#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:14:41 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178741 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/52/4085256.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_4085256
loop_
_publ_author_name
'Lazreg, Faïma'
'Cordes, David B.'
'Slawin, Alexandra M. Z.'
'Cazin, Catherine S. J.'
_publ_section_title
;
 Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group
 11 Complexes
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              419
_journal_paper_doi               10.1021/om500882t
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C52 H68 Ag B F4 N4 O'
_chemical_formula_sum            'C52 H68 Ag B F4 N4 O'
_chemical_formula_weight         959.81
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 97.853(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            12
_cell_length_a                   57.018(6)
_cell_length_b                   16.2771(14)
_cell_length_c                   16.6851(17)
_cell_measurement_reflns_used    15715
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      1.44
_cell_volume                     15340(3)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b28'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b28'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Superflip (Palatinus, et al., 2007)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 5.811
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1217
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       65
_diffrn_reflns_limit_h_min       -68
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            86558
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.384
_diffrn_reflns_theta_min         1.302
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.447
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6048.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.86
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     894
_refine_ls_number_reflns         14057
_refine_ls_number_restraints     45
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0894P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1465
_reflns_number_gt                10252
_reflns_number_total             14057
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om500882t_si_002.cif
_cod_data_source_block           3b
_cod_depositor_comments
'Adding full bibliography for 4085255--4085264.cif.'
_cod_database_code               4085256
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+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_site_symmetry_multiplicity
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.65898(2) 0.72825(2) 0.64459(2) 0.03476(10) Uani 1 8 0 d .
Ag2 Ag 0.5 0.76284(2) 0.25 0.03862(11) Uani 1 4 0 d .
F1 F 0.64193(4) 0.71864(12) 0.20191(14) 0.0593(6) Uani 1 8 0 d .
F2 F 0.63388(6) 0.81091(19) 0.09970(18) 0.0994(9) Uani 1 8 0 d .
F3 F 0.66696(5) 0.82261(14) 0.18752(16) 0.0783(7) Uani 1 8 0 d .
F4 F 0.66335(5) 0.71861(13) 0.09773(15) 0.0781(8) Uani 1 8 0 d .
F5 F 0.5216(2) 0.2265(9) 0.2859(6) 0.250(6) Uiso 0.5 8 0 d .
F6 F 0.54815(17) 0.1926(8) 0.2049(8) 0.224(5) Uiso 0.5 8 0 d .
F7 F 0.5113(2) 0.2247(9) 0.1507(7) 0.264(7) Uiso 0.5 8 0 d .
F8 F 0.5357(3) 0.3231(6) 0.2087(11) 0.412(14) Uiso 0.5 8 0 d .
O93 O 0.74000(8) 0.8060(3) 0.0949(3) 0.1127(13) Uani 1 8 0 d .
O98 O 0.54849(14) 0.3533(4) 0.2354(4) 0.095(2) Uani 0.5 8 0 d .
N2 N 0.65216(5) 0.90987(14) 0.58950(15) 0.0354(6) Uani 1 8 0 d .
N5 N 0.66479(5) 0.90407(15) 0.71596(15) 0.0336(6) Uani 1 8 0 d .
N32 N 0.66937(5) 0.55271(16) 0.58575(17) 0.0434(7) Uani 1 8 0 d .
N35 N 0.65141(6) 0.54723(16) 0.68994(17) 0.0478(8) Uani 1 8 0 d .
N62 N 0.48190(4) 0.58319(15) 0.26016(15) 0.0333(6) Uani 1 8 0 d .
N82 N 0.48891(8) 0.94128(19) 0.2970(2) 0.0723(11) Uani 1 8 0 d .
C1 C 0.65859(5) 0.85568(19) 0.65062(17) 0.0330(7) Uani 1 8 0 d .
C3 C 0.65415(6) 0.98999(19) 0.6169(2) 0.0415(8) Uani 1 8 0 d .
C4 C 0.66205(6) 0.98618(19) 0.6962(2) 0.0399(8) Uani 1 8 0 d .
C6 C 0.64401(6) 0.88290(18) 0.50767(18) 0.0377(8) Uani 1 8 0 d .
C7 C 0.62001(6) 0.8649(2) 0.4874(2) 0.0420(8) Uani 1 8 0 d .
C8 C 0.61297(7) 0.8363(2) 0.4092(2) 0.0502(9) Uani 1 8 0 d .
C9 C 0.62900(7) 0.8267(2) 0.3550(2) 0.0512(9) Uani 1 8 0 d .
C10 C 0.65245(8) 0.8457(2) 0.3768(2) 0.0488(9) Uani 1 8 0 d .
C11 C 0.66074(6) 0.87515(18) 0.45450(19) 0.0398(8) Uani 1 8 0 d .
C12 C 0.60249(7) 0.8731(3) 0.5476(2) 0.0549(10) Uani 1 8 0 d .
C13 C 0.59523(8) 0.7892(3) 0.5765(3) 0.0664(11) Uani 1 8 0 d .
C14 C 0.58052(9) 0.9204(3) 0.5118(3) 0.0825(15) Uani 1 8 0 d .
C15 C 0.68667(7) 0.8962(2) 0.4790(2) 0.0472(9) Uani 1 8 0 d .
C16 C 0.70141(8) 0.8200(3) 0.4987(3) 0.0763(14) Uani 1 8 0 d .
C17 C 0.69686(9) 0.9472(3) 0.4174(3) 0.0870(16) Uani 1 8 0 d .
C18 C 0.67208(6) 0.87031(19) 0.79621(18) 0.0364(8) Uani 1 8 0 d .
C19 C 0.65460(6) 0.8604(2) 0.8465(2) 0.0413(8) Uani 1 8 0 d .
C20 C 0.66184(8) 0.8253(2) 0.9219(2) 0.0537(10) Uani 1 8 0 d .
C21 C 0.68473(8) 0.8016(3) 0.9448(2) 0.0583(10) Uani 1 8 0 d .
C22 C 0.70167(7) 0.8123(2) 0.8933(2) 0.0548(10) Uani 1 8 0 d .
C23 C 0.69558(6) 0.8478(2) 0.8172(2) 0.0433(8) Uani 1 8 0 d .
C24 C 0.62888(7) 0.8837(2) 0.8204(2) 0.0467(9) Uani 1 8 0 d .
C25 C 0.61352(8) 0.8074(3) 0.8071(3) 0.0659(11) Uani 1 8 0 d .
C26 C 0.61994(8) 0.9412(3) 0.8807(3) 0.0705(12) Uani 1 8 0 d .
C27 C 0.71417(7) 0.8583(3) 0.7615(2) 0.0535(9) Uani 1 8 0 d .
C28 C 0.72133(8) 0.7756(3) 0.7289(3) 0.0655(12) Uani 1 8 0 d .
C29 C 0.73580(8) 0.9046(3) 0.8032(3) 0.0780(14) Uani 1 8 0 d .
C31 C 0.65997(6) 0.60051(19) 0.63961(19) 0.0408(8) Uani 1 8 0 d .
C33 C 0.66673(8) 0.4704(2) 0.6028(2) 0.0553(10) Uani 1 8 0 d .
C34 C 0.65551(8) 0.4666(2) 0.6683(2) 0.0595(11) Uani 1 8 0 d .
C36 C 0.67979(6) 0.58223(19) 0.5170(2) 0.0415(8) Uani 1 8 0 d .
C37 C 0.70435(7) 0.5822(2) 0.5203(3) 0.0581(10) Uani 1 8 0 d .
C38 C 0.71326(8) 0.6079(3) 0.4503(3) 0.0682(13) Uani 1 8 0 d .
C39 C 0.69913(8) 0.6334(3) 0.3817(3) 0.0612(11) Uani 1 8 0 d .
C40 C 0.67518(7) 0.6335(2) 0.3821(2) 0.0484(9) Uani 1 8 0 d .
C41 C 0.66492(6) 0.60737(19) 0.4484(2) 0.0387(8) Uani 1 8 0 d .
C42 C 0.72016(9) 0.5562(3) 0.5958(3) 0.0861(15) Uani 1 8 0 d .
C43 C 0.70972(10) 0.6613(4) 0.3085(3) 0.0997(19) Uani 1 8 0 d .
C44 C 0.63852(6) 0.6088(2) 0.4443(2) 0.0472(9) Uani 1 8 0 d .
C45 C 0.63965(7) 0.5701(2) 0.7581(2) 0.0466(9) Uani 1 8 0 d .
C46 C 0.65367(7) 0.5915(2) 0.8309(2) 0.0477(9) Uani 1 8 0 d .
C47 C 0.64204(8) 0.6115(2) 0.8957(2) 0.0518(10) Uani 1 8 0 d .
C48 C 0.61764(9) 0.6094(2) 0.8905(2) 0.0589(11) Uani 1 8 0 d .
C49 C 0.60463(8) 0.5888(3) 0.8169(3) 0.0638(11) Uani 1 8 0 d .
C50 C 0.61529(8) 0.5688(2) 0.7493(2) 0.0538(10) Uani 1 8 0 d .
C51 C 0.68017(8) 0.5930(3) 0.8395(2) 0.0597(11) Uani 1 8 0 d .
C52 C 0.60554(10) 0.6302(3) 0.9630(3) 0.0788(14) Uani 1 8 0 d .
C53 C 0.60060(9) 0.5487(3) 0.6697(3) 0.0772(14) Uani 1 8 0 d .
C61 C 0.5 0.6343(3) 0.25 0.0327(10) Uani 1 4 0 d .
C63 C 0.48864(6) 0.5018(2) 0.2563(2) 0.0420(8) Uani 1 8 0 d .
C64 C 0.45935(5) 0.61266(18) 0.2790(2) 0.0370(7) Uani 1 8 0 d .
C65 C 0.45663(6) 0.6219(2) 0.3600(2) 0.0433(8) Uani 1 8 0 d .
C66 C 0.43513(7) 0.6556(2) 0.3763(2) 0.0519(9) Uani 1 8 0 d .
C67 C 0.41763(7) 0.6763(2) 0.3149(3) 0.0551(10) Uani 1 8 0 d .
C68 C 0.42070(7) 0.6645(2) 0.2346(3) 0.0526(9) Uani 1 8 0 d .
C69 C 0.44193(6) 0.6328(2) 0.2147(2) 0.0428(8) Uani 1 8 0 d .
C70 C 0.47555(7) 0.5972(2) 0.4286(2) 0.0494(9) Uani 1 8 0 d .
C71 C 0.48417(10) 0.6706(3) 0.4806(3) 0.0911(17) Uani 1 8 0 d .
C72 C 0.46685(9) 0.5293(3) 0.4789(3) 0.0877(16) Uani 1 8 0 d .
C73 C 0.44561(7) 0.6219(3) 0.1269(2) 0.0508(9) Uani 1 8 0 d .
C74 C 0.45388(8) 0.7018(3) 0.0920(3) 0.0704(12) Uani 1 8 0 d .
C75 C 0.42348(8) 0.5912(3) 0.0734(3) 0.0657(11) Uani 1 8 0 d .
C81 C 0.5 0.8903(3) 0.25 0.0589(15) Uani 1 4 0 d .
C83 C 0.49338(14) 1.0225(3) 0.2796(3) 0.111(2) Uani 1 8 0 d .
C84 C 0.47449(10) 0.9148(2) 0.3568(3) 0.0666(12) Uani 1 8 0 d .
C85 C 0.48583(9) 0.8982(2) 0.4353(3) 0.0650(12) Uani 1 8 0 d .
C86 C 0.47160(13) 0.8751(3) 0.4917(3) 0.0835(16) Uani 1 8 0 d .
C87 C 0.44743(16) 0.8678(3) 0.4735(5) 0.107(2) Uani 1 8 0 d .
C88 C 0.43755(12) 0.8833(4) 0.3951(6) 0.109(2) Uani 1 8 0 d .
C89 C 0.45054(12) 0.9073(4) 0.3353(4) 0.0945(18) Uani 1 8 0 d .
C90 C 0.51229(10) 0.9044(3) 0.4560(3) 0.0810(15) Uani 1 8 0 d .
C91 C 0.43266(16) 0.8406(4) 0.5375(6) 0.161(4) Uani 1 8 0 d .
C92 C 0.43914(14) 0.9243(5) 0.2495(5) 0.146(3) Uani 1 8 0 d .
C94 C 0.72408(11) 0.8300(5) 0.1481(4) 0.111(2) Uani 1 8 0 d .
C95 C 0.7220(2) 0.9139(6) 0.1494(10) 0.270(9) Uani 1 8 0 d .
C96 C 0.7412(2) 0.9490(6) 0.1160(9) 0.224(6) Uani 1 8 0 d .
C97 C 0.75025(14) 0.8811(7) 0.0728(4) 0.143(3) Uani 1 8 0 d .
C99 C 0.5395(2) 0.3151(5) 0.1589(5) 0.092(3) Uani 0.5 8 0 d .
C100 C 0.5325(3) 0.2304(6) 0.1691(6) 0.121(5) Uani 0.5 8 0 d .
C101 C 0.5410(3) 0.2160(6) 0.2539(6) 0.105(4) Uani 0.5 8 0 d .
C102 C 0.5434(2) 0.2943(5) 0.2957(5) 0.096(3) Uani 0.5 8 0 d .
B1 B 0.65141(9) 0.7671(2) 0.1464(3) 0.0509(11) Uani 1 8 0 d .
B2 B 0.52908(16) 0.2422(5) 0.2127(6) 0.35(3) Uiso 0.5 8 0 d .
