#------------------------------------------------------------------------------
#$Date: 2017-11-29 10:36:04 +0200 (Wed, 29 Nov 2017) $
#$Revision: 203765 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/83/1548302.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_1548302
loop_
_publ_author_name
'Shinnosuke Horiuchi'
'Yuki Tachibana'
'Mitsuki Yamashita'
'Koji Yamamoto'
'Kohei Masai'
'Kohei Takase'
'Teruo Matsutani'
'Shiori Kawamata'
'Yuki Kurashige'
'Takeshi Yanai'
'Tetsuro Murahashi'
_publ_section_title
;
 Multinuclear metal-binding ability of a carotene
;
_journal_name_full               'Nature Communications'
_journal_page_first              6742
_journal_paper_doi               10.1038/ncomms7742
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C158 H152 B2 F48 Pd10'
_chemical_formula_sum            'C158 H152 B2 F48 Pd10'
_chemical_formula_weight         4048.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.2797(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   10.5110(9)
_cell_length_b                   20.5220(18)
_cell_length_c                   35.439(3)
_cell_measurement_reflns_used    22211
_cell_measurement_temperature    133
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.03
_cell_volume                     7623.1(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      133
_diffrn_detector_area_resol_mean 14.629
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            52194
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         3.033
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.260
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4004.00
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.64
_refine_diff_density_min         -0.62
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     988
_refine_ls_number_reflns         14750
_refine_ls_number_restraints     34
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0476P)²+19.6499P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1000
_refine_ls_wR_factor_ref         0.1029
_reflns_number_gt                13736
_reflns_number_total             14750
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ncomms7742-s2.cif
_cod_data_source_block           Pd10_b-carotene2_2BArF_for
_cod_database_code               1548302
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.70975(3) 0.32580(2) 0.84323(2) 0.02421(8) Uani 1 4 d . . .
Pd2 Pd 0.89127(3) 0.24310(2) 0.87376(2) 0.02397(7) Uani 1 4 d . . .
Pd3 Pd 1.06215(3) 0.16136(2) 0.90275(2) 0.02479(8) Uani 1 4 d . . .
Pd4 Pd 1.23536(3) 0.08930(2) 0.93782(2) 0.02554(8) Uani 1 4 d . . .
Pd5 Pd 1.41078(3) 0.02736(2) 0.97852(2) 0.02618(8) Uani 1 4 d . . .
F1 F 0.1303(5) 0.0484(2) 0.53631(17) 0.137(2) Uani 1 4 d . . .
F2 F 0.3136(6) 0.0536(2) 0.52534(15) 0.140(2) Uani 1 4 d . . .
F3 F 0.2754(5) 0.01357(15) 0.57570(10) 0.0938(14) Uani 1 4 d . . .
F4 F 0.1758(7) 0.3140(2) 0.51884(14) 0.142(2) Uani 1 4 d . . .
F5 F 0.0122(5) 0.2785(2) 0.53565(17) 0.130(2) Uani 1 4 d . . .
F6 F 0.1268(5) 0.34814(19) 0.57003(13) 0.1114(18) Uani 1 4 d . . .
F7 F 0.9129(3) 0.32708(16) 0.67404(13) 0.0873(13) Uani 1 4 d . . .
F8 F 0.9316(3) 0.25341(19) 0.71623(10) 0.0722(10) Uani 1 4 d . . .
F9 F 1.0511(3) 0.25076(18) 0.66979(10) 0.0714(9) Uani 1 4 d . . .
F10 F 0.8792(7) 0.0604(2) 0.58704(12) 0.142(2) Uani 1 4 d . . .
F11 F 0.8571(4) 0.13577(17) 0.54885(9) 0.0788(10) Uani 1 4 d . . .
F12 F 0.7035(5) 0.0770(3) 0.55867(19) 0.168(3) Uani 1 4 d . . .
F13 F 0.6776(3) 0.1273(3) 0.78069(10) 0.1054(17) Uani 1 4 d . . .
F14 F 0.5267(3) 0.10304(18) 0.81425(8) 0.0711(9) Uani 1 4 d . . .
F15 F 0.6021(5) 0.0304(2) 0.78128(12) 0.1064(16) Uani 1 4 d . . .
F16 F 0.1018(3) 0.05071(14) 0.75327(8) 0.0542(7) Uani 1 4 d . . .
F17 F 0.1096(3) 0.02910(15) 0.69447(9) 0.0602(8) Uani 1 4 d . . .
F18 F 0.0449(3) 0.12210(14) 0.71220(9) 0.0575(8) Uani 1 4 d . . .
F19 F 0.6155(3) 0.44731(14) 0.62314(8) 0.0589(8) Uani 1 4 d . . .
F20 F 0.6502(4) 0.4777(2) 0.67984(10) 0.1018(16) Uani 1 4 d . . .
F21 F 0.4875(4) 0.51214(14) 0.64663(12) 0.0821(11) Uani 1 4 d . . .
F22 F 0.1812(4) 0.32790(15) 0.75017(12) 0.0823(12) Uani 1 4 d . . .
F23 F 0.2612(3) 0.42224(16) 0.75911(8) 0.0594(8) Uani 1 4 d . . .
F24 F 0.1195(3) 0.4072(2) 0.71469(10) 0.0793(11) Uani 1 4 d . . .
C1 C 0.7328(4) 0.38925(19) 0.79261(11) 0.0303(8) Uani 1 4 d . . .
C2 C 0.6651(4) 0.4542(2) 0.79020(13) 0.0386(10) Uani 1 4 d . . .
C3 C 0.7099(5) 0.5013(2) 0.82152(16) 0.0491(12) Uani 1 4 d . . .
C4 C 0.8522(5) 0.5055(2) 0.82238(15) 0.0466(11) Uani 1 4 d . . .
C5 C 0.9209(4) 0.44115(19) 0.83385(12) 0.0330(9) Uani 1 4 d . . .
C6 C 0.8514(4) 0.38254(18) 0.81426(10) 0.0274(8) Uani 1 4 d . . .
C7 C 0.9056(4) 0.31765(18) 0.81654(10) 0.0259(8) Uani 1 4 d . . .
C8 C 1.0156(4) 0.29488(18) 0.83913(11) 0.0279(8) Uani 1 4 d . . .
C9 C 1.0652(4) 0.23045(18) 0.83837(10) 0.0268(8) Uani 1 4 d . . .
C10 C 1.1731(4) 0.21432(19) 0.86459(11) 0.0285(8) Uani 1 4 d . . .
C11 C 1.2335(4) 0.15306(19) 0.86905(11) 0.0276(8) Uani 1 4 d . . .
C12 C 1.3394(4) 0.14175(19) 0.89682(11) 0.0283(8) Uani 1 4 d . . .
C13 C 1.4065(4) 0.08258(19) 0.90475(11) 0.0280(8) Uani 1 4 d . . .
C14 C 1.5052(4) 0.08261(19) 0.93554(10) 0.0278(8) Uani 1 4 d . . .
C15 C 1.5839(4) 0.02944(19) 0.94736(11) 0.0285(8) Uani 1 4 d . . .
C16 C 1.3207(4) -0.03220(19) 1.02121(11) 0.0277(8) Uani 1 4 d . . .
C17 C 1.2407(4) 0.02018(18) 1.00985(10) 0.0266(8) Uani 1 4 d . . .
C18 C 1.1453(4) 0.02111(18) 0.97782(10) 0.0264(8) Uani 1 4 d . . .
C19 C 1.0729(4) 0.07887(18) 0.97117(10) 0.0257(7) Uani 1 4 d . . .
C20 C 0.9744(4) 0.08999(18) 0.94128(10) 0.0257(7) Uani 1 4 d . . .
C21 C 0.9042(4) 0.14856(18) 0.93769(10) 0.0253(7) Uani 1 4 d . . .
C22 C 0.8057(4) 0.16281(17) 0.90819(10) 0.0243(7) Uani 1 4 d . . .
C23 C 0.7393(3) 0.22336(17) 0.90948(10) 0.0241(7) Uani 1 4 d . . .
C24 C 0.6440(3) 0.24489(17) 0.88112(10) 0.0238(7) Uani 1 4 d . . .
C25 C 0.5607(3) 0.30065(18) 0.88116(11) 0.0259(7) Uani 1 4 d . . .
C26 C 0.5442(4) 0.34124(19) 0.91728(11) 0.0307(8) Uani 1 4 d . . .
C27 C 0.4281(5) 0.3873(2) 0.91099(13) 0.0451(11) Uani 1 4 d . . .
C28 C 0.4251(5) 0.4236(2) 0.87368(13) 0.0462(11) Uani 1 4 d . . .
C29 C 0.4073(4) 0.3750(2) 0.84192(13) 0.0409(10) Uani 1 4 d . . .
C30 C 0.4949(4) 0.31654(19) 0.84602(11) 0.0297(8) Uani 1 4 d . . .
C31 C 0.6906(4) 0.3458(2) 0.75957(11) 0.0382(10) Uani 1 4 d . . .
C32 C 1.0536(4) 0.4470(2) 0.81793(14) 0.0430(11) Uani 1 4 d . . .
C33 C 0.9349(5) 0.4360(2) 0.87716(12) 0.0424(10) Uani 1 4 d . . .
C34 C 1.0277(4) 0.18311(19) 0.80660(11) 0.0335(9) Uani 1 4 d . . .
C35 C 1.3907(4) 0.02390(19) 0.87937(11) 0.0333(9) Uani 1 4 d . . .
C36 C 1.1148(4) -0.04110(18) 0.95617(11) 0.0311(8) Uani 1 4 d . . .
C37 C 0.7623(4) 0.10951(18) 0.88044(11) 0.0294(8) Uani 1 4 d . . .
C38 C 0.6613(4) 0.3819(2) 0.92944(13) 0.0405(10) Uani 1 4 d . . .
C39 C 0.5136(4) 0.2956(2) 0.94965(12) 0.0377(9) Uani 1 4 d . . .
C40 C 0.4659(4) 0.2671(2) 0.81446(12) 0.0389(10) Uani 1 4 d . . .
C41 C 0.3562(4) 0.20067(18) 0.61725(11) 0.0283(8) Uani 1 4 d . . .
C42 C 0.3356(4) 0.13867(19) 0.60149(11) 0.0321(8) Uani 1 4 d . . .
C43 C 0.2502(4) 0.1275(2) 0.57039(12) 0.0372(9) Uani 1 4 d . . .
C44 C 0.1796(5) 0.1783(2) 0.55389(13) 0.0444(11) Uani 1 4 d . . .
C45 C 0.1951(5) 0.2399(2) 0.56933(13) 0.0438(11) Uani 1 4 d . . .
C46 C 0.2828(4) 0.2509(2) 0.59998(12) 0.0340(9) Uani 1 4 d . . .
C47 C 0.2385(6) 0.0610(3) 0.55333(13) 0.0516(13) Uani 1 4 d . . .
C48 C 0.1196(7) 0.2948(3) 0.55166(19) 0.079(2) Uani 1 4 d . . .
C49 C 0.6061(4) 0.20098(17) 0.64356(11) 0.0278(8) Uani 1 4 d . . .
C50 C 0.7074(4) 0.23132(19) 0.66450(12) 0.0326(8) Uani 1 4 d . . .
C51 C 0.8339(4) 0.2237(2) 0.65651(13) 0.0380(10) Uani 1 4 d . . .
C52 C 0.8656(4) 0.1832(2) 0.62762(15) 0.0454(11) Uani 1 4 d . . .
C53 C 0.7679(4) 0.1508(2) 0.60672(14) 0.0404(10) Uani 1 4 d . . .
C54 C 0.6405(4) 0.16062(19) 0.61435(12) 0.0332(9) Uani 1 4 d . . .
C55 C 0.9330(5) 0.2635(3) 0.67897(18) 0.0564(14) Uani 1 4 d . . .
C56 C 0.8010(5) 0.1070(3) 0.57560(17) 0.0572(14) Uani 1 4 d . . .
C57 C 0.4228(4) 0.16239(16) 0.68809(10) 0.0244(7) Uani 1 4 d . . .
C58 C 0.5109(4) 0.14675(18) 0.71844(10) 0.0286(8) Uani 1 4 d . . .
C59 C 0.4766(4) 0.10927(19) 0.74884(11) 0.0327(9) Uani 1 4 d . . .
C60 C 0.3537(4) 0.08586(19) 0.75025(11) 0.0336(9) Uani 1 4 d . . .
C61 C 0.2654(4) 0.10056(17) 0.72101(11) 0.0303(8) Uani 1 4 d . . .
C62 C 0.2994(4) 0.13814(17) 0.69061(11) 0.0276(8) Uani 1 4 d . . .
C63 C 0.5740(5) 0.0928(3) 0.78030(13) 0.0498(12) Uani 1 4 d . . .
C64 C 0.1317(4) 0.0758(2) 0.72014(12) 0.0376(9) Uani 1 4 d . . .
C65 C 0.4381(4) 0.28726(17) 0.66961(10) 0.0259(8) Uani 1 4 d . . .
C66 C 0.5053(4) 0.34028(18) 0.65630(11) 0.0286(8) Uani 1 4 d . . .
C67 C 0.4829(4) 0.40403(18) 0.66803(11) 0.0310(8) Uani 1 4 d . . .
C68 C 0.3912(4) 0.41687(19) 0.69296(11) 0.0341(9) Uani 1 4 d . . .
C69 C 0.3225(4) 0.36486(19) 0.70620(11) 0.0303(8) Uani 1 4 d . . .
C70 C 0.3469(4) 0.30166(18) 0.69506(11) 0.0293(8) Uani 1 4 d . . .
C71 C 0.5609(5) 0.4592(2) 0.65491(13) 0.0426(11) Uani 1 4 d . . .
C72 C 0.2218(4) 0.3796(2) 0.73249(13) 0.0401(10) Uani 1 4 d . . .
C73 C 1.1254(7) 0.2330(4) 1.0262(2) 0.048(2) Uiso 0.611(9) 4 d . . .
C74 C 1.0094(9) 0.2629(5) 1.0256(3) 0.054(4) Uiso 0.611(9) 4 d . . .
C75 C 0.9627(9) 0.3052(5) 0.9973(3) 0.072(3) Uiso 0.611(9) 4 d . . .
C76 C 1.0458(11) 0.3160(6) 0.9656(3) 0.075(4) Uiso 0.611(9) 4 d . . .
C77 C 1.1515(8) 0.2865(4) 0.9650(2) 0.051(2) Uiso 0.611(9) 4 d . . .
C78 C 1.2004(8) 0.2442(5) 0.9965(3) 0.049(2) Uiso 0.611(9) 4 d . . .
C79 C 1.1662(10) 0.1875(5) 1.0583(3) 0.063(3) Uiso 0.611(9) 4 d . . .
C80 C 1.0717(17) 0.2817(8) 0.9933(5) 0.110(8) Uiso 0.389(9) 4 d . . .
C81 C 1.1900(15) 0.2584(9) 0.9861(5) 0.081(7) Uiso 0.389(9) 4 d . . .
C82 C 1.2482(16) 0.2132(10) 1.0119(5) 0.121(9) Uiso 0.389(9) 4 d . . .
C83 C 1.2028(14) 0.1967(9) 1.0459(5) 0.076(5) Uiso 0.389(9) 4 d . . .
C84 C 1.0689(10) 0.2115(5) 1.0490(3) 0.040(3) Uiso 0.389(9) 4 d . . .
C85 C 1.015(2) 0.2571(14) 1.0256(7) 0.120(17) Uiso 0.389(9) 4 d . . .
C86 C 1.010(2) 0.3276(10) 0.9690(6) 0.083(7) Uiso 0.389(9) 4 d . . .
B1 B 0.4579(4) 0.2125(2) 0.65424(12) 0.0263(9) Uani 1 4 d . . .
H2A H 0.57232 0.4468 0.79124 0.0464 Uiso 1 4 calc R . .
H2B H 0.67853 0.47448 0.76545 0.0464 Uiso 1 4 calc R . .
H3A H 0.67162 0.54483 0.81656 0.0589 Uiso 1 4 calc R . .
H3B H 0.68368 0.48547 0.84616 0.0589 Uiso 1 4 calc R . .
H4A H 0.8821 0.54 0.84044 0.0559 Uiso 1 4 calc R . .
H4B H 0.87655 0.51848 0.797 0.0559 Uiso 1 4 calc R . .
H7 H 0.86243 0.28579 0.80092 0.0311 Uiso 1 4 calc R . .
H8 H 1.05867 0.32515 0.85587 0.0334 Uiso 1 4 calc R . .
H10 H 1.20673 0.24854 0.88041 0.0342 Uiso 1 4 calc R . .
H11 H 1.20364 0.11801 0.85327 0.0331 Uiso 1 4 calc R . .
H12 H 1.36742 0.17839 0.91156 0.0339 Uiso 1 4 calc R . .
H14 H 1.51841 0.12226 0.94911 0.0334 Uiso 1 4 calc R . .
H15 H 1.57331 -0.0104 0.93384 0.0342 Uiso 1 4 calc R . .
H16 H 1.31137 -0.07179 1.00738 0.0333 Uiso 1 4 calc R . .
H17 H 1.24971 0.05888 1.02452 0.0319 Uiso 1 4 calc R . .
H19 H 1.09117 0.11395 0.98821 0.0309 Uiso 1 4 calc R . .
H20 H 0.95604 0.05643 0.92322 0.0309 Uiso 1 4 calc R . .
H21 H 0.92322 0.18132 0.9562 0.0304 Uiso 1 4 calc R . .
H23 H 0.75959 0.25122 0.93049 0.0289 Uiso 1 4 calc R . .
H24 H 0.63432 0.21849 0.85908 0.0285 Uiso 1 4 calc R . .
H27A H 0.34882 0.36142 0.91177 0.0541 Uiso 1 4 calc R . .
H27B H 0.43006 0.41928 0.93193 0.0541 Uiso 1 4 calc R . .
H28A H 0.35406 0.45541 0.87204 0.0554 Uiso 1 4 calc R . .
H28B H 0.506 0.44772 0.87183 0.0554 Uiso 1 4 calc R . .
H29A H 0.42136 0.39731 0.81782 0.0491 Uiso 1 4 calc R . .
H29B H 0.3178 0.35952 0.84034 0.0491 Uiso 1 4 calc R . .
H31A H 0.72032 0.30117 0.76481 0.0459 Uiso 1 4 calc R . .
H31B H 0.72687 0.36183 0.73665 0.0459 Uiso 1 4 calc R . .
H31C H 0.59727 0.34605 0.75583 0.0459 Uiso 1 4 calc R . .
H32A H 1.10715 0.41023 0.82692 0.0516 Uiso 1 4 calc R . .
H32B H 1.09398 0.48792 0.82657 0.0516 Uiso 1 4 calc R . .
H32C H 1.0437 0.44648 0.79021 0.0516 Uiso 1 4 calc R . .
H33A H 0.96692 0.39259 0.88449 0.0508 Uiso 1 4 calc R . .
H33B H 0.85162 0.44288 0.88724 0.0508 Uiso 1 4 calc R . .
H33C H 0.99502 0.46914 0.88741 0.0508 Uiso 1 4 calc R . .
H34A H 1.08483 0.18865 0.78622 0.0402 Uiso 1 4 calc R . .
H34B H 0.93962 0.19171 0.79683 0.0402 Uiso 1 4 calc R . .
H34C H 1.03442 0.13838 0.81624 0.0402 Uiso 1 4 calc R . .
H35A H 1.4603 0.0226 0.86246 0.0400 Uiso 1 4 calc R . .
H35B H 1.30884 0.02662 0.8643 0.0400 Uiso 1 4 calc R . .
H35C H 1.39273 -0.01574 0.89483 0.0400 Uiso 1 4 calc R . .
H36A H 1.0606 -0.03112 0.9332 0.0373 Uiso 1 4 calc R . .
H36B H 1.06987 -0.07117 0.97205 0.0373 Uiso 1 4 calc R . .
H36C H 1.19422 -0.06134 0.94923 0.0373 Uiso 1 4 calc R . .
H37A H 0.68707 0.12435 0.86479 0.0353 Uiso 1 4 calc R . .
H37B H 0.7407 0.07033 0.89442 0.0353 Uiso 1 4 calc R . .
H37C H 0.83118 0.09944 0.86419 0.0353 Uiso 1 4 calc R . .
H38A H 0.64986 0.40223 0.95398 0.0486 Uiso 1 4 calc R . .
H38B H 0.67263 0.41591 0.91054 0.0486 Uiso 1 4 calc R . .
H38C H 0.73694 0.35385 0.9316 0.0486 Uiso 1 4 calc R . .
H39A H 0.48634 0.32143 0.97087 0.0452 Uiso 1 4 calc R . .
