11 C10 H10 120.101 no . .
C10 C11 H11 119.622 no . .
C12 C11 H11 119.602 no . .
C11 C12 H12 118.928 no . .
C13 C12 H12 118.909 no . .
C15 C16 H16 119.919 no . .
C17 C16 H16 119.922 no . .
C16 C17 H17 120.472 no . .
C18 C17 H17 120.469 no . .
C18 C20 H20 119.415 no . .
C21 C20 H20 119.398 no . .
C20 C21 H21 119.864 no . .
C23 C21 H21 119.855 no . .
C23 C24 H24 120.410 no . .
C25 C24 H24 120.409 no . .
C24 C25 H25 120.261 no . .
C26 C25 H25 120.267 no . .
C27 C28 H28 119.748 no . .
C29 C28 H28 119.757 no . .
C28 C29 H29 119.525 no . .
C30 C29 H29 119.536 no . .
C29 C30 H30 119.697 no . .
C31 C30 H30 119.701 no . .
C30 C31 H31 119.505 no . .
C32 C31 H31 119.524 no . .
C34 C35 H35 119.377 no . .
C36 C35 H35 119.369 no . .
C35 C36 H36 119.496 no . .
C37 C36 H36 119.506 no . .
C36 C37 H37 120.136 no . .
C38 C37 H37 120.137 no . .
C37 C38 H38 119.192 no . .
C39 C38 H38 119.172 no . .
C41 C42 H42 120.000 no . .
C43 C42 H42 120.023 no . .
C43 C44 H44 120.736 no . .
C45 C44 H44 120.720 no . .
C41 C46 H46 119.379 no . .
C45 C46 H46 119.376 no . .
O1 C47 H47A 110.309 no . .
O1 C47 H47B 110.312 no . .
C48 C47 H47A 110.306 no . .
C48 C47 H47B 110.308 no . .
H47A C47 H47B 108.554 no . .
C47 C48 H48A 108.794 no . .
C47 C48 H48B 108.798 no . .
C49 C48 H48A 108.787 no . .
C49 C48 H48B 108.788 no . .
H48A C48 H48B 107.659 no . .
C48 C49 H49A 108.851 no . .
C48 C49 H49B 108.840 no . .
C50 C49 H49A 108.838 no . .
C50 C49 H49B 108.843 no . .
H49A C49 H49B 107.714 no . .
C49 C50 H50A 108.665 no . .
C49 C50 H50B 108.664 no . .
C51 C50 H50A 108.677 no . .
C51 C50 H50B 108.676 no . .
H50A C50 H50B 107.600 no . .
H51A C51 H51B 106.660 no . .
H51A C51 C50 106.816 no . .
H51A C51 C52a 106.819 no . .
H51B C51 C50 106.820 no . .
H51B C51 C52a 106.825 no . .
H51D C51 H51C 109.126 no . .
H51D C51 C50 111.214 no . .
H51D C51 C52b 111.210 no . .
H51C C51 C50 111.205 no . .
H51C C51 C52b 111.221 no . .
C51 C52a H52A 109.463 no . .
C51 C52a H52B 109.466 no . .
C51 C52a H52C 109.473 no . .
H52A C52a H52B 109.468 no . .
H52A C52a H52C 109.480 no . .
H52B C52a H52C 109.477 no . .
C51 C52b H52D 109.474 no . .
C51 C52b H52E 109.463 no . .
C51 C52b H52F 109.472 no . .
H52D C52b H52E 109.472 no . .
H52D C52b H52F 109.477 no . .
H52E C52b H52F 109.468 no . .
Cl1 C1D H1D 103.029 no . .
Cl2 C1D H1D 103.021 no . .
Cl3 C1D H1D 103.029 no . .
C2E C1E H1EA 109.472 no . .
C2E C1E H1EB 109.467 no . .
C2E C1E H1EC 109.472 no . .
H1EA C1E H1EB 109.463 no . .
H1EA C1E H1EC 109.481 no . .
H1EB C1E H1EC 109.471 no . .
O1E C2E H2EA 110.158 no . .
O1E C2E H2EB 110.150 no . .
C1E C2E H2EA 110.162 no . .
C1E C2E H2EB 110.168 no . .
H2EA C2E H2EB 108.464 no . .
O1E C3E H3EA 109.527 no . .
O1E C3E H3EB 109.535 no . .
C4E C3E H3EA 109.515 no . .
C4E C3E H3EB 109.521 no . .
H3EA C3E H3EB 108.088 no . .
C3E C4E H4EA 109.472 no . .
C3E C4E H4EB 109.472 no . .
C3E C4E H4EC 109.466 no . .
H4EA C4E H4EB 109.474 no . .
H4EA C4E H4EC 109.464 no . .
H4EB C4E H4EC 109.479 no . .
C2F C1F H1FA 109.476 no . .
C2F C1F H1FB 109.473 no . .
C2F C1F H1FC 109.472 no . .
H1FA C1F H1FB 109.474 no . .
H1FA C1F H1FC 109.467 no . .
H1FB C1F H1FC 109.465 no . .
O1F C2F H2FA 110.096 no . .
O1F C2F H2FB 110.096 no . .
C1F C2F H2FA 110.091 no . .
C1F C2F H2FB 110.096 no . .
H2FA C2F H2FB 108.421 no . .
O1F C3F H3FA 108.711 no . .
O1F C3F H3FB 108.712 no . .
C4F C3F H3FA 108.708 no . .
C4F C3F H3FB 108.710 no . .
H3FA C3F H3FB 107.627 no . .
C3F C4F H4FA 109.480 no . .
C3F C4F H4FB 109.475 no . .
C3F C4F H4FC 109.478 no . .
H4FA C4F H4FB 109.470 no . .
H4FA C4F H4FC 109.464 no . .
H4FB C4F H4FC 109.460 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Sb1 F2 1.872(5) yes .
Sb1 F1 1.869(5) yes .
Sb1 F3 1.875(5) yes .
Sb1 F6 1.869(6) yes .
Sb1 F4 1.874(5) yes .
Sb1 F5 1.874(5) yes .
Ag1 N1 2.342(6) yes .
Ag1 N2 2.327(5) yes .
Ag1 C1B 2.385(13) yes .
Ag1 C4A 2.407(14) yes .
Ag1 C5A 2.457(14) yes .
O1 C43 1.358(8) yes .
O1 C47 1.452(10) yes .
N1 C15 1.343(8) yes .
N1 C19 1.365(8) yes .
N2 C22 1.352(8) yes .
N2 C26 1.341(8) yes .
C1 C2 1.418(10) yes .
C1 C6 1.447(8) yes .
C1 C14 1.408(10) yes .
C1A C2A 1.39(3) yes .
C1A C6A 1.39(3) yes .
C1A C7A 1.53(3) yes .
C1B C2B 1.38(3) yes .
C1B C6B 1.37(3) yes .
C1B C7B 1.50(3) yes .
C2 C3 1.350(11) yes .
C2A C3A 1.38(2) yes .
C2B C3B 1.40(3) yes .
C3 C4 1.434(10) yes .
C3A C4A 1.40(3) yes .
C3B C4B 1.39(3) yes .
C4 C5 1.363(10) yes .
C4A C5A 1.39(3) yes .
C4A C8A 1.50(3) yes .
C4B C5B 1.40(3) yes .
C4B C8B 1.53(3) yes .
C5 C6 1.426(10) yes .
C5A C6A 1.38(3) yes .
C5B C6B 1.37(3) yes .
C6 C7 1.402(9) yes .
C7 C8 1.406(10) yes .
C7 C45 1.501(8) yes 3_676
C7A C8A 1.61(3) yes 3_676
C7B C8B 1.54(3) yes 3_676
C8 C9 1.448(10) yes .
C8 C13 1.444(9) yes .
C9 C10 1.380(11) yes .
C10 C11 1.422(10) yes .
C11 C12 1.355(10) yes .
C12 C13 1.409(11) yes .
C13 C14 1.399(10) yes .
C14 C15 1.497(8) yes .
C15 C16 1.399(10) yes .
C16 C17 1.371(9) yes .
C17 C18 1.404(10) yes .
C18 C19 1.400(9) yes .
C18 C20 1.441(9) yes .
C19 C22 1.451(9) yes .
C20 C21 1.345(10) yes .
C21 C23 1.435(10) yes .
C22 C23 1.414(8) yes .
C23 C24 1.411(10) yes .
C24 C25 1.387(11) yes .
C25 C26 1.384(9) yes .
C26 C40 1.494(10) yes .
C27 C28 1.430(10) yes .
C27 C32 1.430(10) yes .
C27 C40 1.411(10) yes .
C28 C29 1.344(10) yes .
C29 C30 1.410(11) yes .
C30 C31 1.359(10) yes .
C31 C32 1.429(10) yes .
C32 C33 1.410(9) yes .
C33 C34 1.401(10) yes .
C33 C41 1.481(9) yes .
C34 C35 1.424(10) yes .
C34 C39 1.454(10) yes .
C35 C36 1.367(11) yes .
C36 C37 1.415(12) yes .
C37 C38 1.368(11) yes .
C38 C39 1.420(10) yes .
C39 C40 1.414(10) yes .
C41 C42 1.385(10) yes .
C41 C46 1.392(9) yes .
C42 C43 1.406(10) yes .
C43 C44 1.392(9) yes .
C44 C45 1.408(9) yes .
C45 C46 1.384(9) yes .
C47 C48 1.521(11) yes .
C48 C49 1.498(12) yes .
C49 C50 1.521(11) yes .
C50 C51 1.548(15) yes .
C51 C52a 1.46(3) yes .
C51 C52b 1.58(3) yes .
Cl1 C1D 1.710(19) yes .
Cl2 C1D 1.714(19) yes .
Cl3 C1D 1.68(2) yes .
O1E C2E 1.46(3) yes .
O1E C3E 1.45(2) yes .
C1E C2E 1.57(3) yes .
C3E C4E 1.52(3) yes .
O1F C2F 1.47(3) yes .
O1F C3F 1.48(3) yes .
C1F C2F 1.50(4) yes .
C3F C4F 1.51(4) yes .
H51A C51 0.990 no .
H51B C51 0.990 no .
H51D C51 0.990 no .
H51C C51 0.990 no .
C2 H2 0.950 no .
C2A H2A 0.950 no .
C2B H2B 0.950 no .
C3 H3 0.950 no .
C3A H3A 0.950 no .
C3B H3B 0.950 no .
C4 H4 0.950 no .
C5 H5 0.950 no .
C5A H5A 0.950 no .
C5B H5B 0.950 no .
C6A H6A 0.950 no .
C6B H6B 0.950 no .
C7A H7AA 0.990 no .
C7A H7AB 0.990 no .
C7B H7BA 0.990 no .
C7B H7BB 0.990 no .
C8A H8AA 0.990 no .
C8A H8AB 0.990 no .
C8B H8BA 0.990 no .
C8B H8BB 0.990 no .
C9 H9 0.950 no .
C10 H10 0.950 no .
C11 H11 0.950 no .
C12 H12 0.950 no .
C16 H16 0.950 no .
C17 H17 0.950 no .
C20 H20 0.950 no .
C21 H21 0.950 no .
C24 H24 0.950 no .