H3 H 0.65061 1.03832 0.58568 0.0498 Uiso 1 8 0 calc R
H4 H 0.66518 1.03142 0.73203 0.0479 Uiso 1 8 0 calc R
H8 H 0.5968 0.82308 0.39274 0.0602 Uiso 1 8 0 calc R
H9 H 0.62376 0.80682 0.30205 0.0615 Uiso 1 8 0 calc R
H10 H 0.66323 0.83881 0.33865 0.0586 Uiso 1 8 0 calc R
H10A H 0.51515 0.2237 0.15743 0.1453 Uiso 0.5 8 0 calc R
H10B H 0.54025 0.19301 0.13382 0.1453 Uiso 0.5 8 0 calc R
H10C H 0.55652 0.18774 0.25941 0.1258 Uiso 0.5 8 0 calc R
H10D H 0.5297 0.18049 0.27784 0.1258 Uiso 0.5 8 0 calc R
H10E H 0.52848 0.30876 0.3168 0.1152 Uiso 0.5 8 0 calc R
H10F H 0.55638 0.29237 0.34139 0.1152 Uiso 0.5 8 0 calc R
H12 H 0.61033 0.90425 0.59561 0.0659 Uiso 1 8 0 calc R
H13A H 0.60919 0.76088 0.6043 0.0797 Uiso 1 8 0 calc R
H13B H 0.58832 0.75648 0.52982 0.0797 Uiso 1 8 0 calc R
H13C H 0.58353 0.79625 0.61379 0.0797 Uiso 1 8 0 calc R
H14A H 0.57286 0.89178 0.46352 0.0990 Uiso 1 8 0 calc R
H14B H 0.58505 0.97584 0.49698 0.0990 Uiso 1 8 0 calc R
H14C H 0.56948 0.92397 0.55185 0.0990 Uiso 1 8 0 calc R
H15 H 0.68773 0.92961 0.52968 0.0567 Uiso 1 8 0 calc R
H16A H 0.71768 0.8359 0.5196 0.0916 Uiso 1 8 0 calc R
H16B H 0.70142 0.78696 0.44965 0.0916 Uiso 1 8 0 calc R
H16C H 0.69471 0.78781 0.5397 0.0916 Uiso 1 8 0 calc R
H17A H 0.68722 0.99665 0.40557 0.1045 Uiso 1 8 0 calc R
H17B H 0.69693 0.91516 0.36767 0.1045 Uiso 1 8 0 calc R
H17C H 0.71311 0.96299 0.43865 0.1045 Uiso 1 8 0 calc R
H20 H 0.65057 0.81755 0.95822 0.0644 Uiso 1 8 0 calc R
H21 H 0.68913 0.77753 0.99656 0.0699 Uiso 1 8 0 calc R
H22 H 0.71753 0.79536 0.91009 0.0657 Uiso 1 8 0 calc R
H24 H 0.62795 0.91333 0.76752 0.0560 Uiso 1 8 0 calc R
H25A H 0.6138 0.77789 0.85845 0.0791 Uiso 1 8 0 calc R
H25B H 0.61963 0.7716 0.7675 0.0791 Uiso 1 8 0 calc R
H25C H 0.59722 0.82341 0.78687 0.0791 Uiso 1 8 0 calc R
H26A H 0.63046 0.98893 0.88937 0.0846 Uiso 1 8 0 calc R
H26B H 0.61966 0.91236 0.93212 0.0846 Uiso 1 8 0 calc R
H26C H 0.6039 0.95956 0.8597 0.0846 Uiso 1 8 0 calc R
H27 H 0.70704 0.892 0.71433 0.0642 Uiso 1 8 0 calc R
H28A H 0.7072 0.74707 0.70264 0.0786 Uiso 1 8 0 calc R
H28B H 0.72904 0.74203 0.77373 0.0786 Uiso 1 8 0 calc R
H28C H 0.73234 0.78464 0.68955 0.0786 Uiso 1 8 0 calc R
H29A H 0.73066 0.95527 0.82727 0.0935 Uiso 1 8 0 calc R
H29B H 0.74632 0.91819 0.76328 0.0935 Uiso 1 8 0 calc R
H29C H 0.7443 0.86997 0.84565 0.0935 Uiso 1 8 0 calc R
H33 H 0.67188 0.42515 0.5737 0.0664 Uiso 1 8 0 calc R
H34 H 0.65121 0.41822 0.69468 0.0714 Uiso 1 8 0 calc R
H38 H 0.72992 0.60766 0.45028 0.0818 Uiso 1 8 0 calc R
H40 H 0.66521 0.65215 0.33532 0.0581 Uiso 1 8 0 calc R
H42A H 0.71876 0.49673 0.60317 0.1033 Uiso 1 8 0 calc R
H42B H 0.7154 0.58484 0.64262 0.1033 Uiso 1 8 0 calc R
H42C H 0.73662 0.57 0.59066 0.1033 Uiso 1 8 0 calc R
H43A H 0.71088 0.61449 0.2723 0.1196 Uiso 1 8 0 calc R
H43B H 0.72555 0.68391 0.3255 0.1196 Uiso 1 8 0 calc R
H43C H 0.69962 0.70374 0.27991 0.1196 Uiso 1 8 0 calc R
H44A H 0.6337 0.65917 0.46988 0.0566 Uiso 1 8 0 calc R
H44B H 0.63334 0.56091 0.47286 0.0566 Uiso 1 8 0 calc R
H44C H 0.63124 0.60736 0.38764 0.0566 Uiso 1 8 0 calc R
H47 H 0.6511 0.62722 0.94539 0.0621 Uiso 1 8 0 calc R
H49 H 0.58784 0.58822 0.81249 0.0765 Uiso 1 8 0 calc R
H51A H 0.68659 0.60158 0.89638 0.0716 Uiso 1 8 0 calc R
H51B H 0.68531 0.63785 0.80674 0.0716 Uiso 1 8 0 calc R
H51C H 0.68594 0.54059 0.82088 0.0716 Uiso 1 8 0 calc R
H52A H 0.61486 0.67152 0.99612 0.0946 Uiso 1 8 0 calc R
H52B H 0.60422 0.58049 0.99526 0.0946 Uiso 1 8 0 calc R
H52C H 0.58969 0.65195 0.94465 0.0946 Uiso 1 8 0 calc R
H53A H 0.60198 0.48997 0.65833 0.0927 Uiso 1 8 0 calc R
H53B H 0.60627 0.58075 0.62652 0.0927 Uiso 1 8 0 calc R
H53C H 0.58399 0.5623 0.67256 0.0927 Uiso 1 8 0 calc R
H63 H 0.47903 0.45492 0.26156 0.0504 Uiso 1 8 0 calc R
H66 H 0.43265 0.66423 0.43081 0.0623 Uiso 1 8 0 calc R
H67 H 0.40322 0.69901 0.32745 0.0661 Uiso 1 8 0 calc R
H68 H 0.40827 0.6782 0.19282 0.0631 Uiso 1 8 0 calc R
H70 H 0.48932 0.57535 0.40398 0.0593 Uiso 1 8 0 calc R
H71A H 0.47099 0.69348 0.50548 0.1093 Uiso 1 8 0 calc R
H71B H 0.49031 0.71262 0.44688 0.1093 Uiso 1 8 0 calc R
H71C H 0.49678 0.65317 0.52309 0.1093 Uiso 1 8 0 calc R
H72A H 0.46266 0.48113 0.44459 0.1053 Uiso 1 8 0 calc R
H72B H 0.45288 0.54818 0.50188 0.1053 Uiso 1 8 0 calc R
H72C H 0.47938 0.51444 0.52268 0.1053 Uiso 1 8 0 calc R
H73 H 0.45837 0.58 0.12509 0.0609 Uiso 1 8 0 calc R
H74A H 0.46911 0.71822 0.12231 0.0844 Uiso 1 8 0 calc R
H74B H 0.44213 0.74498 0.09632 0.0844 Uiso 1 8 0 calc R
H74C H 0.45571 0.69364 0.03501 0.0844 Uiso 1 8 0 calc R
H75A H 0.42749 0.57681 0.01989 0.0788 Uiso 1 8 0 calc R
H75B H 0.41142 0.63445 0.06787 0.0788 Uiso 1 8 0 calc R
H75C H 0.41732 0.54253 0.09819 0.0788 Uiso 1 8 0 calc R
H83 H 0.48795 1.06948 0.30531 0.1329 Uiso 1 8 0 calc R
H86 H 0.47876 0.86378 0.54537 0.1002 Uiso 1 8 0 calc R
H88 H 0.42091 0.87723 0.38139 0.1310 Uiso 1 8 0 calc R
H90A H 0.51982 0.86084 0.42799 0.0972 Uiso 1 8 0 calc R
H90B H 0.51667 0.89831 0.51455 0.0972 Uiso 1 8 0 calc R
H90C H 0.5176 0.95809 0.4389 0.0972 Uiso 1 8 0 calc R
H91A H 0.43791 0.86977 0.58817 0.1930 Uiso 1 8 0 calc R
H91B H 0.43456 0.7813 0.54633 0.1930 Uiso 1 8 0 calc R
H91C H 0.41596 0.85309 0.51948 0.1930 Uiso 1 8 0 calc R
H92A H 0.42204 0.91489 0.24532 0.1748 Uiso 1 8 0 calc R
H92B H 0.44591 0.88758 0.21222 0.1748 Uiso 1 8 0 calc R
H92C H 0.44209 0.98153 0.23555 0.1748 Uiso 1 8 0 calc R
H94A H 0.70837 0.80519 0.13049 0.1333 Uiso 1 8 0 calc R
H94B H 0.72981 0.80982 0.20326 0.1333 Uiso 1 8 0 calc R
H95A H 0.72213 0.93315 0.20568 0.3243 Uiso 1 8 0 calc R
H95B H 0.70686 0.93087 0.11745 0.3243 Uiso 1 8 0 calc R
H96A H 0.75339 0.96994 0.15905 0.2687 Uiso 1 8 0 calc R
H96B H 0.73577 0.99452 0.07869 0.2687 Uiso 1 8 0 calc R
H97A H 0.74637 0.88985 0.0138 0.1719 Uiso 1 8 0 calc R
H97B H 0.76769 0.87828 0.08626 0.1719 Uiso 1 8 0 calc R
H99A H 0.55185 0.31694 0.12261 0.1103 Uiso 0.5 8 0 calc R
H99B H 0.52565 0.34657 0.13287 0.1103 Uiso 0.5 8 0 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)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 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)
;
B B 0.0013 0.0007
;
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)
;
N N 0.0061 0.0033
;
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)
;
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
C1 Ag1 C31 179.00(13) yes . .
C61 Ag2 C81 180.000 yes . .
C94 O93 C97 104.4(6) yes . .
C99 O98 C102 104.3(7) yes . .
C1 N2 C3 111.2(3) yes . .
C1 N2 C6 121.9(2) yes . .
C3 N2 C6 126.8(2) yes . .
C1 N5 C4 111.3(2) yes . .
C1 N5 C18 122.2(2) yes . .
C4 N5 C18 126.5(3) yes . .
C31 N32 C33 110.9(3) yes . .
C31 N32 C36 125.4(3) yes . .
C33 N32 C36 123.7(3) yes . .
C31 N35 C34 111.0(3) yes . .
C31 N35 C45 124.9(3) yes . .
C34 N35 C45 124.1(3) yes . .
C61 N62 C63 111.2(3) yes . .
C61 N62 C64 122.6(3) yes . .
C63 N62 C64 126.0(3) yes . .
C81 N82 C83 110.4(4) yes . .
C81 N82 C84 124.9(3) yes . .
C83 N82 C84 124.7(4) yes . .
Ag1 C1 N2 127.9(2) yes . .
Ag1 C1 N5 128.1(2) yes . .
N2 C1 N5 103.9(3) yes . .
N2 C3 C4 106.5(3) yes . .
N5 C4 C3 107.0(3) yes . .
N2 C6 C7 118.0(3) yes . .
N2 C6 C11 117.9(3) yes . .
C7 C6 C11 124.1(3) yes . .
C6 C7 C8 116.4(3) yes . .
C6 C7 C12 122.2(3) yes . .
C8 C7 C12 121.3(3) yes . .
C7 C8 C9 121.3(3) yes . .
C8 C9 C10 120.7(3) yes . .
C9 C10 C11 121.0(4) yes . .
C6 C11 C10 116.5(3) yes . .
C6 C11 C15 122.3(3) yes . .
C10 C11 C15 121.3(3) yes . .
C7 C12 C13 111.2(3) yes . .
C7 C12 C14 111.5(3) yes . .
C13 C12 C14 109.4(4) yes . .
C11 C15 C16 111.5(3) yes . .
C11 C15 C17 113.3(3) yes . .
C16 C15 C17 110.3(4) yes . .
N5 C18 C19 117.3(3) yes . .
N5 C18 C23 118.5(3) yes . .
C19 C18 C23 124.1(3) yes . .
C18 C19 C20 116.3(3) yes . .
C18 C19 C24 122.5(3) yes . .
C20 C19 C24 121.2(3) yes . .
C19 C20 C21 121.6(4) yes . .
C20 C21 C22 120.7(4) yes . .
C21 C22 C23 120.5(4) yes . .
C18 C23 C22 116.8(3) yes . .
C18 C23 C27 123.3(3) yes . .
C22 C23 C27 119.9(3) yes . .
C19 C24 C25 110.6(3) yes . .
C19 C24 C26 111.3(3) yes . .
C25 C24 C26 111.3(4) yes . .
C23 C27 C28 111.3(3) yes . .
C23 C27 C29 111.5(3) yes . .
C28 C27 C29 111.0(4) yes . .
Ag1 C31 N32 128.0(2) yes . .
Ag1 C31 N35 127.2(2) yes . .
N32 C31 N35 104.7(3) yes . .
N32 C33 C34 106.9(3) yes . .
N35 C34 C33 106.5(3) yes . .
N32 C36 C37 119.3(3) yes . .
N32 C36 C41 118.8(3) yes . .
C37 C36 C41 121.9(4) yes . .
C36 C37 C38 116.4(4) yes . .
C36 C37 C42 121.0(4) yes . .
C38 C37 C42 122.6(4) yes . .
C37 C38 C39 123.2(4) yes . .
C38 C39 C40 118.1(4) yes . .
C38 C39 C43 120.9(4) yes . .
C40 C39 C43 121.0(4) yes . .
C39 C40 C41 122.3(3) yes . .
C36 C41 C40 118.1(3) yes . .
C36 C41 C44 122.5(3) yes . .
C40 C41 C44 119.4(3) yes . .
N35 C45 C46 118.3(3) yes . .
N35 C45 C50 118.8(3) yes . .
C46 C45 C50 122.9(4) yes . .
C45 C46 C47 117.3(4) yes . .
C45 C46 C51 122.3(3) yes . .
C47 C46 C51 120.4(3) yes . .
C46 C47 C48 122.1(3) yes . .
C47 C48 C49 118.2(4) yes . .
C47 C48 C52 120.7(4) yes . .
C49 C48 C52 121.1(4) yes . .
C48 C49 C50 122.3(4) yes . .
C45 C50 C49 117.1(3) yes . .
C45 C50 C53 121.9(4) yes . .
C49 C50 C53 120.9(4) yes . .
Ag2 C61 N62 127.90(19) yes . .
Ag2 C61 N62 127.90(19) yes . 2_655
N62 C61 N62 104.2(4) yes . 2_655
N62 C63 C63 106.7(3) yes . 2_655
N62 C64 C65 117.9(3) yes . .
N62 C64 C69 118.0(3) yes . .
C65 C64 C69 124.0(3) yes . .
C64 C65 C66 116.6(3) yes . .
C64 C65 C70 122.9(3) yes . .
C66 C65 C70 120.6(3) yes . .
C65 C66 C67 121.2(4) yes . .
C66 C67 C68 120.8(4) yes . .
C67 C68 C69 120.5(3) yes . .
C64 C69 C68 116.9(3) yes . .
C64 C69 C73 122.4(3) yes . .
C68 C69 C73 120.7(3) yes . .
C65 C70 C71 111.3(3) yes . .
C65 C70 C72 111.1(3) yes . .
C71 C70 C72 111.3(4) yes . .
C69 C73 C74 111.0(3) yes . .
C69 C73 C75 113.0(3) yes . .
C74 C73 C75 109.3(3) yes . .
Ag2 C81 N82 127.7(2) yes . .
Ag2 C81 N82 127.7(2) yes . 2_655
N82 C81 N82 104.5(4) yes . 2_655
N82 C83 C83 107.3(4) yes . 2_655
N82 C84 C85 118.0(5) yes . .
N82 C84 C89 119.2(5) yes . .
C85 C84 C89 122.8(5) yes . .
C84 C85 C86 116.8(5) yes . .
C84 C85 C90 121.3(5) yes . .
C86 C85 C90 121.9(4) yes . .
C85 C86 C87 122.6(6) yes . .
C86 C87 C88 117.5(8) yes . .
C86 C87 C91 120.5(7) yes . .
C88 C87 C91 122.0(8) yes . .
C87 C88 C89 123.4(7) yes . .
C84 C89 C88 116.9(6) yes . .
C84 C89 C92 121.0(6) yes . .
C88 C89 C92 122.1(6) yes . .
O93 C94 C95 110.5(8) yes . .
C94 C95 C96 108.9(10) yes . .
C95 C96 C97 103.6(9) yes . .
O93 C97 C96 109.7(8) yes . .
O98 C99 C100 111.9(7) yes . .
C99 C100 C101 102.0(9) yes . .
C100 C101 C102 108.9(8) yes . .
O98 C102 C101 105.2(8) yes . .
F1 B1 F2 110.7(4) yes . .
F1 B1 F3 108.8(3) yes . .
F1 B1 F4 109.8(3) yes . .
F2 B1 F3 108.0(3) yes . .
F2 B1 F4 110.0(4) yes . .
F3 B1 F4 109.4(4) yes . .
F5 B2 F6 108.8(10) yes . .
F5 B2 F7 110.1(10) yes . .
F5 B2 F8 110.0(12) yes . .
F6 B2 F7 108.5(10) yes . .
F6 B2 F8 109.5(11) yes . .
F7 B2 F8 110.0(11) yes . .
N2 C3 H3 126.732 no . .
C4 C3 H3 126.723 no . .
N5 C4 H4 126.490 no . .
C3 C4 H4 126.491 no . .
C7 C8 H8 119.340 no . .
C9 C8 H8 119.323 no . .
C8 C9 H9 119.692 no . .
C10 C9 H9 119.637 no . .
C9 C10 H10 119.492 no . .
C11 C10 H10 119.508 no . .
C7 C12 H12 108.219 no . .
C13 C12 H12 108.199 no . .
C14 C12 H12 108.201 no . .
C12 C13 H13A 109.449 no . .
C12 C13 H13B 109.467 no . .
C12 C13 H13C 109.479 no . .
H13A C13 H13B 109.466 no . .
H13A C13 H13C 109.469 no . .