H39B H 0.58993 0.27051 0.95796 0.0452 Uiso 1 4 calc R . .
H39C H 0.44501 0.26572 0.94081 0.0452 Uiso 1 4 calc R . .
H40A H 0.39388 0.23976 0.82061 0.0467 Uiso 1 4 calc R . .
H40B H 0.54107 0.23962 0.81187 0.0467 Uiso 1 4 calc R . .
H40C H 0.44424 0.29007 0.79061 0.0467 Uiso 1 4 calc R . .
H42 H 0.38192 0.10284 0.61252 0.0385 Uiso 1 4 calc R . .
H44 H 0.1217 0.17096 0.53241 0.0532 Uiso 1 4 calc R . .
H46 H 0.29342 0.29395 0.60954 0.0409 Uiso 1 4 calc R . .
H50 H 0.68891 0.25837 0.68515 0.0391 Uiso 1 4 calc R . .
H52 H 0.95207 0.17751 0.62215 0.0544 Uiso 1 4 calc R . .
H54 H 0.57522 0.13907 0.59911 0.0398 Uiso 1 4 calc R . .
H58 H 0.5961 0.16212 0.71826 0.0343 Uiso 1 4 calc R . .
H60 H 0.33091 0.06017 0.771 0.0403 Uiso 1 4 calc R . .
H62 H 0.23621 0.14768 0.6708 0.0331 Uiso 1 4 calc R . .
H66 H 0.56786 0.33277 0.63878 0.0344 Uiso 1 4 calc R . .
H68 H 0.37535 0.46017 0.70085 0.0409 Uiso 1 4 calc R . .
H70 H 0.29996 0.26696 0.70507 0.0351 Uiso 1 4 calc R . .
H74 H 0.95729 0.25422 1.04583 0.0651 Uiso 0.611(9) 4 calc R . .
H75 H 0.88223 0.32606 0.99806 0.0861 Uiso 0.611(9) 4 calc R . .
H76 H 1.01951 0.34525 0.94575 0.0905 Uiso 0.611(9) 4 calc R . .
H77 H 1.20058 0.29166 0.94379 0.0613 Uiso 0.611(9) 4 calc R . .
H78 H 1.28256 0.22501 0.99641 0.0593 Uiso 0.611(9) 4 calc R . .
H79A H 1.25686 0.17709 1.05741 0.0762 Uiso 0.611(9) 4 calc R . .
H79B H 1.11583 0.14734 1.05587 0.0762 Uiso 0.611(9) 4 calc R . .
H79C H 1.15224 0.20862 1.08245 0.0762 Uiso 0.611(9) 4 calc R . .
H81 H 1.23104 0.27212 0.9645 0.0967 Uiso 0.389(9) 4 calc R . .
H82 H 1.3245 0.19277 1.00533 0.1449 Uiso 0.389(9) 4 calc R . .
H83 H 1.25484 0.1771 1.06584 0.0907 Uiso 0.389(9) 4 calc R . .
H84 H 1.02088 0.18976 1.06692 0.0476 Uiso 0.389(9) 4 calc R . .
H85 H 0.93441 0.27387 1.03104 0.1436 Uiso 0.389(9) 4 calc R . .
H86A H 1.06897 0.34218 0.95048 0.1001 Uiso 0.389(9) 4 calc R . .
H86B H 0.98389 0.36498 0.98369 0.1001 Uiso 0.389(9) 4 calc R . .
H86C H 0.93497 0.30757 0.95569 0.1001 Uiso 0.389(9) 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
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(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_2
_geom_angle_site_symmetry_3
Pd2 Pd1 C1 124.50(10) yes . . .
Pd2 Pd1 C6 92.12(10) yes . . .
Pd2 Pd1 C7 60.16(9) yes . . .
Pd2 Pd1 C24 62.90(9) yes . . .
Pd2 Pd1 C25 96.96(10) yes . . .
Pd2 Pd1 C30 126.88(10) yes . . .
C1 Pd1 C6 37.25(14) yes . . .
C1 Pd1 C7 64.34(13) yes . . .
C1 Pd1 C24 161.94(13) yes . . .
C1 Pd1 C25 138.45(14) yes . . .
C1 Pd1 C30 104.46(14) yes . . .
C6 Pd1 C7 37.09(13) yes . . .
C6 Pd1 C24 155.02(13) yes . . .
C6 Pd1 C25 160.95(14) yes . . .
C6 Pd1 C30 140.49(14) yes . . .
C7 Pd1 C24 120.19(13) yes . . .
C7 Pd1 C25 156.95(13) yes . . .
C7 Pd1 C30 156.85(13) yes . . .
C24 Pd1 C25 37.51(13) yes . . .
C24 Pd1 C30 64.35(13) yes . . .
C25 Pd1 C30 36.85(14) yes . . .
Pd1 Pd2 Pd3 178.68(2) yes . . .
Pd1 Pd2 C8 84.40(10) yes . . .
Pd1 Pd2 C9 114.53(9) yes . . .
Pd1 Pd2 C22 111.83(9) yes . . .
Pd1 Pd2 C23 79.73(9) yes . . .
Pd3 Pd2 C8 96.48(10) yes . . .
Pd3 Pd2 C9 65.92(9) yes . . .
Pd3 Pd2 C22 67.15(9) yes . . .
Pd3 Pd2 C23 99.60(10) yes . . .
C8 Pd2 C9 37.05(14) yes . . .
C8 Pd2 C22 161.73(14) yes . . .
C8 Pd2 C23 160.66(14) yes . . .
C9 Pd2 C22 124.82(13) yes . . .
C9 Pd2 C23 162.29(13) yes . . .
C22 Pd2 C23 37.51(13) yes . . .
Pd2 Pd3 Pd4 173.56(3) yes . . .
Pd2 Pd3 C10 79.46(10) yes . . .
Pd2 Pd3 C11 113.31(10) yes . . .
Pd2 Pd3 C20 110.87(9) yes . . .
Pd2 Pd3 C21 76.59(10) yes . . .
Pd4 Pd3 C10 101.29(10) yes . . .
Pd4 Pd3 C11 69.40(10) yes . . .
Pd4 Pd3 C20 69.02(9) yes . . .
Pd4 Pd3 C21 101.44(10) yes . . .
C10 Pd3 C11 37.47(14) yes . . .
C10 Pd3 C20 168.55(14) yes . . .
C10 Pd3 C21 154.15(14) yes . . .
C11 Pd3 C20 131.08(14) yes . . .
C11 Pd3 C21 168.28(14) yes . . .
C20 Pd3 C21 37.29(14) yes . . .
Pd3 Pd4 Pd5 173.63(3) yes . . .
Pd3 Pd4 C12 76.50(10) yes . . .
Pd3 Pd4 C13 110.48(10) yes . . .
Pd3 Pd4 C18 110.10(9) yes . . .
Pd3 Pd4 C19 76.28(10) yes . . .
Pd5 Pd4 C12 104.09(10) yes . . .
Pd5 Pd4 C13 72.09(10) yes . . .
Pd5 Pd4 C18 70.08(9) yes . . .
Pd5 Pd4 C19 101.89(10) yes . . .
C12 Pd4 C13 37.76(14) yes . . .
C12 Pd4 C18 170.97(14) yes . . .
C12 Pd4 C19 151.05(14) yes . . .
C13 Pd4 C18 133.51(14) yes . . .
C13 Pd4 C19 170.63(14) yes . . .
C18 Pd4 C19 37.47(14) yes . . .
Pd4 Pd5 Pd5 176.23(3) yes . . 3_857
Pd4 Pd5 C14 72.53(10) yes . . .
Pd4 Pd5 C15 107.01(10) yes . . .
Pd4 Pd5 C16 109.20(10) yes . . .
Pd4 Pd5 C17 74.91(9) yes . . .
Pd5 Pd5 C14 106.71(10) yes 3_857 . .
Pd5 Pd5 C15 73.30(10) yes 3_857 . .
Pd5 Pd5 C16 71.69(10) yes 3_857 . .
Pd5 Pd5 C17 104.93(10) yes 3_857 . .
C14 Pd5 C15 37.54(14) yes . . .
C14 Pd5 C16 177.43(14) yes . . .
C14 Pd5 C17 145.03(14) yes . . .
C15 Pd5 C16 140.09(14) yes . . .
C15 Pd5 C17 177.18(14) yes . . .
C16 Pd5 C17 37.31(14) yes . . .
Pd1 C1 C2 118.6(3) yes . . .
Pd1 C1 C6 69.8(2) yes . . .
Pd1 C1 C31 103.5(3) yes . . .
C2 C1 C6 120.4(3) yes . . .
C2 C1 C31 111.6(3) yes . . .
C6 C1 C31 123.7(4) yes . . .
C1 C2 C3 113.6(4) yes . . .
C2 C3 C4 107.8(4) yes . . .
C3 C4 C5 113.8(4) yes . . .
C4 C5 C6 110.5(3) yes . . .
C4 C5 C32 104.7(3) yes . . .
C4 C5 C33 109.3(4) yes . . .
C6 C5 C32 107.8(3) yes . . .
C6 C5 C33 113.7(3) yes . . .
C32 C5 C33 110.4(3) yes . . .
Pd1 C6 C1 72.9(2) yes . . .
Pd1 C6 C5 121.0(3) yes . . .
Pd1 C6 C7 76.4(2) yes . . .
C1 C6 C5 122.3(3) yes . . .
C1 C6 C7 116.4(3) yes . . .
C5 C6 C7 121.3(3) yes . . .
Pd1 C7 C6 66.5(2) yes . . .
Pd1 C7 C8 119.7(3) yes . . .
C6 C7 C8 128.9(3) yes . . .
Pd2 C8 C7 88.9(2) yes . . .
Pd2 C8 C9 77.9(2) yes . . .
C7 C8 C9 125.0(3) yes . . .
Pd2 C9 C8 65.1(2) yes . . .
Pd2 C9 C10 106.9(2) yes . . .
Pd2 C9 C34 107.6(3) yes . . .
C8 C9 C10 118.1(3) yes . . .
C8 C9 C34 122.3(3) yes . . .
C10 C9 C34 118.5(3) yes . . .
Pd3 C10 C9 94.8(2) yes . . .
Pd3 C10 C11 74.9(2) yes . . .
C9 C10 C11 126.8(3) yes . . .
Pd3 C11 C10 67.6(2) yes . . .
Pd3 C11 C12 104.9(3) yes . . .
C10 C11 C12 122.3(3) yes . . .
Pd4 C12 C11 97.7(2) yes . . .
Pd4 C12 C13 73.2(2) yes . . .
C11 C12 C13 128.0(4) yes . . .
Pd4 C13 C12 69.0(2) yes . . .
Pd4 C13 C14 99.5(3) yes . . .
Pd4 C13 C35 107.9(3) yes . . .
C12 C13 C14 117.7(3) yes . . .
C12 C13 C35 122.3(3) yes . . .
C14 C13 C35 119.4(3) yes . . .
Pd5 C14 C13 100.8(3) yes . . .
Pd5 C14 C15 71.4(2) yes . . .
C13 C14 C15 126.4(3) yes . . .
Pd5 C15 C14 71.1(2) yes . . .
Pd5 C15 C16 99.6(3) yes . . 3_857
C14 C15 C16 123.8(3) yes . . 3_857
Pd5 C16 C15 101.4(3) yes . . 3_857
Pd5 C16 C17 70.1(2) yes . . .
C15 C16 C17 123.9(3) yes 3_857 . .
Pd5 C17 C16 72.6(2) yes . . .
Pd5 C17 C18 98.4(2) yes . . .
C16 C17 C18 126.5(3) yes . . .
Pd4 C18 C17 101.6(2) yes . . .
Pd4 C18 C19 67.8(2) yes . . .
Pd4 C18 C36 106.8(2) yes . . .
C17 C18 C19 118.0(3) yes . . .
C17 C18 C36 119.4(3) yes . . .
C19 C18 C36 122.0(3) yes . . .
Pd4 C19 C18 74.8(2) yes . . .
Pd4 C19 C20 97.8(2) yes . . .
C18 C19 C20 126.9(3) yes . . .
Pd3 C20 C19 104.2(2) yes . . .
Pd3 C20 C21 68.0(2) yes . . .
C19 C20 C21 122.9(3) yes . . .
Pd3 C21 C20 74.7(2) yes . . .
Pd3 C21 C22 95.8(2) yes . . .
C20 C21 C22 125.4(3) yes . . .
Pd2 C22 C21 104.1(2) yes . . .
Pd2 C22 C23 66.5(2) yes . . .
Pd2 C22 C37 106.6(2) yes . . .
C21 C22 C23 118.6(3) yes . . .
C21 C22 C37 119.1(3) yes . . .
C23 C22 C37 121.6(3) yes . . .
Pd2 C23 C22 76.0(2) yes . . .
Pd2 C23 C24 92.3(2) yes . . .
C22 C23 C24 124.3(3) yes . . .
Pd1 C24 C23 114.3(2) yes . . .
Pd1 C24 C25 68.4(2) yes . . .
C23 C24 C25 129.5(3) yes . . .
Pd1 C25 C24 74.1(2) yes . . .
Pd1 C25 C26 120.5(2) yes . . .
Pd1 C25 C30 74.4(2) yes . . .
C24 C25 C26 122.3(3) yes . . .
C24 C25 C30 116.0(3) yes . . .
C26 C25 C30 121.7(3) yes . . .
C25 C26 C27 110.2(3) yes . . .
C25 C26 C38 113.0(3) yes . . .
C25 C26 C39 109.4(3) yes . . .
C27 C26 C38 108.6(3) yes . . .
C27 C26 C39 105.9(3) yes . . .
C38 C26 C39 109.5(3) yes . . .
C26 C27 C28 113.0(4) yes . . .
C27 C28 C29 108.6(4) yes . . .
C28 C29 C30 114.4(4) yes . . .
Pd1 C30 C25 68.7(2) yes . . .
Pd1 C30 C29 121.9(3) yes . . .
Pd1 C30 C40 99.7(3) yes . . .
C25 C30 C29 121.4(4) yes . . .
C25 C30 C40 123.3(3) yes . . .
C29 C30 C40 111.8(3) yes . . .
C42 C41 C46 115.5(3) yes . . .
C42 C41 B1 121.5(3) yes . . .
C46 C41 B1 122.9(3) yes . . .
C41 C42 C43 122.6(4) yes . . .
C42 C43 C44 120.3(4) yes . . .
C42 C43 C47 120.1(4) yes . . .
C44 C43 C47 119.4(4) yes . . .
C43 C44 C45 118.6(4) yes . . .
C44 C45 C46 120.6(4) yes . . .
C44 C45 C48 118.9(4) yes . . .
C46 C45 C48 120.5(4) yes . . .
C41 C46 C45 122.3(4) yes . . .
F1 C47 F2 100.6(5) yes . . .
F1 C47 F3 110.7(5) yes . . .
F1 C47 C43 114.9(5) yes . . .
F2 C47 F3 101.8(5) yes . . .
F2 C47 C43 111.9(5) yes . . .
F3 C47 C43 115.2(4) yes . . .
F4 C48 F5 96.8(6) yes . . .
F4 C48 F6 99.8(5) yes . . .
F4 C48 C45 108.6(5) yes . . .
F5 C48 F6 118.2(6) yes . . .
F5 C48 C45 114.6(5) yes . . .
F6 C48 C45 115.2(5) yes . . .
C50 C49 C54 115.4(4) yes . . .
C50 C49 B1 120.7(3) yes . . .
C54 C49 B1 123.9(3) yes . . .
C49 C50 C51 123.0(4) yes . . .
C50 C51 C52 120.5(4) yes . . .
C50 C51 C55 117.9(4) yes . . .
C52 C51 C55 121.6(4) yes . . .
C51 C52 C53 118.3(4) yes . . .
C52 C53 C54 120.5(4) yes . . .
C52 C53 C56 118.8(4) yes . . .
C54 C53 C56 120.7(4) yes . . .
C49 C54 C53 122.2(4) yes . . .
F7 C55 F8 105.5(5) yes . . .
F7 C55 F9 107.6(4) yes . . .
F7 C55 C51 111.4(4) yes . . .
F8 C55 F9 106.8(4) yes . . .
F8 C55 C51 112.4(4) yes . . .
F9 C55 C51 112.7(5) yes . . .
F10 C56 F11 104.5(5) yes . . .
F10 C56 F12 104.6(5) yes . . .
F10 C56 C53 112.9(5) yes . . .
F11 C56 F12 105.3(5) yes . . .
F11 C56 C53 114.4(4) yes . . .
F12 C56 C53 114.1(5) yes . . .
C58 C57 C62 115.6(3) yes . . .
C58 C57 B1 122.1(3) yes . . .
C62 C57 B1 122.0(3) yes . . .
C57 C58 C59 121.7(4) yes . . .
C58 C59 C60 121.1(4) yes . . .
C58 C59 C63 120.0(4) yes . . .
C60 C59 C63 119.0(4) yes . . .
C59 C60 C61 118.5(4) yes . . .
C60 C61 C62 120.5(4) yes . . .
C60 C61 C64 121.6(4) yes . . .
C62 C61 C64 117.9(3) yes . . .
C57 C62 C61 122.6(3) yes . . .
F13 C63 F14 105.7(4) yes . . .
F13 C63 F15 110.1(5) yes . . .
F13 C63 C59 114.3(4) yes . . .
F14 C63 F15 103.0(4) yes . . .
F14 C63 C59 110.6(4) yes . . .
F15 C63 C59 112.3(4) yes . . .
F16 C64 F17 106.3(3) yes . . .
F16 C64 F18 104.9(4) yes . . .
F16 C64 C61 113.3(3) yes . . .
F17 C64 F18 106.7(3) yes . . .
F17 C64 C61 112.1(4) yes . . .
F18 C64 C61 113.0(3) yes . . .
C66 C65 C70 116.2(3) yes . . .
C66 C65 B1 122.3(3) yes . . .
C70 C65 B1 121.4(3) yes . . .
C65 C66 C67 121.9(4) yes . . .
C66 C67 C68 120.6(4) yes . . .
C66 C67 C71 120.6(4) yes . . .
C68 C67 C71 118.7(4) yes . . .
C67 C68 C69 118.3(4) yes . . .
C68 C69 C70 120.8(4) yes . . .
C68 C69 C72 117.7(4) yes . . .
C70 C69 C72 121.5(4) yes . . .
C65 C70 C69 122.2(4) yes . . .
F19 C71 F20 107.2(4) yes . . .
F19 C71 F21 103.9(4) yes . . .
F19 C71 C67 114.0(3) yes . . .
F20 C71 F21 106.7(4) yes . . .
F20 C71 C67 113.3(4) yes . . .
F21 C71 C67 111.1(4) yes . . .
F22 C72 F23 106.7(4) yes . . .
F22 C72 F24 106.8(4) yes . . .
F22 C72 C69 113.8(4) yes . . .
F23 C72 F24 104.7(4) yes . . .
F23 C72 C69 112.2(4) yes . . .
F24 C72 C69 112.1(4) yes . . .
C74 C73 C78 118.3(8) yes . . .
C74 C73 C79 119.5(8) yes . . .
C78 C73 C79 122.1(8) yes . . .
C73 C74 C75 124.0(9) yes . . .
C74 C75 C76 116.3(9) yes . . .
C75 C76 C77 120.3(10) yes . . .
C76 C77 C78 121.7(9) yes . . .
C73 C78 C77 119.2(8) yes . . .
C81 C80 C85 117.6(17) yes . . .
C81 C80 C86 120.1(17) yes . . .
C85 C80 C86 122.3(18) yes . . .
C80 C81 C82 117.6(16) yes . . .
C81 C82 C83 124.8(16) yes . . .
C82 C83 C84 114.7(14) yes . . .
C83 C84 C85 117.5(14) yes . . .
C80 C85 C84 124.3(19) yes . . .
C41 B1 C49 111.4(3) yes . . .
C41 B1 C57 108.8(3) yes . . .
C41 B1 C65 108.0(3) yes . . .
C49 B1 C57 110.3(3) yes . . .
C49 B1 C65 110.7(3) yes . . .
C57 B1 C65 107.5(3) yes . . .
C1 C2 H2A 108.846 no . . .
C1 C2 H2B 108.829 no . . .
C3 C2 H2A 108.850 no . . .
C3 C2 H2B 108.840 no . . .
H2A C2 H2B 107.685 no . . .
C2 C3 H3A 110.137 no . . .
C2 C3 H3B 110.128 no . . .
C4 C3 H3A 110.141 no . . .
C4 C3 H3B 110.146 no . . .
H3A C3 H3B 108.458 no . . .
C3 C4 H4A 108.800 no . . .
C3 C4 H4B 108.806 no . . .
