#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:37:18 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258884 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/91/1559147.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_1559147
loop_
_publ_author_name
'Baldauf, Lilia M.'
'Ghiassi, Kamran B.'
'Olmstead, Marilyn M.'
'Balch, Alan L.'
_publ_section_title
;
 Fullerene nanostructures: how the oblong shape of C₇₀ forms a
 cocrystal with an enormous asymmetric unit and related cocrystals.
;
_journal_issue                   39
_journal_name_full               Nanoscale
_journal_page_first              20356
_journal_page_last               20363
_journal_paper_doi               10.1039/d0nr05824f
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety         '(C70), (C36 H44 N4 Ni), 1.5(C8 H10)'
_chemical_formula_sum            'C118 H59 N4 Ni'
_chemical_formula_weight         1591.40
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-07-21 deposited with the CCDC.	2020-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                102.301(2)
_cell_angle_beta                 92.802(2)
_cell_angle_gamma                101.834(2)
_cell_formula_units_Z            24
_cell_length_a                   35.187(4)
_cell_length_b                   35.564(4)
_cell_length_c                   35.852(4)
_cell_measurement_reflns_used    9743
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.5
_cell_volume                     42702(8)
_computing_cell_refinement       'SAINT (Bruker, 2017)'
_computing_data_collection       'Apex3 (Bruker, 2017)'
_computing_data_reduction        'SAINT (Bruker, 2017)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 DUO'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.1211
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            522801
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.537
_diffrn_reflns_theta_min         1.253
_diffrn_source                   microsource
_exptl_absorpt_coefficient_mu    0.340
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2012)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_description       plate
_exptl_crystal_F_000             19752
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_refine_diff_density_max         3.064
_refine_diff_density_min         -1.014
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     11934
_refine_ls_number_reflns         176272
_refine_ls_number_restraints     3186
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.2141
_refine_ls_R_factor_gt           0.1084
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1678P)²+122.3465P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2812
_refine_ls_wR_factor_ref         0.3642
_reflns_Friedel_coverage         0.000
_reflns_number_gt                80841
_reflns_number_total             176272
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nr05824f1.cif
_cod_data_source_block           lb33_tw
_cod_depositor_comments
'Adding full bibliography for 1559144--1559147.cif.'
_cod_database_code               1559147
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.905
_shelx_estimated_absorpt_t_max   0.980
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1_1 C 0.1222(2) -0.4325(2) 0.00585(19) 0.0295(16) Uani 1 1 d . . . A 1
C2_1 C 0.0923(2) -0.45313(18) 0.0239(2) 0.0281(16) Uani 1 1 d . . . A 1
C3_1 C 0.1004(2) -0.44903(19) 0.06440(19) 0.0265(15) Uani 1 1 d . . . A 1
C4_1 C 0.1327(2) -0.4200(2) 0.0859(2) 0.0300(16) Uani 1 1 d . . . A 1
C5_1 C 0.15776(19) -0.3942(2) 0.0681(2) 0.0287(15) Uani 1 1 d . . . A 1
C6_1 C 0.1544(2) -0.4033(2) 0.0282(2) 0.0311(16) Uani 1 1 d . . . A 1
C7_1 C 0.16588(19) -0.3730(2) 0.00636(19) 0.0268(15) Uani 1 1 d . . . A 1
C8_1 C 0.1405(2) -0.3837(2) -0.0293(2) 0.0322(16) Uani 1 1 d . . . A 1
C9_1 C 0.1133(2) -0.4203(2) -0.02875(19) 0.0294(16) Uani 1 1 d . . . A 1
C10_1 C 0.0743(2) -0.42656(19) -0.04377(17) 0.0271(15) Uani 1 1 d . . . A 1
C11_1 C 0.0438(2) -0.44507(19) -0.02411(19) 0.0291(16) Uani 1 1 d . . . A 1
C12_1 C 0.0517(2) -0.45955(17) 0.00871(19) 0.0271(15) Uani 1 1 d . . . A 1
C13_1 C 0.02253(19) -0.46219(17) 0.03444(19) 0.0234(14) Uani 1 1 d . . . A 1
C14_1 C 0.0318(2) -0.46111(19) 0.0744(2) 0.0304(16) Uani 1 1 d . . . A 1
C15_1 C 0.0699(2) -0.45460(19) 0.0893(2) 0.0306(16) Uani 1 1 d . . . A 1
C16_1 C 0.0832(2) -0.4287(2) 0.1267(2) 0.0303(16) Uani 1 1 d . . . A 1
C17_1 C 0.1218(2) -0.4075(2) 0.12403(19) 0.0293(16) Uani 1 1 d . . . A 1
C18_1 C 0.1344(2) -0.3680(2) 0.14318(19) 0.0329(17) Uani 1 1 d . . . A 1
C19_1 C 0.15701(19) -0.3404(2) 0.12495(19) 0.0281(15) Uani 1 1 d . . . A 1
C20_1 C 0.17086(19) -0.3523(2) 0.0890(2) 0.0291(15) Uani 1 1 d . . . A 1
C21_1 C 0.17879(18) -0.3232(2) 0.0669(2) 0.0285(15) Uani 1 1 d . . . A 1
C22_1 C 0.17746(19) -0.3335(2) 0.0257(2) 0.0319(16) Uani 1 1 d . . . A 1
C23_1 C 0.1642(2) -0.3032(2) 0.0100(2) 0.0319(16) Uani 1 1 d . . . A 1
C24_1 C 0.1402(2) -0.3138(2) -0.0240(2) 0.0331(17) Uani 1 1 d . . . A 1
C25_1 C 0.1274(2) -0.3549(2) -0.04392(19) 0.0301(16) Uani 1 1 d . . . A 1
C26_1 C 0.0876(2) -0.3610(2) -0.05929(17) 0.0310(16) Uani 1 1 d . . . A 1
C27_1 C 0.0616(2) -0.3963(2) -0.05889(18) 0.0305(16) Uani 1 1 d . . . A 1
C28_1 C 0.0225(2) -0.3963(2) -0.04823(18) 0.0291(16) Uani 1 1 d . . . A 1
C29_1 C 0.01132(19) -0.42698(19) -0.02686(19) 0.0275(15) Uani 1 1 d . . . A 1
C30_1 C -0.01373(19) -0.42290(19) 0.00238(19) 0.0281(15) Uani 1 1 d . . . A 1
C31_1 C -0.0100(2) -0.44375(19) 0.0314(2) 0.0299(16) Uani 1 1 d . . . A 1
C32_1 C -0.02114(19) -0.4320(2) 0.0692(2) 0.0318(16) Uani 1 1 d . . . A 1
C33_1 C 0.0041(2) -0.44223(19) 0.0964(2) 0.0308(16) Uani 1 1 d . . . A 1
C34_1 C 0.0171(2) -0.4169(2) 0.1326(2) 0.0321(17) Uani 1 1 d . . . A 1
C35_1 C 0.0571(2) -0.4109(2) 0.14758(19) 0.0325(17) Uani 1 1 d . . . A 1
C36_1 C 0.0699(2) -0.3697(2) 0.16751(19) 0.0346(17) Uani 1 1 d . . . A 1
C37_1 C 0.1072(2) -0.3490(2) 0.16567(19) 0.0348(17) Uani 1 1 d . . . A 1