H13B C13 H13C 109.497 no . .
C12 C14 H14A 109.470 no . .
C12 C14 H14B 109.496 no . .
C12 C14 H14C 109.483 no . .
H14A C14 H14B 109.464 no . .
H14A C14 H14C 109.455 no . .
H14B C14 H14C 109.459 no . .
C11 C15 H15 107.135 no . .
C16 C15 H15 107.155 no . .
C17 C15 H15 107.161 no . .
C15 C16 H16A 109.466 no . .
C15 C16 H16B 109.487 no . .
C15 C16 H16C 109.477 no . .
H16A C16 H16B 109.466 no . .
H16A C16 H16C 109.457 no . .
H16B C16 H16C 109.475 no . .
C15 C17 H17A 109.484 no . .
C15 C17 H17B 109.483 no . .
C15 C17 H17C 109.457 no . .
H17A C17 H17B 109.487 no . .
H17A C17 H17C 109.463 no . .
H17B C17 H17C 109.454 no . .
C19 C20 H20 119.197 no . .
C21 C20 H20 119.214 no . .
C20 C21 H21 119.668 no . .
C22 C21 H21 119.618 no . .
C21 C22 H22 119.764 no . .
C23 C22 H22 119.747 no . .
C19 C24 H24 107.865 no . .
C25 C24 H24 107.826 no . .
C26 C24 H24 107.842 no . .
C24 C25 H25A 109.478 no . .
C24 C25 H25B 109.466 no . .
C24 C25 H25C 109.479 no . .
H25A C25 H25B 109.470 no . .
H25A C25 H25C 109.459 no . .
H25B C25 H25C 109.475 no . .
C24 C26 H26A 109.477 no . .
C24 C26 H26B 109.483 no . .
C24 C26 H26C 109.475 no . .
H26A C26 H26B 109.471 no . .
H26A C26 H26C 109.474 no . .
H26B C26 H26C 109.447 no . .
C23 C27 H27 107.616 no . .
C28 C27 H27 107.623 no . .
C29 C27 H27 107.631 no . .
C27 C28 H28A 109.471 no . .
C27 C28 H28B 109.465 no . .
C27 C28 H28C 109.467 no . .
H28A C28 H28B 109.456 no . .
H28A C28 H28C 109.490 no . .
H28B C28 H28C 109.480 no . .
C27 C29 H29A 109.488 no . .
C27 C29 H29B 109.481 no . .
C27 C29 H29C 109.480 no . .
H29A C29 H29B 109.471 no . .
H29A C29 H29C 109.463 no . .
H29B C29 H29C 109.444 no . .
N32 C33 H33 126.576 no . .
C34 C33 H33 126.560 no . .
N35 C34 H34 126.758 no . .
C33 C34 H34 126.749 no . .
C37 C38 H38 118.381 no . .
C39 C38 H38 118.392 no . .
C39 C40 H40 118.872 no . .
C41 C40 H40 118.852 no . .
C37 C42 H42A 109.480 no . .
C37 C42 H42B 109.493 no . .
C37 C42 H42C 109.455 no . .
H42A C42 H42B 109.489 no . .
H42A C42 H42C 109.460 no . .
H42B C42 H42C 109.450 no . .
C39 C43 H43A 109.467 no . .
C39 C43 H43B 109.476 no . .
C39 C43 H43C 109.454 no . .
H43A C43 H43B 109.479 no . .
H43A C43 H43C 109.475 no . .
H43B C43 H43C 109.475 no . .
C41 C44 H44A 109.488 no . .
C41 C44 H44B 109.471 no . .
C41 C44 H44C 109.472 no . .
H44A C44 H44B 109.467 no . .
H44A C44 H44C 109.461 no . .
H44B C44 H44C 109.467 no . .
C46 C47 H47 118.959 no . .
C48 C47 H47 118.930 no . .
C48 C49 H49 118.834 no . .
C50 C49 H49 118.830 no . .
C46 C51 H51A 109.460 no . .
C46 C51 H51B 109.477 no . .
C46 C51 H51C 109.471 no . .
H51A C51 H51B 109.487 no . .
H51A C51 H51C 109.475 no . .
H51B C51 H51C 109.458 no . .
C48 C52 H52A 109.457 no . .
C48 C52 H52B 109.463 no . .
C48 C52 H52C 109.478 no . .
H52A C52 H52B 109.475 no . .
H52A C52 H52C 109.483 no . .
H52B C52 H52C 109.470 no . .
C50 C53 H53A 109.466 no . .
C50 C53 H53B 109.479 no . .
C50 C53 H53C 109.465 no . .
H53A C53 H53B 109.465 no . .
H53A C53 H53C 109.479 no . .
H53B C53 H53C 109.473 no . .
N62 C63 H63 126.652 no . .
C63 C63 H63 126.626 no 2_655 .
C65 C66 H66 119.414 no . .
C67 C66 H66 119.408 no . .
C66 C67 H67 119.585 no . .
C68 C67 H67 119.585 no . .
C67 C68 H68 119.738 no . .
C69 C68 H68 119.741 no . .
C65 C70 H70 107.642 no . .
C71 C70 H70 107.679 no . .
C72 C70 H70 107.642 no . .
C70 C71 H71A 109.487 no . .
C70 C71 H71B 109.453 no . .
C70 C71 H71C 109.457 no . .
H71A C71 H71B 109.479 no . .
H71A C71 H71C 109.484 no . .
H71B C71 H71C 109.467 no . .
C70 C72 H72A 109.467 no . .
C70 C72 H72B 109.484 no . .
C70 C72 H72C 109.455 no . .
H72A C72 H72B 109.480 no . .
H72A C72 H72C 109.466 no . .
H72B C72 H72C 109.476 no . .
C69 C73 H73 107.800 no . .
C74 C73 H73 107.796 no . .
C75 C73 H73 107.811 no . .
C73 C74 H74A 109.479 no . .
C73 C74 H74B 109.463 no . .
C73 C74 H74C 109.478 no . .
H74A C74 H74B 109.476 no . .
H74A C74 H74C 109.467 no . .
H74B C74 H74C 109.464 no . .
C73 C75 H75A 109.480 no . .
C73 C75 H75B 109.460 no . .
C73 C75 H75C 109.478 no . .
H75A C75 H75B 109.457 no . .
H75A C75 H75C 109.477 no . .
H75B C75 H75C 109.476 no . .
N82 C83 H83 126.362 no . .
C83 C83 H83 126.336 no 2_655 .
C85 C86 H86 118.684 no . .
C87 C86 H86 118.676 no . .
C87 C88 H88 118.323 no . .
C89 C88 H88 118.323 no . .
C85 C90 H90A 109.474 no . .
C85 C90 H90B 109.447 no . .
C85 C90 H90C 109.441 no . .
H90A C90 H90B 109.489 no . .
H90A C90 H90C 109.490 no . .
H90B C90 H90C 109.486 no . .
C87 C91 H91A 109.439 no . .
C87 C91 H91B 109.470 no . .
C87 C91 H91C 109.488 no . .
H91A C91 H91B 109.467 no . .
H91A C91 H91C 109.488 no . .
H91B C91 H91C 109.475 no . .
C89 C92 H92A 109.480 no . .
C89 C92 H92B 109.480 no . .
C89 C92 H92C 109.477 no . .
H92A C92 H92B 109.454 no . .
H92A C92 H92C 109.469 no . .
H92B C92 H92C 109.467 no . .
O93 C94 H94A 109.568 no . .
O93 C94 H94B 109.560 no . .
C95 C94 H94A 109.555 no . .
C95 C94 H94B 109.546 no . .
H94A C94 H94B 108.100 no . .
C94 C95 H95A 109.910 no . .
C94 C95 H95B 109.902 no . .
C96 C95 H95A 109.900 no . .
C96 C95 H95B 109.902 no . .
H95A C95 H95B 108.321 no . .
C95 C96 H96A 111.058 no . .
C95 C96 H96B 111.085 no . .
C97 C96 H96A 111.010 no . .
C97 C96 H96B 111.038 no . .
H96A C96 H96B 109.012 no . .
O93 C97 H97A 109.701 no . .
O93 C97 H97B 109.711 no . .
C96 C97 H97A 109.709 no . .
C96 C97 H97B 109.737 no . .
H97A C97 H97B 108.218 no . .
O98 C99 H99A 109.239 no . .
O98 C99 H99B 109.220 no . .
C100 C99 H99A 109.234 no . .
C100 C99 H99B 109.215 no . .
H99A C99 H99B 107.923 no . .
C99 C100 H10A 111.369 no . .
C99 C100 H10B 111.354 no . .
C101 C100 H10A 111.368 no . .
C101 C100 H10B 111.344 no . .
H10A C100 H10B 109.250 no . .
C100 C101 H10C 109.920 no . .
C100 C101 H10D 109.898 no . .
C102 C101 H10C 109.925 no . .
C102 C101 H10D 109.905 no . .
H10C C101 H10D 108.314 no . .
O98 C102 H10E 110.695 no . .
O98 C102 H10F 110.712 no . .
C101 C102 H10E 110.708 no . .
C101 C102 H10F 110.689 no . .
H10E C102 H10F 108.802 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
Ag1 C1 2.077(3) yes .
Ag1 C31 2.082(3) yes .
Ag2 C61 2.092(5) yes .
Ag2 C81 2.075(5) yes .
F1 B1 1.382(5) yes .
F2 B1 1.379(5) yes .
F3 B1 1.382(5) yes .
F4 B1 1.376(5) yes .
F5 B2 1.374(15) yes .
F6 B2 1.375(14) yes .
F7 B2 1.374(14) yes .
F8 B2 1.374(13) yes .
O93 C94 1.409(8) yes .
O93 C97 1.424(11) yes .
O98 C99 1.450(10) yes .
O98 C102 1.449(11) yes .
N2 C1 1.360(4) yes .
N2 C3 1.382(4) yes .
N2 C6 1.449(4) yes .
N5 C1 1.352(4) yes .
N5 C4 1.380(4) yes .
N5 C18 1.454(4) yes .
N32 C31 1.353(4) yes .
N32 C33 1.383(4) yes .
N32 C36 1.444(5) yes .
N35 C31 1.344(4) yes .
N35 C34 1.390(4) yes .
N35 C45 1.446(5) yes .
N62 C61 1.354(4) yes .
N62 C63 1.384(4) yes .
N62 C64 1.447(4) yes .
N82 C81 1.356(5) yes .
N82 C83 1.385(6) yes .
N82 C84 1.442(7) yes .
C3 C4 1.339(5) yes .
C6 C7 1.395(5) yes .
C6 C11 1.394(5) yes .
C7 C8 1.392(5) yes .
C7 C12 1.517(6) yes .
C8 C9 1.379(6) yes .
C9 C10 1.372(6) yes .
C10 C11 1.403(5) yes .
C11 C15 1.518(5) yes .
C12 C13 1.524(6) yes .
C12 C14 1.521(6) yes .
C15 C16 1.509(6) yes .
C15 C17 1.498(7) yes .
C18 C19 1.398(5) yes .
C18 C23 1.387(5) yes .
C19 C20 1.391(5) yes .
C19 C24 1.520(5) yes .
C20 C21 1.364(6) yes .
C21 C22 1.388(6) yes .
C22 C23 1.395(5) yes .
C23 C27 1.512(6) yes .
C24 C25 1.519(6) yes .
C24 C26 1.513(6) yes .
C27 C28 1.528(6) yes .
C27 C29 1.529(6) yes .
C33 C34 1.341(6) yes .
C36 C37 1.394(5) yes .
C36 C41 1.391(5) yes .
C37 C38 1.400(7) yes .
C37 C42 1.507(6) yes .
C38 C39 1.370(6) yes .
C39 C40 1.366(6) yes .
C39 C43 1.505(8) yes .
C40 C41 1.387(5) yes .
C41 C44 1.498(5) yes .
C45 C46 1.404(5) yes .
C45 C50 1.377(6) yes .
C46 C47 1.382(6) yes .
C46 C51 1.498(6) yes .
C47 C48 1.383(7) yes .
C48 C49 1.387(6) yes .
C48 C52 1.510(7) yes .
C49 C50 1.391(6) yes .
C50 C53 1.506(6) yes .
C63 C63 1.340(5) yes 2_655
C64 C65 1.389(5) yes .
C64 C69 1.398(4) yes .
C65 C66 1.403(5) yes .
C65 C70 1.515(5) yes .
C66 C67 1.371(5) yes .
C67 C68 1.388(6) yes .
C68 C69 1.397(5) yes .
C69 C73 1.519(5) yes .
C70 C71 1.519(6) yes .
C70 C72 1.512(7) yes .
C73 C74 1.526(6) yes .
C73 C75 1.526(6) yes .
C83 C83 1.321(9) yes 2_655
C84 C85 1.406(6) yes .
C84 C89 1.369(9) yes .
C85 C86 1.376(8) yes .
C85 C90 1.504(7) yes .
C86 C87 1.375(11) yes .
C87 C88 1.376(12) yes .
C87 C91 1.514(13) yes .
C88 C89 1.377(12) yes .
C89 C92 1.515(10) yes .
C94 C95 1.371(13) yes .
C95 C96 1.412(19) yes .
C96 C97 1.453(16) yes .
C99 C100 1.450(14) yes .
C100 C101 1.450(14) yes .
C101 C102 1.450(13) yes .
C3 H3 0.950 no .
C4 H4 0.950 no .
C8 H8 0.950 no .
C9 H9 0.950 no .
C10 H10 0.950 no .
C12 H12 1.000 no .
C13 H13A 0.980 no .
C13 H13B 0.980 no .
C13 H13C 0.980 no .
C14 H14A 0.980 no .
C14 H14B 0.980 no .
C14 H14C 0.980 no .
C15 H15 1.000 no .
C16 H16A 0.980 no .
C16 H16B 0.980 no .
C16 H16C 0.980 no .
C17 H17A 0.980 no .
C17 H17B 0.980 no .
C17 H17C 0.980 no .
C20 H20 0.950 no .
C21 H21 0.950 no .
C22 H22 0.950 no .
C24 H24 1.000 no .
C25 H25A 0.980 no .
C25 H25B 0.980 no .
C25 H25C 0.980 no .
C26 H26A 0.980 no .
C26 H26B 0.980 no .
C26 H26C 0.980 no .
C27 H27 1.000 no .
C28 H28A 0.980 no .
C28 H28B 0.980 no .
C28 H28C 0.980 no .
C29 H29A 0.980 no .
C29 H29B 0.980 no .
C29 H29C 0.980 no .
C33 H33 0.950 no .
C34 H34 0.950 no .
C38 H38 0.950 no .
C40 H40 0.950 no .
C42 H42A 0.980 no .
C42 H42B 0.980 no .
C42 H42C 0.980 no .
C43 H43A 0.980 no .
C43 H43B 0.980 no .
C43 H43C 0.980 no .
C44 H44A 0.980 no .
C44 H44B 0.980 no .
C44 H44C 0.980 no .
C47 H47 0.950 no .
C49 H49 0.950 no .
C51 H51A 0.980 no .
C51 H51B 0.980 no .
C51 H51C 0.980 no .
C52 H52A 0.980 no .
C52 H52B 0.980 no .
C52 H52C 0.980 no .
C53 H53A 0.980 no .
C53 H53B 0.980 no .
C53 H53C 0.980 no .
C63 H63 0.950 no .
C66 H66 0.950 no .
C67 H67 0.950 no .
C68 H68 0.950 no .
C70 H70 1.000 no .
C71 H71A 0.980 no .
C71 H71B 0.980 no .
C71 H71C 0.980 no .
C72 H72A 0.980 no .
C72 H72B 0.980 no .
C72 H72C 0.980 no .
C73 H73 1.000 no .
C74 H74A 0.980 no .
C74 H74B 0.980 no .
C74 H74C 0.980 no .
C75 H75A 0.980 no .
C75 H75B 0.980 no .
C75 H75C 0.980 no .
C83 H83 0.950 no .
C86 H86 0.950 no .
C88 H88 0.950 no .
C90 H90A 0.980 no .
C90 H90B 0.980 no .
C90 H90C 0.980 no .
C91 H91A 0.980 no .
C91 H91B 0.980 no .
C91 H91C 0.980 no .
C92 H92A 0.980 no .