C5 C4 H4A 108.792 no . . .
C5 C4 H4B 108.805 no . . .
H4A C4 H4B 107.665 no . . .
Pd1 C7 H7 83.557 no . . .
C6 C7 H7 115.535 no . . .
C8 C7 H7 115.547 no . . .
Pd2 C8 H8 104.431 no . . .
C7 C8 H8 117.508 no . . .
C9 C8 H8 117.502 no . . .
Pd3 C10 H10 101.421 no . . .
C9 C10 H10 116.611 no . . .
C11 C10 H10 116.615 no . . .
Pd3 C11 H11 97.337 no . . .
C10 C11 H11 118.829 no . . .
C12 C11 H11 118.829 no . . .
Pd4 C12 H12 100.126 no . . .
C11 C12 H12 115.987 no . . .
C13 C12 H12 115.989 no . . .
Pd5 C14 H14 98.488 no . . .
C13 C14 H14 116.797 no . . .
C15 C14 H14 116.821 no . . .
Pd5 C15 H15 99.592 no . . .
C14 C15 H15 118.108 no . . .
C16 C15 H15 118.122 no 3_857 . .
Pd5 C16 H16 98.772 no . . .
C15 C16 H16 118.062 no 3_857 . .
C17 C16 H16 118.044 no . . .
Pd5 C17 H17 99.803 no . . .
C16 C17 H17 116.727 no . . .
C18 C17 H17 116.736 no . . .
Pd4 C19 H19 98.165 no . . .
C18 C19 H19 116.545 no . . .
C20 C19 H19 116.541 no . . .
Pd3 C20 H20 97.764 no . . .
C19 C20 H20 118.580 no . . .
C21 C20 H20 118.559 no . . .
Pd3 C21 H21 100.276 no . . .
C20 C21 H21 117.298 no . . .
C22 C21 H21 117.312 no . . .
Pd2 C23 H23 102.414 no . . .
C22 C23 H23 117.856 no . . .
C24 C23 H23 117.878 no . . .
Pd1 C24 H24 87.099 no . . .
C23 C24 H24 115.233 no . . .
C25 C24 H24 115.239 no . . .
C26 C27 H27A 108.970 no . . .
C26 C27 H27B 108.977 no . . .
C28 C27 H27A 108.986 no . . .
C28 C27 H27B 108.984 no . . .
H27A C27 H27B 107.772 no . . .
C27 C28 H28A 109.979 no . . .
C27 C28 H28B 109.968 no . . .
C29 C28 H28A 109.964 no . . .
C29 C28 H28B 109.962 no . . .
H28A C28 H28B 108.342 no . . .
C28 C29 H29A 108.673 no . . .
C28 C29 H29B 108.656 no . . .
C30 C29 H29A 108.672 no . . .
C30 C29 H29B 108.665 no . . .
H29A C29 H29B 107.602 no . . .
C1 C31 H31A 109.481 no . . .
C1 C31 H31B 109.471 no . . .
C1 C31 H31C 109.483 no . . .
H31A C31 H31B 109.458 no . . .
H31A C31 H31C 109.468 no . . .
H31B C31 H31C 109.467 no . . .
C5 C32 H32A 109.469 no . . .
C5 C32 H32B 109.477 no . . .
C5 C32 H32C 109.479 no . . .
H32A C32 H32B 109.473 no . . .
H32A C32 H32C 109.465 no . . .
H32B C32 H32C 109.465 no . . .
C5 C33 H33A 109.460 no . . .
C5 C33 H33B 109.476 no . . .
C5 C33 H33C 109.483 no . . .
H33A C33 H33B 109.463 no . . .
H33A C33 H33C 109.466 no . . .
H33B C33 H33C 109.479 no . . .
C9 C34 H34A 109.464 no . . .
C9 C34 H34B 109.469 no . . .
C9 C34 H34C 109.460 no . . .
H34A C34 H34B 109.481 no . . .
H34A C34 H34C 109.477 no . . .
H34B C34 H34C 109.477 no . . .
C13 C35 H35A 109.469 no . . .
C13 C35 H35B 109.470 no . . .
C13 C35 H35C 109.467 no . . .
H35A C35 H35B 109.479 no . . .
H35A C35 H35C 109.465 no . . .
H35B C35 H35C 109.478 no . . .
C18 C36 H36A 109.465 no . . .
C18 C36 H36B 109.472 no . . .
C18 C36 H36C 109.468 no . . .
H36A C36 H36B 109.465 no . . .
H36A C36 H36C 109.484 no . . .
H36B C36 H36C 109.473 no . . .
C22 C37 H37A 109.470 no . . .
C22 C37 H37B 109.476 no . . .
C22 C37 H37C 109.477 no . . .
H37A C37 H37B 109.466 no . . .
H37A C37 H37C 109.465 no . . .
H37B C37 H37C 109.472 no . . .
C26 C38 H38A 109.475 no . . .
C26 C38 H38B 109.458 no . . .
C26 C38 H38C 109.469 no . . .
H38A C38 H38B 109.483 no . . .
H38A C38 H38C 109.486 no . . .
H38B C38 H38C 109.456 no . . .
C26 C39 H39A 109.477 no . . .
C26 C39 H39B 109.473 no . . .
C26 C39 H39C 109.465 no . . .
H39A C39 H39B 109.466 no . . .
H39A C39 H39C 109.479 no . . .
H39B C39 H39C 109.468 no . . .
C30 C40 H40A 109.468 no . . .
C30 C40 H40B 109.475 no . . .
C30 C40 H40C 109.464 no . . .
H40A C40 H40B 109.479 no . . .
H40A C40 H40C 109.461 no . . .
H40B C40 H40C 109.480 no . . .
C41 C42 H42 118.694 no . . .
C43 C42 H42 118.674 no . . .
C43 C44 H44 120.699 no . . .
C45 C44 H44 120.713 no . . .
C41 C46 H46 118.864 no . . .
C45 C46 H46 118.855 no . . .
C49 C50 H50 118.504 no . . .
C51 C50 H50 118.486 no . . .
C51 C52 H52 120.850 no . . .
C53 C52 H52 120.850 no . . .
C49 C54 H54 118.877 no . . .
C53 C54 H54 118.895 no . . .
C57 C58 H58 119.167 no . . .
C59 C58 H58 119.137 no . . .
C59 C60 H60 120.747 no . . .
C61 C60 H60 120.730 no . . .
C57 C62 H62 118.690 no . . .
C61 C62 H62 118.696 no . . .
C65 C66 H66 119.061 no . . .
C67 C66 H66 119.079 no . . .
C67 C68 H68 120.832 no . . .
C69 C68 H68 120.841 no . . .
C65 C70 H70 118.909 no . . .
C69 C70 H70 118.898 no . . .
C73 C74 H74 118.004 no . . .
C75 C74 H74 118.001 no . . .
C74 C75 H75 121.882 no . . .
C76 C75 H75 121.859 no . . .
C75 C76 H76 119.841 no . . .
C77 C76 H76 119.854 no . . .
C76 C77 H77 119.145 no . . .
C78 C77 H77 119.147 no . . .
C73 C78 H78 120.375 no . . .
C77 C78 H78 120.385 no . . .
C73 C79 H79A 109.483 no . . .
C73 C79 H79B 109.469 no . . .
C73 C79 H79C 109.470 no . . .
H79A C79 H79B 109.463 no . . .
H79A C79 H79C 109.468 no . . .
H79B C79 H79C 109.473 no . . .
C80 C81 H81 121.183 no . . .
C82 C81 H81 121.191 no . . .
C81 C82 H82 117.615 no . . .
C83 C82 H82 117.607 no . . .
C82 C83 H83 122.630 no . . .
C84 C83 H83 122.622 no . . .
C83 C84 H84 121.269 no . . .
C85 C84 H84 121.256 no . . .
C80 C85 H85 117.853 no . . .
C84 C85 H85 117.832 no . . .
C80 C86 H86A 109.470 no . . .
C80 C86 H86B 109.456 no . . .
C80 C86 H86C 109.465 no . . .
H86A C86 H86B 109.470 no . . .
H86A C86 H86C 109.499 no . . .
H86B C86 H86C 109.467 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_1
_geom_bond_site_symmetry_2
Pd1 Pd2 2.7172(6) yes . .
Pd1 C1 2.244(4) yes . .
Pd1 C6 2.203(4) yes . .
Pd1 C7 2.335(4) yes . .
Pd1 C24 2.275(4) yes . .
Pd1 C25 2.201(4) yes . .
Pd1 C30 2.275(4) yes . .
Pd2 Pd3 2.6115(6) yes . .
Pd2 C8 2.141(4) yes . .
Pd2 C9 2.308(4) yes . .
Pd2 C22 2.275(4) yes . .
Pd2 C23 2.149(4) yes . .
Pd3 Pd4 2.5901(6) yes . .
Pd3 C10 2.146(4) yes . .
Pd3 C11 2.241(4) yes . .
Pd3 C20 2.247(4) yes . .
Pd3 C21 2.160(4) yes . .
Pd4 Pd5 2.5882(7) yes . .
Pd4 C12 2.168(4) yes . .
Pd4 C13 2.223(4) yes . .
Pd4 C18 2.250(4) yes . .
Pd4 C19 2.159(4) yes . .
Pd5 Pd5 2.5827(7) yes . 3_857
Pd5 C14 2.195(4) yes . .
Pd5 C15 2.198(4) yes . .
Pd5 C16 2.212(4) yes . .
Pd5 C17 2.179(4) yes . .
F1 C47 1.274(7) yes . .
F2 C47 1.322(8) yes . .
F3 C47 1.297(6) yes . .
F4 C48 1.400(9) yes . .
F5 C48 1.270(8) yes . .
F6 C48 1.272(7) yes . .
F7 C55 1.331(6) yes . .
F8 C55 1.338(7) yes . .
F9 C55 1.332(6) yes . .
F10 C56 1.306(8) yes . .
F11 C56 1.296(7) yes . .
F12 C56 1.302(8) yes . .
F13 C63 1.298(7) yes . .
F14 C63 1.352(6) yes . .
F15 C63 1.314(7) yes . .
F16 C64 1.341(5) yes . .
F17 C64 1.330(5) yes . .
F18 C64 1.333(5) yes . .
F19 C71 1.324(6) yes . .
F20 C71 1.297(6) yes . .
F21 C71 1.351(5) yes . .
F22 C72 1.319(6) yes . .
F23 C72 1.330(5) yes . .
F24 C72 1.332(5) yes . .
C1 C2 1.511(6) yes . .
C1 C6 1.421(5) yes . .
C1 C31 1.512(6) yes . .
C2 C3 1.520(7) yes . .
C3 C4 1.497(7) yes . .
C4 C5 1.544(6) yes . .
C5 C6 1.545(5) yes . .
C5 C32 1.547(6) yes . .
C5 C33 1.535(6) yes . .
C6 C7 1.449(5) yes . .
C7 C8 1.435(5) yes . .
C8 C9 1.422(5) yes . .
C9 C10 1.450(5) yes . .
C9 C34 1.517(5) yes . .
C10 C11 1.412(5) yes . .
C11 C12 1.448(5) yes . .
C12 C13 1.422(5) yes . .
C13 C14 1.449(5) yes . .
C13 C35 1.505(5) yes . .
C14 C15 1.413(5) yes . .
C15 C16 1.443(5) yes . 3_857
C16 C17 1.405(5) yes . .
C17 C18 1.458(5) yes . .
C18 C19 1.419(5) yes . .
C18 C36 1.511(5) yes . .
C19 C20 1.443(5) yes . .
C20 C21 1.411(5) yes . .
C21 C22 1.445(5) yes . .
C22 C23 1.427(5) yes . .
C22 C37 1.518(5) yes . .
C23 C24 1.435(5) yes . .
C24 C25 1.441(5) yes . .
C25 C26 1.548(6) yes . .
C25 C30 1.416(5) yes . .
C26 C27 1.546(6) yes . .
C26 C38 1.524(6) yes . .
C26 C39 1.533(6) yes . .
C27 C28 1.516(7) yes . .
C28 C29 1.505(6) yes . .
C29 C30 1.513(6) yes . .
C30 C40 1.524(6) yes . .
C41 C42 1.400(5) yes . .
C41 C46 1.400(5) yes . .
C41 B1 1.647(6) yes . .
C42 C43 1.388(6) yes . .
C43 C44 1.384(6) yes . .
C43 C47 1.492(7) yes . .
C44 C45 1.383(7) yes . .
C45 C46 1.390(6) yes . .
C45 C48 1.489(8) yes . .
C49 C50 1.398(5) yes . .
C49 C54 1.394(6) yes . .
C49 B1 1.647(6) yes . .
C50 C51 1.388(6) yes . .
C51 C52 1.380(7) yes . .
C51 C55 1.504(7) yes . .
C52 C53 1.390(6) yes . .
C53 C54 1.401(6) yes . .
C53 C56 1.483(7) yes . .
C57 C58 1.403(5) yes . .
C57 C62 1.399(5) yes . .
C57 B1 1.642(6) yes . .
C58 C59 1.393(5) yes . .
C59 C60 1.383(6) yes . .
C59 C63 1.495(6) yes . .
C60 C61 1.372(6) yes . .
C61 C62 1.393(5) yes . .
C61 C64 1.492(6) yes . .
C65 C66 1.398(5) yes . .
C65 C70 1.396(5) yes . .
C65 B1 1.647(5) yes . .
C66 C67 1.398(5) yes . .
C67 C68 1.381(6) yes . .
C67 C71 1.493(6) yes . .
C68 C69 1.389(6) yes . .
C69 C70 1.385(5) yes . .
C69 C72 1.492(6) yes . .
C73 C74 1.364(12) yes . .
C73 C78 1.379(12) yes . .
C73 C79 1.508(13) yes . .
C74 C75 1.389(14) yes . .
C75 C76 1.490(16) yes . .
C76 C77 1.267(15) yes . .
C77 C78 1.475(12) yes . .
C80 C81 1.37(2) yes . .
C80 C85 1.42(3) yes . .
C80 C86 1.40(3) yes . .
C81 C82 1.41(3) yes . .
C82 C83 1.37(3) yes . .
C83 C84 1.452(19) yes . .
C84 C85 1.35(3) yes . .
C2 H2A 0.990 no . .
C2 H2B 0.990 no . .
C3 H3A 0.990 no . .
C3 H3B 0.990 no . .
C4 H4A 0.990 no . .
C4 H4B 0.990 no . .
C7 H7 0.950 no . .
C8 H8 0.950 no . .
C10 H10 0.950 no . .
C11 H11 0.950 no . .
C12 H12 0.950 no . .
C14 H14 0.950 no . .
C15 H15 0.950 no . .
C16 H16 0.950 no . .
C17 H17 0.950 no . .
C19 H19 0.950 no . .
C20 H20 0.950 no . .
C21 H21 0.950 no . .
C23 H23 0.950 no . .
C24 H24 0.950 no . .
C27 H27A 0.990 no . .
C27 H27B 0.990 no . .
C28 H28A 0.990 no . .
C28 H28B 0.990 no . .
C29 H29A 0.990 no . .
C29 H29B 0.990 no . .
C31 H31A 0.980 no . .
C31 H31B 0.980 no . .
C31 H31C 0.980 no . .
C32 H32A 0.980 no . .
C32 H32B 0.980 no . .
C32 H32C 0.980 no . .
C33 H33A 0.980 no . .
C33 H33B 0.980 no . .
C33 H33C 0.980 no . .
C34 H34A 0.980 no . .
C34 H34B 0.980 no . .
C34 H34C 0.980 no . .
C35 H35A 0.980 no . .
C35 H35B 0.980 no . .
C35 H35C 0.980 no . .
C36 H36A 0.980 no . .
C36 H36B 0.980 no . .
C36 H36C 0.980 no . .
C37 H37A 0.980 no . .
C37 H37B 0.980 no . .
C37 H37C 0.980 no . .
C38 H38A 0.980 no . .
C38 H38B 0.980 no . .
C38 H38C 0.980 no . .
C39 H39A 0.980 no . .
C39 H39B 0.980 no . .
C39 H39C 0.980 no . .
C40 H40A 0.980 no . .
C40 H40B 0.980 no . .
C40 H40C 0.980 no . .
C42 H42 0.950 no . .
C44 H44 0.950 no . .
C46 H46 0.950 no . .
C50 H50 0.950 no . .
C52 H52 0.950 no . .
C54 H54 0.950 no . .
C58 H58 0.950 no . .
C60 H60 0.950 no . .
C62 H62 0.950 no . .
C66 H66 0.950 no . .
C68 H68 0.950 no . .
C70 H70 0.950 no . .
C74 H74 0.950 no . .
C75 H75 0.950 no . .
C76 H76 0.950 no . .
C77 H77 0.950 no . .
C78 H78 0.950 no . .
C79 H79A 0.980 no . .
C79 H79B 0.980 no . .
C79 H79C 0.980 no . .
C81 H81 0.950 no . .
C82 H82 0.950 no . .
C83 H83 0.950 no . .
C84 H84 0.950 no . .
C85 H85 0.950 no . .
C86 H86A 0.980 no . .
C86 H86B 0.980 no . .
C86 H86C 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_1
_geom_contact_site_symmetry_2
Pd1 C33 3.425(5) no . .
Pd1 C38 3.340(5) no . .
Pd3 C34 3.429(4) no . .
Pd3 C37 3.364(4) no . .
Pd5 C35 3.505(4) no . .
Pd5 C36 3.451(4) no . .
F1 C42 3.560(6) no . .
F1 C44 2.776(6) no . .
F2 C42 3.208(6) no . .
F2 C44 3.125(7) no . .
F3 C42 2.782(5) no . .
F3 C44 3.594(6) no . .
F4 C44 3.050(7) no . .
F4 C46 3.276(6) no . .
F5 C44 2.751(7) no . .
F5 C46 3.555(6) no . .
F6 C44 3.583(6) no . .
F6 C46 2.746(6) no . .
F7 C50 2.921(5) no . .
F7 C52 3.399(6) no . .
F8 C50 2.911(5) no . .
F8 C52 3.478(6) no . .
F9 C52 2.743(6) no . .
F10 C52 2.909(6) no . .
F10 C54 3.439(7) no . .
F11 C52 2.951(6) no . .
F11 C54 3.409(6) no . .
F12 C54 2.733(8) no . .
F13 C58 2.742(5) no . .
F13 C60 3.595(5) no . .
F14 C58 3.504(5) no . .
F14 C60 2.821(5) no . .
F15 C58 3.355(6) no . .
F15 C60 2.982(6) no . .
F16 C60 2.755(5) no . .
F17 C60 3.331(5) no . .
F17 C62 3.008(5) no . .
F18 C60 3.501(5) no . .
F18 C62 2.856(5) no . .
F19 C66 2.784(5) no . .
F19 C68 3.598(5) no . .
F20 C66 3.283(6) no . .
F20 C68 3.063(6) no . .
F21 C66 3.547(5) no . .
F21 C68 2.791(5) no . .
F22 C70 2.765(6) no . .
F23 C68 2.802(5) no . .
F23 C70 3.520(5) no . .
F24 C68 3.019(5) no . .
F24 C70 3.337(5) no . .
C1 C4 2.860(6) no . .
C2 C5 3.013(6) no . .
C3 C6 2.877(6) no . .
C3 C33 3.253(7) no . .
C5 C8 3.164(5) no . .
C7 C31 2.973(5) no . .
C7 C32 3.075(6) no . .
C7 C33 3.242(6) no . .
C7 C34 3.076(5) no . .
C8 C32 3.242(6) no . .
C8 C33 3.331(6) no . .
C11 C34 3.040(5) no . .
C11 C35 3.130(6) no . .
C15 C35 3.035(5) no . .
C16 C36 3.047(5) no . .
C20 C36 3.095(5) no . .
C20 C37 3.010(5) no . .
C23 C26 3.197(5) no . .
C23 C38 3.442(6) no . .
C23 C39 3.218(6) no . .
C24 C37 3.045(5) no . .
C24 C38 3.291(6) no . .
C24 C39 3.059(6) no . .
C24 C40 2.938(5) no . .
C25 C28 2.900(6) no . .
C26 C29 3.018(6) no . .
C27 C30 2.854(6) no . .
C28 C38 3.173(6) no . .
C30 C38 3.582(6) no . .
C31 C40 3.557(6) no . .
C41 C44 2.842(6) no . .
C41 C54 3.108(6) no . .
C41 C62 2.999(6) no . .
C41 C66 3.501(5) no . .
C41 C70 3.457(5) no . .
C42 C45 2.747(6) no . .
C42 C49 3.363(5) no . .
C42 C54 3.235(6) no . .
C42 C57 3.174(5) no . .