C25 H25 0.950 no .
C28 H28 0.950 no .
C29 H29 0.950 no .
C30 H30 0.950 no .
C31 H31 0.950 no .
C35 H35 0.950 no .
C36 H36 0.950 no .
C37 H37 0.950 no .
C38 H38 0.950 no .
C42 H42 0.950 no .
C44 H44 0.950 no .
C46 H46 0.950 no .
C47 H47A 0.990 no .
C47 H47B 0.990 no .
C48 H48A 0.990 no .
C48 H48B 0.990 no .
C49 H49A 0.990 no .
C49 H49B 0.990 no .
C50 H50A 0.990 no .
C50 H50B 0.990 no .
C52a H52A 0.980 no .
C52a H52B 0.980 no .
C52a H52C 0.980 no .
C52b H52D 0.980 no .
C52b H52E 0.980 no .
C52b H52F 0.980 no .
C1D H1D 1.000 no .
C1E H1EA 0.980 no .
C1E H1EB 0.980 no .
C1E H1EC 0.980 no .
C2E H2EA 0.990 no .
C2E H2EB 0.990 no .
C3E H3EA 0.990 no .
C3E H3EB 0.990 no .
C4E H4EA 0.980 no .
C4E H4EB 0.980 no .
C4E H4EC 0.980 no .
C1F H1FA 0.980 no .
C1F H1FB 0.980 no .
C1F H1FC 0.980 no .
C2F H2FA 0.990 no .
C2F H2FB 0.990 no .
C3F H3FA 0.990 no .
C3F H3FB 0.990 no .
C4F H4FA 0.980 no .
C4F H4FB 0.980 no .
C4F H4FC 0.980 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Ag1 C2 3.583(7) no .
Ag1 C5B 3.389(19) no .
Ag1 C14 3.502(7) no .
Ag1 C40 3.413(6) no .
O1 C49 2.872(9) no .
N1 C1 3.169(8) no .
N1 C2 3.183(9) no .
N1 C13 3.440(8) no .
N1 C17 2.799(9) no .
N2 C24 2.794(8) no .
N2 C27 3.405(9) no .
N2 C38 3.213(9) no .
N2 C39 3.152(9) no .
C1 C2B 3.54(2) no .
C1 C4 2.819(11) no .
C1 C5A 3.498(17) no .
C1 C8 2.843(9) no .
C1 C16 3.448(10) no .
C1A C3A 3.10(3) no 3_676
C1A C4A 2.84(2) no .
C1A C4A 2.86(2) no 3_676
C1A C5A 3.33(2) no 3_676
C1B C3B 3.22(3) no 3_676
C1B C4B 2.84(3) no .
C1B C4B 2.85(3) no 3_676
C1B C5B 3.48(2) no 3_676
C2 C5 2.799(9) no .
C2 C15 2.901(10) no .
C2A C4A 3.24(2) no 3_676
C2A C5A 2.76(3) no .
C2A C5A 3.10(2) no 3_676
C2A C6A 3.33(3) no 3_676
C2A C8A 3.31(3) no 3_676
C2B C4B 3.13(3) no 3_676
C2B C5B 2.74(3) no .
C2B C5B 3.17(3) no 3_676
C2B C6B 3.42(3) no 3_676
C2B C6 3.52(2) no .
C2B C8B 3.23(3) no 3_676
C3 C6 2.819(10) no .
C3A C5A 3.46(2) no 3_676
C3A C6A 2.72(2) no .
C3A C6A 3.11(3) no 3_676
C3A C7A 3.18(3) no 3_676
C3A C34 3.458(15) no .
C3B C5B 3.37(3) no 3_676
C3B C6B 2.71(3) no .
C3B C6B 3.03(3) no 3_676
C3B C7B 3.25(3) no 3_676
C4A C6A 3.48(2) no 3_676
C4B C6B 3.27(3) no 3_676
C5 C44 3.513(9) no 3_676
C5 C45 2.875(9) no 3_676
C5 C46 3.407(9) no 3_676
C5A C7A 3.41(3) no 3_676
C5B C7B 3.51(3) no 3_676
C6A C8A 3.55(3) no 3_676
C6B C8B 3.36(3) no 3_676
C6 C13 2.851(10) no .
C6 C44 3.390(9) no 3_676
C6 C46 3.250(9) no 3_676
C7 C14 2.809(8) no .
C8 C11 2.822(11) no .
C8 C44 3.447(9) no 3_676
C8 C46 3.348(9) no 3_676
C9 C12 2.801(9) no .
C9 C45 2.929(10) no 3_676
C9 C46 3.556(10) no 3_676
C10 C13 2.832(10) no .
C12 C15 2.906(10) no .
C12 C16 3.290(10) no .
C13 C16 3.179(9) no .
C15 C18 2.756(8) no .
C16 C19 2.725(10) no .
C18 C23 2.814(9) no .
C19 C21 2.840(9) no .
C20 C22 2.830(10) no .
C22 C25 2.736(10) no .
C23 C26 2.757(10) no .
C25 C27 3.251(10) no .
C25 C28 3.374(10) no .
C25 C39 3.441(10) no .
C26 C28 2.912(10) no .
C26 C38 2.908(10) no .
C27 C30 2.795(10) no .
C27 C34 2.851(9) no .
C28 C31 2.793(10) no .
C29 C32 2.812(10) no .
C31 C41 2.901(10) no .
C31 C46 3.450(9) no .
C32 C39 2.836(10) no .
C32 C42 3.401(10) no .
C32 C46 3.320(9) no .
C33 C40 2.831(9) no .
C34 C37 2.834(10) no .
C34 C42 3.360(10) no .
C34 C46 3.322(10) no .
C35 C38 2.797(11) no .
C35 C41 2.893(10) no .
C35 C42 3.548(10) no .
C35 C46 3.487(10) no .
C36 C39 2.814(10) no .
C41 C44 2.812(10) no .
C42 C45 2.786(8) no .
C43 C46 2.768(9) no .
C44 C47 2.831(11) no .
C49 C52a 3.13(2) no .
C2F C4F 3.12(4) no .
F2 N1 3.277(7) no .
F2 C2 3.329(7) no .
F2 C16 3.131(9) no 3_576
F2 C17 3.265(9) no 3_576
F2 C18 3.481(9) no .
F2 C19 3.058(8) no .
F2 C22 3.349(8) no .
F1 N2 3.469(7) no .
F1 C22 3.392(8) no .
F1 C23 3.390(9) no .
F1 C24 3.424(10) no .
F1 C25 3.507(9) no .
F1 C26 3.514(8) no .
F1 C28 3.349(9) no .
F1 C3E 3.49(2) no 2_555
F1 C3F 3.38(2) no 2_555
F3 Ag1 3.301(6) no .
F3 N2 3.503(8) no .
F3 C8A 3.43(2) no .
F3 C28 3.263(9) no .
F3 C48 3.517(11) no 2_645
F6 C47 3.425(10) no 2_645
F4 C3 3.303(8) no .
F4 Cl1 3.416(7) no 2_545
F4 Cl3 3.295(8) no 4_565
F5 C24 3.215(8) no 2_545
F5 Cl1 3.083(7) no 2_545
F5 C4E 3.34(2) no 2_555
Ag1 F3 3.301(6) no .
O1 C37 3.564(10) no 2_645
N1 F2 3.277(7) no .
N2 F1 3.469(7) no .
N2 F3 3.503(8) no .
C2 F2 3.329(7) no .
C2 C17 3.585(10) no 3_576
C3 F4 3.303(8) no .
C8A F3 3.43(2) no .
C10 C34 3.512(9) no 4_575
C10 C39 3.452(9) no 4_575
C10 C40 3.558(10) no 4_575
C16 F2 3.131(9) no 3_576
C17 F2 3.265(9) no 3_576
C17 C2 3.585(10) no 3_576
C18 F2 3.481(9) no .
C19 F2 3.058(8) no .
C21 O1F 3.430(17) no 1_565
C22 F2 3.349(8) no .
C22 F1 3.392(8) no .
C22 O1F 3.390(17) no 1_565
C23 F1 3.390(9) no .
C23 O1F 3.263(17) no 1_565
C24 F1 3.424(10) no .
C24 F5 3.215(8) no 2_555
C25 F1 3.507(9) no .
C26 F1 3.514(8) no .
C28 F1 3.349(9) no .
C28 F3 3.263(9) no .
C28 Cl2 3.240(8) no .
C29 Cl2 3.371(8) no .
C30 C43 3.484(10) no 2_645
C31 C52b 3.47(2) no 3_675
C34 C10 3.512(9) no 4_574
C36 C43 3.583(10) no 2_655
C37 O1 3.564(10) no 2_655
C37 C43 3.500(10) no 2_655
C37 C44 3.541(10) no 2_655
C38 O1E 3.476(14) no 1_565
C39 C10 3.452(9) no 4_574
C40 C10 3.558(10) no 4_574
C43 C30 3.484(10) no 2_655
C43 C36 3.583(10) no 2_645
C43 C37 3.500(10) no 2_645
C44 C37 3.541(10) no 2_645
C47 F6 3.425(10) no 2_655
C48 F3 3.517(11) no 2_655
C52b C31 3.47(2) no 3_675
Cl1 F4 3.416(7) no 2_555
Cl1 F5 3.083(7) no 2_555
Cl2 C28 3.240(8) no .
Cl2 C29 3.371(8) no .
Cl3 F4 3.295(8) no 4_564
C1D C2E 3.56(4) no 2_555
C1D O1F 3.47(3) no 2_555
O1E C38 3.476(14) no 1_545
C2E C1D 3.56(4) no 2_545
C3E F1 3.49(2) no 2_545
C4E F5 3.34(2) no 2_545
O1F C21 3.430(17) no 1_545
O1F C22 3.390(17) no 1_545
O1F C23 3.263(17) no 1_545
O1F C1D 3.47(3) no 2_545
C3F F1 3.38(2) no 2_545
H51A C49 2.8699 no .
H51A H49A 2.6734 no .
H51A H49B 3.2707 no .
H51A H50A 2.8463 no .
H51A H50B 2.2727 no .
H51A H52A 2.7732 no .
H51A H52B 2.4007 no .
H51A H52C 2.1678 no .
H51B C49 3.3863 no .
H51B H50A 2.2875 no .
H51B H50B 2.3964 no .
H51B H52A 2.4391 no .
H51B H52B 2.1419 no .
H51B H52C 2.7596 no .
H51D C49 2.7778 no .
H51D H49A 2.9546 no .
H51D H49B 2.6516 no .
H51D H50A 2.4478 no .
H51D H50B 2.8985 no .
H51D H52D 2.5249 no .
H51D H52E 2.9088 no .
H51D H52F 2.3680 no .
H51C C49 2.8623 no .
H51C H49A 2.6483 no .
H51C H49B 3.2229 no .
H51C H50A 2.8958 no .
H51C H50B 2.3810 no .
H51C H52D 2.9065 no .
H51C H52E 2.3599 no .
H51C H52F 2.5356 no .
Ag1 H2 3.2728 no .
Ag1 H7BA 3.2250 no .
Ag1 H7BB 3.1070 no .
Ag1 H8AA 3.2947 no .
Ag1 H8AB 3.1633 no .