C92 H92B 0.980 no .
C92 H92C 0.980 no .
C94 H94A 0.990 no .
C94 H94B 0.990 no .
C95 H95A 0.990 no .
C95 H95B 0.990 no .
C96 H96A 0.990 no .
C96 H96B 0.990 no .
C97 H97A 0.990 no .
C97 H97B 0.990 no .
C99 H99A 0.990 no .
C99 H99B 0.990 no .
C100 H10A 0.990 no .
C100 H10B 0.990 no .
C101 H10C 0.990 no .
C101 H10D 0.990 no .
C102 H10E 0.990 no .
C102 H10F 0.990 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 C6 3.428(3) no .
Ag1 C18 3.433(3) no .
Ag1 C36 3.504(3) no .
Ag1 C45 3.464(4) no .
Ag2 C64 3.448(3) no .
Ag2 C64 3.448(3) no 2_655
Ag2 C74 3.599(4) no .
Ag2 C74 3.599(4) no 2_655
Ag2 C84 3.481(5) no .
Ag2 C84 3.481(5) no 2_655
N2 C12 2.885(5) no .
N2 C15 2.883(5) no .
N2 C18 3.540(4) no .
N5 C6 3.532(4) no .
N5 C24 2.883(5) no .
N5 C27 2.911(5) no .
N32 C42 2.878(6) no .
N32 C44 2.892(4) no .
N32 C45 3.543(5) no .
N35 C36 3.541(5) no .
N35 C51 2.890(5) no .
N35 C53 2.871(6) no .
N62 C64 3.532(4) no 2_655
N62 C70 2.891(5) no .
N62 C73 2.892(4) no .
N62 C74 3.596(5) no .
N82 C84 3.548(7) no 2_655
N82 C90 2.865(6) no .
N82 C92 2.853(9) no .
C1 C7 3.262(4) no .
C1 C11 3.306(4) no .
C1 C12 3.430(5) no .
C1 C15 3.528(5) no .
C1 C19 3.309(4) no .
C1 C23 3.254(4) no .
C1 C24 3.523(5) no .
C1 C27 3.445(5) no .
C3 C7 3.385(5) no .
C3 C11 3.355(5) no .
C3 C12 3.564(5) no .
C3 C15 3.497(5) no .
C3 C18 3.599(4) no .
C4 C6 3.591(4) no .
C4 C19 3.310(5) no .
C4 C23 3.429(5) no .
C4 C24 3.424(5) no .
C6 C9 2.732(5) no .
C6 C13 3.500(6) no .
C6 C16 3.452(6) no .
C7 C10 2.803(6) no .
C8 C11 2.798(5) no .
C8 C13 3.190(6) no .
C8 C14 3.016(7) no .
C10 C16 3.249(6) no .
C10 C17 3.021(7) no .
C18 C21 2.726(5) no .
C18 C25 3.521(6) no .
C18 C28 3.519(6) no .
C19 C22 2.802(5) no .
C20 C23 2.793(6) no .
C20 C25 3.146(6) no .
C20 C26 3.048(6) no .
C22 C28 3.159(6) no .
C22 C29 3.018(7) no .
C25 C48 3.505(6) no .
C31 C37 3.440(6) no .
C31 C41 3.244(5) no .
C31 C44 3.323(5) no .
C31 C46 3.264(5) no .
C31 C50 3.374(6) no .
C31 C51 3.378(5) no .
C31 C53 3.590(6) no .
C33 C37 3.259(6) no .
C33 C41 3.399(5) no .
C33 C42 3.368(7) no .
C33 C45 3.582(6) no .
C34 C36 3.576(5) no .
C34 C46 3.404(5) no .
C34 C50 3.272(6) no .
C34 C53 3.408(7) no .
C36 C39 2.773(6) no .
C37 C40 2.780(5) no .
C38 C41 2.752(6) no .
C45 C48 2.761(6) no .
C46 C49 2.774(6) no .
C47 C50 2.785(5) no .
C61 C63 2.259(6) no 2_655
C61 C64 2.457(3) no 2_655
C61 C65 3.281(4) no .
C61 C65 3.281(4) no 2_655
C61 C69 3.283(3) no .
C61 C69 3.283(3) no 2_655
C61 C70 3.510(4) no .
C61 C70 3.510(4) no 2_655
C61 C73 3.484(4) no .
C61 C73 3.484(4) no 2_655
C63 C64 3.589(5) no 2_655
C63 C65 3.319(5) no .
C63 C69 3.409(5) no .
C63 C70 3.438(5) no .
C64 C67 2.735(5) no .
C64 C71 3.593(6) no .
C64 C72 3.571(6) no .
C64 C74 3.417(6) no .
C65 C68 2.808(5) no .
C66 C69 2.800(6) no .
C66 C71 3.095(6) no .
C66 C72 3.096(6) no .
C68 C74 3.292(6) no .
C68 C75 2.966(6) no .
C71 C86 3.415(7) no .
C81 C83 2.251(6) no 2_655
C81 C84 2.482(5) no 2_655
C81 C85 3.303(5) no .
C81 C85 3.303(5) no 2_655
C81 C89 3.340(7) no .
C81 C89 3.340(7) no 2_655
C81 C90 3.420(5) no .
C81 C90 3.420(5) no 2_655
C81 C92 3.513(8) no .
C81 C92 3.513(8) no 2_655
C83 C84 3.569(8) no 2_655
C83 C85 3.367(7) no .
C83 C89 3.312(10) no .
C83 C90 3.558(7) no .
C83 C92 3.456(11) no .
C84 C87 2.753(11) no .
C85 C88 2.754(8) no .
C86 C89 2.769(8) no .
F1 C9 3.268(4) no .
F1 C10 3.560(4) no .
F1 C34 3.181(4) no 4_564
F1 C67 3.439(5) no 2_655
F2 C3 3.440(4) no 4_574
F2 C20 3.563(5) no 1_554
F3 C3 3.315(4) no 4_574
F3 C4 3.130(4) no 4_574
F3 C10 3.393(5) no .
F3 C94 3.412(7) no .
F4 C20 3.400(4) no 1_554
F4 C21 3.267(5) no 1_554
F4 C33 3.083(4) no 4_564
F4 C34 3.288(4) no 4_564
F5 F5 2.584(18) no 2_655
F5 F7 2.275(18) no 2_655
F5 B2 2.902(17) no 2_655
F7 F5 2.275(18) no 2_655
F7 B2 3.467(16) no 2_655
O98 C49 3.435(9) no 4_564
O98 C63 3.229(8) no 2_655
C3 F2 3.440(4) no 4_575
C3 F3 3.315(4) no 4_575
C4 F3 3.130(4) no 4_575
C9 F1 3.268(4) no .
C10 F1 3.560(4) no .
C10 F3 3.393(5) no .
C20 F2 3.563(5) no 1_556
C20 F4 3.400(4) no 1_556
C21 F4 3.267(5) no 1_556
C33 F4 3.083(4) no 4_565
C34 F1 3.181(4) no 4_565
C34 F4 3.288(4) no 4_565
C44 C75 3.519(6) no 2_655
C49 O98 3.435(9) no 4_565
C63 O98 3.229(8) no 2_655
C67 F1 3.439(5) no 2_655
C75 C44 3.519(6) no 2_655
C94 F3 3.412(7) no .
B2 F5 2.902(17) no 2_655
B2 F7 3.467(16) no 2_655
Ag1 H13A 2.8761 no .
Ag1 H16C 3.0212 no .
Ag1 H25B 3.3159 no .
Ag1 H28A 2.8042 no .
Ag1 H44A 3.2698 no .
Ag1 H51B 3.2602 no .
Ag2 H71B 3.5015 no .
Ag2 H71B 3.5015 no 2_655
Ag2 H74A 2.6727 no .
Ag2 H74A 2.6727 no 2_655
Ag2 H90A 3.4241 no .
Ag2 H90A 3.4241 no 2_655
O93 H95A 3.0415 no .
O93 H95B 2.8346 no .
O93 H96A 2.9365 no .
O93 H96B 3.0863 no .
O98 H10A 3.0130 no .
O98 H10B 3.1113 no .
O98 H10C 2.7527 no .
O98 H10D 3.1246 no .
N2 H4 3.1046 no .
N2 H12 2.4029 no .
N2 H13A 3.4800 no .
N2 H15 2.4012 no .
N2 H16C 3.3279 no .
N2 H24 3.4426 no .
N2 H27 3.5261 no .
N5 H3 3.1103 no .
N5 H12 3.4599 no .
N5 H15 3.5574 no .
N5 H24 2.3810 no .
N5 H25B 3.5531 no .
N5 H27 2.4209 no .
N5 H28A 3.5460 no .
N32 H34 3.1116 no .
N32 H42A 2.9363 no .
N32 H42B 2.7169 no .
N32 H44A 3.1309 no .
N32 H44B 2.5940 no .
N35 H33 3.1130 no .
N35 H51B 2.9463 no .
N35 H51C 2.7360 no .
N35 H53A 2.9469 no .
N35 H53B 2.7014 no .
N62 H63 3.1103 no 2_655
N62 H70 2.3825 no .
N62 H70 3.3820 no 2_655
N62 H73 2.4608 no .
N62 H74A 3.1929 no .
N82 H83 3.1025 no 2_655
N82 H90A 2.9230 no .
N82 H90C 2.7014 no .
N82 H92B 2.7980 no .
N82 H92C 2.8035 no .
C1 H3 3.1756 no .
C1 H4 3.1669 no .
C1 H12 2.8895 no .
C1 H13A 3.2121 no .
C1 H15 3.0326 no .
C1 H16C 3.1510 no .
C1 H24 2.9442 no .
C1 H25B 3.4343 no .
C1 H27 2.8825 no .
C1 H28A 3.3020 no .
C3 H12 2.8415 no .
C3 H15 2.7410 no .
C3 H24 3.3358 no .
C3 H27 3.5973 no .
C4 H12 3.4553 no .
C4 H15 3.4383 no .
C4 H24 2.6898 no .
C4 H27 2.9682 no .
C6 H3 2.8464 no .
C6 H8 3.2343 no .
C6 H10 3.2425 no .
C6 H12 2.5945 no .
C6 H13A 3.3706 no .
C6 H15 2.5840 no .
C6 H16C 3.2582 no .
C7 H3 3.5949 no .
C7 H9 3.2683 no .
C7 H13A 2.7164 no .
C7 H13B 2.6885 no .
C7 H13C 3.3497 no .
C7 H14A 2.6992 no .
C7 H14B 2.7110 no .
C7 H14C 3.3511 no .
C7 H44A 3.4592 no .
C8 H10 3.2433 no .
C8 H12 3.3247 no .
C8 H13A 3.5138 no .
C8 H13B 2.9137 no .
C8 H14A 2.7270 no .
C8 H14B 3.2372 no .
C8 H44A 3.2260 no .
C9 H40 3.5540 no .
C9 H44A 3.3234 no .
C10 H8 3.2413 no .
C10 H15 3.3193 no .
C10 H16B 3.0432 no .
C10 H16C 3.5062 no .
C10 H17A 3.1523 no .
C10 H17B 2.7997 no .
C10 H40 3.3274 no .
C11 H3 3.5389 no .
C11 H9 3.2692 no .
C11 H16A 3.3414 no .
C11 H16B 2.7383 no .
C11 H16C 2.6535 no .
C11 H17A 2.6822 no .
C11 H17B 2.7564 no .
C11 H17C 3.3536 no .
C12 H8 2.6866 no .
C13 H8 3.1279 no .
C13 H14A 2.7036 no .
C13 H14B 3.3340 no .
C13 H14C 2.6405 no .
C13 H25B 3.3115 no .
C13 H25C 3.5411 no .
C13 H53B 3.5301 no .
C14 H8 2.7966 no .
C14 H13A 3.3324 no .
C14 H13B 2.7146 no .
C14 H13C 2.6320 no .
C15 H10 2.6998 no .
C16 H10 3.2212 no .
C16 H17A 3.3150 no .
C16 H17B 2.6627 no .
C16 H17C 2.6543 no .
C16 H28A 3.5764 no .
C16 H28C 3.4709 no .
C17 H10 2.7973 no .
C17 H16A 2.6541 no .
C17 H16B 2.6681 no .
C17 H16C 3.3130 no .
C18 H4 2.8396 no .
C18 H20 3.2334 no .
C18 H22 3.2356 no .
C18 H24 2.5926 no .
C18 H25B 3.3709 no .
C18 H26A 3.5754 no .
C18 H27 2.5901 no .
C18 H28A 3.3654 no .
C18 H29A 3.5867 no .
C19 H4 3.4759 no .
C19 H21 3.2577 no .
C19 H25A 2.7166 no .
C19 H25B 2.6615 no .
C19 H25C 3.3417 no .
C19 H26A 2.6559 no .
C19 H26B 2.7389 no .
C19 H26C 3.3445 no .
C20 H22 3.2448 no .
C20 H24 3.3259 no .
C20 H25A 2.9026 no .
C20 H25B 3.3904 no .
C20 H26A 3.2138 no .
C20 H26B 2.8171 no .
C20 H47 3.3143 no .
C21 H47 3.4260 no .
C21 H51A 3.3595 no .
C21 H51B 3.5260 no .
C22 H20 3.2450 no .
C22 H27 3.3089 no .
C22 H28A 3.4097 no .
C22 H28B 2.9289 no .
C22 H29A 3.1403 no .
C22 H29C 2.8198 no .
C22 H51A 3.5381 no .
C22 H51B 3.2639 no .
C23 H21 3.2704 no .
C23 H28A 2.6695 no .
C23 H28B 2.7397 no .
C23 H28C 3.3477 no .
C23 H29A 2.6458 no .
C23 H29B 3.3476 no .
C23 H29C 2.7772 no .
C23 H51B 3.4668 no .
C24 H20 2.6838 no .
C25 H13A 3.4435 no .
C25 H13C 3.4431 no .
C25 H20 3.0644 no .
C25 H26A 3.3445 no .
C25 H26B 2.6818 no .
C25 H26C 2.7087 no .
C26 H20 2.8560 no .
C26 H25A 2.7002 no .
C26 H25B 3.3436 no .
C26 H25C 2.6928 no .
C27 H22 2.6641 no .
C28 H16C 3.3171 no .
C28 H22 3.0765 no .
C28 H29A 3.3600 no .
C28 H29B 2.7428 no .
C28 H29C 2.6778 no .
C28 H42B 3.4199 no .
C28 H51B 3.4144 no .
C29 H22 2.8171 no .
C29 H28A 3.3613 no .
C29 H28B 2.7090 no .
C29 H28C 2.7096 no .
C31 H33 3.1657 no .
C31 H34 3.1659 no .
C31 H42B 3.1644 no .
C31 H44A 3.1648 no .
C31 H44B 3.0508 no .
C31 H51B 3.0219 no .
C31 H51C 3.3268 no .
C31 H53B 3.0567 no .
C33 H42A 2.9967 no .
C33 H42B 3.3332 no .
C33 H44B 3.0609 no .
C34 H51C 3.1207 no .
C34 H53A 3.0578 no .
C34 H53B 3.3599 no .
C36 H16C 3.4607 no .
C36 H33 2.7840 no .
C36 H38 3.2330 no .
C36 H40 3.2389 no .
C36 H42A 2.8402 no .
C36 H42B 2.7115 no .
C36 H42C 3.3107 no .
C36 H44A 2.9204 no .
C36 H44B 2.6730 no .
C36 H44C 3.2953 no .
C37 H16B 3.5309 no .
C37 H16C 3.4137 no .
C37 H33 3.3483 no .
C38 H16B 2.9911 no .
C38 H16C 3.5144 no .
C38 H40 3.2041 no .
C38 H42A 3.1088 no .
C38 H42B 3.2172 no .
C38 H42C 2.6058 no .
C38 H43A 2.9557 no .
C38 H43B 2.5986 no .
C38 H43C 3.2422 no .
C39 H16B 2.7404 no .
C40 H10 3.4670 no .
C40 H16B 3.0474 no .
C40 H38 3.2005 no .
C40 H43A 2.9349 no .
C40 H43B 3.2486 no .
C40 H43C 2.6084 no .
C40 H44A 2.9767 no .
C40 H44B 3.2202 no .