C42 C62 3.209(6) no . .
C43 C46 2.753(6) no . .
C46 C65 2.951(5) no . .
C46 C66 3.481(5) no . .
C46 C70 3.543(6) no . .
C49 C52 2.850(6) no . .
C49 C58 3.111(5) no . .
C49 C66 3.094(5) no . .
C50 C53 2.743(6) no . .
C50 C57 3.467(5) no . .
C50 C58 3.395(6) no . .
C50 C65 3.072(5) no . .
C50 C66 3.083(5) no . .
C51 C54 2.755(6) no . .
C54 C57 3.599(6) no . .
C57 C60 2.844(5) no . .
C57 C70 2.983(5) no . .
C58 C61 2.757(6) no . .
C58 C65 3.420(5) no . .
C59 C62 2.740(5) no . .
C62 C65 3.494(5) no . .
C62 C70 3.395(5) no . .
C65 C68 2.840(5) no . .
C66 C69 2.753(6) no . .
C67 C70 2.753(5) no . .
C73 C76 2.819(14) no . .
C74 C77 2.749(13) no . .
C75 C78 2.796(13) no . .
C80 C83 2.83(2) no . .
C81 C84 2.82(2) no . .
C82 C85 2.69(3) no . .
Pd3 F21 3.546(3) no . 2_646
Pd3 C77 3.470(8) no . .
F1 F10 3.311(8) no . 1_455
F1 F11 3.442(6) no . 1_455
F2 C75 3.475(11) no . 4_454
F3 C27 3.415(6) no . 2_546
F3 C28 3.411(6) no . 2_546
F4 C16 3.461(6) no . 2_656
F5 F11 3.401(6) no . 1_455
F5 C39 3.407(7) no . 4_454
F5 C78 3.493(10) no . 4_354
F5 C82 2.844(17) no . 4_354
F5 C83 3.339(16) no . 4_354
F7 F24 3.005(5) no . 1_655
F8 F18 2.954(5) no . 1_655
F8 F22 3.193(5) no . 1_655
F8 C31 3.598(6) no . .
F8 C34 3.588(5) no . .
F9 F18 3.041(5) no . 1_655
F9 F22 3.451(5) no . 1_655
F9 C46 3.599(5) no . 1_655
F9 C62 3.523(5) no . 1_655
F9 C70 3.338(5) no . 1_655
F10 F1 3.311(8) no . 1_655
F11 F1 3.442(6) no . 1_655
F11 F5 3.401(6) no . 1_655
F11 C44 3.492(6) no . 1_655
F11 C78 3.429(10) no . 4_454
F11 C81 3.488(17) no . 4_454
F11 C82 3.52(2) no . 4_454
F13 C37 3.599(5) no . .
F14 C13 3.559(5) no . 1_455
F14 C35 3.240(5) no . 1_455
F14 C37 3.284(5) no . .
F14 C40 3.427(6) no . .
F15 F20 3.051(6) no . 2_646
F15 F24 3.448(6) no . 2_546
F16 F23 3.051(4) no . 2_546
F16 C34 3.432(5) no . 1_455
F16 C68 3.341(5) no . 2_546
F17 F23 3.004(4) no . 2_546
F17 C2 3.350(5) no . 2_546
F17 C3 3.411(6) no . 2_546
F17 C28 3.243(6) no . 2_546
F17 C29 3.415(5) no . 2_546
F18 F8 2.954(5) no . 1_455
F18 F9 3.041(5) no . 1_455
F18 C34 3.589(5) no . 1_455
F18 C51 3.537(5) no . 1_455
F18 C55 3.314(6) no . 1_455
F19 C36 3.578(5) no . 2_656
F19 C37 3.574(5) no . 2_656
F20 F15 3.051(6) no . 2_656
F21 Pd3 3.546(3) no . 2_656
F21 C20 3.550(5) no . 2_656
F21 C37 3.494(5) no . 2_656
F22 F8 3.193(5) no . 1_455
F22 F9 3.451(5) no . 1_455
F23 F16 3.051(4) no . 2_556
F23 F17 3.004(4) no . 2_556
F23 C29 3.352(5) no . .
F23 C32 3.169(6) no . 1_455
F23 C60 3.576(5) no . 2_556
F23 C64 3.408(5) no . 2_556
F24 F7 3.005(5) no . 1_455
F24 F15 3.448(6) no . 2_556
C2 F17 3.350(5) no . 2_556
C3 F17 3.411(6) no . 2_556
C4 C58 3.589(6) no . 2_656
C13 F14 3.559(5) no . 1_655
C14 C37 3.494(6) no . 1_655
C15 C37 3.536(6) no . 1_655
C16 F4 3.461(6) no . 2_646
C19 C36 3.447(6) no . 3_757
C19 C82 3.562(19) no . .
C20 F21 3.550(5) no . 2_646
C27 F3 3.415(6) no . 2_556
C28 F3 3.411(6) no . 2_556
C28 F17 3.243(6) no . 2_556
C29 F17 3.415(5) no . 2_556
C29 F23 3.352(5) no . .
C31 F8 3.598(6) no . .
C32 F23 3.169(6) no . 1_655
C34 F8 3.588(5) no . .
C34 F16 3.432(5) no . 1_655
C34 F18 3.589(5) no . 1_655
C35 F14 3.240(5) no . 1_655
C36 F19 3.578(5) no . 2_646
C36 C19 3.447(6) no . 3_757
C37 F13 3.599(5) no . .
C37 F14 3.284(5) no . .
C37 F19 3.574(5) no . 2_646
C37 F21 3.494(5) no . 2_646
C37 C14 3.494(6) no . 1_455
C37 C15 3.536(6) no . 1_455
C39 F5 3.407(7) no . 4_555
C40 F14 3.427(6) no . .
C44 F11 3.492(6) no . 1_455
C46 F9 3.599(5) no . 1_455
C51 F18 3.537(5) no . 1_655
C54 C84 3.544(11) no . 4_454
C55 F18 3.314(6) no . 1_655
C58 C4 3.589(6) no . 2_646
C60 F23 3.576(5) no . 2_546
C62 F9 3.523(5) no . 1_455
C64 F23 3.408(5) no . 2_546
C68 F16 3.341(5) no . 2_556
C70 F9 3.338(5) no . 1_455
C75 F2 3.475(11) no . 4_555
C77 Pd3 3.470(8) no . .
C78 F5 3.493(10) no . 4_655
C78 F11 3.429(10) no . 4_555
C81 F11 3.488(17) no . 4_555
C82 F5 2.844(17) no . 4_655
C82 F11 3.52(2) no . 4_555
C82 C19 3.562(19) no . .
C83 F5 3.339(16) no . 4_655
C84 C54 3.544(11) no . 4_555
Pd1 H2A 3.3541 no . .
Pd1 H3B 3.2905 no . .
Pd1 H23 3.4552 no . .
Pd1 H28B 3.4926 no . .
Pd1 H29A 3.4272 no . .
Pd1 H31A 2.8350 no . .
Pd1 H31C 3.2585 no . .
Pd1 H33A 3.2762 no . .
Pd1 H33B 3.1752 no . .
Pd1 H38B 3.0661 no . .
Pd1 H38C 3.1760 no . .
Pd1 H40B 2.6856 no . .
Pd1 H40C 3.3207 no . .
Pd2 H7 2.7214 no . .
Pd2 H10 3.3085 no . .
Pd2 H21 3.1795 no . .
Pd2 H24 2.7587 no . .
Pd2 H33A 3.1849 no . .
Pd2 H34B 3.0017 no . .
Pd2 H34C 3.3905 no . .
Pd2 H37A 3.2473 no . .
Pd2 H37C 3.0288 no . .
Pd2 H38C 3.5348 no . .
Pd3 H12 3.2196 no . .
Pd3 H19 3.1740 no . .
Pd3 H34C 3.0941 no . .
Pd3 H37C 2.9801 no . .
Pd4 H11 3.0475 no . .
Pd4 H14 3.0482 no . .
Pd4 H17 3.1279 no . .
Pd4 H20 3.0192 no . .
Pd4 H35B 3.0561 no . .
Pd4 H35C 3.1749 no . .
Pd4 H36A 3.0762 no . .
Pd4 H36C 3.1518 no . .
Pd5 H15 3.1174 no . 3_857
Pd5 H16 3.0647 no . 3_857
Pd5 H35C 3.0872 no . .
Pd5 H36C 3.0364 no . .
F1 H44 2.5194 no . .
F2 H42 3.2789 no . .
F2 H44 3.1630 no . .
F3 H42 2.4686 no . .
F4 H44 3.0360 no . .
F4 H46 3.3818 no . .
F5 H44 2.4949 no . .
F6 H46 2.4284 no . .
F7 H50 2.7969 no . .
F8 H50 2.7040 no . .
F9 H52 2.4355 no . .
F10 H52 2.7870 no . .
F11 H52 2.8445 no . .
F11 H54 3.5696 no . .
F12 H54 2.4046 no . .
F13 H58 2.4198 no . .
F14 H60 2.6243 no . .
F15 H58 3.5035 no . .
F15 H60 2.9116 no . .
F16 H60 2.4510 no . .
F17 H60 3.4977 no . .
F17 H62 2.9265 no . .
F18 H62 2.6292 no . .
F19 H66 2.4748 no . .
F20 H66 3.3944 no . .
F20 H68 3.0584 no . .
F21 H68 2.5605 no . .
F22 H70 2.4440 no . .
F23 H68 2.5840 no . .
F24 H68 2.9755 no . .
F24 H70 3.4778 no . .
C1 H3A 3.3777 no . .
C1 H3B 2.8130 no . .
C1 H4B 3.0508 no . .
C1 H7 2.5284 no . .
C1 H29A 3.4604 no . .
C1 H32C 3.4800 no . .
C2 H4A 3.2965 no . .
C2 H4B 2.5805 no . .
C2 H28B 3.4502 no . .
C2 H29A 3.0427 no . .
C2 H31A 3.3302 no . .
C2 H31B 2.7933 no . .
C2 H31C 2.6057 no . .
C3 H28B 3.0905 no . .
C3 H33B 2.9263 no . .
C4 H2A 3.2924 no . .
C4 H2B 2.6942 no . .
C4 H32A 3.3107 no . .
C4 H32B 2.5596 no . .
C4 H32C 2.6754 no . .
C4 H33A 3.3568 no . .
C4 H33B 2.6335 no . .
C4 H33C 2.7574 no . .
C5 H2B 3.4517 no . .
C5 H3A 3.3957 no . .
C5 H3B 2.7201 no . .
C5 H7 3.4349 no . .
C5 H8 2.8641 no . .
C6 H2A 3.2634 no . .
C6 H2B 3.0632 no . .
C6 H3B 3.0239 no . .
C6 H4A 3.3708 no . .
C6 H4B 2.8725 no . .
C6 H8 2.7983 no . .
C6 H31A 2.7196 no . .
C6 H31B 2.9867 no . .
C6 H31C 3.3401 no . .
C6 H32A 2.7519 no . .
C6 H32B 3.3473 no . .
C6 H32C 2.6063 no . .
C6 H33A 2.6947 no . .
C6 H33B 2.8673 no . .
C6 H33C 3.4022 no . .
C7 H31A 2.5954 no . .
C7 H31B 3.4021 no . .
C7 H32A 2.8488 no . .
C7 H32C 3.1889 no . .
C7 H33A 2.8892 no . .
C7 H34A 3.4660 no . .
C7 H34B 2.7079 no . .
C8 H10 2.5769 no . .
C8 H32A 2.6035 no . .
C8 H32C 3.5844 no . .
C8 H33A 2.6439 no . .
C8 H34A 3.0002 no . .
C8 H34B 2.6814 no . .
C8 H34C 3.3220 no . .
C9 H7 2.6781 no . .
C9 H11 2.7579 no . .
C10 H8 2.5809 no . .
C10 H12 2.6414 no . .
C10 H34A 2.9100 no . .
C10 H34B 3.3357 no . .
C10 H34C 2.6679 no . .
C11 H34A 3.3027 no . .
C11 H34C 2.7182 no . .
C11 H35B 2.7218 no . .
C12 H10 2.6388 no . .
C12 H14 2.5720 no . .
C12 H35A 3.0510 no . .
C12 H35B 2.6379 no . .
C12 H35C 3.2820 no . .
C13 H11 2.7969 no . .
C13 H15 2.7402 no . .
C14 H12 2.5496 no . .
C14 H16 2.6973 no . 3_857
C14 H35A 2.8748 no . .
C14 H35B 3.3433 no . .
C14 H35C 2.7016 no . .
C15 H17 2.6604 no . 3_857
C15 H35A 3.1900 no . .
C15 H35C 2.7935 no . .
C16 H14 2.6679 no . 3_857
C16 H36B 3.1526 no . .
C16 H36C 2.8505 no . .
C17 H15 2.6948 no . 3_857
C17 H19 2.5655 no . .
C17 H36A 3.3620 no . .
C17 H36B 2.8590 no . .
C17 H36C 2.7379 no . .
C18 H16 2.7398 no . .
C18 H20 2.7662 no . .
C19 H17 2.5832 no . .
C19 H21 2.6555 no . .
C19 H36A 2.6261 no . .
C19 H36B 3.0795 no . .
C19 H36C 3.2647 no . .
C20 H36A 2.6681 no . .
C20 H37B 2.8889 no . .
C20 H37C 3.0255 no . .
C21 H19 2.6548 no . .
C21 H23 2.5991 no . .
C21 H37A 3.3540 no . .
C21 H37B 2.7365 no . .
C21 H37C 2.8445 no . .
C22 H20 2.7243 no . .
C22 H24 2.6667 no . .
C23 H21 2.5971 no . .
C23 H37A 2.6093 no . .
C23 H37B 3.1857 no . .
C23 H37C 3.1949 no . .
C23 H38C 2.7909 no . .
C23 H39B 2.5992 no . .
C23 H39C 3.4742 no . .
C24 H37A 2.5882 no . .
C24 H38C 2.9824 no . .
C24 H39B 2.8714 no . .
C24 H39C 3.1129 no . .
C24 H40A 3.2676 no . .
C24 H40B 2.6092 no . .
C25 H23 2.8127 no . .
C25 H27A 2.8374 no . .
C25 H27B 3.3790 no . .
C25 H28B 3.0855 no . .
C25 H29A 3.2599 no . .
C25 H29B 3.0851 no . .
C25 H38A 3.3946 no . .
C25 H38B 2.8073 no . .
C25 H38C 2.7066 no . .
C25 H39A 3.3571 no . .
C25 H39B 2.7857 no . .
C25 H39C 2.6161 no . .
C25 H40A 2.9458 no . .
C25 H40B 2.7505 no . .
C25 H40C 3.3550 no . .
C26 H23 2.9329 no . .
C26 H24 3.4336 no . .
C26 H28A 3.4021 no . .
C26 H28B 2.7265 no . .
C26 H29B 3.5025 no . .
C27 H29A 3.3037 no . .
C27 H29B 2.7393 no . .
C27 H38A 2.7053 no . .
C27 H38B 2.6379 no . .
C27 H38C 3.3450 no . .
C27 H39A 2.5515 no . .
C27 H39B 3.3143 no . .
C27 H39C 2.7099 no . .
C28 H2A 3.4396 no . .
C28 H3B 3.2163 no . .
C28 H38A 3.5872 no . .
C28 H38B 2.8272 no . .
C29 H2A 2.9787 no . .
C29 H27A 2.6095 no . .
C29 H27B 3.3082 no . .
C29 H40A 2.8770 no . .
C29 H40B 3.3249 no . .
C29 H40C 2.5692 no . .
C30 H2A 3.4369 no . .
C30 H24 2.5117 no . .
C30 H27A 3.0283 no . .
C30 H28A 3.3717 no . .
C30 H28B 2.8428 no . .
C30 H31C 3.5004 no . .
C30 H38B 3.4983 no . .
C30 H39C 3.5931 no . .
C31 H2A 2.7044 no . .
C31 H2B 2.6538 no . .
C31 H7 2.5552 no . .
C31 H40B 3.3292 no . .
C31 H40C 3.1058 no . .
C32 H4A 2.7829 no . .
C32 H4B 2.4414 no . .
C32 H8 2.8374 no . .
C32 H33A 2.8215 no . .
C32 H33B 3.3654 no . .
C32 H33C 2.6220 no . .
C33 H3B 2.9626 no . .
C33 H4A 2.5398 no . .
C33 H4B 3.3245 no . .
C33 H8 2.7535 no . .
C33 H32A 2.6850 no . .
C33 H32B 2.7558 no . .
C33 H32C 3.3728 no . .
C33 H38B 3.1071 no . .
C33 H38C 3.3898 no . .
C34 H7 2.7288 no . .
C34 H8 3.4010 no . .
C34 H10 3.3840 no . .
C34 H11 2.7356 no . .
C34 H37C 3.4655 no . .
C35 H11 2.8601 no . .
C35 H12 3.3845 no . .
C35 H14 3.3896 no . .
C35 H15 2.7116 no . .
C36 H16 2.7201 no . .
C36 H17 3.4022 no . .
C36 H19 3.3938 no . .
C36 H20 2.8043 no . .
C37 H20 2.6778 no . .
C37 H21 3.4004 no . .
C37 H23 3.4076 no . .
C37 H24 2.6894 no . .
C38 H23 2.8738 no . .
C38 H27A 3.3247 no . .
C38 H27B 2.5568 no . .
C38 H28B 2.8565 no . .
C38 H33B 2.8717 no . .
C38 H39A 2.7358 no . .
C38 H39B 2.6320 no . .
C38 H39C 3.3404 no . .
C39 H23 2.8702 no . .
C39 H27A 2.5058 no . .
C39 H27B 2.7430 no . .
C39 H38A 2.6134 no . .
C39 H38B 3.3400 no . .
C39 H38C 2.7519 no . .
C40 H24 2.4918 no . .
C40 H29A 2.7175 no . .
C40 H29B 2.6605 no . .
C40 H31A 3.3817 no . .
C40 H31C 3.0458 no . .
C41 H54 2.7449 no . .
C41 H62 2.5943 no . .
C41 H66 3.5539 no . .
C41 H70 3.4871 no . .
C42 H44 3.2656 no . .
C42 H46 3.2328 no . .
C42 H54 2.5267 no . .
C42 H62 2.7461 no . .
C43 H54 3.4995 no . .
C43 H62 3.5964 no . .
C44 H42 3.2523 no . .
C44 H46 3.2565 no . .
C46 H42 3.2318 no . .
C46 H44 3.2692 no . .
C46 H62 3.3480 no . .
C47 H42 2.6338 no . .
C47 H44 2.6475 no . .
C48 H44 2.6325 no . .
C48 H46 2.6429 no . .
C49 H42 3.2301 no . .
C49 H58 2.7743 no . .
C49 H66 2.7377 no . .
C50 H52 3.2649 no . .
C50 H54 3.2257 no . .
C50 H58 2.7109 no . .
C50 H66 2.6680 no . .
C51 H66 3.5997 no . .
C52 H50 3.2489 no . .
C52 H54 3.2707 no . .
C54 H42 2.9612 no . .
C54 H50 3.2231 no . .
C54 H52 3.2847 no . .
C55 H50 2.5934 no . .
C55 H52 2.6960 no . .
C56 H52 2.6358 no . .
C56 H54 2.6555 no . .
C57 H42 2.9460 no . .
C57 H50 3.4288 no . .
C57 H70 2.5983 no . .
C58 H50 3.2357 no . .
C58 H60 3.2759 no . .
C58 H62 3.2340 no . .
C58 H70 3.3270 no . .
C60 H58 3.2644 no . .
C60 H62 3.2471 no . .
C61 H70 3.4847 no . .
C62 H42 3.0486 no . .
C62 H58 3.2361 no . .
C62 H60 3.2628 no . .
C62 H70 2.6928 no . .
C63 H58 2.6431 no . .
C63 H60 2.6384 no . .
C64 H60 2.6781 no . .
C64 H62 2.5934 no . .
C65 H46 2.5262 no . .
C65 H50 2.7176 no . .
C65 H58 3.4492 no . .
C65 H62 3.5673 no . .
C66 H46 2.8388 no . .
C66 H50 2.7021 no . .
C66 H68 3.2762 no . .
C66 H70 3.2351 no . .
C67 H46 3.5710 no . .
C68 H66 3.2631 no . .
C68 H70 3.2602 no . .
C70 H46 3.0450 no . .
C70 H62 3.4538 no . .
C70 H66 3.2360 no . .
C70 H68 3.2717 no . .
C71 H66 2.6600 no . .
C71 H68 2.6322 no . .
C72 H68 2.6204 no . .
C72 H70 2.6610 no . .
C73 H75 3.2855 no . .
C73 H77 3.3086 no . .