C38_1 C 0.1132(2) -0.3091(2) 0.16016(19) 0.0300(16) Uani 1 1 d . . . A 1
C39_1 C 0.1446(2) -0.30374(19) 0.13546(19) 0.0286(15) Uani 1 1 d . . . A 1
C40_1 C 0.14493(19) -0.27845(19) 0.10971(19) 0.0276(15) Uani 1 1 d . . . A 1
C41_1 C 0.16681(18) -0.2871(2) 0.0775(2) 0.0290(16) Uani 1 1 d . . . A 1
C42_1 C 0.1575(2) -0.2745(2) 0.0423(2) 0.0312(16) Uani 1 1 d . . . A 1
C43_1 C 0.1254(2) -0.25692(19) 0.0395(2) 0.0306(16) Uani 1 1 d . . . A 1
C44_1 C 0.1003(2) -0.2673(2) 0.0040(2) 0.0300(16) Uani 1 1 d . . . A 1
C45_1 C 0.1073(2) -0.2950(2) -0.0270(2) 0.0322(16) Uani 1 1 d . . . A 1
C46_1 C 0.0748(2) -0.3245(2) -0.04878(18) 0.0282(15) Uani 1 1 d . . . A 1
C47_1 C 0.0373(2) -0.32437(19) -0.03813(19) 0.0290(16) Uani 1 1 d . . . A 1
C48_1 C 0.0101(2) -0.3615(2) -0.03838(18) 0.0289(16) Uani 1 1 d . . . A 1
C49_1 C -0.01311(19) -0.3552(2) -0.00713(19) 0.0312(16) Uani 1 1 d . . . A 1
C50_1 C -0.02626(19) -0.3853(2) 0.0130(2) 0.0299(16) Uani 1 1 d . . . A 1
C51_1 C -0.03455(18) -0.3721(2) 0.0512(2) 0.0298(16) Uani 1 1 d . . . A 1
C52_1 C -0.03331(18) -0.3962(2) 0.0794(2) 0.0288(15) Uani 1 1 d . . . A 1
C53_1 C -0.0204(2) -0.3705(2) 0.1166(2) 0.0312(16) Uani 1 1 d . . . A 1
C54_1 C 0.0041(2) -0.3803(2) 0.1427(2) 0.0315(16) Uani 1 1 d . . . A 1
C55_1 C 0.0365(2) -0.3508(2) 0.16467(19) 0.0355(17) Uani 1 1 d . . . A 1
C56_1 C 0.0428(2) -0.3127(2) 0.15957(19) 0.0306(16) Uani 1 1 d . . . A 1
C57_1 C 0.0829(2) -0.2910(2) 0.15755(18) 0.0303(16) Uani 1 1 d . . . A 1
C58_1 C 0.0808(2) -0.26765(19) 0.12951(19) 0.0287(15) Uani 1 1 d . . . A 1
C59_1 C 0.11242(19) -0.25961(18) 0.10598(19) 0.0271(15) Uani 1 1 d . . . A 1
C60_1 C 0.1023(2) -0.25079(18) 0.0711(2) 0.0329(17) Uani 1 1 d . . . A 1
C61_1 C 0.0626(2) -0.25723(19) 0.05579(19) 0.0275(15) Uani 1 1 d . . . A 1
C62_1 C 0.0610(2) -0.26806(19) 0.0144(2) 0.0302(16) Uani 1 1 d . . . A 1
C63_1 C 0.0302(2) -0.2959(2) -0.0066(2) 0.0306(16) Uani 1 1 d . . . A 1
C64_1 C -0.00065(19) -0.3142(2) 0.01319(19) 0.0287(16) Uani 1 1 d . . . A 1
C65_1 C -0.0014(2) -0.3028(2) 0.0535(2) 0.0311(16) Uani 1 1 d . . . A 1
C66_1 C -0.0221(2) -0.3314(2) 0.0716(2) 0.0299(16) Uani 1 1 d . . . A 1
C67_1 C -0.01362(19) -0.3302(2) 0.1113(2) 0.0289(15) Uani 1 1 d . . . A 1
C68_1 C 0.0182(2) -0.3020(2) 0.1328(2) 0.0313(16) Uani 1 1 d . . . A 1
C69_1 C 0.0410(2) -0.27371(19) 0.11420(19) 0.0308(16) Uani 1 1 d . . . A 1
C70_1 C 0.0311(2) -0.27308(18) 0.07580(19) 0.0262(15) Uani 1 1 d . . . A 1
C1_2 C 0.1927(3) 0.2117(2) 0.1848(3) 0.0533(19) Uani 1 1 d . U . B 2
C2_2 C 0.2276(3) 0.2004(2) 0.1749(3) 0.0525(19) Uani 1 1 d . U . B 2
C3_2 C 0.2545(3) 0.2010(2) 0.2068(3) 0.059(2) Uani 1 1 d . U . B 2
C4_2 C 0.2426(3) 0.2035(2) 0.2437(3) 0.058(2) Uani 1 1 d . U . B 2
C5_2 C 0.2045(3) 0.2058(2) 0.2526(3) 0.058(2) Uani 1 1 d . U . B 2
C6_2 C 0.1804(3) 0.2144(2) 0.2229(3) 0.0522(19) Uani 1 1 d . U . B 2
C7_2 C 0.1390(3) 0.2031(2) 0.2198(3) 0.0473(19) Uani 1 1 d . U . B 2
C8_2 C 0.1247(2) 0.1939(2) 0.1797(2) 0.0425(17) Uani 1 1 d . U . B 2
C9_2 C 0.1579(3) 0.1983(2) 0.1574(3) 0.0461(18) Uani 1 1 d . U . B 2
C10_2 C 0.1578(2) 0.1720(2) 0.1231(2) 0.0417(17) Uani 1 1 d . U . B 2
C11_2 C 0.1926(3) 0.1583(3) 0.1137(3) 0.0521(19) Uani 1 1 d . U . B 2
C12_2 C 0.2281(3) 0.1735(3) 0.1383(3) 0.0524(19) Uani 1 1 d . U . B 2
C13_2 C 0.2548(3) 0.1483(3) 0.1349(3) 0.060(2) Uani 1 1 d . U . B 2
C14_2 C 0.2834(2) 0.1523(3) 0.1669(3) 0.058(2) Uani 1 1 d . U . B 2
C15_2 C 0.2835(2) 0.1769(3) 0.2013(3) 0.056(2) Uani 1 1 d . U . B 2
C16_2 C 0.2900(2) 0.1657(3) 0.2362(3) 0.058(2) Uani 1 1 d . U . B 2
C17_2 C 0.2649(3) 0.1813(3) 0.2625(3) 0.059(2) Uani 1 1 d . U . B 2
C18_2 C 0.2472(3) 0.1605(3) 0.2871(2) 0.053(2) Uani 1 1 d . U . B 2
C19_2 C 0.2069(3) 0.1594(3) 0.2943(2) 0.054(2) Uani 1 1 d . U . B 2
C20_2 C 0.1852(3) 0.1840(3) 0.2780(2) 0.056(2) Uani 1 1 d . U . B 2
C21_2 C 0.1441(3) 0.1705(3) 0.2731(2) 0.055(2) Uani 1 1 d . U . B 2
C22_2 C 0.1200(3) 0.1815(3) 0.2440(2) 0.0512(19) Uani 1 1 d . U . B 2
C23_2 C 0.0874(3) 0.1497(3) 0.2304(3) 0.0527(19) Uani 1 1 d . U . B 2
C24_2 C 0.0731(2) 0.1400(3) 0.1910(2) 0.0454(18) Uani 1 1 d . U . B 2
C25_2 C 0.0924(2) 0.1626(2) 0.1654(2) 0.0404(17) Uani 1 1 d . U . B 2
C26_2 C 0.0924(2) 0.1358(2) 0.1293(2) 0.0404(17) Uani 1 1 d . U . B 2
C27_2 C 0.1238(3) 0.1401(2) 0.1088(2) 0.0422(17) Uani 1 1 d . U . B 2
C28_2 C 0.1395(3) 0.1064(3) 0.0907(2) 0.0498(18) Uani 1 1 d . U . B 2
C29_2 C 0.1808(3) 0.1185(3) 0.0940(2) 0.0504(18) Uani 1 1 d . U . B 2
C30_2 C 0.2050(3) 0.0908(3) 0.0974(2) 0.0538(19) Uani 1 1 d . U . B 2
C31_2 C 0.2434(3) 0.1083(3) 0.1149(3) 0.0536(19) Uani 1 1 d . U . B 2
C32_2 C 0.2652(3) 0.0858(3) 0.1337(3) 0.056(2) Uani 1 1 d . U . B 2
C33_2 C 0.2903(2) 0.1126(3) 0.1650(3) 0.0528(19) Uani 1 1 d . U . B 2
C34_2 C 0.2964(2) 0.1009(3) 0.1995(3) 0.0518(19) Uani 1 1 d . U . B 2
C35_2 C 0.2967(2) 0.1278(3) 0.2360(3) 0.054(2) Uani 1 1 d . U . B 2
C36_2 C 0.2779(2) 0.1052(2) 0.2621(3) 0.0503(19) Uani 1 1 d . U . B 2
C37_2 C 0.2534(3) 0.1212(3) 0.2872(2) 0.0508(19) Uani 1 1 d . U . B 2
C38_2 C 0.2169(3) 0.0971(3) 0.2930(2) 0.0516(19) Uani 1 1 d . U . B 2
C39_2 C 0.1879(3) 0.1222(3) 0.2977(2) 0.0530(19) Uani 1 1 d . U . B 2
C40_2 C 0.1479(3) 0.1047(3) 0.2852(2) 0.059(2) Uani 1 1 d . U . B 2
C41_2 C 0.1255(3) 0.1323(3) 0.2762(2) 0.057(2) Uani 1 1 d . U . B 2
C42_2 C 0.0900(3) 0.1179(3) 0.2495(3) 0.056(2) Uani 1 1 d . U . B 2
C43_2 C 0.0797(2) 0.0791(3) 0.2299(3) 0.058(2) Uani 1 1 d . U . B 2
C44_2 C 0.0650(2) 0.0689(3) 0.1904(3) 0.057(2) Uani 1 1 d . U . B 2
C45_2 C 0.0615(2) 0.0989(3) 0.1712(3) 0.0494(19) Uani 1 1 d . U . B 2
C46_2 C 0.0735(2) 0.0960(2) 0.1332(2) 0.0457(18) Uani 1 1 d . U . B 2
C47_2 C 0.0878(3) 0.0636(2) 0.1156(3) 0.0505(19) Uani 1 1 d . U . B 2
C48_2 C 0.1208(3) 0.0695(2) 0.0942(2) 0.0491(19) Uani 1 1 d . U . B 2
C49_2 C 0.1454(3) 0.0419(2) 0.1010(2) 0.054(2) Uani 1 1 d . U . B 2
C50_2 C 0.1864(3) 0.0521(3) 0.1004(2) 0.0497(19) Uani 1 1 d . U . B 2