C40 H44C 2.5555 no .
C41 H16B 3.5867 no .
C42 H33 3.4619 no .
C42 H38 2.6972 no .
C43 H16B 3.2032 no .
C43 H38 2.6351 no .
C43 H40 2.6410 no .
C44 H40 2.6227 no .
C45 H25B 3.4829 no .
C45 H34 2.8034 no .
C45 H47 3.2400 no .
C45 H49 3.2202 no .
C45 H51A 3.3258 no .
C45 H51B 2.8415 no .
C45 H51C 2.7458 no .
C45 H53A 2.8478 no .
C45 H53B 2.7075 no .
C45 H53C 3.2996 no .
C46 H25B 3.5940 no .
C47 H20 3.5258 no .
C47 H25A 3.1683 no .
C47 H25B 3.5001 no .
C47 H49 3.2326 no .
C47 H51A 2.5438 no .
C47 H51B 3.0782 no .
C47 H51C 3.1641 no .
C47 H52A 2.6214 no .
C47 H52B 2.9399 no .
C47 H52C 3.2673 no .
C48 H25A 2.7965 no .
C48 H25B 3.3553 no .
C49 H25A 3.1831 no .
C49 H25B 3.2344 no .
C49 H47 3.2335 no .
C49 H52A 3.2587 no .
C49 H52B 2.9821 no .
C49 H52C 2.6120 no .
C49 H53A 3.0822 no .
C49 H53B 3.1935 no .
C49 H53C 2.5684 no .
C50 H25B 3.3212 no .
C50 H34 3.3974 no .
C51 H47 2.6422 no .
C52 H25A 3.0448 no .
C52 H47 2.6543 no .
C52 H49 2.6643 no .
C53 H34 3.5613 no .
C53 H49 2.6628 no .
C61 H63 3.1710 no .
C61 H63 3.1710 no 2_655
C61 H70 2.8844 no .
C61 H70 2.8844 no 2_655
C61 H73 3.0671 no .
C61 H73 3.0671 no 2_655
C61 H74A 2.9123 no .
C61 H74A 2.9123 no 2_655
C63 H70 2.7354 no .
C63 H70 3.3294 no 2_655
C63 H73 2.8916 no .
C64 H63 2.8330 no .
C64 H66 3.2386 no .
C64 H68 3.2473 no .
C64 H70 2.5809 no .
C64 H71B 3.5007 no .
C64 H72A 3.4795 no .
C64 H73 2.6162 no .
C64 H74A 3.2401 no .
C65 H63 3.5064 no .
C65 H67 3.2697 no .
C65 H71A 2.7153 no .
C65 H71B 2.6844 no .
C65 H71C 3.3465 no .
C65 H72A 2.6888 no .
C65 H72B 2.6883 no .
C65 H72C 3.3388 no .
C66 H68 3.2511 no .
C66 H70 3.3283 no .
C66 H71A 2.8290 no .
C66 H71B 3.3369 no .
C66 H72A 3.3676 no .
C66 H72B 2.8098 no .
C66 H91B 3.5016 no .
C67 H88 3.4502 no .
C68 H66 3.2517 no .
C68 H73 3.3042 no .
C68 H74B 3.0496 no .
C68 H75B 2.8028 no .
C68 H75C 3.0069 no .
C69 H67 3.2720 no .
C69 H74A 2.7138 no .
C69 H74B 2.6912 no .
C69 H74C 3.3514 no .
C69 H75A 3.3680 no .
C69 H75B 2.8045 no .
C69 H75C 2.6762 no .
C70 H66 2.6833 no .
C71 H66 2.9435 no .
C71 H72A 3.3436 no .
C71 H72B 2.7304 no .
C71 H72C 2.6615 no .
C71 H74A 3.4491 no 2_655
C71 H74C 3.4933 no 2_655
C71 H86 3.3521 no .
C72 H66 2.9740 no .
C72 H71A 2.7147 no .
C72 H71B 3.3431 no .
C72 H71C 2.6797 no .
C73 H68 2.6877 no .
C74 H68 3.3069 no .
C74 H71B 3.3380 no 2_655
C74 H75A 2.7126 no .
C74 H75B 2.6382 no .
C74 H75C 3.3374 no .
C74 H90A 3.0324 no 2_655
C75 H68 2.6832 no .
C75 H74A 3.3364 no .
C75 H74B 2.7266 no .
C75 H74C 2.6254 no .
C81 H83 3.1628 no .
C81 H83 3.1628 no 2_655
C81 H90A 3.0675 no .
C81 H90A 3.0675 no 2_655
C81 H90C 3.3607 no .
C81 H90C 3.3607 no 2_655
C81 H92B 3.0627 no .
C81 H92B 3.0627 no 2_655
C81 H92C 3.5984 no .
C81 H92C 3.5984 no 2_655
C83 H90C 3.0119 no .
C83 H92B 3.5466 no .
C83 H92C 2.9915 no .
C84 H83 2.8005 no .
C84 H86 3.2311 no .
C84 H88 3.1967 no .
C84 H90A 2.8328 no .
C84 H90B 3.3248 no .
C84 H90C 2.7375 no .
C84 H92A 3.2990 no .
C84 H92B 2.7564 no .
C84 H92C 2.7682 no .
C85 H71B 3.0359 no .
C85 H83 3.5441 no .
C86 H71A 2.9662 no .
C86 H71B 2.9854 no .
C86 H88 3.2077 no .
C86 H90A 3.0891 no .
C86 H90B 2.5737 no .
C86 H90C 3.1797 no .
C86 H91A 2.6707 no .
C86 H91B 2.8547 no .
C86 H91C 3.2878 no .
C87 H66 3.4689 no .
C87 H71A 3.1535 no .
C87 H71B 3.5850 no .
C88 H86 3.2098 no .
C88 H91A 3.2271 no .
C88 H91B 3.0458 no .
C88 H91C 2.6013 no .
C88 H92A 2.5852 no .
C88 H92B 3.1520 no .
C88 H92C 3.1451 no .
C89 H83 3.4729 no .
C90 H71B 3.3595 no .
C90 H74A 3.5205 no 2_655
C90 H86 2.6637 no .
C91 H66 3.3778 no .
C91 H71A 3.3339 no .
C91 H86 2.6410 no .
C91 H88 2.6670 no .
C92 H88 2.6707 no .
C94 H96A 2.8161 no .
C94 H96B 3.0276 no .
C94 H97A 2.8918 no .
C94 H97B 2.9267 no .
C95 H97A 2.8383 no .
C95 H97B 2.9962 no .
C96 H94A 3.0261 no .
C96 H94B 2.8155 no .
C97 H94A 2.9632 no .
C97 H94B 2.8516 no .
C97 H95A 3.0287 no .
C97 H95B 2.7991 no .
C99 H10C 2.7583 no .
C99 H10D 3.0584 no .
C99 H10E 2.7929 no .
C99 H10F 3.0882 no .
C100 H10E 2.8128 no .
C100 H10F 3.1724 no .
C101 H99A 2.8720 no .
C101 H99B 2.9795 no .
C102 H10A 2.8657 no .
C102 H10B 3.1482 no .
C102 H99A 3.0153 no .
C102 H99B 2.8937 no .
H3 H4 2.4721 no .
H3 H12 3.1888 no .
H3 H15 3.0040 no .
H4 H24 2.9825 no .
H4 H26A 3.5650 no .
H4 H27 3.3356 no .
H8 H9 2.3148 no .
H8 H13B 2.6348 no .
H8 H14A 2.2246 no .
H8 H14B 3.1583 no .
H8 H44A 3.5301 no .
H9 H10 2.3094 no .
H9 H40 3.4458 no .
H9 H44C 3.5490 no .
H10 H16B 2.7896 no .
H10 H17A 3.0498 no .
H10 H17B 2.2840 no .
H10 H40 3.0412 no .
H10 H43C 3.2642 no .
H10A H10C 2.7758 no .
H10A H10D 2.1826 no .
H10A H10E 3.0022 no .
H10A H99A 2.7114 no .
H10A H99B 2.1432 no .
H10B H10C 2.1743 no .
H10B H10D 2.5637 no .
H10B H99A 2.1390 no .
H10B H99B 2.6339 no .
H10C H10E 2.7878 no .
H10C H10F 2.1851 no .
H10C H99A 3.0883 no .
H10D H10E 2.1906 no .
H10D H10F 2.5128 no .
H10E H99B 3.1125 no .
H12 H13A 2.3396 no .
H12 H13B 2.8616 no .
H12 H13C 2.3757 no .
H12 H14A 2.8594 no .
H12 H14B 2.3443 no .
H12 H14C 2.3657 no .
H12 H24 2.9105 no .
H12 H25B 3.5711 no .
H13A H14C 3.5211 no .
H13A H25B 2.7123 no .
H13A H25C 3.3689 no .
H13A H44A 3.2528 no .
H13A H53B 2.9629 no .
H13B H14A 2.5660 no .
H13B H14C 2.9714 no .
H13B H44A 3.3032 no .
H13B H53B 3.3736 no .
H13C H14A 2.9424 no .
H13C H14B 3.5210 no .
H13C H14C 2.4095 no .
H13C H25B 3.0875 no .
H13C H25C 2.9204 no .
H15 H16A 2.3129 no .
H15 H16B 2.8405 no .
H15 H16C 2.3442 no .
H15 H17A 2.3374 no .
H15 H17B 2.8328 no .
H15 H17C 2.3015 no .
H15 H27 3.1862 no .
H16A H17A 3.5468 no .
H16A H17B 2.9446 no .
H16A H17C 2.4648 no .
H16A H27 3.5067 no .
H16A H28A 3.5034 no .
H16A H28C 2.9645 no .
H16B H17A 3.5614 no .
H16B H17B 2.4890 no .
H16B H17C 2.9532 no .
H16B H38 3.3397 no .
H16B H40 3.4118 no .
H16B H43B 3.1267 no .
H16B H43C 3.1284 no .
H16C H17B 3.5568 no .
H16C H17C 3.5436 no .
H16C H27 3.3616 no .
H16C H28A 2.7945 no .
H16C H28C 3.0646 no .
H20 H21 2.2985 no .
H20 H25A 2.5748 no .
H20 H25B 3.5020 no .
H20 H26A 3.1711 no .
H20 H26B 2.3383 no .
H20 H47 3.1058 no .
H20 H52A 3.2477 no .
H21 H22 2.3295 no .
H21 H47 3.3032 no .
H21 H51A 3.3092 no .
H22 H28A 3.5197 no .
H22 H28B 2.6017 no .
H22 H29A 3.0867 no .
H22 H29C 2.3258 no .
H22 H51B 3.4722 no .
H24 H25A 2.8544 no .
H24 H25B 2.3552 no .
H24 H25C 2.3391 no .
H24 H26A 2.3640 no .
H24 H26B 2.8497 no .
H24 H26C 2.3213 no .
H25A H26A 3.5825 no .
H25A H26B 2.5102 no .
H25A H26C 3.0111 no .
H25A H47 3.4350 no .
H25A H49 3.4641 no .
H25A H52A 2.8705 no .
H25A H52C 2.9497 no .
H25B H26B 3.5767 no .
H25B H26C 3.5928 no .
H25C H26A 3.5902 no .
H25C H26B 2.9596 no .
H25C H26C 2.5311 no .
H27 H28A 2.3672 no .
H27 H28B 2.8592 no .
H27 H28C 2.3385 no .
H27 H29A 2.3941 no .
H27 H29B 2.3163 no .
H27 H29C 2.8585 no .
H28A H29C 3.5764 no .
H28A H42B 2.8849 no .
H28A H51B 2.8858 no .
H28B H29A 3.5821 no .
H28B H29B 3.0447 no .
H28B H29C 2.4997 no .
H28B H42B 3.3870 no .
H28B H51B 3.1259 no .
H28C H29B 2.5703 no .
H28C H29C 2.9483 no .
H28C H42B 3.4520 no .
H33 H34 2.4752 no .
H33 H42A 2.8957 no .
H33 H44B 3.3960 no .
H34 H51C 3.3441 no .
H34 H53A 3.0242 no .
H38 H42A 3.2583 no .
H38 H42B 3.4422 no .
H38 H42C 2.4007 no .
H38 H43A 3.0214 no .
H38 H43B 2.4073 no .
H38 H43C 3.4884 no .
H40 H43A 3.0018 no .
H40 H43B 3.5050 no .
H40 H43C 2.4300 no .
H40 H44A 3.0633 no .
H40 H44B 3.4516 no .
H40 H44C 2.3468 no .
H42B H51B 3.5314 no .
H44A H53B 3.4674 no .
H44B H53B 3.1845 no .
H47 H51A 2.3216 no .
H47 H51B 3.2279 no .
H47 H51C 3.3732 no .
H47 H52A 2.4462 no .
H47 H52B 3.0040 no .
H47 H52C 3.5229 no .
H49 H52A 3.5085 no .
H49 H52B 3.0675 no .
H49 H52C 2.4261 no .
H49 H53A 3.2234 no .
H49 H53B 3.4115 no .
H49 H53C 2.3531 no .
H63 H63 2.4737 no 2_655
H63 H70 3.0745 no .
H63 H72A 3.3404 no .
H63 H73 3.1598 no .
H66 H67 2.3064 no .
H66 H71A 2.4111 no .
H66 H71B 3.3556 no .
H66 H72A 3.4287 no .
H66 H72B 2.4354 no .
H66 H91B 2.7020 no .
H66 H91C 3.5957 no .
H67 H68 2.3282 no .
H67 H88 3.1614 no .
H68 H73 3.5881 no .
H68 H74B 2.8898 no .
H68 H75B 2.2334 no .
H68 H75C 2.8033 no .
H70 H71A 2.8533 no .
H70 H71B 2.3445 no .
H70 H71C 2.3461 no .
H70 H72A 2.3245 no .
H70 H72B 2.8475 no .
H70 H72C 2.3523 no .
H70 H73 3.0875 no 2_655
H70 H74A 3.3916 no 2_655
H71A H72B 2.5781 no .
H71A H72C 2.9608 no .
H71A H86 2.8710 no .
H71A H91B 2.6850 no .
H71B H72C 3.5509 no .
H71B H74A 2.7248 no 2_655
H71B H74C 3.0669 no 2_655
H71B H86 3.0796 no .
H71B H90A 2.9826 no .
H71B H90B 3.4936 no .
H71C H72A 3.5561 no .
H71C H72B 3.0115 no .
H71C H72C 2.4661 no .
H71C H74A 3.4754 no 2_655
H71C H74C 3.0708 no 2_655
H73 H74A 2.3338 no .
H73 H74B 2.8597 no .
H73 H74C 2.3751 no .
H73 H75A 2.3107 no .
H73 H75B 2.8574 no .
H73 H75C 2.4010 no .
H74A H75A 3.5696 no .
H74A H75B 3.5620 no .
H74A H90A 2.5762 no 2_655
H74A H92B 3.4845 no .
H74B H75A 3.0863 no .
H74B H75B 2.5102 no .
H74B H75C 3.5879 no .
H74B H90A 2.9442 no 2_655
H74B H92B 3.0099 no .
H74C H75A 2.4815 no .
H74C H75B 2.8257 no .
H74C H75C 3.5473 no .
H74C H90A 3.0821 no 2_655
H83 H83 2.4470 no 2_655
H83 H90C 3.1755 no .
H83 H92C 3.0676 no .
H86 H90A 3.2515 no .
H86 H90B 2.3572 no .
H86 H90C 3.3900 no .
H86 H91A 2.5297 no .
H86 H91B 2.8575 no .
H86 H91C 3.5519 no .
H88 H91A 3.4560 no .
H88 H91B 3.1674 no .
H88 H91C 2.3917 no .
H88 H92A 2.3610 no .
H88 H92B 3.3357 no .
H88 H92C 3.3264 no .
H90A H92B 3.2756 no 2_655
H94A H95A 2.5017 no .
H94A H95B 2.0578 no .
H94A H97A 3.3966 no .
H94B H95A 2.0562 no .
H94B H95B 2.6707 no .
H94B H96A 3.0685 no .
H94B H97B 3.2969 no .
H95A H96A 2.1260 no .
H95A H96B 2.5578 no .
H95A H97B 3.5959 no .
H95B H96A 2.7243 no .