C74 H76 3.3055 no . .
C74 H78 3.2196 no . .
C74 H79A 3.2709 no . .
C74 H79B 2.8007 no . .
C74 H79C 2.6646 no . .
C75 H77 3.2608 no . .
C76 H74 3.3095 no . .
C76 H78 3.2353 no . .
C77 H75 3.2458 no . .
C78 H74 3.2075 no . .
C78 H76 3.2620 no . .
C78 H79A 2.5911 no . .
C78 H79B 3.0731 no . .
C78 H79C 3.2077 no . .
C79 H74 2.5967 no . .
C79 H78 2.7015 no . .
C80 H82 3.2262 no . .
C80 H84 3.2950 no . .
C81 H83 3.3075 no . .
C81 H85 3.2388 no . .
C81 H86A 2.4358 no . .
C81 H86B 3.0758 no . .
C81 H86C 2.9894 no . .
C82 H84 3.2296 no . .
C83 H81 3.3066 no . .
C83 H85 3.2439 no . .
C84 H82 3.2228 no . .
C85 H81 3.2653 no . .
C85 H83 3.2452 no . .
C85 H86A 3.2684 no . .
C85 H86B 2.6734 no . .
C85 H86C 2.7594 no . .
C86 H81 2.5999 no . .
C86 H85 2.6366 no . .
B1 H42 2.7763 no . .
B1 H46 2.8086 no . .
B1 H50 2.7541 no . .
B1 H54 2.8220 no . .
B1 H58 2.7985 no . .
B1 H62 2.7834 no . .
B1 H66 2.7976 no . .
B1 H70 2.7749 no . .
H2A H3A 2.4087 no . .
H2A H3B 2.3341 no . .
H2A H4B 3.5120 no . .
H2A H28B 2.9900 no . .
H2A H29A 2.1586 no . .
H2A H31A 3.5280 no . .
H2A H31B 3.1451 no . .
H2A H31C 2.4429 no . .
H2A H40C 3.4862 no . .
H2B H3A 2.3216 no . .
H2B H3B 2.8656 no . .
H2B H4A 3.5497 no . .
H2B H4B 2.4597 no . .
H2B H31A 3.5840 no . .
H2B H31B 2.5926 no . .
H2B H31C 2.7837 no . .
H3A H4A 2.3111 no . .
H3A H4B 2.3739 no . .
H3A H28B 3.3686 no . .
H3B H4A 2.3888 no . .
H3B H4B 2.8515 no . .
H3B H28B 2.2736 no . .
H3B H29A 3.3869 no . .
H3B H33B 2.3698 no . .
H3B H33C 3.4992 no . .
H3B H38B 2.7012 no . .
H4A H32B 2.5509 no . .
H4A H32C 3.1920 no . .
H4A H33A 3.4894 no . .
H4A H33B 2.6278 no . .
H4A H33C 2.4493 no . .
H4B H32A 3.3986 no . .
H4B H32B 2.5213 no . .
H4B H32C 2.3219 no . .
H4B H33B 3.5816 no . .
H4B H33C 3.4995 no . .
H7 H8 2.8460 no . .
H7 H24 3.5556 no . .
H7 H31A 1.9192 no . .
H7 H31B 3.0280 no . .
H7 H31C 3.3445 no . .
H7 H34A 3.1451 no . .
H7 H34B 2.1034 no . .
H7 H34C 3.5451 no . .
H7 H40B 3.5572 no . .
H8 H10 2.3341 no . .
H8 H32A 2.1069 no . .
H8 H32B 3.5258 no . .
H8 H32C 3.4036 no . .
H8 H33A 2.0050 no . .
H8 H33B 3.4886 no . .
H8 H33C 3.2466 no . .
H10 H11 2.8455 no . .
H10 H12 2.4219 no . .
H10 H34C 3.5983 no . .
H11 H12 2.8697 no . .
H11 H34A 2.9773 no . .
H11 H34C 2.1708 no . .
H11 H35A 3.3297 no . .
H11 H35B 2.1974 no . .
H12 H14 2.3024 no . .
H12 H35B 3.5681 no . .
H14 H15 2.8433 no . .
H14 H16 2.4980 no . 3_857
H15 H16 2.8769 no . 3_857
H15 H17 2.4936 no . 3_857
H15 H35A 2.7965 no . .
H15 H35C 2.2659 no . .
H16 H17 2.8353 no . .
H16 H36B 2.7454 no . .
H16 H36C 2.3303 no . .
H17 H19 2.3216 no . .
H19 H20 2.8683 no . .
H19 H21 2.4527 no . .
H19 H36A 3.5600 no . .
H20 H21 2.8485 no . .
H20 H36A 2.1220 no . .
H20 H36B 3.3127 no . .
H20 H36C 3.5516 no . .
H20 H37B 2.4293 no . .
H20 H37C 2.5432 no . .
H21 H23 2.3690 no . .
H23 H24 2.8446 no . .
H23 H37A 3.5378 no . .
H23 H38A 3.4308 no . .
H23 H38B 3.5583 no . .
H23 H38C 2.1203 no . .
H23 H39B 2.1316 no . .
H23 H39C 3.3669 no . .
H24 H37A 2.0159 no . .
H24 H37B 3.4431 no . .
H24 H37C 3.1980 no . .
H24 H40A 2.8146 no . .
H24 H40B 1.9244 no . .
H24 H40C 3.3636 no . .
H27A H28A 2.3911 no . .
H27A H28B 2.8668 no . .
H27A H29A 3.5480 no . .
H27A H29B 2.5284 no . .
H27A H38A 3.4993 no . .
H27A H38B 3.5859 no . .
H27A H39A 2.5880 no . .
H27A H39B 3.4589 no . .
H27A H39C 2.4048 no . .
H27B H28A 2.3323 no . .
H27B H28B 2.4016 no . .
H27B H29B 3.5861 no . .
H27B H38A 2.4086 no . .
H27B H38B 2.7145 no . .
H27B H38C 3.4948 no . .
H27B H39A 2.4829 no . .
H27B H39B 3.5727 no . .
H27B H39C 3.1698 no . .
H28A H29A 2.4119 no . .
H28A H29B 2.2838 no . .
H28B H29A 2.2959 no . .
H28B H29B 2.8470 no . .
H28B H38A 3.3131 no . .
H28B H38B 2.2399 no . .
H29A H31C 3.1556 no . .
H29A H40A 3.2483 no . .
H29A H40B 3.4842 no . .
H29A H40C 2.4219 no . .
H29B H40A 2.6930 no . .
H29B H40B 3.5963 no . .
H29B H40C 2.6932 no . .
H31A H34B 3.3551 no . .
H31A H40B 2.8975 no . .
H31A H40C 3.1152 no . .
H31C H40B 3.0395 no . .
H31C H40C 2.3921 no . .
H32A H33A 2.6296 no . .
H32A H33C 2.7970 no . .
H32B H33A 3.1990 no . .
H32B H33B 3.5755 no . .
H32B H33C 2.4928 no . .
H32C H33C 3.5506 no . .
H33A H38B 3.3280 no . .
H33A H38C 3.1409 no . .
H33B H38A 3.3965 no . .
H33B H38B 2.1816 no . .
H33B H38C 2.7469 no . .
H34B H37C 3.3150 no . .
H34C H37C 2.9380 no . .
H35C H36C 3.0897 no . .
H37A H40B 3.3224 no . .
H38A H39A 2.4931 no . .
H38A H39B 2.7816 no . .
H38A H39C 3.5429 no . .
H38B H39A 3.5762 no . .
H38B H39B 3.5639 no . .
H38C H39A 3.1408 no . .
H38C H39B 2.5300 no . .
H38C H39C 3.5976 no . .
H42 H54 2.2474 no . .
H42 H62 2.8161 no . .
H46 H66 3.0957 no . .
H46 H70 3.4261 no . .
H50 H58 2.5300 no . .
H50 H66 2.5176 no . .
H62 H70 2.7919 no . .
H74 H75 2.3372 no . .
H74 H79A 3.5208 no . .
H74 H79B 2.7615 no . .
H74 H79C 2.5223 no . .
H75 H76 2.4644 no . .
H76 H77 2.2037 no . .
H77 H78 2.4189 no . .
H78 H79A 2.4084 no . .
H78 H79B 3.2563 no . .
H78 H79C 3.4511 no . .
H81 H82 2.3449 no . .
H81 H86A 2.2560 no . .
H81 H86B 3.3326 no . .
H81 H86C 3.1885 no . .
H82 H83 2.3393 no . .
H83 H84 2.4760 no . .
H84 H85 2.2913 no . .
H85 H86A 3.5664 no . .
H85 H86B 2.5909 no . .
H85 H86C 2.7589 no . .
Pd2 H76 3.4939 no . .
Pd2 H86C 3.1926 no . .
Pd3 H77 3.3267 no . .
Pd3 H81 3.5394 no . .
Pd4 H78 3.4871 no . .
Pd4 H82 3.2827 no . .
F1 H27B 2.9667 no . 2_546
F1 H38A 3.1096 no . 4_454
F2 H38A 3.0867 no . 4_454
F2 H75 2.7673 no . 4_454
F2 H86B 2.9275 no . 4_454
F3 H27A 3.4261 no . 2_546
F3 H27B 2.8973 no . 2_546
F3 H28A 2.6613 no . 2_546
F3 H33C 2.8093 no . 2_646
F4 H14 3.1532 no . 4_354
F4 H16 2.5278 no . 2_656
F4 H21 3.5442 no . 4_454
F4 H23 3.5755 no . 4_454
F4 H36B 3.5596 no . 2_656
F4 H36C 3.0751 no . 2_656
F4 H39B 2.8618 no . 4_454
F4 H74 3.3479 no . 4_454
F4 H85 3.2641 no . 4_454
F5 H39A 3.0748 no . 4_454
F5 H39B 3.0973 no . 4_454
F5 H39C 3.5020 no . 4_454
F5 H78 2.6955 no . 4_354
F5 H79A 2.9900 no . 4_354
F5 H82 2.2539 no . 4_354
F5 H83 3.1189 no . 4_354
F6 H15 3.5818 no . 2_656
F6 H16 3.3036 no . 2_656
F6 H35C 3.0716 no . 2_656
F6 H36C 2.7651 no . 2_656
F7 H31B 3.1466 no . .
F8 H7 3.2099 no . .
F8 H31A 3.0704 no . .
F8 H31B 3.2152 no . .
F8 H34A 3.1490 no . .
F8 H34B 3.1198 no . .
F9 H46 3.5557 no . 1_655
F9 H62 2.8725 no . 1_655
F9 H70 2.8333 no . 1_655
F10 H3A 3.5116 no . 2_646
F10 H3B 2.9394 no . 2_646
F10 H28B 2.9438 no . 2_646
F10 H33B 3.5869 no . 2_646
F10 H38A 3.5606 no . 2_646
F10 H38B 3.0175 no . 2_646
F11 H39A 3.2886 no . 4_554
F11 H44 2.9731 no . 1_655
F11 H78 3.4660 no . 4_454
F12 H33B 3.4286 no . 2_646
F12 H86B 3.5904 no . 4_454
F13 H4B 3.5580 no . 2_646
F13 H24 3.4078 no . .
F13 H34B 3.0700 no . .
F13 H37A 2.9753 no . .
F13 H37C 3.3133 no . .
F13 H40B 2.9711 no . .
F14 H24 3.0248 no . .
F14 H35A 2.5117 no . 1_455
F14 H35B 3.3845 no . 1_455
F14 H37A 2.4064 no . .
F14 H37B 3.5538 no . .
F14 H37C 3.5406 no . .
F14 H40A 3.1494 no . .
F14 H40B 2.8086 no . .
F15 H2B 3.1537 no . 2_646
F15 H4B 2.8105 no . 2_646
F15 H32C 3.3402 no . 2_646
F15 H35A 3.3414 no . 1_455
F15 H37A 3.5884 no . .
F16 H2A 3.1548 no . 2_546
F16 H2B 3.3580 no . 2_546
F16 H34A 3.0724 no . 1_455
F16 H34C 2.9923 no . 1_455
F16 H68 2.4689 no . 2_546
F17 H2A 2.6284 no . 2_546
F17 H3A 2.9698 no . 2_546
F17 H3B 3.4224 no . 2_546
F17 H28A 2.8501 no . 2_546
F17 H28B 3.0593 no . 2_546
F17 H29A 2.7548 no . 2_546
F17 H32B 3.3656 no . 2_646
F18 H3A 2.8959 no . 2_546
F18 H34A 2.9594 no . 1_455
F18 H34B 3.5715 no . 1_455
F18 H52 3.4590 no . 1_455
F19 H20 2.8452 no . 2_656
F19 H36A 2.6564 no . 2_656
F19 H37B 3.0309 no . 2_656
F19 H37C 3.1977 no . 2_656
F19 H79B 3.0753 no . 4_454
F19 H79C 3.5428 no . 4_454
F19 H84 3.5462 no . 4_454
F20 H2B 3.0270 no . .
F20 H31B 3.1798 no . .
F20 H37B 3.5080 no . 2_656
F20 H37C 2.9603 no . 2_656
F21 H11 2.9591 no . 2_656
F21 H20 2.7433 no . 2_656
F21 H34C 2.9225 no . 2_656
F21 H35B 3.1238 no . 2_656
F21 H36A 2.9722 no . 2_656
F21 H37B 3.5110 no . 2_656
F21 H37C 2.6645 no . 2_656
F22 H29B 3.4652 no . .
F22 H32A 3.3430 no . 1_455
F22 H32C 3.2143 no . 1_455
F22 H34A 3.3195 no . 1_455
F22 H40C 3.1155 no . .
F23 H2A 3.4185 no . .
F23 H29A 2.6269 no . .
F23 H29B 3.1689 no . .
F23 H32A 3.0066 no . 1_455
F23 H32B 3.3542 no . 1_455
F23 H32C 2.6583 no . 1_455
F23 H40C 3.4616 no . .
F23 H60 3.1520 no . 2_556
F24 H32C 2.9605 no . 1_455
F24 H60 3.2163 no . 2_556
C4 H58 3.5806 no . 2_656
C8 H29B 3.4392 no . 1_655
C9 H40A 3.5626 no . 1_655
C10 H29B 3.4821 no . 1_655
C10 H40A 2.9368 no . 1_655
C10 H77 3.2186 no . .
C11 H40A 3.0636 no . 1_655
C12 H39C 3.1429 no . 1_655
C12 H40A 3.4495 no . 1_655
C13 H37A 3.4729 no . 1_655
C13 H37B 3.5678 no . 1_655
C14 H37A 3.3747 no . 1_655
C14 H37B 2.9751 no . 1_655
C15 H37B 2.7208 no . 1_655
C16 H37B 3.2025 no . 3_757
C17 H36B 3.5320 no . 3_757
C17 H79B 3.3929 no . .
C18 H36B 3.1505 no . 3_757
C19 H36B 2.6031 no . 3_757
C19 H79B 3.3145 no . .
C20 H36B 3.1643 no . 3_757
C21 H16 3.4732 no . 3_757
C21 H36B 3.5635 no . 3_757
C21 H86C 3.3361 no . .
C22 H14 3.5449 no . 1_455
C23 H14 3.4864 no . 1_455
C23 H86C 3.0652 no . .
C24 H12 3.4558 no . 1_455
C25 H12 3.4509 no . 1_455
C27 H77 3.3668 no . 1_455
C29 H32A 3.2411 no . 1_455
C31 H50 3.1882 no . .
C32 H28A 3.5745 no . 1_655
C32 H29B 3.3518 no . 1_655
C33 H76 3.1375 no . .
C33 H86A 3.4492 no . .
C36 H19 3.3831 no . 3_757
C36 H79B 3.2648 no . 3_757
C36 H84 3.4405 no . 3_757
C38 H75 3.4317 no . .
C38 H86C 3.3267 no . .
C39 H12 3.1081 no . 1_455
C39 H14 3.5579 no . 1_455
C39 H44 3.1411 no . 4_555
C39 H77 3.2822 no . 1_455
C39 H78 3.3680 no . 1_455
C39 H81 3.0925 no . 1_455
C39 H82 3.5894 no . 1_455
C41 H74 2.9656 no . 4_454
C41 H84 3.4200 no . 4_454
C41 H85 3.2648 no . 4_454
C42 H74 3.2766 no . 4_454
C42 H85 3.3047 no . 4_454
C43 H74 3.4171 no . 4_454
C43 H75 3.1525 no . 4_454
C43 H85 3.1935 no . 4_454
C44 H39A 3.4481 no . 4_454
C44 H52 3.5261 no . 1_455
C44 H74 3.2629 no . 4_454
C44 H75 3.0148 no . 4_454
C44 H85 3.0198 no . 4_454
C45 H52 3.5188 no . 1_455
C45 H74 2.9406 no . 4_454
C45 H75 3.5812 no . 4_454
C45 H85 2.9597 no . 4_454
C46 H74 2.7535 no . 4_454
C46 H84 3.0911 no . 4_454
C46 H85 3.0573 no . 4_454
C47 H27B 3.4659 no . 2_546
C47 H75 3.4539 no . 4_454
C48 H16 3.5528 no . 2_656
C48 H36C 3.5427 no . 2_656
C48 H39B 3.5731 no . 4_454
C48 H82 3.4094 no . 4_354
C49 H4A 3.3527 no . 2_646
C49 H79C 2.9195 no . 4_454
C49 H84 3.5839 no . 4_454
C50 H79C 3.1716 no . 4_454
C51 H79C 3.4224 no . 4_454
C52 H3A 3.4986 no . 2_646
C52 H79C 3.4628 no . 4_454
C53 H3A 3.5020 no . 2_646
C53 H4A 3.4060 no . 2_646
C53 H79C 3.2234 no . 4_454
C54 H4A 2.9677 no . 2_646
C54 H74 3.4583 no . 4_454
C54 H79C 2.9181 no . 4_454
C57 H4A 3.4416 no . 2_646
C58 H4A 3.2816 no . 2_646
C58 H4B 2.9538 no . 2_646
C59 H4B 2.9777 no . 2_646
C59 H40B 3.5183 no . .
C60 H32B 3.4608 no . 2_646
C60 H32C 3.4104 no . 2_646
C61 H32B 3.2777 no . 2_646
C61 H34A 3.5869 no . 1_455
C62 H32B 3.3515 no . 2_646
C63 H4B 3.2117 no . 2_646
C63 H35A 3.5359 no . 1_455
C63 H37A 3.2039 no . .
C63 H40B 3.2410 no . .
C64 H2A 3.4121 no . 2_546
C64 H3A 3.4121 no . 2_546
C64 H34A 3.3558 no . 1_455
C65 H31C 3.5814 no . .
C66 H31B 3.5691 no . .
C66 H31C 3.5890 no . .
C66 H79C 3.2933 no . 4_454
C66 H84 3.2431 no . 4_454
C67 H31B 3.5081 no . .
C67 H31C 3.4617 no . .
C68 H31C 3.3241 no . .
C69 H31C 3.2900 no . .
C69 H40C 3.5171 no . .
C70 H31C 3.3983 no . .
C70 H40C 3.4717 no . .
C71 H20 3.4062 no . 2_656
C71 H36A 3.2901 no . 2_656
C71 H37C 3.1838 no . 2_656
C72 H29A 3.5678 no . .
C72 H32C 3.1851 no . 1_455
C72 H40C 3.5164 no . .
C73 H19 2.7992 no . .
C73 H21 3.3173 no . .
C74 H19 3.4652 no . .
C74 H21 3.0562 no . .
C74 H54 3.3231 no . 4_555
C75 H21 2.9437 no . .
C75 H23 3.2609 no . .
C75 H38C 3.3498 no . .
C76 H21 3.0581 no . .
C76 H23 3.4369 no . .
C76 H33A 3.3264 no . .
C76 H38C 3.4659 no . .
C77 H10 3.1937 no . .
C77 H21 3.2253 no . .
C77 H27A 3.2886 no . 1_655
C77 H39A 3.5823 no . 1_655
C77 H39C 3.2909 no . 1_655
C78 H19 2.9161 no . .
C78 H21 3.4024 no . .
C78 H39A 3.5748 no . 1_655
C78 H39C 3.3859 no . 1_655
C79 H17 3.0547 no . .
C79 H19 2.9626 no . .
C79 H36B 3.5517 no . 3_757
C79 H66 3.1333 no . 4_555
C80 H19 3.4551 no . .
C80 H21 2.8472 no . .
C81 H19 3.1428 no . .
C81 H21 3.3229 no . .
C81 H39A 3.4529 no . 1_655
C81 H39C 3.2295 no . 1_655
C82 H17 3.1984 no . .
C82 H19 2.7157 no . .
