#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:24:38 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178811 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/65/4106583.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_4106583
loop_
_publ_author_name
'Shinnosuke Horiuchi'
'Takashi Murase'
'Makoto Fujita'
_publ_contact_author             'Makoto Fujita'
_publ_contact_author_email       mfujita@appchem.t.u-tokyo.ac.jp
_publ_section_title
;
 Noncovalent Trapping and Stabilization of Dinuclear Ruthenium Complexes
 within a Coordination Cage
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12445
_journal_page_last               12447
_journal_paper_doi               10.1021/ja205450a
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C260 H316 N78.89 O120.31 Pd12 Ru4'
_chemical_formula_weight         8152.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.987(4)
_cell_angle_beta                 92.098(4)
_cell_angle_gamma                107.123(4)
_cell_formula_units_Z            2
_cell_length_a                   27.580(9)
_cell_length_b                   27.638(9)
_cell_length_c                   32.095(11)
_cell_measurement_reflns_used    8356
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      24.396
_cell_measurement_theta_min      3.761
_cell_volume                     22839(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX-II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  'focusing mirror'
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0634
_diffrn_reflns_av_sigmaI/netI    0.1047
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            279318
_diffrn_reflns_theta_full        28.69
_diffrn_reflns_theta_max         28.69
_diffrn_reflns_theta_min         3.70
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.661
_exptl_absorpt_correction_T_max  0.9614
_exptl_absorpt_correction_T_min  0.8574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_description       Needle
_exptl_crystal_F_000             8237
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_refine_diff_density_max         4.229
_refine_diff_density_min         -2.813
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3885
_refine_ls_number_reflns         115205
_refine_ls_number_restraints     449
_refine_ls_restrained_S_all      1.177
_refine_ls_R_factor_all          0.2206
_refine_ls_R_factor_gt           0.1153
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3170
_refine_ls_wR_factor_ref         0.3926
_reflns_number_gt                50838
_reflns_number_total             115205
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja205450a_si_002.cif
_cod_data_source_block           p-1
_cod_database_code               4106583
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.75312(2) 0.71459(2) 0.17773(2) 0.04826(16) Uani 1 1 d . . .
Pd2 Pd 0.35310(2) 0.31781(2) 0.18068(2) 0.04751(16) Uani 1 1 d . A .
Pd3 Pd 0.55363(3) 0.65407(3) 0.53902(2) 0.05222(18) Uani 1 1 d . . .
Pd4 Pd 0.31219(2) 0.68600(3) 0.001565(19) 0.04914(16) Uani 1 1 d . A .
Pd5 Pd 0.50707(2) 1.02166(2) 0.35784(2) 0.04426(15) Uani 1 1 d . B .
Pd6 Pd 0.11094(3) 0.62926(3) 0.36604(3) 0.0641(2) Uani 1 1 d . C .
Pd7 Pd -0.17116(2) 0.60782(3) 0.53830(2) 0.04747(16) Uani 1 1 d . . .
Pd8 Pd 0.28202(2) 0.60203(3) 0.68765(2) 0.04768(16) Uani 1 1 d . . .
Pd9 Pd -0.06809(3) 0.64633(3) 0.93925(2) 0.0689(2) Uani 1 1 d . . .
Pd10 Pd 0.33158(3) 1.04681(3) 0.93946(3) 0.0653(2) Uani 1 1 d . . .
Pd11 Pd -0.11731(4) 1.04812(4) 0.80840(4) 0.1078(4) Uani 1 1 d D . .
Pd12 Pd 0.22143(3) 0.99441(3) 0.53425(3) 0.0810(3) Uani 1 1 d . . .
C1A C 0.7171(3) 0.7171(3) 0.2632(3) 0.054(2) Uani 1 1 d . . .
H1AA H 0.7318 0.6901 0.2631 0.065 Uiso 1 1 calc R . .
C2A C 0.6930(3) 0.7335(3) 0.2990(3) 0.057(2) Uani 1 1 d . . .
H2AA H 0.6905 0.7170 0.3226 0.068 Uiso 1 1 calc R . .
C3A C 0.6732(3) 0.7741(3) 0.2988(3) 0.0483(19) Uani 1 1 d . . .
C4A C 0.6764(4) 0.7962(3) 0.2639(3) 0.056(2) Uani 1 1 d . . .
H4AA H 0.6624 0.8236 0.2630 0.067 Uiso 1 1 calc R . .
C5A C 0.7003(3) 0.7782(3) 0.2301(3) 0.055(2) Uani 1 1 d . . .
H5AA H 0.7031 0.7943 0.2062 0.066 Uiso 1 1 calc R . .
C6A C 0.5767(3) 0.9601(3) 0.3359(3) 0.0458(18) Uani 1 1 d . . .
H6AA H 0.5823 0.9783 0.3133 0.055 Uiso 1 1 calc R . .
C7A C 0.5985(3) 0.9206(3) 0.3363(2) 0.0469(18) Uani 1 1 d . . .
H7AA H 0.6200 0.9130 0.3152 0.056 Uiso 1 1 calc R . .
C8A C 0.5883(3) 0.8926(3) 0.3682(2) 0.0444(18) Uani 1 1 d . . .
C9A C 0.5586(3) 0.9057(3) 0.3991(2) 0.0501(19) Uani 1 1 d . . .
H9AA H 0.5513 0.8870 0.4213 0.060 Uiso 1 1 calc R . .
C10A C 0.5394(3) 0.9462(3) 0.3979(3) 0.051(2) Uani 1 1 d . . .
H10A H 0.5195 0.9554 0.4197 0.061 Uiso 1 1 calc R . .
C11A C 0.5670(4) 0.7425(4) 0.4984(3) 0.065(3) Uani 1 1 d . . .
H11A H 0.5478 0.7526 0.5205 0.078 Uiso 1 1 calc R . .
C12A C 0.5791(4) 0.7729(4) 0.4664(3) 0.060(2) Uani 1 1 d . . .
H12A H 0.5694 0.8034 0.4675 0.072 Uiso 1 1 calc R . .
C13A C 0.6055(3) 0.7556(3) 0.4338(3) 0.053(2) Uani 1 1 d . . .
C14A C 0.6214(4) 0.7129(4) 0.4348(3) 0.063(2) Uani 1 1 d . . .
H14A H 0.6407 0.7017 0.4132 0.076 Uiso 1 1 calc R . .
C15A C 0.6093(4) 0.6861(4) 0.4677(3) 0.058(2) Uani 1 1 d . . .
H15A H 0.6207 0.6570 0.4685 0.070 Uiso 1 1 calc R . .
C16A C 0.6481(3) 0.7921(3) 0.3360(2) 0.0451(18) Uani 1 1 d . . .
C17A C 0.6085(3) 0.8477(3) 0.3676(2) 0.0430(17) Uani 1 1 d . . .
C18A C 0.6172(3) 0.7843(3) 0.3995(3) 0.0494(19) Uani 1 1 d . . .
C19A C 0.6529(4) 0.6873(4) 0.1284(3) 0.064(2) Uani 1 1 d . . .
H19A H 0.6663 0.7212 0.1232 0.077 Uiso 1 1 calc R . .
C20A C 0.6036(3) 0.6582(4) 0.1125(3) 0.060(2) Uani 1 1 d . . .
H20A H 0.5835 0.6721 0.0965 0.072 Uiso 1 1 calc R . .
C21A C 0.5836(3) 0.6093(3) 0.1198(3) 0.0506(19) Uani 1 1 d . . .
C22A C 0.6138(3) 0.5908(3) 0.1430(3) 0.054(2) Uani 1 1 d . . .
H22A H 0.6013 0.5569 0.1483 0.065 Uiso 1 1 calc R . .
C23A C 0.6631(3) 0.6219(3) 0.1589(3) 0.055(2) Uani 1 1 d . . .
H23A H 0.6834 0.6091 0.1759 0.066 Uiso 1 1 calc R . .
C24A C 0.4393(3) 0.3979(3) 0.1594(3) 0.055(2) Uani 1 1 d . . .
H24A H 0.4584 0.3832 0.1758 0.066 Uiso 1 1 calc R . .
C25A C 0.4645(3) 0.4419(3) 0.1438(3) 0.058(2) Uani 1 1 d . . .
H25A H 0.5005 0.4566 0.1490 0.070 Uiso 1 1 calc R . .
C26A C 0.4366(3) 0.4636(3) 0.1208(3) 0.052(2) Uani 1 1 d . . .
C27A C 0.3841(3) 0.4409(4) 0.1135(3) 0.061(2) Uani 1 1 d . . .
H27A H 0.3640 0.4556 0.0982 0.073 Uiso 1 1 calc R . .
C28A C 0.3611(3) 0.3964(3) 0.1287(3) 0.054(2) Uani 1 1 d . . .
H28A H 0.3253 0.3802 0.1228 0.065 Uiso 1 1 calc R . .
C29A C 0.3406(4) 0.5989(4) 0.0240(3) 0.061(2) Uani 1 1 d . . .
H29A H 0.3052 0.5816 0.0172 0.074 Uiso 1 1 calc R . .
C30A C 0.3695(3) 0.5738(4) 0.0415(3) 0.061(2) Uani 1 1 d . . .
H30A H 0.3540 0.5404 0.0471 0.073 Uiso 1 1 calc R . .
C31A C 0.4209(3) 0.5973(3) 0.0509(3) 0.052(2) Uani 1 1 d . . .
C32A C 0.4418(4) 0.6455(4) 0.0412(3) 0.062(2) Uani 1 1 d . . .
H32A H 0.4774 0.6629 0.0462 0.074 Uiso 1 1 calc R . .
C33A C 0.4086(4) 0.6678(4) 0.0237(3) 0.063(2) Uani 1 1 d . . .
H33A H 0.4226 0.7008 0.0170 0.075 Uiso 1 1 calc R . .
C34A C 0.5295(3) 0.5800(3) 0.1051(3) 0.051(2) Uani 1 1 d . . .
C35A C 0.4602(3) 0.5115(3) 0.1059(3) 0.0499(19) Uani 1 1 d . . .
C36A C 0.4529(3) 0.5748(3) 0.0736(3) 0.053(2) Uani 1 1 d . . .
C37A C 0.3071(3) 0.3889(4) 0.2327(3) 0.059(2) Uani 1 1 d . . .
H37A H 0.2796 0.3727 0.2110 0.071 Uiso 1 1 calc R . .
C38A C 0.3019(3) 0.4266(4) 0.2651(3) 0.067(3) Uani 1 1 d . . .
H38A H 0.2719 0.4369 0.2654 0.081 Uiso 1 1 calc R . .
C39A C 0.3417(3) 0.4497(4) 0.2979(3) 0.055(2) Uani 1 1 d . . .
C40A C 0.3860(3) 0.4354(3) 0.2945(3) 0.051(2) Uani 1 1 d . . .
H40A H 0.4147 0.4517 0.3150 0.061 Uiso 1 1 calc R . .
C41A C 0.3872(3) 0.3971(3) 0.2604(2) 0.0449(18) Uani 1 1 d . . .
H41A H 0.4171 0.3867 0.2585 0.054 Uiso 1 1 calc R . .
C42A C 0.4994(4) 0.5837(3) 0.4580(3) 0.060(2) Uani 1 1 d . . .
H42A H 0.5306 0.5760 0.4556 0.072 Uiso 1 1 calc R . .
C43A C 0.4606(4) 0.5600(4) 0.4263(3) 0.063(2) Uani 1 1 d . . .
H43A H 0.4652 0.5361 0.4025 0.075 Uiso 1 1 calc R . .
C44A C 0.4134(4) 0.5706(4) 0.4285(3) 0.063(2) Uani 1 1 d . . .
C45A C 0.4109(4) 0.6082(4) 0.4657(3) 0.073(3) Uani 1 1 d . . .
H45A H 0.3808 0.6180 0.4689 0.088 Uiso 1 1 calc R . .
C46A C 0.4499(4) 0.6290(4) 0.4955(3) 0.070(3) Uani 1 1 d . . .
H46A H 0.4462 0.6528 0.5198 0.084 Uiso 1 1 calc R . .
C47A C 0.2020(5) 0.6115(4) 0.4014(3) 0.073(3) Uani 1 1 d . . .
H47A H 0.1991 0.6377 0.4242 0.087 Uiso 1 1 calc R . .
C48A C 0.2469(5) 0.5968(4) 0.4027(3) 0.079(3) Uani 1 1 d . . .
H48A H 0.2752 0.6143 0.4233 0.094 Uiso 1 1 calc R . .
C49A C 0.2459(4) 0.5539(4) 0.3707(3) 0.067(3) Uani 1 1 d . . .
C50A C 0.2051(4) 0.5321(4) 0.3393(3) 0.062(2) Uani 1 1 d . . .
H50A H 0.2048 0.5034 0.3175 0.074 Uiso 1 1 calc R . .
C51A C 0.1655(4) 0.5521(3) 0.3399(3) 0.062(2) Uani 1 1 d . . .
H51A H 0.1383 0.5378 0.3178 0.074 Uiso 1 1 calc R . .
C52A C 0.3376(4) 0.4886(4) 0.3337(3) 0.059(2) Uani 1 1 d . . .
C53A C 0.3731(4) 0.5458(4) 0.3960(3) 0.062(2) Uani 1 1 d . . .
C54A C 0.2921(4) 0.5356(4) 0.3680(3) 0.058(2) Uani 1 1 d . . .
C55A C 0.3467(3) 0.7503(3) 0.0882(3) 0.060(2) Uani 1 1 d . . .
H55A H 0.3717 0.7700 0.0733 0.072 Uiso 1 1 calc R . .
C56A C 0.3494(4) 0.7657(4) 0.1309(3) 0.063(2) Uani 1 1 d . . .
H56A H 0.3764 0.7948 0.1457 0.076 Uiso 1 1 calc R . .
C57A C 0.3121(3) 0.7383(3) 0.1529(3) 0.054(2) Uani 1 1 d . . .
C58A C 0.2759(4) 0.6952(4) 0.1306(3) 0.062(2) Uani 1 1 d . . .
H58A H 0.2508 0.6746 0.1448 0.074 Uiso 1 1 calc R . .
C59A C 0.2765(4) 0.6822(4) 0.0871(3) 0.061(2) Uani 1 1 d . . .
H59A H 0.2509 0.6523 0.0716 0.073 Uiso 1 1 calc R . .
C60A C 0.4181(3) 0.9295(3) 0.3448(3) 0.055(2) Uani 1 1 d . . .
H60A H 0.4165 0.9426 0.3742 0.066 Uiso 1 1 calc R . .
C61A C 0.3835(3) 0.8828(3) 0.3257(3) 0.053(2) Uani 1 1 d . . .
H61A H 0.3592 0.8638 0.3416 0.063 Uiso 1 1 calc R . .
C62A C 0.3846(3) 0.8640(3) 0.2830(3) 0.057(2) Uani 1 1 d . . .
C63A C 0.4216(4) 0.8919(4) 0.2623(3) 0.062(2) Uani 1 1 d . . .
H63A H 0.4241 0.8788 0.2331 0.074 Uiso 1 1 calc R . .
C64A C 0.4552(3) 0.9385(3) 0.2829(3) 0.057(2) Uani 1 1 d . . .
H64A H 0.4801 0.9579 0.2677 0.068 Uiso 1 1 calc R . .
C65A C 0.1591(4) 0.6529(4) 0.2884(3) 0.063(2) Uani 1 1 d . . .
H65A H 0.1319 0.6233 0.2746 0.076 Uiso 1 1 calc R . .
C66A C 0.1971(4) 0.6759(4) 0.2642(3) 0.068(3) Uani 1 1 d . . .
H66A H 0.1971 0.6614 0.2349 0.081 Uiso 1 1 calc R . .
C67A C 0.2347(3) 0.7207(4) 0.2848(3) 0.061(2) Uani 1 1 d . . .
C68A C 0.2342(4) 0.7394(4) 0.3280(3) 0.065(2) Uani 1 1 d . . .
H68A H 0.2595 0.7702 0.3425 0.079 Uiso 1 1 calc R . .
C69A C 0.1967(4) 0.7131(4) 0.3495(3) 0.063(2) Uani 1 1 d . . .
H69A H 0.1971 0.7256 0.3793 0.075 Uiso 1 1 calc R . .
C70A C 0.3125(3) 0.7561(3) 0.2005(3) 0.057(2) Uani 1 1 d . . .
C71A C 0.3456(3) 0.8149(4) 0.2602(3) 0.059(2) Uani 1 1 d . . .
C72A C 0.2768(3) 0.7481(4) 0.2602(3) 0.058(2) Uani 1 1 d . . .
C73A C -0.1404(3) 0.5935(3) 0.6229(3) 0.054(2) Uani 1 1 d . . .
H73A H -0.1738 0.5944 0.6280 0.065 Uiso 1 1 calc R . .
C74A C -0.1082(3) 0.5917(3) 0.6563(3) 0.052(2) Uani 1 1 d . . .
H74A H -0.1190 0.5918 0.6841 0.062 Uiso 1 1 calc R . .
C75A C -0.0594(3) 0.5897(3) 0.6480(3) 0.051(2) Uani 1 1 d . . .
C76A C -0.0450(3) 0.5896(3) 0.6068(3) 0.0497(19) Uani 1 1 d . . .
H76A H -0.0122 0.5876 0.6004 0.060 Uiso 1 1 calc R . .
C77A C -0.0789(3) 0.5925(3) 0.5759(3) 0.053(2) Uani 1 1 d . . .
H77A H -0.0687 0.5934 0.5480 0.063 Uiso 1 1 calc R . .
C78A C 0.1733(3) 0.5845(4) 0.6573(3) 0.055(2) Uani 1 1 d . . .
H78A H 0.1850 0.5812 0.6297 0.066 Uiso 1 1 calc R . .
C79A C 0.1227(3) 0.5835(4) 0.6615(3) 0.056(2) Uani 1 1 d . . .
H79A H 0.1000 0.5797 0.6372 0.067 Uiso 1 1 calc R . .
C80A C 0.1068(3) 0.5882(4) 0.7018(3) 0.054(2) Uani 1 1 d . . .
C81A C 0.1405(3) 0.5924(4) 0.7362(3) 0.063(3) Uani 1 1 d . . .
H81A H 0.1299 0.5949 0.7642 0.076 Uiso 1 1 calc R . .
C82A C 0.1890(3) 0.5930(4) 0.7295(3) 0.065(3) Uani 1 1 d . . .
H82A H 0.2117 0.5955 0.7534 0.078 Uiso 1 1 calc R . .
C83A C -0.0036(3) 0.6207(4) 0.8729(3) 0.064(2) Uani 1 1 d . . .
H83A H 0.0189 0.6230 0.8968 0.077 Uiso 1 1 calc R . .
C84A C 0.0115(3) 0.6100(4) 0.8326(3) 0.064(2) Uani 1 1 d . . .
H84A H 0.0429 0.6030 0.8288 0.077 Uiso 1 1 calc R . .
C85A C -0.0195(3) 0.6097(3) 0.7981(3) 0.053(2) Uani 1 1 d . . .
C86A C -0.0649(3) 0.6182(4) 0.8039(3) 0.066(3) Uani 1 1 d . . .
H86A H -0.0869 0.6179 0.7803 0.079 Uiso 1 1 calc R . .
C87A C -0.0791(3) 0.6277(5) 0.8459(3) 0.070(3) Uani 1 1 d . . .
H87A H -0.1107 0.6340 0.8506 0.084 Uiso 1 1 calc R . .
C88A C -0.0227(3) 0.5908(3) 0.6834(3) 0.0468(18) Uani 1 1 d . . .
C89A C 0.0539(3) 0.5894(3) 0.7095(3) 0.0484(19) Uani 1 1 d . . .
C90A C -0.0046(3) 0.5997(3) 0.7540(3) 0.053(2) Uani 1 1 d . . .
C91A C -0.0920(3) 0.7067(4) 0.5479(3) 0.064(2) Uani 1 1 d . . .
H91A H -0.0812 0.6876 0.5242 0.077 Uiso 1 1 calc R . .
C92A C -0.0626(4) 0.7575(4) 0.5655(3) 0.070(3) Uani 1 1 d . . .
H92A H -0.0322 0.7734 0.5540 0.085 Uiso 1 1 calc R . .
C93A C -0.0789(3) 0.7837(4) 0.5999(3) 0.061(2) Uani 1 1 d . . .
C94A C -0.1243(4) 0.7608(4) 0.6148(3) 0.063(2) Uani 1 1 d . . .
H94A H -0.1367 0.7796 0.6376 0.076 Uiso 1 1 calc R . .
C95A C -0.1519(3) 0.7101(4) 0.5963(3) 0.056(2) Uani 1 1 d . . .
H95A H -0.1827 0.6938 0.6071 0.067 Uiso 1 1 calc R . .
C96A C -0.1192(5) 0.9548(5) 0.7459(4) 0.098(4) Uani 1 1 d . . .
H96A H -0.1510 0.9398 0.7559 0.117 Uiso 1 1 calc R . .
C97A C -0.1005(5) 0.9258(5) 0.7148(4) 0.085(3) Uani 1 1 d . . .
H97A H -0.1202 0.8909 0.7035 0.102 Uiso 1 1 calc R . .
C98A C -0.0552(4) 0.9444(4) 0.6996(4) 0.077(3) Uani 1 1 d . . .
C99A C -0.0269(5) 0.9949(4) 0.7165(4) 0.087(3) Uani 1 1 d . . .
H99A H 0.0052 1.0097 0.7069 0.104 Uiso 1 1 calc R . .
C100 C -0.0475(6) 1.0252(5) 0.7495(5) 0.099(4) Uani 1 1 d . . .
H10D H -0.0281 1.0600 0.7617 0.119 Uiso 1 1 calc R . .
C101 C 0.1403(4) 0.9983(4) 0.5935(5) 0.089(4) Uani 1 1 d . . .
H10E H 0.1609 1.0332 0.6036 0.107 Uiso 1 1 calc R . .
C102 C 0.0985(4) 0.9805(4) 0.6140(4) 0.084(3) Uani 1 1 d . . .
H10F H 0.0907 1.0023 0.6377 0.101 Uiso 1 1 calc R . .
C103 C 0.0684(4) 0.9313(4) 0.6001(4) 0.075(3) Uani 1 1 d . . .
C104 C 0.0824(5) 0.9009(5) 0.5649(4) 0.094(4) Uani 1 1 d . . .
H10G H 0.0621 0.8660 0.5542 0.112 Uiso 1 1 calc R . .
C105 C 0.1262(4) 0.9223(4) 0.5461(4) 0.085(3) Uani 1 1 d . . .
H10H H 0.1355 0.9014 0.5226 0.102 Uiso 1 1 calc R . .
C106 C -0.0486(4) 0.8381(4) 0.6191(4) 0.074(3) Uani 1 1 d . . .
C107 C -0.0367(4) 0.9138(4) 0.6649(4) 0.074(3) Uani 1 1 d . . .
C108 C 0.0222(5) 0.9079(5) 0.6192(4) 0.083(3) Uani 1 1 d . . .
C109 C 0.2965(4) 0.7095(4) 0.7325(3) 0.068(3) Uani 1 1 d . . .
H10I H 0.3021 0.6957 0.7566 0.082 Uiso 1 1 calc R . .
C110 C 0.2975(4) 0.7593(4) 0.7390(3) 0.073(3) Uani 1 1 d . . .
H11E H 0.3015 0.7791 0.7672 0.088 Uiso 1 1 calc R . .
C111 C 0.2927(3) 0.7819(4) 0.7044(3) 0.056(2) Uani 1 1 d . . .
C112 C 0.2845(4) 0.7501(4) 0.6631(3) 0.063(2) Uani 1 1 d . . .
H11F H 0.2804 0.7637 0.6386 0.075 Uiso 1 1 calc R . .
C113 C 0.2828(4) 0.6994(4) 0.6592(3) 0.072(3) Uani 1 1 d . . .
H11G H 0.2778 0.6780 0.6315 0.087 Uiso 1 1 calc R . .
C114 C 0.3139(4) 1.0226(4) 0.8455(3) 0.069(3) Uani 1 1 d . . .
H11H H 0.3120 1.0569 0.8497 0.083 Uiso 1 1 calc R . .
C115 C 0.3049(4) 0.9932(3) 0.8054(3) 0.067(3) Uani 1 1 d . . .
H11I H 0.2954 1.0065 0.7823 0.081 Uiso 1 1 calc R . .
C116 C 0.3095(4) 0.9440(4) 0.7980(3) 0.061(2) Uani 1 1 d . . .
C117 C 0.3227(4) 0.9260(4) 0.8335(3) 0.069(3) Uani 1 1 d . . .
H11J H 0.3264 0.8924 0.8297 0.083 Uiso 1 1 calc R . .
C118 C 0.3302(4) 0.9566(3) 0.8733(3) 0.064(2) Uani 1 1 d . . .
H11K H 0.3391 0.9439 0.8970 0.076 Uiso 1 1 calc R . .
C119 C 0.2471(4) 0.9165(4) 0.5736(3) 0.075(3) Uani 1 1 d . . .
H11L H 0.2362 0.8951 0.5460 0.091 Uiso 1 1 calc R . .
C120 C 0.2601(4) 0.8957(4) 0.6081(3) 0.071(3) Uani 1 1 d . . .
H12E H 0.2581 0.8602 0.6033 0.085 Uiso 1 1 calc R . .
C121 C 0.2748(3) 0.9252(4) 0.6468(3) 0.061(2) Uani 1 1 d . . .
C122 C 0.2777(4) 0.9781(4) 0.6534(3) 0.063(2) Uani 1 1 d . . .
H12F H 0.2875 1.0002 0.6808 0.076 Uiso 1 1 calc R . .
C123 C 0.2657(4) 0.9968(4) 0.6180(3) 0.065(2) Uani 1 1 d . . .
H12G H 0.2688 1.0325 0.6215 0.078 Uiso 1 1 calc R . .
C124 C 0.2940(4) 0.8358(4) 0.7104(3) 0.058(2) Uani 1 1 d . . .
C125 C 0.3015(4) 0.9122(4) 0.7549(3) 0.063(2) Uani 1 1 d . . .
C126 C 0.2853(4) 0.9027(4) 0.6843(3) 0.064(2) Uani 1 1 d . . .
C127 C -0.0664(4) 0.7482(5) 0.9231(4) 0.084(3) Uani 1 1 d . . .
H12H H -0.1021 0.7316 0.9180 0.101 Uiso 1 1 calc R . .
C128 C -0.0480(4) 0.7992(4) 0.9168(4) 0.076(3) Uani 1 1 d . . .
H12I H -0.0700 0.8163 0.9070 0.091 Uiso 1 1 calc R . .
C129 C 0.0042(4) 0.8231(4) 0.9258(3) 0.067(3) Uani 1 1 d . . .
C130 C 0.0341(4) 0.7954(5) 0.9387(4) 0.083(3) Uani 1 1 d . . .
H13D H 0.0700 0.8108 0.9442 0.099 Uiso 1 1 calc R . .
C131 C 0.0123(4) 0.7458(4) 0.9435(4) 0.077(3) Uani 1 1 d . . .
H13E H 0.0337 0.7280 0.9530 0.092 Uiso 1 1 calc R . .
C132 C -0.0293(5) 1.0466(5) 0.8631(4) 0.084(3) Uani 1 1 d . . .
H13F H -0.0157 1.0807 0.8583 0.101 Uiso 1 1 calc R . .
C133 C 0.0031(5) 1.0259(5) 0.8809(3) 0.080(3) Uani 1 1 d . . .
H13G H 0.0386 1.0437 0.8865 0.096 Uiso 1 1 calc R . .
C134 C -0.0183(4) 0.9770(5) 0.8906(3) 0.077(3) Uani 1 1 d . . .
C135 C -0.0706(4) 0.9523(5) 0.8813(3) 0.079(3) Uani 1 1 d . . .
H13H H -0.0868 0.9201 0.8888 0.095 Uiso 1 1 calc R . .
C136 C -0.0979(4) 0.9773(5) 0.8604(4) 0.079(3) Uani 1 1 d . . .
H13J H -0.1330 0.9597 0.8518 0.094 Uiso 1 1 calc R . .
C137 C 0.2352(5) 0.9692(4) 0.9464(4) 0.086(3) Uani 1 1 d . . .
H13K H 0.2571 0.9531 0.9578 0.103 Uiso 1 1 calc R . .
C138 C 0.1823(4) 0.9443(4) 0.9399(4) 0.086(3) Uani 1 1 d . . .
H13L H 0.1691 0.9101 0.9444 0.103 Uiso 1 1 calc R . .
C139 C 0.1498(4) 0.9690(4) 0.9273(3) 0.070(3) Uani 1 1 d . . .
C140 C 0.1703(4) 1.0184(4) 0.9192(4) 0.075(3) Uani 1 1 d . . .
H14E H 0.1489 1.0368 0.9105 0.090 Uiso 1 1 calc R . .
C141 C 0.2236(4) 1.0400(4) 0.9242(3) 0.075(3) Uani 1 1 d . . .
H14F H 0.2381 1.0736 0.9186 0.090 Uiso 1 1 calc R . .
C142 C 0.0254(5) 0.8769(4) 0.9214(3) 0.078(3) Uani 1 1 d . . .
C143 C 0.0147(4) 0.9496(4) 0.9052(3) 0.068(3) Uani 1 1 d . . .
C144 C 0.0939(4) 0.9466(4) 0.9220(4) 0.075(3) Uani 1 1 d . . .
C1BC C 0.8278(6) 0.8143(6) 0.2054(5) 0.128(5) Uiso 1 1 d . . .
H1BA H 0.8594 0.8317 0.1942 0.192 Uiso 1 1 calc R . .
H1BB H 0.8276 0.8317 0.2349 0.192 Uiso 1 1 calc R . .
H1BC H 0.7985 0.8157 0.1880 0.192 Uiso 1 1 calc R . .
C2BB C 0.8391(6) 0.7505(6) 0.2434(5) 0.119(5) Uiso 1 1 d . . .
H2BA H 0.8635 0.7818 0.2608 0.179 Uiso 1 1 calc R . .
H2BB H 0.8548 0.7227 0.2381 0.179 Uiso 1 1 calc R . .
H2BC H 0.8088 0.7398 0.2585 0.179 Uiso 1 1 calc R . .
C3BB C 0.8620(7) 0.7427(7) 0.1764(6) 0.138(6) Uiso 1 1 d . . .
H3BA H 0.8928 0.7724 0.1767 0.165 Uiso 1 1 calc R . .
H3BB H 0.8727 0.7167 0.1887 0.165 Uiso 1 1 calc R . .
C4BB C 0.8413(5) 0.7206(5) 0.1341(4) 0.095(4) Uiso 1 1 d . . .
H4BA H 0.8611 0.6977 0.1217 0.114 Uiso 1 1 calc R . .
H4BB H 0.8476 0.7491 0.1184 0.114 Uiso 1 1 calc R . .
C5BB C 0.7662(6) 0.6953(6) 0.0866(5) 0.126(5) Uiso 1 1 d . . .
H5BA H 0.7713 0.6691 0.0634 0.189 Uiso 1 1 calc R . .
H5BB H 0.7826 0.7299 0.0812 0.189 Uiso 1 1 calc R . .
H5BC H 0.7297 0.6900 0.0880 0.189 Uiso 1 1 calc R . .
C6BB C 0.7825(6) 0.6384(6) 0.1166(5) 0.128(5) Uiso 1 1 d . . .
H6BA H 0.7800 0.6255 0.0857 0.192 Uiso 1 1 calc R . .
H6BB H 0.7517 0.6197 0.1280 0.192 Uiso 1 1 calc R . .
H6BC H 0.8124 0.6329 0.1301 0.192 Uiso 1 1 calc R . .
C7BA C 0.3464(12) 0.2683(11) 0.0892(9) 0.082(8) Uiso 0.50(2) 1 d P A 1
H7BZ H 0.3497 0.2391 0.0679 0.124 Uiso 0.50(2) 1 calc PR A 1
H7BX H 0.3708 0.3005 0.0852 0.124 Uiso 0.50(2) 1 calc PR A 1
H7BY H 0.3117 0.2703 0.0857 0.124 Uiso 0.50(2) 1 calc PR A 1
C8BA C 0.4129(8) 0.2610(8) 0.1297(7) 0.057(5) Uiso 0.50(2) 1 d P A 1
H8BZ H 0.4155 0.2341 0.1059 0.086 Uiso 0.50(2) 1 calc PR A 1
H8BX H 0.4243 0.2540 0.1566 0.086 Uiso 0.50(2) 1 calc PR A 1
H8BY H 0.4343 0.2949 0.1261 0.086 Uiso 0.50(2) 1 calc PR A 1
C9BA C 0.3361(11) 0.2104(10) 0.1398(8) 0.073(7) Uiso 0.50(2) 1 d P A 1
H9BZ H 0.3632 0.1935 0.1392 0.088 Uiso 0.50(2) 1 calc PR A 1
H9BX H 0.3083 0.1888 0.1176 0.088 Uiso 0.50(2) 1 calc PR A 1
C10B C 0.3163(12) 0.2133(10) 0.1818(9) 0.085(8) Uiso 0.50(2) 1 d P A 1
H10Z H 0.2801 0.1918 0.1765 0.101 Uiso 0.50(2) 1 calc PR A 1
H10X H 0.3340 0.1949 0.1977 0.101 Uiso 0.50(2) 1 calc PR A 1
C11B C 0.3427(13) 0.2600(14) 0.2494(12) 0.093(12) Uiso 0.50(2) 1 d P A 1
H11Z H 0.3178 0.2512 0.2700 0.140 Uiso 0.50(2) 1 calc PR A 1
H11X H 0.3662 0.2949 0.2603 0.140 Uiso 0.50(2) 1 calc PR A 1
H11Y H 0.3619 0.2351 0.2453 0.140 Uiso 0.50(2) 1 calc PR A 1
C12B C 0.2626(8) 0.2565(10) 0.2168(9) 0.070(6) Uiso 0.50(2) 1 d P A 1
H12Z H 0.2414 0.2204 0.2134 0.105 Uiso 0.50(2) 1 calc PR A 1
H12X H 0.2499 0.2722 0.1956 0.105 Uiso 0.50(2) 1 calc PR A 1
H12Y H 0.2611 0.2757 0.2455 0.105 Uiso 0.50(2) 1 calc PR A 1
C7C C 0.3243(12) 0.2662(11) 0.0900(9) 0.085(8) Uiso 0.50(2) 1 d P A 2
H7BD H 0.3340 0.2481 0.0639 0.127 Uiso 0.50(2) 1 calc PR A 2
H7BE H 0.3314 0.3029 0.0894 0.127 Uiso 0.50(2) 1 calc PR A 2
H7BF H 0.2879 0.2508 0.0921 0.127 Uiso 0.50(2) 1 calc PR A 2
C8C C 0.3996(15) 0.2643(14) 0.1140(13) 0.123(12) Uiso 0.50(2) 1 d P A 2
H8BD H 0.4078 0.2320 0.1129 0.185 Uiso 0.50(2) 1 calc PR A 2
H8BE H 0.4267 0.2931 0.1317 0.185 Uiso 0.50(2) 1 calc PR A 2
H8BF H 0.3967 0.2705 0.0851 0.185 Uiso 0.50(2) 1 calc PR A 2
C9C C 0.3175(12) 0.2154(11) 0.1396(9) 0.086(9) Uiso 0.50(2) 1 d P A 2
H9BD H 0.3153 0.1836 0.1183 0.103 Uiso 0.50(2) 1 calc PR A 2
H9BE H 0.2836 0.2208 0.1399 0.103 Uiso 0.50(2) 1 calc PR A 2
C10C C 0.3387(11) 0.2120(9) 0.1873(8) 0.075(7) Uiso 0.50(2) 1 d P A 2
H10M H 0.3222 0.1784 0.1950 0.090 Uiso 0.50(2) 1 calc PR A 2
H10N H 0.3763 0.2209 0.1915 0.090 Uiso 0.50(2) 1 calc PR A 2
C11C C 0.3357(10) 0.2696(11) 0.2559(9) 0.063(7) Uiso 0.50(2) 1 d P A 2
H11M H 0.3225 0.2384 0.2675 0.094 Uiso 0.50(2) 1 calc PR A 2
H11P H 0.3238 0.2974 0.2715 0.094 Uiso 0.50(2) 1 calc PR A 2
H11Q H 0.3730 0.2805 0.2591 0.094 Uiso 0.50(2) 1 calc PR A 2
C12C C 0.2631(9) 0.2415(11) 0.1978(10) 0.082(7) Uiso 0.50(2) 1 d P A 2
H12B H 0.2461 0.2131 0.2115 0.123 Uiso 0.50(2) 1 calc PR A 2
H12C H 0.2570 0.2295 0.1667 0.123 Uiso 0.50(2) 1 calc PR A 2
H12D H 0.2495 0.2705 0.2065 0.123 Uiso 0.50(2) 1 calc PR A 2
C13B C 0.4835(4) 0.6160(4) 0.6007(3) 0.064(2) Uiso 1 1 d . . .
H13A H 0.4717 0.5914 0.6192 0.096 Uiso 1 1 calc R . .
H13B H 0.4553 0.6127 0.5797 0.096 Uiso 1 1 calc R . .
H13C H 0.4951 0.6513 0.6180 0.096 Uiso 1 1 calc R . .
C14B C 0.5071(4) 0.5486(4) 0.5561(4) 0.082(3) Uiso 1 1 d . . .
H14B H 0.4948 0.5274 0.5770 0.123 Uiso 1 1 calc R . .
H14C H 0.5349 0.5384 0.5425 0.123 Uiso 1 1 calc R . .
H14D H 0.4792 0.5435 0.5343 0.123 Uiso 1 1 calc R . .
C15B C 0.5702(4) 0.6112(4) 0.6091(3) 0.073(3) Uiso 1 1 d . . .
H15B H 0.5932 0.5928 0.5954 0.087 Uiso 1 1 calc R . .
H15C H 0.5578 0.5959 0.6337 0.087 Uiso 1 1 calc R . .
C16B C 0.5987(4) 0.6674(4) 0.6242(4) 0.080(3) Uiso 1 1 d . . .
H16A H 0.6298 0.6717 0.6428 0.096 Uiso 1 1 calc R . .
H16B H 0.5772 0.6853 0.6409 0.096 Uiso 1 1 calc R . .
C17B C 0.6596(4) 0.6828(4) 0.5702(3) 0.070(3) Uiso 1 1 d . . .
H17A H 0.6880 0.7001 0.5925 0.105 Uiso 1 1 calc R . .
H17B H 0.6668 0.6974 0.5447 0.105 Uiso 1 1 calc R . .
H17C H 0.6555 0.6457 0.5631 0.105 Uiso 1 1 calc R . .
C18B C 0.6232(5) 0.7470(5) 0.5976(4) 0.087(3) Uiso 1 1 d . . .
H18A H 0.6519 0.7618 0.6199 0.130 Uiso 1 1 calc R . .
H18B H 0.5928 0.7543 0.6085 0.130 Uiso 1 1 calc R . .
H18C H 0.6316 0.7623 0.5727 0.130 Uiso 1 1 calc R . .