Ag1 H2B 3.3921 no .
Ag1 H3A 3.5395 no .
Ag1 H6B 2.6779 no .
O1 H42 2.4837 no .
O1 H44 2.6624 no .
O1 H48A 2.6102 no .
O1 H48B 3.2464 no .
O1 H49A 2.5780 no .
O1 H49B 3.0880 no .
N1 H2 2.6003 no .
N1 H12 3.2603 no .
N1 H16 3.2433 no .
N2 H25 3.2399 no .
N2 H28 3.2432 no .
N2 H38 2.6829 no .
C1 H3 3.2697 no .
C1 H5 3.3215 no .
C1 H16 3.5580 no .
C1 H2B 3.0675 no .
C1 H5A 2.7273 no .
C1 H6A 3.4693 no .
C1A H8AA 3.3469 no 3_676
C1A H8AB 3.2132 no 3_676
C1A H3A 3.2441 no .
C1A H3A 3.4383 no 3_676
C1A H5A 3.2656 no .
C1B H8BA 3.1669 no 3_676
C1B H8BB 3.2685 no 3_676
C1B H3B 3.2984 no .
C1B H3B 3.5146 no 3_676
C1B H5B 3.2937 no .
C2 H4 3.2691 no .
C2 H5A 2.8448 no .
C2A H7AA 3.3222 no .
C2A H7AB 2.7323 no .
C2A H8AB 3.5783 no 3_676
C2A H5A 3.3913 no 3_676
C2A H6A 3.2283 no .
C2B H46 3.2399 no 3_676
C2B H7BA 2.7312 no .
C2B H7BB 3.3014 no .
C2B H8BA 3.5331 no 3_676
C2B H5B 3.5409 no 3_676
C2B H6B 3.1610 no .
C3 H5 3.2790 no .
C3 H5A 3.2157 no .
C3A H46 3.2789 no .
C3A H7AA 3.4471 no 3_676
C3A H8AA 2.7381 no .
C3A H8AB 3.3160 no .
C3A H5A 3.2186 no .
C3A H6A 3.4183 no 3_676
C3B H46 3.3511 no 3_676
C3B H7BB 3.5278 no 3_676
C3B H8BA 3.3034 no .
C3B H8BB 2.6796 no .
C3B H5B 3.2489 no .
C3B H6B 3.2278 no 3_676
C4 H2 3.2764 no .
C4 H3B 3.4397 no .
C4 H5A 3.5079 no .
C4A H7AA 3.1597 no 3_676
C4A H7AB 3.2958 no 3_676
C4A H2A 3.3021 no .
C4A H2A 3.5422 no 3_676
C4A H6A 3.2736 no .
C4B H7BA 3.2728 no 3_676
C4B H7BB 3.1690 no 3_676
C4B H2B 3.2518 no .
C4B H2B 3.5167 no 3_676
C4B H6B 3.2154 no .
C5 H3 3.2709 no .
C5 H46 3.5227 no 3_676
C5 H3B 3.1661 no .
C5 H5A 3.4134 no .
C5A H8AA 3.2553 no .
C5A H8AB 2.6005 no .
C5A H2A 3.2288 no 3_676
C5A H3A 3.2118 no .
C5B H46 3.5185 no .
C5B H8BA 2.6498 no .
C5B H8BB 3.2829 no .
C5B H2B 3.3687 no 3_676
C5B H3B 3.2541 no .
C6A H46 3.1276 no 3_676
C6A H7AA 2.5993 no .
C6A H7AB 3.2479 no .
C6A H2A 3.2343 no .
C6A H3A 3.2570 no 3_676
C6B H7BA 3.2446 no .
C6B H7BB 2.5937 no .
C6B H2B 3.1618 no .
C6B H3B 3.1586 no 3_676
C6 H2 3.3237 no .
C6 H4 3.2912 no .
C6 H44 3.4796 no 3_676
C6 H46 3.2418 no 3_676
C6 H2B 2.8857 no .
C6 H3B 3.4175 no .
C6 H5A 3.0053 no .
C6 H6A 3.2000 no .
C7 H5 2.6605 no .
C7 H9 2.6797 no .
C7 H44 2.7202 no 3_676
C7 H46 2.6067 no 3_676
C7 H2B 2.9422 no .
C7 H6A 2.9552 no .
C7A H2A 2.7431 no .
C7A H3A 3.3029 no 3_676
C7A H6A 2.7244 no .
C7B H2B 2.7340 no .
C7B H3B 3.3463 no 3_676
C7B H6B 2.6461 no .
C8 H10 3.3168 no .
C8 H12 3.3086 no .
C8 H44 3.4942 no 3_676
C8 H46 3.3116 no 3_676
C8 H2B 3.1191 no .
C8 H6A 2.9381 no .
C8A H2A 3.4176 no 3_676
C8A H3A 2.7107 no .
C8A H5A 2.7093 no .
C8B H2B 3.4014 no 3_676
C8B H3B 2.6987 no .
C8B H5B 2.8098 no .
C8B H6B 3.5371 no 3_676
C9 H11 3.2763 no .
C9 H46 3.5997 no 3_676
C9 H6A 3.5582 no .
C10 H12 3.2673 no .
C11 H9 3.2829 no .
C12 H10 3.2649 no .
C12 H16 3.1966 no .
C13 H9 3.3415 no .
C13 H11 3.2712 no .
C13 H16 3.0698 no .
C13 H2B 3.3177 no .
C13 H6A 3.2552 no .
C14 H2 2.6765 no .
C14 H12 2.6624 no .
C14 H16 2.6516 no .
C14 H2B 3.2774 no .
C14 H5A 3.3113 no .
C14 H6A 3.4890 no .
C15 H2 2.5669 no .
C15 H12 2.5657 no .
C15 H17 3.2630 no .
C16 H2 3.4219 no .
C16 H12 2.7967 no .
C17 H20 2.6769 no .
C18 H16 3.2541 no .
C18 H21 3.2866 no .
C19 H2 3.4046 no .
C19 H17 3.2683 no .
C19 H20 3.3107 no .
C20 H17 2.6807 no .
C21 H24 2.6880 no .
C22 H21 3.3259 no .
C22 H24 3.2805 no .
C22 H38 3.4335 no .
C23 H20 3.2701 no .
C23 H25 3.2768 no .
C24 H21 2.6870 no .
C25 H28 2.8722 no .
C25 H38 3.2907 no .
C26 H24 3.2547 no .
C26 H28 2.5763 no .
C26 H38 2.5649 no .
C27 H25 3.1907 no .
C27 H29 3.2682 no .
C27 H31 3.3079 no .
C27 H8AA 2.9803 no .
C27 H6B 3.4137 no .
C28 H25 3.3506 no .
C28 H30 3.2446 no .
C28 H8AA 3.2507 no .
C29 H31 3.2617 no .
C29 H8AA 3.4868 no .
C30 H28 3.2546 no .
C30 H8AA 3.5109 no .
C31 H29 3.2545 no .
C31 H46 3.4884 no .
C31 H8AA 3.3115 no .
C31 H5B 3.5693 no .
C32 H28 3.3245 no .
C32 H30 3.2837 no .
C32 H42 3.4523 no .
C32 H46 3.2995 no .
C32 H8AA 3.0365 no .
C32 H3A 3.3225 no .
C32 H5B 3.4151 no .
C32 H6B 3.3904 no .
C33 H31 2.6575 no .
C33 H35 2.6620 no .
C33 H42 2.6799 no .
C33 H46 2.6127 no .
C33 H3A 2.8491 no .
C33 H6B 3.1646 no .
C34 H36 3.2858 no .
C34 H38 3.3290 no .
C34 H42 3.4028 no .
C34 H46 3.3326 no .
C34 H3A 2.6599 no .
C34 H6B 2.8292 no .
C35 H37 3.2726 no .
C35 H46 3.5848 no .
C35 H2A 3.5141 no .
C35 H3A 3.0938 no .
C35 H6B 3.4457 no .
C36 H38 3.2635 no .
C36 H7BB 3.2925 no .
C36 H2A 3.5379 no .
C37 H35 3.2746 no .
C37 H7BB 3.0053 no .
C38 H36 3.2582 no .
C38 H7BB 3.1202 no .
C38 H6B 3.4564 no .
C39 H25 3.5442 no .
C39 H35 3.3267 no .
C39 H37 3.2907 no .
C39 H7BB 3.5091 no .
C39 H3A 3.0825 no .
C39 H6B 2.8171 no .
C40 H25 2.6610 no .
C40 H28 2.6780 no .
C40 H38 2.6734 no .
C40 H8AA 3.5430 no .
C40 H3A 3.5811 no .
C40 H6B 3.1404 no .
C41 H31 2.5572 no .
C41 H35 2.5542 no .
C41 H3A 3.4899 no .
C42 H31 3.1420 no .
C42 H35 3.0653 no .
C42 H44 3.2934 no .
C42 H46 3.2513 no .
C43 H47A 2.6370 no .
C43 H47B 2.6946 no .
C44 H5 2.9635 no 3_676
C44 H9 3.1443 no 3_676
C44 H42 3.2871 no .
C44 H46 3.2740 no .
C44 H47A 2.6949 no .
C44 H47B 2.8693 no .
C45 H5 2.5281 no 3_676
C45 H9 2.5912 no 3_676
C45 H6A 3.5828 no 3_676
C46 H5 2.9674 no 3_676
C46 H9 3.1057 no 3_676
C46 H31 2.9449 no .
C46 H35 2.9994 no .
C46 H42 3.2559 no .
C46 H44 3.2786 no .
C46 H2B 3.4031 no 3_676
C46 H3A 3.2414 no .
C46 H3B 3.4975 no 3_676
C46 H6A 3.2508 no 3_676
C47 H44 2.5376 no .
C47 H49A 2.7660 no .
C47 H49B 2.6666 no .
C48 H50A 2.7586 no .
C48 H50B 2.6686 no .
C49 H47A 2.7717 no .
C49 H47B 3.3736 no .
C49 H52A 3.0986 no .
C49 H52C 3.1019 no .
C50 H48A 2.7607 no .
C50 H48B 2.6610 no .
C50 H52A 2.7250 no .
C50 H52B 3.4058 no .
C50 H52C 3.0179 no .
C50 H52D 2.4826 no .
C50 H52E 2.7374 no .
C50 H52F 3.2941 no .
C51 H49A 2.7188 no .
C51 H49B 2.8099 no .
C52a H49A 3.2271 no .
C52a H49B 2.8992 no .
C52a H50A 2.9588 no .
C52a H50B 3.4144 no .
C52b H50A 2.5250 no .
C52b H50B 2.6267 no .
H2 H3 2.2859 no .
H2 H5A 3.2425 no .
H3 H4 2.3819 no .
H4 H5 2.3051 no .
H5 H35 3.0965 no 3_676
H5 H44 3.2676 no 3_676
H5 H46 3.2795 no 3_676
H5 H3B 3.3502 no .
H9 H10 2.3275 no .
H9 H31 3.4832 no 3_676
H9 H44 3.3922 no 3_676
H9 H46 3.3134 no 3_676
H10 H11 2.3676 no .
H11 H12 2.2839 no .
H12 H16 2.8691 no .