C82 H39C 3.5461 no . 1_655
C83 H17 2.9785 no . .
C83 H19 2.8428 no . .
C84 H19 2.9632 no . .
C84 H21 3.5773 no . .
C84 H36B 3.2880 no . 3_757
C84 H54 3.5420 no . 4_555
C84 H66 3.3084 no . 4_555
C85 H19 3.3433 no . .
C85 H21 3.0080 no . .
C85 H54 3.3882 no . 4_555
C86 H21 3.1602 no . .
C86 H23 3.2740 no . .
C86 H33A 3.2781 no . .
C86 H38C 3.1192 no . .
H2A F16 3.1548 no . 2_556
H2A F17 2.6284 no . 2_556
H2A F23 3.4185 no . .
H2A C64 3.4121 no . 2_556
H2B F15 3.1537 no . 2_656
H2B F16 3.3580 no . 2_556
H2B F20 3.0270 no . .
H3A F10 3.5116 no . 2_656
H3A F17 2.9698 no . 2_556
H3A F18 2.8959 no . 2_556
H3A C52 3.4986 no . 2_656
H3A C53 3.5020 no . 2_656
H3A C64 3.4121 no . 2_556
H3B F10 2.9394 no . 2_656
H3B F17 3.4224 no . 2_556
H4A C49 3.3527 no . 2_656
H4A C53 3.4060 no . 2_656
H4A C54 2.9677 no . 2_656
H4A C57 3.4416 no . 2_656
H4A C58 3.2816 no . 2_656
H4A H42 3.1587 no . 2_656
H4A H54 2.9632 no . 2_656
H4A H58 3.2760 no . 2_656
H4B F13 3.5580 no . 2_656
H4B F15 2.8105 no . 2_656
H4B C58 2.9538 no . 2_656
H4B C59 2.9777 no . 2_656
H4B C63 3.2117 no . 2_656
H4B H58 3.0146 no . 2_656
H7 F8 3.2099 no . .
H8 H27A 3.5886 no . 1_655
H8 H29B 2.9056 no . 1_655
H8 H76 3.2682 no . .
H8 H77 3.4222 no . .
H8 H86A 3.3647 no . .
H10 C77 3.1937 no . .
H10 H27A 2.9299 no . 1_655
H10 H29B 2.9688 no . 1_655
H10 H39C 3.1904 no . 1_655
H10 H40A 3.0026 no . 1_655
H10 H77 2.4195 no . .
H10 H81 3.0111 no . .
H10 H86A 3.5345 no . .
H11 F21 2.9591 no . 2_646
H11 H40A 3.4534 no . 1_655
H11 H60 3.5044 no . 1_655
H12 C24 3.4558 no . 1_655
H12 C25 3.4509 no . 1_655
H12 C39 3.1081 no . 1_655
H12 H24 3.5756 no . 1_655
H12 H39B 3.3427 no . 1_655
H12 H39C 2.1967 no . 1_655
H12 H40A 3.4909 no . 1_655
H12 H77 3.1753 no . .
H12 H78 3.3396 no . .
H12 H81 3.1106 no . .
H12 H82 3.3996 no . .
H14 F4 3.1532 no . 4_655
H14 C22 3.5449 no . 1_655
H14 C23 3.4864 no . 1_655
H14 C39 3.5579 no . 1_655
H14 H37A 3.5867 no . 1_655
H14 H37B 3.3207 no . 1_655
H14 H39B 3.1439 no . 1_655
H14 H39C 3.0521 no . 1_655
H14 H82 3.2899 no . .
H15 F6 3.5818 no . 2_646
H15 H37B 2.8564 no . 1_655
H16 F4 2.5278 no . 2_646
H16 F6 3.3036 no . 2_646
H16 C21 3.4732 no . 3_757
H16 C48 3.5528 no . 2_646
H16 H37B 3.5631 no . 3_757
H17 C79 3.0547 no . .
H17 C82 3.1984 no . .
H17 C83 2.9785 no . .
H17 H36B 3.3798 no . 3_757
H17 H78 3.5758 no . .
H17 H79A 2.6900 no . .
H17 H79B 2.5968 no . .
H17 H82 2.9513 no . .
H17 H83 2.8322 no . .
H19 C36 3.3831 no . 3_757
H19 C73 2.7992 no . .
H19 C74 3.4652 no . .
H19 C78 2.9161 no . .
H19 C79 2.9626 no . .
H19 C80 3.4551 no . .
H19 C81 3.1428 no . .
H19 C82 2.7157 no . .
H19 C83 2.8428 no . .
H19 C84 2.9632 no . .
H19 C85 3.3433 no . .
H19 H36B 2.4444 no . 3_757
H19 H78 3.0395 no . .
H19 H79A 3.1763 no . .
H19 H79B 2.4887 no . .
H19 H82 2.9627 no . .
H19 H83 3.3914 no . .
H19 H84 3.3248 no . .
H20 F19 2.8452 no . 2_646
H20 F21 2.7433 no . 2_646
H20 C71 3.4062 no . 2_646
H21 F4 3.5442 no . 4_555
H21 C73 3.3173 no . .
H21 C74 3.0562 no . .
H21 C75 2.9437 no . .
H21 C76 3.0581 no . .
H21 C77 3.2253 no . .
H21 C78 3.4024 no . .
H21 C80 2.8472 no . .
H21 C81 3.3229 no . .
H21 C84 3.5773 no . .
H21 C85 3.0080 no . .
H21 C86 3.1602 no . .
H21 H36B 3.3990 no . 3_757
H21 H74 3.5052 no . .
H21 H75 3.3622 no . .
H21 H76 3.5405 no . .
H21 H85 3.2572 no . .
H21 H86C 2.5940 no . .
H23 F4 3.5755 no . 4_555
H23 C75 3.2609 no . .
H23 C76 3.4369 no . .
H23 C86 3.2740 no . .
H23 H75 3.0486 no . .
H23 H76 3.3555 no . .
H23 H86C 2.2994 no . .
H24 F13 3.4078 no . .
H24 F14 3.0248 no . .
H24 H12 3.5756 no . 1_455
H27A F3 3.4261 no . 2_556
H27A C77 3.2886 no . 1_455
H27A H8 3.5886 no . 1_455
H27A H10 2.9299 no . 1_455
H27A H77 2.4554 no . 1_455
H27A H81 2.9544 no . 1_455
H27A H86A 3.3604 no . 1_455
H27B F1 2.9667 no . 2_556
H27B F3 2.8973 no . 2_556
H27B C47 3.4659 no . 2_556
H28A F3 2.6613 no . 2_556
H28A F17 2.8501 no . 2_556
H28A C32 3.5745 no . 1_455
H28A H32A 3.0875 no . 1_455
H28A H32B 3.1397 no . 1_455
H28B F10 2.9438 no . 2_656
H28B F17 3.0593 no . 2_556
H29A F17 2.7548 no . 2_556
H29A F23 2.6269 no . .
H29A C72 3.5678 no . .
H29A H32A 3.3527 no . 1_455
H29B F22 3.4652 no . .
H29B F23 3.1689 no . .
H29B C8 3.4392 no . 1_455
H29B C10 3.4821 no . 1_455
H29B C32 3.3518 no . 1_455
H29B H8 2.9056 no . 1_455
H29B H10 2.9688 no . 1_455
H29B H32A 2.4606 no . 1_455
H29B H32B 3.5419 no . 1_455
H31A F8 3.0704 no . .
H31A H50 2.9514 no . .
H31A H58 3.4997 no . .
H31B F7 3.1466 no . .
H31B F8 3.2152 no . .
H31B F20 3.1798 no . .
H31B C66 3.5691 no . .
H31B C67 3.5081 no . .
H31B H50 2.8088 no . .
H31C C65 3.5814 no . .
H31C C66 3.5890 no . .
H31C C67 3.4617 no . .
H31C C68 3.3241 no . .
H31C C69 3.2900 no . .
H31C C70 3.3983 no . .
H31C H50 3.2863 no . .
H32A F22 3.3430 no . 1_655
H32A F23 3.0066 no . 1_655
H32A C29 3.2411 no . 1_655
H32A H28A 3.0875 no . 1_655
H32A H29A 3.3527 no . 1_655
H32A H29B 2.4606 no . 1_655
H32B F17 3.3656 no . 2_656
H32B F23 3.3542 no . 1_655
H32B C60 3.4608 no . 2_656
H32B C61 3.2777 no . 2_656
H32B C62 3.3515 no . 2_656
H32B H28A 3.1397 no . 1_655
H32B H29B 3.5419 no . 1_655
H32B H42 3.1944 no . 2_656
H32C F15 3.3402 no . 2_656
H32C F22 3.2143 no . 1_655
H32C F23 2.6583 no . 1_655
H32C F24 2.9605 no . 1_655
H32C C60 3.4104 no . 2_656
H32C C72 3.1851 no . 1_655
H32C H60 3.5090 no . 2_656
H33A C76 3.3264 no . .
H33A C86 3.2781 no . .
H33A H76 2.4049 no . .
H33A H86A 2.7047 no . .
H33A H86B 3.5522 no . .
H33A H86C 3.1065 no . .
H33B F10 3.5869 no . 2_656
H33B F12 3.4286 no . 2_656
H33B H76 3.2988 no . .
H33C F3 2.8093 no . 2_656
H33C H42 3.0333 no . 2_656
H33C H76 3.2750 no . .
H33C H86A 3.4827 no . .
H34A F8 3.1490 no . .
H34A F16 3.0724 no . 1_655
H34A F18 2.9594 no . 1_655
H34A F22 3.3195 no . 1_655
H34A C61 3.5869 no . 1_655
H34A C64 3.3558 no . 1_655
H34A H40A 3.5422 no . 1_655
H34B F8 3.1198 no . .
H34B F13 3.0700 no . .
H34B F18 3.5715 no . 1_655
H34C F16 2.9923 no . 1_655
H34C F21 2.9225 no . 2_646
H35A F14 2.5117 no . 1_655
H35A F15 3.3414 no . 1_655
H35A C63 3.5359 no . 1_655
H35A H37A 3.1653 no . 1_655
H35A H37B 3.2296 no . 1_655
H35A H60 3.5060 no . 1_655
H35B F14 3.3845 no . 1_655
H35B F21 3.1238 no . 2_646
H35B H60 3.4022 no . 1_655
H35B H68 3.2049 no . 2_646
H35C F6 3.0716 no . 2_646
H36A F19 2.6564 no . 2_646
H36A F21 2.9722 no . 2_646
H36A C71 3.2901 no . 2_646
H36A H79B 3.0635 no . 3_757
H36A H84 3.3663 no . 3_757
H36B F4 3.5596 no . 2_646
H36B C17 3.5320 no . 3_757
H36B C18 3.1505 no . 3_757
H36B C19 2.6031 no . 3_757
H36B C20 3.1643 no . 3_757
H36B C21 3.5635 no . 3_757
H36B C79 3.5517 no . 3_757
H36B C84 3.2880 no . 3_757
H36B H17 3.3798 no . 3_757
H36B H19 2.4444 no . 3_757
H36B H21 3.3990 no . 3_757
H36B H79B 2.6352 no . 3_757
H36B H84 2.9229 no . 3_757
H36C F4 3.0751 no . 2_646
H36C F6 2.7651 no . 2_646
H36C C48 3.5427 no . 2_646
H36C H84 3.4917 no . 3_757
H37A F13 2.9753 no . .
H37A F14 2.4064 no . .
H37A F15 3.5884 no . .
H37A C13 3.4729 no . 1_455
H37A C14 3.3747 no . 1_455
H37A C63 3.2039 no . .
H37A H14 3.5867 no . 1_455
H37A H35A 3.1653 no . 1_455
H37B F14 3.5538 no . .
H37B F19 3.0309 no . 2_646
H37B F20 3.5080 no . 2_646
H37B F21 3.5110 no . 2_646
H37B C13 3.5678 no . 1_455
H37B C14 2.9751 no . 1_455
H37B C15 2.7208 no . 1_455
H37B C16 3.2025 no . 3_757
H37B H14 3.3207 no . 1_455
H37B H15 2.8564 no . 1_455
H37B H16 3.5631 no . 3_757
H37B H35A 3.2296 no . 1_455
H37C F13 3.3133 no . .
H37C F14 3.5406 no . .
H37C F19 3.1977 no . 2_646
H37C F20 2.9603 no . 2_646
H37C F21 2.6645 no . 2_646
H37C C71 3.1838 no . 2_646
H38A F1 3.1096 no . 4_555
H38A F2 3.0867 no . 4_555
H38A F10 3.5606 no . 2_656
H38A H44 3.1925 no . 4_555
H38A H75 3.2062 no . .
H38A H86C 3.5681 no . .
H38B F10 3.0175 no . 2_656
H38C C75 3.3498 no . .
H38C C76 3.4659 no . .
H38C C86 3.1192 no . .
H38C H75 2.7691 no . .
H38C H76 2.9802 no . .
H38C H86A 3.5123 no . .
H38C H86B 3.0793 no . .
H38C H86C 2.3871 no . .
H39A F5 3.0748 no . 4_555
H39A F11 3.2886 no . 4_455
H39A C44 3.4481 no . 4_555
H39A C77 3.5823 no . 1_455
H39A C78 3.5748 no . 1_455
H39A C81 3.4529 no . 1_455
H39A H44 2.5183 no . 4_555
H39A H77 3.1442 no . 1_455
H39A H78 3.1003 no . 1_455
H39A H81 2.8610 no . 1_455
H39A H82 3.4157 no . 1_455
H39B F4 2.8618 no . 4_555
H39B F5 3.0973 no . 4_555
H39B C48 3.5731 no . 4_555
H39B H12 3.3427 no . 1_455
H39B H14 3.1439 no . 1_455
H39B H44 2.8955 no . 4_555
H39B H75 3.4795 no . .
H39C F5 3.5020 no . 4_555
H39C C12 3.1429 no . 1_455
H39C C77 3.2909 no . 1_455
H39C C78 3.3859 no . 1_455
H39C C81 3.2295 no . 1_455
H39C C82 3.5461 no . 1_455
H39C H10 3.1904 no . 1_455
H39C H12 2.1967 no . 1_455
H39C H14 3.0521 no . 1_455
H39C H77 2.6336 no . 1_455
H39C H78 2.8281 no . 1_455
H39C H81 2.4621 no . 1_455
H39C H82 3.0832 no . 1_455
H40A F14 3.1494 no . .
H40A C9 3.5626 no . 1_455
H40A C10 2.9368 no . 1_455
H40A C11 3.0636 no . 1_455
H40A C12 3.4495 no . 1_455
H40A H10 3.0026 no . 1_455
H40A H11 3.4534 no . 1_455
H40A H12 3.4909 no . 1_455
H40A H34A 3.5422 no . 1_455
H40B F13 2.9711 no . .
H40B F14 2.8086 no . .
H40B C59 3.5183 no . .
H40B C63 3.2410 no . .
H40C F22 3.1155 no . .
H40C F23 3.4616 no . .
H40C C69 3.5171 no . .
H40C C70 3.4717 no . .
H40C C72 3.5164 no . .
H40C H70 3.3209 no . .
H42 H4A 3.1587 no . 2_646
H42 H32B 3.1944 no . 2_646
H42 H33C 3.0333 no . 2_646
H44 F11 2.9731 no . 1_455
H44 C39 3.1411 no . 4_454
H44 H38A 3.1925 no . 4_454
H44 H39A 2.5183 no . 4_454
H44 H39B 2.8955 no . 4_454
H44 H75 3.0793 no . 4_454
H44 H85 3.4802 no . 4_454
H46 F9 3.5557 no . 1_455
H46 H74 3.1020 no . 4_454
H46 H84 2.9408 no . 4_454
H46 H85 3.5338 no . 4_454
H50 C31 3.1882 no . .
H50 H31A 2.9514 no . .
H50 H31B 2.8088 no . .
H50 H31C 3.2863 no . .
H52 F18 3.4590 no . 1_655
H52 C44 3.5261 no . 1_655
H52 C45 3.5188 no . 1_655
H52 H62 3.3909 no . 1_655
H54 C74 3.3231 no . 4_454
H54 C84 3.5420 no . 4_454
H54 C85 3.3882 no . 4_454
H54 H4A 2.9632 no . 2_646
H54 H74 3.0900 no . 4_454
H54 H79C 3.2932 no . 4_454
H54 H85 3.2664 no . 4_454
H58 C4 3.5806 no . 2_646
H58 H4A 3.2760 no . 2_646
H58 H4B 3.0146 no . 2_646
H58 H31A 3.4997 no . .
H60 F23 3.1520 no . 2_546
H60 F24 3.2163 no . 2_546
H60 H11 3.5044 no . 1_455
H60 H32C 3.5090 no . 2_646
H60 H35A 3.5060 no . 1_455
H60 H35B 3.4022 no . 1_455
H60 H68 3.1984 no . 2_546
H62 F9 2.8725 no . 1_455
H62 H52 3.3909 no . 1_455
H66 C79 3.1333 no . 4_454
H66 C84 3.3084 no . 4_454
H66 H79B 3.0455 no . 4_454
H66 H79C 2.3995 no . 4_454
H66 H83 3.3680 no . 4_454
H66 H84 2.5991 no . 4_454
H68 F16 2.4689 no . 2_556
H68 H35B 3.2049 no . 2_656
H68 H60 3.1984 no . 2_556
H70 F9 2.8333 no . 1_455
H70 H40C 3.3209 no . .
H74 F4 3.3479 no . 4_555
H74 C41 2.9656 no . 4_555
H74 C42 3.2766 no . 4_555
H74 C43 3.4171 no . 4_555
H74 C44 3.2629 no . 4_555
H74 C45 2.9406 no . 4_555
H74 C46 2.7535 no . 4_555
H74 C54 3.4583 no . 4_555
H74 H21 3.5052 no . .
H74 H46 3.1020 no . 4_555
H74 H54 3.0900 no . 4_555
H75 F2 2.7673 no . 4_555
H75 C38 3.4317 no . .
H75 C43 3.1525 no . 4_555
H75 C44 3.0148 no . 4_555
H75 C45 3.5812 no . 4_555
H75 C47 3.4539 no . 4_555
H75 H21 3.3622 no . .
H75 H23 3.0486 no . .
H75 H38A 3.2062 no . .
H75 H38C 2.7691 no . .
H75 H39B 3.4795 no . .
H75 H44 3.0793 no . 4_555
H76 Pd2 3.4939 no . .
H76 C33 3.1375 no . .
H76 H8 3.2682 no . .
H76 H21 3.5405 no . .
H76 H23 3.3555 no . .
H76 H33A 2.4049 no . .
H76 H33B 3.2988 no . .
H76 H33C 3.2750 no . .
H76 H38C 2.9802 no . .
H77 Pd3 3.3267 no . .
H77 C10 3.2186 no . .
H77 C27 3.3668 no . 1_655
H77 C39 3.2822 no . 1_655
H77 H8 3.4222 no . .
H77 H10 2.4195 no . .
H77 H12 3.1753 no . .
H77 H27A 2.4554 no . 1_655
H77 H39A 3.1442 no . 1_655
H77 H39C 2.6336 no . 1_655
H78 Pd4 3.4871 no . .
H78 F5 2.6955 no . 4_655
H78 F11 3.4660 no . 4_555
H78 C39 3.3680 no . 1_655
H78 H12 3.3396 no . .
H78 H17 3.5758 no . .
H78 H19 3.0395 no . .
H78 H39A 3.1003 no . 1_655
H78 H39C 2.8281 no . 1_655
H79A F5 2.9900 no . 4_655
H79A H17 2.6900 no . .
H79A H19 3.1763 no . .
H79B F19 3.0753 no . 4_555
H79B C17 3.3929 no . .
H79B C19 3.3145 no . .
H79B C36 3.2648 no . 3_757
H79B H17 2.5968 no . .
H79B H19 2.4887 no . .
H79B H36A 3.0635 no . 3_757
H79B H36B 2.6352 no . 3_757
H79B H66 3.0455 no . 4_555
H79C F19 3.5428 no . 4_555
H79C C49 2.9195 no . 4_555
H79C C50 3.1716 no . 4_555
H79C C51 3.4224 no . 4_555
H79C C52 3.4628 no . 4_555
H79C C53 3.2234 no . 4_555
H79C C54 2.9181 no . 4_555
H79C C66 3.2933 no . 4_555
H79C H54 3.2932 no . 4_555
H79C H66 2.3995 no . 4_555
H81 Pd3 3.5394 no . .
H81 C39 3.0925 no . 1_655
H81 H10 3.0111 no . .
H81 H12 3.1106 no . .
H81 H27A 2.9544 no . 1_655
H81 H39A 2.8610 no . 1_655
H81 H39C 2.4621 no . 1_655
H82 Pd4 3.2827 no . .