C19B C 0.2788(10) 0.6082(9) -0.0766(7) 0.070(6) Uiso 0.50(2) 1 d P A 1
H19B H 0.2784 0.5955 -0.1073 0.105 Uiso 0.50(2) 1 calc PR A 1
H19C H 0.2444 0.6079 -0.0698 0.105 Uiso 0.50(2) 1 calc PR A 1
H19D H 0.2903 0.5858 -0.0609 0.105 Uiso 0.50(2) 1 calc PR A 1
C20B C 0.3638(9) 0.6680(11) -0.0774(8) 0.065(6) Uiso 0.50(2) 1 d P A 1
H20B H 0.3616 0.6397 -0.1018 0.097 Uiso 0.50(2) 1 calc PR A 1
H21C H 0.3868 0.6664 -0.0541 0.097 Uiso 0.50(2) 1 calc PR A 1
H22D H 0.3770 0.7012 -0.0860 0.097 Uiso 0.50(2) 1 calc PR A 1
C21B C 0.2966(9) 0.7042(9) -0.0829(6) 0.060(6) Uiso 0.50(2) 1 d P A 1
H21A H 0.3232 0.7385 -0.0762 0.072 Uiso 0.50(2) 1 calc PR A 1
H21B H 0.2890 0.6930 -0.1142 0.072 Uiso 0.50(2) 1 calc PR A 1
C22B C 0.2493(8) 0.7068(9) -0.0620(6) 0.052(5) Uiso 0.50(2) 1 d P A 1
H22B H 0.2238 0.6720 -0.0674 0.063 Uiso 0.50(2) 1 calc PR A 1
H22C H 0.2341 0.7303 -0.0737 0.063 Uiso 0.50(2) 1 calc PR A 1
C23C C 0.2934(9) 0.7829(9) -0.0070(9) 0.070(7) Uiso 0.50(2) 1 d P A 1
H23B H 0.2705 0.8037 0.0009 0.105 Uiso 0.50(2) 1 calc PR A 1
H23C H 0.3079 0.7903 -0.0334 0.105 Uiso 0.50(2) 1 calc PR A 1
H23D H 0.3210 0.7917 0.0159 0.105 Uiso 0.50(2) 1 calc PR A 1
C24B C 0.2162(9) 0.7179(11) 0.0069(9) 0.067(7) Uiso 0.50(2) 1 d P A 1
H24B H 0.1898 0.7231 -0.0114 0.101 Uiso 0.50(2) 1 calc PR A 1
H24C H 0.2217 0.7422 0.0345 0.101 Uiso 0.50(2) 1 calc PR A 1
H24D H 0.2052 0.6823 0.0114 0.101 Uiso 0.50(2) 1 calc PR A 1
C19C C 0.3027(13) 0.6098(11) -0.0777(9) 0.096(9) Uiso 0.50(2) 1 d P A 2
H19Z H 0.2803 0.5989 -0.1044 0.145 Uiso 0.50(2) 1 calc PR A 2
H19X H 0.2852 0.5925 -0.0560 0.145 Uiso 0.50(2) 1 calc PR A 2
H19Y H 0.3340 0.6006 -0.0824 0.145 Uiso 0.50(2) 1 calc PR A 2
C20C C 0.3676(13) 0.6889(15) -0.0723(12) 0.112(12) Uiso 0.50(2) 1 d P A 2
H20Z H 0.3708 0.6797 -0.1029 0.168 Uiso 0.50(2) 1 calc PR A 2
H20X H 0.3916 0.6775 -0.0563 0.168 Uiso 0.50(2) 1 calc PR A 2
H20Y H 0.3752 0.7265 -0.0635 0.168 Uiso 0.50(2) 1 calc PR A 2
C21C C 0.2745(11) 0.6807(11) -0.0844(8) 0.079(7) Uiso 0.50(2) 1 d P A 2
H21Z H 0.2826 0.6840 -0.1137 0.095 Uiso 0.50(2) 1 calc PR A 2
H21X H 0.2410 0.6538 -0.0865 0.095 Uiso 0.50(2) 1 calc PR A 2
C22C C 0.2704(12) 0.7305(12) -0.0608(8) 0.088(8) Uiso 0.50(2) 1 d P A 2
H22Z H 0.2404 0.7375 -0.0733 0.106 Uiso 0.50(2) 1 calc PR A 2
H22X H 0.3013 0.7590 -0.0628 0.106 Uiso 0.50(2) 1 calc PR A 2
C23B C 0.2845(9) 0.7816(9) 0.0085(9) 0.068(6) Uiso 0.50(2) 1 d P A 2
H23Z H 0.2618 0.8005 0.0009 0.102 Uiso 0.50(2) 1 calc PR A 2
H23X H 0.3186 0.7968 0.0002 0.102 Uiso 0.50(2) 1 calc PR A 2
H23Y H 0.2866 0.7837 0.0394 0.102 Uiso 0.50(2) 1 calc PR A 2
C24C C 0.2147(12) 0.7012(13) -0.0042(10) 0.090(9) Uiso 0.50(2) 1 d P A 2
H24Z H 0.1913 0.7202 -0.0103 0.135 Uiso 0.50(2) 1 calc PR A 2
H24X H 0.2157 0.6995 0.0260 0.135 Uiso 0.50(2) 1 calc PR A 2
H24Y H 0.2030 0.6660 -0.0218 0.135 Uiso 0.50(2) 1 calc PR A 2
C25B C 0.5601(6) 1.0863(5) 0.4394(4) 0.054(4) Uiso 0.70(2) 1 d P B 1
H25B H 0.5862 1.1172 0.4556 0.081 Uiso 0.70(2) 1 calc PR B 1
H25C H 0.5668 1.0552 0.4452 0.081 Uiso 0.70(2) 1 calc PR B 1
H25D H 0.5264 1.0868 0.4479 0.081 Uiso 0.70(2) 1 calc PR B 1
C26B C 0.6158(5) 1.0891(6) 0.3848(5) 0.065(4) Uiso 0.70(2) 1 d P B 1
H26A H 0.6392 1.1205 0.4029 0.098 Uiso 0.70(2) 1 calc PR B 1
H26B H 0.6199 1.0902 0.3547 0.098 Uiso 0.70(2) 1 calc PR B 1
H26C H 0.6235 1.0587 0.3911 0.098 Uiso 0.70(2) 1 calc PR B 1
C27B C 0.5508(7) 1.1323(6) 0.3849(6) 0.069(4) Uiso 0.70(2) 1 d P B 1
H27B H 0.5630 1.1395 0.3574 0.083 Uiso 0.70(2) 1 calc PR B 1
H27C H 0.5680 1.1628 0.4078 0.083 Uiso 0.70(2) 1 calc PR B 1
C28B C 0.4925(6) 1.1203(6) 0.3832(6) 0.069(4) Uiso 0.70(2) 1 d P B 1
H28B H 0.4812 1.1152 0.4114 0.083 Uiso 0.70(2) 1 calc PR B 1
H28C H 0.4827 1.1498 0.3764 0.083 Uiso 0.70(2) 1 calc PR B 1
C29B C 0.4694(7) 1.0816(7) 0.3071(5) 0.071(4) Uiso 0.70(2) 1 d P B 1
H29B H 0.4366 1.0840 0.2966 0.107 Uiso 0.70(2) 1 calc PR B 1
H29C H 0.4775 1.0533 0.2882 0.107 Uiso 0.70(2) 1 calc PR B 1
H29D H 0.4961 1.1143 0.3077 0.107 Uiso 0.70(2) 1 calc PR B 1
C30B C 0.4159(7) 1.0581(7) 0.3658(6) 0.069(5) Uiso 0.70(2) 1 d P B 1
H30B H 0.3959 1.0785 0.3560 0.103 Uiso 0.70(2) 1 calc PR B 1
H30C H 0.4202 1.0658 0.3971 0.103 Uiso 0.70(2) 1 calc PR B 1
H30D H 0.3982 1.0211 0.3552 0.103 Uiso 0.70(2) 1 calc PR B 1
C25C C 0.5806(17) 1.0779(15) 0.4337(12) 0.074(11) Uiso 0.30(2) 1 d P B 2
H25Z H 0.5876 1.1098 0.4555 0.111 Uiso 0.30(2) 1 calc PR B 2
H25X H 0.6121 1.0687 0.4299 0.111 Uiso 0.30(2) 1 calc PR B 2
H25Y H 0.5552 1.0498 0.4428 0.111 Uiso 0.30(2) 1 calc PR B 2
C26C C 0.6050(12) 1.1022(13) 0.3675(11) 0.059(9) Uiso 0.30(2) 1 d P B 2
H26Z H 0.6365 1.1188 0.3866 0.088 Uiso 0.30(2) 1 calc PR B 2
H26X H 0.5989 1.1267 0.3511 0.088 Uiso 0.30(2) 1 calc PR B 2
H26Y H 0.6083 1.0717 0.3479 0.088 Uiso 0.30(2) 1 calc PR B 2
C27C C 0.5308(18) 1.1286(15) 0.3984(14) 0.074(11) Uiso 0.30(2) 1 d P B 2
H27Z H 0.5087 1.1239 0.4219 0.089 Uiso 0.30(2) 1 calc PR B 2
H27X H 0.5558 1.1636 0.4064 0.089 Uiso 0.30(2) 1 calc PR B 2
C28C C 0.4961(17) 1.1247(17) 0.3556(17) 0.093(14) Uiso 0.30(2) 1 d P B 2
H28Z H 0.4747 1.1480 0.3602 0.111 Uiso 0.30(2) 1 calc PR B 2
H28X H 0.5168 1.1317 0.3316 0.111 Uiso 0.30(2) 1 calc PR B 2
C29C C 0.4505(13) 1.0572(15) 0.2932(11) 0.059(9) Uiso 0.30(2) 1 d P B 2
H29Z H 0.4312 1.0796 0.2860 0.089 Uiso 0.30(2) 1 calc PR B 2
H29X H 0.4298 1.0209 0.2839 0.089 Uiso 0.30(2) 1 calc PR B 2
H29Y H 0.4818 1.0632 0.2787 0.089 Uiso 0.30(2) 1 calc PR B 2
C30C C 0.4076(13) 1.0529(14) 0.3511(13) 0.055(9) Uiso 0.30(2) 1 d P B 2
H30Z H 0.3933 1.0799 0.3457 0.083 Uiso 0.30(2) 1 calc PR B 2
H30X H 0.4000 1.0457 0.3793 0.083 Uiso 0.30(2) 1 calc PR B 2
H30Y H 0.3925 1.0212 0.3292 0.083 Uiso 0.30(2) 1 calc PR B 2
C31B C 0.0797(9) 0.7206(9) 0.3911(10) 0.075(8) Uiso 0.46(2) 1 d PD C 1
H31A H 0.0544 0.7389 0.3895 0.113 Uiso 0.46(2) 1 calc PR C 1
H31B H 0.1111 0.7391 0.3802 0.113 Uiso 0.46(2) 1 calc PR C 1
H31C H 0.0872 0.7190 0.4208 0.113 Uiso 0.46(2) 1 calc PR C 1
C32B C 0.0458(12) 0.6674(12) 0.3066(10) 0.089(9) Uiso 0.46(2) 1 d P C 1
H32B H 0.0209 0.6857 0.3034 0.133 Uiso 0.46(2) 1 calc PR C 1
H32C H 0.0320 0.6314 0.2908 0.133 Uiso 0.46(2) 1 calc PR C 1
H32D H 0.0774 0.6844 0.2952 0.133 Uiso 0.46(2) 1 calc PR C 1
C33B C 0.0146(7) 0.6365(8) 0.3834(7) 0.070(7) Uiso 0.46(2) 1 d PD C 1
H33B H -0.0060 0.6081 0.3601 0.084 Uiso 0.46(2) 1 calc PR C 1
H33C H -0.0068 0.6586 0.3936 0.084 Uiso 0.46(2) 1 calc PR C 1
C34B C 0.0276(13) 0.6130(11) 0.4199(9) 0.102(10) Uiso 0.46(2) 1 d PD C 1
H34A H 0.0408 0.6402 0.4461 0.123 Uiso 0.46(2) 1 calc PR C 1
H34B H -0.0030 0.5867 0.4259 0.123 Uiso 0.46(2) 1 calc PR C 1
C35B C 0.0567(9) 0.5353(8) 0.3983(8) 0.072(7) Uiso 0.46(2) 1 d PD C 1
H35A H 0.0201 0.5173 0.3916 0.108 Uiso 0.46(2) 1 calc PR C 1
H35B H 0.0691 0.5258 0.4236 0.108 Uiso 0.46(2) 1 calc PR C 1
H35C H 0.0749 0.5251 0.3741 0.108 Uiso 0.46(2) 1 calc PR C 1
C36B C 0.0957(14) 0.6065(14) 0.4559(11) 0.095(10) Uiso 0.46(2) 1 d P C 1
H36A H 0.0764 0.5838 0.4736 0.142 Uiso 0.46(2) 1 calc PR C 1
H36B H 0.0983 0.6425 0.4684 0.142 Uiso 0.46(2) 1 calc PR C 1
H36C H 0.1300 0.6029 0.4546 0.142 Uiso 0.46(2) 1 calc PR C 1
C31C C 0.0749(9) 0.7209(9) 0.3748(9) 0.077(7) Uiso 0.54(2) 1 d P C 2
H31Z H 0.0506 0.7330 0.3921 0.116 Uiso 0.54(2) 1 calc PR C 2
H31X H 0.0763 0.7338 0.3483 0.116 Uiso 0.54(2) 1 calc PR C 2
H31Y H 0.1088 0.7339 0.3907 0.116 Uiso 0.54(2) 1 calc PR C 2
C32C C 0.0392(10) 0.6607(10) 0.3267(9) 0.083(7) Uiso 0.54(2) 1 d P C 2
H32Z H 0.0353 0.6931 0.3213 0.124 Uiso 0.54(2) 1 calc PR C 2
H32X H 0.0056 0.6344 0.3230 0.124 Uiso 0.54(2) 1 calc PR C 2
H32Y H 0.0611 0.6487 0.3065 0.124 Uiso 0.54(2) 1 calc PR C 2
C33C C 0.0338(10) 0.6567(10) 0.4073(9) 0.096(8) Uiso 0.54(2) 1 d P C 2
H33Z H 0.0594 0.6689 0.4325 0.116 Uiso 0.54(2) 1 calc PR C 2
H33X H 0.0071 0.6738 0.4125 0.116 Uiso 0.54(2) 1 calc PR C 2
C34C C 0.0139(8) 0.6058(8) 0.3993(8) 0.070(6) Uiso 0.54(2) 1 d P C 2
H34Z H -0.0026 0.5920 0.3697 0.084 Uiso 0.54(2) 1 calc PR C 2
H34X H -0.0110 0.5943 0.4196 0.084 Uiso 0.54(2) 1 calc PR C 2
C35C C 0.0301(10) 0.5304(9) 0.3711(8) 0.095(8) Uiso 0.54(2) 1 d P C 2
H35Z H 0.0142 0.5048 0.3878 0.142 Uiso 0.54(2) 1 calc PR C 2
H35X H 0.0532 0.5175 0.3527 0.142 Uiso 0.54(2) 1 calc PR C 2
H35Y H 0.0037 0.5365 0.3534 0.142 Uiso 0.54(2) 1 calc PR C 2
C36C C 0.0802(14) 0.5934(14) 0.4412(13) 0.113(11) Uiso 0.54(2) 1 d P C 2
H36Z H 0.0517 0.5902 0.4590 0.170 Uiso 0.54(2) 1 calc PR C 2
H36X H 0.1059 0.6273 0.4514 0.170 Uiso 0.54(2) 1 calc PR C 2
H36Y H 0.0955 0.5660 0.4429 0.170 Uiso 0.54(2) 1 calc PR C 2
C37B C -0.2460(5) 0.6546(5) 0.5087(4) 0.087(3) Uiso 1 1 d . . .
H37B H -0.2666 0.6590 0.4851 0.130 Uiso 1 1 calc R . .
H37C H -0.2235 0.6885 0.5239 0.130 Uiso 1 1 calc R . .
H37D H -0.2685 0.6383 0.5284 0.130 Uiso 1 1 calc R . .
C38B C -0.1863(4) 0.6423(5) 0.4590(4) 0.084(3) Uiso 1 1 d . . .
H38B H -0.2091 0.6480 0.4376 0.126 Uiso 1 1 calc R . .
H38C H -0.1700 0.6171 0.4454 0.126 Uiso 1 1 calc R . .
H38D H -0.1601 0.6751 0.4716 0.126 Uiso 1 1 calc R . .
C39B C -0.2523(6) 0.5685(6) 0.4714(5) 0.108(4) Uiso 1 1 d . . .
H39A H -0.2845 0.5635 0.4850 0.129 Uiso 1 1 calc R . .
H39B H -0.2603 0.5681 0.4410 0.129 Uiso 1 1 calc R . .
C40B C -0.2362(5) 0.5299(5) 0.4733(4) 0.097(4) Uiso 1 1 d . . .
H40B H -0.2152 0.5258 0.4493 0.116 Uiso 1 1 calc R . .
H40C H -0.2663 0.4985 0.4682 0.116 Uiso 1 1 calc R . .
C41B C -0.1702(5) 0.5007(5) 0.5044(5) 0.103(4) Uiso 1 1 d . . .
H41B H -0.1890 0.4644 0.4922 0.154 Uiso 1 1 calc R . .
H41C H -0.1507 0.5032 0.5312 0.154 Uiso 1 1 calc R . .
H41D H -0.1468 0.5147 0.4843 0.154 Uiso 1 1 calc R . .
C42B C -0.2414(6) 0.5081(6) 0.5426(5) 0.119(5) Uiso 1 1 d . . .
H42B H -0.2584 0.4713 0.5307 0.178 Uiso 1 1 calc R . .
H42C H -0.2671 0.5263 0.5472 0.178 Uiso 1 1 calc R . .
H42D H -0.2220 0.5120 0.5699 0.178 Uiso 1 1 calc R . .
C43B C 0.2459(4) 0.5011(4) 0.7136(3) 0.073(3) Uiso 1 1 d . . .
H43B H 0.2451 0.4648 0.7093 0.109 Uiso 1 1 calc R . .
H43C H 0.2111 0.5029 0.7096 0.109 Uiso 1 1 calc R . .
H43D H 0.2610 0.5193 0.7425 0.109 Uiso 1 1 calc R . .
C44B C 0.2545(4) 0.4972(4) 0.6387(3) 0.079(3) Uiso 1 1 d . . .
H44A H 0.2515 0.4604 0.6357 0.119 Uiso 1 1 calc R . .
H44B H 0.2769 0.5116 0.6182 0.119 Uiso 1 1 calc R . .
H44C H 0.2207 0.5008 0.6332 0.119 Uiso 1 1 calc R . .
C45B C 0.3297(4) 0.5234(4) 0.6891(4) 0.076(3) Uiso 1 1 d . . .
H45B H 0.3400 0.5293 0.7200 0.091 Uiso 1 1 calc R . .
H45C H 0.3310 0.4886 0.6755 0.091 Uiso 1 1 calc R . .
C46B C 0.3655(4) 0.5628(4) 0.6705(3) 0.071(3) Uiso 1 1 d . . .
H46B H 0.3590 0.5535 0.6390 0.085 Uiso 1 1 calc R . .
H46C H 0.4009 0.5638 0.6783 0.085 Uiso 1 1 calc R . .
C47B C 0.3844(5) 0.6500(5) 0.6598(4) 0.087(3) Uiso 1 1 d . . .
H47B H 0.4209 0.6537 0.6615 0.131 Uiso 1 1 calc R . .
H47C H 0.3797 0.6840 0.6698 0.131 Uiso 1 1 calc R . .
H47D H 0.3694 0.6361 0.6302 0.131 Uiso 1 1 calc R . .
C48B C 0.3842(4) 0.6356(5) 0.7317(4) 0.083(3) Uiso 1 1 d . . .
H48B H 0.4210 0.6418 0.7318 0.124 Uiso 1 1 calc R . .
H48C H 0.3702 0.6103 0.7493 0.124 Uiso 1 1 calc R . .
H48D H 0.3774 0.6682 0.7434 0.124 Uiso 1 1 calc R . .
C49B C -0.0451(7) 0.6818(8) 1.0314(6) 0.151(7) Uiso 1 1 d . . .
H49A H -0.0562 0.6903 1.0597 0.227 Uiso 1 1 calc R . .
H49B H -0.0199 0.7125 1.0256 0.227 Uiso 1 1 calc R . .
H49C H -0.0297 0.6539 1.0303 0.227 Uiso 1 1 calc R . .
C50B C -0.1122(7) 0.7084(7) 1.0086(6) 0.140(6) Uiso 1 1 d . . .
H50B H -0.1207 0.7129 1.0382 0.210 Uiso 1 1 calc R . .
H50C H -0.1432 0.7001 0.9893 0.210 Uiso 1 1 calc R . .
H50D H -0.0877 0.7406 1.0045 0.210 Uiso 1 1 calc R . .
C51B C -0.1242(7) 0.6180(7) 1.0077(6) 0.138(6) Uiso 1 1 d . . .
H51B H -0.1236 0.6202 1.0389 0.165 Uiso 1 1 calc R . .
H51C H -0.1593 0.6145 0.9966 0.165 Uiso 1 1 calc R . .
C52B C -0.1108(7) 0.5742(7) 0.9883(5) 0.129(5) Uiso 1 1 d . . .
H52A H -0.1382 0.5428 0.9912 0.155 Uiso 1 1 calc R . .
H52B H -0.0794 0.5743 1.0043 0.155 Uiso 1 1 calc R . .
C53B C -0.1495(7) 0.5496(7) 0.9158(6) 0.133(5) Uiso 1 1 d . . .
H53A H -0.1653 0.5134 0.9174 0.199 Uiso 1 1 calc R . .
H53B H -0.1438 0.5517 0.8861 0.199 Uiso 1 1 calc R . .
H53C H -0.1720 0.5699 0.9261 0.199 Uiso 1 1 calc R . .
C54B C -0.0700(6) 0.5363(6) 0.9300(5) 0.107(4) Uiso 1 1 d . . .
H54A H -0.0887 0.5008 0.9318 0.161 Uiso 1 1 calc R . .
H54B H -0.0387 0.5488 0.9496 0.161 Uiso 1 1 calc R . .
H54C H -0.0611 0.5369 0.9007 0.161 Uiso 1 1 calc R . .
C55B C 0.3012(8) 1.1161(8) 1.0083(7) 0.160(7) Uiso 1 1 d . . .
H55B H 0.3062 1.1349 1.0380 0.241 Uiso 1 1 calc R . .
H55C H 0.2668 1.0912 1.0023 0.241 Uiso 1 1 calc R . .
H55D H 0.3053 1.1407 0.9894 0.241 Uiso 1 1 calc R . .
C56B C 0.3360(6) 1.0589(6) 1.0314(5) 0.117(5) Uiso 1 1 d . . .
H56B H 0.3390 1.0806 1.0599 0.175 Uiso 1 1 calc R . .
H56C H 0.3639 1.0437 1.0293 0.175 Uiso 1 1 calc R . .
H56D H 0.3033 1.0312 1.0265 0.175 Uiso 1 1 calc R . .
C57B C 0.3890(6) 1.1280(7) 1.0043(6) 0.132(5) Uiso 1 1 d . . .
H57A H 0.3859 1.1555 0.9896 0.158 Uiso 1 1 calc R . .
H57B H 0.4004 1.1441 1.0347 0.158 Uiso 1 1 calc R . .
C58B C 0.4254(6) 1.1077(6) 0.9868(5) 0.120(5) Uiso 1 1 d . . .
H58B H 0.4324 1.0841 1.0042 0.144 Uiso 1 1 calc R . .
H58C H 0.4574 1.1362 0.9878 0.144 Uiso 1 1 calc R . .
C59B C 0.4353(6) 1.0403(6) 0.9264(5) 0.120(5) Uiso 1 1 d . . .
H59B H 0.4720 1.0579 0.9279 0.180 Uiso 1 1 calc R . .
H59C H 0.4223 1.0226 0.8969 0.180 Uiso 1 1 calc R . .
H59D H 0.4291 1.0149 0.9447 0.180 Uiso 1 1 calc R . .
C60B C 0.4200(6) 1.1212(6) 0.9142(5) 0.120(5) Uiso 1 1 d . . .
H60B H 0.4569 1.1370 0.9149 0.180 Uiso 1 1 calc R . .
H60C H 0.4045 1.1478 0.9264 0.180 Uiso 1 1 calc R . .
H60D H 0.4053 1.1058 0.8847 0.180 Uiso 1 1 calc R . .
C61B C -0.1162(12) 1.1027(14) 0.7430(13) 0.33(2) Uiso 1 1 d D . .
H61B H -0.1314 1.1036 0.7152 0.489 Uiso 1 1 calc R . .
H61C H -0.0893 1.0863 0.7389 0.489 Uiso 1 1 calc R . .
H61D H -0.1017 1.1382 0.7597 0.489 Uiso 1 1 calc R . .
C62B C -0.1972(10) 1.0330(11) 0.7365(10) 0.225(12) Uiso 1 1 d D . .
H62A H -0.2193 1.0497 0.7241 0.337 Uiso 1 1 calc R . .
H62B H -0.2173 1.0080 0.7521 0.337 Uiso 1 1 calc R . .
H62C H -0.1822 1.0150 0.7137 0.337 Uiso 1 1 calc R . .
C63B C -0.1891(16) 1.095(2) 0.7865(11) 0.38(3) Uiso 1 1 d D . .
H63B H -0.2235 1.0689 0.7800 0.459 Uiso 1 1 calc R . .
H63C H -0.1898 1.1243 0.7738 0.459 Uiso 1 1 calc R . .
C64B C -0.1796(11) 1.1132(13) 0.8337(10) 0.281(16) Uiso 1 1 d D . .
H64B H -0.1655 1.1514 0.8401 0.337 Uiso 1 1 calc R . .
H64C H -0.2127 1.1042 0.8460 0.337 Uiso 1 1 calc R . .
C65B C -0.1038(8) 1.1293(9) 0.8848(7) 0.202(10) Uiso 1 1 d D . .
H65B H -0.1154 1.1347 0.9134 0.303 Uiso 1 1 calc R . .
H65C H -0.0929 1.1624 0.8757 0.303 Uiso 1 1 calc R . .
H65D H -0.0750 1.1154 0.8856 0.303 Uiso 1 1 calc R . .
C66B C -0.1751(8) 1.0587(8) 0.8794(7) 0.170(8) Uiso 1 1 d D . .
H66B H -0.1681 1.0754 0.9098 0.254 Uiso 1 1 calc R . .
H66C H -0.1661 1.0265 0.8748 0.254 Uiso 1 1 calc R . .
H66D H -0.2114 1.0509 0.8706 0.254 Uiso 1 1 calc R . .
C67B C 0.3271(7) 1.0586(7) 0.5334(6) 0.144(6) Uiso 1 1 d . . .
H67A H 0.3579 1.0666 0.5185 0.217 Uiso 1 1 calc R . .
H67B H 0.3347 1.0490 0.5602 0.217 Uiso 1 1 calc R . .
H67C H 0.3152 1.0891 0.5395 0.217 Uiso 1 1 calc R . .
C68B C 0.3116(9) 0.9677(10) 0.4957(8) 0.199(10) Uiso 1 1 d . . .
H68B H 0.3435 0.9789 0.4826 0.298 Uiso 1 1 calc R . .
H68C H 0.2872 0.9385 0.4759 0.298 Uiso 1 1 calc R . .
H68D H 0.3185 0.9568 0.5221 0.298 Uiso 1 1 calc R . .
C69B C 0.2747(9) 1.0295(9) 0.4646(7) 0.170(8) Uiso 1 1 d . . .
H69B H 0.3047 1.0560 0.4582 0.204 Uiso 1 1 calc R . .
H69C H 0.2676 0.9982 0.4415 0.204 Uiso 1 1 calc R . .
C70B C 0.2367(7) 1.0463(7) 0.4648(6) 0.135(6) Uiso 1 1 d . . .
H70A H 0.2242 1.0427 0.4348 0.162 Uiso 1 1 calc R . .
H70B H 0.2492 1.0839 0.4776 0.162 Uiso 1 1 calc R . .
C71B C 0.1637(8) 0.9803(8) 0.4546(7) 0.170(8) Uiso 1 1 d . . .
H71A H 0.1487 0.9928 0.4322 0.254 Uiso 1 1 calc R . .
H71B H 0.1364 0.9571 0.4668 0.254 Uiso 1 1 calc R . .
H71C H 0.1865 0.9613 0.4423 0.254 Uiso 1 1 calc R . .
C72B C 0.1671(8) 1.0572(8) 0.5029(7) 0.157(8) Uiso 1 1 d . . .
H72A H 0.1531 1.0687 0.4794 0.235 Uiso 1 1 calc R . .
H72B H 0.1911 1.0872 0.5222 0.235 Uiso 1 1 calc R . .
H72C H 0.1393 1.0406 0.5186 0.235 Uiso 1 1 calc R . .
N1A N 0.7195(2) 0.7394(3) 0.2294(2) 0.0484(16) Uani 1 1 d . . .
N2A N 0.5482(2) 0.9732(2) 0.36634(19) 0.0411(14) Uani 1 1 d . . .
N3A N 0.5816(3) 0.7010(3) 0.4981(2) 0.0532(17) Uani 1 1 d . . .
N4A N 0.6317(3) 0.8341(3) 0.3348(2) 0.0478(15) Uani 1 1 d . . .
N5A N 0.5988(3) 0.8246(3) 0.4004(2) 0.0536(17) Uani 1 1 d . . .
N6A N 0.6420(3) 0.7668(3) 0.3673(2) 0.0520(17) Uani 1 1 d . . .
N7A N 0.6824(3) 0.6684(3) 0.1511(2) 0.0506(16) Uani 1 1 d . . .
N8A N 0.3889(3) 0.3764(3) 0.1516(2) 0.0514(16) Uani 1 1 d . . .
N9A N 0.3591(2) 0.6454(3) 0.0160(2) 0.0480(16) Uani 1 1 d . . .
N10A N 0.5108(3) 0.5355(3) 0.1181(2) 0.0533(17) Uani 1 1 d . . .
N11A N 0.4308(2) 0.5294(3) 0.0841(2) 0.0507(16) Uani 1 1 d . . .
N12A N 0.5032(3) 0.6016(3) 0.0830(2) 0.0546(17) Uani 1 1 d . . .
N13A N -0.1260(2) 0.5941(3) 0.5833(2) 0.0461(15) Uani 1 1 d . . .
N14A N 0.2059(2) 0.5901(3) 0.6916(2) 0.0527(17) Uani 1 1 d . . .
N15A N 0.1640(3) 0.5919(3) 0.3712(3) 0.0578(19) Uani 1 1 d . . .
N16A N 0.0223(2) 0.5862(3) 0.6745(2) 0.0484(16) Uani 1 1 d . . .
N17A N 0.0422(2) 0.5958(3) 0.7491(2) 0.0554(18) Uani 1 1 d . . .
N18A N -0.0386(3) 0.5980(3) 0.7226(2) 0.0523(17) Uani 1 1 d . . .
N19A N 0.3110(3) 0.7092(3) 0.0660(2) 0.0550(17) Uani 1 1 d . . .
N20A N 0.4530(3) 0.9570(3) 0.3250(2) 0.0511(16) Uani 1 1 d . . .
N21A N 0.1595(3) 0.6707(3) 0.3302(3) 0.0573(18) Uani 1 1 d . . .
N22A N 0.3498(3) 0.7995(3) 0.2188(2) 0.0601(19) Uani 1 1 d . . .
N23A N 0.3108(3) 0.7910(3) 0.2830(2) 0.061(2) Uani 1 1 d . . .
N24A N 0.2749(3) 0.7296(3) 0.2194(2) 0.0577(18) Uani 1 1 d . . .
N25A N 0.2880(3) 0.6786(3) 0.6941(2) 0.0519(17) Uani 1 1 d . . .
N26A N 0.3253(3) 1.0049(3) 0.8795(3) 0.064(2) Uani 1 1 d . . .
N27A N 0.2505(3) 0.9669(3) 0.5805(2) 0.063(2) Uani 1 1 d . . .
N28A N 0.3024(3) 0.8633(3) 0.7510(3) 0.068(2) Uani 1 1 d . . .
N29A N 0.2935(3) 0.9340(3) 0.7228(2) 0.0625(19) Uani 1 1 d . . .
N30A N 0.2848(3) 0.8540(3) 0.6763(2) 0.0623(19) Uani 1 1 d . . .
N31A N -0.0377(3) 0.7212(3) 0.9356(2) 0.067(2) Uani 1 1 d . . .
N32A N 0.2547(3) 1.0151(3) 0.9366(3) 0.071(2) Uani 1 1 d . . .
N33A N -0.0791(4) 1.0225(5) 0.8517(3) 0.092(3) Uani 1 1 d . . .
N34A N 0.0775(3) 0.8965(4) 0.9279(3) 0.085(3) Uani 1 1 d . . .
N35A N 0.0655(3) 0.9741(3) 0.9126(3) 0.072(2) Uani 1 1 d . . .
N36A N -0.0065(3) 0.9021(4) 0.9106(3) 0.073(2) Uani 1 1 d . . .
N37A N 0.3483(2) 0.3736(2) 0.2299(2) 0.0463(15) Uani 1 1 d . . .
N38A N 0.4947(3) 0.6185(3) 0.4935(2) 0.0563(18) Uani 1 1 d . . .
N39A N -0.0481(3) 0.6278(3) 0.8794(2) 0.061(2) Uani 1 1 d . . .
N40A N 0.3784(3) 0.5111(3) 0.3636(3) 0.065(2) Uani 1 1 d . . .
N41A N 0.3301(4) 0.5602(3) 0.3998(3) 0.073(2) Uani 1 1 d . . .
N42A N 0.2932(3) 0.5000(3) 0.3354(2) 0.065(2) Uani 1 1 d . . .
N43A N -0.1355(3) 0.6840(3) 0.5637(2) 0.0528(17) Uani 1 1 d . . .
N44A N -0.0918(4) 1.0056(4) 0.7625(3) 0.080(3) Uani 1 1 d . . .
N45A N 0.1548(3) 0.9702(3) 0.5597(3) 0.073(2) Uani 1 1 d . . .
N46A N -0.0666(3) 0.8644(3) 0.6500(3) 0.070(2) Uani 1 1 d . . .
N47A N 0.0069(3) 0.9376(3) 0.6505(3) 0.075(2) Uani 1 1 d . . .
N48A N -0.0054(3) 0.8573(3) 0.6023(3) 0.080(3) Uani 1 1 d . . .
N1B N 0.8248(3) 0.7610(3) 0.2039(3) 0.0610(19) Uani 1 1 d . . .
N2B N 0.7877(3) 0.6910(3) 0.1251(3) 0.066(2) Uani 1 1 d . . .
N3B N 0.3172(3) 0.2583(3) 0.2105(3) 0.066(2) Uani 1 1 d . . .
N4B N 0.3564(3) 0.2608(3) 0.1304(3) 0.069(2) Uani 1 1 d . . .
N5B N 0.6132(3) 0.6907(3) 0.5854(2) 0.0606(19) Uani 1 1 d . . .
N6B N 0.5263(3) 0.6047(3) 0.5782(2) 0.0593(19) Uani 1 1 d . . .
N7B N 0.3148(3) 0.6630(3) -0.0637(2) 0.063(2) Uani 1 1 d . . .
N8B N 0.2645(3) 0.7272(3) -0.0137(2) 0.067(2) Uani 1 1 d . . .
N9B N 0.5611(3) 1.0858(3) 0.3934(3) 0.0591(19) Uani 1 1 d . . .
N10B N 0.4667(3) 1.0716(3) 0.3494(3) 0.076(3) Uani 1 1 d . . .
N11B N 0.0597(3) 0.6684(4) 0.3654(5) 0.103(4) Uani 1 1 d D . .
N12B N 0.0654(4) 0.5898(4) 0.4063(4) 0.097(4) Uani 1 1 d . . .
N13B N -0.2159(3) 0.6223(3) 0.4924(2) 0.0550(18) Uani 1 1 d . . .
N14B N -0.2063(3) 0.5307(3) 0.5125(2) 0.064(2) Uani 1 1 d . . .
N15B N 0.2764(3) 0.5255(3) 0.6828(2) 0.0546(17) Uani 1 1 d . . .
N16B N 0.3593(3) 0.6149(3) 0.6867(2) 0.063(2) Uani 1 1 d . . .
N17B N 0.4092(4) 1.0783(4) 0.9409(3) 0.090(3) Uani 1 1 d . . .
N18B N 0.3383(4) 1.0888(4) 1.0011(4) 0.102(3) Uani 1 1 d . . .
N19B N -0.1561(9) 1.0726(8) 0.7661(8) 0.216(10) Uani 1 1 d . . .
N20B N -0.1455(6) 1.0928(6) 0.8549(5) 0.154(6) Uani 1 1 d D . .
N21B N -0.0890(4) 0.6651(5) 0.9992(3) 0.102(3) Uani 1 1 d . . .
N22B N -0.1020(4) 0.5698(4) 0.9415(3) 0.094(3) Uani 1 1 d . . .
N23B N 0.2876(5) 1.0159(5) 0.5067(3) 0.131(6) Uani 1 1 d . . .
N24B N 0.1917(5) 1.0231(5) 0.4871(4) 0.122(5) Uani 1 1 d . . .
N1N N 0.4737(6) 0.3073(7) 0.2513(6) 0.140(5) Uiso 1 1 d . . .
O1N O 0.4698(4) 0.3270(4) 0.2245(4) 0.128(3) Uiso 1 1 d . . .
O2N O 0.4738(4) 0.3270(4) 0.2918(4) 0.123(3) Uiso 1 1 d . . .
O3N O 0.4885(8) 0.2688(9) 0.2397(7) 0.244(8) Uiso 1 1 d . . .
N2N N 0.5489(6) -0.0006(6) 0.5316(5) 0.128(4) Uiso 1 1 d . . .
O4N O 0.5357(8) -0.0440(8) 0.4962(7) 0.232(7) Uiso 1 1 d . . .
O5N O 0.5645(5) -0.0032(5) 0.5575(5) 0.159(5) Uiso 1 1 d . . .
O6N O 0.5339(7) 0.0372(8) 0.5228(6) 0.225(7) Uiso 1 1 d . . .