C51_2 C 0.2080(3) 0.0319(2) 0.1221(2) 0.0492(19) Uani 1 1 d . U . B 2
C52_2 C 0.2478(3) 0.0486(3) 0.1369(2) 0.0502(19) Uani 1 1 d . U . B 2
C53_2 C 0.2547(3) 0.0359(2) 0.1731(3) 0.0517(19) Uani 1 1 d . U . B 2
C54_2 C 0.2785(2) 0.0615(2) 0.2033(3) 0.0481(19) Uani 1 1 d . U . B 2
C55_2 C 0.2664(2) 0.0639(2) 0.2417(2) 0.0453(18) Uani 1 1 d . U . B 2
C56_2 C 0.2311(3) 0.0411(2) 0.2478(2) 0.0454(18) Uani 1 1 d . U . B 2
C57_2 C 0.2054(3) 0.0576(3) 0.2740(2) 0.0521(19) Uani 1 1 d . U . B 2
C58_2 C 0.1660(3) 0.0417(3) 0.2579(3) 0.0541(19) Uani 1 1 d . U . B 2
C59_2 C 0.1360(3) 0.0636(3) 0.2641(3) 0.0545(19) Uani 1 1 d . U . B 2
C60_2 C 0.1030(3) 0.0515(3) 0.2357(3) 0.057(2) Uani 1 1 d . U . B 2
C61_2 C 0.1040(3) 0.0259(3) 0.2007(3) 0.058(2) Uani 1 1 d . U . B 2
C62_2 C 0.0801(2) 0.0364(3) 0.1719(3) 0.055(2) Uani 1 1 d . U . B 2
C63_2 C 0.0913(2) 0.0335(2) 0.1367(3) 0.052(2) Uani 1 1 d . U . B 2
C64_2 C 0.1273(3) 0.0203(2) 0.1254(3) 0.054(2) Uani 1 1 d . U . B 2
C65_2 C 0.1492(3) 0.0070(2) 0.1531(3) 0.0503(19) Uani 1 1 d . U . B 2
C66_2 C 0.1896(3) 0.0100(2) 0.1471(3) 0.0521(19) Uani 1 1 d . U . B 2
C67_2 C 0.2180(3) 0.0117(2) 0.1786(3) 0.0521(19) Uani 1 1 d . U . B 2
C68_2 C 0.2057(3) 0.0139(2) 0.2149(3) 0.0506(19) Uani 1 1 d . U . B 2
C69_2 C 0.1656(3) 0.0148(2) 0.2223(3) 0.054(2) Uani 1 1 d . U . B 2
C70_2 C 0.1367(3) 0.0097(2) 0.1905(3) 0.056(2) Uani 1 1 d . U . B 2
C1_3 C 0.3662(2) 0.3485(2) 0.2403(2) 0.0401(16) Uani 1 1 d . U . C 3
C2_3 C 0.3637(2) 0.3248(2) 0.2673(2) 0.0385(16) Uani 1 1 d . U . C 3
C3_3 C 0.3891(2) 0.3392(2) 0.3008(2) 0.0385(16) Uani 1 1 d . U . C 3
C4_3 C 0.4104(2) 0.3796(2) 0.3109(2) 0.0397(16) Uani 1 1 d . U . C 3
C5_3 C 0.4065(2) 0.4060(2) 0.2873(2) 0.0379(16) Uani 1 1 d . U . C 3
C6_3 C 0.3873(2) 0.3894(2) 0.2504(2) 0.0371(16) Uani 1 1 d . U . C 3
C7_3 C 0.3682(2) 0.4110(2) 0.2289(2) 0.0344(15) Uani 1 1 d . U . C 3
C8_3 C 0.3341(2) 0.3851(2) 0.20566(19) 0.0340(15) Uani 1 1 d . U . C 3
C9_3 C 0.3335(2) 0.3463(2) 0.21296(19) 0.0375(16) Uani 1 1 d . U . C 3
C10_3 C 0.2979(3) 0.3217(2) 0.2143(2) 0.0395(17) Uani 1 1 d . U . C 3
C11_3 C 0.2935(3) 0.29870(19) 0.24351(19) 0.0374(16) Uani 1 1 d . U . C 3
C12_3 C 0.3259(3) 0.2986(2) 0.2688(2) 0.0399(16) Uani 1 1 d . U . C 3
C13_3 C 0.3167(3) 0.2888(2) 0.3041(2) 0.0389(16) Uani 1 1 d . U . C 3
C14_3 C 0.3450(2) 0.3023(2) 0.3378(2) 0.0361(16) Uani 1 1 d . U . C 3
C15_3 C 0.3800(2) 0.3272(2) 0.3364(2) 0.0399(16) Uani 1 1 d . U . C 3
C16_3 C 0.3970(2) 0.3603(2) 0.3684(2) 0.0358(15) Uani 1 1 d . U . C 3
C17_3 C 0.4151(2) 0.3924(2) 0.3523(2) 0.0371(16) Uani 1 1 d . U . C 3
C18_3 C 0.4129(2) 0.4309(2) 0.3698(2) 0.0366(16) Uani 1 1 d . U . C 3
C19_3 C 0.4059(2) 0.4572(2) 0.3462(2) 0.0358(16) Uani 1 1 d . U . C 3
C20_3 C 0.4042(2) 0.4468(2) 0.3055(2) 0.0355(16) Uani 1 1 d . U . C 3
C21_3 C 0.3830(2) 0.4665(2) 0.2852(2) 0.0341(15) Uani 1 1 d . U . C 3
C22_3 C 0.3652(2) 0.4495(2) 0.2458(2) 0.0343(15) Uani 1 1 d . U . C 3
C23_3 C 0.3304(2) 0.4627(2) 0.2400(2) 0.0330(15) Uani 1 1 d . U . C 3
C24_3 C 0.2977(2) 0.4375(2) 0.21778(19) 0.0344(16) Uani 1 1 d . U . C 3
C25_3 C 0.3002(2) 0.3972(2) 0.19983(19) 0.0359(16) Uani 1 1 d . U . C 3
C26_3 C 0.2629(2) 0.3715(2) 0.2015(2) 0.0385(16) Uani 1 1 d . U . C 3
C27_3 C 0.2622(2) 0.3342(2) 0.20894(19) 0.0390(17) Uani 1 1 d . U . C 3
C28_3 C 0.2358(2) 0.3200(2) 0.2351(2) 0.0414(18) Uani 1 1 d . U . C 3
C29_3 C 0.2554(2) 0.29777(19) 0.2561(2) 0.0392(17) Uani 1 1 d . U . C 3
C30_3 C 0.2484(2) 0.2963(2) 0.2943(2) 0.0377(17) Uani 1 1 d . U . C 3
C31_3 C 0.2785(2) 0.28794(19) 0.3170(2) 0.0379(16) Uani 1 1 d . U . C 3
C32_3 C 0.2827(2) 0.30008(19) 0.3582(2) 0.0336(15) Uani 1 1 d . U . C 3
C33_3 C 0.3240(2) 0.30859(19) 0.3711(2) 0.0323(15) Uani 1 1 d . U . C 3
C34_3 C 0.3394(2) 0.3406(2) 0.40210(19) 0.0308(15) Uani 1 1 d . U . C 3
C35_3 C 0.3765(2) 0.3665(2) 0.4004(2) 0.0321(15) Uani 1 1 d . U . C 3
C36_3 C 0.3743(2) 0.4065(2) 0.4191(2) 0.0353(16) Uani 1 1 d . U . C 3
C37_3 C 0.3926(2) 0.4377(2) 0.4033(2) 0.0337(16) Uani 1 1 d . U . C 3
C38_3 C 0.3717(2) 0.4688(2) 0.4002(2) 0.0356(16) Uani 1 1 d . U . C 3
C39_3 C 0.3807(2) 0.4807(2) 0.3646(2) 0.0364(16) Uani 1 1 d . U . C 3
C40_3 C 0.3540(2) 0.49405(19) 0.3435(2) 0.0357(16) Uani 1 1 d . U . C 3
C41_3 C 0.3578(2) 0.49012(19) 0.3034(2) 0.0320(15) Uani 1 1 d . U . C 3
C42_3 C 0.3253(2) 0.48805(19) 0.2767(2) 0.0334(15) Uani 1 1 d . U . C 3
C43_3 C 0.2886(2) 0.4871(2) 0.2888(2) 0.0345(15) Uani 1 1 d . U . C 3
C44_3 C 0.2547(2) 0.4604(2) 0.2654(2) 0.0355(16) Uani 1 1 d . U . C 3
C45_3 C 0.2595(2) 0.4367(2) 0.2310(2) 0.0347(16) Uani 1 1 d . U . C 3
C46_3 C 0.2375(2) 0.3952(2) 0.2205(2) 0.0364(16) Uani 1 1 d . U . C 3
C47_3 C 0.2127(2) 0.3807(2) 0.2455(2) 0.0397(17) Uani 1 1 d . U . C 3
C48_3 C 0.2119(2) 0.3421(2) 0.2530(2) 0.0408(17) Uani 1 1 d . U . C 3
C49_3 C 0.2063(2) 0.3438(2) 0.2928(2) 0.0382(16) Uani 1 1 d . U . C 3
C50_3 C 0.2223(2) 0.3204(2) 0.3133(2) 0.0398(17) Uani 1 1 d . U . C 3
C51_3 C 0.2296(2) 0.3347(2) 0.3542(2) 0.0367(16) Uani 1 1 d . U . C 3
C52_3 C 0.2585(2) 0.3233(2) 0.3764(2) 0.0348(16) Uani 1 1 d . U . C 3
C53_3 C 0.2749(2) 0.3557(2) 0.40876(19) 0.0334(15) Uani 1 1 d . U . C 3
C54_3 C 0.3140(2) 0.3643(2) 0.42124(18) 0.0313(15) Uani 1 1 d . U . C 3
C55_3 C 0.3357(2) 0.4053(2) 0.43156(19) 0.0319(15) Uani 1 1 d . U . C 3
C56_3 C 0.3169(2) 0.4353(2) 0.42841(18) 0.0329(15) Uani 1 1 d . U . C 3
C57_3 C 0.3355(2) 0.4680(2) 0.4124(2) 0.0358(16) Uani 1 1 d . U . C 3
C58_3 C 0.3056(2) 0.47828(19) 0.3895(2) 0.0351(16) Uani 1 1 d . U . C 3
C59_3 C 0.3144(2) 0.49260(19) 0.3565(2) 0.0362(16) Uani 1 1 d . U . C 3
C60_3 C 0.2826(2) 0.48802(19) 0.3287(2) 0.0377(16) Uani 1 1 d . U . C 3
C61_3 C 0.2462(2) 0.4622(2) 0.3301(2) 0.0396(16) Uani 1 1 d . U . C 3
C62_3 C 0.2287(2) 0.4454(2) 0.2914(2) 0.0391(16) Uani 1 1 d . U . C 3
C63_3 C 0.2083(2) 0.4062(2) 0.2817(2) 0.0409(17) Uani 1 1 d . U . C 3
C64_3 C 0.20408(19) 0.3832(2) 0.3107(2) 0.0388(16) Uani 1 1 d . U . C 3
C65_3 C 0.2182(2) 0.3997(2) 0.3495(2) 0.0377(16) Uani 1 1 d . U . C 3