H82 F5 2.2539 no . 4_655
H82 C39 3.5894 no . 1_655
H82 C48 3.4094 no . 4_655
H82 H12 3.3996 no . .
H82 H14 3.2899 no . .
H82 H17 2.9513 no . .
H82 H19 2.9627 no . .
H82 H39A 3.4157 no . 1_655
H82 H39C 3.0832 no . 1_655
H83 F5 3.1189 no . 4_655
H83 H17 2.8322 no . .
H83 H19 3.3914 no . .
H83 H66 3.3680 no . 4_555
H84 F19 3.5462 no . 4_555
H84 C36 3.4405 no . 3_757
H84 C41 3.4200 no . 4_555
H84 C46 3.0911 no . 4_555
H84 C49 3.5839 no . 4_555
H84 C66 3.2431 no . 4_555
H84 H19 3.3248 no . .
H84 H36A 3.3663 no . 3_757
H84 H36B 2.9229 no . 3_757
H84 H36C 3.4917 no . 3_757
H84 H46 2.9408 no . 4_555
H84 H66 2.5991 no . 4_555
H85 F4 3.2641 no . 4_555
H85 C41 3.2648 no . 4_555
H85 C42 3.3047 no . 4_555
H85 C43 3.1935 no . 4_555
H85 C44 3.0198 no . 4_555
H85 C45 2.9597 no . 4_555
H85 C46 3.0573 no . 4_555
H85 H21 3.2572 no . .
H85 H44 3.4802 no . 4_555
H85 H46 3.5338 no . 4_555
H85 H54 3.2664 no . 4_555
H86A C33 3.4492 no . .
H86A H8 3.3647 no . .
H86A H10 3.5345 no . .
H86A H27A 3.3604 no . 1_655
H86A H33A 2.7047 no . .
H86A H33C 3.4827 no . .
H86A H38C 3.5123 no . .
H86B F2 2.9275 no . 4_555
H86B F12 3.5904 no . 4_555
H86B H33A 3.5522 no . .
H86B H38C 3.0793 no . .
H86C Pd2 3.1926 no . .
H86C C21 3.3361 no . .
H86C C23 3.0652 no . .
H86C C38 3.3267 no . .
H86C H21 2.5940 no . .
H86C H23 2.2994 no . .
H86C H33A 3.1065 no . .
H86C H38A 3.5681 no . .
H86C H38C 2.3871 no . .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Pd2 Pd1 C1 C2 -148.41(17) no . . . .
Pd2 Pd1 C1 C6 -33.94(19) no . . . .
Pd2 Pd1 C1 C31 87.41(19) no . . . .
C1 Pd1 Pd2 C8 13.47(12) no . . . .
C1 Pd1 Pd2 C9 -8.68(12) no . . . .
C1 Pd1 Pd2 C22 -157.87(12) no . . . .
C1 Pd1 Pd2 C23 -177.63(12) no . . . .
Pd2 Pd1 C6 C1 152.58(13) no . . . .
Pd2 Pd1 C6 C5 -89.6(2) no . . . .
Pd2 Pd1 C6 C7 28.99(12) no . . . .
C6 Pd1 Pd2 C8 -6.30(10) no . . . .
C6 Pd1 Pd2 C9 -28.45(10) no . . . .
C6 Pd1 Pd2 C22 -177.64(10) no . . . .
C6 Pd1 Pd2 C23 162.60(10) no . . . .
Pd2 Pd1 C7 C6 -146.05(16) no . . . .
Pd2 Pd1 C7 C8 -23.33(18) no . . . .
C7 Pd1 Pd2 C8 13.39(10) no . . . .
C7 Pd1 Pd2 C9 -8.75(10) no . . . .
C7 Pd1 Pd2 C22 -157.95(11) no . . . .
C7 Pd1 Pd2 C23 -177.71(10) no . . . .
Pd2 Pd1 C24 C23 27.95(16) no . . . .
Pd2 Pd1 C24 C25 152.88(16) no . . . .
C24 Pd1 Pd2 C8 174.24(10) no . . . .
C24 Pd1 Pd2 C9 152.10(10) no . . . .
C24 Pd1 Pd2 C22 2.90(10) no . . . .
C24 Pd1 Pd2 C23 -16.86(10) no . . . .
Pd2 Pd1 C25 C24 -24.14(14) no . . . .
Pd2 Pd1 C25 C26 94.3(2) no . . . .
Pd2 Pd1 C25 C30 -147.70(12) no . . . .
C25 Pd1 Pd2 C8 -169.52(10) no . . . .
C25 Pd1 Pd2 C9 168.34(10) no . . . .
C25 Pd1 Pd2 C22 19.14(10) no . . . .
C25 Pd1 Pd2 C23 -0.62(10) no . . . .
Pd2 Pd1 C30 C25 41.5(2) no . . . .
Pd2 Pd1 C30 C29 156.08(17) no . . . .
Pd2 Pd1 C30 C40 -80.60(19) no . . . .
C30 Pd1 Pd2 C8 166.87(13) no . . . .
C30 Pd1 Pd2 C9 144.72(13) no . . . .
C30 Pd1 Pd2 C22 -4.47(13) no . . . .
C30 Pd1 Pd2 C23 -24.23(13) no . . . .
C1 Pd1 C6 C1 0.00(17) no . . . .
C1 Pd1 C6 C5 117.9(3) no . . . .
C1 Pd1 C6 C7 -123.6(3) no . . . .
C6 Pd1 C1 C2 -114.5(3) no . . . .
C6 Pd1 C1 C6 0.00(16) no . . . .
C6 Pd1 C1 C31 121.4(3) no . . . .
C1 Pd1 C7 C6 34.02(14) no . . . .
C1 Pd1 C7 C8 156.7(3) no . . . .
C7 Pd1 C1 C2 -148.3(3) no . . . .
C7 Pd1 C1 C6 -33.87(14) no . . . .
C7 Pd1 C1 C31 87.5(2) no . . . .
C1 Pd1 C25 C24 152.15(16) no . . . .
C1 Pd1 C25 C26 -89.4(3) no . . . .
C1 Pd1 C25 C30 28.6(3) no . . . .
C25 Pd1 C1 C2 36.1(3) no . . . .
C25 Pd1 C1 C6 150.53(16) no . . . .
C25 Pd1 C1 C31 -88.1(3) no . . . .
C1 Pd1 C30 C25 -160.87(15) no . . . .
C1 Pd1 C30 C29 -46.3(3) no . . . .
C1 Pd1 C30 C40 77.0(2) no . . . .
C30 Pd1 C1 C2 53.3(3) no . . . .
C30 Pd1 C1 C6 167.76(15) no . . . .
C30 Pd1 C1 C31 -70.9(2) no . . . .
C6 Pd1 C7 C6 0.00(15) no . . . .
C6 Pd1 C7 C8 122.7(3) no . . . .
C7 Pd1 C6 C1 123.6(3) no . . . .
C7 Pd1 C6 C5 -118.6(3) no . . . .
C7 Pd1 C6 C7 0.00(14) no . . . .
C6 Pd1 C24 C23 26.7(4) no . . . .
C6 Pd1 C24 C25 151.6(3) no . . . .
C24 Pd1 C6 C1 153.7(2) no . . . .
C24 Pd1 C6 C5 -88.4(4) no . . . .
C24 Pd1 C6 C7 30.1(4) no . . . .
C6 Pd1 C30 C25 -149.24(17) no . . . .
C6 Pd1 C30 C29 -34.7(4) no . . . .
C6 Pd1 C30 C40 88.6(3) no . . . .
C30 Pd1 C6 C1 -18.8(3) no . . . .
C30 Pd1 C6 C5 99.0(3) no . . . .
C30 Pd1 C6 C7 -142.41(18) no . . . .
C7 Pd1 C24 C23 47.2(3) no . . . .
C7 Pd1 C24 C25 172.10(12) no . . . .
C24 Pd1 C7 C6 -165.80(12) no . . . .
C24 Pd1 C7 C8 -43.1(3) no . . . .
C7 Pd1 C25 C24 -17.7(4) no . . . .
C7 Pd1 C25 C26 100.8(4) no . . . .
C7 Pd1 C25 C30 -141.2(3) no . . . .
C25 Pd1 C7 C6 -153.4(3) no . . . .
C25 Pd1 C7 C8 -30.7(5) no . . . .
C7 Pd1 C30 C25 141.4(3) no . . . .
C7 Pd1 C30 C29 -104.0(4) no . . . .
C7 Pd1 C30 C40 19.3(5) no . . . .
C30 Pd1 C7 C6 99.2(3) no . . . .
C30 Pd1 C7 C8 -138.0(3) no . . . .
C24 Pd1 C25 C24 -0.00(14) no . . . .
C24 Pd1 C25 C26 118.4(3) no . . . .
C24 Pd1 C25 C30 -123.6(3) no . . . .
C25 Pd1 C24 C23 -124.9(3) no . . . .
C25 Pd1 C24 C25 -0.00(16) no . . . .
C24 Pd1 C30 C25 34.25(14) no . . . .
C24 Pd1 C30 C29 148.8(3) no . . . .
C24 Pd1 C30 C40 -87.9(2) no . . . .
C30 Pd1 C24 C23 -158.6(3) no . . . .
C30 Pd1 C24 C25 -33.66(14) no . . . .
C25 Pd1 C30 C25 0.00(16) no . . . .
C25 Pd1 C30 C29 114.6(4) no . . . .
C25 Pd1 C30 C40 -122.1(3) no . . . .
C30 Pd1 C25 C24 123.6(3) no . . . .
C30 Pd1 C25 C26 -118.0(3) no . . . .
C30 Pd1 C25 C30 0.00(16) no . . . .
Pd1 Pd2 C8 C7 -19.09(14) no . . . .
Pd1 Pd2 C8 C9 -145.31(14) no . . . .
Pd1 Pd2 C9 C8 38.51(15) no . . . .
Pd1 Pd2 C9 C10 152.13(15) no . . . .
Pd1 Pd2 C9 C34 -79.56(19) no . . . .
Pd1 Pd2 C22 C21 -148.49(14) no . . . .
Pd1 Pd2 C22 C23 -33.12(15) no . . . .
Pd1 Pd2 C22 C37 84.70(18) no . . . .
Pd1 Pd2 C23 C22 148.97(13) no . . . .
Pd1 Pd2 C23 C24 24.18(13) no . . . .
Pd3 Pd2 C8 C7 159.92(14) no . . . .
Pd3 Pd2 C8 C9 33.70(14) no . . . .
C8 Pd2 Pd3 C10 -2.75(10) no . . . .
C8 Pd2 Pd3 C11 -19.15(11) no . . . .
C8 Pd2 Pd3 C20 -177.61(10) no . . . .
C8 Pd2 Pd3 C21 167.46(10) no . . . .
Pd3 Pd2 C9 C8 -142.86(15) no . . . .
Pd3 Pd2 C9 C10 -29.24(15) no . . . .
Pd3 Pd2 C9 C34 99.07(18) no . . . .
C9 Pd2 Pd3 C10 18.73(10) no . . . .
C9 Pd2 Pd3 C11 2.32(10) no . . . .
C9 Pd2 Pd3 C20 -156.14(10) no . . . .
C9 Pd2 Pd3 C21 -171.06(10) no . . . .
Pd3 Pd2 C22 C21 32.43(14) no . . . .
Pd3 Pd2 C22 C23 147.80(15) no . . . .
Pd3 Pd2 C22 C37 -94.38(18) no . . . .
C22 Pd2 Pd3 C10 168.83(10) no . . . .
C22 Pd2 Pd3 C11 152.43(10) no . . . .
C22 Pd2 Pd3 C20 -6.03(10) no . . . .
C22 Pd2 Pd3 C21 -20.96(10) no . . . .
Pd3 Pd2 C23 C22 -29.87(13) no . . . .
Pd3 Pd2 C23 C24 -154.66(13) no . . . .
C23 Pd2 Pd3 C10 -171.95(10) no . . . .
C23 Pd2 Pd3 C11 171.64(10) no . . . .
C23 Pd2 Pd3 C20 13.18(10) no . . . .
C23 Pd2 Pd3 C21 -1.75(10) no . . . .
C8 Pd2 C9 C8 -0.00(17) no . . . .
C8 Pd2 C9 C10 113.6(3) no . . . .
C8 Pd2 C9 C34 -118.1(3) no . . . .
C9 Pd2 C8 C7 126.2(3) no . . . .
C9 Pd2 C8 C9 -0.00(14) no . . . .
C9 Pd2 C22 C21 66.1(2) no . . . .
C9 Pd2 C22 C23 -178.54(12) no . . . .
C9 Pd2 C22 C37 -60.7(2) no . . . .
C22 Pd2 C9 C8 -176.88(12) no . . . .
C22 Pd2 C9 C10 -63.3(2) no . . . .
C22 Pd2 C9 C34 65.1(2) no . . . .
C22 Pd2 C23 C22 0.00(14) no . . . .
C22 Pd2 C23 C24 -124.8(3) no . . . .
C23 Pd2 C22 C21 -115.4(3) no . . . .
C23 Pd2 C22 C23 0.00(15) no . . . .
C23 Pd2 C22 C37 117.8(3) no . . . .
Pd2 Pd3 C10 C9 -27.92(15) no . . . .
Pd2 Pd3 C10 C11 -154.76(15) no . . . .
Pd2 Pd3 C11 C10 27.16(16) no . . . .
Pd2 Pd3 C11 C12 146.44(15) no . . . .
Pd2 Pd3 C20 C19 -144.53(15) no . . . .
Pd2 Pd3 C20 C21 -24.43(15) no . . . .
Pd2 Pd3 C21 C20 156.60(14) no . . . .
Pd2 Pd3 C21 C22 31.44(14) no . . . .
Pd4 Pd3 C10 C9 158.59(15) no . . . .
Pd4 Pd3 C10 C11 31.75(15) no . . . .
C10 Pd3 Pd4 C12 -2.29(11) no . . . .
C10 Pd3 Pd4 C13 -19.03(11) no . . . .
C10 Pd3 Pd4 C18 -175.84(11) no . . . .
C10 Pd3 Pd4 C19 167.75(11) no . . . .
Pd4 Pd3 C11 C10 -146.55(16) no . . . .
Pd4 Pd3 C11 C12 -27.27(15) no . . . .
C11 Pd3 Pd4 C12 17.70(10) no . . . .
C11 Pd3 Pd4 C13 0.96(11) no . . . .
C11 Pd3 Pd4 C18 -155.84(11) no . . . .
C11 Pd3 Pd4 C19 -172.25(11) no . . . .
Pd4 Pd3 C20 C19 28.58(15) no . . . .
Pd4 Pd3 C20 C21 148.68(15) no . . . .
C20 Pd3 Pd4 C12 171.34(10) no . . . .
C20 Pd3 Pd4 C13 154.61(10) no . . . .
C20 Pd3 Pd4 C18 -2.20(10) no . . . .
C20 Pd3 Pd4 C19 -18.61(10) no . . . .
Pd4 Pd3 C21 C20 -29.68(14) no . . . .
Pd4 Pd3 C21 C22 -154.84(14) no . . . .
C21 Pd3 Pd4 C12 -169.92(10) no . . . .
C21 Pd3 Pd4 C13 173.35(10) no . . . .
C21 Pd3 Pd4 C18 16.54(10) no . . . .
C21 Pd3 Pd4 C19 0.13(10) no . . . .
C10 Pd3 C11 C10 0.00(16) no . . . .
C10 Pd3 C11 C12 119.3(3) no . . . .
C11 Pd3 C10 C9 126.8(3) no . . . .
C11 Pd3 C10 C11 -0.00(16) no . . . .
C10 Pd3 C21 C20 179.1(3) no . . . .
C10 Pd3 C21 C22 54.0(4) no . . . .
C21 Pd3 C10 C9 -50.2(4) no . . . .
C21 Pd3 C10 C11 -177.1(2) no . . . .
C11 Pd3 C20 C19 62.0(3) no . . . .
C11 Pd3 C20 C21 -177.86(14) no . . . .
C20 Pd3 C11 C10 -179.91(13) no . . . .
C20 Pd3 C11 C12 -60.6(3) no . . . .
C20 Pd3 C21 C20 -0.00(15) no . . . .
C20 Pd3 C21 C22 -125.2(3) no . . . .
C21 Pd3 C20 C19 -120.1(3) no . . . .
C21 Pd3 C20 C21 -0.00(15) no . . . .
Pd3 Pd4 C12 C11 -26.39(15) no . . . .
Pd3 Pd4 C12 C13 -153.86(15) no . . . .
Pd3 Pd4 C13 C12 27.22(16) no . . . .
Pd3 Pd4 C13 C14 143.40(15) no . . . .
Pd3 Pd4 C13 C35 -91.31(19) no . . . .
Pd3 Pd4 C18 C17 -142.53(14) no . . . .
Pd3 Pd4 C18 C19 -26.81(15) no . . . .
Pd3 Pd4 C18 C36 91.58(18) no . . . .
Pd3 Pd4 C19 C18 154.15(14) no . . . .
Pd3 Pd4 C19 C20 27.92(14) no . . . .
Pd5 Pd4 C12 C11 160.14(15) no . . . .
Pd5 Pd4 C12 C13 32.68(15) no . . . .
C12 Pd4 Pd5 C14 -0.11(11) no . . . .
C12 Pd4 Pd5 C15 -15.20(11) no . . . .
C12 Pd4 Pd5 C16 -178.11(11) no . . . .
C12 Pd4 Pd5 C17 166.95(11) no . . . .
Pd5 Pd4 C13 C12 -146.61(15) no . . . .
Pd5 Pd4 C13 C14 -30.43(15) no . . . .
Pd5 Pd4 C13 C35 94.86(19) no . . . .
C13 Pd4 Pd5 C14 20.22(10) no . . . .
C13 Pd4 Pd5 C15 5.13(11) no . . . .
C13 Pd4 Pd5 C16 -157.78(11) no . . . .
C13 Pd4 Pd5 C17 -172.72(11) no . . . .
Pd5 Pd4 C18 C17 30.69(14) no . . . .
Pd5 Pd4 C18 C19 146.41(15) no . . . .
Pd5 Pd4 C18 C36 -95.20(18) no . . . .
C18 Pd4 Pd5 C14 172.67(10) no . . . .
C18 Pd4 Pd5 C15 157.58(10) no . . . .
C18 Pd4 Pd5 C16 -5.33(10) no . . . .
C18 Pd4 Pd5 C17 -20.27(10) no . . . .
Pd5 Pd4 C19 C18 -32.11(14) no . . . .
Pd5 Pd4 C19 C20 -158.33(14) no . . . .
C19 Pd4 Pd5 C14 -167.21(10) no . . . .
C19 Pd4 Pd5 C15 177.70(10) no . . . .
C19 Pd4 Pd5 C16 14.79(10) no . . . .
C19 Pd4 Pd5 C17 -0.15(10) no . . . .
C12 Pd4 C13 C12 0.00(16) no . . . .
C12 Pd4 C13 C14 116.2(3) no . . . .
C12 Pd4 C13 C35 -118.5(3) no . . . .
C13 Pd4 C12 C11 127.5(3) no . . . .
C13 Pd4 C12 C13 0.00(16) no . . . .
C12 Pd4 C19 C18 174.5(2) no . . . .
C12 Pd4 C19 C20 48.2(4) no . . . .
C19 Pd4 C12 C11 -46.7(4) no . . . .
C19 Pd4 C12 C13 -174.1(2) no . . . .
C13 Pd4 C18 C17 68.0(3) no . . . .
C13 Pd4 C18 C19 -176.24(14) no . . . .
C13 Pd4 C18 C36 -57.8(3) no . . . .
C18 Pd4 C13 C12 176.56(13) no . . . .
C18 Pd4 C13 C14 -67.3(3) no . . . .
C18 Pd4 C13 C35 58.0(3) no . . . .
C18 Pd4 C19 C18 -0.00(15) no . . . .
C18 Pd4 C19 C20 -126.2(3) no . . . .
C19 Pd4 C18 C17 -115.7(3) no . . . .
C19 Pd4 C18 C19 -0.00(15) no . . . .
C19 Pd4 C18 C36 118.4(3) no . . . .
Pd4 Pd5 C14 C13 -30.91(15) no . . . .
Pd4 Pd5 C14 C15 -155.88(15) no . . . .
Pd4 Pd5 C15 C14 24.06(16) no . . . .
Pd4 Pd5 C15 C16 146.60(15) no . . . 3_857
Pd4 Pd5 C16 C15 -146.39(15) no . . . 3_857
Pd4 Pd5 C16 C17 -24.25(16) no . . . .
Pd4 Pd5 C17 C16 156.32(15) no . . . .