N4N N 0.4732(14) 0.7426(13) 0.6128(12) 0.112(10) Uiso 0.364(9) 1 d P D 1
O10N O 0.4302(17) 0.7446(16) 0.6092(13) 0.179(15) Uiso 0.364(9) 1 d P D 1
O11N O 0.5006(10) 0.7411(9) 0.5803(8) 0.073(7) Uiso 0.364(9) 1 d P D 1
O12N O 0.4799(19) 0.7738(19) 0.6533(17) 0.206(18) Uiso 0.364(9) 1 d P D 1
O72Z O 0.1255(14) 0.1216(15) 0.8869(13) 0.161(13) Uiso 0.364(9) 1 d P D 1
O67Z O -0.0148(12) 0.1924(12) 0.9608(10) 0.131(10) Uiso 0.364(9) 1 d P D 1
O62A O 0.5760(16) 0.1293(16) 0.5637(13) 0.178(15) Uiso 0.364(9) 1 d P D 1
O61A O 0.6907(13) 0.8829(15) 0.6298(11) 0.144(11) Uiso 0.364(9) 1 d P D 1
O60Z O 0.8224(18) 0.666(2) 0.7282(16) 0.209(18) Uiso 0.364(9) 1 d P D 1
O55Z O 0.7962(18) 0.6737(17) 0.8753(14) 0.183(15) Uiso 0.364(9) 1 d P D 1
O52Z O 0.1526(15) 0.0833(14) 0.3928(11) 0.150(12) Uiso 0.364(9) 1 d P D 1
O68 O -0.0870(13) 0.0167(14) 0.9794(11) 0.150(12) Uiso 0.364(9) 1 d P D 1
O100 O 0.1141(16) 1.0596(18) 0.7209(14) 0.182(16) Uiso 0.364(9) 1 d P D 1
O101 O 0.0542(14) 1.0974(14) 0.6891(12) 0.154(12) Uiso 0.364(9) 1 d P D 1
N5N N 0.9595(12) 0.4847(12) 0.4675(11) 0.132(9) Uiso 0.534(11) 1 d P E 1
O13N O 0.9910(9) 0.4586(8) 0.4789(7) 0.137(7) Uiso 0.534(11) 1 d P . 1
O14N O 0.9667(10) 0.5286(11) 0.4874(9) 0.159(9) Uiso 0.534(11) 1 d P . 1
O15N O 0.9356(10) 0.4692(9) 0.4407(7) 0.116(6) Uiso 0.534(11) 1 d P E 1
O5Z O 0.9153(9) 0.3752(10) 0.4352(8) 0.158(9) Uiso 0.534(11) 1 d P E 1
O66A O 0.861(2) 0.778(2) 0.4795(18) 0.170(18) Uiso 0.267(5) 1 d P E 1
O64A O 0.1728(9) 0.8044(9) 0.9352(9) 0.148(8) Uiso 0.534(11) 1 d P E 1
O64B O 0.1648(10) 0.8371(11) 1.0053(10) 0.174(10) Uiso 0.534(11) 1 d P E 1
O50A O 0.5231(9) 0.2021(10) 0.4776(9) 0.157(9) Uiso 0.534(11) 1 d P E 1
O50B O 0.5225(12) 0.1641(13) 0.5269(10) 0.195(12) Uiso 0.534(11) 1 d P E 1
O12Z O 0.3208(19) 0.647(2) 0.5054(17) 0.143(16) Uiso 0.267(5) 1 d P E 1
O12W O 0.3495(11) 0.5708(13) 0.5607(10) 0.086(8) Uiso 0.267(5) 1 d P E 1
O32M O 0.2625(5) 0.5910(5) 0.5876(4) 0.072(4) Uiso 0.534(11) 1 d P E 1
N6N N 0.6203(6) 0.5415(7) 0.5095(6) 0.072(4) Uiso 0.549(9) 1 d P F 1
O16N O 0.6216(11) 0.4969(12) 0.4864(11) 0.144(10) Uiso 0.549(9) 1 d P F 1
O17N O 0.6412(6) 0.5407(6) 0.5446(5) 0.096(5) Uiso 0.549(9) 1 d P F 1
O18N O 0.6148(7) 0.5789(7) 0.4974(6) 0.083(5) Uiso 0.549(9) 1 d P F 1
O7A O 0.6139(8) 0.5258(8) 0.4008(7) 0.144(7) Uiso 0.549(9) 1 d P F 1
O7B O 0.7513(9) 0.6232(10) 0.6081(7) 0.121(8) Uiso 0.549(9) 1 d P F 1
O7C O 0.7196(7) 0.6664(8) 0.6668(6) 0.115(6) Uiso 0.549(9) 1 d P F 1
O7D O 0.6841(11) 0.6035(11) 0.6291(9) 0.144(9) Uiso 0.549(9) 1 d P F 1
N12N N 0.707(2) 0.621(3) 0.360(2) 0.16(2) Uiso 0.274(4) 1 d P F 1
O34N O 0.6770(11) 0.6230(11) 0.4085(9) 0.081(7) Uiso 0.274(4) 1 d P F 1
O35N O 0.7245(13) 0.6785(14) 0.3842(10) 0.100(9) Uiso 0.274(4) 1 d P F 1
O36N O 0.657(2) 0.617(2) 0.3456(17) 0.175(18) Uiso 0.274(4) 1 d P F 1
O7F O 0.666(2) 0.047(2) 0.763(2) 0.18(2) Uiso 0.274(4) 1 d P F 1
O7G O 0.7247(16) 0.5365(17) 0.9476(15) 0.128(12) Uiso 0.274(4) 1 d P F 1
O7H O 0.2425(18) 0.4714(18) 0.9719(15) 0.146(15) Uiso 0.274(4) 1 d P F 1
O7I O 0.110(3) 0.408(3) 0.894(2) 0.21(2) Uiso 0.274(4) 1 d P F 1
O7J O 0.7631(7) 0.1964(8) 0.8953(6) 0.126(6) Uiso 0.549(9) 1 d P F 1
O7K O 0.7263(18) 0.141(2) 0.7782(17) 0.146(15) Uiso 0.274(4) 1 d P F 1
O7L O 0.2912(6) 0.6079(8) 0.8040(5) 0.096(5) Uiso 0.549(9) 1 d P F 1
O1A O 0.6651(10) 0.5839(11) 0.2610(9) 0.171(9) Uiso 0.549(9) 1 d P F 1
O1B O 0.5898(14) 0.4992(15) 0.2136(12) 0.118(11) Uiso 0.274(4) 1 d P F 1
O1C O 0.5235(12) 0.4427(13) 0.2674(11) 0.209(12) Uiso 0.549(9) 1 d P F 1
O1D O 0.5117(8) 0.4870(9) 0.3421(7) 0.129(7) Uiso 0.549(9) 1 d P F 1
N3N N 0.4263(10) 0.8572(11) 0.7547(10) 0.126(9) Uiso 0.508(14) 1 d P G 1
O7N O 0.4127(8) 0.8609(8) 0.7221(8) 0.127(8) Uiso 0.508(14) 1 d P G 1
O8N O 0.4375(11) 0.9046(12) 0.7854(10) 0.184(11) Uiso 0.508(14) 1 d P G 1
O9N O 0.4567(19) 0.8182(19) 0.7769(16) 0.29(2) Uiso 0.508(14) 1 d P G 1
N8N N 0.4365(12) 0.0289(15) 0.7780(12) 0.149(12) Uiso 0.508(14) 1 d P G 1
O22N O 0.4310(8) -0.0149(11) 0.7473(8) 0.130(8) Uiso 0.508(14) 1 d P G 1
O23N O 0.4338(14) 0.0662(17) 0.7775(13) 0.219(16) Uiso 0.508(14) 1 d P G 1
O24N O 0.4422(12) 0.0180(13) 0.8216(11) 0.195(13) Uiso 0.508(14) 1 d P G 1
O9Z O 0.7640(11) 0.8321(12) 0.3792(10) 0.086(8) Uiso 0.282(7) 1 d P H 1
O9Y O 0.7350(14) 0.8328(14) 0.4424(12) 0.122(12) Uiso 0.282(7) 1 d P H 1
O9X O 0.7922(15) 0.8911(16) 0.3070(14) 0.133(13) Uiso 0.282(7) 1 d P H 1
O68Z O 0.1963(13) 0.5624(14) 0.8304(11) 0.228(14) Uiso 0.565(14) 1 d P H 1
O55 O 0.1492(11) 0.6491(11) 0.8542(9) 0.193(11) Uiso 0.565(14) 1 d P H 1
N10N N 0.7807(18) 0.7958(17) 0.6846(15) 0.132(14) Uiso 0.347(12) 1 d P I 1
O28N O 0.7583(11) 0.7601(12) 0.6539(9) 0.102(9) Uiso 0.347(12) 1 d P I 1
O29N O 0.7748(18) 0.8487(18) 0.7193(15) 0.183(16) Uiso 0.347(12) 1 d P I 1
O30N O 0.8166(19) 0.7934(19) 0.7114(16) 0.199(18) Uiso 0.347(12) 1 d P I 1
O18Z O -0.2261(12) 0.9279(13) 0.8118(10) 0.267(16) Uiso 0.69(2) 1 d P I 1
O70Z O 0.073(2) 0.330(3) 0.848(2) 0.23(2) Uiso 0.347(12) 1 d P I 1
O11X O 0.4887(12) 0.5622(12) 0.9668(10) 0.132(11) Uiso 0.359(14) 1 d P J 1
O11Z O 0.5711(16) 0.5503(17) 1.0097(14) 0.086(13) Uiso 0.179(7) 1 d P J 1
O11Y O 0.0582(11) 0.5300(11) 0.2641(10) 0.103(9) Uiso 0.359(14) 1 d P J 1
O69Z O 0.7951(14) 0.4233(14) 0.8285(12) 0.152(13) Uiso 0.359(14) 1 d P J 1
O65Z O 0.8555(16) 0.4834(15) 0.7682(14) 0.162(14) Uiso 0.359(14) 1 d P J 1
O56Z O 0.9319(13) 0.9162(13) 0.5644(10) 0.129(11) Uiso 0.359(14) 1 d P J 1
O80 O 0.997(2) 1.010(2) 0.5639(17) 0.114(17) Uiso 0.179(7) 1 d P J 1
O79 O 0.097(3) 0.461(3) 0.754(2) 0.29(3) Uiso 0.359(14) 1 d P J 1
O51Z O 0.4344(16) 0.2597(16) 0.9614(14) 0.107(17) Uiso 0.22(2) 1 d P K 1
O71A O 0.4466(11) 0.1321(13) 0.4759(9) 0.060(10) Uiso 0.22(2) 1 d P K 1
O4A O 0.4804(7) 0.7309(7) 0.5750(6) 0.100(6) Uiso 0.636(9) 1 d P D 2
O4B O 0.5103(5) 0.7546(5) 0.6646(4) 0.098(4) Uiso 0.636(9) 1 d P D 2
O4C O 0.3678(12) 0.7427(12) 0.5918(10) 0.112(9) Uiso 0.318(4) 1 d P D 2
O4D O 0.1299(12) 0.0903(13) 0.8555(11) 0.117(10) Uiso 0.318(4) 1 d P D 2
O67A O 0.0138(15) 0.1602(15) 0.9579(13) 0.283(16) Uiso 0.636(9) 1 d P D 2
O62Z O 0.6175(12) 0.0995(12) 0.5560(10) 0.237(12) Uiso 0.636(9) 1 d P D 2
O61Y O 0.7083(7) 0.9289(7) 0.6361(6) 0.129(6) Uiso 0.636(9) 1 d P D 2
O61Z O 0.6948(16) 0.8627(17) 0.6887(14) 0.319(19) Uiso 0.636(9) 1 d P D 2
O60A O 0.7648(18) 0.6791(17) 0.6871(14) 0.166(15) Uiso 0.318(4) 1 d P D 2
O60B O 0.8320(8) 0.6350(8) 0.7503(7) 0.154(7) Uiso 0.636(9) 1 d P D 2
O55A O 0.7581(6) 0.6768(5) 0.8633(5) 0.101(4) Uiso 0.636(9) 1 d P D 2
O55B O 0.8189(6) 0.6559(6) 0.8970(5) 0.110(5) Uiso 0.636(9) 1 d P D 2
O55C O 0.0201(7) 0.6665(7) 0.5249(6) 0.133(6) Uiso 0.636(9) 1 d P D 2
O55D O 0.0570(10) 0.7695(10) 0.5101(9) 0.208(10) Uiso 0.636(9) 1 d P D 2
O52A O 0.2014(11) 0.0808(11) 0.3663(9) 0.213(11) Uiso 0.636(9) 1 d P D 2
O52B O 0.1048(13) 0.0498(13) 0.3874(10) 0.233(12) Uiso 0.636(9) 1 d P D 2
O66 O -0.0428(14) 0.0705(14) 0.9780(11) 0.264(14) Uiso 0.636(9) 1 d P D 2
O300 O 0.0966(11) 1.0868(11) 0.7055(9) 0.203(10) Uiso 0.636(9) 1 d P D 2
O5A O 0.9094(19) 0.4441(19) 0.4443(15) 0.230(19) Uiso 0.466(11) 1 d P E 2
O66Z O 0.8317(8) 0.7808(8) 0.5077(7) 0.114(7) Uiso 0.466(11) 1 d P E 2
O64Z O 0.1651(12) 0.8183(13) 0.9706(13) 0.169(11) Uiso 0.466(11) 1 d P E 2
O50Z O 0.5348(10) 0.2025(11) 0.5122(9) 0.136(8) Uiso 0.466(11) 1 d P E 2
O12B O 0.3331(13) 0.6909(13) 0.4739(11) 0.190(13) Uiso 0.466(11) 1 d P E 2
N11N N 0.2948(14) 0.605(2) 0.5577(18) 0.25(2) Uiso 0.466(11) 1 d PD E 2
O31N O 0.2506(10) 0.6076(12) 0.5709(10) 0.159(10) Uiso 0.466(11) 1 d PD E 2
O32N O 0.3383(9) 0.5956(10) 0.5499(8) 0.125(8) Uiso 0.466(11) 1 d PD E 2
O33N O 0.3012(15) 0.6248(17) 0.5248(15) 0.201(15) Uiso 0.466(11) 1 d PD E 2
N6M N 0.6135(9) 0.5224(10) 0.4761(9) 0.089(7) Uiso 0.451(9) 1 d PD F 2
O16M O 0.6324(9) 0.5150(10) 0.4436(9) 0.131(8) Uiso 0.451(9) 1 d P F 2
O17M O 0.6138(19) 0.4969(19) 0.5044(15) 0.21(2) Uiso 0.451(9) 1 d PD F 2
O18M O 0.6013(8) 0.5614(9) 0.4875(7) 0.080(6) Uiso 0.451(9) 1 d P F 2
N7M N 0.7031(10) 0.5904(9) 0.6052(8) 0.080(6) Uiso 0.451(9) 1 d P F 2
O19M O 0.7093(11) 0.6264(12) 0.6380(9) 0.122(8) Uiso 0.451(9) 1 d P F 2
O20M O 0.6765(10) 0.5597(10) 0.5765(9) 0.132(8) Uiso 0.451(9) 1 d P F 2
O21M O 0.7429(10) 0.5999(10) 0.6016(7) 0.095(7) Uiso 0.451(9) 1 d P F 2
O7Y O 0.7039(10) 0.6409(11) 0.3904(9) 0.117(7) Uiso 0.451(9) 1 d P F 2
O7X O 0.7116(10) 0.1057(11) 0.7453(9) 0.141(9) Uiso 0.451(9) 1 d P F 2
O7W O 0.6661(10) 0.0309(11) 0.7238(10) 0.147(9) Uiso 0.451(9) 1 d P F 2
O7V O 0.7204(9) 0.5138(9) 0.9069(8) 0.127(8) Uiso 0.451(9) 1 d P F 2
O7U O 0.2611(14) 0.4306(15) 1.0230(13) 0.195(13) Uiso 0.451(9) 1 d P F 2
O7T O 0.2168(15) 0.4887(15) 0.9568(13) 0.201(14) Uiso 0.451(9) 1 d P F 2
O7S O 0.7507(17) 0.1811(19) 0.8018(15) 0.233(17) Uiso 0.451(9) 1 d P F 2
O7R O 0.2952(8) 0.6382(10) 0.8067(7) 0.104(7) Uiso 0.451(9) 1 d P F 2
O2A O 0.6500(14) 0.5469(16) 0.2304(13) 0.202(14) Uiso 0.451(9) 1 d P F 2
O2B O 0.5557(10) 0.4582(10) 0.2258(8) 0.135(8) Uiso 0.451(9) 1 d P F 2
O2C O 0.5066(9) 0.4319(9) 0.3016(8) 0.125(8) Uiso 0.451(9) 1 d P F 2
O2D O 0.5330(13) 0.5262(15) 0.3564(11) 0.181(12) Uiso 0.451(9) 1 d P F 2
O8A O 0.4242(8) 0.9516(9) 0.7240(7) 0.115(7) Uiso 0.492(14) 1 d P G 2
O8B O 0.4296(15) 0.0545(17) 0.8131(14) 0.108(12) Uiso 0.246(7) 1 d P G 2
N8M N 0.7550(10) 0.8864(11) 0.3823(10) 0.094(8) Uiso 0.435(14) 1 d P H 2
O22M O 0.7380(9) 0.8970(10) 0.4048(8) 0.112(8) Uiso 0.435(14) 1 d P H 2
O23M O 0.7693(13) 0.8941(13) 0.3444(13) 0.175(13) Uiso 0.435(14) 1 d P H 2
O24M O 0.7485(12) 0.8597(16) 0.3959(11) 0.151(12) Uiso 0.435(14) 1 d P H 2
O68A O 0.1985(10) 0.6158(11) 0.8377(8) 0.134(9) Uiso 0.435(14) 1 d P H 2
O11E O 0.2506(16) 0.2176(18) 0.3378(14) 0.055(11) Uiso 0.153(12) 1 d P I 2
O10A O 0.7480(14) 0.8693(14) 0.7446(12) 0.126(15) Uiso 0.31(2) 1 d P I 2
O70A O 0.0824(15) 0.3571(18) 0.8723(14) 0.129(15) Uiso 0.31(2) 1 d P I 2
O11A O 0.4576(19) 0.4258(19) 1.0160(16) 0.186(18) Uiso 0.321(7) 1 d P J 2
O11B O 0.350(2) 0.422(2) 0.9719(19) 0.22(2) Uiso 0.321(7) 1 d P J 2
O11D O 0.4104(10) 0.5536(11) 0.9347(9) 0.213(11) Uiso 0.641(14) 1 d P J 2
O11F O 0.4822(9) 0.6502(10) 0.9179(8) 0.196(10) Uiso 0.641(14) 1 d P J 2
O11G O 0.0520(8) 0.5344(8) 0.2868(8) 0.150(8) Uiso 0.641(14) 1 d P J 2
O69A O 0.8278(12) 0.4081(12) 0.8451(10) 0.222(12) Uiso 0.641(14) 1 d P J 2
O65A O 0.883(2) 0.4844(19) 0.7921(17) 0.181(17) Uiso 0.321(7) 1 d P J 2
O56A O 0.8902(14) 0.8708(15) 0.5585(11) 0.265(15) Uiso 0.641(14) 1 d P J 2
O56B O 0.9699(16) 0.9345(16) 0.5375(14) 0.161(14) Uiso 0.321(7) 1 d P J 2
O56C O 0.5665(18) 0.4962(19) 1.0257(16) 0.187(18) Uiso 0.321(7) 1 d P J 2
O21 O 0.0445(8) 0.4717(8) 0.7225(7) 0.168(8) Uiso 0.641(14) 1 d P J 2
O51A O 0.4481(11) 0.2459(11) 0.9071(9) 0.134(10) Uiso 0.389(10) 1 d P K 2
O51B O 0.4078(16) 0.2391(16) 0.9965(14) 0.191(15) Uiso 0.389(10) 1 d P K 2
O85 O 0.4298(6) 0.1005(7) 0.4799(5) 0.134(5) Uiso 0.78(2) 1 d P K 2
O1 O 0.6422(4) 0.8656(4) 0.5589(3) 0.114(3) Uiso 1 1 d . . .
O2 O 0.6992(4) 0.8021(4) 0.5236(3) 0.121(3) Uiso 1 1 d . . .
O3 O 0.9296(4) 0.6168(4) 0.4735(4) 0.132(3) Uiso 1 1 d . . .
O4 O 0.8836(5) 0.5338(5) 0.4168(4) 0.146(4) Uiso 1 1 d . . .
O5 O 0.1147(5) 0.4546(5) 0.6657(4) 0.155(4) Uiso 1 1 d . . .
O6 O 0.3036(5) 0.1473(6) 0.8963(5) 0.175(5) Uiso 1 1 d . . .
O7 O 0.0630(5) 0.6559(5) 0.9778(4) 0.155(4) Uiso 1 1 d . . .
O8 O 0.2706(5) 0.1856(5) 0.8708(5) 0.168(5) Uiso 1 1 d . . .
O9 O 0.3049(5) 0.7869(6) 0.5551(5) 0.174(5) Uiso 1 1 d . . .
O10 O 0.3379(5) 0.9306(5) 0.9766(4) 0.167(5) Uiso 1 1 d . . .
O11 O 0.8170(6) 0.2799(6) 0.5423(5) 0.178(5) Uiso 1 1 d . . .
O12 O 0.3554(5) 0.7130(6) 0.8235(5) 0.173(5) Uiso 1 1 d . . .
O13 O 0.3706(6) 0.1077(6) 0.7710(5) 0.191(6) Uiso 1 1 d . . .
O14 O 0.4534(5) 0.7100(5) 0.8350(5) 0.168(5) Uiso 1 1 d . . .
O15 O 0.8114(7) 0.5433(7) 0.7652(6) 0.212(6) Uiso 1 1 d . . .
O16 O 0.4173(7) 0.7765(7) 0.6755(6) 0.228(7) Uiso 1 1 d . . .
O17 O 0.3127(7) 0.8574(8) 0.5077(6) 0.117(6) Uiso 0.50 1 d P . .
O18 O 0.0006(8) 0.1609(9) 0.8189(7) 0.132(7) Uiso 0.50 1 d P . .
O19 O 0.2567(8) 0.9106(9) 0.0305(7) 0.134(7) Uiso 0.50 1 d P . .
O20 O 0.1012(8) 0.7566(9) 0.0313(7) 0.130(7) Uiso 0.50 1 d P . .
O22 O 0.4938(7) 0.7829(8) 0.9067(6) 0.116(6) Uiso 0.50 1 d P . .
O23 O 0.7678(8) 0.6109(8) 0.2253(6) 0.116(6) Uiso 0.50 1 d P . .
O24 O 0.7480(8) 0.7678(8) 0.4519(7) 0.123(6) Uiso 0.50 1 d P . .
O25 O 0.7946(8) 0.4267(8) 0.9955(7) 0.125(6) Uiso 0.50 1 d P . .
O26 O 0.2227(8) 0.1878(8) 0.4129(7) 0.130(7) Uiso 0.50 1 d P . .
O27 O 0.3768(8) 0.1925(8) 0.8388(7) 0.120(6) Uiso 0.50 1 d P . .
O28 O 0.3164(8) 0.7955(8) 0.8528(7) 0.128(7) Uiso 0.50 1 d P . .
O29 O 0.2723(9) 0.0734(9) 0.7367(8) 0.144(8) Uiso 0.50 1 d P . .
O30 O 0.5723(9) 0.1985(9) 0.9840(8) 0.144(8) Uiso 0.50 1 d P . .
O31 O 0.8728(9) 0.2291(9) 0.7119(8) 0.140(7) Uiso 0.50 1 d P . .
O32 O 0.9323(11) 0.7008(11) 0.4239(9) 0.175(10) Uiso 0.50 1 d P . .
O33 O 0.1348(9) -0.0074(9) 0.3502(8) 0.141(8) Uiso 0.50 1 d P . .
O34 O 0.0327(8) 0.1544(9) 0.7423(7) 0.135(7) Uiso 0.50 1 d P . .
O35 O 0.0716(9) 0.0828(9) 0.8046(7) 0.135(7) Uiso 0.50 1 d P . .
O36 O 0.7078(10) 0.1370(11) 0.6004(9) 0.168(9) Uiso 0.50 1 d P . .
O37 O 0.0592(9) 0.1857(9) 0.8931(7) 0.136(7) Uiso 0.50 1 d P . .
O38 O 0.5208(9) 0.1443(9) 0.8343(8) 0.143(8) Uiso 0.50 1 d P . .
O39 O 0.8431(11) 0.8215(12) 0.8665(10) 0.183(11) Uiso 0.50 1 d P . .
O40 O 0.5917(12) 0.8219(12) 0.7056(10) 0.186(11) Uiso 0.50 1 d P . .
O41 O 0.7427(9) 0.4458(9) 0.9124(8) 0.140(7) Uiso 0.50 1 d P . .
O42 O 0.5091(12) 0.7470(12) 0.9744(10) 0.186(11) Uiso 0.50 1 d P . .
O43 O 0.7200(10) 0.2619(11) 0.5578(9) 0.163(9) Uiso 0.50 1 d P . .
O44 O 0.0631(10) 0.8470(10) 0.4459(9) 0.160(9) Uiso 0.50 1 d P . .
O45 O 0.2042(10) -0.0009(10) 0.0389(9) 0.161(9) Uiso 0.50 1 d P . .
O46 O 0.5703(9) 0.8646(9) 0.8860(8) 0.147(8) Uiso 0.50 1 d P . .
O47 O 0.2078(11) 0.7537(11) 0.5664(9) 0.169(9) Uiso 0.50 1 d P . .
O48 O 0.8345(13) 0.8566(13) 0.7956(11) 0.203(12) Uiso 0.50 1 d P . .
O49 O 0.0428(13) 0.9432(13) 0.3670(11) 0.208(13) Uiso 0.50 1 d P . .
O50 O 0.3151(11) 0.4899(12) 0.9134(10) 0.179(10) Uiso 0.50 1 d P . .
O51 O 0.7502(9) 0.5597(10) 0.8347(8) 0.151(8) Uiso 0.50 1 d P . .
O52 O 0.4773(13) 0.7720(14) 0.0876(11) 0.208(13) Uiso 0.50 1 d P . .
O53 O 0.2385(10) 0.0910(11) 0.1058(9) 0.163(9) Uiso 0.50 1 d P . .
O54 O 0.8148(14) 0.3527(15) 0.4291(12) 0.221(14) Uiso 0.50 1 d P . .
O56 O 0.1159(12) 0.7073(13) 0.9094(11) 0.199(12) Uiso 0.50 1 d P . .
O57 O 0.1131(14) 0.6163(14) 0.9257(12) 0.104(10) Uiso 0.25 1 d P . .
O58 O 0.2930(13) 0.9617(13) 0.3468(11) 0.207(13) Uiso 0.50 1 d P . .
O59 O 0.2289(11) 0.0774(11) 0.8226(9) 0.168(9) Uiso 0.50 1 d P . .
O60 O 0.0684(13) 0.8551(13) 0.3647(11) 0.204(12) Uiso 0.50 1 d P . .
O61 O 0.3365(13) 0.5567(13) 0.8128(11) 0.202(12) Uiso 0.50 1 d P . .
O62 O 0.960(3) 0.388(3) 0.794(3) 0.26(3) Uiso 0.25 1 d P . .
O63 O 0.1285(11) 0.3612(12) 0.6589(10) 0.183(11) Uiso 0.50 1 d P . .
O64 O 0.8447(13) 0.4116(13) 0.9465(11) 0.209(13) Uiso 0.50 1 d P . .
O65 O 0.9226(13) 0.8352(14) 0.4956(11) 0.103(10) Uiso 0.25 1 d P . .
O67 O 0.2543(13) 0.8474(14) 0.9099(12) 0.215(13) Uiso 0.50 1 d P . .
O69 O 0.4333(17) 0.9696(17) 1.0280(14) 0.133(14) Uiso 0.25 1 d P . .
O70 O 0.2122(13) 0.3444(14) 0.6746(11) 0.212(13) Uiso 0.50 1 d P . .
O71 O 0.8549(13) 0.7136(14) 0.8316(11) 0.215(13) Uiso 0.50 1 d P . .
O72 O 0.0430(14) 0.5831(15) 1.0324(12) 0.228(15) Uiso 0.50 1 d P . .
O73 O 0.2509(17) 0.4824(18) 0.8381(15) 0.134(14) Uiso 0.25 1 d P . .
O74 O 0.354(2) 0.850(2) 0.9263(17) 0.156(17) Uiso 0.25 1 d P . .
O75 O 0.4118(14) 0.8915(14) 1.0684(12) 0.220(14) Uiso 0.50 1 d P . .
O76 O -0.2151(14) 1.1843(15) 0.7484(12) 0.228(15) Uiso 0.50 1 d P . .
O77 O 0.4349(8) 0.6115(8) 0.8448(7) 0.124(6) Uiso 0.50 1 d P . .
O81 O 0.306(2) 0.882(2) 0.0994(18) 0.172(19) Uiso 0.25 1 d P . .
O82 O 0.4094(19) 1.020(2) 0.2022(17) 0.154(17) Uiso 0.25 1 d P . .
O83 O -0.306(2) 0.940(2) 0.8541(17) 0.159(18) Uiso 0.25 1 d P . .
O84 O 0.1975(10) 0.8604(11) 0.4675(9) 0.170(10) Uiso 0.50 1 d P . .
Ru1B Ru 0.39824(11) 0.61724(11) 0.22304(10) 0.0957(10) Uani 0.378(2) 1 d PD L
-1
Ru2B Ru 0.4886(2) 0.6266(2) 0.2616(3) 0.217(3) Uani 0.378(2) 1 d PD L -1
C1H C 0.4176(8) 0.5932(16) 0.2744(9) 0.28(4) Uiso 0.378(2) 1 d PDU L -1
O1H O 0.3986(11) 0.590(2) 0.3070(10) 0.31(3) Uiso 0.378(2) 1 d PDU L -1
C2H C 0.4624(7) 0.6217(9) 0.1984(5) 0.060(6) Uiso 0.378(2) 1 d PDU L -1
O2H O 0.4834(12) 0.615(3) 0.1680(7) 0.31(3) Uiso 0.378(2) 1 d PDU L -1
C3H C 0.3802(12) 0.5447(7) 0.2033(14) 0.19(2) Uiso 0.378(2) 1 d PDU L -1
O3H O 0.362(3) 0.5022(8) 0.208(2) 0.39(4) Uiso 0.378(2) 1 d PDU L -1
C4H C 0.4893(10) 0.5597(8) 0.2389(10) 0.17(2) Uiso 0.378(2) 1 d PDU L -1
O4H O 0.473(3) 0.5156(10) 0.224(3) 0.37(4) Uiso 0.378(2) 1 d PDU L -1
C5H C 0.4081(16) 0.7044(8) 0.2280(17) 0.19(2) Uiso 0.378(2) 1 d PDU L -1
H5HA H 0.4411 0.7330 0.2359 0.228 Uiso 0.378(2) 1 calc PR L -1
C6H C 0.388(2) 0.6763(16) 0.1860(13) 0.24(3) Uiso 0.378(2) 1 d PDU L -1
H6HA H 0.4041 0.6829 0.1592 0.294 Uiso 0.378(2) 1 calc PR L -1
C7H C 0.3395(16) 0.6418(18) 0.1885(12) 0.30(3) Uiso 0.378(2) 1 d PDU L -1
H7HA H 0.3148 0.6199 0.1637 0.356 Uiso 0.378(2) 1 calc PR L -1
C8H C 0.3288(10) 0.6499(15) 0.2322(14) 0.25(2) Uiso 0.378(2) 1 d PDU L -1
C9H C 0.3723(14) 0.6884(11) 0.2561(13) 0.23(3) Uiso 0.378(2) 1 d PDU L -1
C10H C 0.373(2) 0.706(2) 0.3003(13) 0.26(3) Uiso 0.378(2) 1 d PDU L -1
H10L H 0.4000 0.7342 0.3155 0.313 Uiso 0.378(2) 1 calc PR L -1
C11H C 0.332(3) 0.681(3) 0.3220(14) 0.33(3) Uiso 0.378(2) 1 d PDU L -1
H11O H 0.3315 0.6928 0.3518 0.393 Uiso 0.378(2) 1 calc PR L -1
C12H C 0.291(2) 0.639(3) 0.299(2) 0.32(3) Uiso 0.378(2) 1 d PDU L -1
H12L H 0.2664 0.6177 0.3136 0.387 Uiso 0.378(2) 1 calc PR L -1
C13H C 0.2864(15) 0.628(2) 0.254(2) 0.29(3) Uiso 0.378(2) 1 d PDU L -1
H13N H 0.2555 0.6056 0.2377 0.349 Uiso 0.378(2) 1 calc PR L -1
C14H C 0.5546(12) 0.7011(12) 0.2707(11) 0.20(2) Uiso 0.378(2) 1 d PDU L -1
H14I H 0.5631 0.7240 0.2495 0.240 Uiso 0.378(2) 1 calc PR L -1
C15H C 0.5728(6) 0.6584(16) 0.2726(13) 0.27(3) Uiso 0.378(2) 1 d PDU L -1
H15F H 0.5975 0.6472 0.2541 0.321 Uiso 0.378(2) 1 calc PR L -1
C16H C 0.5562(12) 0.6403(15) 0.3101(12) 0.32(3) Uiso 0.378(2) 1 d PDU L -1
H16E H 0.5661 0.6130 0.3215 0.387 Uiso 0.378(2) 1 calc PR L -1
C17H C 0.5266(14) 0.6709(12) 0.3303(7) 0.26(2) Uiso 0.378(2) 1 d PDU L -1
C18H C 0.5264(14) 0.7089(8) 0.3060(9) 0.24(2) Uiso 0.378(2) 1 d PDU L -1
C19H C 0.5028(18) 0.7474(13) 0.3207(14) 0.183(19) Uiso 0.378(2) 1 d PDU L -1
H19G H 0.5034 0.7734 0.3050 0.219 Uiso 0.378(2) 1 calc PR L -1
C20H C 0.4785(17) 0.7471(17) 0.3589(14) 0.18(2) Uiso 0.378(2) 1 d PDU L -1
H20G H 0.4643 0.7738 0.3695 0.220 Uiso 0.378(2) 1 calc PR L -1
C21H C 0.4754(18) 0.7070(19) 0.3808(12) 0.19(2) Uiso 0.378(2) 1 d PDU L -1
H21F H 0.4531 0.7020 0.4026 0.230 Uiso 0.378(2) 1 calc PR L -1
C22H C 0.5062(19) 0.6739(17) 0.3702(10) 0.20(2) Uiso 0.378(2) 1 d PDU L -1
H22G H 0.5130 0.6542 0.3896 0.240 Uiso 0.378(2) 1 calc PR L -1
Ru1C Ru 0.44170(8) 0.69685(8) 0.31702(6) 0.1039(7) Uani 0.622(2) 1 d PD L -3
Ru2C Ru 0.47994(9) 0.70502(8) 0.23727(8) 0.1242(9) Uani 0.622(2) 1 d PD L -3
C1I C 0.4135(6) 0.7033(10) 0.2607(5) 0.114(7) Uiso 0.622(2) 1 d PDU L -3
O1I O 0.3745(5) 0.7046(6) 0.2491(4) 0.109(5) Uiso 0.622(2) 1 d PDU L -3
C2I C 0.5128(6) 0.7199(12) 0.2976(6) 0.151(11) Uiso 0.622(2) 1 d PDU L -3
O2I O 0.5535(6) 0.7163(12) 0.3099(7) 0.234(13) Uiso 0.622(2) 1 d PDU L -3
C3I C 0.4606(14) 0.7667(7) 0.3439(11) 0.173(13) Uiso 0.622(2) 1 d PDU L -3
O3I O 0.4633(10) 0.8102(6) 0.3483(8) 0.193(9) Uiso 0.622(2) 1 d PDU L -3
C4I C 0.5033(17) 0.7756(6) 0.2579(13) 0.212(17) Uiso 0.622(2) 1 d PDU L -3
O4I O 0.5111(8) 0.8197(6) 0.2576(7) 0.167(8) Uiso 0.622(2) 1 d PDU L -3
C5I C 0.4214(9) 0.6704(9) 0.3775(5) 0.183(13) Uiso 0.622(2) 1 d PDU L -3
H5IA H 0.4258 0.6931 0.4065 0.220 Uiso 0.622(2) 1 calc PR L -3
C6I C 0.4576(8) 0.6473(8) 0.3589(8) 0.215(15) Uiso 0.622(2) 1 d PDU L -3
H6IA H 0.4918 0.6509 0.3729 0.258 Uiso 0.622(2) 1 calc PR L -3
C7I C 0.4347(8) 0.6140(6) 0.3191(8) 0.145(10) Uiso 0.622(2) 1 d PDU L -3
H7IA H 0.4504 0.5910 0.3000 0.174 Uiso 0.622(2) 1 calc PR L -3
C8I C 0.3840(6) 0.6158(6) 0.3131(6) 0.131(9) Uiso 0.622(2) 1 d PDU L -3
C9I C 0.3750(6) 0.6492(8) 0.3491(6) 0.189(13) Uiso 0.622(2) 1 d PDU L -3
C10I C 0.3288(11) 0.6617(13) 0.3496(9) 0.259(19) Uiso 0.622(2) 1 d PDU L -3
H10K H 0.3243 0.6874 0.3721 0.311 Uiso 0.622(2) 1 calc PR L -3
C11I C 0.2893(9) 0.6355(14) 0.3163(11) 0.228(17) Uiso 0.622(2) 1 d PDU L -3
H11N H 0.2579 0.6431 0.3171 0.274 Uiso 0.622(2) 1 calc PR L -3
C12I C 0.2957(8) 0.5987(10) 0.2820(8) 0.144(10) Uiso 0.622(2) 1 d PDU L -3
H12K H 0.2679 0.5790 0.2614 0.173 Uiso 0.622(2) 1 calc PR L -3
C13I C 0.3449(10) 0.5914(11) 0.2787(8) 0.210(15) Uiso 0.622(2) 1 d PDU L -3
H13M H 0.3514 0.5705 0.2537 0.252 Uiso 0.622(2) 1 calc PR L -3
C14I C 0.4867(14) 0.6261(9) 0.2036(10) 0.31(2) Uiso 0.622(2) 1 d PDU L -3
H14H H 0.4826 0.5955 0.2171 0.376 Uiso 0.622(2) 1 calc PR L -3
C15I C 0.5331(10) 0.6656(14) 0.2039(9) 0.33(2) Uiso 0.622(2) 1 d PDU L -3
H15E H 0.5675 0.6668 0.2159 0.401 Uiso 0.622(2) 1 calc PR L -3
C16I C 0.5225(10) 0.6994(13) 0.1789(8) 0.255(19) Uiso 0.622(2) 1 d PDU L -3
H16D H 0.5484 0.7288 0.1705 0.306 Uiso 0.622(2) 1 calc PR L -3
C17I C 0.4696(10) 0.6806(10) 0.1640(6) 0.223(16) Uiso 0.622(2) 1 d PDU L -3
C18I C 0.4475(10) 0.6349(8) 0.1796(7) 0.222(16) Uiso 0.622(2) 1 d PDU L -3
C19I C 0.3944(11) 0.6079(11) 0.1686(12) 0.242(17) Uiso 0.622(2) 1 d PDU L -3
H19F H 0.3789 0.5784 0.1801 0.290 Uiso 0.622(2) 1 calc PR L -3
C20I C 0.3654(9) 0.6241(13) 0.1415(10) 0.179(13) Uiso 0.622(2) 1 d PDU L -3
H20F H 0.3309 0.6042 0.1328 0.215 Uiso 0.622(2) 1 calc PR L -3
C21I C 0.3870(14) 0.6706(16) 0.1266(14) 0.40(3) Uiso 0.622(2) 1 d PDU L -3
H21E H 0.3670 0.6817 0.1079 0.476 Uiso 0.622(2) 1 calc PR L -3
C22I C 0.4391(14) 0.7004(13) 0.1401(13) 0.32(2) Uiso 0.622(2) 1 d PDU L -3
H22F H 0.4530 0.7332 0.1329 0.383 Uiso 0.622(2) 1 calc PR L -3
Ru3A Ru 0.0910(3) 0.7938(2) 0.6984(2) 0.266(4) Uani 0.601(3) 1 d PD M -1
Ru4A Ru 0.11836(10) 0.88226(8) 0.75640(7) 0.1228(9) Uani 0.601(3) 1 d PD M -1
C23G C 0.1599(7) 0.8380(9) 0.7308(7) 0.104(9) Uiso 0.601(3) 1 d PDU M -1
O23G O 0.1978(7) 0.8302(10) 0.7385(9) 0.208(11) Uiso 0.601(3) 1 d PDU M -1
C24G C 0.0562(8) 0.8470(11) 0.7149(10) 0.153(13) Uiso 0.601(3) 1 d PDU M -1
O24G O 0.0158(8) 0.8528(11) 0.7092(10) 0.241(17) Uiso 0.601(3) 1 d PDU M -1
C25G C 0.1139(11) 0.8168(12) 0.6541(10) 0.129(9) Uiso 0.601(3) 1 d PU M -1
O25G O 0.1329(11) 0.8363(12) 0.6245(10) 0.206(11) Uiso 0.601(3) 1 d PU M -1
C26G C 0.1455(15) 0.9238(16) 0.7199(14) 0.167(13) Uiso 0.601(3) 1 d PU M -1
O26G O 0.158(2) 0.9559(19) 0.7034(15) 0.29(2) Uiso 0.601(3) 1 d PU M -1
C27G C 0.0683(12) 0.7096(12) 0.6538(7) 0.225(16) Uiso 0.601(3) 1 d PDU M -1
H27D H 0.0658 0.7045 0.6235 0.270 Uiso 0.601(3) 1 calc PR M -1
C28G C 0.1102(9) 0.7091(9) 0.6800(9) 0.160(11) Uiso 0.601(3) 1 d PDU M -1
H28D H 0.1428 0.7044 0.6701 0.192 Uiso 0.601(3) 1 calc PR M -1
C29G C 0.0980(9) 0.7164(10) 0.7232(8) 0.174(12) Uiso 0.601(3) 1 d PDU M -1
H29E H 0.1198 0.7163 0.7487 0.209 Uiso 0.601(3) 1 calc PR M -1
C30G C 0.0479(8) 0.7217(10) 0.7230(6) 0.100(10) Uiso 0.601(3) 1 d PDU M -1
C31G C 0.0306(9) 0.7192(13) 0.6801(7) 0.194(13) Uiso 0.601(3) 1 d PDU M -1
C32G C -0.0191(11) 0.7207(16) 0.6702(9) 0.239(18) Uiso 0.601(3) 1 d PDU M -1
H32E H -0.0330 0.7135 0.6414 0.287 Uiso 0.601(3) 1 calc PR M -1
C33G C -0.0482(11) 0.7331(19) 0.7044(13) 0.28(3) Uiso 0.601(3) 1 d PDU M -1
H33D H -0.0774 0.7435 0.6990 0.342 Uiso 0.601(3) 1 calc PR M -1
C34G C -0.0332(10) 0.7300(14) 0.7460(10) 0.195(15) Uiso 0.601(3) 1 d PDU M -1
H34C H -0.0556 0.7313 0.7677 0.234 Uiso 0.601(3) 1 calc PR M -1
C35G C 0.0158(11) 0.7248(14) 0.7552(7) 0.190(14) Uiso 0.601(3) 1 d PDU M -1
H35D H 0.0265 0.7234 0.7833 0.228 Uiso 0.601(3) 1 calc PR M -1
C36G C 0.1415(8) 0.9414(7) 0.8142(7) 0.152(10) Uiso 0.601(3) 1 d PDU M -1
H36D H 0.1638 0.9777 0.8161 0.182 Uiso 0.601(3) 1 calc PR M -1
C37G C 0.1583(6) 0.9003(9) 0.8239(6) 0.134(9) Uiso 0.601(3) 1 d PDU M -1
H37E H 0.1943 0.9019 0.8316 0.161 Uiso 0.601(3) 1 calc PR M -1
C38G C 0.1137(7) 0.8585(7) 0.8244(6) 0.115(7) Uiso 0.601(3) 1 d PDU M -1
H38E H 0.1132 0.8239 0.8297 0.138 Uiso 0.601(3) 1 calc PR M -1
C39G C 0.0702(6) 0.8732(7) 0.8152(8) 0.109(7) Uiso 0.601(3) 1 d PDU M -1
C40G C 0.0878(6) 0.9251(7) 0.8091(8) 0.116(8) Uiso 0.601(3) 1 d PDU M -1
C41G C 0.0530(8) 0.9509(7) 0.8030(9) 0.139(10) Uiso 0.601(3) 1 d PDU M -1
H41E H 0.0645 0.9873 0.8047 0.167 Uiso 0.601(3) 1 calc PR M -1
C42G C -0.0003(8) 0.9231(9) 0.7943(10) 0.134(9) Uiso 0.601(3) 1 d PDU M -1
H42E H -0.0231 0.9384 0.7830 0.160 Uiso 0.601(3) 1 calc PR M -1
C43G C -0.0183(6) 0.8737(10) 0.8023(10) 0.153(11) Uiso 0.601(3) 1 d PDU M -1
H43E H -0.0539 0.8576 0.8017 0.183 Uiso 0.601(3) 1 calc PR M -1
C44G C 0.0158(8) 0.8472(8) 0.8113(9) 0.135(9) Uiso 0.601(3) 1 d PDU M -1
H44D H 0.0033 0.8124 0.8148 0.161 Uiso 0.601(3) 1 calc PR M -1
Ru3B Ru 0.09380(9) 0.78527(10) 0.69429(9) 0.0502(6) Uani 0.399(3) 1 d PD M -2
Ru4B Ru 0.02246(8) 0.78053(10) 0.75574(8) 0.0787(9) Uani 0.399(3) 1 d PDU M -2
C23H C 0.0593(14) 0.7321(11) 0.7294(11) 0.100(15) Uiso 0.399(3) 1 d PDU M -2
O23H O 0.0675(8) 0.6959(7) 0.7399(7) 0.110(7) Uiso 0.399(3) 1 d PDU M -2
C24H C 0.0482(10) 0.8267(10) 0.7148(8) 0.082(9) Uiso 0.399(3) 1 d PDU M -2
O24H O 0.0308(6) 0.8563(5) 0.7031(5) 0.052(4) Uiso 0.399(3) 1 d PDU M -2
C25H C 0.0419(15) 0.7507(15) 0.6514(13) 0.107(11) Uiso 0.399(3) 1 d PU M -2
O25H O 0.0204(13) 0.7193(13) 0.6245(11) 0.152(11) Uiso 0.399(3) 1 d PU M -2
C26H C -0.0278(14) 0.7415(14) 0.7214(12) 0.092(8) Uiso 0.399(3) 1 d PU M -2
O26H O -0.0643(10) 0.7149(11) 0.6958(8) 0.111(8) Uiso 0.399(3) 1 d PU M -2
C27H C 0.1530(11) 0.8003(9) 0.6588(7) 0.132(12) Uiso 0.399(3) 1 d PDU M -2
H27E H 0.1507 0.7907 0.6270 0.159 Uiso 0.399(3) 1 calc PR M -2
C28H C 0.1623(9) 0.7691(7) 0.6873(8) 0.099(9) Uiso 0.399(3) 1 d PDU M -2
H28E H 0.1661 0.7338 0.6786 0.119 Uiso 0.399(3) 1 calc PR M -2
C29H C 0.1746(10) 0.8004(9) 0.7287(7) 0.104(10) Uiso 0.399(3) 1 d PDU M -2
H29F H 0.1820 0.7888 0.7552 0.125 Uiso 0.399(3) 1 calc PR M -2
C30H C 0.1715(13) 0.8507(8) 0.7264(6) 0.100(12) Uiso 0.399(3) 1 d PDU M -2
C31H C 0.1592(11) 0.8501(7) 0.6830(6) 0.093(8) Uiso 0.399(3) 1 d PDU M -2
C32H C 0.1568(12) 0.8952(9) 0.6702(6) 0.119(11) Uiso 0.399(3) 1 d PDU M -2
H32F H 0.1483 0.8940 0.6410 0.143 Uiso 0.399(3) 1 calc PR M -2
C33H C 0.1669(13) 0.9427(8) 0.7004(8) 0.083(9) Uiso 0.399(3) 1 d PDU M -2
H33E H 0.1682 0.9739 0.6916 0.100 Uiso 0.399(3) 1 calc PR M -2
C34H C 0.1749(14) 0.9419(8) 0.7447(7) 0.126(12) Uiso 0.399(3) 1 d PDU M -2
H34D H 0.1765 0.9717 0.7659 0.152 Uiso 0.399(3) 1 calc PR M -2
C35H C 0.1805(12) 0.8973(9) 0.7571(6) 0.110(10) Uiso 0.399(3) 1 d PDU M -2
H35E H 0.1902 0.8986 0.7860 0.132 Uiso 0.399(3) 1 calc PR M -2
C36H C -0.0133(8) 0.7738(8) 0.8188(8) 0.100(9) Uiso 0.399(3) 1 d PDU M -2
H36E H -0.0458 0.7475 0.8224 0.120 Uiso 0.399(3) 1 calc PR M -2
C37H C 0.0365(10) 0.7697(8) 0.8248(7) 0.117(11) Uiso 0.399(3) 1 d PDU M -2
H37F H 0.0451 0.7398 0.8329 0.140 Uiso 0.399(3) 1 calc PR M -2
C38H C 0.0718(7) 0.8177(9) 0.8218(8) 0.090(8) Uiso 0.399(3) 1 d PDU M -2
H38F H 0.1098 0.8270 0.8265 0.108 Uiso 0.399(3) 1 calc PR M -2
C39H C 0.0442(7) 0.8521(7) 0.8147(10) 0.101(9) Uiso 0.399(3) 1 d PDU M -2
C40H C -0.0084(7) 0.8243(7) 0.8118(10) 0.094(9) Uiso 0.399(3) 1 d PDU M -2
C41H C -0.0472(7) 0.8448(10) 0.8034(12) 0.137(13) Uiso 0.399(3) 1 d PDU M -2
H41F H -0.0822 0.8252 0.8009 0.164 Uiso 0.399(3) 1 calc PR M -2
C42H C -0.0301(9) 0.8996(9) 0.7986(11) 0.102(10) Uiso 0.399(3) 1 d PDU M -2
H42F H -0.0551 0.9159 0.7940 0.123 Uiso 0.399(3) 1 calc PR M -2
C43H C 0.0234(10) 0.9289(8) 0.8007(12) 0.106(10) Uiso 0.399(3) 1 d PDU M -2
H43F H 0.0337 0.9634 0.7964 0.127 Uiso 0.399(3) 1 calc PR M -2
C44H C 0.0591(8) 0.9043(8) 0.8093(9) 0.088(8) Uiso 0.399(3) 1 d PDU M -2
H44E H 0.0944 0.9229 0.8117 0.105 Uiso 0.399(3) 1 calc PR M -2
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 Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables 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_site_symmetry_3
N1A Pd1 N7A 87.8(3) .
N1A Pd1 N1B 92.9(3) .
N7A Pd1 N1B 179.3(3) .
N1A Pd1 N2B 178.8(3) .
N7A Pd1 N2B 92.8(3) .
N1B Pd1 N2B 86.5(3) .
N37A Pd2 N8A 86.8(3) .
N37A Pd2 N4B 178.8(3) .
N8A Pd2 N4B 93.5(3) .
N37A Pd2 N3B 93.2(3) .
N8A Pd2 N3B 179.5(3) .
N4B Pd2 N3B 86.5(3) .
N38A Pd3 N6B 93.5(3) .
N38A Pd3 N3A 85.7(3) .
N6B Pd3 N3A 177.5(3) .
N38A Pd3 N5B 179.5(3) .
N6B Pd3 N5B 86.6(3) .
N3A Pd3 N5B 94.2(3) .
N9A Pd4 N19A 86.8(3) .