C66_3 C 0.2271(2) 0.3737(2) 0.3713(2) 0.0363(16) Uani 1 1 d . U . C 3
C67_3 C 0.2553(2) 0.3873(2) 0.4054(2) 0.0356(15) Uani 1 1 d . U . C 3
C68_3 C 0.2761(2) 0.4264(2) 0.41504(19) 0.0342(15) Uani 1 1 d . U . C 3
C69_3 C 0.2690(2) 0.4530(2) 0.3915(2) 0.0356(15) Uani 1 1 d . U . C 3
C70_3 C 0.2403(2) 0.4415(2) 0.3600(2) 0.0367(16) Uani 1 1 d . U . C 3
C1_4 C 0.4796(2) 0.95881(18) 0.4158(2) 0.0305(14) Uani 1 1 d . U . D 4
C2_4 C 0.49168(19) 0.96053(16) 0.45447(19) 0.0232(13) Uani 1 1 d . U . D 4
C3_4 C 0.4623(2) 0.96185(18) 0.4807(2) 0.0288(14) Uani 1 1 d . U . D 4
C4_4 C 0.4221(2) 0.95401(19) 0.4672(2) 0.0314(15) Uani 1 1 d . U . D 4
C5_4 C 0.4096(2) 0.94463(19) 0.4274(2) 0.0295(14) Uani 1 1 d . U . D 4
C6_4 C 0.4393(2) 0.95073(19) 0.4024(2) 0.0334(15) Uani 1 1 d . U . D 4
C7_4 C 0.4343(2) 0.9292(2) 0.3632(2) 0.0357(15) Uani 1 1 d . U . D 4
C8_4 C 0.4724(2) 0.9241(2) 0.3516(2) 0.0360(16) Uani 1 1 d . U . D 4
C9_4 C 0.5001(2) 0.9420(2) 0.3847(2) 0.0300(14) Uani 1 1 d . U . D 4
C10_4 C 0.5309(2) 0.9253(2) 0.3930(2) 0.0306(14) Uani 1 1 d . U . D 4
C11_4 C 0.54187(18) 0.92433(19) 0.4317(2) 0.0275(14) Uani 1 1 d . U . D 4
C12_4 C 0.52429(19) 0.94273(19) 0.4629(2) 0.0294(14) Uani 1 1 d . U . D 4
C13_4 C 0.5246(2) 0.9269(2) 0.4963(2) 0.0314(15) Uani 1 1 d . U . D 4
C14_4 C 0.4959(2) 0.9313(2) 0.52295(19) 0.0315(15) Uani 1 1 d . U . D 4
C15_4 C 0.4655(2) 0.9482(2) 0.5158(2) 0.0328(15) Uani 1 1 d . U . D 4
C16_4 C 0.4264(2) 0.9323(2) 0.5242(2) 0.0349(16) Uani 1 1 d . U . D 4
C17_4 C 0.4001(2) 0.93582(19) 0.4939(2) 0.0306(15) Uani 1 1 d . U . D 4
C18_4 C 0.3672(2) 0.9059(2) 0.4800(2) 0.0313(15) Uani 1 1 d . U . D 4
C19_4 C 0.35546(19) 0.8937(2) 0.4395(2) 0.0304(14) Uani 1 1 d . U . D 4
C20_4 C 0.3746(2) 0.9130(2) 0.4132(2) 0.0324(15) Uani 1 1 d . U . D 4
C21_4 C 0.3726(2) 0.8907(2) 0.3749(2) 0.0344(15) Uani 1 1 d . U . D 4
C22_4 C 0.4014(2) 0.8997(2) 0.3497(2) 0.0360(16) Uani 1 1 d . U . D 4
C23_4 C 0.4059(2) 0.8630(2) 0.32417(19) 0.0332(15) Uani 1 1 d . U . D 4
C24_4 C 0.4415(2) 0.8577(2) 0.31323(18) 0.0329(15) Uani 1 1 d . U . D 4
C25_4 C 0.4766(2) 0.8900(2) 0.3278(2) 0.0353(16) Uani 1 1 d . U . D 4
C26_4 C 0.5083(2) 0.8716(2) 0.3352(2) 0.0344(15) Uani 1 1 d . U . D 4
C27_4 C 0.5348(2) 0.8889(2) 0.3674(2) 0.0330(15) Uani 1 1 d . U . D 4
C28_4 C 0.54784(19) 0.8653(2) 0.3914(2) 0.0308(14) Uani 1 1 d . U . D 4
C29_4 C 0.55262(18) 0.8867(2) 0.4311(2) 0.0302(14) Uani 1 1 d . U . D 4
C30_4 C 0.54568(19) 0.8673(2) 0.4616(2) 0.0331(15) Uani 1 1 d . U . D 4
C31_4 C 0.5356(2) 0.8898(2) 0.4953(2) 0.0323(15) Uani 1 1 d . U . D 4
C32_4 C 0.5134(2) 0.8711(2) 0.5216(2) 0.0340(15) Uani 1 1 d . U . D 4
C33_4 C 0.4888(2) 0.8967(2) 0.53947(19) 0.0328(15) Uani 1 1 d . U . D 4
C34_4 C 0.4516(2) 0.8812(2) 0.54787(19) 0.0362(16) Uani 1 1 d . U . D 4
C35_4 C 0.4194(2) 0.8993(2) 0.53987(19) 0.0350(16) Uani 1 1 d . U . D 4
C36_4 C 0.3850(2) 0.8680(2) 0.52556(19) 0.0326(15) Uani 1 1 d . U . D 4
C37_4 C 0.3593(2) 0.8717(2) 0.4965(2) 0.0353(16) Uani 1 1 d . U . D 4
C38_4 C 0.3434(2) 0.8376(2) 0.4652(2) 0.0332(15) Uani 1 1 d . U . D 4
C39_4 C 0.34067(18) 0.8516(2) 0.4304(2) 0.0285(14) Uani 1 1 d . U . D 4
C40_4 C 0.34557(19) 0.8275(2) 0.3942(2) 0.0325(15) Uani 1 1 d . U . D 4
C41_4 C 0.35792(19) 0.8479(2) 0.3655(2) 0.0328(15) Uani 1 1 d . U . D 4
C42_4 C 0.3782(2) 0.8316(2) 0.33471(19) 0.0328(15) Uani 1 1 d . U . D 4
C43_4 C 0.3890(2) 0.7955(2) 0.3335(2) 0.0324(15) Uani 1 1 d . U . D 4
C44_4 C 0.4268(2) 0.79025(19) 0.32282(18) 0.0283(14) Uani 1 1 d . U . D 4
C45_4 C 0.4524(2) 0.8210(2) 0.31214(19) 0.0326(15) Uani 1 1 d . U . D 4
C46_4 C 0.4932(2) 0.8291(2) 0.3257(2) 0.0369(16) Uani 1 1 d . U . D 4
C47_4 C 0.5061(2) 0.8060(2) 0.3490(2) 0.0330(15) Uani 1 1 d . U . D 4
C48_4 C 0.5342(2) 0.8243(2) 0.3823(2) 0.0336(15) Uani 1 1 d . U . D 4
C49_4 C 0.52440(19) 0.8045(2) 0.4126(2) 0.0308(14) Uani 1 1 d . U . D 4
C50_4 C 0.5311(2) 0.8241(2) 0.4519(2) 0.0314(15) Uani 1 1 d . U . D 4
C51_4 C 0.5070(2) 0.8071(2) 0.4773(2) 0.0335(15) Uani 1 1 d . U . D 4
C52_4 C 0.4991(2) 0.8306(2) 0.5131(2) 0.0351(15) Uani 1 1 d . U . D 4
C53_4 C 0.4606(2) 0.8144(2) 0.5217(2) 0.0379(16) Uani 1 1 d . U . D 4
C54_4 C 0.4366(2) 0.8386(2) 0.5381(2) 0.0375(16) Uani 1 1 d . U . D 4
C55_4 C 0.3960(2) 0.8307(2) 0.52492(19) 0.0335(15) Uani 1 1 d . U . D 4
C56_4 C 0.3802(2) 0.7979(2) 0.4945(2) 0.0343(15) Uani 1 1 d . U . D 4
C57_4 C 0.3539(2) 0.8023(2) 0.4646(2) 0.0341(15) Uani 1 1 d . U . D 4
C58_4 C 0.3619(2) 0.7787(2) 0.4291(2) 0.0314(15) Uani 1 1 d . U . D 4
C59_4 C 0.35623(19) 0.79026(19) 0.3934(2) 0.0294(14) Uani 1 1 d . U . D 4
C60_4 C 0.37921(19) 0.7753(2) 0.3644(2) 0.0296(15) Uani 1 1 d . U . D 4
C61_4 C 0.4103(2) 0.75785(17) 0.37307(19) 0.0260(14) Uani 1 1 d . U . D 4
C62_4 C 0.4406(2) 0.76772(19) 0.3471(2) 0.0317(15) Uani 1 1 d . U . D 4
C63_4 C 0.4794(2) 0.7741(2) 0.3595(2) 0.0325(15) Uani 1 1 d . U . D 4
C64_4 C 0.4905(2) 0.77288(18) 0.3989(2) 0.0290(14) Uani 1 1 d . U . D 4
C65_4 C 0.4621(2) 0.76235(19) 0.4237(2) 0.0329(15) Uani 1 1 d . U . D 4
C66_4 C 0.4729(2) 0.7760(2) 0.4629(2) 0.0358(16) Uani 1 1 d . U . D 4
C67_4 C 0.4442(2) 0.7811(2) 0.4906(2) 0.0368(16) Uani 1 1 d . U . D 4
C68_4 C 0.4050(2) 0.7734(2) 0.4775(2) 0.0337(15) Uani 1 1 d . U . D 4
C69_4 C 0.3938(2) 0.76147(19) 0.4369(2) 0.0331(15) Uani 1 1 d . U . D 4
C70_4 C 0.4207(2) 0.75434(18) 0.4096(2) 0.0298(14) Uani 1 1 d . U . D 4
C1_5 C -0.09546(6) -0.95954(4) 0.21790(6) 0.070(3) Uiso 1 1 d G . . E 5
C2_5 C -0.08522(6) -0.94518(5) 0.18486(5) 0.070(3) Uiso 1 1 d G . . E 5
C3_5 C -0.11700(6) -0.94610(5) 0.15815(5) 0.073(3) Uiso 1 1 d G . . E 5
C4_5 C -0.15639(5) -0.95260(4) 0.16831(5) 0.072(3) Uiso 1 1 d G . . E 5
C5_5 C -0.16509(5) -0.95805(4) 0.20524(5) 0.071(3) Uiso 1 1 d G . . E 5
C6_5 C -0.13484(6) -0.96582(4) 0.22831(6) 0.075(3) Uiso 1 1 d G . . E 5
C7_5 C -0.13361(6) -0.95710(4) 0.26940(6) 0.072(3) Uiso 1 1 d G . . E 5
C8_5 C -0.09279(6) -0.94578(5) 0.28513(6) 0.059(2) Uiso 1 1 d G . . E 5