H16 H17 2.3270 no .
H17 H20 2.5216 no .
H20 H21 2.2843 no .
H21 H24 2.5356 no .
H24 H25 2.3471 no .
H25 H28 2.9998 no .
H28 H29 2.2840 no .
H29 H30 2.3489 no .
H30 H31 2.2978 no .
H31 H42 3.4577 no .
H31 H46 3.1366 no .
H35 H36 2.3003 no .
H35 H42 3.3580 no .
H35 H46 3.2574 no .
H35 H3A 3.4065 no .
H35 H3B 3.5472 no 3_676
H36 H37 2.3597 no .
H37 H38 2.3082 no .
H37 H7BB 3.2971 no .
H38 H7BB 3.4765 no .
H44 H47A 2.2073 no .
H44 H47B 2.4670 no .
H46 H7AA 3.0814 no 3_676
H46 H2B 2.6282 no 3_676
H46 H3A 2.5232 no .
H46 H3B 2.8661 no 3_676
H46 H5B 3.1268 no .
H46 H6A 2.4458 no 3_676
H46 H6B 3.3052 no .
H47A H48A 2.8710 no .
H47A H48B 2.3664 no .
H47A H49A 3.1321 no .
H47A H49B 2.5411 no .
H47B H48A 2.3508 no .
H47B H48B 2.3820 no .
H47B H49B 3.5865 no .
H48A H49A 2.3105 no .
H48A H49B 2.8399 no .
H48A H50A 3.1294 no .
H48A H50B 2.5372 no .
H48B H49A 2.8399 no .
H48B H49B 2.3911 no .
H48B H50A 2.5269 no .
H48B H50B 2.8355 no .
H49A H50A 2.8566 no .
H49A H50B 2.4074 no .
H49A H52A 3.4311 no .
H49A H52C 2.9379 no .
H49B H50A 2.3339 no .
H49B H50B 2.8565 no .
H49B H52A 2.6218 no .
H49B H52C 2.8268 no .
H50A H52A 2.7628 no .
H50A H52C 3.5328 no .
H50A H52D 2.1751 no .
H50A H52E 2.9544 no .
H50A H52F 3.3687 no .
H50B H52D 2.7301 no .
H50B H52E 2.5552 no .
H50B H52F 3.5668 no .
O1E H1EA 2.8522 no .
O1E H1EB 2.4683 no .
O1E H1EC 3.2440 no .
O1E H4EA 2.5512 no .
O1E H4EB 2.7412 no .
O1E H4EC 3.2668 no .
C2E H3EA 2.6122 no .
C2E H3EB 2.6232 no .
C3E H2EA 2.6181 no .
C3E H2EB 2.6459 no .
O1F H1FA 3.0368 no .
O1F H1FB 2.3330 no .
O1F H1FC 3.0693 no .
O1F H4FA 2.6872 no .
O1F H4FB 3.3368 no .
O1F H4FC 2.7529 no .
C2F H4FA 2.8009 no .
C2F H4FC 3.5338 no .
C2F H3FA 2.5950 no .
C2F H3FB 3.2927 no .
C3F H2FA 2.6099 no .
C3F H2FB 2.7546 no .
C4F H2FA 3.3612 no .
C4F H2FB 2.8929 no .
H1EA H2EA 2.8719 no .
H1EA H2EB 2.2983 no .
H1EB H2EA 2.5796 no .
H1EB H2EB 2.8728 no .
H1EC H2EA 2.2968 no .
H1EC H2EB 2.5774 no .
H1FA H2FA 2.7079 no .
H1FA H2FB 2.1678 no .
H1FB H2FA 2.6859 no .
H1FB H2FB 2.7103 no .
H1FC H2FA 2.1675 no .
H1FC H2FB 2.6834 no .
H4EA H3EA 2.8510 no .
H4EA H3EB 2.4446 no .
H4EB H3EA 2.2974 no .
H4EB H3EB 2.8488 no .
H4EC H3EA 2.4349 no .
H4EC H3EB 2.2896 no .
H4FA H2FA 3.0159 no .
H4FA H2FB 2.3242 no .
H4FA H3FA 2.3809 no .
H4FA H3FB 2.8453 no .
H4FB H3FA 2.3108 no .
H4FB H3FB 2.3630 no .
H4FC H2FB 3.2487 no .
H4FC H3FA 2.8439 no .
H4FC H3FB 2.3276 no .
H2EA H3EA 2.8965 no .
H2EA H3EB 2.4386 no .
H2EB H3EA 2.4571 no .
H2EB H3EB 2.9562 no .
H2FA H3FA 2.3495 no .
H2FA H3FB 3.4655 no .
H2FB H3FA 2.9779 no .
H7AA H8AA 2.2478 no 3_676
H7AA H8AB 2.8055 no 3_676
H7AA H3A 3.2926 no 3_676
H7AA H6A 2.4234 no .
H7AB H8AA 2.6918 no 3_676
H7AB H8AB 2.2492 no 3_676
H7AB H2A 2.6155 no .
H7AB H6A 3.4604 no .
H7BA H8BA 2.1745 no 3_676
H7BA H8BB 2.6474 no 3_676
H7BA H2B 2.6113 no .
H7BA H6B 3.4544 no .
H7BB H8BA 2.7363 no 3_676
H7BB H8BB 2.1743 no 3_676
H7BB H3B 3.3534 no 3_676
H7BB H6B 2.3834 no .
H8AA H3A 2.6076 no .
H8AA H5A 3.4892 no .
H8AB H2A 3.4171 no 3_676
H8AB H5A 2.4371 no .
H8BA H2B 3.4417 no 3_676
H8BA H3B 3.5871 no .
H8BA H5B 2.5361 no .
H8BB H3B 2.5363 no .
H8BB H5B 3.5467 no .
H2A H3A 2.3125 no .
H2A H5A 3.2499 no 3_676
H2B H3B 2.3263 no .
H2B H5B 3.4817 no 3_676
H3A H6A 3.2933 no 3_676
H3B H6B 3.0676 no 3_676
H5A H6A 2.3140 no .
H5B H6B 2.3047 no .
H51A C36 3.4378 no 4_574
H51A H36 2.6977 no 4_574
H51A H49A 2.9641 no 3_675
H51A H52C 2.9097 no 3_675
H51B H4 3.1992 no 2_655
H51B H11 3.2678 no 2_645
H51B H36 2.9486 no 4_574
H51B H42 3.3413 no 3_675
H51D H11 3.5237 no 2_645
H51D H49A 3.5190 no 3_675
H51C H51C 3.4326 no 3_675
H51C C36 3.5303 no 4_574
H51C H36 2.7856 no 4_574
H51C H49A 2.8451 no 3_675
Sb1 H28 3.5156 no .
F2 H2 2.4261 no .
F2 H3 3.5705 no .
F2 H16 2.5106 no 3_576
F2 H17 2.7869 no 3_576
F2 H4EC 3.5291 no 2_555
F1 H28 2.4363 no .
F1 H4EC 3.0552 no 2_555
F1 H4FB 3.4120 no 2_555
F1 H3EA 3.5369 no 2_555
F1 H3EB 2.8287 no 2_555
F1 H3FA 3.5792 no 2_555
F1 H3FB 2.5406 no 2_555
F3 H2 3.1302 no .
F3 H3 3.3594 no .
F3 H28 2.8975 no .
F3 H47B 3.2534 no 2_645
F3 H48A 3.0572 no 2_645
F3 H48B 3.2191 no 2_645
F3 H8AA 3.2218 no .
F3 H8AB 2.7820 no .
F6 H21 2.8675 no 2_545
F6 H24 2.9719 no 2_545
F6 H28 3.4163 no .
F6 H29 3.0496 no .
F6 H47A 3.5436 no 2_645
F6 H47B 2.6539 no 2_645
F6 H48B 3.3772 no 2_645
F6 H4FA 3.5390 no .
F6 H2EB 3.5563 no .
F6 H2FA 3.3959 no .
F6 H3EA 3.0275 no .
F6 H3FA 3.1626 no .
F4 H2 3.3476 no .
F4 H3 2.4443 no .
F4 H17 3.1056 no 3_576
F4 H48B 2.7063 no 2_645
F4 H2EB 3.1896 no .
F4 H2FA 2.8857 no .