N9A Pd4 N8B 179.5(3) .
N19A Pd4 N8B 93.7(3) .
N9A Pd4 N7B 92.6(3) .
N19A Pd4 N7B 179.0(3) .
N8B Pd4 N7B 86.9(3) .
N20A Pd5 N2A 85.7(3) .
N20A Pd5 N9B 177.5(3) .
N2A Pd5 N9B 93.3(3) .
N20A Pd5 N10B 95.2(3) .
N2A Pd5 N10B 179.0(3) .
N9B Pd5 N10B 85.9(3) .
N11B Pd6 N21A 95.6(3) .
N11B Pd6 N15A 176.0(5) .
N21A Pd6 N15A 85.9(3) .
N11B Pd6 N12B 85.8(4) .
N21A Pd6 N12B 175.8(5) .
N15A Pd6 N12B 92.5(4) .
N43A Pd7 N13A 85.4(3) .
N43A Pd7 N14B 179.3(3) .
N13A Pd7 N14B 94.2(3) .
N43A Pd7 N13B 94.1(3) .
N13A Pd7 N13B 179.1(3) .
N14B Pd7 N13B 86.2(3) .
N14A Pd8 N25A 86.1(3) .
N14A Pd8 N15B 94.0(3) .
N25A Pd8 N15B 178.6(3) .
N14A Pd8 N16B 177.4(3) .
N25A Pd8 N16B 93.7(3) .
N15B Pd8 N16B 86.2(3) .
N31A Pd9 N39A 86.8(3) .
N31A Pd9 N21B 93.1(4) .
N39A Pd9 N21B 179.3(4) .
N31A Pd9 N22B 177.5(4) .
N39A Pd9 N22B 92.8(4) .
N21B Pd9 N22B 87.2(5) .
N26A Pd10 N32A 85.8(3) .
N26A Pd10 N17B 92.9(4) .
N32A Pd10 N17B 178.7(4) .
N26A Pd10 N18B 179.1(4) .
N32A Pd10 N18B 94.3(4) .
N17B Pd10 N18B 86.9(4) .
N44A Pd11 N19B 92.8(6) .
N44A Pd11 N33A 87.7(4) .
N19B Pd11 N33A 178.9(9) .
N44A Pd11 N20B 178.2(5) .
N19B Pd11 N20B 85.4(7) .
N33A Pd11 N20B 94.1(5) .
N45A Pd12 N27A 84.7(3) .
N45A Pd12 N23B 177.6(5) .
N27A Pd12 N23B 95.6(4) .
N45A Pd12 N24B 95.2(5) .
N27A Pd12 N24B 179.6(5) .
N23B Pd12 N24B 84.5(5) .
N1A C1A C2A 120.8(7) .
C3A C2A C1A 118.4(7) .
C4A C3A C2A 119.4(7) .
C4A C3A C16A 121.2(7) .
C2A C3A C16A 119.4(7) .
C3A C4A C5A 119.1(8) .
N1A C5A C4A 122.7(7) .
N2A C6A C7A 121.9(7) .
C8A C7A C6A 118.7(7) .
C9A C8A C7A 119.1(7) .
C9A C8A C17A 121.3(7) .
C7A C8A C17A 119.6(7) .
C8A C9A C10A 119.6(7) .
N2A C10A C9A 121.9(7) .
N3A C11A C12A 122.4(8) .
C13A C12A C11A 116.8(8) .
C14A C13A C12A 119.6(8) .
C14A C13A C18A 121.5(7) .
C12A C13A C18A 118.9(7) .
C13A C14A C15A 120.0(8) .
N3A C15A C14A 120.7(8) .
N6A C16A N4A 124.4(7) .
N6A C16A C3A 119.0(7) .
N4A C16A C3A 116.5(6) .
N4A C17A N5A 126.7(7) .
N4A C17A C8A 117.8(7) .
N5A C17A C8A 115.4(6) .
N5A C18A N6A 123.7(7) .
N5A C18A C13A 117.4(7) .
N6A C18A C13A 118.7(7) .
N7A C19A C20A 121.1(8) .
C21A C20A C19A 120.3(8) .
C22A C21A C20A 117.9(8) .
C22A C21A C34A 122.4(8) .
C20A C21A C34A 119.5(8) .
C21A C22A C23A 119.8(8) .
N7A C23A C22A 122.0(8) .
N8A C24A C25A 120.8(8) .
C26A C25A C24A 119.5(8) .
C25A C26A C27A 118.7(8) .
C25A C26A C35A 122.1(8) .
C27A C26A C35A 119.1(8) .
C26A C27A C28A 119.6(8) .
N8A C28A C27A 120.7(8) .
N9A C29A C30A 123.9(9) .
C29A C30A C31A 119.3(9) .
C30A C31A C32A 117.9(8) .
C30A C31A C36A 121.7(8) .
C32A C31A C36A 120.2(8) .
C31A C32A C33A 117.8(8) .
N9A C33A C32A 123.5(8) .
N12A C34A N10A 126.0(8) .
N12A C34A C21A 117.7(7) .
N10A C34A C21A 116.1(8) .
N11A C35A N10A 124.9(8) .
N11A C35A C26A 118.1(7) .
N10A C35A C26A 116.9(7) .
N11A C36A N12A 124.0(7) .
N11A C36A C31A 118.1(7) .
N12A C36A C31A 117.8(7) .
N37A C37A C38A 123.6(8) .
C37A C38A C39A 118.7(7) .
C40A C39A C38A 118.1(8) .
C40A C39A C52A 120.9(8) .
C38A C39A C52A 121.0(8) .
C41A C40A C39A 118.4(8) .
N37A C41A C40A 123.3(7) .
C43A C42A N38A 122.3(8) .
C42A C43A C44A 120.8(8) .
C53A C44A C43A 121.0(8) .
C53A C44A C45A 124.2(9) .
C43A C44A C45A 114.8(9) .
C46A C45A C44A 120.9(9) .
C45A C46A N38A 124.1(9) .
N15A C47A C48A 125.2(9) .
C49A C48A C47A 114.1(10) .
C50A C49A C48A 120.6(9) .
C50A C49A C54A 120.0(9) .
C48A C49A C54A 119.0(10) .
C51A C50A C49A 119.6(9) .
N15A C51A C50A 121.6(10) .
N42A C52A N40A 124.2(8) .
N42A C52A C39A 117.8(8) .
N40A C52A C39A 118.1(7) .
N40A C53A N41A 123.0(9) .
N40A C53A C44A 120.1(8) .
N41A C53A C44A 116.9(8) .
N42A C54A N41A 126.2(8) .
N42A C54A C49A 118.5(9) .
N41A C54A C49A 115.2(8) .
N19A C55A C56A 123.3(8) .
C55A C56A C57A 118.8(8) .
C58A C57A C56A 118.4(8) .
C58A C57A C70A 121.4(8) .
C56A C57A C70A 120.2(8) .
C57A C58A C59A 118.6(8) .
N19A C59A C58A 123.0(8) .
N20A C60A C61A 123.8(8) .
C60A C61A C62A 118.6(8) .
C63A C62A C61A 118.0(8) .
C63A C62A C71A 121.5(8) .
C61A C62A C71A 120.4(8) .
C62A C63A C64A 121.0(8) .
N20A C64A C63A 120.2(8) .
N21A C65A C66A 122.6(9) .
C67A C66A C65A 117.4(9) .
C68A C67A C66A 119.3(8) .
C68A C67A C72A 120.6(8) .
C66A C67A C72A 120.1(8) .
C69A C68A C67A 119.3(9) .
N21A C69A C68A 122.3(9) .
N24A C70A N22A 126.5(8) .
N24A C70A C57A 117.5(7) .
N22A C70A C57A 115.8(7) .
N23A C71A N22A 126.8(8) .
N23A C71A C62A 117.0(7) .
N22A C71A C62A 116.2(7) .
N24A C72A N23A 126.7(8) .
N24A C72A C67A 118.2(8) .
N23A C72A C67A 115.0(8) .
N13A C73A C74A 122.4(7) .
C73A C74A C75A 118.0(8) .
C76A C75A C74A 119.2(8) .
C76A C75A C88A 120.9(7) .
C74A C75A C88A 119.7(8) .
C77A C76A C75A 118.8(7) .
N13A C77A C76A 122.6(8) .
N14A C78A C79A 121.4(8) .
C80A C79A C78A 117.9(8) .
C79A C80A C81A 119.5(7) .
C79A C80A C89A 121.6(7) .
C81A C80A C89A 119.0(8) .
C82A C81A C80A 119.1(8) .
N14A C82A C81A 123.1(8) .
N39A C83A C84A 122.3(9) .
C85A C84A C83A 119.1(8) .
C86A C85A C84A 119.7(9) .
C86A C85A C90A 118.8(8) .
C84A C85A C90A 121.5(8) .
C85A C86A C87A 118.8(9) .
N39A C87A C86A 120.5(8) .
N16A C88A N18A 125.9(7) .
N16A C88A C75A 118.7(7) .
N18A C88A C75A 115.4(7) .
N17A C89A N16A 125.1(7) .
N17A C89A C80A 118.0(7) .
N16A C89A C80A 116.8(7) .
N18A C90A N17A 125.5(8) .
N18A C90A C85A 116.5(7) .
N17A C90A C85A 118.0(7) .
N43A C91A C92A 121.4(9) .
C93A C92A C91A 117.9(9) .
C92A C93A C94A 120.0(9) .
C92A C93A C106 119.1(9) .
C94A C93A C106 120.8(9) .
C93A C94A C95A 119.6(9) .
N43A C95A C94A 120.5(8) .
C97A C96A N44A 119.9(13) .
C98A C97A C96A 123.1(12) .
C97A C98A C99A 117.8(12) .
C97A C98A C107 122.6(11) .
C99A C98A C107 119.5(12) .
C98A C99A C100 118.3(12) .
N44A C100 C99A 121.4(12) .
N45A C101 C102 125.0(10) .
C103 C102 C101 118.8(13) .
C102 C103 C104 117.7(11) .
C102 C103 C108 123.9(12) .
C104 C103 C108 118.5(10) .
C105 C104 C103 119.6(10) .
N45A C105 C104 122.0(12) .
N46A C106 N48A 124.8(9) .
N46A C106 C93A 118.7(10) .
N48A C106 C93A 116.5(10) .
N47A C107 N46A 126.6(10) .
N47A C107 C98A 117.2(10) .
N46A C107 C98A 116.2(11) .
N47A C108 N48A 122.8(11) .
N47A C108 C103 118.5(11) .
N48A C108 C103 118.5(11) .
N25A C109 C110 123.1(9) .
C109 C110 C111 120.2(9) .
C110 C111 C112 117.8(9) .
C110 C111 C124 121.5(8) .
C112 C111 C124 120.7(8) .
C113 C112 C111 118.4(9) .
C112 C113 N25A 122.0(9) .
N26A C114 C115 122.3(9) .
C114 C115 C116 120.2(9) .
C115 C116 C117 117.3(9) .
C115 C116 C125 121.1(8) .
C117 C116 C125 121.6(9) .
C118 C117 C116 120.3(9) .
N26A C118 C117 121.0(9) .
N27A C119 C120 119.1(10) .
C121 C120 C119 120.9(10) .
C120 C121 C122 118.8(9) .
C120 C121 C126 121.4(9) .
C122 C121 C126 119.7(9) .
C123 C122 C121 117.8(9) .
N27A C123 C122 122.1(10) .
N30A C124 N28A 124.7(8) .
N30A C124 C111 118.7(8) .
N28A C124 C111 116.5(8) .
N29A C125 N28A 125.4(9) .
N29A C125 C116 117.5(8) .
N28A C125 C116 117.1(9) .
N30A C126 N29A 125.8(9) .
N30A C126 C121 117.4(9) .
N29A C126 C121 116.8(9) .
N31A C127 C128 125.2(10) .
C129 C128 C127 116.2(11) .
C130 C129 C128 118.7(11) .
C130 C129 C142 122.5(10) .
C128 C129 C142 118.7(11) .
C131 C130 C129 120.3(10) .
N31A C131 C130 123.3(10) .
N33A C132 C133 124.8(13) .
C132 C133 C134 116.9(12) .
C135 C134 C133 119.4(11) .
C135 C134 C143 120.0(12) .
C133 C134 C143 120.1(11) .
C136 C135 C134 116.4(11) .
N33A C136 C135 125.0(11) .
N32A C137 C138 120.4(11) .
C139 C138 C137 120.6(11) .
C138 C139 C140 118.6(10) .
C138 C139 C144 123.8(10) .
C140 C139 C144 117.6(10) .
C139 C140 C141 117.9(10) .
N32A C141 C140 122.5(10) .
N36A C142 N34A 125.8(11) .
N36A C142 C129 119.0(11) .
N34A C142 C129 115.2(11) .
N36A C143 N35A 123.2(11) .
N36A C143 C134 118.3(10) .
N35A C143 C134 118.5(10) .
N35A C144 N34A 127.0(10) .
N35A C144 C139 119.9(10) .
N34A C144 C139 113.2(10) .
C4BB C3BB N1B 112.7(13) .
C3BB C4BB N2B 119.7(13) .
N4B C9BA C10B 112(2) .
N3B C10B C9BA 126(2) .
N4B C9C C10C 103(2) .
N3B C10C C9C 92.1(19) .
N6B C15B C16B 110.0(9) .
C15B C16B N5B 108.4(9) .
C22B C21B N7B 105.0(16) .
C21B C22B N8B 107.9(15) .
C22C C21C N7B 114(2) .
C21C C22C N8B 109(2) .
N9B C27B C28B 105.5(13) .
N10B C28B C27B 109.9(12) .
C28C C27C N9B 113(3) .
N10B C28C C27C 98(3) .
N11B C33B C34B 115.1(19) .
N12B C34B C33B 106(2) .
N11B C31C C32C 39.6(11) .
N11B C32C C31C 41.6(12) .
C34C C33C N11B 104(2) .
C33C C34C N12B 99.5(18) .
C40B C39B N13B 116.4(12) .
C39B C40B N14B 118.8(12) .
C46B C45B N15B 111.0(9) .
C45B C46B N16B 110.1(8) .
C52B C51B N21B 110.7(15) .
C51B C52B N22B 115.9(15) .
C58B C57B N18B 113.2(15) .
C57B C58B N17B 112.5(14) .
N19B C63B C64B 118(4) .
N20B C64B C63B 115(3) .
C70B C69B N23B 114(2) .
C69B C70B N24B 119.9(19) .
C5A N1A C1A 119.5(7) .
C5A N1A Pd1 120.1(5) .
C1A N1A Pd1 120.4(5) .
C6A N2A C10A 118.7(6) .
C6A N2A Pd5 119.3(5) .
C10A N2A Pd5 120.7(5) .
C11A N3A C15A 120.4(7) .
C11A N3A Pd3 119.5(6) .
C15A N3A Pd3 119.6(6) .
C17A N4A C16A 114.6(6) .
C17A N5A C18A 114.9(7) .
C16A N6A C18A 115.7(7) .
C23A N7A C19A 118.8(8) .
C23A N7A Pd1 121.0(6) .
C19A N7A Pd1 119.9(6) .
C24A N8A C28A 120.6(7) .
C24A N8A Pd2 119.3(6) .
C28A N8A Pd2 119.7(6) .
C29A N9A C33A 117.4(8) .
C29A N9A Pd4 121.2(6) .
C33A N9A Pd4 120.6(6) .
C34A N10A C35A 114.0(7) .
C35A N11A C36A 116.3(7) .
C34A N12A C36A 114.6(7) .
C77A N13A C73A 118.9(7) .
C77A N13A Pd7 120.6(5) .
C73A N13A Pd7 119.9(5) .
C82A N14A C78A 118.9(7) .
C82A N14A Pd8 118.6(5) .
C78A N14A Pd8 122.2(6) .
C47A N15A C51A 118.5(8) .
C47A N15A Pd6 119.8(6) .
C51A N15A Pd6 120.7(7) .
C88A N16A C89A 114.2(7) .
C89A N17A C90A 115.0(7) .
C90A N18A C88A 114.3(7) .
C59A N19A C55A 117.7(7) .
C59A N19A Pd4 121.4(6) .
C55A N19A Pd4 120.7(6) .
C60A N20A C64A 118.3(7) .
C60A N20A Pd5 120.5(6) .
C64A N20A Pd5 120.9(5) .
C69A N21A C65A 119.0(8) .
C69A N21A Pd6 119.2(6) .
C65A N21A Pd6 121.2(6) .
C71A N22A C70A 112.4(7) .
C71A N23A C72A 113.2(7) .
C72A N24A C70A 114.2(7) .
C109 N25A C113 118.3(8) .
C109 N25A Pd8 120.3(6) .
C113 N25A Pd8 121.4(6) .
C114 N26A C118 118.7(8) .
C114 N26A Pd10 121.4(7) .
C118 N26A Pd10 119.8(7) .
C123 N27A C119 121.2(9) .
C123 N27A Pd12 118.9(7) .
C119 N27A Pd12 119.3(7) .
C125 N28A C124 114.1(8) .
C125 N29A C126 114.7(8) .
C126 N30A C124 115.3(8) .
C127 N31A C131 116.3(10) .
C127 N31A Pd9 121.5(7) .
C131 N31A Pd9 122.2(8) .
C137 N32A C141 119.7(10) .
C137 N32A Pd10 119.9(8) .
C141 N32A Pd10 120.3(7) .
C136 N33A C132 117.2(11) .
C136 N33A Pd11 121.4(9) .
C132 N33A Pd11 119.2(10) .
C142 N34A C144 110.9(10) .
C144 N35A C143 116.3(10) .
C143 N36A C142 116.6(10) .
C37A N37A C41A 117.8(7) .
C37A N37A Pd2 121.2(6) .
C41A N37A Pd2 121.0(5) .
C46A N38A C42A 117.1(8) .
C46A N38A Pd3 121.9(6) .
C42A N38A Pd3 121.0(6) .
C83A N39A C87A 119.5(8) .
C83A N39A Pd9 121.4(6) .
C87A N39A Pd9 118.8(6) .
C53A N40A C52A 116.5(8) .
C54A N41A C53A 115.3(8) .
C54A N42A C52A 114.7(8) .
C95A N43A C91A 120.4(8) .
C95A N43A Pd7 122.3(6) .
C91A N43A Pd7 117.1(6) .
C100 N44A C96A 119.5(11) .
C100 N44A Pd11 119.8(9) .
C96A N44A Pd11 120.7(9) .
C105 N45A C101 116.9(10) .
C105 N45A Pd12 118.3(9) .
C101 N45A Pd12 124.4(7) .
C106 N46A C107 114.4(9) .
C108 N47A C107 114.7(10) .
C106 N48A C108 116.7(10) .
C2BB N1B C1BC 114.7(11) .
C2BB N1B C3BB 100.2(11) .
C1BC N1B C3BB 113.8(11) .
C2BB N1B Pd1 112.7(8) .
C1BC N1B Pd1 108.8(8) .
C3BB N1B Pd1 106.3(8) .
C6BB N2B C5BB 100.3(11) .
C6BB N2B C4BB 109.5(10) .
C5BB N2B C4BB 112.9(10) .
C6BB N2B Pd1 113.7(8) .
C5BB N2B Pd1 114.5(8) .
C4BB N2B Pd1 106.0(7) .
C10B N3B C11B 109(2) .
C10B N3B C12C 83.9(17) .
C11B N3B C12C 129.1(19) .
C10B N3B C11C 123.7(18) .
C11B N3B C11C 16(2) .
C12C N3B C11C 119.7(16) .
C10B N3B C12B 107.9(16) .
C11B N3B C12B 109.4(18) .
C12C N3B C12B 26.1(12) .
C11C N3B C12B 96.8(15) .
C10B N3B C10C 23.0(14) .
C11B N3B C10C 90.4(18) .
C12C N3B C10C 106.3(15) .
C11C N3B C10C 106.1(16) .
C12B N3B C10C 128.6(14) .
C10B N3B Pd2 104.4(12) .
C11B N3B Pd2 114.1(15) .
C12C N3B Pd2 109.2(11) .
C11C N3B Pd2 112.2(11) .
C12B N3B Pd2 111.6(10) .
C10C N3B Pd2 101.4(10) .
C8C N4B C7BA 77(2) .
C8C N4B C9BA 110(2) .
C7BA N4B C9BA 119.7(17) .
C8C N4B C9C 130(2) .
C7BA N4B C9C 111.6(18) .
C9BA N4B C9C 22.5(14) .
C8C N4B C8BA 24.2(19) .
C7BA N4B C8BA 101.0(16) .
C9BA N4B C8BA 96.9(16) .
C9C N4B C8BA 119.4(17) .
C8C N4B C7C 99(2) .
C7BA N4B C7C 21.8(15) .
C9BA N4B C7C 110.7(17) .
C9C N4B C7C 96.3(17) .
C8BA N4B C7C 122.7(15) .
C8C N4B Pd2 119.0(17) .
C7BA N4B Pd2 116.9(13) .
C9BA N4B Pd2 111.0(11) .
C9C N4B Pd2 100.9(13) .
C8BA N4B Pd2 107.9(9) .
C7C N4B Pd2 107.2(11) .
C17B N5B C18B 106.4(8) .
C17B N5B C16B 112.4(8) .
C18B N5B C16B 108.6(8) .
C17B N5B Pd3 109.6(6) .
C18B N5B Pd3 113.9(6) .
C16B N5B Pd3 106.1(6) .
C15B N6B C13B 110.6(8) .
C15B N6B C14B 107.6(7) .
C13B N6B C14B 106.2(7) .
C15B N6B Pd3 105.5(6) .
C13B N6B Pd3 112.5(5) .
C14B N6B Pd3 114.4(6) .
C19C N7B C20B 88.5(17) .
C19C N7B C20C 110(2) .
C20B N7B C20C 21.6(17) .
C19C N7B C19B 25.4(14) .
C20B N7B C19B 112.9(15) .
C20C N7B C19B 134.2(18) .
C19C N7B C21C 108.0(17) .
C20B N7B C21C 124.6(15) .
C20C N7B C21C 114.2(18) .
C19B N7B C21C 87.7(14) .
C19C N7B C21B 130.4(16) .
C20B N7B C21B 104.2(13) .
C20C N7B C21B 88.9(17) .
C19B N7B C21B 114.1(13) .
C21C N7B C21B 27.6(10) .
C19C N7B Pd4 113.6(13) .
C20B N7B Pd4 116.1(11) .
C20C N7B Pd4 106.1(15) .
C19B N7B Pd4 106.1(10) .
C21C N7B Pd4 104.9(10) .
C21B N7B Pd4 103.3(8) .
C24C N8B C23B 114.2(17) .
C24C N8B C23C 131.7(17) .
C23B N8B C23C 22.2(12) .
C24C N8B C24B 20.4(16) .
C23B N8B C24B 93.9(15) .
C23C N8B C24B 112.5(15) .
C24C N8B C22B 91.6(15) .
C23B N8B C22B 126.5(14) .
C23C N8B C22B 107.5(14) .
C24B N8B C22B 106.4(14) .
C24C N8B C22C 116.1(17) .
C23B N8B C22C 102.6(15) .
C23C N8B C22C 81.6(15) .
C24B N8B C22C 126.2(16) .
C22B N8B C22C 27.4(11) .
C24C N8B Pd4 107.3(13) .
C23B N8B Pd4 110.4(10) .
C23C N8B Pd4 109.9(10) .
C24B N8B Pd4 115.4(11) .
C22B N8B Pd4 104.4(8) .
C22C N8B Pd4 105.9(10) .
C25C N9B C27B 128.0(18) .
C25C N9B C25B 27.2(16) .
C27B N9B C25B 109.2(10) .
C25C N9B C26C 109(2) .
C27B N9B C26C 82.9(16) .
C25B N9B C26C 130.8(16) .
C25C N9B C26B 79.3(19) .
C27B N9B C26B 108.7(10) .
C25B N9B C26B 104.6(10) .
C26C N9B C26B 31.0(13) .
C25C N9B C27C 115(2) .
C27B N9B C27C 25.9(15) .
C25B N9B C27C 89.9(16) .
C26C N9B C27C 109(2) .
C26B N9B C27C 132.1(18) .
C25C N9B Pd5 114.0(15) .
C27B N9B Pd5 108.7(8) .
C25B N9B Pd5 111.1(6) .
C26C N9B Pd5 109.1(13) .
C26B N9B Pd5 114.4(7) .
C27C N9B Pd5 101.4(15) .
C28C N10B C29B 76(2) .
C28C N10B C30B 119(2) .
C29B N10B C30B 117.9(13) .
C28C N10B C28B 36.3(19) .
C29B N10B C28B 111.8(11) .
C30B N10B C28B 97.9(12) .
C28C N10B C30C 124(2) .
C29B N10B C30C 100.6(18) .
C30B N10B C30C 18.4(15) .
C28B N10B C30C 111.9(17) .
C28C N10B C29C 100(2) .
C29B N10B C29C 24.7(12) .
C30B N10B C29C 102.3(15) .
C28B N10B C29C 135.7(14) .
C30C N10B C29C 84(2) .
C28C N10B Pd5 115.4(18) .
C29B N10B Pd5 110.6(8) .
C30B N10B Pd5 113.1(8) .
C28B N10B Pd5 104.0(8) .
C30C N10B Pd5 118.2(14) .
C29C N10B Pd5 103.5(11) .
C32C N11B C31C 98.8(18) .
C32C N11B C31B 120.2(19) .
C31C N11B C31B 21.7(15) .
C32C N11B C33B 98.3(17) .
C31C N11B C33B 122.4(16) .
C31B N11B C33B 111.7(14) .
C32C N11B C33C 129.9(17) .
C31C N11B C33C 100.3(16) .
C31B N11B C33C 83.1(15) .
C33B N11B C33C 33.8(11) .
C32C N11B C32B 14.1(16) .
C31C N11B C32B 91.0(16) .
C31B N11B C32B 112.6(16) .
C33B N11B C32B 112.4(15) .
C33C N11B C32B 143.7(16) .
C32C N11B Pd6 109.5(13) .
C31C N11B Pd6 120.8(12) .
C31B N11B Pd6 111.4(13) .
C33B N11B Pd6 103.9(10) .
C33C N11B Pd6 99.3(11) .
C32B N11B Pd6 104.3(10) .
C36C N12B C34B 91(2) .
C36C N12B C35B 90(2) .
C34B N12B C35B 122.8(16) .
C36C N12B C34C 116(2) .
C34B N12B C34C 25.9(12) .
C35B N12B C34C 113.5(14) .
C36C N12B C36B 12(3) .
C34B N12B C36B 92.0(18) .
C35B N12B C36B 99.7(18) .
C34C N12B C36B 117.9(16) .
C36C N12B C35C 125(2) .
C34B N12B C35C 103.8(18) .
C35B N12B C35C 37.2(11) .
C34C N12B C35C 83.9(13) .
C36B N12B C35C 135.5(16) .
C36C N12B Pd6 121(2) .
C34B N12B Pd6 111.5(12) .
C35B N12B Pd6 116.0(11) .
C34C N12B Pd6 100.5(10) .
C36B N12B Pd6 110.0(12) .
C35C N12B Pd6 102.4(10) .
C37B N13B C38B 110.8(8) .
C37B N13B C39B 108.2(9) .
C38B N13B C39B 106.8(9) .
C37B N13B Pd7 114.5(6) .
C38B N13B Pd7 112.0(6) .
C39B N13B Pd7 103.9(7) .
C40B N14B C41B 112.6(10) .
C40B N14B C42B 109.3(9) .
C41B N14B C42B 108.1(10) .
C40B N14B Pd7 105.0(7) .
C41B N14B Pd7 113.1(7) .
C42B N14B Pd7 108.7(8) .
C43B N15B C44B 109.8(8) .
C43B N15B C45B 109.6(7) .
C44B N15B C45B 108.4(8) .
C43B N15B Pd8 114.3(6) .
C44B N15B Pd8 108.2(6) .
C45B N15B Pd8 106.4(6) .
C47B N16B C46B 109.0(8) .
C47B N16B C48B 109.0(8) .
C46B N16B C48B 109.1(8) .
C47B N16B Pd8 115.6(7) .
C46B N16B Pd8 105.5(6) .
C48B N16B Pd8 108.5(6) .
C59B N17B C58B 114.4(11) .
C59B N17B C60B 111.4(11) .
C58B N17B C60B 104.5(10) .
C59B N17B Pd10 113.7(8) .
C58B N17B Pd10 103.7(9) .
C60B N17B Pd10 108.3(8) .
C56B N18B C55B 108.6(14) .
C56B N18B C57B 111.8(13) .
C55B N18B C57B 107.7(13) .
C56B N18B Pd10 112.9(9) .
C55B N18B Pd10 113.5(11) .
C57B N18B Pd10 102.2(9) .
C63B N19B C62B 93(2) .
C63B N19B C61B 121(3) .
C62B N19B C61B 112(2) .
C63B N19B Pd11 110(3) .
C62B N19B Pd11 117.6(17) .
C61B N19B Pd11 105(2) .
C66B N20B C64B 108(2) .
C66B N20B C65B 105.4(18) .
C64B N20B C65B 118.0(16) .
C66B N20B Pd11 107.2(12) .
C64B N20B Pd11 107.9(17) .
C65B N20B Pd11 110.3(13) .
C51B N21B C49B 107.6(13) .
C51B N21B C50B 109.5(12) .
C49B N21B C50B 103.2(13) .
C51B N21B Pd9 106.8(10) .
C49B N21B Pd9 111.2(10) .
C50B N21B Pd9 118.1(10) .
C53B N22B C54B 110.3(12) .
C53B N22B C52B 110.0(11) .
C54B N22B C52B 109.9(11) .
C53B N22B Pd9 110.4(9) .
C54B N22B Pd9 114.4(8) .
C52B N22B Pd9 101.4(9) .
C67B N23B C69B 110.9(13) .
C67B N23B C68B 106.3(15) .
C69B N23B C68B 107.7(15) .
C67B N23B Pd12 113.7(11) .
C69B N23B Pd12 107.2(11) .
C68B N23B Pd12 110.9(10) .
C72B N24B C71B 116.4(16) .
C72B N24B C70B 112.9(15) .
C71B N24B C70B 100.8(15) .
C72B N24B Pd12 112.9(12) .
C71B N24B Pd12 108.0(12) .
C70B N24B Pd12 104.5(10) .
O1N N1N O3N 112(2) .
O1N N1N O2N 125.2(18) .
O3N N1N O2N 121.2(19) .
O5N N2N O6N 129(2) .
O5N N2N O4N 119(2) .
O6N N2N O4N 111.2(18) .
O10N N4N O11N 122(4) .
O10N N4N O12N 89(4) .
O11N N4N O12N 135(4) .
N4N O10N O12N 50(3) .
N4N O12N O10N 41(2) .
O15N N5N O14N 123(4) .
O15N N5N O13N 119(3) .
O14N N5N O13N 117(3) .
N5N O13N O14N 133(2) 2_766
N5N O14N O13N 109(3) 2_766
O18N N6N O17N 127.7(19) .
O18N N6N O16N 128(3) .
O17N N6N O16N 101(2) .
O36N N12N O35N 99(5) .
O36N N12N O34N 79(4) .
O35N N12N O34N 74(4) .
O7N N3N O8N 112(3) .
O7N N3N O9N 138(3) .
O8N N3N O9N 106(3) .
O23N N8N O22N 134(4) .
O23N N8N O24N 115(4) .
O22N N8N O24N 110(3) .
O28N N10N O30N 124(5) .
O28N N10N O29N 144(4) .
O30N N10N O29N 90(4) .
O33N N11N O32N 84(3) .
O33N N11N O31N 108(4) .
O32N N11N O31N 168(5) .
N11N O32N O33N 46.9(16) .
N11N O33N O32N 49.1(16) .
O16M N6M O18M 121(3) .
O16M N6M O17M 123(4) .
O18M N6M O17M 114(4) .
O21M N7M O20M 115(3) .
O21M N7M O19M 93(3) .
O20M N7M O19M 150(3) .
N7M O19M O21M 38.6(15) .
N7M O21M O19M 48.0(19) .
O24M N8M O22M 77(4) .
O24M N8M O23M 136(5) .
O22M N8M O23M 144(4) .
N8M O22M O24M 51(2) .
N8M O24M O22M 52(3) .
C3H Ru1B C2H 87.3(16) .
C3H Ru1B C1H 77.3(17) .
C2H Ru1B C1H 95.1(7) .
C3H Ru1B C7H 105.0(15) .
C2H Ru1B C7H 117.8(14) .
C1H Ru1B C7H 147.1(14) .
C3H Ru1B C6H 127.2(18) .
C2H Ru1B C6H 87.8(12) .
C1H Ru1B C6H 155.4(19) .
C7H Ru1B C6H 36.6(5) .
C3H Ru1B C5H 163.2(17) .
C2H Ru1B C5H 93.3(12) .
C1H Ru1B C5H 119.3(18) .
C7H Ru1B C5H 60.0(5) .
C6H Ru1B C5H 36.1(5) .
C3H Ru1B C8H 114.7(15) .
C2H Ru1B C8H 147.5(12) .
C1H Ru1B C8H 112.3(13) .
C7H Ru1B C8H 36.2(5) .
C6H Ru1B C8H 60.0(5) .
C5H Ru1B C8H 58.7(5) .
C3H Ru1B C9H 146.9(16) .
C2H Ru1B C9H 125.7(12) .
C1H Ru1B C9H 100.3(16) .
C7H Ru1B C9H 59.5(6) .
C6H Ru1B C9H 59.3(5) .
C5H Ru1B C9H 34.7(5) .
C8H Ru1B C9H 35.1(4) .
C3H Ru1B Ru2B 95.1(9) .
C2H Ru1B Ru2B 51.2(5) .
C1H Ru1B Ru2B 48.2(6) .
C7H Ru1B Ru2B 157.0(14) .
C6H Ru1B Ru2B 121.0(14) .
C5H Ru1B Ru2B 98.3(12) .
C8H Ru1B Ru2B 140.9(10) .
C9H Ru1B Ru2B 107.9(10) .
C4H Ru2B C1H 85.8(10) .
C4H Ru2B C2H 81.5(8) .
C1H Ru2B C2H 90.6(8) .
C4H Ru2B C15H 93.8(13) .
C1H Ru2B C15H 157.6(14) .
C2H Ru2B C15H 111.5(13) .
C4H Ru2B C14H 127.5(15) .
C1H Ru2B C14H 146.3(16) .
C2H Ru2B C14H 98.7(12) .
C15H Ru2B C14H 37.0(5) .
C4H Ru2B C16H 91.9(12) .
C1H Ru2B C16H 120.6(14) .
C2H Ru2B C16H 147.7(13) .
C15H Ru2B C16H 37.0(5) .
C14H Ru2B C16H 60.7(5) .
C4H Ru2B C17H 122.1(11) .
C1H Ru2B C17H 100.5(14) .
C2H Ru2B C17H 154.3(10) .
C15H Ru2B C17H 60.9(5) .
C14H Ru2B C17H 59.8(5) .
C16H Ru2B C17H 35.9(5) .
C4H Ru2B C18H 150.9(12) .
C1H Ru2B C18H 112.5(15) .
C2H Ru2B C18H 119.0(10) .
C15H Ru2B C18H 60.5(5) .
C14H Ru2B C18H 35.6(5) .
C16H Ru2B C18H 59.5(6) .
C17H Ru2B C18H 35.3(4) .
C4H Ru2B Ru1B 96.5(7) .
C1H Ru2B Ru1B 48.3(6) .
C2H Ru2B Ru1B 46.4(4) .
C15H Ru2B Ru1B 153.2(14) .
C14H Ru2B Ru1B 121.5(12) .
C16H Ru2B Ru1B 165.1(11) .
C17H Ru2B Ru1B 130.2(9) .
C18H Ru2B Ru1B 112.7(10) .
O1H C1H Ru2B 133(3) .
O1H C1H Ru1B 132(2) .
Ru2B C1H Ru1B 83.5(7) .
O2H C2H Ru1B 148(2) .
O2H C2H Ru2B 127.9(19) .
Ru1B C2H Ru2B 82.3(5) .
O3H C3H Ru1B 151(5) .
O4H C4H Ru2B 158(4) .
C9H C5H C6H 109.0(11) .
C9H C5H Ru1B 74.7(10) .
C6H C5H Ru1B 70.0(7) .
C5H C6H C7H 107.4(11) .
C5H C6H Ru1B 73.9(8) .
C7H C6H Ru1B 71.7(8) .
C6H C7H C8H 107.9(11) .
C6H C7H Ru1B 71.7(8) .
C8H C7H Ru1B 75.3(10) .
C13H C8H C9H 119.5(10) .
C13H C8H C7H 133.3(15) .
C9H C8H C7H 107.2(10) .
C13H C8H Ru1B 123(3) .
C9H C8H Ru1B 73.0(10) .
C7H C8H Ru1B 68.6(9) .
C5H C9H C10H 130.9(15) .
C5H C9H C8H 108.4(11) .
C10H C9H C8H 120.5(11) .
C5H C9H Ru1B 70.7(9) .
C10H C9H Ru1B 126(3) .
C8H C9H Ru1B 71.8(10) .
C9H C10H C11H 119.7(11) .
C10H C11H C12H 119.7(11) .
C13H C12H C11H 119.4(12) .
C8H C13H C12H 119.4(11) .
C18H C14H C15H 108.5(11) .
C18H C14H Ru2B 75.4(10) .
C15H C14H Ru2B 69.3(7) .
C14H C15H C16H 107.4(11) .
C14H C15H Ru2B 73.8(8) .
C16H C15H Ru2B 73.9(8) .
C17H C16H C15H 108.2(10) .
C17H C16H Ru2B 74.6(10) .
C15H C16H Ru2B 69.1(7) .
C22H C17H C18H 119.5(10) .
C22H C17H C16H 132.2(15) .
C18H C17H C16H 107.5(11) .
C22H C17H Ru2B 131(3) .
C18H C17H Ru2B 72.8(10) .
C16H C17H Ru2B 69.5(9) .
C14H C18H C19H 131.9(15) .
C14H C18H C17H 108.3(11) .
C19H C18H C17H 119.6(10) .
C14H C18H Ru2B 69.1(9) .
C19H C18H Ru2B 128(3) .
C17H C18H Ru2B 72.0(10) .
C20H C19H C18H 120.0(10) .
C21H C20H C19H 119.9(11) .
C20H C21H C22H 119.2(12) .
C17H C22H C21H 119.2(12) .
C3I Ru1C C1I 97.9(13) .
C3I Ru1C C2I 81.2(15) .
C1I Ru1C C2I 88.4(7) .
C3I Ru1C C6I 112.9(13) .
C1I Ru1C C6I 149.2(10) .
C2I Ru1C C6I 97.1(9) .
C3I Ru1C C5I 92.9(13) .
C1I Ru1C C5I 144.5(8) .
C2I Ru1C C5I 126.7(8) .
C6I Ru1C C5I 37.4(5) .
C3I Ru1C C7I 150.1(13) .
C1I Ru1C C7I 112.0(9) .
C2I Ru1C C7I 100.2(10) .
C6I Ru1C C7I 37.2(5) .
C5I Ru1C C7I 62.0(5) .
C3I Ru1C C8I 145.3(13) .
C1I Ru1C C8I 92.9(8) .
C2I Ru1C C8I 132.1(10) .
C6I Ru1C C8I 61.1(5) .
C5I Ru1C C8I 61.1(5) .
C7I Ru1C C8I 36.2(4) .
C3I Ru1C C9I 110.1(13) .
C1I Ru1C C9I 108.2(7) .
C2I Ru1C C9I 157.7(10) .
C6I Ru1C C9I 61.0(5) .
C5I Ru1C C9I 36.8(5) .
C7I Ru1C C9I 60.3(5) .
C8I Ru1C C9I 35.5(3) .
C3I Ru1C Ru2C 100.2(12) .
C1I Ru1C Ru2C 44.9(4) .
C2I Ru1C Ru2C 45.7(5) .
C6I Ru1C Ru2C 125.5(7) .
C5I Ru1C Ru2C 162.6(7) .
C7I Ru1C Ru2C 101.8(6) .
C8I Ru1C Ru2C 110.5(5) .
C9I Ru1C Ru2C 142.9(5) .
C4I Ru2C C1I 89.4(16) .
C4I Ru2C C2I 70.8(15) .
C1I Ru2C C2I 89.0(7) .
C4I Ru2C C16I 99.7(16) .
C1I Ru2C C16I 147.0(10) .
C2I Ru2C C16I 124.0(10) .
C4I Ru2C C15I 118.8(18) .
C1I Ru2C C15I 151.8(13) .
C2I Ru2C C15I 98.3(10) .
C16I Ru2C C15I 36.9(5) .
C4I Ru2C C17I 114.3(15) .
C1I Ru2C C17I 111.1(8) .
C2I Ru2C C17I 158.9(10) .
C16I Ru2C C17I 36.4(5) .
C15I Ru2C C17I 60.9(5) .
C4I Ru2C C14I 154.9(18) .
C1I Ru2C C14I 115.7(12) .
C2I Ru2C C14I 106.8(12) .
C16I Ru2C C14I 60.0(5) .
C15I Ru2C C14I 36.1(5) .
C17I Ru2C C14I 59.4(5) .
C4I Ru2C C18I 149.1(14) .
C1I Ru2C C18I 96.8(10) .
C2I Ru2C C18I 139.2(11) .
C16I Ru2C C18I 60.1(5) .
C15I Ru2C C18I 60.3(5) .
C17I Ru2C C18I 35.7(4) .
C14I Ru2C C18I 35.3(5) .
C4I Ru2C Ru1C 87.1(14) .
C1I Ru2C Ru1C 45.1(4) .
C2I Ru2C Ru1C 46.0(5) .
C16I Ru2C Ru1C 165.3(10) .
C15I Ru2C Ru1C 128.5(10) .
C17I Ru2C Ru1C 149.9(6) .
C14I Ru2C Ru1C 109.5(9) .
C18I Ru2C Ru1C 118.4(7) .
O1I C1I Ru2C 138.1(14) .
O1I C1I Ru1C 131.9(14) .
Ru2C C1I Ru1C 90.0(6) .
O2I C2I Ru2C 129.0(19) .
O2I C2I Ru1C 132.7(19) .
Ru2C C2I Ru1C 88.3(6) .
O3I C3I Ru1C 157(3) .
O4I C4I Ru2C 157(4) .
C6I C5I C9I 107.0(10) .
C6I C5I Ru1C 70.3(6) .
C9I C5I Ru1C 75.1(9) .
C7I C6I C5I 108.5(10) .
C7I C6I Ru1C 73.1(7) .
C5I C6I Ru1C 72.2(7) .
C8I C7I C6I 107.9(10) .
C8I C7I Ru1C 74.1(8) .
C6I C7I Ru1C 69.7(6) .
C9I C8I C7I 108.4(10) .
C9I C8I C13I 120.0(10) .
C7I C8I C13I 131.6(13) .
C9I C8I Ru1C 72.8(9) .
C7I C8I Ru1C 69.7(8) .
C13I C8I Ru1C 122.7(18) .
C10I C9I C8I 120.0(10) .
C10I C9I C5I 131.2(14) .