C9_5 C -0.06942(5) -0.94687(5) 0.25302(6) 0.054(2) Uiso 1 1 d G . . E 5
C10_5 C -0.03534(5) -0.91863(5) 0.25486(6) 0.046(2) Uiso 1 1 d G . . E 5
C11_5 C -0.02568(4) -0.90191(6) 0.22234(5) 0.054(2) Uiso 1 1 d G . . E 5
C12_5 C -0.04942(5) -0.91561(5) 0.18697(5) 0.067(3) Uiso 1 1 d G . . E 5
C13_5 C -0.04771(5) -0.88879(6) 0.16249(5) 0.081(3) Uiso 1 1 d G . . E 5
C14_5 C -0.07948(6) -0.89212(6) 0.13421(4) 0.087(4) Uiso 1 1 d G . . E 5
C15_5 C -0.11328(6) -0.92017(6) 0.13203(4) 0.082(3) Uiso 1 1 d G . . E 5
C16_5 C -0.15098(6) -0.91025(6) 0.12555(4) 0.067(3) Uiso 1 1 d G . . E 5
C17_5 C -0.17725(5) -0.93035(5) 0.14859(5) 0.060(2) Uiso 1 1 d G . . E 5
C18_5 C -0.20464(4) -0.91163(5) 0.16666(5) 0.0435(19) Uiso 1 1 d G . . E 5
C19_5 C -0.21179(4) -0.91480(5) 0.20534(5) 0.051(2) Uiso 1 1 d G . . E 5
C20_5 C -0.19404(4) -0.93874(5) 0.22439(6) 0.063(3) Uiso 1 1 d G . . E 5
C21_5 C -0.19070(4) -0.92808(5) 0.26518(6) 0.065(3) Uiso 1 1 d G . . E 5
C22_5 C -0.16104(5) -0.93880(5) 0.28774(5) 0.076(3) Uiso 1 1 d G . . E 5
C23_5 C -0.14911(6) -0.90803(6) 0.32251(5) 0.081(3) Uiso 1 1 d G . . E 5
C24_5 C -0.10979(6) -0.89657(6) 0.33775(4) 0.071(3) Uiso 1 1 d G . . E 5
C25_5 C -0.08112(6) -0.91603(6) 0.31832(5) 0.052(2) Uiso 1 1 d G . . E 5
C26_5 C -0.04550(5) -0.88682(6) 0.32038(5) 0.0370(18) Uiso 1 1 d G . . E 5
C27_5 C -0.02300(5) -0.88786(6) 0.28958(5) 0.0353(17) Uiso 1 1 d G . . E 5
C28_5 C -0.00658(4) -0.85214(6) 0.27779(5) 0.0368(17) Uiso 1 1 d G . . E 5
C29_5 C -0.00819(4) -0.86080(6) 0.23617(5) 0.047(2) Uiso 1 1 d G . . E 5
C30_5 C -0.01351(4) -0.83241(6) 0.21530(5) 0.067(3) Uiso 1 1 d G . . E 5
C31_5 C -0.02999(5) -0.84747(6) 0.17661(5) 0.079(3) Uiso 1 1 d G . . E 5
C32_5 C -0.05051(5) -0.82506(6) 0.15688(5) 0.084(3) Uiso 1 1 d G . . E 5
C33_5 C -0.08143(6) -0.85264(7) 0.13017(4) 0.086(3) Uiso 1 1 d G . . E 5
C34_5 C -0.11711(6) -0.84250(6) 0.12434(4) 0.076(3) Uiso 1 1 d G . . E 5
C35_5 C -0.15278(6) -0.87265(6) 0.12219(4) 0.061(3) Uiso 1 1 d G . . E 5
C36_5 C -0.18170(5) -0.85349(6) 0.14121(5) 0.0411(19) Uiso 1 1 d G . . E 5
C37_5 C -0.20720(4) -0.87296(6) 0.16296(5) 0.0320(16) Uiso 1 1 d G . . E 5
C38_5 C -0.21531(4) -0.85143(6) 0.19953(5) 0.0354(17) Uiso 1 1 d G . . E 5
C39_5 C -0.21860(4) -0.87783(6) 0.22589(5) 0.045(2) Uiso 1 1 d G . . E 5
C40_5 C -0.20776(4) -0.86371(6) 0.26521(5) 0.053(2) Uiso 1 1 d G . . E 5
C41_5 C -0.19725(4) -0.89133(6) 0.28532(5) 0.072(3) Uiso 1 1 d G . . E 5
C42_5 C -0.17163(5) -0.87838(6) 0.32072(5) 0.085(3) Uiso 1 1 d G . . E 5
C43_5 C -0.15434(6) -0.83896(6) 0.33421(4) 0.080(3) Uiso 1 1 d G . . E 5
C44_5 C -0.11392(6) -0.82698(6) 0.35026(4) 0.080(3) Uiso 1 1 d G . . E 5
C45_5 C -0.09192(6) -0.85497(6) 0.35172(4) 0.070(3) Uiso 1 1 d G . . E 5
C46_5 C -0.05215(5) -0.84861(6) 0.34141(4) 0.051(2) Uiso 1 1 d G . . E 5
C47_5 C -0.03596(5) -0.81474(6) 0.32969(5) 0.049(2) Uiso 1 1 d G . . E 5
C48_5 C -0.01288(4) -0.81643(6) 0.29741(5) 0.049(2) Uiso 1 1 d G . . E 5
C49_5 C -0.02123(4) -0.78807(5) 0.27631(6) 0.058(2) Uiso 1 1 d G . . E 5
C50_5 C -0.02053(4) -0.79482(5) 0.23587(6) 0.063(3) Uiso 1 1 d G . . E 5
C51_5 C -0.04280(5) -0.77470(5) 0.21657(6) 0.088(4) Uiso 1 1 d G . . E 5
C52_5 C -0.05690(5) -0.78943(6) 0.17654(6) 0.084(3) Uiso 1 1 d G . . E 5
C53_5 C -0.09407(6) -0.77946(5) 0.17022(6) 0.080(3) Uiso 1 1 d G . . E 5
C54_5 C -0.12393(6) -0.80561(6) 0.14522(5) 0.068(3) Uiso 1 1 d G . . E 5
C55_5 C -0.16371(6) -0.81205(6) 0.15525(5) 0.054(2) Uiso 1 1 d G . . E 5
C56_5 C -0.17193(5) -0.79188(5) 0.19046(6) 0.052(2) Uiso 1 1 d G . . E 5
C57_5 C -0.19820(5) -0.81234(6) 0.21299(6) 0.046(2) Uiso 1 1 d G . . E 5
C58_5 C -0.18380(5) -0.79714(5) 0.25303(5) 0.063(3) Uiso 1 1 d G . . E 5
C59_5 C -0.18958(5) -0.82183(6) 0.27958(5) 0.069(3) Uiso 1 1 d G . . E 5
C60_5 C -0.16232(5) -0.81046(6) 0.31285(5) 0.077(3) Uiso 1 1 d G . . E 5
C61_5 C -0.12713(6) -0.78132(5) 0.31519(5) 0.080(3) Uiso 1 1 d G . . E 5
C62_5 C -0.09699(6) -0.79148(5) 0.33804(4) 0.078(3) Uiso 1 1 d G . . E 5
C63_5 C -0.05904(6) -0.78537(5) 0.32803(5) 0.070(3) Uiso 1 1 d G . . E 5
C64_5 C -0.04972(5) -0.76905(4) 0.29544(5) 0.075(3) Uiso 1 1 d G . . E 5
C65_5 C -0.07770(6) -0.75625(4) 0.27420(6) 0.073(3) Uiso 1 1 d G . . E 5
C66_5 C -0.07116(6) -0.75550(4) 0.23559(6) 0.091(4) Uiso 1 1 d G . . E 5
C67_5 C -0.10270(6) -0.75848(4) 0.20732(6) 0.087(4) Uiso 1 1 d G . . E 5
C68_5 C -0.14079(6) -0.76473(4) 0.21693(6) 0.070(3) Uiso 1 1 d G . . E 5
C69_5 C -0.14847(6) -0.76789(4) 0.25558(6) 0.079(3) Uiso 1 1 d G . . E 5
C70_5 C -0.11781(6) -0.76279(4) 0.28441(5) 0.080(3) Uiso 1 1 d G . . E 5
C1_6 C -0.0625(2) -0.3494(2) 0.3873(2) 0.0309(16) Uani 1 1 d . . . F 6
C2_6 C -0.06860(19) -0.3589(2) 0.3470(2) 0.0299(16) Uani 1 1 d . . . F 6
C3_6 C -0.04580(19) -0.33178(19) 0.3281(2) 0.0280(15) Uani 1 1 d . . . F 6
C4_6 C -0.0134(2) -0.30189(19) 0.3483(2) 0.0296(16) Uani 1 1 d . . . F 6
C5_6 C -0.0028(2) -0.29793(18) 0.3875(2) 0.0287(16) Uani 1 1 d . . . F 6
C6_6 C -0.0303(2) -0.31956(19) 0.4075(2) 0.0306(16) Uani 1 1 d . . . F 6
C7_6 C -0.0183(2) -0.3311(2) 0.44175(19) 0.0327(17) Uani 1 1 d . . . F 6
C8_6 C -0.0434(2) -0.3683(2) 0.4431(2) 0.0337(17) Uani 1 1 d . . . F 6
C9_6 C -0.0709(2) -0.3797(2) 0.4089(2) 0.0340(17) Uani 1 1 d . . . F 6
C10_6 C -0.0824(2) -0.4189(2) 0.3900(2) 0.0333(17) Uani 1 1 d . . . F 6
C11_6 C -0.0860(2) -0.4291(2) 0.3487(2) 0.0337(17) Uani 1 1 d . . . F 6
C12_6 C -0.08082(19) -0.4001(2) 0.3265(2) 0.0320(16) Uani 1 1 d . . . F 6
C13_6 C -0.0692(2) -0.4114(2) 0.2893(2) 0.0326(17) Uani 1 1 d . . . F 6
C14_6 C -0.0484(2) -0.3830(2) 0.2697(2) 0.0358(18) Uani 1 1 d . . . F 6
C15_6 C -0.0369(2) -0.3435(2) 0.2891(2) 0.0311(16) Uani 1 1 d . . . F 6
C16_6 C 0.0006(2) -0.3211(2) 0.2845(2) 0.0332(17) Uani 1 1 d . . . F 6
C17_6 C 0.0158(2) -0.29511(19) 0.3215(2) 0.0319(17) Uani 1 1 d . . . F 6
C18_6 C 0.0552(2) -0.28714(19) 0.3348(2) 0.0349(18) Uani 1 1 d . . . F 6
C19_6 C 0.0664(2) -0.28652(18) 0.3736(2) 0.0321(17) Uani 1 1 d . . . F 6