F5 H16 2.9245 no 3_576
F5 H24 2.4343 no 2_545
F5 H25 3.5050 no 2_545
F5 H4EA 3.2484 no 2_555
F5 H4EC 2.6694 no 2_555
F5 H4FC 3.3360 no 2_555
F5 H3EB 3.4314 no 2_555
F5 H3FB 3.5615 no 2_555
O1 H30 3.3889 no 2_655
O1 H36 3.4859 no 2_645
O1 H37 2.8418 no 2_645
O1 H52B 3.5824 no 3_675
O1 H7AB 3.3164 no 4_574
N1 H1EB 3.3155 no 1_565
N1 H1EC 3.3460 no 1_565
N1 H1FA 3.5768 no 1_565
N1 H1FB 3.0608 no 1_565
N2 H1EB 3.3182 no 1_565
C1 H20 3.4842 no 3_576
C2 H17 2.8142 no 3_576
C2 H20 3.2119 no 3_576
C3 H17 2.9790 no 3_576
C3 H20 3.1106 no 3_576
C3 H50B 3.3913 no 2_645
C4 H20 3.2555 no 3_576
C4 H50A 3.3531 no 2_645
C4 H50B 3.0124 no 2_645
C4 H52D 3.3648 no 2_645
C4 H52E 3.3548 no 2_645
C4B H48A 3.4200 no 2_645
C5 H20 3.5145 no 3_576
C5 H29 3.5628 no 4_565
C5 H30 3.1568 no 4_565
C5B H48A 3.5752 no 2_645
C7 H4EB 3.2507 no 4_565
C7A H48A 3.0578 no 4_575
C8 H4EA 3.4088 no 4_565
C8 H4EB 3.4235 no 4_565
C8A H48A 2.8142 no 2_645
C8B H48A 3.5763 no 2_645
C8B H49A 3.4885 no 2_645
C8B H50B 3.4068 no 2_645
C9 H4EA 3.4387 no 4_565
C10 H25 3.2392 no 4_575
C10 H42 3.5533 no 4_575
C10 H52B 3.4816 no 2_655
C10 H52D 3.5935 no 2_655
C10 H52F 3.2254 no 2_655
C11 H25 3.2339 no 4_575
C11 H52A 3.2534 no 2_655
C11 H52B 3.5409 no 2_655
C11 H52D 3.1643 no 2_655
C11 H52F 3.4085 no 2_655
C12 H52A 3.5144 no 2_655
C12 H1EC 3.4165 no 1_565
C12 H1FA 3.4480 no 1_565
C15 H1EC 3.5772 no 1_565
C15 H1FB 3.3584 no 1_565
C16 H1FB 3.4284 no 1_565
C17 H2 3.2570 no 3_576
C17 H1FB 3.2472 no 1_565
C18 H1EC 3.5816 no 1_565
C18 H1FB 2.9429 no 1_565
C18 H2EA 3.3320 no 1_565
C19 H1EB 3.3178 no 1_565
C19 H1EC 3.3271 no 1_565
C19 H1FB 2.8151 no 1_565
C19 H2EA 3.4297 no 1_565
C20 H2EA 3.3006 no 1_565
C20 H1D 3.2351 no 2_555
C21 H4EC 3.5793 no 2_555
C21 H4FB 3.2780 no 2_555
C21 H2EA 3.3180 no 1_565
C21 H3EB 3.4659 no 1_565
C21 H3FB 3.3436 no 1_565
C22 H1EB 3.3379 no 1_565
C22 H1FB 3.4253 no 1_565
C22 H2EA 3.4289 no 1_565
C23 H2EA 3.3744 no 1_565
C23 H3EB 3.3403 no 1_565
C23 H3FB 3.4590 no 1_565
C24 H4EA 3.3356 no 1_565
C24 H4FC 3.1539 no 1_565
C24 H3EA 3.3339 no 2_555
C24 H3EB 3.2837 no 1_565
C24 H3FA 3.2273 no 2_555
C24 H3FB 3.5237 no 1_565
C25 H4EA 3.1061 no 1_565
C25 H4FC 3.1668 no 1_565
C27 H10 2.9656 no 4_574
C29 H5 3.2473 no 4_564
C29 H47B 3.0718 no 2_645
C30 H5 2.8435 no 4_564
C30 H35 3.0247 no 2_645
C30 H47B 3.5600 no 2_645
C30 H52E 3.2850 no 3_675
C31 H35 3.0772 no 2_645
C31 H36 3.4581 no 2_645
C31 H52E 3.0955 no 3_675
C31 H52F 3.1172 no 3_675
C32 H10 2.8983 no 4_574
C32 H52F 3.2332 no 3_675
C33 H10 2.7771 no 4_574
C33 H52F 3.4532 no 3_675
C34 H9 3.0937 no 4_574
C34 H10 2.8023 no 4_574
C35 H9 3.1096 no 4_574
C35 H30 3.3210 no 2_655
C35 H31 2.9401 no 2_655
C35 H52E 3.4038 no 4_575
C36 H51A 3.4378 no 4_575
C36 H51C 3.5303 no 4_575
C36 H9 3.2309 no 4_574
C36 H31 3.0449 no 2_655
C36 H52E 3.0507 no 4_575
C37 H9 3.3106 no 4_574
C37 H44 3.5497 no 2_655
C37 H47A 3.0816 no 2_655
C37 H49B 3.2484 no 2_655
C37 H1EB 3.5417 no 1_565
C37 H2FB 3.5170 no 1_565
C38 H9 3.2818 no 4_574
C38 H1EB 3.1440 no 1_565
C38 H2FB 3.4498 no 1_565
C39 H9 3.1999 no 4_574
C39 H10 2.8869 no 4_574
C40 H10 2.9335 no 4_574
C41 H30 3.3162 no 2_655
C41 H52F 3.4969 no 3_675
C42 H30 2.9808 no 2_655
C42 H36 3.1965 no 2_645
C42 H52B 3.5045 no 3_675
C42 H52F 2.9740 no 3_675
C43 H30 2.8101 no 2_655
C43 H36 3.2353 no 2_645
C43 H37 3.0725 no 2_645
C44 H29 3.5337 no 2_655
C44 H30 2.9964 no 2_655
C44 H37 3.2750 no 2_645
C44 H4EB 3.1383 no 2_655
C44 H4FA 3.3700 no 2_655
C45 H30 3.3310 no 2_655
C46 H30 3.4756 no 2_655
C47 H29 3.5437 no 2_655
C47 H37 2.8759 no 2_645
C47 H4FA 3.3007 no 2_655
C47 H2FB 3.0741 no 2_655
C48 H37 3.5014 no 2_645
C48 H1EA 3.2224 no 2_655
C48 H2FA 3.5323 no 2_655
C48 H2FB 3.2817 no 2_655
C48 H7AB 3.1804 no 4_574
C48 H8AB 3.0815 no 2_655
C49 H37 3.1170 no 2_645
C49 H52C 3.5794 no 3_675
C49 H1EA 3.0058 no 2_655
C49 H2FB 3.5176 no 2_655
C49 H7AB 3.2610 no 4_574
C49 H8BB 3.5023 no 2_655
C50 H4 3.0232 no 2_655
C50 H1EA 3.3553 no 2_655
C50 H8BB 3.2558 no 2_655
C51 H36 3.2960 no 4_574
C51 H8BB 3.5331 no 2_655
C52a H42 3.5365 no 3_675
C52a H49A 3.2645 no 3_675
C52b H4 2.9156 no 2_655
C52b H10 3.4472 no 2_645
C52b H11 3.1382 no 2_645
C52b H31 3.4737 no 3_675
C52b H36 2.8543 no 4_574
C52b H42 3.2867 no 3_675
H2 F2 2.4261 no .
H2 F3 3.1302 no .
H2 F4 3.3476 no .
H2 C17 3.2570 no 3_576
H2 H17 2.5148 no 3_576
H3 F2 3.5705 no .
H3 F3 3.3594 no .
H3 F4 2.4443 no .
H3 H17 2.8394 no 3_576
H3 H20 3.4892 no 3_576
H3 H48A 3.5001 no 2_645
H3 H48B 3.0189 no 2_645
H3 H50A 3.1531 no 2_645
H3 H50B 3.2333 no 2_645
H3 Cl3 3.0501 no 4_565
H4 H51B 3.1992 no 2_645
H4 C50 3.0232 no 2_645
H4 C52b 2.9156 no 2_645
H4 H50A 2.6587 no 2_645
H4 H50B 2.5636 no 2_645
H4 Cl2 3.1934 no 4_565
H4 H52D 2.4229 no 2_645
H4 H52E 2.6199 no 2_645
H5 C29 3.2473 no 4_565
H5 C30 2.8435 no 4_565
H5 H29 2.9990 no 4_565
H5 H30 2.2227 no 4_565
H5 H52E 3.3618 no 2_645
H9 C34 3.0937 no 4_575
H9 C35 3.1096 no 4_575
H9 C36 3.2309 no 4_575
H9 C37 3.3106 no 4_575
H9 C38 3.2818 no 4_575
H9 C39 3.1999 no 4_575
H9 H35 3.5774 no 4_575
H10 C27 2.9656 no 4_575
H10 C32 2.8983 no 4_575
H10 C33 2.7771 no 4_575
H10 C34 2.8023 no 4_575
H10 C39 2.8869 no 4_575
H10 C40 2.9335 no 4_575
H10 C52b 3.4472 no 2_655
H10 H25 3.2316 no 4_575
H10 H42 3.0235 no 4_575
H10 H52B 3.5022 no 2_655
H10 H52D 3.2910 no 2_655
H10 H52F 2.7304 no 2_655
H11 H51B 3.2678 no 2_655
H11 H51D 3.5237 no 2_655
H11 C52b 3.1382 no 2_655
H11 H25 3.2151 no 4_575
H11 H50A 3.4912 no 2_655
H11 Cl1 3.4121 no 4_575
H11 Cl2 3.2433 no 4_575
H11 C1D 3.5674 no 4_575
H11 H52A 3.1973 no 2_655
H11 H52D 2.4459 no 2_655
H11 H52F 3.0774 no 2_655
H12 Cl1 3.4309 no 4_575
H12 C1E 3.3824 no 1_565
H12 C1F 2.9982 no 1_565
H12 H1EB 3.5637 no 1_565
H12 H1EC 2.5605 no 1_565
H12 H1FA 2.7722 no 1_565
H12 H1FB 2.8088 no 1_565
H12 H1FC 2.9011 no 1_565
H16 F2 2.5106 no 3_576
H16 F5 2.9245 no 3_576
H16 H4EC 3.3970 no 4_565
H17 F2 2.7869 no 3_576
H17 F4 3.1056 no 3_576
H17 C2 2.8142 no 3_576
H17 C3 2.9790 no 3_576
H17 H2 2.5148 no 3_576
H17 H3 2.8394 no 3_576
H17 Cl3 3.2771 no 2_555
H20 C1 3.4842 no 3_576
H20 C2 3.2119 no 3_576
H20 C3 3.1106 no 3_576
H20 C4 3.2555 no 3_576
H20 C5 3.5145 no 3_576
H20 H3 3.4892 no 3_576
H20 Cl2 3.2980 no 2_555
H20 C1D 3.5714 no 2_555
H20 H1D 3.1878 no 2_555
H21 F6 2.8675 no 2_555
H21 H29 3.4903 no 2_555
H21 H4EB 3.3815 no 2_555
H21 H4EC 3.5556 no 2_555
H21 H4FB 3.0011 no 2_555
H21 H3EA 3.1833 no 2_555
H21 H3EB 3.4422 no 1_565
H21 H3FB 3.2329 no 1_565
H24 F6 2.9719 no 2_555
H24 F5 2.4343 no 2_555
H24 Cl1 3.5225 no .
H24 C3F 3.5157 no 2_555
H24 H4EA 3.4481 no 1_565
H24 H4FC 3.3089 no 1_565
H24 H3EA 2.8322 no 2_555
H24 H3EB 3.2837 no 1_565
H24 H3FA 2.6641 no 2_555
H24 H3FB 3.4488 no 1_565
H25 F5 3.5050 no 2_555
H25 C10 3.2392 no 4_574
H25 C11 3.2339 no 4_574
H25 H10 3.2316 no 4_574
H25 H11 3.2151 no 4_574
H25 Cl1 3.3963 no .
H25 Cl2 3.3928 no .
H25 H4EA 3.0347 no 1_565
H25 H4FC 3.3022 no 1_565
H28 Sb1 3.5156 no .
H28 F1 2.4363 no .
H28 F3 2.8975 no .
H28 F6 3.4163 no .
H28 Cl2 3.0593 no .
H29 F6 3.0496 no .
H29 C5 3.5628 no 4_564
H29 C44 3.5337 no 2_645
H29 C47 3.5437 no 2_645
H29 H5 2.9990 no 4_564
H29 H21 3.4903 no 2_545
H29 H44 3.3085 no 2_645
H29 H47B 2.6313 no 2_645
H29 Cl2 3.3015 no .