C8I C9I C5I 108.2(10) .
C10I C9I Ru1C 119(2) .
C8I C9I Ru1C 71.7(9) .
C5I C9I Ru1C 68.1(8) .
C9I C10I C11I 119.3(10) .
C12I C11I C10I 121.4(11) .
C11I C12I C13I 118.9(10) .
C8I C13I C12I 119.5(10) .
C18I C14I C15I 109.7(11) .
C18I C14I Ru2C 73.6(9) .
C15I C14I Ru2C 70.0(7) .
C14I C15I C16I 106.7(11) .
C14I C15I Ru2C 73.8(7) .
C16I C15I Ru2C 71.3(7) .
C17I C16I C15I 108.3(10) .
C17I C16I Ru2C 73.7(9) .
C15I C16I Ru2C 71.8(7) .
C22I C17I C18I 120.4(10) .
C22I C17I C16I 131.6(15) .
C18I C17I C16I 107.9(10) .
C22I C17I Ru2C 120(2) .
C18I C17I Ru2C 73.6(10) .
C16I C17I Ru2C 69.9(9) .
C14I C18I C17I 107.4(10) .
C14I C18I C19I 133.6(15) .
C17I C18I C19I 119.0(10) .
C14I C18I Ru2C 71.1(9) .
C17I C18I Ru2C 70.7(10) .
C19I C18I Ru2C 124(2) .
C20I C19I C18I 120.8(11) .
C19I C20I C21I 120.5(11) .
C20I C21I C22I 119.3(10) .
C17I C22I C21I 119.4(11) .
C25G Ru3A C24G 94.2(16) .
C25G Ru3A C23G 86.8(13) .
C24G Ru3A C23G 95.2(7) .
C25G Ru3A C31G 111.5(12) .
C24G Ru3A C31G 106.3(10) .
C23G Ru3A C31G 150.0(10) .
C25G Ru3A C30G 145.0(12) .
C24G Ru3A C30G 107.8(13) .
C23G Ru3A C30G 116.9(10) .
C31G Ru3A C30G 36.8(4) .
C25G Ru3A C27G 86.4(12) .
C24G Ru3A C27G 135.5(10) .
C23G Ru3A C27G 129.1(9) .
C31G Ru3A C27G 35.8(5) .
C30G Ru3A C27G 58.8(6) .
C25G Ru3A C29G 128.8(12) .
C24G Ru3A C29G 136.9(14) .
C23G Ru3A C29G 91.3(10) .
C31G Ru3A C29G 58.7(6) .
C30G Ru3A C29G 34.7(5) .
C27G Ru3A C29G 56.5(5) .
C25G Ru3A C28G 96.5(12) .
C24G Ru3A C28G 163.4(11) .
C23G Ru3A C28G 98.1(9) .
C31G Ru3A C28G 57.7(6) .
C30G Ru3A C28G 57.0(5) .
C27G Ru3A C28G 33.3(5) .
C29G Ru3A C28G 33.2(5) .
C25G Ru3A Ru4A 99.8(10) .
C24G Ru3A Ru4A 48.5(5) .
C23G Ru3A Ru4A 48.1(4) .
C31G Ru3A Ru4A 142.0(6) .
C30G Ru3A Ru4A 115.2(6) .
C27G Ru3A Ru4A 172.7(7) .
C29G Ru3A Ru4A 116.3(7) .
C28G Ru3A Ru4A 140.9(8) .
C26G Ru4A C23G 85.6(15) .
C26G Ru4A C24G 90.1(17) .
C23G Ru4A C24G 96.1(7) .
C26G Ru4A C36G 96.7(14) .
C23G Ru4A C36G 125.1(8) .
C24G Ru4A C36G 138.5(8) .
C26G Ru4A C40G 110.6(14) .
C23G Ru4A C40G 155.4(8) .
C24G Ru4A C40G 102.0(8) .
C36G Ru4A C40G 37.6(5) .
C26G Ru4A C37G 118.6(14) .
C23G Ru4A C37G 94.7(8) .
C24G Ru4A C37G 150.0(13) .
C36G Ru4A C37G 37.2(5) .
C40G Ru4A C37G 61.5(5) .
C26G Ru4A C39G 146.1(13) .
C23G Ru4A C39G 127.7(9) .
C24G Ru4A C39G 91.9(11) .
C36G Ru4A C39G 60.9(6) .
C40G Ru4A C39G 36.2(4) .
C37G Ru4A C39G 59.7(5) .
C26G Ru4A C38G 153.6(14) .
C23G Ru4A C38G 97.8(9) .
C24G Ru4A C38G 115.3(13) .
C36G Ru4A C38G 59.9(5) .
C40G Ru4A C38G 59.4(5) .
C37G Ru4A C38G 35.3(5) .
C39G Ru4A C38G 34.7(4) .
C26G Ru4A Ru3A 96.1(13) .
C23G Ru4A Ru3A 49.7(5) .
C24G Ru4A Ru3A 47.8(5) .
C36G Ru4A Ru3A 165.6(6) .
C40G Ru4A Ru3A 140.5(5) .
C37G Ru4A Ru3A 129.3(6) .
C39G Ru4A Ru3A 110.1(5) .
C38G Ru4A Ru3A 106.0(5) .
O23G C23G Ru4A 139.4(18) .
O23G C23G Ru3A 134.3(19) .
Ru4A C23G Ru3A 82.3(6) .
O24G C24G Ru3A 140(2) .
O24G C24G Ru4A 135.7(19) .
Ru3A C24G Ru4A 83.7(6) .
O25G C25G Ru3A 175(3) .
O26G C26G Ru4A 165(5) .
C28G C27G C31G 108.4(11) .
C28G C27G Ru3A 78.8(10) .
C31G C27G Ru3A 64.9(15) .
C27G C28G C29G 108.1(11) .
C27G C28G Ru3A 67.9(10) .
C29G C28G Ru3A 71.7(10) .
C28G C29G C30G 107.5(10) .
C28G C29G Ru3A 75.1(10) .
C30G C29G Ru3A 65.9(13) .
C35G C30G C31G 120.5(10) .
C35G C30G C29G 131.6(14) .
C31G C30G C29G 107.7(10) .
C35G C30G Ru3A 121(2) .
C31G C30G Ru3A 67.6(16) .
C29G C30G Ru3A 79.5(14) .
C32G C31G C27G 131.6(15) .
C32G C31G C30G 119.8(10) .
C27G C31G C30G 108.2(10) .
C32G C31G Ru3A 117(2) .
C27G C31G Ru3A 79.3(16) .
C30G C31G Ru3A 75.6(16) .
C31G C32G C33G 118.9(11) .
C34G C33G C32G 119.4(12) .
C33G C34G C35G 119.4(11) .
C30G C35G C34G 120.0(10) .
C40G C36G C37G 108.8(10) .
C40G C36G Ru4A 73.2(12) .
C37G C36G Ru4A 76.3(8) .
C38G C37G C36G 106.7(10) .
C38G C37G Ru4A 76.4(8) .
C36G C37G Ru4A 66.5(8) .
C39G C38G C37G 109.2(10) .
C39G C38G Ru4A 71.3(11) .
C37G C38G Ru4A 68.3(8) .
C38G C39G C40G 107.2(9) .
C38G C39G C44G 133.8(12) .
C40G C39G C44G 119.0(9) .
C38G C39G Ru4A 74.1(11) .
C40G C39G Ru4A 66.4(12) .
C44G C39G Ru4A 123.7(16) .
C41G C40G C36G 132.0(13) .
C41G C40G C39G 119.6(10) .
C36G C40G C39G 108.1(10) .
C41G C40G Ru4A 123.8(18) .
C36G C40G Ru4A 69.2(12) .
C39G C40G Ru4A 77.4(12) .
C40G C41G C42G 120.2(10) .
C43G C42G C41G 119.5(11) .
C42G C43G C44G 120.4(11) .
C43G C44G C39G 119.5(10) .
C25H Ru3B C24H 84.9(15) .
C25H Ru3B C27H 99.5(14) .
C24H Ru3B C27H 130.9(9) .
C25H Ru3B C23H 87.6(18) .
C24H Ru3B C23H 89.4(7) .
C27H Ru3B C23H 139.3(9) .
C25H Ru3B C28H 116.4(14) .
C24H Ru3B C28H 156.7(11) .
C27H Ru3B C28H 41.0(6) .
C23H Ru3B C28H 100.2(10) .
C25H Ru3B C31H 119.9(13) .
C24H Ru3B C31H 97.8(9) .
C27H Ru3B C31H 38.1(6) .
C23H Ru3B C31H 151.9(14) .
C28H Ru3B C31H 64.2(7) .
C25H Ru3B C29H 152.6(13) .
C24H Ru3B C29H 122.5(12) .
C27H Ru3B C29H 63.3(6) .
C23H Ru3B C29H 92.9(13) .
C28H Ru3B C29H 36.6(6) .
C31H Ru3B C29H 60.4(6) .
C25H Ru3B C30H 155.2(13) .
C24H Ru3B C30H 95.5(11) .
C27H Ru3B C30H 61.8(7) .
C23H Ru3B C30H 117.2(14) .
C28H Ru3B C30H 61.2(7) .
C31H Ru3B C30H 35.4(4) .
C29H Ru3B C30H 35.2(5) .
C25H Ru3B Ru4B 90.5(12) .
C24H Ru3B Ru4B 45.2(5) .
C27H Ru3B Ru4B 169.1(6) .
C23H Ru3B Ru4B 44.8(5) .
C28H Ru3B Ru4B 136.7(7) .
C31H Ru3B Ru4B 132.0(5) .
C29H Ru3B Ru4B 108.9(6) .
C30H Ru3B Ru4B 107.3(6) .
C26H Ru4B C23H 85.1(18) .
C26H Ru4B C24H 93.5(16) .
C23H Ru4B C24H 90.5(7) .
C26H Ru4B C36H 99.1(13) .
C23H Ru4B C36H 121.9(8) .
C24H Ru4B C36H 146.0(8) .
C26H Ru4B C40H 108.0(13) .
C23H Ru4B C40H 154.4(11) .
C24H Ru4B C40H 110.0(8) .
C36H Ru4B C40H 36.0(5) .
C26H Ru4B C37H 122.9(14) .
C23H Ru4B C37H 94.9(11) .
C24H Ru4B C37H 143.5(12) .
C36H Ru4B C37H 35.7(5) .
C40H Ru4B C37H 59.5(6) .
C26H Ru4B C38H 157.2(14) .
C23H Ru4B C38H 100.9(14) .
C24H Ru4B C38H 108.3(11) .
C36H Ru4B C38H 59.0(5) .
C40H Ru4B C38H 58.8(6) .
C37H Ru4B C38H 35.3(5) .
C26H Ru4B C39H 141.2(12) .
C23H Ru4B C39H 133.3(14) .
C24H Ru4B C39H 92.0(10) .
C36H Ru4B C39H 59.1(6) .
C40H Ru4B C39H 35.2(4) .
C37H Ru4B C39H 58.8(6) .
C38H Ru4B C39H 35.0(5) .
C26H Ru4B Ru3B 95.0(12) .
C23H Ru4B Ru3B 46.5(5) .
C24H Ru4B Ru3B 44.6(5) .
C36H Ru4B Ru3B 160.9(6) .
C40H Ru4B Ru3B 147.7(5) .
C37H Ru4B Ru3B 125.2(6) .
C38H Ru4B Ru3B 105.1(5) .
C39H Ru4B Ru3B 115.2(6) .
O23H C23H Ru4B 132.0(18) .
O23H C23H Ru3B 136.1(19) .
Ru4B C23H Ru3B 88.7(6) .
O24H C24H Ru3B 138.1(15) .
O24H C24H Ru4B 129.1(15) .
Ru3B C24H Ru4B 90.2(6) .
O25H C25H Ru3B 156(4) .
O26H C26H Ru4B 177(3) .
C31H C27H C28H 107.9(10) .
C31H C27H Ru3B 79.5(14) .
C28H C27H Ru3B 71.8(10) .
C29H C28H C27H 107.9(11) .
C29H C28H Ru3B 81.8(10) .
C27H C28H Ru3B 67.1(10) .
C28H C29H C30H 108.1(10) .
C28H C29H Ru3B 61.6(9) .
C30H C29H Ru3B 75.0(14) .
C35H C30H C31H 119.1(10) .
C35H C30H C29H 133.4(13) .
C31H C30H C29H 107.4(10) .
C35H C30H Ru3B 131(2) .
C31H C30H Ru3B 65.8(14) .
C29H C30H Ru3B 69.8(13) .
C27H C31H C32H 130.5(13) .
C27H C31H C30H 108.7(10) .
C32H C31H C30H 120.8(10) .
C27H C31H Ru3B 62.4(13) .
C32H C31H Ru3B 127(2) .
C30H C31H Ru3B 78.8(16) .
C31H C32H C33H 120.8(10) .
C32H C33H C34H 118.0(10) .
C35H C34H C33H 120.4(11) .
C34H C35H C30H 120.2(10) .
C37H C36H C40H 107.9(10) .
C37H C36H Ru4B 73.1(9) .
C40H C36H Ru4B 72.2(13) .
C38H C37H C36H 107.7(11) .
C38H C37H Ru4B 73.4(9) .
C36H C37H Ru4B 71.1(9) .
C37H C38H C39H 108.6(10) .
C37H C38H Ru4B 71.3(9) .
C39H C38H Ru4B 73.3(14) .
C40H C39H C38H 107.3(10) .
C40H C39H C44H 119.3(9) .
C38H C39H C44H 133.4(13) .
C40H C39H Ru4B 69.7(15) .
C38H C39H Ru4B 71.7(13) .
C44H C39H Ru4B 122(2) .
C41H C40H C39H 123.7(9) .
C41H C40H C36H 127.8(13) .
C39H C40H C36H 108.5(10) .
C41H C40H Ru4B 119(2) .
C39H C40H Ru4B 75.1(15) .
C36H C40H Ru4B 71.8(13) .
C40H C41H C42H 115.4(9) .
C43H C42H C41H 122.4(9) .
C44H C43H C42H 117.2(9) .
C43H C44H C39H 122.0(9) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N1A 2.034(7) .
Pd1 N7A 2.039(7) .
Pd1 N1B 2.057(7) .
Pd1 N2B 2.062(7) .
Pd2 N37A 2.024(6) .
Pd2 N8A 2.041(7) .
Pd2 N4B 2.055(7) .
Pd2 N3B 2.075(7) .
Pd3 N38A 2.020(8) .
Pd3 N6B 2.031(7) .
Pd3 N3A 2.032(6) .
Pd3 N5B 2.052(8) .
Pd4 N9A 2.039(6) .
Pd4 N19A 2.049(7) .
Pd4 N8B 2.077(8) .
Pd4 N7B 2.079(8) .
Pd5 N20A 2.032(7) .
Pd5 N2A 2.042(6) .
Pd5 N9B 2.053(7) .
Pd5 N10B 2.060(8) .
Pd6 N11B 2.018(9) .
Pd6 N21A 2.037(7) .
Pd6 N15A 2.041(7) .
Pd6 N12B 2.071(9) .
Pd7 N43A 2.033(7) .
Pd7 N13A 2.034(6) .
Pd7 N14B 2.055(8) .
Pd7 N13B 2.058(7) .
Pd8 N14A 2.038(6) .
Pd8 N25A 2.044(7) .
Pd8 N15B 2.050(7) .
Pd8 N16B 2.057(7) .
Pd9 N31A 2.021(9) .
Pd9 N39A 2.032(7) .
Pd9 N21B 2.046(10) .
Pd9 N22B 2.062(10) .
Pd10 N26A 2.020(8) .
Pd10 N32A 2.032(9) .
Pd10 N17B 2.054(10) .
Pd10 N18B 2.067(11) .
Pd11 N44A 1.986(9) .
Pd11 N19B 2.030(19) .
Pd11 N33A 2.062(11) .
Pd11 N20B 2.074(11) .
Pd12 N45A 2.021(9) .
Pd12 N27A 2.031(7) .
Pd12 N23B 2.036(12) .
Pd12 N24B 2.082(11) .
C1A N1A 1.340(10) .
C1A C2A 1.413(11) .
C2A C3A 1.387(11) .
C3A C4A 1.368(11) .
C3A C16A 1.480(10) .
C4A C5A 1.376(11) .
C5A N1A 1.326(10) .
C6A N2A 1.339(9) .
C6A C7A 1.396(10) .
C7A C8A 1.385(10) .
C8A C9A 1.374(11) .
C8A C17A 1.499(10) .
C9A C10A 1.376(11) .
C10A N2A 1.356(10) .
C11A N3A 1.324(11) .
C11A C12A 1.435(12) .
C12A C13A 1.388(11) .
C13A C14A 1.381(12) .
C13A C18A 1.469(11) .
C14A C15A 1.398(12) .
C15A N3A 1.337(10) .
C16A N6A 1.318(9) .
C16A N4A 1.370(9) .
C17A N4A 1.304(9) .
C17A N5A 1.328(10) .
C18A N5A 1.348(10) .
C18A N6A 1.352(10) .
C19A N7A 1.348(11) .
C19A C20A 1.379(12) .
C20A C21A 1.370(12) .
C21A C22A 1.361(12) .
C21A C34A 1.483(11) .
C22A C23A 1.394(12) .
C23A N7A 1.314(10) .
C24A N8A 1.333(10) .
C24A C25A 1.407(12) .
C25A C26A 1.375(12) .
C26A C27A 1.390(12) .
C26A C35A 1.470(11) .
C27A C28A 1.394(12) .
C28A N8A 1.343(11) .
C29A N9A 1.315(11) .
C29A C30A 1.367(13) .
C30A C31A 1.371(12) .
C31A C32A 1.389(12) .
C31A C36A 1.464(12) .
C32A C33A 1.397(13) .
C33A N9A 1.315(11) .
C34A N12A 1.328(11) .
C34A N10A 1.337(10) .
C35A N11A 1.312(10) .
C35A N10A 1.362(11) .
C36A N11A 1.335(10) .
C36A N12A 1.359(11) .
C37A N37A 1.324(10) .
C37A C38A 1.370(12) .
C38A C39A 1.403(12) .
C39A C40A 1.392(11) .
C39A C52A 1.448(12) .
C40A C41A 1.378(11) .
C41A N37A 1.344(10) .
C42A C43A 1.366(13) .
C42A N38A 1.379(11) .
C43A C44A 1.415(13) .
C44A C53A 1.409(13) .
C44A C45A 1.445(13) .
C45A C46A 1.324(14) .
C46A N38A 1.350(11) .
C47A N15A 1.314(13) .
C47A C48A 1.415(14) .
C48A C49A 1.405(14) .
C49A C50A 1.390(14) .
C49A C54A 1.504(12) .
C50A C51A 1.359(12) .
C51A N15A 1.353(12) .
C52A N42A 1.352(11) .
C52A N40A 1.363(12) .
C53A N40A 1.319(11) .
C53A N41A 1.360(12) .
C54A N42A 1.300(11) .
C54A N41A 1.356(12) .
C55A N19A 1.323(10) .
C55A C56A 1.348(12) .
C56A C57A 1.388(12) .
C57A C58A 1.358(12) .
C57A C70A 1.512(11) .
C58A C59A 1.375(12) .
C59A N19A 1.321(11) .
C60A N20A 1.307(10) .
C60A C61A 1.373(12) .
C61A C62A 1.374(12) .
C62A C63A 1.364(12) .
C62A C71A 1.497(12) .
C63A C64A 1.373(12) .
C64A N20A 1.362(10) .
C65A N21A 1.335(12) .
C65A C66A 1.400(13) .
C66A C67A 1.389(13) .
C67A C68A 1.386(13) .
C67A C72A 1.523(12) .
C68A C69A 1.371(12) .
C69A N21A 1.333(12) .
C70A N24A 1.322(10) .
C70A N22A 1.344(10) .
C71A N23A 1.326(11) .
C71A N22A 1.337(11) .
C72A N24A 1.305(11) .
C72A N23A 1.336(11) .
C73A N13A 1.346(10) .
C73A C74A 1.385(12) .
C74A C75A 1.397(11) .
C75A C76A 1.393(12) .
C75A C88A 1.484(11) .
C76A C77A 1.370(11) .
C77A N13A 1.340(10) .
C78A N14A 1.352(10) .
C78A C79A 1.400(11) .
C79A C80A 1.377(11) .
C80A C81A 1.381(12) .
C80A C89A 1.497(11) .
C81A C82A 1.358(12) .
C82A N14A 1.317(11) .
C83A N39A 1.317(11) .
C83A C84A 1.377(12) .
C84A C85A 1.370(12) .
C85A C86A 1.355(12) .
C85A C90A 1.486(12) .
C86A C87A 1.415(13) .
C87A N39A 1.346(11) .
C88A N16A 1.321(10) .
C88A N18A 1.344(10) .
C89A N17A 1.315(10) .
C89A N16A 1.369(10) .
C90A N18A 1.337(11) .
C90A N17A 1.339(10) .
C91A N43A 1.345(10) .
C91A C92A 1.394(13) .
C92A C93A 1.368(13) .
C93A C94A 1.374(13) .
C93A C106 1.487(13) .
C94A C95A 1.384(13) .
C95A N43A 1.326(11) .
C96A C97A 1.372(17) .
C96A N44A 1.374(15) .
C97A C98A 1.350(16) .
C98A C99A 1.375(15) .
C98A C107 1.467(16) .
C99A C100 1.461(18) .
C100 N44A 1.302(16) .
C101 N45A 1.353(16) .
C101 C102 1.360(17) .
C102 C103 1.347(14) .
C103 C104 1.411(17) .
C103 C108 1.465(16) .
C104 C105 1.394(16) .
C105 N45A 1.308(13) .
C106 N46A 1.315(13) .
C106 N48A 1.333(13) .
C107 N47A 1.335(14) .
C107 N46A 1.355(13) .
C108 N47A 1.335(14) .
C108 N48A 1.372(14) .
C109 N25A 1.329(11) .
C109 C110 1.343(13) .
C110 C111 1.394(13) .
C111 C112 1.413(12) .
C111 C124 1.455(13) .
C112 C113 1.369(13) .
C113 N25A 1.375(12) .
C114 N26A 1.342(12) .
C114 C115 1.357(13) .
C115 C116 1.380(13) .
C116 C117 1.400(13) .
C116 C125 1.461(13) .
C117 C118 1.362(13) .
C118 N26A 1.359(11) .
C119 N27A 1.343(13) .
C119 C120 1.420(14) .
C120 C121 1.326(14) .
C121 C122 1.414(13) .
C121 C126 1.511(13) .
C122 C123 1.402(13) .
C123 N27A 1.297(12) .
C124 N30A 1.333(11) .
C124 N28A 1.353(12) .
C125 N29A 1.330(12) .
C125 N28A 1.342(12) .
C126 N30A 1.317(12) .
C126 N29A 1.333(12) .
C127 N31A 1.334(14) .
C127 C128 1.408(16) .
C128 C129 1.388(13) .
C129 C130 1.382(15) .
C129 C142 1.463(15) .
C130 C131 1.365(15) .
C131 N31A 1.335(12) .
C132 N33A 1.340(15) .
C132 C133 1.357(16) .
C133 C134 1.407(16) .
C134 C135 1.396(15) .
C134 C143 1.461(15) .
C135 C136 1.392(17) .
C136 N33A 1.293(15) .
C137 N32A 1.326(13) .
C137 C138 1.406(15) .
C138 C139 1.370(15) .
C139 C140 1.395(14) .
C139 C144 1.471(15) .
C140 C141 1.403(15) .
C141 N32A 1.341(13) .
C142 N36A 1.346(14) .
C142 N34A 1.373(14) .
C143 N36A 1.316(13) .
C143 N35A 1.355(13) .
C144 N35A 1.306(14) .
C144 N34A 1.375(14) .
C1BC N1B 1.441(17) .
C2BB N1B 1.420(16) .
C3BB C4BB 1.400(19) .
C3BB N1B 1.516(18) .
C4BB N2B 1.451(14) .
C5BB N2B 1.392(17) .
C6BB N2B 1.391(17) .
C7BA N4B 1.41(3) .
C8BA N4B 1.56(2) .
C9BA N4B 1.44(3) .
C9BA C10B 1.47(4) .
C10B N3B 1.39(3) .
C11B N3B 1.40(4) .
C12B N3B 1.52(2) .
C7C N4B 1.60(3) .
C8C N4B 1.30(4) .
C9C N4B 1.48(3) .
C9C C10C 1.65(4) .
C10C N3B 1.63(3) .
C11C N3B 1.47(3) .
C12C N3B 1.44(2) .
C13B N6B 1.488(11) .
C14B N6B 1.502(13) .
C15B N6B 1.483(12) .
C15B C16B 1.496(14) .
C16B N5B 1.522(13) .
C17B N5B 1.445(12) .
C18B N5B 1.468(13) .
C19B N7B 1.52(2) .
C20B N7B 1.41(2) .
C21B C22B 1.50(3) .
C21B N7B 1.58(2) .
C22B N8B 1.540(19) .
C23C N8B 1.48(2) .
C24B N8B 1.49(3) .
C19C N7B 1.39(3) .
C20C N7B 1.48(3) .
C21C C22C 1.48(4) .
C21C N7B 1.52(2) .
C22C N8B 1.54(3) .
C23B N8B 1.47(2) .
C24C N8B 1.42(3) .
C25B N9B 1.475(15) .
C26B N9B 1.522(15) .
C27B N9B 1.469(16) .
C27B C28B 1.54(2) .
C28B N10B 1.522(18) .
C29B N10B 1.436(18) .
C30B N10B 1.482(18) .
C25C N9B 1.46(4) .
C26C N9B 1.50(3) .
C27C C28C 1.61(6) .
C27C N9B 1.63(4) .
C28C N10B 1.42(4) .
C29C N10B 1.78(4) .
C30C N10B 1.56(4) .
C31B N11B 1.45(2) .
C32B N11B 1.91(3) .
C33B N11B 1.502(15) .
C33B C34B 1.524(19) .
C34B N12B 1.42(2) .
C35B N12B 1.42(2) .
C36B N12B 1.68(4) .
C31C N11B 1.36(2) .
C31C C32C 2.02(4) .
C32C N11B 1.30(3) .
C33C C34C 1.32(3) .
C33C N11B 1.59(3) .
C34C N12B 1.63(2) .
C35C N12B 1.79(3) .
C36C N12B 1.15(4) .
C37B N13B 1.432(13) .
C38B N13B 1.465(13) .
C39B C40B 1.280(17) .
C39B N13B 1.537(15) .
C40B N14B 1.471(15) .
C41B N14B 1.472(15) .
C42B N14B 1.486(16) .
C43B N15B 1.455(12) .
C44B N15B 1.489(12) .
C45B C46B 1.475(14) .
C45B N15B 1.496(12) .
C46B N16B 1.496(12) .
C47B N16B 1.461(14) .
C48B N16B 1.507(13) .
C49B N21B 1.46(2) .
C50B N21B 1.50(2) .
C51B C52B 1.41(2) .
C51B N21B 1.456(19) .
C52B N22B 1.519(18) .
C53B N22B 1.422(18) .
C54B N22B 1.466(16) .
C55B N18B 1.44(2) .
C56B N18B 1.383(17) .
C57B C58B 1.37(2) .
C57B N18B 1.481(18) .
C58B N17B 1.520(17) .
C59B N17B 1.457(17) .
C60B N17B 1.558(18) .
C61B N19B 1.49(3) .
C62B N19B 1.48(3) .
C63B N19B 1.35(4) .
C63B C64B 1.493(19) .
C64B N20B 1.441(17) .
C65B N20B 1.460(15) .
C66B N20B 1.434(15) .
C67B N23B 1.449(19) .
C68B N23B 1.64(3) .
C69B C70B 1.27(2) .
C69B N23B 1.53(2) .
C70B N24B 1.49(2) .
C71B N24B 1.42(2) .
C72B N24B 1.35(2) .
N1N O1N 1.121(16) .
N1N O3N 1.25(2) .
N1N O2N 1.308(17) .
N2N O5N 0.949(17) .
N2N O6N 1.30(2) .
N2N O4N 1.43(2) .
N4N O10N 1.20(5) .
N4N O11N 1.31(4) .
N4N O12N 1.39(5) .
O10N O12N 1.82(6) .
N5N O15N 1.01(3) .
N5N O14N 1.21(3) .
N5N O13N 1.36(3) .
O13N O14N 1.47(3) 2_766
O14N O13N 1.47(3) 2_766
N6N O18N 1.22(2) .
N6N O17N 1.25(2) .
N6N O16N 1.32(3) .
N12N O36N 1.39(7) .
N12N O35N 1.55(7) .
N12N O34N 1.77(7) .
N3N O7N 1.13(3) .
N3N O8N 1.42(4) .
N3N O9N 1.77(5) .
N8N O23N 1.06(4) .
N8N O22N 1.37(4) .
N8N O24N 1.50(4) .
N10N O28N 1.25(5) .
N10N O30N 1.31(6) .
N10N O29N 1.71(6) .
N11N O33N 1.277(19) .
N11N O32N 1.323(18) .
N11N O31N 1.324(18) .
O32N O33N 1.74(5) .
N6M O16M 1.19(3) .
N6M O18M 1.22(3) .
N6M O17M 1.253(19) .
N7M O21M 1.07(3) .
N7M O20M 1.18(3) .
N7M O19M 1.27(4) .
O19M O21M 1.71(4) .
N8M O24M 0.91(4) .
N8M O22M 0.92(3) .
N8M O23M 1.33(4) .
O22M O24M 1.14(4) .
Ru1B C3H 1.890(19) .
Ru1B C2H 1.946(15) .
Ru1B C1H 2.000(19) .
Ru1B C7H 2.263(17) .
Ru1B C6H 2.264(16) .
Ru1B C5H 2.316(17) .
Ru1B C8H 2.351(19) .
Ru1B C9H 2.367(19) .
Ru1B Ru2B 2.662(6) .
Ru2B C4H 1.860(16) .
Ru2B C1H 2.00(2) .
Ru2B C2H 2.095(15) .
Ru2B C15H 2.214(16) .
Ru2B C14H 2.273(17) .
Ru2B C16H 2.277(17) .
Ru2B C17H 2.344(18) .
Ru2B C18H 2.354(19) .
C1H O1H 1.195(18) .
C2H O2H 1.162(15) .
C3H O3H 1.179(19) .
C4H O4H 1.166(18) .
C5H C9H 1.396(17) .
C5H C6H 1.420(17) .
C6H C7H 1.421(17) .
C7H C8H 1.434(17) .
C8H C13H 1.417(16) .
C8H C9H 1.424(12) .
C9H C10H 1.407(16) .
C10H C11H 1.419(16) .
C11H C12H 1.426(16) .
C12H C13H 1.419(16) .
C14H C18H 1.416(17) .
C14H C15H 1.423(17) .
C15H C16H 1.428(17) .
C16H C17H 1.427(17) .
C17H C22H 1.414(16) .
C17H C18H 1.423(12) .
C18H C19H 1.421(16) .
C19H C20H 1.417(16) .
C20H C21H 1.407(16) .
C21H C22H 1.426(16) .
Ru1C C3I 1.866(16) .
Ru1C C1I 2.001(15) .
Ru1C C2I 2.036(17) .
Ru1C C6I 2.209(13) .
Ru1C C5I 2.234(15) .
Ru1C C7I 2.254(15) .
Ru1C C8I 2.312(16) .
Ru1C C9I 2.325(17) .
Ru1C Ru2C 2.827(3) .
Ru2C C4I 1.842(17) .
Ru2C C1I 1.996(15) .
Ru2C C2I 2.023(17) .
Ru2C C16I 2.252(16) .
Ru2C C15I 2.258(15) .
Ru2C C17I 2.302(18) .
Ru2C C14I 2.307(16) .
Ru2C C18I 2.339(17) .
C1I O1I 1.140(14) .
C2I O2I 1.215(16) .
C3I O3I 1.164(16) .
C4I O4I 1.176(17) .
C5I C6I 1.426(17) .
C5I C9I 1.440(16) .
C6I C7I 1.424(16) .
C7I C8I 1.421(16) .
C8I C9I 1.415(11) .
C8I C13I 1.428(15) .
C9I C10I 1.415(15) .
C10I C11I 1.419(16) .
C11I C12I 1.402(16) .
C12I C13I 1.434(15) .
C14I C18I 1.409(17) .
C14I C15I 1.416(17) .
C15I C16I 1.427(17) .
C16I C17I 1.425(16) .
C17I C22I 1.408(16) .
C17I C18I 1.422(12) .
C18I C19I 1.430(15) .
C19I C20I 1.380(16) .
C20I C21I 1.430(16) .
C21I C22I 1.434(16) .
Ru3A C25G 1.73(3) .
Ru3A C24G 1.983(17) .
Ru3A C23G 2.047(16) .
Ru3A C31G 2.19(3) .
Ru3A C30G 2.30(2) .
Ru3A C27G 2.38(3) .
Ru3A C29G 2.48(3) .
Ru3A C28G 2.52(2) .
Ru3A Ru4A 2.661(6) .
Ru4A C26G 1.82(5) .
Ru4A C23G 1.997(15) .
Ru4A C24G 2.005(17) .
Ru4A C36G 2.16(2) .
Ru4A C40G 2.21(2) .
Ru4A C37G 2.289(18) .
Ru4A C39G 2.36(2) .
Ru4A C38G 2.394(19) .
C23G O23G 1.156(15) .
C24G O24G 1.182(15) .
C25G O25G 1.24(4) .
C26G O26G 1.10(5) .
C27G C28G 1.409(17) .
C27G C31G 1.417(16) .
C28G C29G 1.430(16) .
C29G C30G 1.432(16) .
C30G C35G 1.391(15) .
C30G C31G 1.421(12) .
C31G C32G 1.410(15) .
C32G C33G 1.431(16) .
C33G C34G 1.412(16) .
C34G C35G 1.428(16) .
C36G C40G 1.409(15) .
C36G C37G 1.425(16) .
C37G C38G 1.422(16) .
C38G C39G 1.415(15) .
C39G C40G 1.426(11) .
C39G C44G 1.448(15) .
C40G C41G 1.384(14) .
C41G C42G 1.432(15) .
C42G C43G 1.387(15) .
C43G C44G 1.403(15) .
Ru3B C25H 1.85(4) .
Ru3B C24H 1.986(16) .
Ru3B C27H 2.01(3) .
Ru3B C23H 2.055(17) .
Ru3B C28H 2.08(2) .
Ru3B C31H 2.23(3) .
Ru3B C29H 2.33(3) .
Ru3B C30H 2.40(3) .
Ru3B Ru4B 2.830(3) .
Ru4B C26H 1.69(4) .
Ru4B C23H 1.994(17) .
Ru4B C24H 2.010(17) .
Ru4B C36H 2.30(2) .
Ru4B C40H 2.31(3) .
Ru4B C37H 2.33(2) .
Ru4B C38H 2.35(2) .
Ru4B C39H 2.37(3) .
C23H O23H 1.193(16) .
C24H O24H 1.173(15) .
C25H O25H 1.11(4) .
C26H O26H 1.23(4) .
C27H C31H 1.403(16) .
C27H C28H 1.434(17) .
C28H C29H 1.407(17) .
C29H C30H 1.434(16) .
C30H C35H 1.413(15) .
C30H C31H 1.419(12) .
C31H C32H 1.405(15) .
C32H C33H 1.422(16) .
C33H C34H 1.436(16) .
C34H C35H 1.413(16) .
C36H C37H 1.420(16) .
C36H C40H 1.423(16) .
C37H C38H 1.420(16) .
C38H C39H 1.424(15) .
C39H C40H 1.419(11) .
C39H C44H 1.425(11) .
C40H C41H 1.390(15) .
C41H C42H 1.487(14) .
C42H C43H 1.450(12) .
C43H C44H 1.401(12) .
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_site_symmetry_4
N1A C1A C2A C3A -1.8(14) .
C1A C2A C3A C4A 1.5(13) .
C1A C2A C3A C16A -179.5(8) .
C2A C3A C4A C5A -1.3(14) .
C16A C3A C4A C5A 179.8(8) .
C3A C4A C5A N1A 1.4(14) .
N2A C6A C7A C8A 3.0(12) .
C6A C7A C8A C9A -2.2(12) .
C6A C7A C8A C17A 175.9(7) .
C7A C8A C9A C10A 0.2(13) .
C17A C8A C9A C10A -177.9(8) .
C8A C9A C10A N2A 1.3(13) .
N3A C11A C12A C13A 2.4(15) .
C11A C12A C13A C14A -3.9(14) .
C11A C12A C13A C18A 177.8(9) .
C12A C13A C14A C15A 2.4(15) .
C18A C13A C14A C15A -179.3(9) .
C13A C14A C15A N3A 0.9(15) .
C4A C3A C16A N6A 174.2(8) .
C2A C3A C16A N6A -4.7(12) .
C4A C3A C16A N4A -4.3(12) .
C2A C3A C16A N4A 176.8(8) .
C9A C8A C17A N4A 172.7(8) .
C7A C8A C17A N4A -5.4(12) .
C9A C8A C17A N5A -4.9(12) .
C7A C8A C17A N5A 177.0(8) .
C14A C13A C18A N5A 178.2(9) .
C12A C13A C18A N5A -3.6(13) .
C14A C13A C18A N6A 3.1(14) .
C12A C13A C18A N6A -178.7(9) .
N7A C19A C20A C21A 0.2(15) .
C19A C20A C21A C22A 0.1(13) .
C19A C20A C21A C34A 175.8(8) .
C20A C21A C22A C23A 0.9(13) .
C34A C21A C22A C23A -174.7(8) .
C21A C22A C23A N7A -2.3(13) .
N8A C24A C25A C26A 1.2(14) .
C24A C25A C26A C27A -0.4(14) .
C24A C25A C26A C35A 176.0(8) .
C25A C26A C27A C28A -1.3(14) .
C35A C26A C27A C28A -177.8(8) .
C26A C27A C28A N8A 2.3(14) .
N9A C29A C30A C31A -1.3(15) .
C29A C30A C31A C32A -1.5(14) .
C29A C30A C31A C36A 173.7(9) .
C30A C31A C32A C33A 2.2(14) .
C36A C31A C32A C33A -173.1(9) .
C31A C32A C33A N9A -0.2(15) .
C22A C21A C34A N12A 179.5(8) .
C20A C21A C34A N12A 4.0(12) .
C22A C21A C34A N10A 3.8(12) .
C20A C21A C34A N10A -171.7(8) .
C25A C26A C35A N11A 180.0(8) .
C27A C26A C35A N11A -3.6(12) .
C25A C26A C35A N10A -3.8(12) .
C27A C26A C35A N10A 172.6(8) .
C30A C31A C36A N11A 1.8(13) .
C32A C31A C36A N11A 177.0(8) .
C30A C31A C36A N12A -177.7(8) .
C32A C31A C36A N12A -2.5(13) .
N37A C37A C38A C39A -1.7(16) .
C37A C38A C39A C40A 4.0(15) .
C37A C38A C39A C52A -178.1(10) .
C38A C39A C40A C41A -4.0(13) .
C52A C39A C40A C41A 178.1(8) .
C39A C40A C41A N37A 1.6(13) .
N38A C42A C43A C44A 0.4(14) .
C42A C43A C44A C53A -179.2(9) .
C42A C43A C44A C45A 0.9(14) .
C53A C44A C45A C46A 178.2(10) .
C43A C44A C45A C46A -1.9(15) .
C44A C45A C46A N38A 1.6(17) .
N15A C47A C48A C49A -7.1(16) .
C47A C48A C49A C50A 5.0(15) .
C47A C48A C49A C54A 178.1(9) .
C48A C49A C50A C51A -0.8(15) .
C54A C49A C50A C51A -173.9(9) .
C49A C50A C51A N15A -2.1(14) .
C40A C39A C52A N42A -179.0(8) .
C38A C39A C52A N42A 3.2(14) .
C40A C39A C52A N40A 0.5(14) .
C38A C39A C52A N40A -177.3(9) .
C43A C44A C53A N40A 1.7(15) .
C45A C44A C53A N40A -178.4(10) .
C43A C44A C53A N41A -177.0(9) .
C45A C44A C53A N41A 2.9(15) .
C50A C49A C54A N42A 1.3(14) .
C48A C49A C54A N42A -171.9(9) .
C50A C49A C54A N41A 178.7(9) .
C48A C49A C54A N41A 5.5(13) .
N19A C55A C56A C57A -2.2(16) .
C55A C56A C57A C58A 3.6(15) .
C55A C56A C57A C70A -176.9(9) .
C56A C57A C58A C59A -2.9(15) .
C70A C57A C58A C59A 177.6(9) .
C57A C58A C59A N19A 0.7(16) .
N20A C60A C61A C62A -1.4(15) .
C60A C61A C62A C63A 2.6(14) .
C60A C61A C62A C71A -176.2(9) .
C61A C62A C63A C64A -2.9(15) .
C71A C62A C63A C64A 175.9(9) .
C62A C63A C64A N20A 1.9(15) .
N21A C65A C66A C67A -3.7(15) .
C65A C66A C67A C68A 2.3(15) .
C65A C66A C67A C72A -179.3(9) .
C66A C67A C68A C69A 0.3(16) .
C72A C67A C68A C69A -178.0(9) .
C67A C68A C69A N21A -1.9(16) .
C58A C57A C70A N24A -3.1(14) .
C56A C57A C70A N24A 177.4(9) .
C58A C57A C70A N22A -179.2(9) .
C56A C57A C70A N22A 1.3(14) .
C63A C62A C71A N23A -179.0(9) .
C61A C62A C71A N23A -0.2(14) .
C63A C62A C71A N22A 1.5(14) .
C61A C62A C71A N22A -179.8(9) .
C68A C67A C72A N24A -178.4(9) .
C66A C67A C72A N24A 3.3(14) .
C68A C67A C72A N23A -2.2(14) .
C66A C67A C72A N23A 179.6(9) .
N13A C73A C74A C75A -0.9(13) .
C73A C74A C75A C76A 0.0(13) .
C73A C74A C75A C88A 176.4(8) .
C74A C75A C76A C77A 1.2(13) .
C88A C75A C76A C77A -175.1(8) .
C75A C76A C77A N13A -1.7(13) .
N14A C78A C79A C80A -0.2(14) .
C78A C79A C80A C81A -1.6(14) .
C78A C79A C80A C89A 177.9(8) .
C79A C80A C81A C82A 1.4(15) .
C89A C80A C81A C82A -178.1(9) .
C80A C81A C82A N14A 0.7(17) .
N39A C83A C84A C85A 3.9(16) .
C83A C84A C85A C86A -2.1(15) .
C83A C84A C85A C90A 178.5(9) .
C84A C85A C86A C87A 0.5(15) .
C90A C85A C86A C87A 179.9(9) .
C85A C86A C87A N39A -0.5(16) .
C76A C75A C88A N16A -7.1(12) .
C74A C75A C88A N16A 176.5(8) .
C76A C75A C88A N18A 171.1(8) .
C74A C75A C88A N18A -5.2(12) .
C79A C80A C89A N17A -177.7(9) .
C81A C80A C89A N17A 1.8(13) .
C79A C80A C89A N16A -0.9(13) .