C20_6 C 0.0385(2) -0.29004(18) 0.4009(2) 0.0319(17) Uani 1 1 d . . . F 6
C21_6 C 0.0497(2) -0.3039(2) 0.43307(19) 0.0339(17) Uani 1 1 d . . . F 6
C22_6 C 0.0214(2) -0.32325(19) 0.45421(19) 0.0335(17) Uani 1 1 d . . . F 6
C23_6 C 0.0371(2) -0.3526(2) 0.46902(18) 0.0350(18) Uani 1 1 d . . . F 6
C24_6 C 0.0124(2) -0.3887(2) 0.46959(19) 0.0351(17) Uani 1 1 d . . . F 6
C25_6 C -0.0283(2) -0.3959(2) 0.4568(2) 0.0386(19) Uani 1 1 d . . . F 6
C26_6 C -0.0400(2) -0.4376(2) 0.4370(2) 0.0367(18) Uani 1 1 d . . . F 6
C27_6 C -0.0668(2) -0.4487(2) 0.4042(2) 0.0334(17) Uani 1 1 d . . . F 6
C28_6 C -0.0607(2) -0.4768(2) 0.3710(2) 0.0325(17) Uani 1 1 d . . . F 6
C29_6 C -0.07259(19) -0.4655(2) 0.3367(2) 0.0346(18) Uani 1 1 d . . . F 6
C30_6 C -0.0532(2) -0.4727(2) 0.3030(2) 0.0349(17) Uani 1 1 d . . . F 6
C31_6 C -0.0563(2) -0.4475(2) 0.2776(2) 0.0348(18) Uani 1 1 d . . . F 6
C32_6 C -0.0269(2) -0.4413(2) 0.25091(19) 0.0369(18) Uani 1 1 d . . . F 6
C33_6 C -0.0227(2) -0.4013(2) 0.24571(19) 0.0384(19) Uani 1 1 d . . . F 6
C34_6 C 0.0141(2) -0.3793(2) 0.2417(2) 0.0398(19) Uani 1 1 d . . . F 6
C35_6 C 0.0262(2) -0.3379(2) 0.2619(2) 0.0372(18) Uani 1 1 d . . . F 6
C36_6 C 0.0672(2) -0.3303(2) 0.2748(2) 0.0397(19) Uani 1 1 d . . . F 6
C37_6 C 0.0810(2) -0.3055(2) 0.3104(2) 0.0358(18) Uani 1 1 d . . . F 6
C38_6 C 0.10901(19) -0.3150(2) 0.3358(2) 0.0346(17) Uani 1 1 d . . . F 6
C39_6 C 0.0999(2) -0.3035(2) 0.3749(2) 0.0349(18) Uani 1 1 d . . . F 6
C40_6 C 0.1063(2) -0.3247(2) 0.4029(2) 0.0341(18) Uani 1 1 d . . . F 6
C41_6 C 0.0833(2) -0.3205(2) 0.4341(2) 0.0343(18) Uani 1 1 d . . . F 6
C42_6 C 0.0751(2) -0.3519(2) 0.4556(2) 0.0337(17) Uani 1 1 d . . . F 6
C43_6 C 0.0882(2) -0.3856(2) 0.4444(2) 0.0325(17) Uani 1 1 d . . . F 6
C44_6 C 0.0630(2) -0.4235(2) 0.44580(19) 0.0320(17) Uani 1 1 d . . . F 6
C45_6 C 0.0259(2) -0.4252(2) 0.4583(2) 0.0343(17) Uani 1 1 d . . . F 6
C46_6 C -0.0068(2) -0.4550(2) 0.4377(2) 0.0339(17) Uani 1 1 d . . . F 6
C47_6 C -0.0010(2) -0.48275(19) 0.4056(2) 0.0315(17) Uani 1 1 d . . . F 6
C48_6 C -0.0280(2) -0.49306(19) 0.3720(2) 0.0298(16) Uani 1 1 d . . . F 6
C49_6 C -0.0066(2) -0.49859(18) 0.3386(2) 0.0328(17) Uani 1 1 d . . . F 6
C50_6 C -0.0195(2) -0.48995(19) 0.3043(2) 0.0332(17) Uani 1 1 d . . . F 6
C51_6 C 0.0100(2) -0.48140(19) 0.27916(19) 0.0316(17) Uani 1 1 d . . . F 6
C52_6 C 0.0050(2) -0.4584(2) 0.25160(19) 0.0362(18) Uani 1 1 d . . . F 6
C53_6 C 0.0438(3) -0.4359(2) 0.2472(2) 0.042(2) Uani 1 1 d . . . F 6
C54_6 C 0.0477(2) -0.3973(2) 0.2424(2) 0.0393(19) Uani 1 1 d . . . F 6
C55_6 C 0.0806(2) -0.3669(2) 0.2630(2) 0.0390(19) Uani 1 1 d . . . F 6
C56_6 C 0.1071(2) -0.3763(2) 0.2874(2) 0.0374(18) Uani 1 1 d . . . F 6
C57_6 C 0.1216(2) -0.3501(2) 0.3241(2) 0.0364(18) Uani 1 1 d . . . F 6
C58_6 C 0.12582(19) -0.3742(2) 0.3516(2) 0.0352(17) Uani 1 1 d . . . F 6
C59_6 C 0.1201(2) -0.3615(2) 0.3909(2) 0.0334(17) Uani 1 1 d . . . F 6
C60_6 C 0.10938(19) -0.3918(2) 0.4110(2) 0.0327(17) Uani 1 1 d . . . F 6
C61_6 C 0.0975(2) -0.4326(2) 0.3911(2) 0.0303(16) Uani 1 1 d . . . F 6
C62_6 C 0.0689(2) -0.45208(19) 0.41240(19) 0.0284(15) Uani 1 1 d . . . F 6
C63_6 C 0.0377(2) -0.48083(19) 0.3930(2) 0.0300(16) Uani 1 1 d . . . F 6
C64_6 C 0.0335(2) -0.49179(18) 0.3513(2) 0.0285(16) Uani 1 1 d . . . F 6
C65_6 C 0.0630(2) -0.47458(19) 0.3300(2) 0.0306(16) Uani 1 1 d . . . F 6
C66_6 C 0.0502(2) -0.47415(19) 0.2923(2) 0.0326(17) Uani 1 1 d . . . F 6
C67_6 C 0.0713(2) -0.4453(2) 0.2729(2) 0.0366(18) Uani 1 1 d . . . F 6
C68_6 C 0.1028(2) -0.4162(2) 0.2928(2) 0.0370(18) Uani 1 1 d . . . F 6
C69_6 C 0.1138(2) -0.4148(2) 0.3319(2) 0.0341(17) Uani 1 1 d . . . F 6
C70_6 C 0.0959(2) -0.4442(2) 0.3509(2) 0.0292(16) Uani 1 1 d . . . F 6
C1_7 C 0.2125(2) -0.0873(2) 0.5672(2) 0.0372(18) Uani 1 1 d . . . G 7
C2_7 C 0.1737(2) -0.0975(2) 0.57767(19) 0.040(2) Uani 1 1 d . . . G 7
C3_7 C 0.1513(2) -0.0683(2) 0.5802(2) 0.0399(19) Uani 1 1 d . . . G 7
C4_7 C 0.1646(2) -0.0332(2) 0.5669(2) 0.0376(18) Uani 1 1 d . . . G 7
C5_7 C 0.2004(2) -0.0267(2) 0.5488(2) 0.0380(19) Uani 1 1 d . . . G 7
C6_7 C 0.2255(2) -0.0524(2) 0.5536(2) 0.043(2) Uani 1 1 d . . . G 7
C7_7 C 0.2530(2) -0.0589(2) 0.5267(2) 0.0398(19) Uani 1 1 d . . . G 7
C8_7 C 0.2581(2) -0.1002(2) 0.5236(2) 0.0400(19) Uani 1 1 d . . . G 7
C9_7 C 0.2323(2) -0.1165(2) 0.5483(2) 0.0412(19) Uani 1 1 d . . . G 7
C10_7 C 0.2130(2) -0.1554(2) 0.5380(2) 0.042(2) Uani 1 1 d . . . G 7
C11_7 C 0.1725(2) -0.1670(2) 0.5450(2) 0.0317(16) Uani 1 1 d . . . G 7
C12_7 C 0.1521(2) -0.1397(2) 0.56553(19) 0.0379(19) Uani 1 1 d . . . G 7
C13_7 C 0.1117(2) -0.1482(2) 0.5577(2) 0.0376(18) Uani 1 1 d . . . G 7
C14_7 C 0.0896(2) -0.1177(2) 0.5639(2) 0.0386(19) Uani 1 1 d . . . G 7
C15_7 C 0.1097(2) -0.0789(2) 0.5751(2) 0.0361(18) Uani 1 1 d . . . G 7
C16_7 C 0.0964(3) -0.0487(2) 0.5580(2) 0.044(2) Uani 1 1 d . . . G 7
C17_7 C 0.1306(2) -0.0215(2) 0.5526(2) 0.0399(19) Uani 1 1 d . . . G 7
C18_7 C 0.1321(2) -0.00605(19) 0.5208(2) 0.0370(18) Uani 1 1 d . . . G 7
C19_7 C 0.1661(2) -0.00206(19) 0.5010(2) 0.0342(17) Uani 1 1 d . . . G 7
C20_7 C 0.2007(2) -0.01046(18) 0.5148(2) 0.0331(17) Uani 1 1 d . . . G 7
C21_7 C 0.2268(2) -0.02042(19) 0.4868(2) 0.0363(18) Uani 1 1 d . . . G 7
C22_7 C 0.2543(2) -0.0442(2) 0.4944(2) 0.0365(18) Uani 1 1 d . . . G 7
C23_7 C 0.2599(2) -0.0675(2) 0.4578(3) 0.047(2) Uani 1 1 d . . . G 7
C24_7 C 0.2645(2) -0.1064(3) 0.4549(3) 0.049(2) Uani 1 1 d . . . G 7
C25_7 C 0.2636(2) -0.1217(2) 0.4881(2) 0.0384(19) Uani 1 1 d . . . G 7
C26_7 C 0.2427(2) -0.1637(2) 0.4772(2) 0.046(2) Uani 1 1 d . . . G 7
C27_7 C 0.2184(2) -0.1795(2) 0.5011(2) 0.0364(18) Uani 1 1 d . . . G 7
C28_7 C 0.1805(2) -0.2053(2) 0.4857(2) 0.0373(18) Uani 1 1 d . . . G 7
C29_7 C 0.1530(2) -0.1970(2) 0.5127(2) 0.0348(17) Uani 1 1 d . . . G 7
C30_7 C 0.1130(2) -0.20104(19) 0.5009(2) 0.0328(17) Uani 1 1 d . . . G 7
C31_7 C 0.0918(2) -0.1790(2) 0.5258(2) 0.0364(18) Uani 1 1 d . . . G 7