H30 O1 3.3889 no 2_645
H30 C5 3.1568 no 4_564
H30 C35 3.3210 no 2_645
H30 C41 3.3162 no 2_645
H30 C42 2.9808 no 2_645
H30 C43 2.8101 no 2_645
H30 C44 2.9964 no 2_645
H30 C45 3.3310 no 2_645
H30 C46 3.4756 no 2_645
H30 H5 2.2227 no 4_564
H30 H35 2.4065 no 2_645
H30 H42 3.4142 no 2_645
H30 H44 3.4364 no 2_645
H30 H47B 3.5031 no 2_645
H30 H52E 3.3283 no 3_675
H31 C35 2.9401 no 2_645
H31 C36 3.0449 no 2_645
H31 C52b 3.4737 no 3_675
H31 H35 2.5091 no 2_645
H31 H36 2.7272 no 2_645
H31 H52E 2.9856 no 3_675
H31 H52F 3.0928 no 3_675
H35 C30 3.0247 no 2_655
H35 C31 3.0772 no 2_655
H35 H9 3.5774 no 4_574
H35 H30 2.4065 no 2_655
H35 H31 2.5091 no 2_655
H35 H52E 3.0073 no 4_575
H36 H51A 2.6977 no 4_575
H36 H51B 2.9486 no 4_575
H36 H51C 2.7856 no 4_575
H36 O1 3.4859 no 2_655
H36 C31 3.4581 no 2_655
H36 C42 3.1965 no 2_655
H36 C43 3.2353 no 2_655
H36 C51 3.2960 no 4_575
H36 C52b 2.8543 no 4_575
H36 H31 2.7272 no 2_655
H36 H42 3.3211 no 2_655
H36 H52E 2.2768 no 4_575
H36 H52F 2.8103 no 4_575
H37 O1 2.8418 no 2_655
H37 C43 3.0725 no 2_655
H37 C44 3.2750 no 2_655
H37 C47 2.8759 no 2_655
H37 C48 3.5014 no 2_655
H37 C49 3.1170 no 2_655
H37 H44 3.1941 no 2_655
H37 H47A 2.2527 no 2_655
H37 H49A 3.1500 no 2_655
H37 H49B 2.4080 no 2_655
H37 O1E 3.5655 no 1_565
H37 H1EA 3.4689 no 1_565
H37 H1EB 3.2249 no 1_565
H37 H4FA 3.5531 no 1_565
H37 H2FB 2.9125 no 1_565
H38 H47A 3.5587 no 2_655
H38 O1E 2.6561 no 1_565
H38 C1E 3.2424 no 1_565
H38 C2E 3.5129 no 1_565
H38 O1F 3.4726 no 1_565
H38 C2F 3.4259 no 1_565
H38 C4F 3.5166 no 1_565
H38 H1EB 2.4227 no 1_565
H38 H1FA 3.4683 no 1_565
H38 H4EA 3.1587 no 1_565
H38 H4FA 3.1718 no 1_565
H38 H4FC 3.0645 no 1_565
H38 H2FB 2.7606 no 1_565
H42 H51B 3.3413 no 3_675
H42 C10 3.5533 no 4_574
H42 C52a 3.5365 no 3_675
H42 C52b 3.2867 no 3_675
H42 H10 3.0235 no 4_574
H42 H30 3.4142 no 2_655
H42 H36 3.3211 no 2_645
H42 H52B 2.6406 no 3_675
H42 H52F 2.3674 no 3_675
H42 H7AA 3.5509 no 4_574
H44 C37 3.5497 no 2_645
H44 H29 3.3085 no 2_655
H44 H30 3.4364 no 2_655
H44 H37 3.1941 no 2_645
H44 C4E 3.1639 no 2_655
H44 C4F 3.2361 no 2_655
H44 H4EA 3.3402 no 2_655
H44 H4EB 2.2904 no 2_655
H44 H4FA 2.4623 no 2_655
H44 H4FB 3.3009 no 2_655
H44 H4FC 3.5360 no 2_655
H47A F6 3.5436 no 2_655
H47A C37 3.0816 no 2_645
H47A H37 2.2527 no 2_645
H47A H38 3.5587 no 2_645
H47A O1E 2.9336 no 2_655
H47A C2E 3.5645 no 2_655
H47A C2F 3.1151 no 2_655
H47A C4F 3.4558 no 2_655
H47A H1EA 3.1491 no 2_655
H47A H4EB 3.3651 no 2_655
H47A H4FA 2.4840 no 2_655
H47A H2EB 3.5152 no 2_655
H47A H2FA 3.1521 no 2_655
H47A H2FB 2.2618 no 2_655
H47B F3 3.2534 no 2_655
H47B F6 2.6539 no 2_655
H47B C29 3.0718 no 2_655
H47B C30 3.5600 no 2_655
H47B H29 2.6313 no 2_655
H47B H30 3.5031 no 2_655
H47B H4FA 3.2660 no 2_655
H47B H2FB 3.5130 no 2_655
H48A F3 3.0572 no 2_655
H48A C4B 3.4200 no 2_655
H48A C5B 3.5752 no 2_655
H48A C7A 3.0578 no 4_574
H48A C8A 2.8142 no 2_655
H48A C8B 3.5763 no 2_655
H48A H3 3.5001 no 2_655
H48A H7AA 3.5058 no 4_574
H48A H7AB 2.4517 no 4_574
H48A H8AA 3.0512 no 2_655
H48A H8AB 2.0992 no 2_655
H48A H8BA 3.2731 no 2_655
H48A H8BB 3.4017 no 2_655
H48A H5B 3.3359 no 2_655
H48B F3 3.2191 no 2_655
H48B F6 3.3772 no 2_655
H48B F4 2.7063 no 2_655
H48B H3 3.0189 no 2_655
H48B C2F 3.2313 no 2_655
H48B H1EA 2.7486 no 2_655
H48B H1FC 3.5989 no 2_655
H48B H2EB 3.3166 no 2_655
H48B H2FA 2.7667 no 2_655
H48B H2FB 2.9199 no 2_655
H48B H8AB 3.4287 no 2_655
H49A H51A 2.9641 no 3_675
H49A H51D 3.5190 no 3_675
H49A H51C 2.8451 no 3_675
H49A C8B 3.4885 no 2_655
H49A C52a 3.2645 no 3_675
H49A H37 3.1500 no 2_645
H49A H52B 3.2169 no 3_675
H49A H52C 2.6524 no 3_675
H49A H7AB 2.7138 no 4_574
H49A H8BA 3.0644 no 2_655
H49A H8BB 2.9953 no 2_655
H49B C37 3.2484 no 2_645
H49B H37 2.4080 no 2_645
H49B C1E 3.1755 no 2_655
H49B C1F 3.5398 no 2_655
H49B C2F 3.5163 no 2_655
H49B H1EA 2.3644 no 2_655
H49B H1EB 3.1739 no 2_655
H49B H1FA 2.9303 no 2_655
H49B H2FB 2.8630 no 2_655
H50A C4 3.3531 no 2_655
H50A H3 3.1531 no 2_655
H50A H4 2.6587 no 2_655
H50A H11 3.4912 no 2_645
H50A H1EA 2.8005 no 2_655
H50A H1FA 3.3403 no 2_655
H50A H1FC 3.2310 no 2_655
H50B C3 3.3913 no 2_655
H50B C4 3.0124 no 2_655
H50B C8B 3.4068 no 2_655
H50B H3 3.2333 no 2_655
H50B H4 2.5636 no 2_655
H50B H7AB 3.1696 no 4_574
H50B H8AB 3.4416 no 2_655
H50B H8BB 2.6110 no 2_655
H50B H2A 3.2239 no 4_574
H50B H3B 3.3767 no 2_655
Cl1 H11 3.4121 no 4_574
Cl1 H12 3.4309 no 4_574
Cl1 H24 3.5225 no .
Cl1 H25 3.3963 no .
Cl1 H2EA 3.4410 no 2_555
Cl1 H2EB 2.9497 no 2_555
Cl1 H2FA 3.2426 no 2_555
Cl1 H3FA 3.1750 no 2_555
Cl2 H4 3.1934 no 4_564
Cl2 H11 3.2433 no 4_574
Cl2 H20 3.2980 no 2_545
Cl2 H25 3.3928 no .
Cl2 H28 3.0593 no .
Cl2 H29 3.3015 no .
Cl2 H52D 3.4549 no 3_675
Cl3 H3 3.0501 no 4_564
Cl3 H17 3.2771 no 2_545
Cl3 H1FC 2.7703 no 4_564
C1D H11 3.5674 no 4_574
C1D H20 3.5714 no 2_545
C1D H2EA 2.9166 no 2_555
C1D H2EB 3.2835 no 2_555
C1D H3FA 3.5369 no 2_555
O1E H37 3.5655 no 1_545
O1E H38 2.6561 no 1_545
O1E H47A 2.9336 no 2_645
C1E H12 3.3824 no 1_545
C1E H38 3.2424 no 1_545
C1E H49B 3.1755 no 2_645
C2E H38 3.5129 no 1_545
C2E H47A 3.5645 no 2_645
C2E H1D 2.6761 no 2_545
C4E H44 3.1639 no 2_645
O1F H38 3.4726 no 1_545
O1F H1D 2.5243 no 2_545
C1F H12 2.9982 no 1_545
C1F H49B 3.5398 no 2_645
C1F H1D 3.3501 no 2_545
C2F H38 3.4259 no 1_545
C2F H47A 3.1151 no 2_645
C2F H48B 3.2313 no 2_645
C2F H49B 3.5163 no 2_645
C2F H1D 3.1525 no 2_545
C3F H24 3.5157 no 2_545
C3F H1D 3.0862 no 2_545
C4F H38 3.5166 no 1_545
C4F H44 3.2361 no 2_645
C4F H47A 3.4558 no 2_645
H52A C11 3.2534 no 2_645
H52A C12 3.5144 no 2_645
H52A H11 3.1973 no 2_645
H52B O1 3.5824 no 3_675
H52B C10 3.4816 no 2_645
H52B C11 3.5409 no 2_645
H52B C42 3.5045 no 3_675
H52B H10 3.5022 no 2_645
H52B H42 2.6406 no 3_675
H52B H49A 3.2169 no 3_675
H52C H51A 2.9097 no 3_675
H52C C49 3.5794 no 3_675
H52C H49A 2.6524 no 3_675
H52C H52C 3.5916 no 3_675
H52D C4 3.3648 no 2_655
H52D C10 3.5935 no 2_645
H52D C11 3.1643 no 2_645
H52D H4 2.4229 no 2_655
H52D H10 3.2910 no 2_645
H52D H11 2.4459 no 2_645
H52D Cl2 3.4549 no 3_675
H52E C4 3.3548 no 2_655
H52E C30 3.2850 no 3_675
H52E C31 3.0955 no 3_675
H52E C35 3.4038 no 4_574
H52E C36 3.0507 no 4_574
H52E H4 2.6199 no 2_655
H52E H5 3.3618 no 2_655
H52E H30 3.3283 no 3_675
H52E H31 2.9856 no 3_675
H52E H35 3.0073 no 4_574
H52E H36 2.2768 no 4_574
H52F C10 3.2254 no 2_645
H52F C11 3.4085 no 2_645
H52F C31 3.1172 no 3_675
H52F C32 3.2332 no 3_675
H52F C33 3.4532 no 3_675
H52F C41 3.4969 no 3_675
H52F C42 2.9740 no 3_675
H52F H10 2.7304 no 2_645
H52F H11 3.0774 no 2_645
H52F H31 3.0928 no 3_675
H52F H36 2.8103 no 4_574
H52F H42 2.3674 no 3_675
H1EA C48 3.2224 no 2_645
H1EA C49 3.0058 no 2_645
H1EA C50 3.3553 no 2_645
H1EA H37 3.4689 no 1_545
H1EA H47A 3.1491 no 2_645
H1EA H48B 2.7486 no 2_645
H1EA H49B 2.3644 no 2_645
H1EA H50A 2.8005 no 2_645
H1EB N1 3.3155 no 1_545
H1EB N2 3.3182 no 1_545
H1EB C19 3.3178 no 1_545
H1EB C22 3.3379 no 1_545
H1EB C37 3.5417 no 1_545
H1EB C38 3.1440 no 1_545
H1EB H12 3.5637 no 1_545
H1EB H37 3.2249 no 1_545
H1EB H38 2.4227 no 1_545
H1EB H49B 3.1739 no 2_645
H1EC N1 3.3460 no 1_545
H1EC C12 3.4165 no 1_545
H1EC C15 3.5772 no 1_545
H1EC C18 3.5816 no 1_545
H1EC C19 3.3271 no 1_545
H1EC H12 2.5605 no 1_545
H1EC H1D 3.4401 no 2_545
H1FA N1 3.5768 no 1_545
H1FA C12 3.4480 no 1_545
H1FA H12 2.7722 no 1_545
H1FA H38 3.4683 no 1_545
H1FA H49B 2.9303 no 2_645
H1FA H50A 3.3403 no 2_645
H1FB N1 3.0608 no 1_545
H1FB C15 3.3584 no 1_545
H1FB C16 3.4284 no 1_545
H1FB C17 3.2472 no 1_545
H1FB C18 2.9429 no 1_545
H1FB C19 2.8151 no 1_545
H1FB C22 3.4253 no 1_545
H1FB H12 2.8088 no 1_545
H1FB H1D 2.9652 no 2_545
H1FC H12 2.9011 no 1_545
H1FC H48B 3.5989 no 2_645
H1FC H50A 3.2310 no 2_645
H1FC Cl3 2.7703 no 4_565
H1FC H1D 3.3971 no 2_545
H4EA F5 3.2484 no 2_545
H4EA C8 3.4088 no 4_564
H4EA C9 3.4387 no 4_564
H4EA C24 3.3356 no 1_545
H4EA C25 3.1061 no 1_545
H4EA H24 3.4481 no 1_545
H4EA H25 3.0347 no 1_545
H4EA H38 3.1587 no 1_545
H4EA H44 3.3402 no 2_645
H4EB C7 3.2507 no 4_564
H4EB C8 3.4235 no 4_564
H4EB C44 3.1383 no 2_645
H4EB H21 3.3815 no 2_545
H4EB H44 2.2904 no 2_645
H4EB H47A 3.3651 no 2_645
H4EC F2 3.5291 no 2_545
H4EC F1 3.0552 no 2_545
H4EC F5 2.6694 no 2_545
H4EC C21 3.5793 no 2_545
H4EC H16 3.3970 no 4_564
H4EC H21 3.5556 no 2_545
H4FA F6 3.5390 no .