C81A C80A C89A N16A 178.7(8) .
C86A C85A C90A N18A -2.3(12) .
C84A C85A C90A N18A 177.0(9) .
C86A C85A C90A N17A 174.5(9) .
C84A C85A C90A N17A -6.1(13) .
N43A C91A C92A C93A 0.8(16) .
C91A C92A C93A C94A -3.1(16) .
C91A C92A C93A C106 -179.4(10) .
C92A C93A C94A C95A 3.6(15) .
C106 C93A C94A C95A 179.9(9) .
C93A C94A C95A N43A -1.9(14) .
N44A C96A C97A C98A 1(2) .
C96A C97A C98A C99A 0.3(19) .
C96A C97A C98A C107 -176.9(11) .
C97A C98A C99A C100 -0.3(17) .
C107 C98A C99A C100 177.0(11) .
C98A C99A C100 N44A -0.9(19) .
N45A C101 C102 C103 -0.5(18) .
C101 C102 C103 C104 0.4(17) .
C101 C102 C103 C108 -179.3(11) .
C102 C103 C104 C105 0.1(18) .
C108 C103 C104 C105 179.8(11) .
C103 C104 C105 N45A -0.7(19) .
C92A C93A C106 N46A 174.7(10) .
C94A C93A C106 N46A -1.6(16) .
C92A C93A C106 N48A -3.0(15) .
C94A C93A C106 N48A -179.3(10) .
C97A C98A C107 N47A 175.3(11) .
C99A C98A C107 N47A -1.9(15) .
C97A C98A C107 N46A -2.9(16) .
C99A C98A C107 N46A 179.9(10) .
C102 C103 C108 N47A 4.5(17) .
C104 C103 C108 N47A -175.2(11) .
C102 C103 C108 N48A -180.0(11) .
C104 C103 C108 N48A 0.4(17) .
N25A C109 C110 C111 -4.1(17) .
C109 C110 C111 C112 2.8(16) .
C109 C110 C111 C124 -179.6(10) .
C110 C111 C112 C113 -1.2(14) .
C124 C111 C112 C113 -178.9(9) .
C111 C112 C113 N25A 0.9(15) .
N26A C114 C115 C116 -2.9(17) .
C114 C115 C116 C117 1.2(16) .
C114 C115 C116 C125 -178.1(10) .
C115 C116 C117 C118 0.2(16) .
C125 C116 C117 C118 179.5(10) .
C116 C117 C118 N26A -0.1(16) .
N27A C119 C120 C121 0.7(16) .
C119 C120 C121 C122 -0.3(15) .
C119 C120 C121 C126 175.9(9) .
C120 C121 C122 C123 -1.2(14) .
C126 C121 C122 C123 -177.5(8) .
C121 C122 C123 N27A 2.5(14) .
C110 C111 C124 N30A -174.2(9) .
C112 C111 C124 N30A 3.4(14) .
C110 C111 C124 N28A 2.8(14) .
C112 C111 C124 N28A -179.5(9) .
C115 C116 C125 N29A 5.0(15) .
C117 C116 C125 N29A -174.3(9) .
C115 C116 C125 N28A -174.3(9) .
C117 C116 C125 N28A 6.4(15) .
C120 C121 C126 N30A 7.3(14) .
C122 C121 C126 N30A -176.5(9) .
C120 C121 C126 N29A -171.6(9) .
C122 C121 C126 N29A 4.6(13) .
N31A C127 C128 C129 -2.0(17) .
C127 C128 C129 C130 1.9(15) .
C127 C128 C129 C142 -177.7(9) .
C128 C129 C130 C131 -1.7(17) .
C142 C129 C130 C131 178.0(10) .
C129 C130 C131 N31A 1.4(18) .
N33A C132 C133 C134 -4.5(17) .
C132 C133 C134 C135 0.7(15) .
C132 C133 C134 C143 173.0(9) .
C133 C134 C135 C136 3.5(15) .
C143 C134 C135 C136 -168.8(9) .
C134 C135 C136 N33A -4.8(17) .
N32A C137 C138 C139 -6.1(19) .
C137 C138 C139 C140 2.7(18) .
C137 C138 C139 C144 -176.8(11) .
C138 C139 C140 C141 0.4(16) .
C144 C139 C140 C141 179.9(10) .
C139 C140 C141 N32A -0.3(16) .
C130 C129 C142 N36A -176.9(10) .
C128 C129 C142 N36A 2.7(14) .
C130 C129 C142 N34A 4.7(15) .
C128 C129 C142 N34A -175.6(9) .
C135 C134 C143 N36A -2.2(14) .
C133 C134 C143 N36A -174.5(9) .
C135 C134 C143 N35A 177.8(9) .
C133 C134 C143 N35A 5.5(14) .
C138 C139 C144 N35A 175.4(11) .
C140 C139 C144 N35A -4.1(15) .
C138 C139 C144 N34A -4.6(16) .
C140 C139 C144 N34A 175.9(10) .
N1B C3BB C4BB N2B -35(2) .
N4B C9BA C10B N3B -1(5) .
N4B C9C C10C N3B 79(2) .
N6B C15B C16B N5B -54.4(11) .
N7B C21B C22B N8B 63(2) .
N7B C21C C22C N8B -52(3) .
N9B C27B C28B N10B -57.1(18) .
N9B C27C C28C N10B 55(4) .
N11B C33B C34B N12B -48(3) .
N11B C33C C34C N12B 77(2) .
N13B C39B C40B N14B 38.0(19) .
N15B C45B C46B N16B 51.9(11) .
N21B C51B C52B N22B -50(2) .
N18B C57B C58B N17B 54.1(19) .
N19B C63B C64B N20B -18(6) .
N23B C69B C70B N24B -39(3) .
C4A C5A N1A C1A -1.7(13) .
C4A C5A N1A Pd1 179.0(7) .
C2A C1A N1A C5A 1.9(13) .
C2A C1A N1A Pd1 -178.8(7) .
N7A Pd1 N1A C5A -85.7(7) .
N1B Pd1 N1A C5A 94.1(7) .
N2B Pd1 N1A C5A 33(15) .
N7A Pd1 N1A C1A 95.0(7) .
N1B Pd1 N1A C1A -85.1(7) .
N2B Pd1 N1A C1A -146(14) .
C7A C6A N2A C10A -1.6(12) .
C7A C6A N2A Pd5 -168.8(6) .
C9A C10A N2A C6A -0.6(12) .
C9A C10A N2A Pd5 166.4(6) .
N20A Pd5 N2A C6A 84.5(6) .
N9B Pd5 N2A C6A -97.8(6) .
N10B Pd5 N2A C6A -73(20) .
N20A Pd5 N2A C10A -82.4(6) .
N9B Pd5 N2A C10A 95.3(6) .
N10B Pd5 N2A C10A 120(19) .
C12A C11A N3A C15A 0.9(15) .
C12A C11A N3A Pd3 -170.5(8) .
C14A C15A N3A C11A -2.5(14) .
C14A C15A N3A Pd3 168.8(7) .
N38A Pd3 N3A C11A 86.3(7) .
N6B Pd3 N3A C11A 157(7) .
N5B Pd3 N3A C11A -93.2(7) .
N38A Pd3 N3A C15A -85.1(7) .
N6B Pd3 N3A C15A -15(8) .
N5B Pd3 N3A C15A 95.4(7) .
N5A C17A N4A C16A -1.5(12) .
C8A C17A N4A C16A -178.7(7) .
N6A C16A N4A C17A -0.4(12) .
C3A C16A N4A C17A 178.0(7) .
N4A C17A N5A C18A 2.7(13) .
C8A C17A N5A C18A 180.0(7) .
N6A C18A N5A C17A -2.2(12) .
C13A C18A N5A C17A -177.0(8) .
N4A C16A N6A C18A 0.7(13) .
C3A C16A N6A C18A -177.7(8) .
N5A C18A N6A C16A 0.7(13) .
C13A C18A N6A C16A 175.4(8) .
C22A C23A N7A C19A 2.6(13) .
C22A C23A N7A Pd1 176.3(6) .
C20A C19A N7A C23A -1.6(14) .
C20A C19A N7A Pd1 -175.4(7) .
N1A Pd1 N7A C23A -86.4(7) .
N1B Pd1 N7A C23A 107(26) .
N2B Pd1 N7A C23A 94.7(7) .
N1A Pd1 N7A C19A 87.3(7) .
N1B Pd1 N7A C19A -80(26) .
N2B Pd1 N7A C19A -91.6(7) .
C25A C24A N8A C28A -0.2(13) .
C25A C24A N8A Pd2 -173.0(7) .
C27A C28A N8A C24A -1.5(13) .
C27A C28A N8A Pd2 171.2(7) .
N37A Pd2 N8A C24A 87.2(7) .
N4B Pd2 N8A C24A -93.9(7) .
N3B Pd2 N8A C24A 5(46) .
N37A Pd2 N8A C28A -85.6(7) .
N4B Pd2 N8A C28A 93.3(7) .
N3B Pd2 N8A C28A -168(100) .
C30A C29A N9A C33A 3.3(14) .
C30A C29A N9A Pd4 -167.2(8) .
C32A C33A N9A C29A -2.5(14) .
C32A C33A N9A Pd4 168.0(8) .
N19A Pd4 N9A C29A 84.0(7) .
N8B Pd4 N9A C29A -101(40) .
N7B Pd4 N9A C29A -96.9(7) .
N19A Pd4 N9A C33A -86.2(7) .
N8B Pd4 N9A C33A 89(40) .
N7B Pd4 N9A C33A 93.0(7) .
N12A C34A N10A C35A 1.1(12) .
C21A C34A N10A C35A 176.4(7) .
N11A C35A N10A C34A -1.2(12) .
C26A C35A N10A C34A -177.1(7) .
N10A C35A N11A C36A -0.2(12) .
C26A C35A N11A C36A 175.6(7) .
N12A C36A N11A C35A 2.0(13) .
C31A C36A N11A C35A -177.4(8) .
N10A C34A N12A C36A 0.4(13) .
C21A C34A N12A C36A -174.8(7) .
N11A C36A N12A C34A -2.1(13) .
C31A C36A N12A C34A 177.3(8) .
C76A C77A N13A C73A 0.8(13) .
C76A C77A N13A Pd7 172.0(7) .
C74A C73A N13A C77A 0.5(13) .
C74A C73A N13A Pd7 -170.7(7) .
N43A Pd7 N13A C77A -86.1(7) .
N14B Pd7 N13A C77A 93.2(7) .
N13B Pd7 N13A C77A -28(21) .
N43A Pd7 N13A C73A 84.9(6) .
N14B Pd7 N13A C73A -95.7(7) .
N13B Pd7 N13A C73A 143(20) .
C81A C82A N14A C78A -2.5(15) .
C81A C82A N14A Pd8 171.1(8) .
C79A C78A N14A C82A 2.3(14) .
C79A C78A N14A Pd8 -171.1(7) .
N25A Pd8 N14A C82A -89.0(7) .
N15B Pd8 N14A C82A 89.6(7) .
N16B Pd8 N14A C82A -5(7) .
N25A Pd8 N14A C78A 84.4(7) .
N15B Pd8 N14A C78A -97.0(7) .
N16B Pd8 N14A C78A 168(7) .
C48A C47A N15A C51A 4.6(15) .
C48A C47A N15A Pd6 -164.6(9) .
C50A C51A N15A C47A 0.3(13) .
C50A C51A N15A Pd6 169.4(7) .
N11B Pd6 N15A C47A -26(5) .
N21A Pd6 N15A C47A 86.3(8) .
N12B Pd6 N15A C47A -89.8(8) .
N11B Pd6 N15A C51A 165(4) .
N21A Pd6 N15A C51A -82.6(7) .
N12B Pd6 N15A C51A 101.2(7) .
N18A C88A N16A C89A -0.1(12) .
C75A C88A N16A C89A 178.0(7) .
N17A C89A N16A C88A 0.9(12) .
C80A C89A N16A C88A -175.7(7) .
N16A C89A N17A C90A -0.6(13) .
C80A C89A N17A C90A 175.9(8) .
N18A C90A N17A C89A -0.4(13) .
C85A C90A N17A C89A -176.9(8) .
N17A C90A N18A C88A 1.1(13) .
C85A C90A N18A C88A 177.6(7) .
N16A C88A N18A C90A -0.8(12) .
C75A C88A N18A C90A -178.9(7) .
C58A C59A N19A C55A 0.8(15) .
C58A C59A N19A Pd4 177.0(8) .
C56A C55A N19A C59A 0.0(15) .
C56A C55A N19A Pd4 -176.3(8) .
N9A Pd4 N19A C59A -89.7(8) .
N8B Pd4 N19A C59A 90.3(8) .
N7B Pd4 N19A C59A -147(16) .
N9A Pd4 N19A C55A 86.4(8) .
N8B Pd4 N19A C55A -93.6(8) .
N7B Pd4 N19A C55A 29(17) .
C61A C60A N20A C64A 0.3(14) .
C61A C60A N20A Pd5 -173.4(7) .
C63A C64A N20A C60A -0.5(14) .
C63A C64A N20A Pd5 173.1(7) .
N2A Pd5 N20A C60A 88.6(7) .
N9B Pd5 N20A C60A 22(7) .
N10B Pd5 N20A C60A -91.8(7) .
N2A Pd5 N20A C64A -85.0(7) .
N9B Pd5 N20A C64A -151(6) .
N10B Pd5 N20A C64A 94.7(7) .
C68A C69A N21A C65A 0.7(14) .
C68A C69A N21A Pd6 172.3(8) .
C66A C65A N21A C69A 2.2(14) .
C66A C65A N21A Pd6 -169.2(7) .
N11B Pd6 N21A C69A 89.8(8) .
N15A Pd6 N21A C69A -86.4(7) .
N12B Pd6 N21A C69A -19(5) .
N11B Pd6 N21A C65A -98.8(8) .
N15A Pd6 N21A C65A 85.0(7) .
N12B Pd6 N21A C65A 153(4) .
N23A C71A N22A C70A 2.4(15) .
C62A C71A N22A C70A -178.1(9) .
N24A C70A N22A C71A -0.2(15) .
C57A C70A N22A C71A 175.5(8) .
N22A C71A N23A C72A -1.6(15) .
C62A C71A N23A C72A 178.8(9) .
N24A C72A N23A C71A -1.5(15) .
C67A C72A N23A C71A -177.4(8) .
N23A C72A N24A C70A 3.3(15) .
C67A C72A N24A C70A 179.1(8) .
N22A C70A N24A C72A -2.4(15) .
C57A C70A N24A C72A -178.0(8) .
C110 C109 N25A C113 3.7(15) .
C110 C109 N25A Pd8 -175.6(8) .
C112 C113 N25A C109 -2.1(15) .
C112 C113 N25A Pd8 177.2(8) .
N14A Pd8 N25A C109 90.3(7) .
N15B Pd8 N25A C109 -1(12) .
N16B Pd8 N25A C109 -87.1(7) .
N14A Pd8 N25A C113 -89.0(7) .
N15B Pd8 N25A C113 179(100) .
N16B Pd8 N25A C113 93.6(7) .
C115 C114 N26A C118 2.9(16) .
C115 C114 N26A Pd10 -173.8(8) .
C117 C118 N26A C114 -1.4(15) .
C117 C118 N26A Pd10 175.3(8) .
N32A Pd10 N26A C114 85.0(8) .
N17B Pd10 N26A C114 -94.7(8) .
N18B Pd10 N26A C114 -176(100) .
N32A Pd10 N26A C118 -91.7(8) .
N17B Pd10 N26A C118 88.7(8) .
N18B Pd10 N26A C118 8(26) .
C122 C123 N27A C119 -2.2(15) .
C122 C123 N27A Pd12 168.6(7) .
C120 C119 N27A C123 0.6(15) .
C120 C119 N27A Pd12 -170.3(7) .
N45A Pd12 N27A C123 -85.9(8) .
N23B Pd12 N27A C123 96.5(8) .
N24B Pd12 N27A C123 -9(61) .
N45A Pd12 N27A C119 85.1(8) .
N23B Pd12 N27A C119 -92.4(8) .
N24B Pd12 N27A C119 162(100) .
N29A C125 N28A C124 -0.1(14) .
C116 C125 N28A C124 179.1(9) .
N30A C124 N28A C125 -1.0(14) .
C111 C124 N28A C125 -177.9(8) .
N28A C125 N29A C126 0.6(14) .
C116 C125 N29A C126 -178.6(9) .
N30A C126 N29A C125 0.0(14) .
C121 C126 N29A C125 178.7(8) .
N29A C126 N30A C124 -1.0(14) .
C121 C126 N30A C124 -179.7(8) .
N28A C124 N30A C126 1.5(14) .
C111 C124 N30A C126 178.3(8) .
C128 C127 N31A C131 1.6(16) .
C128 C127 N31A Pd9 -175.4(8) .
C130 C131 N31A C127 -1.2(16) .
C130 C131 N31A Pd9 175.8(9) .
N39A Pd9 N31A C127 94.5(8) .
N21B Pd9 N31A C127 -84.8(9) .
N22B Pd9 N31A C127 13(9) .
N39A Pd9 N31A C131 -82.4(8) .
N21B Pd9 N31A C131 98.3(9) .
N22B Pd9 N31A C131 -164(9) .
C138 C137 N32A C141 6.2(17) .
C138 C137 N32A Pd10 -172.8(9) .
C140 C141 N32A C137 -3.0(16) .
C140 C141 N32A Pd10 176.0(8) .
N26A Pd10 N32A C137 85.5(9) .
N17B Pd10 N32A C137 100(18) .
N18B Pd10 N32A C137 -93.6(9) .
N26A Pd10 N32A C141 -93.5(8) .
N17B Pd10 N32A C141 -79(18) .
N18B Pd10 N32A C141 87.4(9) .
C135 C136 N33A C132 1.4(17) .
C135 C136 N33A Pd11 164.8(9) .
C133 C132 N33A C136 3.5(17) .
C133 C132 N33A Pd11 -160.2(9) .
N44A Pd11 N33A C136 -79.6(9) .
N19B Pd11 N33A C136 35(33) .
N20B Pd11 N33A C136 100.1(10) .
N44A Pd11 N33A C132 83.5(9) .
N19B Pd11 N33A C132 -162(32) .
N20B Pd11 N33A C132 -96.9(9) .
N36A C142 N34A C144 0.1(15) .
C129 C142 N34A C144 178.3(9) .
N35A C144 N34A C142 1.8(16) .
C139 C144 N34A C142 -178.2(9) .
N34A C144 N35A C143 -4.6(16) .
C139 C144 N35A C143 175.4(9) .
N36A C143 N35A C144 5.8(14) .
C134 C143 N35A C144 -174.2(9) .
N35A C143 N36A C142 -4.2(14) .
C134 C143 N36A C142 175.8(9) .
N34A C142 N36A C143 1.2(15) .
C129 C142 N36A C143 -177.0(9) .
C38A C37A N37A C41A -0.8(14) .
C38A C37A N37A Pd2 -179.7(8) .
C40A C41A N37A C37A 0.8(12) .
C40A C41A N37A Pd2 179.7(6) .
N8A Pd2 N37A C37A 94.4(7) .
N4B Pd2 N37A C37A -10(16) .
N3B Pd2 N37A C37A -86.0(7) .
N8A Pd2 N37A C41A -84.4(6) .
N4B Pd2 N37A C41A 171(43) .
N3B Pd2 N37A C41A 95.1(6) .
C45A C46A N38A C42A -0.2(15) .
C45A C46A N38A Pd3 177.4(9) .
C43A C42A N38A C46A -0.8(13) .
C43A C42A N38A Pd3 -178.5(7) .
N6B Pd3 N38A C46A 83.1(8) .
N3A Pd3 N38A C46A -99.2(8) .
N5B Pd3 N38A C46A -23(43) .
N6B Pd3 N38A C42A -99.4(7) .
N3A Pd3 N38A C42A 78.3(7) .
N5B Pd3 N38A C42A 155(54) .
C84A C83A N39A C87A -3.9(16) .
C84A C83A N39A Pd9 -177.5(8) .
C86A C87A N39A C83A 2.2(16) .
C86A C87A N39A Pd9 175.9(8) .
N31A Pd9 N39A C83A 91.0(8) .
N21B Pd9 N39A C83A 177(100) .
N22B Pd9 N39A C83A -91.5(8) .
N31A Pd9 N39A C87A -82.6(8) .
N21B Pd9 N39A C87A 3(38) .
N22B Pd9 N39A C87A 94.9(8) .
N41A C53A N40A C52A -1.7(14) .
C44A C53A N40A C52A 179.7(9) .
N42A C52A N40A C53A 0.5(14) .
C39A C52A N40A C53A -179.0(9) .
N42A C54A N41A C53A 0.8(15) .
C49A C54A N41A C53A -176.4(8) .
N40A C53A N41A C54A 1.2(14) .
C44A C53A N41A C54A 179.8(9) .
N41A C54A N42A C52A -1.9(14) .
C49A C54A N42A C52A 175.2(8) .
N40A C52A N42A C54A 1.2(14) .
C39A C52A N42A C54A -179.3(9) .
C94A C95A N43A C91A -0.4(13) .
C94A C95A N43A Pd7 174.9(7) .
C92A C91A N43A C95A 0.9(14) .
C92A C91A N43A Pd7 -174.6(8) .
N13A Pd7 N43A C95A -87.4(7) .
N14B Pd7 N43A C95A -149(24) .
N13B Pd7 N43A C95A 93.4(7) .
N13A Pd7 N43A C91A 88.1(7) .
N14B Pd7 N43A C91A 26(24) .
N13B Pd7 N43A C91A -91.2(7) .
C99A C100 N44A C96A 2.2(19) .
C99A C100 N44A Pd11 178.7(9) .
C97A C96A N44A C100 -2.2(18) .
C97A C96A N44A Pd11 -178.7(9) .
N19B Pd11 N44A C100 93.6(12) .
N33A Pd11 N44A C100 -87.3(10) .
N20B Pd11 N44A C100 104(19) .
N19B Pd11 N44A C96A -89.9(11) .
N33A Pd11 N44A C96A 89.2(9) .
N20B Pd11 N44A C96A -79(20) .
C104 C105 N45A C101 0.6(17) .
C104 C105 N45A Pd12 173.2(9) .
C102 C101 N45A C105 0.0(17) .
C102 C101 N45A Pd12 -172.1(8) .
N27A Pd12 N45A C105 -87.3(9) .
N23B Pd12 N45A C105 9(11) .
N24B Pd12 N45A C105 93.1(9) .
N27A Pd12 N45A C101 84.7(9) .
N23B Pd12 N45A C101 -179(100) .
N24B Pd12 N45A C101 -94.9(9) .
N48A C106 N46A C107 -1.4(16) .
C93A C106 N46A C107 -178.9(9) .
N47A C107 N46A C106 2.3(16) .
C98A C107 N46A C106 -179.6(9) .
N48A C108 N47A C107 2.0(16) .
C103 C108 N47A C107 177.3(10) .
N46A C107 N47A C108 -2.6(16) .
C98A C107 N47A C108 179.3(9) .
N46A C106 N48A C108 1.0(17) .
C93A C106 N48A C108 178.6(9) .
N47A C108 N48A C106 -1.3(17) .
C103 C108 N48A C106 -176.7(10) .
C4BB C3BB N1B C2BB 145.7(14) .
C4BB C3BB N1B C1BC -91.3(16) .
C4BB C3BB N1B Pd1 28.3(15) .
N1A Pd1 N1B C2BB 58.8(9) .
N7A Pd1 N1B C2BB -134(26) .
N2B Pd1 N1B C2BB -122.3(9) .
N1A Pd1 N1B C1BC -69.6(8) .
N7A Pd1 N1B C1BC 97(26) .
N2B Pd1 N1B C1BC 109.3(9) .
N1A Pd1 N1B C3BB 167.6(8) .
N7A Pd1 N1B C3BB -25(27) .
N2B Pd1 N1B C3BB -13.5(9) .
C3BB C4BB N2B C6BB -101.7(16) .
C3BB C4BB N2B C5BB 147.4(14) .
C3BB C4BB N2B Pd1 21.3(15) .
N1A Pd1 N2B C6BB 179(100) .
N7A Pd1 N2B C6BB -62.2(9) .
N1B Pd1 N2B C6BB 117.9(9) .
N1A Pd1 N2B C5BB -66(15) .
N7A Pd1 N2B C5BB 52.3(9) .
N1B Pd1 N2B C5BB -127.5(9) .
N1A Pd1 N2B C4BB 59(15) .
N7A Pd1 N2B C4BB 177.4(7) .
N1B Pd1 N2B C4BB -2.4(7) .
C9BA C10B N3B C11B -123(4) .
C9BA C10B N3B C12C 107(4) .
C9BA C10B N3B C11C -131(3) .
C9BA C10B N3B C12B 118(3) .
C9BA C10B N3B C10C -86(5) .
C9BA C10B N3B Pd2 -1(4) .
C9C C10C N3B C10B 44(4) .
C9C C10C N3B C11B -171(2) .
C9C C10C N3B C12C 58(2) .
C9C C10C N3B C11C -173.8(17) .
C9C C10C N3B C12B 73(2) .
C9C C10C N3B Pd2 -56.4(16) .
N37A Pd2 N3B C10B -179.3(15) .
N8A Pd2 N3B C10B -97(45) .
N4B Pd2 N3B C10B 1.9(15) .
N37A Pd2 N3B C11B -60.2(18) .
N8A Pd2 N3B C11B 22(46) .
N4B Pd2 N3B C11B 120.9(18) .
N37A Pd2 N3B C12C 92.2(14) .
N8A Pd2 N3B C12C 174(100) .
N4B Pd2 N3B C12C -86.6(14) .
N37A Pd2 N3B C11C -42.9(14) .
N8A Pd2 N3B C11C 39(46) .
N4B Pd2 N3B C11C 138.2(14) .
N37A Pd2 N3B C12B 64.4(12) .
N8A Pd2 N3B C12B 146(52) .
N4B Pd2 N3B C12B -114.5(13) .
N37A Pd2 N3B C10C -155.8(11) .
N8A Pd2 N3B C10C -74(46) .
N4B Pd2 N3B C10C 25.3(11) .
C10B C9BA N4B C8C 136(3) .
C10B C9BA N4B C7BA -138(2) .
C10B C9BA N4B C9C -64(4) .
C10B C9BA N4B C8BA 115(3) .
C10B C9BA N4B C7C -116(2) .
C10B C9BA N4B Pd2 3(3) .
C10C C9C N4B C8C 86(3) .
C10C C9C N4B C7BA 176.5(19) .
C10C C9C N4B C9BA 61(4) .
C10C C9C N4B C8BA 59(2) .
C10C C9C N4B C7C -168(2) .
C10C C9C N4B Pd2 -59(2) .
N37A Pd2 N4B C8C 153(15) .
N8A Pd2 N4B C8C 48(2) .
N3B Pd2 N4B C8C -131(2) .
N37A Pd2 N4B C7BA 63(16) .
N8A Pd2 N4B C7BA -41.0(16) .
N3B Pd2 N4B C7BA 139.4(16) .
N37A Pd2 N4B C9BA -79(15) .
N8A Pd2 N4B C9BA 176.8(14) .
N3B Pd2 N4B C9BA -2.7(14) .
N37A Pd2 N4B C9C -58(16) .
N8A Pd2 N4B C9C -162.3(14) .
N3B Pd2 N4B C9C 18.2(14) .
N37A Pd2 N4B C8BA 176(100) .
N8A Pd2 N4B C8BA 71.8(10) .
N3B Pd2 N4B C8BA -107.7(10) .
N37A Pd2 N4B C7C 42(16) .
N8A Pd2 N4B C7C -62.1(13) .
N3B Pd2 N4B C7C 118.3(13) .
C15B C16B N5B C17B -83.8(10) .
C15B C16B N5B C18B 158.8(9) .
C15B C16B N5B Pd3 35.9(9) .
N38A Pd3 N5B C17B -143(53) .
N6B Pd3 N5B C17B 111.7(6) .
N3A Pd3 N5B C17B -66.0(6) .
N38A Pd3 N5B C18B -24(43) .
N6B Pd3 N5B C18B -129.3(7) .
N3A Pd3 N5B C18B 53.0(7) .
N38A Pd3 N5B C16B 96(42) .
N6B Pd3 N5B C16B -9.9(6) .
N3A Pd3 N5B C16B 172.4(6) .
C16B C15B N6B C13B -78.3(10) .
C16B C15B N6B C14B 166.2(9) .
C16B C15B N6B Pd3 43.6(9) .
N38A Pd3 N6B C15B 162.6(6) .
N3A Pd3 N6B C15B 92(7) .
N5B Pd3 N6B C15B -17.9(6) .
N38A Pd3 N6B C13B -76.7(6) .
N3A Pd3 N6B C13B -147(7) .
N5B Pd3 N6B C13B 102.8(6) .
N38A Pd3 N6B C14B 44.5(7) .
N3A Pd3 N6B C14B -26(7) .
N5B Pd3 N6B C14B -135.9(7) .
C22C C21C N7B C19C 157(3) .
C22C C21C N7B C20B -101(3) .
C22C C21C N7B C20C -80(3) .
C22C C21C N7B C19B 142(3) .
C22C C21C N7B C21B -54(3) .
C22C C21C N7B Pd4 36(3) .
C22B C21B N7B C19C 90(3) .
C22B C21B N7B C20B -169.7(19) .
C22B C21B N7B C20C -154(2) .
C22B C21B N7B C19B 67(2) .
C22B C21B N7B C21C 49(3) .
C22B C21B N7B Pd4 -47.9(17) .
N9A Pd4 N7B C19C 52.6(17) .
N19A Pd4 N7B C19C 110(17) .
N8B Pd4 N7B C19C -127.4(17) .
N9A Pd4 N7B C20B -47.9(13) .
N19A Pd4 N7B C20B 9(17) .
N8B Pd4 N7B C20B 132.1(13) .
N9A Pd4 N7B C20C -68.5(16) .
N19A Pd4 N7B C20C -11(17) .
N8B Pd4 N7B C20C 111.5(16) .
N9A Pd4 N7B C19B 78.5(11) .
N19A Pd4 N7B C19B 136(16) .
N8B Pd4 N7B C19B -101.5(11) .
N9A Pd4 N7B C21C 170.4(13) .
N19A Pd4 N7B C21C -132(16) .
N8B Pd4 N7B C21C -9.7(13) .
N9A Pd4 N7B C21B -161.2(10) .
N19A Pd4 N7B C21B -104(16) .
N8B Pd4 N7B C21B 18.7(10) .
C21B C22B N8B C24C -153(2) .
C21B C22B N8B C23B 85(2) .
C21B C22B N8B C23C 72(2) .
C21B C22B N8B C24B -167.3(19) .
C21B C22B N8B C22C 52(3) .
C21B C22B N8B Pd4 -44.8(18) .
C21C C22C N8B C24C -80(3) .
C21C C22C N8B C23B 154(2) .
C21C C22C N8B C23C 147(3) .
C21C C22C N8B C24B -101(3) .
C21C C22C N8B C22B -52(3) .
C21C C22C N8B Pd4 39(3) .
N9A Pd4 N8B C24C 113(40) .
N19A Pd4 N8B C24C -71.7(15) .
N7B Pd4 N8B C24C 109.2(15) .
N9A Pd4 N8B C23B -122(40) .
N19A Pd4 N8B C23B 53.3(13) .
N7B Pd4 N8B C23B -125.8(13) .
N9A Pd4 N8B C23C -98(40) .
N19A Pd4 N8B C23C 76.9(13) .
N7B Pd4 N8B C23C -102.2(13) .
N9A Pd4 N8B C24B 133(40) .
N19A Pd4 N8B C24B -51.6(13) .
N7B Pd4 N8B C24B 129.3(13) .
N9A Pd4 N8B C22B 17(40) .
N19A Pd4 N8B C22B -168.0(10) .
N7B Pd4 N8B C22B 12.9(10) .
N9A Pd4 N8B C22C -12(40) .
N19A Pd4 N8B C22C 163.7(14) .
N7B Pd4 N8B C22C -15.4(14) .
C28B C27B N9B C25C -103(3) .
C28B C27B N9B C25B -80.3(15) .
C28B C27B N9B C26C 148.9(19) .
C28B C27B N9B C26B 166.2(13) .
C28B C27B N9B C27C -36(4) .
C28B C27B N9B Pd5 41.1(15) .
C28C C27C N9B C25C -163(4) .
C28C C27C N9B C27B 70(4) .
C28C C27C N9B C25B -151(4) .
C28C C27C N9B C26C 75(4) .
C28C C27C N9B C26B 99(4) .
C28C C27C N9B Pd5 -40(4) .
N20A Pd5 N9B C25C 20(7) .
N2A Pd5 N9B C25C -46(2) .
N10B Pd5 N9B C25C 134(2) .
N20A Pd5 N9B C27B -129(6) .
N2A Pd5 N9B C27B 164.5(9) .
N10B Pd5 N9B C27B -15.1(9) .
N20A Pd5 N9B C25B -9(7) .
N2A Pd5 N9B C25B -75.3(8) .
N10B Pd5 N9B C25B 105.1(8) .
N20A Pd5 N9B C26C 142(6) .
N2A Pd5 N9B C26C 75.8(16) .
N10B Pd5 N9B C26C -103.8(16) .
N20A Pd5 N9B C26B 109(6) .
N2A Pd5 N9B C26B 42.9(9) .
N10B Pd5 N9B C26B -136.7(9) .
N20A Pd5 N9B C27C -103(7) .
N2A Pd5 N9B C27C -169.6(18) .
N10B Pd5 N9B C27C 10.8(18) .
C27C C28C N10B C29B -150(3) .
C27C C28C N10B C30B 96(3) .
C27C C28C N10B C28B 35(3) .
C27C C28C N10B C30C 116(3) .
C27C C28C N10B C29C -154(3) .
C27C C28C N10B Pd5 -44(4) .
C27B C28B N10B C28C -71(3) .
C27B C28B N10B C29B -76.7(16) .
C27B C28B N10B C30B 159.0(14) .
C27B C28B N10B C30C 171.4(18) .
C27B C28B N10B C29C -84(2) .
C27B C28B N10B Pd5 42.7(14) .
N20A Pd5 N10B C28C -161(2) .
N2A Pd5 N10B C28C -3(20) .
N9B Pd5 N10B C28C 22(2) .
N20A Pd5 N10B C29B -77.3(10) .
N2A Pd5 N10B C29B 80(20) .
N9B Pd5 N10B C29B 105.0(10) .
N20A Pd5 N10B C30B 57.4(11) .
N2A Pd5 N10B C30B -145(19) .
N9B Pd5 N10B C30B -120.3(11) .
N20A Pd5 N10B C28B 162.6(8) .
N2A Pd5 N10B C28B -40(20) .
N9B Pd5 N10B C28B -15.1(8) .
N20A Pd5 N10B C30C 37.8(18) .
N2A Pd5 N10B C30C -165(34) .
N9B Pd5 N10B C30C -140.0(18) .
N20A Pd5 N10B C29C -52.5(13) .
N2A Pd5 N10B C29C 105(19) .
N9B Pd5 N10B C29C 129.8(13) .
C31C C32C N11B C31B 3.6(19) .
C31C C32C N11B C33B 124.7(16) .
C31C C32C N11B C33C 111(2) .
C31C C32C N11B C32B -57(7) .
C31C C32C N11B Pd6 -127.2(14) .
C32C C31C N11B C31B -171(5) .
C32C C31C N11B C33B -106(2) .
C32C C31C N11B C33C -133.5(18) .
C32C C31C N11B C32B 11.8(16) .
C32C C31C N11B Pd6 119.1(18) .
C34B C33B N11B C32C 151(2) .
C34B C33B N11B C31C -103(3) .
C34B C33B N11B C31B -82(3) .
C34B C33B N11B C33C -47(2) .
C34B C33B N11B C32B 150.6(19) .
C34B C33B N11B Pd6 39(2) .
C34C C33C N11B C32C 64(3) .
C34C C33C N11B C31C 175(2) .
C34C C33C N11B C31B -172(2) .
C34C C33C N11B C33B 39.8(19) .
C34C C33C N11B C32B 69(3) .
C34C C33C N11B Pd6 -61(2) .
N21A Pd6 N11B C32C 64.9(14) .
N15A Pd6 N11B C32C 177(39) .
N12B Pd6 N11B C32C -119.1(15) .
N21A Pd6 N11B C31C -48.7(17) .
N15A Pd6 N11B C31C 63(5) .
N12B Pd6 N11B C31C 127.3(17) .
N21A Pd6 N11B C31B -70.5(14) .
N15A Pd6 N11B C31B 41(5) .
N12B Pd6 N11B C31B 105.5(15) .
N21A Pd6 N11B C33B 169.1(12) .
N15A Pd6 N11B C33B -79(5) .
N12B Pd6 N11B C33B -14.9(12) .
N21A Pd6 N11B C33C -156.7(12) .
N15A Pd6 N11B C33C -45(5) .
N12B Pd6 N11B C33C 19.3(12) .
N21A Pd6 N11B C32B 51.2(11) .
N15A Pd6 N11B C32B 163(4) .
N12B Pd6 N11B C32B -132.8(11) .
C33B C34B N12B C36C 156(3) .
C33B C34B N12B C35B -113(2) .
C33B C34B N12B C34C -37(2) .
C33B C34B N12B C36B 144(2) .
C33B C34B N12B C35C -78(2) .
C33B C34B N12B Pd6 31(3) .
C33C C34C N12B C36C 79(3) .
C33C C34C N12B C34B 65(3) .
C33C C34C N12B C35B -177.8(19) .
C33C C34C N12B C36B 66(2) .
C33C C34C N12B C35C -155(2) .
C33C C34C N12B Pd6 -53.3(19) .
N11B Pd6 N12B C36C -115(2) .
N21A Pd6 N12B C36C -6(6) .
N15A Pd6 N12B C36C 61(2) .
N11B Pd6 N12B C34B -9.9(17) .
N21A Pd6 N12B C34B 99(5) .
N15A Pd6 N12B C34B 166.4(16) .
N11B Pd6 N12B C35B 137.3(15) .
N21A Pd6 N12B C35B -114(4) .
N15A Pd6 N12B C35B -46.3(14) .
N11B Pd6 N12B C34C 14.5(10) .
N21A Pd6 N12B C34C 123(4) .
N15A Pd6 N12B C34C -169.1(10) .
N11B Pd6 N12B C36B -110.5(13) .
N21A Pd6 N12B C36B -2(5) .
N15A Pd6 N12B C36B 65.9(13) .
N11B Pd6 N12B C35C 100.5(11) .
N21A Pd6 N12B C35C -151(4) .
N15A Pd6 N12B C35C -83.2(10) .
C40B C39B N13B C37B -147.9(13) .
C40B C39B N13B C38B 92.8(14) .
C40B C39B N13B Pd7 -25.8(14) .
N43A Pd7 N13B C37B -55.7(7) .
N13A Pd7 N13B C37B -114(20) .
N14B Pd7 N13B C37B 125.0(7) .
N43A Pd7 N13B C38B 71.7(7) .
N13A Pd7 N13B C38B 13(21) .
N14B Pd7 N13B C38B -107.7(7) .
N43A Pd7 N13B C39B -173.5(7) .
N13A Pd7 N13B C39B 128(20) .
N14B Pd7 N13B C39B 7.2(7) .
C39B C40B N14B C41B -151.4(13) .
C39B C40B N14B C42B 88.5(15) .
C39B C40B N14B Pd7 -27.9(15) .
N43A Pd7 N14B C40B -109(24) .
N13A Pd7 N14B C40B -170.8(7) .
N13B Pd7 N14B C40B 8.4(7) .
N43A Pd7 N14B C41B 14(24) .
N13A Pd7 N14B C41B -47.7(8) .
N13B Pd7 N14B C41B 131.6(8) .
N43A Pd7 N14B C42B 134(24) .
N13A Pd7 N14B C42B 72.4(8) .
N13B Pd7 N14B C42B -108.4(8) .
C46B C45B N15B C43B -159.3(9) .
C46B C45B N15B C44B 80.9(10) .
C46B C45B N15B Pd8 -35.2(10) .
N14A Pd8 N15B C43B -46.6(6) .
N25A Pd8 N15B C43B 45(11) .
N16B Pd8 N15B C43B 130.8(6) .
N14A Pd8 N15B C44B 76.0(6) .
N25A Pd8 N15B C44B 168(34) .
N16B Pd8 N15B C44B -106.6(6) .
N14A Pd8 N15B C45B -167.6(6) .
N25A Pd8 N15B C45B -76(11) .
N16B Pd8 N15B C45B 9.7(6) .
C45B C46B N16B C47B -164.9(9) .
C45B C46B N16B C48B 76.2(10) .
C45B C46B N16B Pd8 -40.2(9) .
N14A Pd8 N16B C47B -128(7) .
N25A Pd8 N16B C47B -44.8(7) .
N15B Pd8 N16B C47B 136.6(7) .
N14A Pd8 N16B C46B 111(7) .
N25A Pd8 N16B C46B -165.3(6) .
N15B Pd8 N16B C46B 16.1(6) .
N14A Pd8 N16B C48B -6(7) .
N25A Pd8 N16B C48B 77.9(7) .
N15B Pd8 N16B C48B -100.7(7) .
C57B C58B N17B C59B -157.4(14) .
C57B C58B N17B C60B 80.4(16) .
C57B C58B N17B Pd10 -33.0(15) .
N26A Pd10 N17B C59B -47.9(9) .
N32A Pd10 N17B C59B -63(18) .
N18B Pd10 N17B C59B 131.2(10) .
N26A Pd10 N17B C58B -172.8(8) .
N32A Pd10 N17B C58B 172(100) .
N18B Pd10 N17B C58B 6.3(9) .
N26A Pd10 N17B C60B 76.5(9) .
N32A Pd10 N17B C60B 62(18) .
N18B Pd10 N17B C60B -104.4(9) .
C58B C57B N18B C56B 77.8(18) .
C58B C57B N18B C55B -163.1(16) .
C58B C57B N18B Pd10 -43.2(16) .
N26A Pd10 N18B C56B -21(26) .
N32A Pd10 N18B C56B 77.8(10) .
N17B Pd10 N18B C56B -102.5(10) .
N26A Pd10 N18B C55B -146(25) .
N32A Pd10 N18B C55B -46.3(12) .
N17B Pd10 N18B C55B 133.4(12) .
N26A Pd10 N18B C57B 99(26) .
N32A Pd10 N18B C57B -161.9(10) .
N17B Pd10 N18B C57B 17.7(10) .
C64B C63B N19B C62B 141(4) .
C64B C63B N19B C61B -101(5) .
C64B C63B N19B Pd11 21(5) .
N44A Pd11 N19B C63B 166(3) .
N33A Pd11 N19B C63B 51(33) .
N20B Pd11 N19B C63B -14(3) .
N44A Pd11 N19B C62B 61.6(19) .
N33A Pd11 N19B C62B -53(33) .
N20B Pd11 N19B C62B -118.1(19) .
N44A Pd11 N19B C61B -63.3(18) .
N33A Pd11 N19B C61B -178(100) .
N20B Pd11 N19B C61B 117.0(19) .