H95B H96B 2.1214 no .
H95B H97A 3.0946 no .
H96A H97A 2.7328 no .
H96A H97B 2.1532 no .
H96B H97A 2.1492 no .
H96B H97B 2.6164 no .
F1 H9 2.5295 no .
F1 H10 3.1224 no .
F1 H34 2.2966 no 4_564
F1 H40 2.6610 no .
F1 H43C 3.3768 no .
F1 H67 2.5739 no 2_655
F2 H3 2.6549 no 4_574
F2 H9 3.5027 no .
F2 H20 2.6653 no 1_554
F2 H26B 3.2531 no 1_554
F2 H52A 2.9662 no 1_554
F2 H67 3.1579 no 2_655
F2 H88 3.3606 no 2_655
F2 H91C 3.3102 no 2_655
F3 H3 2.9065 no 4_574
F3 H4 2.4955 no 4_574
F3 H9 3.3274 no .
F3 H10 2.5729 no .
F3 H17B 3.5806 no .
F3 H43C 2.9671 no .
F3 H94A 2.6786 no .
F3 H94B 3.5633 no .
F3 H95B 3.2210 no .
F4 H20 2.8424 no 1_554
F4 H21 2.5706 no 1_554
F4 H33 2.4344 no 4_564
F4 H34 2.8918 no 4_564
F4 H43C 3.4434 no .
F4 H47 2.9456 no 1_554
F4 H52A 3.1345 no 1_554
F4 H94A 2.9139 no .
O93 H21 3.1654 no 1_554
O93 H22 3.1780 no 1_554
O93 H22 2.9411 no 7_666
O93 H28B 2.7343 no 7_666
O93 H29C 3.1226 no 7_666
O98 H49 2.6089 no 4_564
O98 H53C 2.7690 no 4_564
O98 H63 2.2858 no 2_655
C3 H95B 3.2688 no 4_575
C4 H95B 3.3158 no 4_575
C6 H26A 2.9032 no 4_574
C7 H26A 2.9933 no 4_574
C8 H26A 3.0476 no 4_574
C8 H26C 3.4460 no 4_574
C8 H68 3.2279 no 2_655
C8 H74B 3.4654 no 2_655
C8 H92A 3.2953 no 2_655
C9 H26A 3.0539 no 4_574
C9 H68 3.2456 no 2_655
C9 H92A 3.4639 no 2_655
C10 H4 3.2922 no 4_574
C10 H26A 2.9888 no 4_574
C11 H26A 2.9230 no 4_574
C13 H10B 3.4128 no 4_565
C13 H74B 3.4188 no 2_655
C13 H74C 3.5830 no 2_655
C13 H75B 3.4695 no 2_655
C13 H99A 3.1962 no 4_565
C14 H74B 3.5266 no 2_655
C15 H96B 3.5347 no 4_575
C17 H4 3.3798 no 4_574
C17 H29A 3.0478 no 4_574
C17 H96B 3.3815 no 4_575
C18 H17A 2.8868 no 4_575
C19 H17A 3.0571 no 4_575
C20 H17A 3.2680 no 4_575
C21 H17A 3.3555 no 4_575
C21 H94A 3.2058 no 1_556
C22 H17A 3.2306 no 4_575
C22 H97A 3.2755 no 1_556
C22 H97B 3.5537 no 7_666
C23 H17A 3.0011 no 4_575
C25 H10C 3.2397 no 4_565
C26 H14B 3.2557 no 4_575
C26 H91C 3.1547 no 2_656
C27 H95A 3.5663 no 4_575
C28 H43B 3.3444 no 7_666
C28 H94B 3.1800 no 7_666
C29 H17C 3.4970 no 4_575
C29 H42A 3.2091 no 6_656
C29 H42C 3.4785 no 6_656
C29 H43A 3.4599 no 7_666
C29 H43B 3.5823 no 7_666
C29 H95A 3.1438 no 4_575
C29 H96A 3.4087 no 4_575
C29 H97A 3.4918 no 1_556
C33 H47 3.0945 no 4_564
C34 H40 3.3742 no 4_565
C38 H51C 3.4657 no 4_564
C38 H96A 3.5964 no 6_645
C38 H96B 3.5313 no 6_645
C39 H51C 3.0671 no 4_564
C40 H34 3.3446 no 4_564
C40 H51C 3.1019 no 4_564
C41 H51C 3.5295 no 4_564
C42 H29A 3.3504 no 6_646
C43 H28C 3.4145 no 7_666
C43 H29B 3.1953 no 7_666
C43 H51C 3.5720 no 4_564
C43 H94B 3.2841 no .
C44 H68 3.4585 no 2_655
C44 H75B 2.8575 no 2_655
C44 H75C 3.3448 no 2_655
C47 H33 3.2696 no 4_565
C47 H44B 3.1553 no 4_565
C48 H44B 3.1687 no 4_565
C48 H75C 3.1985 no 3_666
C49 H10F 3.4331 no 4_565
C49 H75C 2.9367 no 3_666
C51 H97B 3.0960 no 7_666
C52 H10F 3.4655 no 4_565
C52 H44B 3.4845 no 4_565
C52 H66 3.0402 no 2_656
C52 H75C 3.2062 no 3_666
C52 H91B 3.3476 no 2_656
C53 H75A 3.3763 no 2_655
C53 H99A 3.5398 no 4_565
C63 H10E 3.4617 no 2_655
C63 H99B 3.2978 no 2_655
C66 H52B 3.5267 no 2_656
C66 H52C 3.4769 no 2_656
C66 H53A 3.1769 no 3_666
C67 H9 3.5538 no 2_655
C67 H53A 2.9855 no 3_666
C68 H8 3.4042 no 2_655
C68 H9 3.4263 no 2_655
C68 H44C 3.4851 no 2_655
C68 H53A 3.4383 no 3_666
C70 H72C 3.1617 no 3_666
C71 H10E 3.5669 no 3_666
C71 H99B 3.2377 no 4_565
C72 H70 3.4105 no 3_666
C72 H72C 3.1508 no 3_666
C72 H73 3.1101 no 4_565
C72 H75A 2.9843 no 4_565
C72 H99B 3.5662 no 2_655
C73 H72B 3.5242 no 4_564
C73 H72C 3.5452 no 4_564
C74 H8 3.5371 no 2_655
C74 H13B 3.0621 no 2_655
C74 H14A 3.5152 no 2_655
C74 H99A 3.5642 no 3_665
C75 H13B 3.2163 no 2_655
C75 H44A 3.4254 no 2_655
C75 H44B 3.2636 no 2_655
C75 H44C 3.2833 no 2_655
C75 H49 3.5917 no 3_666
C75 H52B 3.3346 no 3_666
C75 H53B 3.5341 no 2_655
C75 H72A 3.5084 no 4_564
C75 H72B 3.1506 no 4_564
C83 H10A 3.4942 no 2_665
C83 H10D 3.3046 no 1_565
C83 H10D 2.9865 no 2_665
C85 H90B 3.4235 no 3_676
C85 H90C 3.1662 no 3_676
C86 H90C 2.9823 no 3_676
C87 H14B 3.2247 no 3_676
C87 H14C 3.5334 no 3_676
C88 H14B 3.2853 no 3_676
C88 H14C 3.2983 no 3_676
C90 H10B 3.5450 no 4_565
C90 H14A 3.4448 no .
C90 H14C 3.4450 no .
C90 H90C 3.4361 no 3_676
C91 H10C 3.3917 no 3_666
C91 H10D 3.5226 no 3_666
C91 H10F 2.9685 no 3_666
C91 H14B 3.1812 no 3_676
C91 H25A 3.5113 no 2_656
C91 H25C 3.5960 no 2_656
C91 H26B 3.3067 no 2_656
C91 H26C 3.4661 no 2_656
C91 H52C 3.3533 no 2_656
C92 H8 3.3499 no 2_655
C92 H14A 3.5667 no 2_655
C92 H26C 3.4197 no 3_676
C94 H21 3.1171 no 1_554
C94 H28B 3.0445 no 7_666
C94 H43C 3.4417 no .
C95 H27 3.4842 no 4_574
C95 H29B 3.5051 no 4_574
C96 H17C 3.4752 no 4_574
C96 H29B 3.2559 no 4_574
C96 H38 3.3332 no 6_655
C97 H22 3.3788 no 1_554
C97 H22 3.4000 no 7_666
C97 H28B 3.3372 no 7_666
C97 H51A 3.5787 no 7_666
C99 H13C 3.2667 no 4_564
C99 H53C 3.2118 no 4_564
C99 H63 2.9055 no 2_655
C99 H71C 3.1341 no 4_564
C99 H72A 3.2004 no 2_655
C99 H74C 3.2866 no 3_665
C100 H13C 3.1975 no 4_564
C100 H71C 3.5103 no 4_564
C100 H83 2.9235 no 2_645
C100 H90B 3.3493 no 4_564
C101 H13C 3.5955 no 4_564
C101 H25C 3.2410 no 4_564
C101 H83 2.9903 no 2_645
C101 H91A 3.0780 no 3_666
C101 H91B 3.4333 no 3_666
C102 H49 3.1588 no 4_564
C102 H52C 3.4830 no 4_564
C102 H63 3.0075 no 2_655
C102 H71A 3.5294 no 3_666
C102 H91A 3.3854 no 3_666
C102 H91B 3.0234 no 3_666
B1 H3 3.3241 no 4_574
B1 H9 3.2822 no .
B1 H10 3.3944 no .
B1 H20 3.2388 no 1_554
B1 H21 3.5171 no 1_554
B1 H34 3.1222 no 4_564
B1 H43C 3.4512 no .
B1 H52A 3.4084 no 1_554
B1 H67 3.3901 no 2_655
B1 H94A 3.3523 no .
H3 F2 2.6549 no 4_575
H3 F3 2.9065 no 4_575
H3 B1 3.3241 no 4_575
H3 H20 3.1663 no 4_574
H3 H26A 3.3492 no 4_574
H3 H26B 3.0146 no 4_574
H3 H95B 3.2178 no 4_575
H4 F3 2.4955 no 4_575
H4 C10 3.2922 no 4_575
H4 C17 3.3798 no 4_575
H4 H10 2.7736 no 4_575
H4 H17A 3.0295 no 4_575
H4 H17B 2.8347 no 4_575
H4 H95A 3.3853 no 4_575
H4 H95B 3.3047 no 4_575
H8 C68 3.4042 no 2_655
H8 C74 3.5371 no 2_655
H8 C92 3.3499 no 2_655
H8 H68 2.7514 no 2_655
H8 H74B 2.5860 no 2_655
H8 H75B 3.1879 no 2_655
H8 H92A 2.8315 no 2_655
H8 H92B 2.9890 no 2_655
H9 F1 2.5295 no .
H9 F2 3.5027 no .
H9 F3 3.3274 no .
H9 C67 3.5538 no 2_655
H9 C68 3.4263 no 2_655
H9 B1 3.2822 no .
H9 H67 3.0342 no 2_655
H9 H68 2.7872 no 2_655
H9 H92A 3.1583 no 2_655
H10 F1 3.1224 no .
H10 F3 2.5729 no .
H10 B1 3.3944 no .
H10 H4 2.7736 no 4_574
H10 H26A 3.5357 no 4_574
H10A C83 3.4942 no 2_645
H10A H10D 2.9926 no 2_655
H10A H10E 2.9296 no 2_655
H10A H71A 3.5834 no 4_564
H10A H71C 3.0816 no 4_564
H10A H83 2.5979 no 2_645
H10A H86 2.9612 no 4_564
H10A H90B 3.1131 no 4_564
H10B C13 3.4128 no 4_564
H10B C90 3.5450 no 4_564
H10B H13B 3.5354 no 4_564
H10B H13C 2.5411 no 4_564
H10B H14C 2.9827 no 4_564
H10B H74C 3.4014 no 3_665
H10B H83 2.8471 no 2_645
H10B H90A 3.5814 no 4_564
H10B H90B 2.6919 no 4_564
H10C C25 3.2397 no 4_564
H10C C91 3.3917 no 3_666
H10C H13C 3.0603 no 4_564
H10C H25A 3.4980 no 4_564
H10C H25C 2.3103 no 4_564
H10C H83 3.2485 no 2_645
H10C H91A 2.6878 no 3_666
H10C H91B 3.2508 no 3_666
H10C H92C 3.3582 no 2_645
H10D C83 3.3046 no 1_545
H10D C83 2.9865 no 2_645
H10D C91 3.5226 no 3_666
H10D H10A 2.9926 no 2_655
H10D H10D 3.3874 no 2_655
H10D H83 3.0725 no 1_545
H10D H83 2.4127 no 2_645
H10D H86 3.1372 no 3_666
H10D H91A 2.8195 no 3_666
H10D H91B 3.3930 no 3_666
H10E C63 3.4617 no 2_655
H10E C71 3.5669 no 3_666
H10E H10A 2.9296 no 2_655
H10E H63 2.7202 no 2_655
H10E H71A 2.9615 no 3_666
H10E H71C 3.2629 no 3_666
H10E H91B 3.2388 no 3_666
H10E H99B 3.3642 no 2_655
H10F C49 3.4331 no 4_564
H10F C52 3.4655 no 4_564
H10F C91 2.9685 no 3_666
H10F H25A 3.4429 no 4_564
H10F H25C 3.2219 no 4_564
H10F H49 2.7321 no 4_564
H10F H52C 2.5501 no 4_564
H10F H71A 3.1790 no 3_666
H10F H91A 2.8893 no 3_666
H10F H91B 2.2249 no 3_666
H10F H91C 3.5329 no 3_666
H13A H75B 3.5980 no 2_655
H13A H99A 3.5581 no 4_565
H13B C74 3.0621 no 2_655
H13B C75 3.2163 no 2_655
H13B H10B 3.5354 no 4_565
H13B H74B 2.5457 no 2_655
H13B H74C 2.7887 no 2_655
H13B H75A 3.1383 no 2_655
H13B H75B 2.5708 no 2_655
H13B H99A 3.0048 no 4_565
H13C C99 3.2667 no 4_565
H13C C100 3.1975 no 4_565
H13C C101 3.5955 no 4_565
H13C H10B 2.5411 no 4_565
H13C H10C 3.0603 no 4_565
H13C H74C 3.5273 no 2_655
H13C H99A 2.5984 no 4_565
H14A C74 3.5152 no 2_655
H14A C90 3.4448 no .
H14A C92 3.5667 no 2_655
H14A H26C 3.5813 no 4_574
H14A H74B 2.6840 no 2_655
H14A H90A 3.0432 no .
H14A H90B 3.4273 no .
H14A H90C 3.3027 no .
H14A H92A 3.5560 no 2_655
H14A H92B 2.9817 no 2_655
H14B C26 3.2557 no 4_574
H14B C87 3.2247 no 3_676
H14B C88 3.2853 no 3_676
H14B C91 3.1812 no 3_676
H14B H26A 3.3951 no 4_574
H14B H26B 2.9934 no 4_574
H14B H26C 2.8601 no 4_574
H14B H88 3.1847 no 3_676
H14B H91A 3.0886 no 3_676
H14B H91C 2.7979 no 3_676
H14C C87 3.5334 no 3_676
H14C C88 3.2983 no 3_676
H14C C90 3.4450 no .
H14C H10B 2.9827 no 4_565
H14C H88 3.4417 no 3_676
H14C H90A 3.4271 no .
H14C H90B 3.0194 no .
H14C H90C 3.3297 no .
H15 H95B 2.8382 no 4_575
H15 H96B 3.0141 no 4_575
H16A H38 3.1005 no 7_666
H16A H96B 3.0622 no 4_575
H17A C18 2.8868 no 4_574
H17A C19 3.0571 no 4_574
H17A C20 3.2680 no 4_574
H17A C21 3.3555 no 4_574
H17A C22 3.2306 no 4_574
H17A C23 3.0011 no 4_574
H17A H4 3.0295 no 4_574
H17A H26A 3.2192 no 4_574
H17A H29A 3.0559 no 4_574
H17B F3 3.5806 no .
H17B H4 2.8347 no 4_574
H17B H29A 2.9926 no 4_574
H17B H95A 3.2430 no .