H4FA C44 3.3700 no 2_645
H4FA C47 3.3007 no 2_645
H4FA H37 3.5531 no 1_545
H4FA H38 3.1718 no 1_545
H4FA H44 2.4623 no 2_645
H4FA H47A 2.4840 no 2_645
H4FA H47B 3.2660 no 2_645
H4FB F1 3.4120 no 2_545
H4FB C21 3.2780 no 2_545
H4FB H21 3.0011 no 2_545
H4FB H44 3.3009 no 2_645
H4FC F5 3.3360 no 2_545
H4FC C24 3.1539 no 1_545
H4FC C25 3.1668 no 1_545
H4FC H24 3.3089 no 1_545
H4FC H25 3.3022 no 1_545
H4FC H38 3.0645 no 1_545
H4FC H44 3.5360 no 2_645
H2EA C18 3.3320 no 1_545
H2EA C19 3.4297 no 1_545
H2EA C20 3.3006 no 1_545
H2EA C21 3.3180 no 1_545
H2EA C22 3.4289 no 1_545
H2EA C23 3.3744 no 1_545
H2EA Cl1 3.4410 no 2_545
H2EA C1D 2.9166 no 2_545
H2EA H1D 1.9429 no 2_545
H2EB F6 3.5563 no .
H2EB F4 3.1896 no .
H2EB H47A 3.5152 no 2_645
H2EB H48B 3.3166 no 2_645
H2EB Cl1 2.9497 no 2_545
H2EB C1D 3.2835 no 2_545
H2EB H1D 2.5960 no 2_545
H2FA F6 3.3959 no .
H2FA F4 2.8857 no .
H2FA C48 3.5323 no 2_645
H2FA H47A 3.1521 no 2_645
H2FA H48B 2.7667 no 2_645
H2FA Cl1 3.2426 no 2_545
H2FA H1D 3.0808 no 2_545
H2FB C37 3.5170 no 1_545
H2FB C38 3.4498 no 1_545
H2FB C47 3.0741 no 2_645
H2FB C48 3.2817 no 2_645
H2FB C49 3.5176 no 2_645
H2FB H37 2.9125 no 1_545
H2FB H38 2.7606 no 1_545
H2FB H47A 2.2618 no 2_645
H2FB H47B 3.5130 no 2_645
H2FB H48B 2.9199 no 2_645
H2FB H49B 2.8630 no 2_645
H3EA F1 3.5369 no 2_545
H3EA F6 3.0275 no .
H3EA C24 3.3339 no 2_545
H3EA H21 3.1833 no 2_545
H3EA H24 2.8322 no 2_545
H3EB F1 2.8287 no 2_545
H3EB F5 3.4314 no 2_545
H3EB C21 3.4659 no 1_545
H3EB C23 3.3403 no 1_545
H3EB C24 3.2837 no 1_545
H3EB H21 3.4422 no 1_545
H3EB H24 3.2837 no 1_545
H3EB H1D 3.4259 no 2_545
H3FA F1 3.5792 no 2_545
H3FA F6 3.1626 no .
H3FA C24 3.2273 no 2_545
H3FA H24 2.6641 no 2_545
H3FA Cl1 3.1750 no 2_545
H3FA C1D 3.5369 no 2_545
H3FA H1D 2.9943 no 2_545
H3FB F1 2.5406 no 2_545
H3FB F5 3.5615 no 2_545
H3FB C21 3.3436 no 1_545
H3FB C23 3.4590 no 1_545
H3FB C24 3.5237 no 1_545
H3FB H21 3.2329 no 1_545
H3FB H24 3.4488 no 1_545
H3FB H1D 3.0709 no 2_545
H7AA H42 3.5509 no 4_575
H7AA H48A 3.5058 no 4_575
H7AB O1 3.3164 no 4_575
H7AB C48 3.1804 no 4_575
H7AB C49 3.2610 no 4_575
H7AB H48A 2.4517 no 4_575
H7AB H49A 2.7138 no 4_575
H7AB H50B 3.1696 no 4_575
H8AA F3 3.2218 no .
H8AA H48A 3.0512 no 2_645
H8AB F3 2.7820 no .
H8AB C48 3.0815 no 2_645
H8AB H48A 2.0992 no 2_645
H8AB H48B 3.4287 no 2_645
H8AB H50B 3.4416 no 2_645
H8BA H48A 3.2731 no 2_645
H8BA H49A 3.0644 no 2_645
H8BB C49 3.5023 no 2_645
H8BB C50 3.2558 no 2_645
H8BB C51 3.5331 no 2_645
H8BB H48A 3.4017 no 2_645
H8BB H49A 2.9953 no 2_645
H8BB H50B 2.6110 no 2_645
H2A H50B 3.2239 no 4_575
H3B H50B 3.3767 no 2_645
H5B H48A 3.3359 no 2_645
H1D C20 3.2351 no 2_545
H1D H20 3.1878 no 2_545
H1D C2E 2.6761 no 2_555
H1D O1F 2.5243 no 2_555
H1D C1F 3.3501 no 2_555
H1D C2F 3.1525 no 2_555
H1D C3F 3.0862 no 2_555
H1D H1EC 3.4401 no 2_555
H1D H1FB 2.9652 no 2_555
H1D H1FC 3.3971 no 2_555
H1D H2EA 1.9429 no 2_555
H1D H2EB 2.5960 no 2_555
H1D H2FA 3.0808 no 2_555
H1D H3EB 3.4259 no 2_555
H1D H3FA 2.9943 no 2_555
H1D H3FB 3.0709 no 2_555
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N1 Ag1 N2 C22 -5.2(3) no . . .
N1 Ag1 N2 C26 179.6(5) no . . .
N2 Ag1 N1 C15 -178.6(5) no . . .
N2 Ag1 N1 C19 4.2(3) no . . .
N1 Ag1 C1B C2B 62.6(12) no . . .
N1 Ag1 C1B C6B 174.2(4) no . . .
N1 Ag1 C1B C7B -67.3(9) no . . .
C1B Ag1 N1 C15 -28.3(8) no . . .
C1B Ag1 N1 C19 154.4(6) no . . .
N1 Ag1 C4A C3A -128.9(8) no . . .
N1 Ag1 C4A C5A -16.8(13) no . . .
N1 Ag1 C4A C8A 100.9(11) no . . .
C4A Ag1 N1 C15 15.2(11) no . . .
C4A Ag1 N1 C19 -162.1(9) no . . .
N1 Ag1 C5A C4A 171.5(4) no . . .
N1 Ag1 C5A C6A -71.3(10) no . . .
C5A Ag1 N1 C15 4.5(7) no . . .
C5A Ag1 N1 C19 -172.8(5) no . . .
N2 Ag1 C1B C2B -174.7(4) no . . .
N2 Ag1 C1B C6B -63.1(12) no . . .
N2 Ag1 C1B C7B 55.3(12) no . . .
C1B Ag1 N2 C22 -143.1(8) no . . .
C1B Ag1 N2 C26 41.7(9) no . . .
N2 Ag1 C4A C3A 69.2(10) no . . .
N2 Ag1 C4A C5A -178.7(3) no . . .
N2 Ag1 C4A C8A -61.1(11) no . . .
C4A Ag1 N2 C22 166.6(6) no . . .
C4A Ag1 N2 C26 -8.6(7) no . . .
C1B Ag1 C4A C3A -60.5(10) no . . .
C1B Ag1 C4A C5A 51.6(9) no . . .
C1B Ag1 C4A C8A 169.2(16) no . . .
C4A Ag1 C1B C2B -84.8(13) no . . .
C4A Ag1 C1B C6B 26.8(8) no . . .
C4A Ag1 C1B C7B 145.2(14) no . . .
C1B Ag1 C5A C4A -69.8(11) no . . .
C1B Ag1 C5A C6A 47.4(11) no . . .
C5A Ag1 C1B C2B -18.4(9) no . . .
C5A Ag1 C1B C6B 93.2(14) no . . .
C5A Ag1 C1B C7B -148.4(16) no . . .
C4A Ag1 C5A C4A 0.0(7) no . . .
C4A Ag1 C5A C6A 117.3(14) no . . .
C5A Ag1 C4A C3A -112.1(13) no . . .
C5A Ag1 C4A C5A 0.0(7) no . . .
C5A Ag1 C4A C8A 117.7(14) no . . .
C43 O1 C47 C48 175.4(6) no . . .
C47 O1 C43 C42 174.1(6) no . . .
C47 O1 C43 C44 -5.4(10) no . . .
Ag1 N1 C15 C14 -0.4(9) no . . .
Ag1 N1 C15 C16 180.0(4) no . . .
Ag1 N1 C19 C18 177.9(4) no . . .
Ag1 N1 C19 C22 -2.8(7) no . . .
C15 N1 C19 C18 0.4(9) no . . .
C15 N1 C19 C22 179.6(6) no . . .
C19 N1 C15 C14 176.8(5) no . . .