C63B C64B N20B C66B -111(3) .
C63B C64B N20B C65B 130(3) .
C63B C64B N20B Pd11 5(4) .
N44A Pd11 N20B C66B 110(19) .
N19B Pd11 N20B C66B 120.1(15) .
N33A Pd11 N20B C66B -58.9(13) .
N44A Pd11 N20B C64B -6(20) .
N19B Pd11 N20B C64B 4.6(18) .
N33A Pd11 N20B C64B -174.4(17) .
N44A Pd11 N20B C65B -136(19) .
N19B Pd11 N20B C65B -125.6(15) .
N33A Pd11 N20B C65B 55.3(14) .
C52B C51B N21B C49B -85.2(18) .
C52B C51B N21B C50B 163.3(15) .
C52B C51B N21B Pd9 34.3(17) .
N31A Pd9 N21B C51B 166.2(10) .
N39A Pd9 N21B C51B 81(37) .
N22B Pd9 N21B C51B -11.3(10) .
N31A Pd9 N21B C49B -76.7(11) .
N39A Pd9 N21B C49B -162(58) .
N22B Pd9 N21B C49B 105.8(11) .
N31A Pd9 N21B C50B 42.3(11) .
N39A Pd9 N21B C50B -43(38) .
N22B Pd9 N21B C50B -135.2(11) .
C51B C52B N22B C53B -80.6(18) .
C51B C52B N22B C54B 157.8(14) .
C51B C52B N22B Pd9 36.3(16) .
N31A Pd9 N22B C53B 7(9) .
N39A Pd9 N22B C53B -74.3(10) .
N21B Pd9 N22B C53B 105.0(10) .
N31A Pd9 N22B C54B 132(9) .
N39A Pd9 N22B C54B 50.9(9) .
N21B Pd9 N22B C54B -129.8(9) .
N31A Pd9 N22B C52B -110(9) .
N39A Pd9 N22B C52B 169.1(8) .
N21B Pd9 N22B C52B -11.6(9) .
C70B C69B N23B C67B -96(2) .
C70B C69B N23B C68B 149(2) .
C70B C69B N23B Pd12 29(2) .
N45A Pd12 N23B C67B -164(10) .
N27A Pd12 N23B C67B -67.4(12) .
N24B Pd12 N23B C67B 112.2(12) .
N45A Pd12 N23B C69B 73(11) .
N27A Pd12 N23B C69B 169.6(12) .
N24B Pd12 N23B C69B -10.8(12) .
N45A Pd12 N23B C68B -44(11) .
N27A Pd12 N23B C68B 52.3(11) .
N24B Pd12 N23B C68B -128.1(12) .
C69B C70B N24B C72B 150(2) .
C69B C70B N24B C71B -85(2) .
C69B C70B N24B Pd12 27(2) .
N45A Pd12 N24B C72B 53.9(13) .
N27A Pd12 N24B C72B -23(62) .
N23B Pd12 N24B C72B -128.5(13) .
N45A Pd12 N24B C71B -76.2(13) .
N27A Pd12 N24B C71B -153(86) .
N23B Pd12 N24B C71B 101.4(13) .
N45A Pd12 N24B C70B 177.1(10) .
N27A Pd12 N24B C70B 100(61) .
N23B Pd12 N24B C70B -5.4(11) .
O11N N4N O10N O12N -145(5) .
O11N N4N O12N O10N 137(6) .
O15N N5N O13N O14N 173(3) 2_766
O14N N5N O13N O14N 2(5) 2_766
O15N N5N O14N O13N -172(3) 2_766
O13N N5N O14N O13N -2(4) 2_766
O31N N11N O32N O33N 166(31) .
O31N N11N O33N O32N -177(7) .
O20M N7M O19M O21M -162(6) .
O20M N7M O21M O19M 170(3) .
O23M N8M O22M O24M 162(7) .
O23M N8M O24M O22M -165(6) .
C3H Ru1B Ru2B C4H 10.5(19) .
C2H Ru1B Ru2B C4H -71.8(11) .
C1H Ru1B Ru2B C4H 78.5(14) .
C7H Ru1B Ru2B C4H -141(3) .
C6H Ru1B Ru2B C4H -129.2(17) .
C5H Ru1B Ru2B C4H -159.3(16) .
C8H Ru1B Ru2B C4H 151(2) .
C9H Ru1B Ru2B C4H 166.4(16) .
C3H Ru1B Ru2B C1H -68(2) .
C2H Ru1B Ru2B C1H -150.3(18) .
C7H Ru1B Ru2B C1H 141(3) .
C6H Ru1B Ru2B C1H 152(2) .
C5H Ru1B Ru2B C1H 122(2) .
C8H Ru1B Ru2B C1H 73(2) .
C9H Ru1B Ru2B C1H 88(2) .
C3H Ru1B Ru2B C2H 82.3(18) .
C1H Ru1B Ru2B C2H 150.3(18) .
C7H Ru1B Ru2B C2H -69(3) .
C6H Ru1B Ru2B C2H -57.4(15) .
C5H Ru1B Ru2B C2H -87.5(15) .
C8H Ru1B Ru2B C2H -136.7(19) .
C9H Ru1B Ru2B C2H -121.8(14) .
C3H Ru1B Ru2B C15H 123(3) .
C2H Ru1B Ru2B C15H 40(2) .
C1H Ru1B Ru2B C15H -170(3) .
C7H Ru1B Ru2B C15H -29(4) .
C6H Ru1B Ru2B C15H -17(2) .
C5H Ru1B Ru2B C15H -47(2) .
C8H Ru1B Ru2B C15H -97(3) .
C9H Ru1B Ru2B C15H -82(2) .
C3H Ru1B Ru2B C14H 152.6(19) .
C2H Ru1B Ru2B C14H 70.2(14) .
C1H Ru1B Ru2B C14H -139(2) .
C7H Ru1B Ru2B C14H 1(3) .
C6H Ru1B Ru2B C14H 12.8(16) .
C5H Ru1B Ru2B C14H -17.3(16) .
C8H Ru1B Ru2B C14H -66(2) .
C9H Ru1B Ru2B C14H -51.6(15) .
C3H Ru1B Ru2B C16H -113(5) .
C2H Ru1B Ru2B C16H 164(4) .
C1H Ru1B Ru2B C16H -45(5) .
C7H Ru1B Ru2B C16H 95(5) .
C6H Ru1B Ru2B C16H 107(4) .
C5H Ru1B Ru2B C16H 77(4) .
C8H Ru1B Ru2B C16H 28(5) .
C9H Ru1B Ru2B C16H 43(4) .
C3H Ru1B Ru2B C17H -132.2(19) .
C2H Ru1B Ru2B C17H 145.5(15) .
C1H Ru1B Ru2B C17H -64(2) .
C7H Ru1B Ru2B C17H 77(3) .
C6H Ru1B Ru2B C17H 88.1(17) .
C5H Ru1B Ru2B C17H 58.0(16) .
C8H Ru1B Ru2B C17H 9(2) .
C9H Ru1B Ru2B C17H 23.7(16) .
C3H Ru1B Ru2B C18H -168.5(18) .
C2H Ru1B Ru2B C18H 109.2(12) .
C1H Ru1B Ru2B C18H -100.6(19) .
C7H Ru1B Ru2B C18H 40(3) .
C6H Ru1B Ru2B C18H 51.8(15) .
C5H Ru1B Ru2B C18H 21.7(14) .
C8H Ru1B Ru2B C18H -27.6(19) .
C9H Ru1B Ru2B C18H -12.6(14) .
C4H Ru2B C1H O1H 114(5) .
C2H Ru2B C1H O1H -165(5) .
C15H Ru2B C1H O1H 24(8) .
C14H Ru2B C1H O1H -58(6) .
C16H Ru2B C1H O1H 24(6) .
C17H Ru2B C1H O1H -8(5) .
C18H Ru2B C1H O1H -43(5) .
Ru1B Ru2B C1H O1H -144(6) .
C4H Ru2B C1H Ru1B -102.5(12) .
C2H Ru2B C1H Ru1B -21.0(12) .
C15H Ru2B C1H Ru1B 168(3) .
C14H Ru2B C1H Ru1B 86(2) .
C16H Ru2B C1H Ru1B 167.7(11) .
C17H Ru2B C1H Ru1B 135.6(12) .
C18H Ru2B C1H Ru1B 100.9(14) .
C3H Ru1B C1H O1H -107(5) .
C2H Ru1B C1H O1H 167(5) .
C7H Ru1B C1H O1H -9(7) .
C6H Ru1B C1H O1H 71(6) .
C5H Ru1B C1H O1H 71(5) .
C8H Ru1B C1H O1H 5(6) .
C9H Ru1B C1H O1H 40(5) .
Ru2B Ru1B C1H O1H 144(6) .
C3H Ru1B C1H Ru2B 108.9(18) .
C2H Ru1B C1H Ru2B 22.8(13) .
C7H Ru1B C1H Ru2B -153(2) .
C6H Ru1B C1H Ru2B -73(3) .
C5H Ru1B C1H Ru2B -73.8(16) .
C8H Ru1B C1H Ru2B -139.3(12) .
C9H Ru1B C1H Ru2B -104.8(14) .
C3H Ru1B C2H O2H 64(7) .
C1H Ru1B C2H O2H 141(7) .
C7H Ru1B C2H O2H -41(8) .
C6H Ru1B C2H O2H -63(7) .
C5H Ru1B C2H O2H -99(7) .
C8H Ru1B C2H O2H -71(8) .
C9H Ru1B C2H O2H -112(7) .
Ru2B Ru1B C2H O2H 163(8) .
C3H Ru1B C2H Ru2B -98.8(13) .
C1H Ru1B C2H Ru2B -21.8(13) .
C7H Ru1B C2H Ru2B 155.6(13) .
C6H Ru1B C2H Ru2B 133.8(15) .
C5H Ru1B C2H Ru2B 98.0(14) .
C8H Ru1B C2H Ru2B 126.4(19) .
C9H Ru1B C2H Ru2B 84.7(15) .
C4H Ru2B C2H O2H -61(5) .
C1H Ru2B C2H O2H -147(5) .
C15H Ru2B C2H O2H 30(5) .
C14H Ru2B C2H O2H 66(5) .
C16H Ru2B C2H O2H 19(6) .
C17H Ru2B C2H O2H 97(5) .
C18H Ru2B C2H O2H 97(5) .
Ru1B Ru2B C2H O2H -169(5) .
C4H Ru2B C2H Ru1B 107.4(10) .
C1H Ru2B C2H Ru1B 21.7(13) .
C15H Ru2B C2H Ru1B -161.8(13) .
C14H Ru2B C2H Ru1B -125.7(13) .
C16H Ru2B C2H Ru1B -172.5(19) .
C17H Ru2B C2H Ru1B -94(2) .
C18H Ru2B C2H Ru1B -94.6(12) .
C2H Ru1B C3H O3H 140(11) .
C1H Ru1B C3H O3H 44(11) .
C7H Ru1B C3H O3H -102(11) .
C6H Ru1B C3H O3H -135(11) .
C5H Ru1B C3H O3H -128(11) .
C8H Ru1B C3H O3H -65(11) .
C9H Ru1B C3H O3H -46(11) .
Ru2B Ru1B C3H O3H 89(11) .
C1H Ru2B C4H O4H 23(14) .
C2H Ru2B C4H O4H -68(14) .
C15H Ru2B C4H O4H -179(100) .
C14H Ru2B C4H O4H -163(14) .
C16H Ru2B C4H O4H 144(14) .
C17H Ru2B C4H O4H 123(14) .
C18H Ru2B C4H O4H 154(13) .
Ru1B Ru2B C4H O4H -24(14) .
C3H Ru1B C5H C9H 108(6) .
C2H Ru1B C5H C9H -160.8(16) .
C1H Ru1B C5H C9H -63.1(19) .
C7H Ru1B C5H C9H 78.8(10) .
C6H Ru1B C5H C9H 117.4(12) .
C8H Ru1B C5H C9H 36.5(8) .
Ru2B Ru1B C5H C9H -109.5(16) .
C3H Ru1B C5H C6H -10(6) .
C2H Ru1B C5H C6H 81.8(15) .
C1H Ru1B C5H C6H 179.5(17) .
C7H Ru1B C5H C6H -38.6(8) .
C8H Ru1B C5H C6H -80.8(8) .
C9H Ru1B C5H C6H -117.4(12) .
Ru2B Ru1B C5H C6H 133.1(14) .
C9H C5H C6H C7H -0.6(14) .
Ru1B C5H C6H C7H 64.3(8) .
C9H C5H C6H Ru1B -65.0(13) .
C3H Ru1B C6H C5H 177(2) .
C2H Ru1B C6H C5H -98.5(15) .
C1H Ru1B C6H C5H -1(4) .
C7H Ru1B C6H C5H 115.1(10) .
C8H Ru1B C6H C5H 76.9(8) .
C9H Ru1B C6H C5H 36.0(7) .
Ru2B Ru1B C6H C5H -57.4(14) .
C3H Ru1B C6H C7H 61(2) .
C2H Ru1B C6H C7H 146.4(16) .
C1H Ru1B C6H C7H -116(4) .
C5H Ru1B C6H C7H -115.1(10) .
C8H Ru1B C6H C7H -38.2(8) .
C9H Ru1B C6H C7H -79.1(8) .
Ru2B Ru1B C6H C7H -172.5(14) .
C5H C6H C7H C8H 1.4(13) .
Ru1B C6H C7H C8H 67.2(12) .
C5H C6H C7H Ru1B -65.8(8) .
C3H Ru1B C7H C6H -134(2) .
C2H Ru1B C7H C6H -38.7(16) .
C1H Ru1B C7H C6H 137(4) .
C5H Ru1B C7H C6H 38.0(7) .
C8H Ru1B C7H C6H 114.9(12) .
C9H Ru1B C7H C6H 78.4(8) .
Ru2B Ru1B C7H C6H 17(3) .
C3H Ru1B C7H C8H 111(2) .
C2H Ru1B C7H C8H -153.6(16) .
C1H Ru1B C7H C8H 22(4) .
C6H Ru1B C7H C8H -114.9(12) .
C5H Ru1B C7H C8H -76.9(9) .
C9H Ru1B C7H C8H -36.5(8) .
Ru2B Ru1B C7H C8H -98(3) .
C6H C7H C8H C13H 179(3) .
Ru1B C7H C8H C13H -116(4) .
C6H C7H C8H C9H -2(2) .
Ru1B C7H C8H C9H 63.3(15) .
C6H C7H C8H Ru1B -64.8(10) .
C3H Ru1B C8H C13H 47(2) .
C2H Ru1B C8H C13H 176(3) .
C1H Ru1B C8H C13H -39(2) .
C7H Ru1B C8H C13H 128.6(18) .
C6H Ru1B C8H C13H 167.2(16) .
C5H Ru1B C8H C13H -150.6(15) .
C9H Ru1B C8H C13H -114.5(14) .
Ru2B Ru1B C8H C13H -89(3) .
C3H Ru1B C8H C9H 162(2) .
C2H Ru1B C8H C9H -70(3) .
C1H Ru1B C8H C9H 76(2) .
C7H Ru1B C8H C9H -116.9(14) .
C6H Ru1B C8H C9H -78.2(10) .
C5H Ru1B C8H C9H -36.0(9) .
Ru2B Ru1B C8H C9H 25(2) .
C3H Ru1B C8H C7H -82(2) .
C2H Ru1B C8H C7H 47(3) .
C1H Ru1B C8H C7H -167(2) .
C6H Ru1B C8H C7H 38.6(8) .
C5H Ru1B C8H C7H 80.8(9) .
C9H Ru1B C8H C7H 116.9(14) .
Ru2B Ru1B C8H C7H 142(2) .
C6H C5H C9H C10H -177(3) .
Ru1B C5H C9H C10H 121(4) .
C6H C5H C9H C8H 0(2) .
Ru1B C5H C9H C8H -62.3(15) .
C6H C5H C9H Ru1B 62.0(10) .
C13H C8H C9H C5H -179(3) .
C7H C8H C9H C5H 1(2) .
Ru1B C8H C9H C5H 61.5(14) .
C13H C8H C9H C10H -3(4) .
C7H C8H C9H C10H 178(3) .
Ru1B C8H C9H C10H -122(3) .
C13H C8H C9H Ru1B 119(3) .
C7H C8H C9H Ru1B -60.4(14) .
C3H Ru1B C9H C5H -150(3) .
C2H Ru1B C9H C5H 24(2) .
C1H Ru1B C9H C5H 127.8(19) .
C7H Ru1B C9H C5H -80.3(10) .
C6H Ru1B C9H C5H -37.5(9) .
C8H Ru1B C9H C5H -117.9(15) .
Ru2B Ru1B C9H C5H 78.5(18) .
C3H Ru1B C9H C10H 83(4) .
C2H Ru1B C9H C10H -103(2) .
C1H Ru1B C9H C10H 1(2) .
C7H Ru1B C9H C10H 152.6(16) .
C6H Ru1B C9H C10H -164.6(17) .
C5H Ru1B C9H C10H -127(2) .
C8H Ru1B C9H C10H 115.0(14) .
Ru2B Ru1B C9H C10H -49(2) .
C3H Ru1B C9H C8H -32(3) .
C2H Ru1B C9H C8H 141.7(17) .
C1H Ru1B C9H C8H -114.4(19) .
C7H Ru1B C9H C8H 37.6(9) .
C6H Ru1B C9H C8H 80.4(11) .
C5H Ru1B C9H C8H 117.9(15) .
Ru2B Ru1B C9H C8H -163.6(16) .
C5H C9H C10H C11H -177(3) .
C8H C9H C10H C11H 7(6) .
Ru1B C9H C10H C11H -82(4) .
C9H C10H C11H C12H 0(7) .
C10H C11H C12H C13H -12(7) .
C9H C8H C13H C12H -9(5) .
C7H C8H C13H C12H 170(3) .
Ru1B C8H C13H C12H 79(4) .
C11H C12H C13H C8H 16(7) .
C4H Ru2B C14H C18H -145.0(17) .
C1H Ru2B C14H C18H 25(3) .
C2H Ru2B C14H C18H 129.0(14) .
C15H Ru2B C14H C18H -116.7(12) .
C16H Ru2B C14H C18H -77.6(10) .
C17H Ru2B C14H C18H -35.9(8) .
Ru1B Ru2B C14H C18H 85.4(15) .
C4H Ru2B C14H C15H -28.4(18) .
C1H Ru2B C14H C15H 141(3) .
C2H Ru2B C14H C15H -114.4(13) .
C16H Ru2B C14H C15H 39.1(7) .
C17H Ru2B C14H C15H 80.7(8) .
C18H Ru2B C14H C15H 116.7(12) .
Ru1B Ru2B C14H C15H -158.0(13) .
C18H C14H C15H C16H -1.1(13) .
Ru2B C14H C15H C16H -66.8(7) .
C18H C14H C15H Ru2B 65.7(13) .
C4H Ru2B C15H C14H 157.8(15) .
C1H Ru2B C15H C14H -114(4) .
C2H Ru2B C15H C14H 75.4(13) .
C16H Ru2B C15H C14H -114.1(10) .
C17H Ru2B C15H C14H -77.4(8) .
C18H Ru2B C15H C14H -36.7(7) .
Ru1B Ru2B C15H C14H 45(2) .
C4H Ru2B C15H C16H -88.1(16) .
C1H Ru2B C15H C16H 0(4) .
C2H Ru2B C15H C16H -170.5(13) .
C14H Ru2B C15H C16H 114.1(10) .
C17H Ru2B C15H C16H 36.8(7) .
C18H Ru2B C15H C16H 77.4(8) .
Ru1B Ru2B C15H C16H 159(2) .
C14H C15H C16H C17H 1.9(13) .
Ru2B C15H C16H C17H -64.8(12) .
C14H C15H C16H Ru2B 66.7(7) .
C4H Ru2B C16H C17H -149.2(17) .
C1H Ru2B C16H C17H -63(2) .
C2H Ru2B C16H C17H 134(2) .
C15H Ru2B C16H C17H 116.9(12) .
C14H Ru2B C16H C17H 77.9(9) .
C18H Ru2B C16H C17H 36.7(8) .
Ru1B Ru2B C16H C17H -25(5) .
C4H Ru2B C16H C15H 93.9(17) .
C1H Ru2B C16H C15H -180(2) .
C2H Ru2B C16H C15H 17(2) .
C14H Ru2B C16H C15H -39.0(7) .
C17H Ru2B C16H C15H -116.9(12) .
C18H Ru2B C16H C15H -80.2(8) .
Ru1B Ru2B C16H C15H -142(5) .
C15H C16H C17H C22H -171(3) .
Ru2B C16H C17H C22H 127(4) .
C15H C16H C17H C18H -2(2) .
Ru2B C16H C17H C18H -63.2(15) .
C15H C16H C17H Ru2B 61.3(10) .
C4H Ru2B C17H C22H -91(2) .
C1H Ru2B C17H C22H 0(2) .
C2H Ru2B C17H C22H 114(3) .
C15H Ru2B C17H C22H -166.5(17) .
C14H Ru2B C17H C22H 150.7(16) .
C16H Ru2B C17H C22H -128.6(19) .
C18H Ru2B C17H C22H 114.5(16) .
Ru1B Ru2B C17H C22H 43(2) .
C4H Ru2B C17H C18H 154.1(18) .
C1H Ru2B C17H C18H -114.3(18) .
C2H Ru2B C17H C18H 0(3) .
C15H Ru2B C17H C18H 79.0(11) .
C14H Ru2B C17H C18H 36.3(10) .
C16H Ru2B C17H C18H 116.9(14) .
Ru1B Ru2B C17H C18H -71.2(19) .
C4H Ru2B C17H C16H 37(2) .
C1H Ru2B C17H C16H 128.8(19) .
C2H Ru2B C17H C16H -117(3) .
C15H Ru2B C17H C16H -37.9(9) .
C14H Ru2B C17H C16H -80.7(10) .
C18H Ru2B C17H C16H -116.9(14) .
Ru1B Ru2B C17H C16H 171.9(18) .
C15H C14H C18H C19H 176(3) .
Ru2B C14H C18H C19H -123(4) .
C15H C14H C18H C17H 0(2) .
Ru2B C14H C18H C17H 61.6(16) .
C15H C14H C18H Ru2B -61.8(10) .
C22H C17H C18H C14H 172(3) .
C16H C17H C18H C14H 1(2) .
Ru2B C17H C18H C14H -59.8(14) .
C22H C17H C18H C19H -4(4) .
C16H C17H C18H C19H -175(3) .
Ru2B C17H C18H C19H 124(3) .
C22H C17H C18H Ru2B -128(3) .
C16H C17H C18H Ru2B 61.1(14) .
C4H Ru2B C18H C14H 69(3) .
C1H Ru2B C18H C14H -165.5(18) .
C2H Ru2B C18H C14H -61.5(17) .
C15H Ru2B C18H C14H 38.1(9) .
C16H Ru2B C18H C14H 81.2(10) .
C17H Ru2B C18H C14H 118.6(15) .
Ru1B Ru2B C18H C14H -113.0(16) .
C4H Ru2B C18H C19H -164(3) .
C1H Ru2B C18H C19H -38(2) .
C2H Ru2B C18H C19H 66.0(18) .
C15H Ru2B C18H C19H 165.6(16) .
C14H Ru2B C18H C19H 127.5(19) .
C16H Ru2B C18H C19H -151.3(16) .
C17H Ru2B C18H C19H -113.9(15) .
Ru1B Ru2B C18H C19H 14.5(19) .
C4H Ru2B C18H C17H -50(3) .
C1H Ru2B C18H C17H 75.9(18) .
C2H Ru2B C18H C17H 179.9(15) .
C15H Ru2B C18H C17H -80.4(11) .
C14H Ru2B C18H C17H -118.6(15) .
C16H Ru2B C18H C17H -37.4(9) .
Ru1B Ru2B C18H C17H 128.5(16) .
C14H C18H C19H C20H -177(3) .
C17H C18H C19H C20H -2(5) .
Ru2B C18H C19H C20H 88(4) .
C18H C19H C20H C21H -3(6) .
C19H C20H C21H C22H 14(6) .
C18H C17H C22H C21H 15(5) .
C16H C17H C22H C21H -177(3) .
Ru2B C17H C22H C21H -78(4) .
C20H C21H C22H C17H -20(6) .
C3I Ru1C Ru2C C4I 1.1(18) .
C1I Ru1C Ru2C C4I 92.1(17) .
C2I Ru1C Ru2C C4I -65.8(18) .
C6I Ru1C Ru2C C4I -126.8(15) .
C5I Ru1C Ru2C C4I -137(2) .
C7I Ru1C Ru2C C4I -158.5(15) .
C8I Ru1C Ru2C C4I 164.7(14) .
C9I Ru1C Ru2C C4I 145.7(16) .
C3I Ru1C Ru2C C1I -91.0(15) .
C2I Ru1C Ru2C C1I -157.9(16) .
C6I Ru1C Ru2C C1I 141.2(12) .
C5I Ru1C Ru2C C1I 131(2) .
C7I Ru1C Ru2C C1I 109.4(12) .
C8I Ru1C Ru2C C1I 72.7(11) .
C9I Ru1C Ru2C C1I 53.7(14) .
C3I Ru1C Ru2C C2I 66.9(17) .
C1I Ru1C Ru2C C2I 157.9(16) .
C6I Ru1C Ru2C C2I -60.9(14) .
C5I Ru1C Ru2C C2I -71(2) .
C7I Ru1C Ru2C C2I -92.7(14) .
C8I Ru1C Ru2C C2I -129.4(14) .
C9I Ru1C Ru2C C2I -148.5(16) .
C3I Ru1C Ru2C C16I 119(3) .
C1I Ru1C Ru2C C16I -150(3) .
C2I Ru1C Ru2C C16I 52(3) .
C6I Ru1C Ru2C C16I -9(3) .
C5I Ru1C Ru2C C16I -19(3) .
C7I Ru1C Ru2C C16I -40(3) .
C8I Ru1C Ru2C C16I -77(3) .
C9I Ru1C Ru2C C16I -96(3) .
C3I Ru1C Ru2C C15I 126.2(16) .
C1I Ru1C Ru2C C15I -142.8(15) .
C2I Ru1C Ru2C C15I 59.3(16) .
C6I Ru1C Ru2C C15I -1.6(13) .
C5I Ru1C Ru2C C15I -12(2) .
C7I Ru1C Ru2C C15I -33.4(12) .
C8I Ru1C Ru2C C15I -70.2(12) .
C9I Ru1C Ru2C C15I -89.2(14) .
C3I Ru1C Ru2C C17I -136.0(19) .
C1I Ru1C Ru2C C17I -45.1(19) .
C2I Ru1C Ru2C C17I 157(2) .
C6I Ru1C Ru2C C17I 96.1(17) .
C5I Ru1C Ru2C C17I 86(2) .
C7I Ru1C Ru2C C17I 64.3(17) .
C8I Ru1C Ru2C C17I 27.6(16) .
C9I Ru1C Ru2C C17I 8.6(18) .
C3I Ru1C Ru2C C14I 161.8(15) .
C1I Ru1C Ru2C C14I -107.2(14) .
C2I Ru1C Ru2C C14I 94.9(16) .
C6I Ru1C Ru2C C14I 33.9(11) .
C5I Ru1C Ru2C C14I 24(2) .
C7I Ru1C Ru2C C14I 2.2(11) .
C8I Ru1C Ru2C C14I -34.6(10) .
C9I Ru1C Ru2C C14I -53.6(13) .
C3I Ru1C Ru2C C18I -160.6(14) .
C1I Ru1C Ru2C C18I -69.7(13) .
C2I Ru1C Ru2C C18I 132.4(15) .
C6I Ru1C Ru2C C18I 71.5(10) .
C5I Ru1C Ru2C C18I 61(2) .
C7I Ru1C Ru2C C18I 39.7(10) .
C8I Ru1C Ru2C C18I 3.0(9) .
C9I Ru1C Ru2C C18I -16.0(12) .
C4I Ru2C C1I O1I 94(3) .
C2I Ru2C C1I O1I 165(3) .
C16I Ru2C C1I O1I -13(4) .
C15I Ru2C C1I O1I -89(4) .
C17I Ru2C C1I O1I -22(3) .
C14I Ru2C C1I O1I -87(3) .
C18I Ru2C C1I O1I -56(3) .
Ru1C Ru2C C1I O1I -179(4) .
C4I Ru2C C1I Ru1C -86.5(15) .
C2I Ru2C C1I Ru1C -15.7(12) .
C16I Ru2C C1I Ru1C 166.4(17) .
C15I Ru2C C1I Ru1C 90(2) .
C17I Ru2C C1I Ru1C 157.6(9) .
C14I Ru2C C1I Ru1C 92.5(11) .
C18I Ru2C C1I Ru1C 123.8(9) .
C3I Ru1C C1I O1I -84(3) .
C2I Ru1C C1I O1I -165(3) .
C6I Ru1C C1I O1I 94(3) .
C5I Ru1C C1I O1I 22(4) .
C7I Ru1C C1I O1I 95(3) .
C8I Ru1C C1I O1I 63(3) .
C9I Ru1C C1I O1I 30(3) .
Ru2C Ru1C C1I O1I 179(3) .
C3I Ru1C C1I Ru2C 96.6(14) .
C2I Ru1C C1I Ru2C 15.6(11) .
C6I Ru1C C1I Ru2C -85.6(16) .
C5I Ru1C C1I Ru2C -157.0(11) .
C7I Ru1C C1I Ru2C -84.7(9) .
C8I Ru1C C1I Ru2C -116.5(8) .
C9I Ru1C C1I Ru2C -149.2(8) .
C4I Ru2C C2I O2I -107(4) .
C1I Ru2C C2I O2I 164(3) .
C16I Ru2C C2I O2I -18(4) .
C15I Ru2C C2I O2I 11(3) .
C17I Ru2C C2I O2I 1(5) .
C14I Ru2C C2I O2I 47(3) .
C18I Ru2C C2I O2I 64(4) .
Ru1C Ru2C C2I O2I 148(4) .
C4I Ru2C C2I Ru1C 105.2(18) .
C1I Ru2C C2I Ru1C 15.5(11) .
C16I Ru2C C2I Ru1C -165.9(11) .
C15I Ru2C C2I Ru1C -137.2(13) .
C17I Ru2C C2I Ru1C -147(2) .
C14I Ru2C C2I Ru1C -101.1(13) .
C18I Ru2C C2I Ru1C -83.8(15) .
C3I Ru1C C2I O2I 100(4) .
C1I Ru1C C2I O2I -161(3) .
C6I Ru1C C2I O2I -12(4) .
C5I Ru1C C2I O2I 13(4) .
C7I Ru1C C2I O2I -49(4) .
C8I Ru1C C2I O2I -69(4) .
C9I Ru1C C2I O2I -22(5) .
Ru2C Ru1C C2I O2I -146(4) .
C3I Ru1C C2I Ru2C -113.6(15) .
C1I Ru1C C2I Ru2C -15.4(11) .
C6I Ru1C C2I Ru2C 134.2(11) .
C5I Ru1C C2I Ru2C 159.3(8) .
C7I Ru1C C2I Ru2C 96.7(11) .
C8I Ru1C C2I Ru2C 77.1(13) .
C9I Ru1C C2I Ru2C 123.8(17) .
C1I Ru1C C3I O3I 9(9) .
C2I Ru1C C3I O3I 96(9) .
C6I Ru1C C3I O3I -170(9) .
C5I Ru1C C3I O3I -137(9) .
C7I Ru1C C3I O3I -169(7) .
C8I Ru1C C3I O3I -98(9) .
C9I Ru1C C3I O3I -104(9) .
Ru2C Ru1C C3I O3I 55(9) .
C1I Ru2C C4I O4I -90(10) .
C2I Ru2C C4I O4I -179(100) .
C16I Ru2C C4I O4I 58(11) .
C15I Ru2C C4I O4I 92(10) .
C17I Ru2C C4I O4I 23(11) .
C14I Ru2C C4I O4I 92(11) .
C18I Ru2C C4I O4I 12(13) .
Ru1C Ru2C C4I O4I -135(10) .
C3I Ru1C C5I C6I -125.0(15) .
C1I Ru1C C5I C6I 127.0(18) .
C2I Ru1C C5I C6I -43.8(15) .
C7I Ru1C C5I C6I 37.8(7) .
C8I Ru1C C5I C6I 79.2(8) .
C9I Ru1C C5I C6I 114.6(11) .
Ru2C Ru1C C5I C6I 14(2) .
C3I Ru1C C5I C9I 120.4(15) .
C1I Ru1C C5I C9I 12(2) .
C2I Ru1C C5I C9I -158.4(14) .
C6I Ru1C C5I C9I -114.6(11) .
C7I Ru1C C5I C9I -76.8(9) .
C8I Ru1C C5I C9I -35.4(7) .
Ru2C Ru1C C5I C9I -101(2) .
C9I C5I C6I C7I 2.1(11) .
Ru1C C5I C6I C7I -64.6(6) .
C9I C5I C6I Ru1C 66.7(11) .
C3I Ru1C C6I C7I 179.0(15) .
C1I Ru1C C6I C7I 1.4(18) .
C2I Ru1C C6I C7I -97.5(11) .
C5I Ru1C C6I C7I 116.4(9) .
C8I Ru1C C6I C7I 37.2(7) .
C9I Ru1C C6I C7I 78.0(7) .
Ru2C Ru1C C6I C7I -58.5(9) .
C3I Ru1C C6I C5I 62.6(15) .
C1I Ru1C C6I C5I -115.1(17) .
C2I Ru1C C6I C5I 146.0(11) .
C7I Ru1C C6I C5I -116.4(9) .
C8I Ru1C C6I C5I -79.3(8) .
C9I Ru1C C6I C5I -38.5(7) .
Ru2C Ru1C C6I C5I -174.9(8) .
C5I C6I C7I C8I -0.7(10) .
Ru1C C6I C7I C8I -64.8(10) .
C5I C6I C7I Ru1C 64.0(6) .
C3I Ru1C C7I C8I 115(3) .
C1I Ru1C C7I C8I -62.7(11) .
C2I Ru1C C7I C8I -155.2(10) .
C6I Ru1C C7I C8I 116.5(11) .
C5I Ru1C C7I C8I 78.5(8) .
C9I Ru1C C7I C8I 36.3(7) .
Ru2C Ru1C C7I C8I -108.7(9) .
C3I Ru1C C7I C6I -2(3) .
C1I Ru1C C7I C6I -179.3(10) .
C2I Ru1C C7I C6I 88.3(10) .
C5I Ru1C C7I C6I -38.0(7) .
C8I Ru1C C7I C6I -116.5(11) .
C9I Ru1C C7I C6I -80.2(8) .
Ru2C Ru1C C7I C6I 134.8(9) .
C6I C7I C8I C9I -1.0(18) .
Ru1C C7I C8I C9I -62.9(13) .
C6I C7I C8I C13I 178(2) .
Ru1C C7I C8I C13I 116(3) .
C6I C7I C8I Ru1C 61.9(8) .
C3I Ru1C C8I C9I -9(2) .
C1I Ru1C C8I C9I -117.8(10) .
C2I Ru1C C8I C9I 151.6(11) .
C6I Ru1C C8I C9I 79.6(9) .
C5I Ru1C C8I C9I 36.7(9) .
C7I Ru1C C8I C9I 117.8(13) .
Ru2C Ru1C C8I C9I -160.2(9) .
C3I Ru1C C8I C7I -127(2) .
C1I Ru1C C8I C7I 124.4(11) .
C2I Ru1C C8I C7I 33.8(14) .
C6I Ru1C C8I C7I -38.2(8) .
C5I Ru1C C8I C7I -81.2(9) .
C9I Ru1C C8I C7I -117.8(13) .
Ru2C Ru1C C8I C7I 81.9(10) .
C3I Ru1C C8I C13I 106(2) .
C1I Ru1C C8I C13I -2.8(13) .
C2I Ru1C C8I C13I -93.3(13) .
C6I Ru1C C8I C13I -165.3(14) .
C5I Ru1C C8I C13I 151.7(13) .
C7I Ru1C C8I C13I -127.1(16) .
C9I Ru1C C8I C13I 115.0(13) .
Ru2C Ru1C C8I C13I -45.2(12) .
C7I C8I C9I C10I 174(2) .
C13I C8I C9I C10I -5(4) .
Ru1C C8I C9I C10I 113(3) .
C7I C8I C9I C5I 2(2) .
C13I C8I C9I C5I -177(2) .
Ru1C C8I C9I C5I -58.6(13) .
C7I C8I C9I Ru1C 60.9(12) .
C13I C8I C9I Ru1C -118(2) .
C6I C5I C9I C10I -173(3) .
Ru1C C5I C9I C10I -110(3) .
C6I C5I C9I C8I -2.7(18) .
Ru1C C5I C9I C8I 60.8(14) .
C6I C5I C9I Ru1C -63.5(8) .
C3I Ru1C C9I C10I 59.6(17) .
C1I Ru1C C9I C10I -46.3(14) .
C2I Ru1C C9I C10I 177(2) .
C6I Ru1C C9I C10I 165.3(14) .
C5I Ru1C C9I C10I 126.1(16) .
C7I Ru1C C9I C10I -151.8(13) .
C8I Ru1C C9I C10I -114.8(12) .
Ru2C Ru1C C9I C10I -83.1(16) .
C3I Ru1C C9I C8I 174.3(14) .
C1I Ru1C C9I C8I 68.4(12) .
C2I Ru1C C9I C8I -68(2) .
C6I Ru1C C9I C8I -80.0(9) .
C5I Ru1C C9I C8I -119.1(13) .
C7I Ru1C C9I C8I -37.0(8) .
Ru2C Ru1C C9I C8I 31.7(14) .
C3I Ru1C C9I C5I -66.6(16) .
C1I Ru1C C9I C5I -172.4(12) .
C2I Ru1C C9I C5I 51(2) .
C6I Ru1C C9I C5I 39.2(8) .
C7I Ru1C C9I C5I 82.1(9) .
C8I Ru1C C9I C5I 119.1(13) .
Ru2C Ru1C C9I C5I 150.8(11) .
C8I C9I C10I C11I 8(5) .
C5I C9I C10I C11I 178(3) .
Ru1C C9I C10I C11I 92(3) .
C9I C10I C11I C12I -2(5) .
C10I C11I C12I C13I -6(5) .
C9I C8I C13I C12I -4(4) .
C7I C8I C13I C12I 178(2) .
Ru1C C8I C13I C12I -91(3) .
C11I C12I C13I C8I 9(4) .
C4I Ru2C C14I C18I -119(4) .
C1I Ru2C C14I C18I 63.2(14) .
C2I Ru2C C14I C18I 160.4(12) .
C16I Ru2C C14I C18I -79.6(10) .
C15I Ru2C C14I C18I -118.7(12) .
C17I Ru2C C14I C18I -37.2(8) .
Ru1C Ru2C C14I C18I 111.8(11) .
C4I Ru2C C14I C15I 0(4) .
C1I Ru2C C14I C15I -178.0(13) .
C2I Ru2C C14I C15I -80.9(12) .
C16I Ru2C C14I C15I 39.1(7) .
C17I Ru2C C14I C15I 81.6(8) .
C18I Ru2C C14I C15I 118.7(12) .
Ru1C Ru2C C14I C15I -129.4(10) .
C18I C14I C15I C16I -0.9(12) .
Ru2C C14I C15I C16I -64.2(7) .
C18I C14I C15I Ru2C 63.3(12) .
C4I Ru2C C15I C14I 179.8(18) .
C1I Ru2C C15I C14I 4(2) .
C2I Ru2C C15I C14I 107.2(13) .
C16I Ru2C C15I C14I -114.4(10) .
C17I Ru2C C15I C14I -76.8(8) .
C18I Ru2C C15I C14I -35.7(7) .
Ru1C Ru2C C15I C14I 68.5(10) .
C4I Ru2C C15I C16I -65.8(18) .
C1I Ru2C C15I C16I 118(2) .
C2I Ru2C C15I C16I -138.3(13) .
C17I Ru2C C15I C16I 37.6(7) .
C14I Ru2C C15I C16I 114.4(10) .
C18I Ru2C C15I C16I 78.8(8) .
Ru1C Ru2C C15I C16I -177.0(10) .
C14I C15I C16I C17I 0.8(12) .
Ru2C C15I C16I C17I -65.1(12) .
C14I C15I C16I Ru2C 65.9(7) .
C4I Ru2C C16I C17I -118.0(17) .
C1I Ru2C C16I C17I -14(3) .
C2I Ru2C C16I C17I 168.7(15) .
C15I Ru2C C16I C17I 116.2(11) .
C14I Ru2C C16I C17I 77.9(9) .
C18I Ru2C C16I C17I 36.9(8) .
Ru1C Ru2C C16I C17I 125(3) .
C4I Ru2C C16I C15I 125.8(17) .
C1I Ru2C C16I C15I -130(2) .
C2I Ru2C C16I C15I 52.5(15) .
C17I Ru2C C16I C15I -116.2(11) .
C14I Ru2C C16I C15I -38.3(7) .
C18I Ru2C C16I C15I -79.2(8) .
Ru1C Ru2C C16I C15I 9(3) .
C15I C16I C17I C22I 177(3) .
Ru2C C16I C17I C22I 113(3) .
C15I C16I C17I C18I 0(2) .
Ru2C C16I C17I C18I -64.3(14) .
C15I C16I C17I Ru2C 63.9(9) .
C4I Ru2C C17I C22I -55(2) .
C1I Ru2C C17I C22I 44.7(17) .
C2I Ru2C C17I C22I -154(3) .
C16I Ru2C C17I C22I -127.2(17) .
C15I Ru2C C17I C22I -165.3(15) .
C14I Ru2C C17I C22I 152.9(14) .
C18I Ru2C C17I C22I 116.1(13) .
Ru1C Ru2C C17I C22I 77(2) .
C4I Ru2C C17I C18I -170.7(19) .
C1I Ru2C C17I C18I -71.4(15) .
C2I Ru2C C17I C18I 90(3) .
C16I Ru2C C17I C18I 116.7(13) .
C15I Ru2C C17I C18I 78.6(10) .
C14I Ru2C C17I C18I 36.8(9) .
Ru1C Ru2C C17I C18I -39(2) .
C4I Ru2C C17I C16I 73(2) .
C1I Ru2C C17I C16I 172.0(15) .
C2I Ru2C C17I C16I -27(3) .
C15I Ru2C C17I C16I -38.1(8) .
C14I Ru2C C17I C16I -79.9(9) .
C18I Ru2C C17I C16I -116.7(13) .
Ru1C Ru2C C17I C16I -155.5(19) .
C15I C14I C18I C17I 1(2) .
Ru2C C14I C18I C17I 61.8(14) .
C15I C14I C18I C19I 180(3) .
Ru2C C14I C18I C19I -119(3) .
C15I C14I C18I Ru2C -61.1(9) .
C22I C17I C18I C14I -178(3) .
C16I C17I C18I C14I 0(2) .
Ru2C C17I C18I C14I -62.0(14) .
C22I C17I C18I C19I 3(4) .
C16I C17I C18I C19I -179(2) .
Ru2C C17I C18I C19I 119(3) .