H17C C29 3.4970 no 4_574
H17C C96 3.4752 no 4_575
H17C H29A 2.5949 no 4_574
H17C H42C 3.0210 no 7_666
H17C H95B 3.5075 no 4_575
H17C H96B 2.6043 no 4_575
H17C H97A 3.2026 no 4_575
H20 F2 2.6653 no 1_556
H20 F4 2.8424 no 1_556
H20 B1 3.2388 no 1_556
H20 H3 3.1663 no 4_575
H21 F4 2.5706 no 1_556
H21 O93 3.1654 no 1_556
H21 C94 3.1171 no 1_556
H21 B1 3.5171 no 1_556
H21 H94A 2.3937 no 1_556
H21 H95B 3.2807 no 1_556
H22 O93 3.1780 no 1_556
H22 O93 2.9411 no 7_666
H22 C97 3.3788 no 1_556
H22 C97 3.4000 no 7_666
H22 H97A 2.6993 no 1_556
H22 H97B 2.9476 no 7_666
H25A C91 3.5113 no 2_656
H25A H10C 3.4980 no 4_565
H25A H10F 3.4429 no 4_565
H25A H91A 3.5271 no 2_656
H25A H91B 3.3657 no 2_656
H25A H91C 3.0774 no 2_656
H25C C91 3.5960 no 2_656
H25C C101 3.2410 no 4_565
H25C H10C 2.3103 no 4_565
H25C H10F 3.2219 no 4_565
H25C H91A 3.1733 no 2_656
H25C H91B 3.5884 no 2_656
H25C H91C 3.4499 no 2_656
H26A C6 2.9032 no 4_575
H26A C7 2.9933 no 4_575
H26A C8 3.0476 no 4_575
H26A C9 3.0539 no 4_575
H26A C10 2.9888 no 4_575
H26A C11 2.9230 no 4_575
H26A H3 3.3492 no 4_575
H26A H10 3.5357 no 4_575
H26A H14B 3.3951 no 4_575
H26A H17A 3.2192 no 4_575
H26B F2 3.2531 no 1_556
H26B C91 3.3067 no 2_656
H26B H3 3.0146 no 4_575
H26B H14B 2.9934 no 4_575
H26B H91A 3.3267 no 2_656
H26B H91C 2.4811 no 2_656
H26C C8 3.4460 no 4_575
H26C C91 3.4661 no 2_656
H26C C92 3.4197 no 3_676
H26C H14A 3.5813 no 4_575
H26C H14B 2.8601 no 4_575
H26C H91A 3.0236 no 2_656
H26C H91C 2.9955 no 2_656
H26C H92A 2.9540 no 3_676
H26C H92C 3.0303 no 3_676
H27 C95 3.4842 no 4_575
H27 H95A 2.9825 no 4_575
H27 H95B 3.3047 no 4_575
H27 H96B 3.4972 no 4_575
H28B O93 2.7343 no 7_666
H28B C94 3.0445 no 7_666
H28B C97 3.3372 no 7_666
H28B H43B 3.4742 no 7_666
H28B H94B 2.4736 no 7_666
H28B H97B 3.0345 no 7_666
H28C C43 3.4145 no 7_666
H28C H43B 2.5010 no 7_666
H28C H94B 3.0275 no 7_666
H29A C17 3.0478 no 4_575
H29A C42 3.3504 no 6_656
H29A H17A 3.0559 no 4_575
H29A H17B 2.9926 no 4_575
H29A H17C 2.5949 no 4_575
H29A H42A 3.0340 no 6_656
H29A H42C 2.8540 no 6_656
H29A H95A 2.7169 no 4_575
H29A H96A 3.4690 no 4_575
H29A H97A 3.2956 no 1_556
H29B C43 3.1953 no 7_666
H29B C95 3.5051 no 4_575
H29B C96 3.2559 no 4_575
H29B H42A 3.0580 no 6_656
H29B H42C 3.5133 no 6_656
H29B H43A 2.6432 no 7_666
H29B H43B 2.8597 no 7_666
H29B H95A 2.8843 no 4_575
H29B H96A 2.5873 no 4_575
H29B H96B 3.3705 no 4_575
H29C O93 3.1226 no 7_666
H29C H42A 2.9885 no 6_656
H29C H42C 3.5493 no 6_656
H29C H43A 3.4413 no 7_666
H29C H94B 3.4262 no 7_666
H29C H97A 2.8106 no 1_556
H33 F4 2.4344 no 4_565
H33 C47 3.2696 no 4_564
H33 H47 2.4537 no 4_564
H33 H51A 3.2131 no 4_564
H34 F1 2.2966 no 4_565
H34 F4 2.8918 no 4_565
H34 C40 3.3446 no 4_565
H34 B1 3.1222 no 4_565
H34 H40 2.6351 no 4_565
H34 H43A 3.5117 no 4_565
H34 H43C 3.5369 no 4_565
H34 H44C 3.5829 no 4_565
H38 C96 3.3332 no 6_645
H38 H16A 3.1005 no 7_666
H38 H96A 3.1197 no 6_645
H38 H96B 2.7768 no 6_645
H40 F1 2.6610 no .
H40 C34 3.3742 no 4_564
H40 H34 2.6351 no 4_564
H40 H51C 3.3727 no 4_564
H42A C29 3.2091 no 6_646
H42A H29A 3.0340 no 6_646
H42A H29B 3.0580 no 6_646
H42A H29C 2.9885 no 6_646
H42A H43A 3.4335 no 4_565
H42A H97A 3.4422 no 6_645
H42C C29 3.4785 no 6_646
H42C H17C 3.0210 no 7_666
H42C H29A 2.8540 no 6_646
H42C H29B 3.5133 no 6_646
H42C H29C 3.5493 no 6_646
H43A C29 3.4599 no 7_666
H43A H29B 2.6432 no 7_666
H43A H29C 3.4413 no 7_666
H43A H34 3.5117 no 4_564
H43A H42A 3.4335 no 4_564
H43A H51C 3.0604 no 4_564
H43A H94B 3.5973 no .
H43A H96A 3.2188 no 6_645
H43B C28 3.3444 no 7_666
H43B C29 3.5823 no 7_666
H43B H28B 3.4742 no 7_666
H43B H28C 2.5010 no 7_666
H43B H29B 2.8597 no 7_666
H43B H94B 2.9248 no .
H43C F1 3.3768 no .
H43C F3 2.9671 no .
H43C F4 3.4434 no .
H43C C94 3.4417 no .
H43C B1 3.4512 no .
H43C H34 3.5369 no 4_564
H43C H94A 3.0873 no .
H43C H94B 2.8604 no .
H44A C75 3.4254 no 2_655
H44A H68 3.3789 no 2_655
H44A H75B 2.5951 no 2_655
H44A H75C 3.5291 no 2_655
H44B C47 3.1553 no 4_564
H44B C48 3.1687 no 4_564
H44B C52 3.4845 no 4_564
H44B C75 3.2636 no 2_655
H44B H47 3.2771 no 4_564
H44B H52B 2.8920 no 4_564
H44B H75A 3.4966 no 2_655
H44B H75B 2.8168 no 2_655
H44B H75C 2.9838 no 2_655
H44C C68 3.4851 no 2_655
H44C C75 3.2833 no 2_655
H44C H34 3.5829 no 4_564
H44C H68 2.7167 no 2_655
H44C H75B 2.6750 no 2_655
H44C H75C 3.0024 no 2_655
H47 F4 2.9456 no 1_556
H47 C33 3.0945 no 4_565
H47 H33 2.4537 no 4_565
H47 H44B 3.2771 no 4_565
H49 O98 2.6089 no 4_565
H49 C75 3.5917 no 3_666
H49 C102 3.1588 no 4_565
H49 H10F 2.7321 no 4_565
H49 H75C 2.6376 no 3_666
H51A C97 3.5787 no 7_666
H51A H33 3.2131 no 4_565
H51A H97B 2.6040 no 7_666
H51B H97B 3.0217 no 7_666
H51C C38 3.4657 no 4_565
H51C C39 3.0671 no 4_565
H51C C40 3.1019 no 4_565
H51C C41 3.5295 no 4_565
H51C C43 3.5720 no 4_565
H51C H40 3.3727 no 4_565
H51C H43A 3.0604 no 4_565
H51C H96A 3.4339 no 7_666
H51C H97B 3.1647 no 7_666
H52A F2 2.9662 no 1_556
H52A F4 3.1345 no 1_556
H52A B1 3.4084 no 1_556
H52A H66 3.1211 no 2_656
H52A H67 3.2799 no 2_656
H52A H91B 3.3301 no 2_656
H52A H91C 3.4301 no 2_656
H52B C66 3.5267 no 2_656
H52B C75 3.3346 no 3_666
H52B H44B 2.8920 no 4_565
H52B H53A 2.9715 no 4_565
H52B H53B 3.4100 no 4_565
H52B H66 2.9168 no 2_656
H52B H72B 3.3047 no 2_656
H52B H75A 3.1247 no 3_666
H52B H75C 2.7251 no 3_666
H52C C66 3.4769 no 2_656
H52C C91 3.3533 no 2_656
H52C C102 3.4830 no 4_565
H52C H10F 2.5501 no 4_565
H52C H66 2.5892 no 2_656
H52C H72B 3.1831 no 2_656
H52C H75C 3.2578 no 3_666
H52C H91B 2.5346 no 2_656
H52C H91C 3.3517 no 2_656
H53A C66 3.1769 no 3_666
H53A C67 2.9855 no 3_666
H53A C68 3.4383 no 3_666
H53A H52B 2.9715 no 4_564
H53A H66 3.4071 no 3_666
H53A H67 3.1025 no 3_666
H53A H75A 3.5069 no 2_655
H53B C75 3.5341 no 2_655
H53B H52B 3.4100 no 4_564
H53B H75A 2.8969 no 2_655
H53B H75B 3.3774 no 2_655
H53B H99A 3.5143 no 4_565
H53C O98 2.7690 no 4_565
H53C C99 3.2118 no 4_565
H53C H72A 3.1583 no 3_666
H53C H75A 3.1970 no 2_655
H53C H99A 2.7385 no 4_565
H63 O98 2.2858 no 2_655
H63 C99 2.9055 no 2_655
H63 C102 3.0075 no 2_655
H63 H10E 2.7202 no 2_655
H63 H99A 3.5790 no 2_655
H63 H99B 2.5323 no 2_655
H66 C52 3.0402 no 2_656
H66 H52A 3.1211 no 2_656
H66 H52B 2.9168 no 2_656
H66 H52C 2.5892 no 2_656
H66 H53A 3.4071 no 3_666
H67 F1 2.5739 no 2_655
H67 F2 3.1579 no 2_655
H67 B1 3.3901 no 2_655
H67 H9 3.0342 no 2_655
H67 H52A 3.2799 no 2_656
H67 H53A 3.1025 no 3_666
H68 C8 3.2279 no 2_655
H68 C9 3.2456 no 2_655
H68 C44 3.4585 no 2_655
H68 H8 2.7514 no 2_655
H68 H9 2.7872 no 2_655
H68 H44A 3.3789 no 2_655
H68 H44C 2.7167 no 2_655
H70 C72 3.4105 no 3_666
H70 H72A 3.5826 no 3_666
H70 H72C 2.4943 no 3_666
H71A C102 3.5294 no 3_666
H71A H10A 3.5834 no 4_565
H71A H10E 2.9615 no 3_666
H71A H10F 3.1790 no 3_666
H71A H99B 3.5841 no 4_565
H71B H99B 3.5930 no 4_565
H71C C99 3.1341 no 4_565
H71C C100 3.5103 no 4_565
H71C H10A 3.0816 no 4_565
H71C H10E 3.2629 no 3_666
H71C H72A 3.1744 no 3_666
H71C H72C 3.1871 no 3_666
H71C H99A 3.3806 no 4_565
H71C H99B 2.2893 no 4_565
H72A C75 3.5084 no 4_565
H72A C99 3.2004 no 2_655
H72A H53C 3.1583 no 3_666
H72A H70 3.5826 no 3_666
H72A H71C 3.1744 no 3_666
H72A H72C 3.2759 no 3_666
H72A H73 3.2127 no 4_565
H72A H74C 3.2694 no 4_565
H72A H75A 2.6791 no 4_565
H72A H99A 2.9716 no 2_655
H72A H99B 2.6734 no 2_655
H72B C73 3.5242 no 4_565
H72B C75 3.1506 no 4_565
H72B H52B 3.3047 no 2_656
H72B H52C 3.1831 no 2_656
H72B H73 2.9157 no 4_565
H72B H75A 2.5385 no 4_565
H72B H75C 3.1247 no 4_565
H72C C70 3.1617 no 3_666
H72C C72 3.1508 no 3_666
H72C C73 3.5452 no 4_565
H72C H70 2.4943 no 3_666
H72C H71C 3.1871 no 3_666
H72C H72A 3.2759 no 3_666
H72C H72C 2.6095 no 3_666
H72C H73 2.6976 no 4_565
H72C H75A 3.3052 no 4_565
H73 C72 3.1101 no 4_564
H73 H72A 3.2127 no 4_564
H73 H72B 2.9157 no 4_564
H73 H72C 2.6976 no 4_564
H74B C8 3.4654 no 2_655
H74B C13 3.4188 no 2_655
H74B C14 3.5266 no 2_655
H74B H8 2.5860 no 2_655
H74B H13B 2.5457 no 2_655
H74B H14A 2.6840 no 2_655
H74C C13 3.5830 no 2_655
H74C C99 3.2866 no 3_665
H74C H10B 3.4014 no 3_665
H74C H13B 2.7887 no 2_655
H74C H13C 3.5273 no 2_655
H74C H72A 3.2694 no 4_564
H74C H99A 2.6119 no 3_665
H74C H99B 3.1965 no 3_665
H75A C53 3.3763 no 2_655
H75A C72 2.9843 no 4_564
H75A H13B 3.1383 no 2_655
H75A H44B 3.4966 no 2_655
H75A H52B 3.1247 no 3_666
H75A H53A 3.5069 no 2_655
H75A H53B 2.8969 no 2_655
H75A H53C 3.1970 no 2_655
H75A H72A 2.6791 no 4_564
H75A H72B 2.5385 no 4_564
H75A H72C 3.3052 no 4_564
H75A H99A 3.2859 no 3_665
H75B C13 3.4695 no 2_655
H75B C44 2.8575 no 2_655
H75B H8 3.1879 no 2_655
H75B H13A 3.5980 no 2_655
H75B H13B 2.5708 no 2_655
H75B H44A 2.5951 no 2_655
H75B H44B 2.8168 no 2_655
H75B H44C 2.6750 no 2_655
H75B H53B 3.3774 no 2_655
H75C C44 3.3448 no 2_655
H75C C48 3.1985 no 3_666
H75C C49 2.9367 no 3_666
H75C C52 3.2062 no 3_666
H75C H44A 3.5291 no 2_655
H75C H44B 2.9838 no 2_655
H75C H44C 3.0024 no 2_655
H75C H49 2.6376 no 3_666
H75C H52B 2.7251 no 3_666
H75C H52C 3.2578 no 3_666
H75C H72B 3.1247 no 4_564
H83 C100 2.9235 no 2_665
H83 C101 2.9903 no 2_665
H83 H10A 2.5979 no 2_665
H83 H10B 2.8471 no 2_665
H83 H10C 3.2485 no 2_665
H83 H10D 3.0725 no 1_565
H83 H10D 2.4127 no 2_665
H83 H86 3.1141 no 3_676
H83 H90B 3.0975 no 3_676
H86 H10A 2.9612 no 4_565
H86 H10D 3.1372 no 3_666
H86 H83 3.1141 no 3_676
H86 H90C 2.9161 no 3_676
H88 F2 3.3606 no 2_655
H88 H14B 3.1847 no 3_676
H88 H14C 3.4417 no 3_676
H90A H10B 3.5814 no 4_565
H90A H14A 3.0432 no .
H90A H14C 3.4271 no .
H90B C85 3.4235 no 3_676
H90B C100 3.3493 no 4_565
H90B H10A 3.1131 no 4_565
H90B H10B 2.6919 no 4_565
H90B H14A 3.4273 no .
H90B H14C 3.0194 no .