C32_7 C 0.0581(2) -0.1669(2) 0.5124(3) 0.043(2) Uani 1 1 d . . . G 7
C33_7 C 0.0561(2) -0.1289(2) 0.5364(2) 0.0416(19) Uani 1 1 d . . . G 7
C34_7 C 0.0437(2) -0.1014(2) 0.5204(2) 0.0406(19) Uani 1 1 d . . . G 7
C35_7 C 0.0639(2) -0.0602(2) 0.5314(2) 0.043(2) Uani 1 1 d . . . G 7
C36_7 C 0.0650(2) -0.0432(2) 0.4976(2) 0.043(2) Uani 1 1 d . . . G 7
C37_7 C 0.0977(3) -0.0172(2) 0.4920(2) 0.042(2) Uani 1 1 d . . . G 7
C38_7 C 0.1124(2) -0.0204(2) 0.4552(2) 0.0345(17) Uani 1 1 d . . . G 7
C39_7 C 0.1549(2) -0.01042(19) 0.4604(2) 0.0341(17) Uani 1 1 d . . . G 7
C40_7 C 0.1776(2) -0.0275(2) 0.4335(2) 0.0349(18) Uani 1 1 d . . . G 7
C41_7 C 0.2156(2) -0.0290(2) 0.4470(2) 0.0357(18) Uani 1 1 d . . . G 7
C42_7 C 0.2351(2) -0.0584(2) 0.4281(2) 0.042(2) Uani 1 1 d . . . G 7
C43_7 C 0.2159(2) -0.0881(2) 0.3975(2) 0.042(2) Uani 1 1 d . . . G 7
C44_7 C 0.2206(3) -0.1289(2) 0.3948(2) 0.043(2) Uani 1 1 d . . . G 7
C45_7 C 0.2442(2) -0.1364(2) 0.4221(2) 0.044(2) Uani 1 1 d . . . G 7
C46_7 C 0.2309(2) -0.1727(2) 0.4367(2) 0.0409(19) Uani 1 1 d . . . G 7
C47_7 C 0.1951(2) -0.1969(2) 0.4218(2) 0.0371(18) Uani 1 1 d . . . G 7
C48_7 C 0.1693(2) -0.21353(19) 0.4466(2) 0.0361(18) Uani 1 1 d . . . G 7
C49_7 C 0.1295(2) -0.21464(19) 0.4333(2) 0.0391(19) Uani 1 1 d . . . G 7
C50_7 C 0.1006(2) -0.21021(19) 0.4595(2) 0.0368(18) Uani 1 1 d . . . G 7
C51_7 C 0.0687(2) -0.1961(2) 0.4474(2) 0.041(2) Uani 1 1 d . . . G 7
C52_7 C 0.0467(2) -0.1754(2) 0.4740(3) 0.0398(19) Uani 1 1 d . . . G 7
C53_7 C 0.0326(2) -0.1468(2) 0.4562(2) 0.042(2) Uani 1 1 d . . . G 7
C54_7 C 0.0318(2) -0.1096(2) 0.4796(2) 0.0396(19) Uani 1 1 d . . . G 7
C55_7 C 0.0447(2) -0.0745(2) 0.4655(2) 0.0396(19) Uani 1 1 d . . . G 7
C56_7 C 0.0587(2) -0.0773(2) 0.4292(2) 0.0337(17) Uani 1 1 d . . . G 7
C57_7 C 0.0934(2) -0.0494(2) 0.4246(2) 0.0364(18) Uani 1 1 d . . . G 7
C58_7 C 0.1162(2) -0.0695(2) 0.3977(2) 0.0378(18) Uani 1 1 d . . . G 7
C59_7 C 0.1571(2) -0.0590(2) 0.4006(2) 0.0351(18) Uani 1 1 d . . . G 7
C60_7 C 0.1767(3) -0.0893(3) 0.3849(2) 0.045(2) Uani 1 1 d . . . G 7
C61_7 C 0.1550(3) -0.1308(2) 0.37298(19) 0.0380(18) Uani 1 1 d . . . G 7
C62_7 C 0.1835(3) -0.1536(2) 0.3797(2) 0.042(2) Uani 1 1 d . . . G 7
C63_7 C 0.1713(3) -0.1873(2) 0.3930(2) 0.0400(19) Uani 1 1 d . . . G 7
C64_7 C 0.1305(2) -0.1985(2) 0.4005(2) 0.0398(19) Uani 1 1 d . . . G 7
C65_7 C 0.1025(2) -0.1776(2) 0.3921(2) 0.0395(19) Uani 1 1 d . . . G 7
C66_7 C 0.0693(2) -0.1801(2) 0.4135(2) 0.041(2) Uani 1 1 d . . . G 7
C67_7 C 0.0474(2) -0.1492(2) 0.4204(2) 0.041(2) Uani 1 1 d . . . G 7
C68_7 C 0.0601(2) -0.1151(2) 0.4069(2) 0.0386(19) Uani 1 1 d . . . G 7
C69_7 C 0.0957(2) -0.1113(2) 0.3865(2) 0.041(2) Uani 1 1 d . . . G 7
C70_7 C 0.1162(3) -0.1414(2) 0.3780(2) 0.0405(19) Uani 1 1 d . . . G 7
C1_8 C 0.29463(6) 0.46375(3) 0.60857(5) 0.061(2) Uani 1 1 d G U . H 8
C2_8 C 0.32496(6) 0.45504(4) 0.63067(5) 0.069(2) Uani 1 1 d G U . H 8
C3_8 C 0.31785(6) 0.45324(4) 0.66915(4) 0.069(2) Uani 1 1 d G U . H 8
C4_8 C 0.27947(7) 0.45139(4) 0.68155(4) 0.067(2) Uani 1 1 d G U . H 8
C5_8 C 0.24728(6) 0.45110(4) 0.65601(4) 0.069(2) Uani 1 1 d G U . H 8
C6_8 C 0.25608(6) 0.46169(3) 0.62079(5) 0.061(2) Uani 1 1 d G U . H 8
C7_8 C 0.22837(6) 0.44858(4) 0.58742(5) 0.0540(19) Uani 1 1 d G U . H 8
C8_8 C 0.24982(6) 0.44296(4) 0.55359(5) 0.0452(18) Uani 1 1 d G U . H 8
C9_8 C 0.29080(6) 0.45190(4) 0.56704(5) 0.053(2) Uani 1 1 d G U . H 8
C10_8 C 0.31563(5) 0.42977(5) 0.54902(5) 0.052(2) Uani 1 1 d G U . H 8
C11_8 C 0.34505(4) 0.41856(6) 0.57111(5) 0.061(2) Uani 1 1 d G U . H 8
C12_8 C 0.35095(4) 0.43188(5) 0.61157(5) 0.068(2) Uani 1 1 d G U . H 8
C13_8 C 0.36793(4) 0.40831(6) 0.63198(5) 0.071(2) Uani 1 1 d G U . H 8
C14_8 C 0.36200(4) 0.40904(6) 0.67159(5) 0.071(2) Uani 1 1 d G U . H 8
C15_8 C 0.33762(6) 0.43105(5) 0.68976(4) 0.073(2) Uani 1 1 d G U . H 8
C16_8 C 0.31131(6) 0.41510(5) 0.71566(3) 0.068(2) Uani 1 1 d G U . H 8
C17_8 C 0.27523(7) 0.42772(5) 0.70987(3) 0.067(2) Uani 1 1 d G U . H 8
C18_8 C 0.23988(6) 0.40213(5) 0.71096(3) 0.063(2) Uani 1 1 d G U . H 8
C19_8 C 0.20763(6) 0.39961(6) 0.68330(4) 0.062(2) Uani 1 1 d G U . H 8
C20_8 C 0.20992(6) 0.42445(5) 0.65710(4) 0.065(2) Uani 1 1 d G U . H 8
C21_8 C 0.18402(5) 0.40988(6) 0.62293(5) 0.062(2) Uani 1 1 d G U . H 8
C22_8 C 0.19284(5) 0.42335(5) 0.58826(5) 0.0566(19) Uani 1 1 d G U . H 8
C23_8 C 0.17704(4) 0.39100(6) 0.55557(5) 0.0490(18) Uani 1 1 d G U . H 8
C24_8 C 0.19766(5) 0.38502(5) 0.52294(4) 0.0399(16) Uani 1 1 d G U . H 8
C25_8 C 0.23500(5) 0.41177(5) 0.52226(4) 0.0384(16) Uani 1 1 d G U . H 8
C26_8 C 0.26087(5) 0.38894(5) 0.50326(4) 0.0357(16) Uani 1 1 d G U . H 8
C27_8 C 0.30024(5) 0.39749(5) 0.51612(4) 0.0452(18) Uani 1 1 d G U . H 8
C28_8 C 0.31992(5) 0.36628(6) 0.51894(4) 0.0510(19) Uani 1 1 d G U . H 8
C29_8 C 0.34767(4) 0.37929(6) 0.55295(5) 0.058(2) Uani 1 1 d G U . H 8
C30_8 C 0.35647(4) 0.35247(6) 0.57427(5) 0.064(2) Uani 1 1 d G U . H 8
C31_8 C 0.37058(3) 0.36881(6) 0.61348(5) 0.065(2) Uani 1 1 d G U . H 8
C32_8 C 0.36659(4) 0.34505(6) 0.64165(5) 0.063(2) Uani 1 1 d G U . H 8
C33_8 C 0.36141(4) 0.36990(6) 0.67814(5) 0.064(2) Uani 1 1 d G U . H 8
C34_8 C 0.33623(5) 0.35399(6) 0.70246(4) 0.052(2) Uani 1 1 d G U . H 8
C35_8 C 0.31043(6) 0.37778(5) 0.72147(3) 0.055(2) Uani 1 1 d G U . H 8
C36_8 C 0.27318(6) 0.35132(5) 0.72261(3) 0.0489(18) Uani 1 1 d G U . H 8
C37_8 C 0.23860(6) 0.36363(6) 0.71750(3) 0.0540(19) Uani 1 1 d G U . H 8
C38_8 C 0.20587(5) 0.33661(6) 0.69349(4) 0.0543(19) Uani 1 1 d G U . H 8
C39_8 C 0.18632(5) 0.35927(6) 0.67243(5) 0.062(2) Uani 1 1 d G U . H 8
C40_8 C 0.16727(4) 0.34278(6) 0.63567(5) 0.059(2) Uani 1 1 d G U . H 8
C41_8 C 0.16316(4) 0.36989(6) 0.61223(5) 0.061(2) Uani 1 1 d G U . H 8
C42_8 C 0.15878(4) 0.35761(6) 0.57068(5) 0.058(2) Uani 1 1 d G U . H 8
C43_8 C 0.16160(4) 0.32007(6) 0.55282(5) 0.059(2) Uani 1 1 d G U . H 8
C44_8 C 0.18249(5) 0.31366(5) 0.51899(4) 0.052(2) Uani 1 1 d G U . H 8
C45_8 C 0.20051(5) 0.34529(5) 0.50450(4) 0.0466(18) Uani 1 1 d G U . H 8