C22I C17I C18I Ru2C -116(3) .
C16I C17I C18I Ru2C 61.8(13) .
C4I Ru2C C18I C14I 134(3) .
C1I Ru2C C18I C14I -125.9(15) .
C2I Ru2C C18I C14I -29.5(17) .
C16I Ru2C C18I C14I 79.3(9) .
C15I Ru2C C18I C14I 36.5(8) .
C17I Ru2C C18I C14I 117.0(14) .
Ru1C Ru2C C18I C14I -83.9(14) .
C4I Ru2C C18I C17I 17(3) .
C1I Ru2C C18I C17I 117.1(13) .
C2I Ru2C C18I C17I -146.5(13) .
C16I Ru2C C18I C17I -37.7(9) .
C15I Ru2C C18I C17I -80.5(10) .
C14I Ru2C C18I C17I -117.0(14) .
Ru1C Ru2C C18I C17I 159.1(12) .
C4I Ru2C C18I C19I -96(4) .
C1I Ru2C C18I C19I 4.5(16) .
C2I Ru2C C18I C19I 100.9(16) .
C16I Ru2C C18I C19I -150.3(15) .
C15I Ru2C C18I C19I 166.9(15) .
C17I Ru2C C18I C19I -112.6(13) .
C14I Ru2C C18I C19I 130.4(18) .
Ru1C Ru2C C18I C19I 46.5(16) .
C14I C18I C19I C20I -175(3) .
C17I C18I C19I C20I 3(5) .
Ru2C C18I C19I C20I 89(3) .
C18I C19I C20I C21I -5(5) .
C19I C20I C21I C22I 0(6) .
C18I C17I C22I C21I -8(5) .
C16I C17I C22I C21I 175(3) .
Ru2C C17I C22I C21I -96(4) .
C20I C21I C22I C17I 7(6) .
C25G Ru3A Ru4A C26G 2.3(16) .
C24G Ru3A Ru4A C26G -85(2) .
C23G Ru3A Ru4A C26G 79.0(17) .
C31G Ru3A Ru4A C26G -143.1(17) .
C30G Ru3A Ru4A C26G -176.6(14) .
C27G Ru3A Ru4A C26G 149(6) .
C29G Ru3A Ru4A C26G 144.8(14) .
C28G Ru3A Ru4A C26G 115.4(15) .
C25G Ru3A Ru4A C23G -76.7(15) .
C24G Ru3A Ru4A C23G -164(2) .
C31G Ru3A Ru4A C23G 137.9(16) .
C30G Ru3A Ru4A C23G 104.5(13) .
C27G Ru3A Ru4A C23G 70(6) .
C29G Ru3A Ru4A C23G 65.9(13) .
C28G Ru3A Ru4A C23G 36.4(14) .
C25G Ru3A Ru4A C24G 86.9(19) .
C23G Ru3A Ru4A C24G 164(2) .
C31G Ru3A Ru4A C24G -59(2) .
C30G Ru3A Ru4A C24G -92.0(17) .
C27G Ru3A Ru4A C24G -126(6) .
C29G Ru3A Ru4A C24G -130.6(17) .
C28G Ru3A Ru4A C24G -160.0(18) .
C25G Ru3A Ru4A C36G -151(2) .
C24G Ru3A Ru4A C36G 122(3) .
C23G Ru3A Ru4A C36G -74(3) .
C31G Ru3A Ru4A C36G 64(3) .
C30G Ru3A Ru4A C36G 30(2) .
C27G Ru3A Ru4A C36G -4(7) .
C29G Ru3A Ru4A C36G -8(2) .
C28G Ru3A Ru4A C36G -38(3) .
C25G Ru3A Ru4A C40G 135.7(12) .
C24G Ru3A Ru4A C40G 48.7(18) .
C23G Ru3A Ru4A C40G -147.7(13) .
C31G Ru3A Ru4A C40G -9.8(15) .
C30G Ru3A Ru4A C40G -43.2(10) .
C27G Ru3A Ru4A C40G -78(6) .
C29G Ru3A Ru4A C40G -81.8(11) .
C28G Ru3A Ru4A C40G -111.2(12) .
C25G Ru3A Ru4A C37G -132.9(12) .
C24G Ru3A Ru4A C37G 140.2(17) .
C23G Ru3A Ru4A C37G -56.2(13) .
C31G Ru3A Ru4A C37G 81.7(13) .
C30G Ru3A Ru4A C37G 48.2(9) .
C27G Ru3A Ru4A C37G 14(6) .
C29G Ru3A Ru4A C37G 9.6(9) .
C28G Ru3A Ru4A C37G -19.8(11) .
C25G Ru3A Ru4A C39G 160.4(11) .
C24G Ru3A Ru4A C39G 73.5(16) .
C23G Ru3A Ru4A C39G -122.9(12) .
C31G Ru3A Ru4A C39G 15.0(13) .
C30G Ru3A Ru4A C39G -18.5(8) .
C27G Ru3A Ru4A C39G -53(6) .
C29G Ru3A Ru4A C39G -57.1(8) .
C28G Ru3A Ru4A C39G -86.5(10) .
C25G Ru3A Ru4A C38G -163.3(11) .
C24G Ru3A Ru4A C38G 109.8(17) .
C23G Ru3A Ru4A C38G -86.6(12) .
C31G Ru3A Ru4A C38G 51.3(13) .
C30G Ru3A Ru4A C38G 17.8(8) .
C27G Ru3A Ru4A C38G -17(6) .
C29G Ru3A Ru4A C38G -20.8(8) .
C28G Ru3A Ru4A C38G -50.2(10) .
C26G Ru4A C23G O23G 100(4) .
C24G Ru4A C23G O23G -170(4) .
C36G Ru4A C23G O23G 5(5) .
C40G Ru4A C23G O23G -32(6) .
C37G Ru4A C23G O23G -18(4) .
C39G Ru4A C23G O23G -73(4) .
C38G Ru4A C23G O23G -53(4) .
Ru3A Ru4A C23G O23G -158(5) .
C26G Ru4A C23G Ru3A -101.8(15) .
C24G Ru4A C23G Ru3A -12.2(14) .
C36G Ru4A C23G Ru3A 163.0(7) .
C40G Ru4A C23G Ru3A 125.3(15) .
C37G Ru4A C23G Ru3A 139.8(9) .
C39G Ru4A C23G Ru3A 85.0(10) .
C38G Ru4A C23G Ru3A 104.4(8) .
C25G Ru3A C23G O23G -94(4) .
C24G Ru3A C23G O23G 172(4) .
C31G Ru3A C23G O23G 36(5) .
C30G Ru3A C23G O23G 59(4) .
C27G Ru3A C23G O23G -11(4) .
C29G Ru3A C23G O23G 35(4) .
C28G Ru3A C23G O23G 2(4) .
Ru4A Ru3A C23G O23G 160(4) .
C25G Ru3A C23G Ru4A 106.2(12) .
C24G Ru3A C23G Ru4A 12.3(14) .
C31G Ru3A C23G Ru4A -124.2(14) .
C30G Ru3A C23G Ru4A -100.7(9) .
C27G Ru3A C23G Ru4A -171.2(8) .
C29G Ru3A C23G Ru4A -125.1(10) .
C28G Ru3A C23G Ru4A -157.7(9) .
C25G Ru3A C24G O24G 92(6) .
C23G Ru3A C24G O24G 179(6) .
C31G Ru3A C24G O24G -22(6) .
C30G Ru3A C24G O24G -61(6) .
C27G Ru3A C24G O24G 3(7) .
C29G Ru3A C24G O24G -83(6) .
C28G Ru3A C24G O24G -38(9) .
Ru4A Ru3A C24G O24G -169(7) .
C25G Ru3A C24G Ru4A -99.4(14) .
C23G Ru3A C24G Ru4A -12.2(14) .
C31G Ru3A C24G Ru4A 146.8(10) .
C30G Ru3A C24G Ru4A 108.3(11) .
C27G Ru3A C24G Ru4A 171.6(9) .
C29G Ru3A C24G Ru4A 85.4(16) .
C28G Ru3A C24G Ru4A 131(3) .
C26G Ru4A C24G O24G -92(5) .
C23G Ru4A C24G O24G -178(5) .
C36G Ru4A C24G O24G 8(6) .
C40G Ru4A C24G O24G 19(5) .
C37G Ru4A C24G O24G 72(6) .
C39G Ru4A C24G O24G 54(5) .
C38G Ru4A C24G O24G 80(5) .
Ru3A Ru4A C24G O24G 170(6) .
C26G Ru4A C24G Ru3A 98.2(17) .
C23G Ru4A C24G Ru3A 12.5(15) .
C36G Ru4A C24G Ru3A -161.5(9) .
C40G Ru4A C24G Ru3A -150.8(10) .
C37G Ru4A C24G Ru3A -98.0(16) .
C39G Ru4A C24G Ru3A -115.7(11) .
C38G Ru4A C24G Ru3A -89.1(12) .
C24G Ru3A C25G O25G 72(36) .
C23G Ru3A C25G O25G -23(36) .
C31G Ru3A C25G O25G -178(100) .
C30G Ru3A C25G O25G -158(35) .
C27G Ru3A C25G O25G -152(36) .
C29G Ru3A C25G O25G -112(36) .
C28G Ru3A C25G O25G -120(36) .
Ru4A Ru3A C25G O25G 24(36) .
C23G Ru4A C26G O26G -164(20) .
C24G Ru4A C26G O26G 100(20) .
C36G Ru4A C26G O26G -39(20) .
C40G Ru4A C26G O26G -3(20) .
C37G Ru4A C26G O26G -71(20) .
C39G Ru4A C26G O26G 6(21) .
C38G Ru4A C26G O26G -65(21) .
Ru3A Ru4A C26G O26G 147(19) .
C25G Ru3A C27G C28G 107.6(14) .
C24G Ru3A C27G C28G -160(2) .
C23G Ru3A C27G C28G 24.7(16) .
C31G Ru3A C27G C28G -116.7(12) .
C30G Ru3A C27G C28G -76.2(8) .
C29G Ru3A C27G C28G -35.0(7) .
Ru4A Ru3A C27G C28G -40(6) .
C25G Ru3A C27G C31G -135.7(15) .
C24G Ru3A C27G C31G -43(2) .
C23G Ru3A C27G C31G 141.4(15) .
C30G Ru3A C27G C31G 40.4(8) .
C29G Ru3A C27G C31G 81.6(10) .
C28G Ru3A C27G C31G 116.7(12) .
Ru4A Ru3A C27G C31G 77(6) .
C31G C27G C28G C29G 2.1(16) .
Ru3A C27G C28G C29G 60.7(8) .
C31G C27G C28G Ru3A -58.6(18) .
C25G Ru3A C28G C27G -73.2(14) .
C24G Ru3A C28G C27G 56(4) .
C23G Ru3A C28G C27G -160.9(13) .
C31G Ru3A C28G C27G 38.2(8) .
C30G Ru3A C28G C27G 82.2(9) .
C29G Ru3A C28G C27G 119.2(10) .
Ru4A Ru3A C28G C27G 172.6(11) .
C25G Ru3A C28G C29G 167.6(14) .
C24G Ru3A C28G C29G -63(4) .
C23G Ru3A C28G C29G 79.9(13) .
C31G Ru3A C28G C29G -81.0(9) .
C30G Ru3A C28G C29G -37.0(8) .
C27G Ru3A C28G C29G -119.2(10) .
Ru4A Ru3A C28G C29G 53.4(12) .
C27G C28G C29G C30G -0.2(13) .
Ru3A C28G C29G C30G 58.1(16) .
C27G C28G C29G Ru3A -58.4(8) .
C25G Ru3A C29G C28G -15.9(17) .
C24G Ru3A C29G C28G 158.1(14) .
C23G Ru3A C29G C28G -102.8(12) .
C31G Ru3A C29G C28G 77.7(9) .
C30G Ru3A C29G C28G 117.4(12) .
C27G Ru3A C29G C28G 35.1(7) .
Ru4A Ru3A C29G C28G -145.6(9) .
C25G Ru3A C29G C30G -133.3(17) .
C24G Ru3A C29G C30G 40.7(16) .
C23G Ru3A C29G C30G 139.8(12) .
C31G Ru3A C29G C30G -39.7(9) .
C27G Ru3A C29G C30G -82.3(11) .
C28G Ru3A C29G C30G -117.4(12) .
Ru4A Ru3A C29G C30G 97.0(10) .
C28G C29G C30G C35G 173(3) .
Ru3A C29G C30G C35G -123(3) .
C28G C29G C30G C31G -2(3) .
Ru3A C29G C30G C31G 62(2) .
C28G C29G C30G Ru3A -64.1(13) .
C25G Ru3A C30G C35G -146(2) .
C24G Ru3A C30G C35G -19.4(16) .
C23G Ru3A C30G C35G 86.3(14) .
C31G Ru3A C30G C35G -113.1(14) .
C27G Ru3A C30G C35G -152.4(14) .
C29G Ru3A C30G C35G 132.7(18) .
C28G Ru3A C30G C35G 168.2(15) .
Ru4A Ru3A C30G C35G 32.4(15) .
C25G Ru3A C30G C31G -33(2) .
C24G Ru3A C30G C31G 93.7(13) .
C23G Ru3A C30G C31G -160.6(11) .
C27G Ru3A C30G C31G -39.3(9) .
C29G Ru3A C30G C31G -114.2(13) .
C28G Ru3A C30G C31G -78.7(10) .
Ru4A Ru3A C30G C31G 145.5(10) .
C25G Ru3A C30G C29G 82(2) .
C24G Ru3A C30G C29G -152.1(13) .
C23G Ru3A C30G C29G -46.4(13) .
C31G Ru3A C30G C29G 114.2(13) .
C27G Ru3A C30G C29G 74.9(10) .
C28G Ru3A C30G C29G 35.5(8) .
Ru4A Ru3A C30G C29G -100.3(11) .
C28G C27G C31G C32G -176(3) .
Ru3A C27G C31G C32G 117(4) .
C28G C27G C31G C30G -3(3) .
Ru3A C27G C31G C30G -71(2) .
C28G C27G C31G Ru3A 67.5(14) .
C35G C30G C31G C32G 1(5) .
C29G C30G C31G C32G 177(3) .
Ru3A C30G C31G C32G -113(3) .
C35G C30G C31G C27G -173(3) .
C29G C30G C31G C27G 3(3) .
Ru3A C30G C31G C27G 73(2) .
C35G C30G C31G Ru3A 114(3) .
C29G C30G C31G Ru3A -70.2(19) .
C25G Ru3A C31G C32G -82.9(16) .
C24G Ru3A C31G C32G 18.4(17) .
C23G Ru3A C31G C32G 152.8(19) .
C30G Ru3A C31G C32G 116.5(13) .
C27G Ru3A C31G C32G -131.4(17) .
C29G Ru3A C31G C32G 153.8(13) .
C28G Ru3A C31G C32G -166.9(14) .
Ru4A Ru3A C31G C32G 60.1(18) .
C25G Ru3A C31G C27G 48.5(16) .
C24G Ru3A C31G C27G 149.9(15) .
C23G Ru3A C31G C27G -76(2) .
C30G Ru3A C31G C27G -112.1(13) .
C29G Ru3A C31G C27G -74.7(9) .
C28G Ru3A C31G C27G -35.4(8) .
Ru4A Ru3A C31G C27G -168.4(13) .
C25G Ru3A C31G C30G 160.6(13) .
C24G Ru3A C31G C30G -98.0(14) .
C23G Ru3A C31G C30G 36(2) .
C27G Ru3A C31G C30G 112.1(13) .
C29G Ru3A C31G C30G 37.4(8) .
C28G Ru3A C31G C30G 76.7(9) .
Ru4A Ru3A C31G C30G -56.3(15) .
C27G C31G C32G C33G -178(3) .
C30G C31G C32G C33G 10(5) .
Ru3A C31G C32G C33G -78(4) .
C31G C32G C33G C34G -17(6) .
C32G C33G C34G C35G 13(6) .
C31G C30G C35G C34G -5(5) .
C29G C30G C35G C34G -180(3) .
Ru3A C30G C35G C34G 75(3) .
C33G C34G C35G C30G -1(5) .
C26G Ru4A C36G C40G 115.3(15) .
C23G Ru4A C36G C40G -155.3(13) .
C24G Ru4A C36G C40G 17(2) .
C37G Ru4A C36G C40G -114.8(11) .
C39G Ru4A C36G C40G -37.7(7) .
C38G Ru4A C36G C40G -77.7(8) .
Ru3A Ru4A C36G C40G -92(3) .
C26G Ru4A C36G C37G -129.9(15) .
C23G Ru4A C36G C37G -40.5(14) .
C24G Ru4A C36G C37G 132(2) .
C40G Ru4A C36G C37G 114.8(11) .
C39G Ru4A C36G C37G 77.1(7) .
C38G Ru4A C36G C37G 37.1(6) .
Ru3A Ru4A C36G C37G 23(3) .
C40G C36G C37G C38G 0.1(13) .
Ru4A C36G C37G C38G -66.5(7) .
C40G C36G C37G Ru4A 66.6(14) .
C26G Ru4A C37G C38G 175.5(16) .
C23G Ru4A C37G C38G -96.9(11) .
C24G Ru4A C37G C38G 14.0(19) .
C36G Ru4A C37G C38G 115.3(9) .
C40G Ru4A C37G C38G 76.3(7) .
C39G Ru4A C37G C38G 34.6(7) .
Ru3A Ru4A C37G C38G -57.4(9) .
C26G Ru4A C37G C36G 60.2(17) .
C23G Ru4A C37G C36G 147.8(11) .
C24G Ru4A C37G C36G -101.3(18) .
C40G Ru4A C37G C36G -39.0(7) .
C39G Ru4A C37G C36G -80.7(8) .
C38G Ru4A C37G C36G -115.3(9) .
Ru3A Ru4A C37G C36G -172.7(8) .
C36G C37G C38G C39G 0.2(12) .
Ru4A C37G C38G C39G -59.7(13) .
C36G C37G C38G Ru4A 59.9(7) .
C26G Ru4A C38G C39G 112(3) .
C23G Ru4A C38G C39G -152.4(10) .
C24G Ru4A C38G C39G -51.8(11) .
C36G Ru4A C38G C39G 81.3(10) .
C40G Ru4A C38G C39G 37.5(8) .
C37G Ru4A C38G C39G 120.5(11) .
Ru3A Ru4A C38G C39G -102.2(9) .
C26G Ru4A C38G C37G -9(3) .
C23G Ru4A C38G C37G 87.1(10) .
C24G Ru4A C38G C37G -172.3(10) .
C36G Ru4A C38G C37G -39.2(7) .
C40G Ru4A C38G C37G -83.0(8) .
C39G Ru4A C38G C37G -120.5(11) .
Ru3A Ru4A C38G C37G 137.3(8) .
C37G C38G C39G C40G 0(2) .
Ru4A C38G C39G C40G -58.4(16) .
C37G C38G C39G C44G 180(2) .
Ru4A C38G C39G C44G 122(3) .
C37G C38G C39G Ru4A 58.0(10) .
C26G Ru4A C39G C38G -132(2) .
C23G Ru4A C39G C38G 35.4(13) .
C24G Ru4A C39G C38G 134.7(12) .
C36G Ru4A C39G C38G -78.3(9) .
C40G Ru4A C39G C38G -117.4(13) .
C37G Ru4A C39G C38G -35.2(8) .
Ru3A Ru4A C39G C38G 89.4(9) .
C26G Ru4A C39G C40G -15(3) .
C23G Ru4A C39G C40G 152.9(10) .
C24G Ru4A C39G C40G -107.9(11) .
C36G Ru4A C39G C40G 39.1(8) .
C37G Ru4A C39G C40G 82.2(9) .
C38G Ru4A C39G C40G 117.4(13) .
Ru3A Ru4A C39G C40G -153.2(8) .
C26G Ru4A C39G C44G 95(3) .
C23G Ru4A C39G C44G -97.0(12) .
C24G Ru4A C39G C44G 2.2(13) .
C36G Ru4A C39G C44G 149.3(13) .
C40G Ru4A C39G C44G 110.1(12) .
C37G Ru4A C39G C44G -167.7(13) .
C38G Ru4A C39G C44G -132.5(16) .
Ru3A Ru4A C39G C44G -43.1(11) .
C37G C36G C40G C41G 174(3) .
Ru4A C36G C40G C41G -117(3) .
C37G C36G C40G C39G 0(2) .
Ru4A C36G C40G C39G 68.3(17) .
C37G C36G C40G Ru4A -68.7(11) .
C38G C39G C40G C41G -175(2) .
C44G C39G C40G C41G 5(4) .
Ru4A C39G C40G C41G 122(2) .
C38G C39G C40G C36G 0(3) .
C44G C39G C40G C36G -180(2) .
Ru4A C39G C40G C36G -62.9(16) .
C38G C39G C40G Ru4A 63.3(15) .
C44G C39G C40G Ru4A -117(2) .
C26G Ru4A C40G C41G 53.8(18) .
C23G Ru4A C40G C41G -177.5(19) .
C24G Ru4A C40G C41G -40.9(16) .
C36G Ru4A C40G C41G 127.4(16) .
C37G Ru4A C40G C41G 166.0(13) .
C39G Ru4A C40G C41G -117.4(14) .
C38G Ru4A C40G C41G -153.3(13) .
Ru3A Ru4A C40G C41G -75.6(14) .
C26G Ru4A C40G C36G -73.6(16) .
C23G Ru4A C40G C36G 55(2) .
C24G Ru4A C40G C36G -168.3(14) .
C37G Ru4A C40G C36G 38.6(8) .
C39G Ru4A C40G C36G 115.2(12) .
C38G Ru4A C40G C36G 79.3(9) .
Ru3A Ru4A C40G C36G 157.0(10) .
C26G Ru4A C40G C39G 171.2(15) .
C23G Ru4A C40G C39G -60(2) .
C24G Ru4A C40G C39G 76.5(14) .
C36G Ru4A C40G C39G -115.2(12) .
C37G Ru4A C40G C39G -76.6(9) .
C38G Ru4A C40G C39G -35.9(8) .
Ru3A Ru4A C40G C39G 41.8(12) .
C36G C40G C41G C42G 174(2) .
C39G C40G C41G C42G -13(4) .
Ru4A C40G C41G C42G 82(2) .
C40G C41G C42G C43G 16(4) .
C41G C42G C43G C44G -12(4) .
C42G C43G C44G C39G 4(4) .
C38G C39G C44G C43G 179(3) .
C40G C39G C44G C43G -1(4) .
Ru4A C39G C44G C43G -81(3) .
C25H Ru3B Ru4B C26H 7.6(17) .
C24H Ru3B Ru4B C26H 89.9(18) .
C27H Ru3B Ru4B C26H 164(4) .
C23H Ru3B Ru4B C26H -78(2) .
C28H Ru3B Ru4B C26H -123.6(15) .
C31H Ru3B Ru4B C26H 140.5(14) .
C29H Ru3B Ru4B C26H -152.8(14) .
C30H Ru3B Ru4B C26H 170.2(13) .
C25H Ru3B Ru4B C23H 86(2) .
C24H Ru3B Ru4B C23H 168(2) .
C27H Ru3B Ru4B C23H -117(4) .
C28H Ru3B Ru4B C23H -45(2) .
C31H Ru3B Ru4B C23H -141(2) .
C29H Ru3B Ru4B C23H -74(2) .
C30H Ru3B Ru4B C23H -111.4(19) .
C25H Ru3B Ru4B C24H -82.3(18) .
C27H Ru3B Ru4B C24H 74(4) .
C23H Ru3B Ru4B C24H -168(2) .
C28H Ru3B Ru4B C24H 146.5(16) .
C31H Ru3B Ru4B C24H 50.6(16) .
C29H Ru3B Ru4B C24H 117.3(15) .
C30H Ru3B Ru4B C24H 80.3(15) .
C25H Ru3B Ru4B C36H 145(2) .
C24H Ru3B Ru4B C36H -133(2) .
C27H Ru3B Ru4B C36H -58(4) .
C23H Ru3B Ru4B C36H 59(2) .
C28H Ru3B Ru4B C36H 13.8(19) .
C31H Ru3B Ru4B C36H -82.1(18) .
C29H Ru3B Ru4B C36H -15.4(17) .
C30H Ru3B Ru4B C36H -52.4(17) .
C25H Ru3B Ru4B C40H -128.3(16) .
C24H Ru3B Ru4B C40H -46.0(17) .
C27H Ru3B Ru4B C40H 28(4) .
C23H Ru3B Ru4B C40H 146(2) .
C28H Ru3B Ru4B C40H 100.4(13) .
C31H Ru3B Ru4B C40H 4.5(13) .
C29H Ru3B Ru4B C40H 71.3(12) .
C30H Ru3B Ru4B C40H 34.3(11) .
C25H Ru3B Ru4B C37H 144.4(14) .
C24H Ru3B Ru4B C37H -133.3(15) .
C27H Ru3B Ru4B C37H -59(4) .
C23H Ru3B Ru4B C37H 58.4(19) .
C28H Ru3B Ru4B C37H 13.2(11) .
C31H Ru3B Ru4B C37H -82.7(10) .
C29H Ru3B Ru4B C37H -16.0(9) .
C30H Ru3B Ru4B C37H -53.0(8) .
C25H Ru3B Ru4B C38H 176.8(13) .
C24H Ru3B Ru4B C38H -100.9(15) .
C27H Ru3B Ru4B C38H -27(4) .
C23H Ru3B Ru4B C38H 90.8(19) .
C28H Ru3B Ru4B C38H 45.6(10) .
C31H Ru3B Ru4B C38H -50.3(9) .
C29H Ru3B Ru4B C38H 16.5(8) .
C30H Ru3B Ru4B C38H -20.6(7) .
C25H Ru3B Ru4B C39H -147.3(13) .
C24H Ru3B Ru4B C39H -65.0(15) .
C27H Ru3B Ru4B C39H 9(4) .
C23H Ru3B Ru4B C39H 126.7(19) .
C28H Ru3B Ru4B C39H 81.5(10) .
C31H Ru3B Ru4B C39H -14.4(9) .
C29H Ru3B Ru4B C39H 52.4(8) .
C30H Ru3B Ru4B C39H 15.3(7) .
C26H Ru4B C23H O23H -97(5) .
C24H Ru4B C23H O23H 170(5) .
C36H Ru4B C23H O23H 1(5) .
C40H Ru4B C23H O23H 26(7) .
C37H Ru4B C23H O23H 26(5) .
C38H Ru4B C23H O23H 61(5) .
C39H Ru4B C23H O23H 77(5) .
Ru3B Ru4B C23H O23H 162(6) .
C26H Ru4B C23H Ru3B 101.6(18) .
C24H Ru4B C23H Ru3B 8.2(16) .
C36H Ru4B C23H Ru3B -160.7(8) .
C40H Ru4B C23H Ru3B -135.8(16) .
C37H Ru4B C23H Ru3B -135.7(13) .
C38H Ru4B C23H Ru3B -100.5(13) .
C39H Ru4B C23H Ru3B -85.0(16) .
C25H Ru3B C23H O23H 106(5) .
C24H Ru3B C23H O23H -169(5) .
C27H Ru3B C23H O23H 5(6) .
C28H Ru3B C23H O23H -10(5) .
C31H Ru3B C23H O23H -63(6) .
C29H Ru3B C23H O23H -46(5) .
C30H Ru3B C23H O23H -73(5) .
Ru4B Ru3B C23H O23H -160(6) .
C25H Ru3B C23H Ru4B -93.2(18) .
C24H Ru3B C23H Ru4B -8.3(16) .
C27H Ru3B C23H Ru4B 165.0(10) .
C28H Ru3B C23H Ru4B 150.4(13) .
C31H Ru3B C23H Ru4B 97.5(17) .
C29H Ru3B C23H Ru4B 114.2(14) .
C30H Ru3B C23H Ru4B 87.6(15) .
C25H Ru3B C24H O24H -66(4) .
C27H Ru3B C24H O24H 33(5) .
C23H Ru3B C24H O24H -153(4) .
C28H Ru3B C24H O24H 92(5) .
C31H Ru3B C24H O24H 54(4) .
C29H Ru3B C24H O24H 114(4) .
C30H Ru3B C24H O24H 90(4) .
Ru4B Ru3B C24H O24H -161(5) .
C25H Ru3B C24H Ru4B 95.8(15) .
C27H Ru3B C24H Ru4B -166.0(9) .
C23H Ru3B C24H Ru4B 8.2(16) .
C28H Ru3B C24H Ru4B -107(2) .
C31H Ru3B C24H Ru4B -144.6(10) .
C29H Ru3B C24H Ru4B -84.9(13) .
C30H Ru3B C24H Ru4B -109.0(11) .
C26H Ru4B C24H O24H 71(3) .
C23H Ru4B C24H O24H 156(3) .
C36H Ru4B C24H O24H -41(4) .
C40H Ru4B C24H O24H -40(3) .
C37H Ru4B C24H O24H -105(3) .
C38H Ru4B C24H O24H -103(3) .
C39H Ru4B C24H O24H -71(3) .
Ru3B Ru4B C24H O24H 164(4) .
C26H Ru4B C24H Ru3B -93.6(15) .
C23H Ru4B C24H Ru3B -8.5(17) .
C36H Ru4B C24H Ru3B 154.6(11) .
C40H Ru4B C24H Ru3B 155.9(9) .
C37H Ru4B C24H Ru3B 90.5(15) .
C38H Ru4B C24H Ru3B 93.2(11) .
C39H Ru4B C24H Ru3B 124.9(11) .
C24H Ru3B C25H O25H -166(10) .
C27H Ru3B C25H O25H 64(10) .
C23H Ru3B C25H O25H -76(10) .
C28H Ru3B C25H O25H 24(10) .
C31H Ru3B C25H O25H 98(9) .
C29H Ru3B C25H O25H 15(12) .
C30H Ru3B C25H O25H 102(10) .
Ru4B Ru3B C25H O25H -121(10) .
C23H Ru4B C26H O26H -119(75) .
C24H Ru4B C26H O26H -29(75) .
C36H Ru4B C26H O26H 119(74) .
C40H Ru4B C26H O26H 83(75) .
C37H Ru4B C26H O26H 148(74) .
C38H Ru4B C26H O26H 134(73) .
C39H Ru4B C26H O26H 68(75) .
Ru3B Ru4B C26H O26H -74(74) .
C25H Ru3B C27H C31H 127.4(15) .
C24H Ru3B C27H C31H 35.8(18) .
C23H Ru3B C27H C31H -135(2) .
C28H Ru3B C27H C31H -113.0(11) .
C29H Ru3B C27H C31H -75.2(9) .
C30H Ru3B C27H C31H -35.4(8) .
Ru4B Ru3B C27H C31H -29(5) .
C25H Ru3B C27H C28H -119.7(15) .
C24H Ru3B C27H C28H 148.8(16) .
C23H Ru3B C27H C28H -22(2) .
C31H Ru3B C27H C28H 113.0(11) .
C29H Ru3B C27H C28H 37.8(7) .
C30H Ru3B C27H C28H 77.6(8) .
Ru4B Ru3B C27H C28H 84(4) .
C31H C27H C28H C29H -0.5(14) .
Ru3B C27H C28H C29H -72.6(8) .
C31H C27H C28H Ru3B 72.1(17) .
C25H Ru3B C28H C29H -173.4(16) .
C24H Ru3B C28H C29H 32(3) .
C27H Ru3B C28H C29H 113.5(10) .
C23H Ru3B C28H C29H -81.1(15) .
C31H Ru3B C28H C29H 74.3(8) .
C30H Ru3B C28H C29H 34.4(8) .
Ru4B Ru3B C28H C29H -50.6(11) .
C25H Ru3B C28H C27H 73.1(16) .
C24H Ru3B C28H C27H -82(3) .
C23H Ru3B C28H C27H 165.5(15) .
C31H Ru3B C28H C27H -39.1(7) .
C29H Ru3B C28H C27H -113.5(10) .
C30H Ru3B C28H C27H -79.0(8) .
Ru4B Ru3B C28H C27H -164.0(10) .
C27H C28H C29H C30H 1.7(16) .
Ru3B C28H C29H C30H -61.0(18) .
C27H C28H C29H Ru3B 62.7(8) .
C25H Ru3B C29H C28H 13(3) .
C24H Ru3B C29H C28H -165.7(11) .
C27H Ru3B C29H C28H -42.4(8) .
C23H Ru3B C29H C28H 103.2(12) .
C31H Ru3B C29H C28H -85.8(9) .
C30H Ru3B C29H C28H -120.6(14) .
Ru4B Ru3B C29H C28H 146.0(9) .
C25H Ru3B C29H C30H 133(3) .
C24H Ru3B C29H C30H -45.0(14) .
C27H Ru3B C29H C30H 78.2(12) .
C23H Ru3B C29H C30H -136.2(13) .
C28H Ru3B C29H C30H 120.6(14) .
C31H Ru3B C29H C30H 34.8(11) .
Ru4B Ru3B C29H C30H -93.4(11) .
C28H C29H C30H C35H -179(3) .
Ru3B C29H C30H C35H 129(4) .
C28H C29H C30H C31H -2(3) .
Ru3B C29H C30H C31H -55(2) .
C28H C29H C30H Ru3B 52.8(12) .
C25H Ru3B C30H C35H 102(4) .
C24H Ru3B C30H C35H 12.5(15) .
C27H Ru3B C30H C35H 146.5(15) .
C23H Ru3B C30H C35H -79.6(14) .
C28H Ru3B C30H C35H -166.5(16) .
C31H Ru3B C30H C35H 108.4(16) .
C29H Ru3B C30H C35H -131(2) .
Ru4B Ru3B C30H C35H -32.2(14) .
C25H Ru3B C30H C31H -6(4) .
C24H Ru3B C30H C31H -95.9(12) .
C27H Ru3B C30H C31H 38.2(11) .
C23H Ru3B C30H C31H 172.0(11) .
C28H Ru3B C30H C31H 85.2(13) .
C29H Ru3B C30H C31H 121.0(17) .
Ru4B Ru3B C30H C31H -140.5(11) .
C25H Ru3B C30H C29H -127(3) .
C24H Ru3B C30H C29H 143.2(12) .
C27H Ru3B C30H C29H -82.8(12) .
C23H Ru3B C30H C29H 51.0(14) .
C28H Ru3B C30H C29H -35.8(10) .
C31H Ru3B C30H C29H -121.0(17) .
Ru4B Ru3B C30H C29H 98.5(11) .
C28H C27H C31H C32H 177(3) .
Ru3B C27H C31H C32H -116(3) .
C28H C27H C31H C30H -1(3) .
Ru3B C27H C31H C30H 66(2) .
C28H C27H C31H Ru3B -66.8(12) .
C35H C30H C31H C27H 179(3) .
C29H C30H C31H C27H 2(3) .
Ru3B C30H C31H C27H -55.5(18) .
C35H C30H C31H C32H 1(5) .
C29H C30H C31H C32H -176(3) .
Ru3B C30H C31H C32H 127(3) .
C35H C30H C31H Ru3B -125(3) .
C29H C30H C31H Ru3B 57(2) .
C25H Ru3B C31H C27H -64.8(18) .
C24H Ru3B C31H C27H -153.5(13) .
C23H Ru3B C31H C27H 102.8(18) .
C28H Ru3B C31H C27H 42.2(9) .
C29H Ru3B C31H C27H 83.5(10) .
C30H Ru3B C31H C27H 118.1(16) .
Ru4B Ru3B C31H C27H 172.9(11) .
C25H Ru3B C31H C32H 57(2) .
C24H Ru3B C31H C32H -31.9(15) .
C27H Ru3B C31H C32H 121.6(17) .
C23H Ru3B C31H C32H -135.6(17) .
C28H Ru3B C31H C32H 163.7(15) .
C29H Ru3B C31H C32H -154.9(15) .
C30H Ru3B C31H C32H -120.3(18) .
Ru4B Ru3B C31H C32H -65.5(15) .
C25H Ru3B C31H C30H 177.1(17) .
C24H Ru3B C31H C30H 88.4(14) .
C27H Ru3B C31H C30H -118.1(16) .
C23H Ru3B C31H C30H -15(2) .
C28H Ru3B C31H C30H -76.0(12) .
C29H Ru3B C31H C30H -34.6(11) .
Ru4B Ru3B C31H C30H 54.8(14) .
C27H C31H C32H C33H -177(3) .
C30H C31H C32H C33H 0(5) .
Ru3B C31H C32H C33H 100(3) .
C31H C32H C33H C34H -6(5) .
C32H C33H C34H C35H 10(5) .
C33H C34H C35H C30H -8(5) .
C31H C30H C35H C34H 3(5) .
C29H C30H C35H C34H 179(3) .
Ru3B C30H C35H C34H -79(3) .
C26H Ru4B C36H C37H 136.1(15) .
C23H Ru4B C36H C37H 46.2(18) .
C24H Ru4B C36H C37H -114(2) .
C40H Ru4B C36H C37H -115.7(11) .
C38H Ru4B C36H C37H -37.3(7) .
C39H Ru4B C36H C37H -78.4(8) .
Ru3B Ru4B C36H C37H -1(2) .
C26H Ru4B C36H C40H -108.2(15) .
C23H Ru4B C36H C40H 162.0(18) .
C24H Ru4B C36H C40H 2(2) .
C37H Ru4B C36H C40H 115.7(11) .
C38H Ru4B C36H C40H 78.4(9) .
C39H Ru4B C36H C40H 37.3(8) .
Ru3B Ru4B C36H C40H 114.9(17) .
C40H C36H C37H C38H 0.4(14) .
Ru4B C36H C37H C38H 64.7(7) .
C40H C36H C37H Ru4B -64.3(16) .
C26H Ru4B C37H C38H -170.6(16) .
C23H Ru4B C37H C38H 102.0(14) .
C24H Ru4B C37H C38H 4.5(15) .
C36H Ru4B C37H C38H -115.9(9) .
C40H Ru4B C37H C38H -78.0(8) .
C39H Ru4B C37H C38H -36.8(7) .
Ru3B Ru4B C37H C38H 63.7(9) .
C26H Ru4B C37H C36H -54.7(17) .
C23H Ru4B C37H C36H -142.0(14) .
C24H Ru4B C37H C36H 120.5(14) .
C40H Ru4B C37H C36H 37.9(7) .
C38H Ru4B C37H C36H 115.9(9) .
C39H Ru4B C37H C36H 79.2(8) .
Ru3B Ru4B C37H C36H 179.6(8) .
C36H C37H C38H C39H 1.0(15) .
Ru4B C37H C38H C39H 64.3(16) .
C36H C37H C38H Ru4B -63.3(7) .
C26H Ru4B C38H C37H 21(4) .
C23H Ru4B C38H C37H -83.0(10) .
C24H Ru4B C38H C37H -177.2(10) .
C36H Ru4B C38H C37H 37.8(7) .
C40H Ru4B C38H C37H 80.1(8) .
C39H Ru4B C38H C37H 116.9(12) .
Ru3B Ru4B C38H C37H -130.6(8) .
C26H Ru4B C38H C39H -96(3) .
C23H Ru4B C38H C39H 160.1(12) .
C24H Ru4B C38H C39H 65.9(12) .
C36H Ru4B C38H C39H -79.2(10) .
C40H Ru4B C38H C39H -36.9(9) .
C37H Ru4B C38H C39H -116.9(12) .
Ru3B Ru4B C38H C39H 112.5(10) .
C37H C38H C39H C40H -2(3) .
Ru4B C38H C39H C40H 61(2) .
C37H C38H C39H C44H 180(3) .
Ru4B C38H C39H C44H -117(4) .
C37H C38H C39H Ru4B -63.0(11) .
C26H Ru4B C39H C40H 25(2) .
C23H Ru4B C39H C40H -144.5(11) .
C24H Ru4B C39H C40H 123.0(11) .
C36H Ru4B C39H C40H -38.1(9) .
C37H Ru4B C39H C40H -80.1(10) .
C38H Ru4B C39H C40H -117.2(14) .
Ru3B Ru4B C39H C40H 162.5(9) .
C26H Ru4B C39H C38H 142(2) .
C23H Ru4B C39H C38H -27.3(15) .
C24H Ru4B C39H C38H -119.8(12) .
C36H Ru4B C39H C38H 79.0(10) .
C40H Ru4B C39H C38H 117.2(14) .
C37H Ru4B C39H C38H 37.1(8) .
Ru3B Ru4B C39H C38H -80.3(11) .
C26H Ru4B C39H C44H -88(2) .
C23H Ru4B C39H C44H 103.0(12) .
C24H Ru4B C39H C44H 10.5(13) .
C36H Ru4B C39H C44H -150.7(13) .
C40H Ru4B C39H C44H -112.5(12) .
C37H Ru4B C39H C44H 167.4(13) .
C38H Ru4B C39H C44H 130.3(17) .
Ru3B Ru4B C39H C44H 50.0(11) .
C38H C39H C40H C41H -178(3) .
C44H C39H C40H C41H 1(5) .
Ru4B C39H C40H C41H -115(3) .
C38H C39H C40H C36H 2(3) .
C44H C39H C40H C36H -179(3) .
Ru4B C39H C40H C36H 64.5(18) .
C38H C39H C40H Ru4B -62.2(19) .
C44H C39H C40H Ru4B 116(3) .
C37H C36H C40H C41H 178(3) .
Ru4B C36H C40H C41H 113(3) .
C37H C36H C40H C39H -2(3) .
Ru4B C36H C40H C39H -67(2) .
C37H C36H C40H Ru4B 64.9(11) .
C26H Ru4B C40H C41H -43.2(17) .
C23H Ru4B C40H C41H -161(3) .
C24H Ru4B C40H C41H 57.5(14) .
C36H Ru4B C40H C41H -123.7(15) .
C37H Ru4B C40H C41H -161.4(12) .
C38H Ru4B C40H C41H 157.3(12) .
C39H Ru4B C40H C41H 120.6(13) .
Ru3B Ru4B C40H C41H 90.0(15) .
C26H Ru4B C40H C39H -163.8(16) .
C23H Ru4B C40H C39H 78(3) .
C24H Ru4B C40H C39H -63.1(13) .
C36H Ru4B C40H C39H 115.7(14) .
C37H Ru4B C40H C39H 78.0(10) .
C38H Ru4B C40H C39H 36.7(9) .
Ru3B Ru4B C40H C39H -30.6(15) .
C26H Ru4B C40H C36H 80.5(16) .
C23H Ru4B C40H C36H -37(3) .
C24H Ru4B C40H C36H -178.8(13) .
C37H Ru4B C40H C36H -37.6(8) .
C38H Ru4B C40H C36H -79.0(9) .
C39H Ru4B C40H C36H -115.7(14) .
Ru3B Ru4B C40H C36H -146.3(11) .
C39H C40H C41H C42H -2(5) .
C36H C40H C41H C42H 178(3) .
Ru4B C40H C41H C42H -93(3) .
C40H C41H C42H C43H 3(5) .
C41H C42H C43H C44H -3(4) .
C42H C43H C44H C39H 2(4) .
C40H C39H C44H C43H -1(4) .
C38H C39H C44H C43H 177(3) .
Ru4B C39H C44H C43H 82(3) .