C19 N1 C15 C16 -2.8(10) no . . .
Ag1 N2 C22 C19 5.8(7) no . . .
Ag1 N2 C22 C23 -174.6(4) no . . .
Ag1 N2 C26 C25 174.0(4) no . . .
Ag1 N2 C26 C40 -9.0(8) no . . .
C22 N2 C26 C25 -1.1(9) no . . .
C22 N2 C26 C40 175.9(5) no . . .
C26 N2 C22 C19 -178.7(5) no . . .
C26 N2 C22 C23 1.0(9) no . . .
C2 C1 C6 C5 -4.2(9) no . . .
C2 C1 C6 C7 177.0(6) no . . .
C6 C1 C2 C3 1.5(10) no . . .
C2 C1 C14 C13 -175.0(6) no . . .
C2 C1 C14 C15 10.9(10) no . . .
C14 C1 C2 C3 179.0(6) no . . .
C6 C1 C14 C13 2.5(10) no . . .
C6 C1 C14 C15 -171.6(6) no . . .
C14 C1 C6 C5 178.2(6) no . . .
C14 C1 C6 C7 -0.6(9) no . . .
C2A C1A C6A C5A 15(3) no . . .
C6A C1A C2A C3A -14(2) no . . .
C2A C1A C7A C8A -70(3) no . . 3_676
C7A C1A C2A C3A 154.6(14) no . . .
C6A C1A C7A C8A 98(2) no . . 3_676
C7A C1A C6A C5A -153.9(14) no . . .
Ag1 C1B C2B C3B 96.7(16) no . . .
Ag1 C1B C6B C5B -106.2(18) no . . .
Ag1 C1B C7B C8B -174.1(11) no . . 3_676
C2B C1B C6B C5B -4(3) no . . .
C6B C1B C2B C3B 11(3) no . . .
C2B C1B C7B C8B 66(3) no . . 3_676
C7B C1B C2B C3B -143.0(16) no . . .
C6B C1B C7B C8B -85.6(19) no . . 3_676
C7B C1B C6B C5B 150.2(17) no . . .
C1 C2 C3 C4 1.6(11) no . . .
C1A C2A C3A C4A 2(3) no . . .
C1B C2B C3B C4B -2(3) no . . .
C2 C3 C4 C5 -2.0(11) no . . .
C2A C3A C4A Ag1 90.0(16) no . . .
C2A C3A C4A C5A 9(2) no . . .
C2A C3A C4A C8A -147.2(14) no . . .
C2B C3B C4B C5B -13(3) no . . .
C2B C3B C4B C8B 156.7(14) no . . .
C3 C4 C5 C6 -0.9(11) no . . .
Ag1 C4A C5A Ag1 0.000(14) no . . .
Ag1 C4A C5A C6A -109.9(12) no . . .
Ag1 C4A C8A C7A -173.4(12) no . . 3_676
C3A C4A C5A Ag1 102.2(13) no . . .
C3A C4A C5A C6A -8(2) no . . .
C3A C4A C8A C7A 64(3) no . . 3_676
C5A C4A C8A C7A -90.3(19) no . . 3_676
C8A C4A C5A Ag1 -102.1(14) no . . .
C8A C4A C5A C6A 147.9(14) no . . .
C3B C4B C5B C6B 19(3) no . . .
C3B C4B C8B C7B -73(3) no . . 3_676
C5B C4B C8B C7B 96(3) no . . 3_676
C8B C4B C5B C6B -150.5(16) no . . .
C4 C5 C6 C1 3.9(10) no . . .
C4 C5 C6 C7 -177.3(7) no . . .
Ag1 C5A C6A C1A -87.4(15) no . . .
C4A C5A C6A C1A -4(3) no . . .
C4B C5B C6B C1B -11(3) no . . .
C1 C6 C7 C8 -2.5(10) no . . .
C1 C6 C7 C45 -175.6(5) no . . 3_676
C5 C6 C7 C8 178.8(6) no . . .
C5 C6 C7 C45 5.7(10) no . . 3_676
C6 C7 C8 C9 -174.8(6) no . . .
C6 C7 C8 C13 3.9(10) no . . .
C6 C7 C45 C44 -92.1(8) no . 3_676 3_676
C6 C7 C45 C46 82.7(8) no . 3_676 3_676
C8 C7 C45 C44 94.8(8) no . 3_676 3_676
C8 C7 C45 C46 -90.4(8) no . 3_676 3_676
C45 C7 C8 C9 -1.9(10) no 3_676 . .
C45 C7 C8 C13 176.8(6) no 3_676 . .
C1A C7A C8A C4A -11(3) no . 3_676 3_676
C1B C7B C8B C4B 9(3) no . 3_676 3_676
C7 C8 C9 C10 179.1(6) no . . .
C7 C8 C13 C12 179.6(6) no . . .
C7 C8 C13 C14 -2.0(10) no . . .
C9 C8 C13 C12 -1.7(10) no . . .
C9 C8 C13 C14 176.7(6) no . . .
C13 C8 C9 C10 0.4(10) no . . .
C8 C9 C10 C11 0.7(11) no . . .
C9 C10 C11 C12 -0.4(12) no . . .
C10 C11 C12 C13 -1.0(12) no . . .
C11 C12 C13 C8 2.0(11) no . . .
C11 C12 C13 C14 -176.2(7) no . . .
C8 C13 C14 C1 -1.2(10) no . . .
C8 C13 C14 C15 172.8(6) no . . .
C12 C13 C14 C1 177.1(6) no . . .
C12 C13 C14 C15 -8.9(10) no . . .
C1 C14 C15 N1 -75.0(8) no . . .
C1 C14 C15 C16 104.6(7) no . . .
C13 C14 C15 N1 110.7(7) no . . .
C13 C14 C15 C16 -69.7(9) no . . .
N1 C15 C16 C17 3.2(12) no . . .
C14 C15 C16 C17 -176.5(6) no . . .
C15 C16 C17 C18 -1.0(12) no . . .
C16 C17 C18 C19 -1.3(11) no . . .
C16 C17 C18 C20 177.9(7) no . . .
C17 C18 C19 N1 1.7(10) no . . .
C17 C18 C19 C22 -177.6(6) no . . .
C17 C18 C20 C21 178.3(7) no . . .
C19 C18 C20 C21 -2.5(11) no . . .
C20 C18 C19 N1 -177.6(6) no . . .
C20 C18 C19 C22 3.2(10) no . . .
N1 C19 C22 N2 -2.0(9) no . . .
N1 C19 C22 C23 178.4(5) no . . .
C18 C19 C22 N2 177.3(6) no . . .
C18 C19 C22 C23 -2.4(9) no . . .
C18 C20 C21 C23 0.8(11) no . . .
C20 C21 C23 C22 0.0(11) no . . .
C20 C21 C23 C24 -179.5(7) no . . .
N2 C22 C23 C21 -178.9(6) no . . .
N2 C22 C23 C24 0.7(10) no . . .
C19 C22 C23 C21 0.7(10) no . . .
C19 C22 C23 C24 -179.7(6) no . . .
C21 C23 C24 C25 177.4(7) no . . .
C22 C23 C24 C25 -2.1(10) no . . .
C23 C24 C25 C26 2.0(11) no . . .
C24 C25 C26 N2 -0.4(11) no . . .
C24 C25 C26 C40 -177.3(6) no . . .
N2 C26 C40 C27 107.0(6) no . . .
N2 C26 C40 C39 -75.3(7) no . . .
C25 C26 C40 C27 -75.9(8) no . . .
C25 C26 C40 C39 101.8(7) no . . .
C28 C27 C32 C31 -1.5(8) no . . .
C28 C27 C32 C33 -180.0(5) no . . .
C32 C27 C28 C29 2.2(9) no . . .
C28 C27 C40 C26 -6.2(9) no . . .
C28 C27 C40 C39 176.1(5) no . . .
C40 C27 C28 C29 -175.3(6) no . . .
C32 C27 C40 C26 176.3(5) no . . .
C32 C27 C40 C39 -1.4(9) no . . .
C40 C27 C32 C31 176.0(5) no . . .
C40 C27 C32 C33 -2.5(9) no . . .
C27 C28 C29 C30 -1.0(10) no . . .
C28 C29 C30 C31 -0.7(11) no . . .
C29 C30 C31 C32 1.3(10) no . . .
C30 C31 C32 C27 -0.2(9) no . . .
C30 C31 C32 C33 178.3(6) no . . .
C27 C32 C33 C34 5.1(9) no . . .
C27 C32 C33 C41 -177.6(5) no . . .
C31 C32 C33 C34 -173.3(5) no . . .
C31 C32 C33 C41 4.0(9) no . . .
C32 C33 C34 C35 174.5(5) no . . .
C32 C33 C34 C39 -3.8(8) no . . .
C32 C33 C41 C42 93.0(7) no . . .
C32 C33 C41 C46 -87.4(7) no . . .
C34 C33 C41 C42 -89.6(7) no . . .
C34 C33 C41 C46 89.9(7) no . . .
C41 C33 C34 C35 -2.8(9) no . . .
C41 C33 C34 C39 178.8(5) no . . .
C33 C34 C35 C36 -178.4(5) no . . .
C33 C34 C39 C38 -179.9(5) no . . .
C33 C34 C39 C40 0.1(8) no . . .
C35 C34 C39 C38 1.7(8) no . . .
C35 C34 C39 C40 -178.3(5) no . . .
C39 C34 C35 C36 -0.1(9) no . . .
C34 C35 C36 C37 -1.5(10) no . . .
C35 C36 C37 C38 1.3(10) no . . .
C36 C37 C38 C39 0.5(10) no . . .
C37 C38 C39 C34 -2.0(9) no . . .
C37 C38 C39 C40 178.1(6) no . . .
C34 C39 C40 C26 -175.2(5) no . . .
C34 C39 C40 C27 2.5(9) no . . .
C38 C39 C40 C26 4.8(9) no . . .
C38 C39 C40 C27 -177.5(5) no . . .
C33 C41 C42 C43 179.3(5) no . . .
C33 C41 C46 C45 -178.6(6) no . . .
C42 C41 C46 C45 0.9(10) no . . .
C46 C41 C42 C43 -0.2(9) no . . .
C41 C42 C43 O1 179.6(6) no . . .
C41 C42 C43 C44 -0.8(10) no . . .
O1 C43 C44 C45 -179.3(6) no . . .
C42 C43 C44 C45 1.2(10) no . . .
C43 C44 C45 C7 -175.2(6) no . . 3_676
C43 C44 C45 C46 -0.5(10) no . . .
C7 C45 C46 C41 174.3(6) no 3_676 . .
C44 C45 C46 C41 -0.6(10) no . . .
O1 C47 C48 C49 -57.1(9) no . . .
C47 C48 C49 C50 -173.0(7) no . . .
C48 C49 C50 C51 -173.6(7) no . . .
C49 C50 C51 C52a -47.2(14) no . . .
C49 C50 C51 C52b -173.9(7) no . . .
C2E O1E C3E C4E 179.2(15) no . . .
C3E O1E C2E C1E 178.0(14) no . . .
C2F O1F C3F C4F 72(3) no . . .
C3F O1F C2F C1F 169.8(16) no . . .