H90B H83 3.0975 no 3_676
H90B H90C 3.2093 no 3_676
H90C C85 3.1662 no 3_676
H90C C86 2.9823 no 3_676
H90C C90 3.4361 no 3_676
H90C H14A 3.3027 no .
H90C H14C 3.3297 no .
H90C H86 2.9161 no 3_676
H90C H90B 3.2093 no 3_676
H90C H90C 3.3414 no 3_676
H91A C101 3.0780 no 3_666
H91A C102 3.3854 no 3_666
H91A H10C 2.6878 no 3_666
H91A H10D 2.8195 no 3_666
H91A H10F 2.8893 no 3_666
H91A H14B 3.0886 no 3_676
H91A H25A 3.5271 no 2_656
H91A H25C 3.1733 no 2_656
H91A H26B 3.3267 no 2_656
H91A H26C 3.0236 no 2_656
H91A H92C 3.4354 no 4_575
H91B C52 3.3476 no 2_656
H91B C101 3.4333 no 3_666
H91B C102 3.0234 no 3_666
H91B H10C 3.2508 no 3_666
H91B H10D 3.3930 no 3_666
H91B H10E 3.2388 no 3_666
H91B H10F 2.2249 no 3_666
H91B H25A 3.3657 no 2_656
H91B H25C 3.5884 no 2_656
H91B H52A 3.3301 no 2_656
H91B H52C 2.5346 no 2_656
H91C F2 3.3102 no 2_655
H91C C26 3.1547 no 2_656
H91C H10F 3.5329 no 3_666
H91C H14B 2.7979 no 3_676
H91C H25A 3.0774 no 2_656
H91C H25C 3.4499 no 2_656
H91C H26B 2.4811 no 2_656
H91C H26C 2.9955 no 2_656
H91C H52A 3.4301 no 2_656
H91C H52C 3.3517 no 2_656
H92A C8 3.2953 no 2_655
H92A C9 3.4639 no 2_655
H92A H8 2.8315 no 2_655
H92A H9 3.1583 no 2_655
H92A H14A 3.5560 no 2_655
H92A H26C 2.9540 no 3_676
H92B H8 2.9890 no 2_655
H92B H14A 2.9817 no 2_655
H92C H10C 3.3582 no 2_665
H92C H26C 3.0303 no 3_676
H92C H91A 3.4354 no 4_574
H94A F3 2.6786 no .
H94A F4 2.9139 no .
H94A C21 3.2058 no 1_554
H94A B1 3.3523 no .
H94A H21 2.3937 no 1_554
H94A H43C 3.0873 no .
H94B F3 3.5633 no .
H94B C28 3.1800 no 7_666
H94B C43 3.2841 no .
H94B H28B 2.4736 no 7_666
H94B H28C 3.0275 no 7_666
H94B H29C 3.4262 no 7_666
H94B H43A 3.5973 no .
H94B H43B 2.9248 no .
H94B H43C 2.8604 no .
H95A C27 3.5663 no 4_574
H95A C29 3.1438 no 4_574
H95A H4 3.3853 no 4_574
H95A H17B 3.2430 no .
H95A H27 2.9825 no 4_574
H95A H29A 2.7169 no 4_574
H95A H29B 2.8843 no 4_574
H95B F3 3.2210 no .
H95B C3 3.2688 no 4_574
H95B C4 3.3158 no 4_574
H95B H3 3.2178 no 4_574
H95B H4 3.3047 no 4_574
H95B H15 2.8382 no 4_574
H95B H17C 3.5075 no 4_574
H95B H21 3.2807 no 1_554
H95B H27 3.3047 no 4_574
H96A C29 3.4087 no 4_574
H96A C38 3.5964 no 6_655
H96A H29A 3.4690 no 4_574
H96A H29B 2.5873 no 4_574
H96A H38 3.1197 no 6_655
H96A H43A 3.2188 no 6_655
H96A H51C 3.4339 no 7_666
H96B C15 3.5347 no 4_574
H96B C17 3.3815 no 4_574
H96B C38 3.5313 no 6_655
H96B H15 3.0141 no 4_574
H96B H16A 3.0622 no 4_574
H96B H17C 2.6043 no 4_574
H96B H27 3.4972 no 4_574
H96B H29B 3.3705 no 4_574
H96B H38 2.7768 no 6_655
H97A C22 3.2755 no 1_554
H97A C29 3.4918 no 1_554
H97A H17C 3.2026 no 4_574
H97A H22 2.6993 no 1_554
H97A H29A 3.2956 no 1_554
H97A H29C 2.8106 no 1_554
H97A H42A 3.4422 no 6_655
H97B C22 3.5537 no 7_666
H97B C51 3.0960 no 7_666
H97B H22 2.9476 no 7_666
H97B H28B 3.0345 no 7_666
H97B H51A 2.6040 no 7_666
H97B H51B 3.0217 no 7_666
H97B H51C 3.1647 no 7_666
H99A C13 3.1962 no 4_564
H99A C53 3.5398 no 4_564
H99A C74 3.5642 no 3_665
H99A H13A 3.5581 no 4_564
H99A H13B 3.0048 no 4_564
H99A H13C 2.5984 no 4_564
H99A H53B 3.5143 no 4_564
H99A H53C 2.7385 no 4_564
H99A H63 3.5790 no 2_655
H99A H71C 3.3806 no 4_564
H99A H72A 2.9716 no 2_655
H99A H74C 2.6119 no 3_665
H99A H75A 3.2859 no 3_665
H99B C63 3.2978 no 2_655
H99B C71 3.2377 no 4_564
H99B C72 3.5662 no 2_655
H99B H10E 3.3642 no 2_655
H99B H63 2.5323 no 2_655
H99B H71A 3.5841 no 4_564
H99B H71B 3.5930 no 4_564
H99B H71C 2.2893 no 4_564
H99B H72A 2.6734 no 2_655
H99B H74C 3.1965 no 3_665
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_3
_geom_torsion_site_symmetry_4
C94 O93 C97 C96 2.6(6) no . .
C97 O93 C94 C95 8.4(6) no . .
C99 O98 C102 C101 22.6(10) no . .
C102 O98 C99 C100 -9.2(11) no . .
C1 N2 C3 C4 0.3(4) no . .
C3 N2 C1 Ag1 179.8(2) no . .
C3 N2 C1 N5 -0.6(3) no . .
C1 N2 C6 C7 86.3(3) no . .
C1 N2 C6 C11 -92.5(3) no . .
C6 N2 C1 Ag1 0.8(4) no . .
C6 N2 C1 N5 -179.6(3) no . .
C3 N2 C6 C7 -92.5(4) no . .
C3 N2 C6 C11 88.7(4) no . .
C6 N2 C3 C4 179.2(3) no . .
C1 N5 C4 C3 -0.4(4) no . .
C4 N5 C1 Ag1 -179.7(2) no . .
C4 N5 C1 N2 0.6(3) no . .
C1 N5 C18 C19 -93.3(3) no . .
C1 N5 C18 C23 84.8(4) no . .
C18 N5 C1 Ag1 -2.7(4) no . .
C18 N5 C1 N2 177.6(3) no . .
C4 N5 C18 C19 83.2(4) no . .
C4 N5 C18 C23 -98.7(4) no . .
C18 N5 C4 C3 -177.3(3) no . .
C31 N32 C33 C34 0.0(4) no . .
C33 N32 C31 Ag1 179.5(3) no . .
C33 N32 C31 N35 -0.2(3) no . .
C31 N32 C36 C37 104.5(3) no . .
C31 N32 C36 C41 -77.6(4) no . .
C36 N32 C31 Ag1 -3.3(5) no . .
C36 N32 C31 N35 176.9(3) no . .
C33 N32 C36 C37 -78.7(4) no . .
C33 N32 C36 C41 99.2(4) no . .
C36 N32 C33 C34 -177.2(3) no . .
C31 N35 C34 C33 -0.4(4) no . .
C34 N35 C31 Ag1 -179.4(3) no . .
C34 N35 C31 N32 0.4(4) no . .
C31 N35 C45 C46 -81.8(4) no . .
C31 N35 C45 C50 99.2(4) no . .
C45 N35 C31 Ag1 0.1(5) no . .
C45 N35 C31 N32 179.9(3) no . .
C34 N35 C45 C46 97.7(4) no . .
C34 N35 C45 C50 -81.3(4) no . .
C45 N35 C34 C33 -179.9(3) no . .
C61 N62 C63 C63 0.1(3) no . 2_655
C63 N62 C61 Ag2 179.95(17) no . .
C63 N62 C61 N62 -0.1(2) no . 2_655
C61 N62 C64 C65 -89.3(3) no . .
C61 N62 C64 C69 88.5(3) no . .
C64 N62 C61 Ag2 -4.7(3) no . .
C64 N62 C61 N62 175.3(2) no . 2_655
C63 N62 C64 C65 85.4(3) no . .
C63 N62 C64 C69 -96.8(3) no . .
C64 N62 C63 C63 -175.0(2) no . 2_655
C81 N82 C83 C83 1.7(6) no . 2_655
C83 N82 C81 Ag2 179.4(3) no . .
C83 N82 C81 N82 -0.6(4) no . 2_655
C81 N82 C84 C85 87.0(4) no . .
C81 N82 C84 C89 -93.3(4) no . .
C84 N82 C81 Ag2 -0.6(5) no . .
C84 N82 C81 N82 179.4(4) no . 2_655
C83 N82 C84 C85 -93.0(5) no . .
C83 N82 C84 C89 86.7(5) no . .
C84 N82 C83 C83 -178.3(4) no . 2_655
N2 C3 C4 N5 0.1(4) no . .
N2 C6 C7 C8 -177.7(2) no . .
N2 C6 C7 C12 0.4(4) no . .
N2 C6 C11 C10 177.5(2) no . .
N2 C6 C11 C15 -1.8(4) no . .
C7 C6 C11 C10 -1.3(4) no . .
C7 C6 C11 C15 179.5(3) no . .
C11 C6 C7 C8 1.0(4) no . .
C11 C6 C7 C12 179.2(3) no . .
C6 C7 C8 C9 -0.2(5) no . .
C6 C7 C12 C13 -106.1(3) no . .
C6 C7 C12 C14 131.5(3) no . .
C8 C7 C12 C13 71.9(4) no . .
C8 C7 C12 C14 -50.5(4) no . .
C12 C7 C8 C9 -178.3(3) no . .
C7 C8 C9 C10 -0.4(5) no . .
C8 C9 C10 C11 0.1(5) no . .
C9 C10 C11 C6 0.7(5) no . .
C9 C10 C11 C15 180.0(3) no . .
C6 C11 C15 C16 101.0(3) no . .
C6 C11 C15 C17 -133.9(3) no . .
C10 C11 C15 C16 -78.3(4) no . .
C10 C11 C15 C17 46.9(4) no . .
N5 C18 C19 C20 177.8(2) no . .
N5 C18 C19 C24 -0.3(4) no . .
N5 C18 C23 C22 -177.3(2) no . .
N5 C18 C23 C27 1.4(4) no . .
C19 C18 C23 C22 0.7(5) no . .
C19 C18 C23 C27 179.4(3) no . .
C23 C18 C19 C20 -0.2(5) no . .
C23 C18 C19 C24 -178.3(3) no . .
C18 C19 C20 C21 -0.3(5) no . .
C18 C19 C24 C25 109.4(3) no . .
C18 C19 C24 C26 -126.4(3) no . .
C20 C19 C24 C25 -68.6(4) no . .
C20 C19 C24 C26 55.7(4) no . .
C24 C19 C20 C21 177.8(3) no . .
C19 C20 C21 C22 0.3(6) no . .
C20 C21 C22 C23 0.2(6) no . .
C21 C22 C23 C18 -0.7(5) no . .
C21 C22 C23 C27 -179.4(3) no . .
C18 C23 C27 C28 -107.9(4) no . .
C18 C23 C27 C29 127.6(3) no . .
C22 C23 C27 C28 70.8(4) no . .
C22 C23 C27 C29 -53.7(4) no . .
N32 C33 C34 N35 0.2(4) no . .
N32 C36 C37 C38 177.0(3) no . .
N32 C36 C37 C42 -3.3(5) no . .
N32 C36 C41 C40 -178.3(2) no . .
N32 C36 C41 C44 3.0(4) no . .
C37 C36 C41 C40 -0.5(5) no . .
C37 C36 C41 C44 -179.1(3) no . .
C41 C36 C37 C38 -0.8(5) no . .
C41 C36 C37 C42 178.9(3) no . .
C36 C37 C38 C39 1.1(6) no . .
C42 C37 C38 C39 -178.6(4) no . .
C37 C38 C39 C40 -0.1(6) no . .
C37 C38 C39 C43 179.3(4) no . .
C38 C39 C40 C41 -1.3(6) no . .
C43 C39 C40 C41 179.3(4) no . .
C39 C40 C41 C36 1.6(5) no . .
C39 C40 C41 C44 -179.7(3) no . .
N35 C45 C46 C47 -178.7(2) no . .
N35 C45 C46 C51 1.3(5) no . .
N35 C45 C50 C49 178.1(3) no . .
N35 C45 C50 C53 -3.4(5) no . .
C46 C45 C50 C49 -0.9(5) no . .
C46 C45 C50 C53 177.7(3) no . .
C50 C45 C46 C47 0.3(5) no . .
C50 C45 C46 C51 -179.8(3) no . .
C45 C46 C47 C48 1.2(5) no . .
C51 C46 C47 C48 -178.8(3) no . .
C46 C47 C48 C49 -1.9(5) no . .
C46 C47 C48 C52 178.9(3) no . .
C47 C48 C49 C50 1.2(6) no . .
C52 C48 C49 C50 -179.5(3) no . .
C48 C49 C50 C45 0.1(6) no . .
C48 C49 C50 C53 -178.4(3) no . .
N62 C63 C63 N62 -0.2(4) no 2_655 2_655
N62 C64 C65 C66 176.0(2) no . .
N62 C64 C65 C70 -4.2(4) no . .
N62 C64 C69 C68 -177.2(2) no . .
N62 C64 C69 C73 2.3(4) no . .
C65 C64 C69 C68 0.4(5) no . .
C65 C64 C69 C73 179.9(3) no . .
C69 C64 C65 C66 -1.6(5) no . .
C69 C64 C65 C70 178.1(3) no . .
C64 C65 C66 C67 1.4(5) no . .
C64 C65 C70 C71 118.6(3) no . .
C64 C65 C70 C72 -116.8(3) no . .
C66 C65 C70 C71 -61.7(4) no . .
C66 C65 C70 C72 62.9(4) no . .
C70 C65 C66 C67 -178.3(3) no . .
C65 C66 C67 C68 -0.0(6) no . .
C66 C67 C68 C69 -1.3(6) no . .
C67 C68 C69 C64 1.1(5) no . .
C67 C68 C69 C73 -178.4(3) no . .
C64 C69 C73 C74 -95.6(4) no . .
C64 C69 C73 C75 141.3(3) no . .
C68 C69 C73 C74 83.9(4) no . .
C68 C69 C73 C75 -39.2(4) no . .
N82 C83 C83 N82 -2.0(7) no 2_655 2_655
N82 C84 C85 C86 178.4(3) no . .
N82 C84 C85 C90 -2.4(5) no . .
N82 C84 C89 C88 -178.8(4) no . .
N82 C84 C89 C92 1.5(7) no . .
C85 C84 C89 C88 0.9(7) no . .
C85 C84 C89 C92 -178.8(4) no . .
C89 C84 C85 C86 -1.3(6) no . .
C89 C84 C85 C90 177.9(4) no . .
C84 C85 C86 C87 0.3(6) no . .
C90 C85 C86 C87 -178.8(4) no . .
C85 C86 C87 C88 1.0(7) no . .
C85 C86 C87 C91 178.8(4) no . .
C86 C87 C88 C89 -1.5(8) no . .
C91 C87 C88 C89 -179.3(5) no . .
C87 C88 C89 C84 0.6(9) no . .
C87 C88 C89 C92 -179.7(5) no . .
O93 C94 C95 C96 -16.7(11) no . .
C94 C95 C96 C97 17.2(13) no . .
C95 C96 C97 O93 -12.0(11) no . .
O98 C99 C100 C101 -8.0(14) no . .
C99 C100 C101 C102 22.6(15) no . .
C100 C101 C102 O98 -29.2(15) no . .