Pd4 Pd5 C17 C18 30.55(14) no . . . .
Pd5 Pd5 C14 C13 152.95(15) no 3_857 . . .
Pd5 Pd5 C14 C15 27.99(15) no 3_857 . . .
C14 Pd5 Pd5 C14 180.00(10) no . . 3_857 3_857
C14 Pd5 Pd5 C15 162.63(11) no . . 3_857 3_857
C14 Pd5 Pd5 C16 2.11(10) no . . 3_857 3_857
C14 Pd5 Pd5 C17 -15.09(11) no . . 3_857 3_857
Pd5 Pd5 C15 C14 -152.01(16) no 3_857 . . .
Pd5 Pd5 C15 C16 -29.47(15) no 3_857 . . 3_857
C15 Pd5 Pd5 C14 -162.63(11) no . . 3_857 3_857
C15 Pd5 Pd5 C15 180.00(11) no . . 3_857 3_857
C15 Pd5 Pd5 C16 19.48(11) no . . 3_857 3_857
C15 Pd5 Pd5 C17 2.28(11) no . . 3_857 3_857
Pd5 Pd5 C16 C15 29.74(15) no 3_857 . . 3_857
Pd5 Pd5 C16 C17 151.88(16) no 3_857 . . .
C16 Pd5 Pd5 C14 -2.11(11) no . . 3_857 3_857
C16 Pd5 Pd5 C15 -19.48(11) no . . 3_857 3_857
C16 Pd5 Pd5 C16 -180.00(11) no . . 3_857 3_857
C16 Pd5 Pd5 C17 162.80(11) no . . 3_857 3_857
Pd5 Pd5 C17 C16 -27.58(15) no 3_857 . . .
Pd5 Pd5 C17 C18 -153.36(14) no 3_857 . . .
C17 Pd5 Pd5 C14 15.09(10) no . . 3_857 3_857
C17 Pd5 Pd5 C15 -2.28(10) no . . 3_857 3_857
C17 Pd5 Pd5 C16 -162.80(10) no . . 3_857 3_857
C17 Pd5 Pd5 C17 -180.00(10) no . . 3_857 3_857
C14 Pd5 C15 C14 0.00(16) no . . . .
C14 Pd5 C15 C16 122.5(3) no . . . 3_857
C15 Pd5 C14 C13 125.0(3) no . . . .
C15 Pd5 C14 C15 0.00(16) no . . . .
C14 Pd5 C17 C16 178.20(17) no . . . .
C14 Pd5 C17 C18 52.4(3) no . . . .
C17 Pd5 C14 C13 -53.1(3) no . . . .
C17 Pd5 C14 C15 -178.05(17) no . . . .
C15 Pd5 C16 C15 59.6(3) no . . . 3_857
C15 Pd5 C16 C17 -178.27(16) no . . . .
C16 Pd5 C15 C14 178.43(16) no . . . .
C16 Pd5 C15 C16 -59.0(3) no . . . 3_857
C16 Pd5 C17 C16 0.00(16) no . . . .
C16 Pd5 C17 C18 -125.8(3) no . . . .
C17 Pd5 C16 C15 -122.1(3) no . . . 3_857
C17 Pd5 C16 C17 0.00(15) no . . . .
Pd1 C1 C2 C3 63.3(4) no . . . .
Pd1 C1 C6 Pd1 0.000(14) no . . . .
Pd1 C1 C6 C5 -116.4(3) no . . . .
Pd1 C1 C6 C7 64.7(3) no . . . .
C2 C1 C6 Pd1 112.1(4) no . . . .
C2 C1 C6 C5 -4.3(6) no . . . .
C2 C1 C6 C7 176.8(3) no . . . .
C6 C1 C2 C3 -18.9(5) no . . . .
C31 C1 C2 C3 -176.5(3) no . . . .
C31 C1 C6 Pd1 -93.1(4) no . . . .
C31 C1 C6 C5 150.6(3) no . . . .
C31 C1 C6 C7 -28.3(5) no . . . .
C1 C2 C3 C4 51.8(5) no . . . .
C2 C3 C4 C5 -65.5(5) no . . . .
C3 C4 C5 C6 42.3(5) no . . . .
C3 C4 C5 C32 158.1(4) no . . . .
C3 C4 C5 C33 -83.6(4) no . . . .
C4 C5 C6 Pd1 -95.3(4) no . . . .
C4 C5 C6 C1 -6.8(5) no . . . .
C4 C5 C6 C7 172.1(3) no . . . .
C32 C5 C6 Pd1 150.7(3) no . . . .
C32 C5 C6 C1 -120.7(4) no . . . .
C32 C5 C6 C7 58.2(4) no . . . .
C33 C5 C6 Pd1 28.0(4) no . . . .
C33 C5 C6 C1 116.6(4) no . . . .
C33 C5 C6 C7 -64.6(5) no . . . .
Pd1 C6 C7 Pd1 0.000(17) no . . . .
Pd1 C6 C7 C8 -110.1(3) no . . . .
C1 C6 C7 Pd1 -62.8(3) no . . . .
C1 C6 C7 C8 -172.9(3) no . . . .
C5 C6 C7 Pd1 118.3(3) no . . . .
C5 C6 C7 C8 8.2(6) no . . . .
Pd1 C7 C8 Pd2 25.9(3) no . . . .
Pd1 C7 C8 C9 100.2(4) no . . . .
C6 C7 C8 Pd2 108.4(4) no . . . .
C6 C7 C8 C9 -177.3(3) no . . . .
Pd2 C8 C9 Pd2 0.000(16) no . . . .
Pd2 C8 C9 C10 -96.7(3) no . . . .
Pd2 C8 C9 C34 95.8(3) no . . . .
C7 C8 C9 Pd2 -79.9(4) no . . . .
C7 C8 C9 C10 -176.6(3) no . . . .
C7 C8 C9 C34 15.9(6) no . . . .
Pd2 C9 C10 Pd3 33.0(2) no . . . .
Pd2 C9 C10 C11 107.7(3) no . . . .
C8 C9 C10 Pd3 103.3(3) no . . . .
C8 C9 C10 C11 178.0(3) no . . . .
C34 C9 C10 Pd3 -88.7(3) no . . . .
C34 C9 C10 C11 -14.0(6) no . . . .
Pd3 C10 C11 Pd3 -0.000(16) no . . . .
Pd3 C10 C11 C12 -93.9(3) no . . . .
C9 C10 C11 Pd3 -84.6(4) no . . . .
C9 C10 C11 C12 -178.6(3) no . . . .
Pd3 C11 C12 Pd4 31.1(2) no . . . .
Pd3 C11 C12 C13 105.8(4) no . . . .
C10 C11 C12 Pd4 103.8(4) no . . . .
C10 C11 C12 C13 178.5(3) no . . . .
Pd4 C12 C13 Pd4 0.000(15) no . . . .
Pd4 C12 C13 C14 -89.9(3) no . . . .
Pd4 C12 C13 C35 98.5(3) no . . . .
C11 C12 C13 Pd4 -86.7(4) no . . . .
C11 C12 C13 C14 -176.6(3) no . . . .
C11 C12 C13 C35 11.7(6) no . . . .
Pd4 C13 C14 Pd5 35.3(2) no . . . .
Pd4 C13 C14 C15 110.0(3) no . . . .
C12 C13 C14 Pd5 106.6(3) no . . . .
C12 C13 C14 C15 -178.7(3) no . . . .
C35 C13 C14 Pd5 -81.5(4) no . . . .
C35 C13 C14 C15 -6.9(6) no . . . .
Pd5 C14 C15 Pd5 0.000(15) no . . . .
Pd5 C14 C15 C16 -89.0(3) no . . . 3_857
C13 C14 C15 Pd5 -89.8(4) no . . . .
C13 C14 C15 C16 -178.8(3) no . . . 3_857
Pd5 C15 C16 Pd5 34.1(2) no . . 3_857 3_857
Pd5 C15 C16 C17 107.6(3) no . . 3_857 3_857
C14 C15 C16 Pd5 107.8(4) no . . 3_857 3_857
C14 C15 C16 C17 -178.7(3) no . . 3_857 3_857
Pd5 C16 C17 Pd5 0.000(15) no . . . .
Pd5 C16 C17 C18 87.6(3) no . . . .
C15 C16 C17 Pd5 90.5(4) no 3_857 . . .
C15 C16 C17 C18 178.1(3) no 3_857 . . .
Pd5 C17 C18 Pd4 -35.2(2) no . . . .
Pd5 C17 C18 C19 -106.0(3) no . . . .
Pd5 C17 C18 C36 81.8(3) no . . . .
C16 C17 C18 Pd4 -109.7(4) no . . . .
C16 C17 C18 C19 179.4(3) no . . . .
C16 C17 C18 C36 7.3(6) no . . . .
Pd4 C18 C19 Pd4 0.000(16) no . . . .
Pd4 C18 C19 C20 88.4(3) no . . . .
C17 C18 C19 Pd4 91.7(3) no . . . .
C17 C18 C19 C20 -180.0(3) no . . . .
C36 C18 C19 Pd4 -96.4(3) no . . . .
C36 C18 C19 C20 -8.1(6) no . . . .
Pd4 C19 C20 Pd3 -32.7(2) no . . . .
Pd4 C19 C20 C21 -105.5(3) no . . . .
C18 C19 C20 Pd3 -109.5(4) no . . . .
C18 C19 C20 C21 177.7(3) no . . . .
Pd3 C20 C21 Pd3 -0.000(16) no . . . .
Pd3 C20 C21 C22 86.2(3) no . . . .
C19 C20 C21 Pd3 93.1(3) no . . . .
C19 C20 C21 C22 179.2(3) no . . . .
Pd3 C21 C22 Pd2 -36.9(2) no . . . .
Pd3 C21 C22 C23 -107.5(3) no . . . .
Pd3 C21 C22 C37 81.6(3) no . . . .
C20 C21 C22 Pd2 -112.2(4) no . . . .
C20 C21 C22 C23 177.2(3) no . . . .
C20 C21 C22 C37 6.3(5) no . . . .
Pd2 C22 C23 Pd2 0.000(16) no . . . .
Pd2 C22 C23 C24 83.2(3) no . . . .
C21 C22 C23 Pd2 93.8(3) no . . . .
C21 C22 C23 C24 176.9(3) no . . . .
C37 C22 C23 Pd2 -95.6(3) no . . . .
C37 C22 C23 C24 -12.5(5) no . . . .
Pd2 C23 C24 Pd1 -31.9(2) no . . . .
Pd2 C23 C24 C25 -113.2(3) no . . . .
C22 C23 C24 Pd1 -106.5(4) no . . . .
C22 C23 C24 C25 172.2(3) no . . . .
Pd1 C24 C25 Pd1 -0.000(15) no . . . .
Pd1 C24 C25 C26 -116.4(3) no . . . .
Pd1 C24 C25 C30 63.3(2) no . . . .
C23 C24 C25 Pd1 104.3(4) no . . . .
C23 C24 C25 C26 -12.1(6) no . . . .
C23 C24 C25 C30 167.5(3) no . . . .
Pd1 C25 C26 C27 103.1(3) no . . . .
Pd1 C25 C26 C38 -18.6(4) no . . . .
Pd1 C25 C26 C39 -140.8(2) no . . . .
Pd1 C25 C30 Pd1 0.000(12) no . . . .
Pd1 C25 C30 C29 -115.3(3) no . . . .
Pd1 C25 C30 C40 87.7(3) no . . . .
C24 C25 C26 C27 -167.2(3) no . . . .
C24 C25 C26 C38 71.2(4) no . . . .
C24 C25 C26 C39 -51.1(4) no . . . .
C24 C25 C30 Pd1 -63.1(3) no . . . .
C24 C25 C30 C29 -178.3(3) no . . . .
C24 C25 C30 C40 24.6(5) no . . . .
C26 C25 C30 Pd1 116.6(3) no . . . .
C26 C25 C30 C29 1.3(5) no . . . .
C26 C25 C30 C40 -155.7(3) no . . . .
C30 C25 C26 C27 13.2(5) no . . . .
C30 C25 C26 C38 -108.5(4) no . . . .
C30 C25 C26 C39 129.3(3) no . . . .
C25 C26 C27 C28 -46.4(4) no . . . .
C38 C26 C27 C28 77.8(4) no . . . .
C39 C26 C27 C28 -164.7(3) no . . . .
C26 C27 C28 C29 65.0(5) no . . . .
C27 C28 C29 C30 -47.9(5) no . . . .
C28 C29 C30 Pd1 -66.4(5) no . . . .
C28 C29 C30 C25 16.7(5) no . . . .
C28 C29 C30 C40 176.1(3) no . . . .
C42 C41 C46 C45 0.2(6) no . . . .
C46 C41 C42 C43 1.2(6) no . . . .
C42 C41 B1 C49 68.4(4) no . . . .
C42 C41 B1 C57 -53.4(5) no . . . .
C42 C41 B1 C65 -169.7(3) no . . . .
B1 C41 C42 C43 179.9(3) no . . . .
C46 C41 B1 C49 -113.0(4) no . . . .
C46 C41 B1 C57 125.2(4) no . . . .
C46 C41 B1 C65 8.9(5) no . . . .
B1 C41 C46 C45 -178.4(3) no . . . .
C41 C42 C43 C44 -1.0(6) no . . . .
C41 C42 C43 C47 176.1(3) no . . . .
C42 C43 C44 C45 -0.7(7) no . . . .
C42 C43 C47 F1 153.2(4) no . . . .
C42 C43 C47 F2 -92.9(5) no . . . .
C42 C43 C47 F3 22.8(7) no . . . .
C44 C43 C47 F1 -29.7(6) no . . . .
C44 C43 C47 F2 84.1(6) no . . . .
C44 C43 C47 F3 -160.2(4) no . . . .
C47 C43 C44 C45 -177.8(4) no . . . .
C43 C44 C45 C46 2.1(7) no . . . .
C43 C44 C45 C48 179.9(4) no . . . .
C44 C45 C46 C41 -1.9(7) no . . . .
C44 C45 C48 F4 -77.5(6) no . . . .
C44 C45 C48 F5 29.5(8) no . . . .
C44 C45 C48 F6 171.6(5) no . . . .
C46 C45 C48 F4 100.3(5) no . . . .
C46 C45 C48 F5 -152.8(5) no . . . .
C46 C45 C48 F6 -10.6(8) no . . . .
C48 C45 C46 C41 -179.6(4) no . . . .
C50 C49 C54 C53 0.5(5) no . . . .
C54 C49 C50 C51 1.7(5) no . . . .
C50 C49 B1 C41 155.0(3) no . . . .
C50 C49 B1 C57 -84.2(4) no . . . .
C50 C49 B1 C65 34.7(5) no . . . .
B1 C49 C50 C51 -179.5(3) no . . . .
C54 C49 B1 C41 -26.3(5) no . . . .
C54 C49 B1 C57 94.6(4) no . . . .
C54 C49 B1 C65 -146.5(3) no . . . .
B1 C49 C54 C53 -178.3(3) no . . . .
C49 C50 C51 C52 -2.2(6) no . . . .
C49 C50 C51 C55 174.8(3) no . . . .
C50 C51 C52 C53 0.5(6) no . . . .
C50 C51 C55 F7 -61.0(6) no . . . .
C50 C51 C55 F8 57.2(6) no . . . .
C50 C51 C55 F9 178.0(4) no . . . .
C52 C51 C55 F7 116.0(5) no . . . .
C52 C51 C55 F8 -125.8(5) no . . . .
C52 C51 C55 F9 -5.0(7) no . . . .
C55 C51 C52 C53 -176.4(4) no . . . .
C51 C52 C53 C54 1.6(7) no . . . .
C51 C52 C53 C56 -180.0(4) no . . . .
C52 C53 C54 C49 -2.1(6) no . . . .
C52 C53 C56 F10 58.2(6) no . . . .
C52 C53 C56 F11 -61.1(6) no . . . .
C52 C53 C56 F12 177.5(4) no . . . .
C54 C53 C56 F10 -123.4(5) no . . . .
C54 C53 C56 F11 117.3(5) no . . . .
C54 C53 C56 F12 -4.1(7) no . . . .
C56 C53 C54 C49 179.5(4) no . . . .
C58 C57 C62 C61 -0.4(5) no . . . .
C62 C57 C58 C59 0.3(5) no . . . .
C58 C57 B1 C41 160.9(3) no . . . .
C58 C57 B1 C49 38.5(4) no . . . .
C58 C57 B1 C65 -82.3(4) no . . . .
B1 C57 C58 C59 173.8(3) no . . . .
C62 C57 B1 C41 -26.0(4) no . . . .
C62 C57 B1 C49 -148.4(3) no . . . .
C62 C57 B1 C65 90.8(4) no . . . .
B1 C57 C62 C61 -173.9(3) no . . . .
C57 C58 C59 C60 0.1(6) no . . . .
C57 C58 C59 C63 179.0(3) no . . . .
C58 C59 C60 C61 -0.3(6) no . . . .
C58 C59 C63 F13 14.6(6) no . . . .
C58 C59 C63 F14 133.7(4) no . . . .
C58 C59 C63 F15 -111.8(4) no . . . .
C60 C59 C63 F13 -166.4(4) no . . . .
C60 C59 C63 F14 -47.3(5) no . . . .
C60 C59 C63 F15 67.1(5) no . . . .
C63 C59 C60 C61 -179.2(3) no . . . .
C59 C60 C61 C62 0.1(5) no . . . .
C59 C60 C61 C64 178.6(3) no . . . .
C60 C61 C62 C57 0.2(5) no . . . .
C60 C61 C64 F16 13.0(5) no . . . .
C60 C61 C64 F17 -107.3(4) no . . . .
C60 C61 C64 F18 132.1(4) no . . . .
C62 C61 C64 F16 -168.5(3) no . . . .
C62 C61 C64 F17 71.2(4) no . . . .
C62 C61 C64 F18 -49.4(5) no . . . .
C64 C61 C62 C57 -178.4(3) no . . . .
C66 C65 C70 C69 0.9(5) no . . . .
C70 C65 C66 C67 0.5(5) no . . . .
C66 C65 B1 C41 -89.6(4) no . . . .
C66 C65 B1 C49 32.7(4) no . . . .
C66 C65 B1 C57 153.2(3) no . . . .
B1 C65 C66 C67 176.6(3) no . . . .
C70 C65 B1 C41 86.3(4) no . . . .
C70 C65 B1 C49 -151.4(3) no . . . .
C70 C65 B1 C57 -30.9(4) no . . . .
B1 C65 C70 C69 -175.3(3) no . . . .
C65 C66 C67 C68 -1.1(6) no . . . .
C65 C66 C67 C71 176.7(3) no . . . .
C66 C67 C68 C69 0.4(5) no . . . .
C66 C67 C71 F19 22.4(5) no . . . .
C66 C67 C71 F20 -100.5(4) no . . . .
C66 C67 C71 F21 139.4(4) no . . . .
C68 C67 C71 F19 -159.7(3) no . . . .
C68 C67 C71 F20 77.4(5) no . . . .
C68 C67 C71 F21 -42.7(5) no . . . .
C71 C67 C68 C69 -177.5(3) no . . . .
C67 C68 C69 C70 0.9(5) no . . . .
C67 C68 C69 C72 -178.8(3) no . . . .
C68 C69 C70 C65 -1.6(6) no . . . .
C68 C69 C72 F22 -165.8(3) no . . . .
C68 C69 C72 F23 -44.5(5) no . . . .
C68 C69 C72 F24 73.0(4) no . . . .
C70 C69 C72 F22 14.6(5) no . . . .
C70 C69 C72 F23 135.8(4) no . . . .
C70 C69 C72 F24 -106.7(4) no . . . .
C72 C69 C70 C65 178.1(3) no . . . .
C74 C73 C78 C77 -1.6(12) no . . . .
C78 C73 C74 C75 -1.3(14) no . . . .
C79 C73 C74 C75 -179.6(8) no . . . .
C79 C73 C78 C77 176.7(7) no . . . .
C73 C74 C75 C76 1.6(14) no . . . .
C74 C75 C76 C77 1.4(15) no . . . .
C75 C76 C77 C78 -4.3(15) no . . . .
C76 C77 C78 C73 4.5(14) no . . . .
C81 C80 C85 C84 -1(3) no . . . .
C85 C80 C81 C82 -2(2) no . . . .
C86 C80 C81 C82 178.9(15) no . . . .
C86 C80 C85 C84 177.7(18) no . . . .
C80 C81 C82 C83 -8(3) no . . . .
C81 C82 C83 C84 20(3) no . . . .
C82 C83 C84 C85 -21.5(19) no . . . .
C83 C84 C85 C80 14(3) no . . . .