C46_8 C 0.23929(6) 0.34736(5) 0.49199(3) 0.0420(17) Uani 1 1 d G U . H 8
C47_8 C 0.25879(6) 0.31793(5) 0.49477(3) 0.0498(18) Uani 1 1 d G U . H 8
C48_8 C 0.29968(6) 0.32742(6) 0.50847(4) 0.0522(19) Uani 1 1 d G U . H 8
C49_8 C 0.30620(6) 0.30009(5) 0.53162(4) 0.060(2) Uani 1 1 d G U . H 8
C50_8 C 0.33490(5) 0.31150(6) 0.56355(5) 0.061(2) Uani 1 1 d G U . H 8
C51_8 C 0.32936(5) 0.28963(5) 0.59215(5) 0.064(2) Uani 1 1 d G U . H 8
C52_8 C 0.34625(5) 0.30623(6) 0.63120(5) 0.058(2) Uani 1 1 d G U . H 8
C53_8 C 0.32026(5) 0.29032(5) 0.65669(5) 0.0505(19) Uani 1 1 d G U . H 8
C54_8 C 0.31467(5) 0.31372(5) 0.69131(4) 0.0441(17) Uani 1 1 d G U . H 8
C55_8 C 0.27608(6) 0.31182(5) 0.70402(4) 0.0410(17) Uani 1 1 d G U . H 8
C56_8 C 0.24427(5) 0.28628(5) 0.68110(4) 0.0428(17) Uani 1 1 d G U . H 8
C57_8 C 0.20855(5) 0.29934(5) 0.67573(5) 0.0492(19) Uani 1 1 d G U . H 8
C58_8 C 0.19189(4) 0.28231(5) 0.63654(5) 0.052(2) Uani 1 1 d G U . H 8
C59_8 C 0.17009(4) 0.30282(5) 0.61677(5) 0.058(2) Uani 1 1 d G U . H 8
C60_8 C 0.16856(4) 0.29268(5) 0.57598(5) 0.060(2) Uani 1 1 d G U . H 8
C61_8 C 0.19390(5) 0.26985(4) 0.55699(5) 0.059(2) Uani 1 1 d G U . H 8
C62_8 C 0.20289(6) 0.28279(4) 0.52188(4) 0.056(2) Uani 1 1 d G U . H 8
C63_8 C 0.24003(6) 0.28474(4) 0.51010(3) 0.057(2) Uani 1 1 d G U . H 8
C64_8 C 0.26921(6) 0.27387(4) 0.53240(4) 0.062(2) Uani 1 1 d G U . H 8
C65_8 C 0.26072(6) 0.25847(3) 0.56524(4) 0.057(2) Uani 1 1 d G U . H 8
C66_8 C 0.29256(6) 0.26327(4) 0.59301(5) 0.060(2) Uani 1 1 d G U . H 8
C67_8 C 0.28678(6) 0.26368(4) 0.63248(5) 0.0497(19) Uani 1 1 d G U . H 8
C68_8 C 0.24984(6) 0.26195(4) 0.64467(5) 0.0483(19) Uani 1 1 d G U . H 8
C69_8 C 0.21717(5) 0.25937(4) 0.61734(5) 0.0488(19) Uani 1 1 d G U . H 8
C70_8 C 0.22177(6) 0.25656(3) 0.57798(5) 0.056(2) Uani 1 1 d G U . H 8
C1_9 C 0.41599(7) 0.53934(5) 0.70806(7) 0.090(4) Uiso 1 1 d G . . I 9
C2_9 C 0.42567(7) 0.55009(5) 0.67318(6) 0.111(5) Uiso 1 1 d G . . I 9
C3_9 C 0.39349(8) 0.54970(5) 0.64719(6) 0.083(3) Uiso 1 1 d G . . I 9
C4_9 C 0.35497(7) 0.54741(5) 0.65931(6) 0.108(4) Uiso 1 1 d G . . I 9
C5_9 C 0.34756(6) 0.54571(5) 0.69749(7) 0.083(3) Uiso 1 1 d G . . I 9
C6_9 C 0.37750(7) 0.53728(5) 0.72044(7) 0.102(4) Uiso 1 1 d G . . I 9
C7_9 C 0.38094(7) 0.54918(6) 0.76153(7) 0.073(3) Uiso 1 1 d G . . I 9
C8_9 C 0.42223(7) 0.55824(6) 0.77534(7) 0.053(2) Uiso 1 1 d G . . I 9
C9_9 C 0.44374(7) 0.55257(6) 0.74200(7) 0.069(3) Uiso 1 1 d G . . I 9
C10_9 C 0.47903(6) 0.57792(7) 0.74078(7) 0.072(3) Uiso 1 1 d G . . I 9
C11_9 C 0.48833(6) 0.59110(7) 0.70628(7) 0.096(4) Uiso 1 1 d G . . I 9
C12_9 C 0.46276(7) 0.57663(6) 0.67207(6) 0.086(3) Uiso 1 1 d G . . I 9
C13_9 C 0.46530(7) 0.60119(7) 0.64536(6) 0.109(5) Uiso 1 1 d G . . I 9
C14_9 C 0.43289(8) 0.59829(7) 0.61792(5) 0.085(3) Uiso 1 1 d G . . I 9
C15_9 C 0.39786(8) 0.57308(7) 0.61878(5) 0.108(4) Uiso 1 1 d G . . I 9
C16_9 C 0.36145(7) 0.58560(7) 0.61282(5) 0.101(4) Uiso 1 1 d G . . I 9
C17_9 C 0.33531(7) 0.56971(6) 0.63849(6) 0.093(4) Uiso 1 1 d G . . I 9
C18_9 C 0.31054(5) 0.59210(7) 0.65654(7) 0.102(4) Uiso 1 1 d G . . I 9
C19_9 C 0.30490(5) 0.59271(7) 0.69629(7) 0.092(4) Uiso 1 1 d G . . I 9
C20_9 C 0.32135(5) 0.56893(6) 0.71663(7) 0.099(4) Uiso 1 1 d G . . I 9
C21_9 C 0.32697(5) 0.58255(7) 0.75724(7) 0.086(3) Uiso 1 1 d G . . I 9
C22_9 C 0.35612(7) 0.57119(7) 0.77985(7) 0.071(3) Uiso 1 1 d G . . I 9
C23_9 C 0.37127(7) 0.60359(7) 0.81270(6) 0.090(4) Uiso 1 1 d G . . I 9
C24_9 C 0.41111(7) 0.61287(7) 0.82603(5) 0.070(3) Uiso 1 1 d G . . I 9
C25_9 C 0.43700(7) 0.58955(7) 0.80663(6) 0.048(2) Uiso 1 1 d G . . I 9
C26_9 C 0.47391(7) 0.61573(7) 0.80554(6) 0.048(2) Uiso 1 1 d G . . I 9
C27_9 C 0.49458(6) 0.61031(7) 0.77354(7) 0.059(2) Uiso 1 1 d G . . I 9
C28_9 C 0.51263(5) 0.64346(7) 0.75859(7) 0.087(4) Uiso 1 1 d G . . I 9
C29_9 C 0.50880(5) 0.63165(7) 0.71695(7) 0.092(4) Uiso 1 1 d G . . I 9
C30_9 C 0.50470(5) 0.65862(7) 0.69402(7) 0.101(4) Uiso 1 1 d G . . I 9
C31_9 C 0.48602(6) 0.64193(8) 0.65629(6) 0.092(4) Uiso 1 1 d G . . I 9
C32_9 C 0.46672(7) 0.66437(8) 0.63544(6) 0.095(4) Uiso 1 1 d G . . I 9
C33_9 C 0.43355(7) 0.63740(8) 0.61124(5) 0.103(4) Uiso 1 1 d G . . I 9
C34_9 C 0.39913(8) 0.65002(8) 0.60586(5) 0.087(4) Uiso 1 1 d G . . I 9
C35_9 C 0.36213(7) 0.62290(7) 0.60694(5) 0.090(4) Uiso 1 1 d G . . I 9
C36_9 C 0.33593(7) 0.64594(8) 0.62597(6) 0.071(3) Uiso 1 1 d G . . I 9
C37_9 C 0.31055(6) 0.63049(8) 0.65025(7) 0.084(3) Uiso 1 1 d G . . I 9
C38_9 C 0.30556(5) 0.65554(8) 0.68625(7) 0.086(4) Uiso 1 1 d G . . I 9
C39_9 C 0.30159(4) 0.63171(8) 0.71489(7) 0.099(4) Uiso 1 1 d G . . I 9
C40_9 C 0.31471(5) 0.64802(8) 0.75350(7) 0.096(4) Uiso 1 1 d G . . I 9
C41_9 C 0.32389(5) 0.62126(8) 0.77544(7) 0.107(4) Uiso 1 1 d G . . I 9
C42_9 C 0.35123(7) 0.63487(8) 0.80967(6) 0.085(3) Uiso 1 1 d G . . I 9
C43_9 C 0.37138(7) 0.67367(7) 0.82009(5) 0.111(5) Uiso 1 1 d G . . I 9
C44_9 C 0.41236(8) 0.68346(7) 0.83423(4) 0.105(4) Uiso 1 1 d G . . I 9
C45_9 C 0.43199(7) 0.65389(7) 0.83682(4) 0.084(3) Uiso 1 1 d G . . I 9
C46_9 C 0.47088(7) 0.65599(7) 0.82456(5) 0.075(3) Uiso 1 1 d G . . I 9
C47_9 C 0.48855(6) 0.68737(7) 0.80981(6) 0.073(3) Uiso 1 1 d G . . I 9
C48_9 C 0.50971(5) 0.68112(7) 0.77634(7) 0.084(3) Uiso 1 1 d G . . I 9
C49_9 C 0.50265(5) 0.70834(6) 0.75326(7) 0.096(4) Uiso 1 1 d G . . I 9
C50_9 C 0.50125(5) 0.69828(7) 0.71264(7) 0.089(4) Uiso 1 1 d G . . I 9
C51_9 C 0.48010(6) 0.71861(6) 0.69243(7) 0.097(4) Uiso 1 1 d G . . I 9
C52_9 C 0.46370(7) 0.70195(7) 0.65326(6) 0.092(4) Uiso 1 1 d G . . I 9
C53_9 C 0.42782(7) 0.71447(7) 0.64743(6) 0.068(3) Uiso 1 1 d G . . I 9
C54_9 C 0.39584(7) 0.68898(7) 0.62482(6) 0.064(3) Uiso 1 1 d G . . I 9
C55_9 C 0.35693(7) 0.68676(7) 0.63680(6) 0.050(2) Uiso 1 1 d G . . I 9
C56_9 C 0.35168(7) 0.71036(7) 0.67150(7) 0.049(2) Uiso 1 1 d G . . I 9
C57_9 C 0.32548(6) 0.69406(7) 0.69668(7) 0.083(3) Uiso 1 1 d G . . I 9
C58_9 C 0.34222(6) 0.71122(7) 0.73582(7) 0.091(4) Uiso 1 1 d G . . I 9
C59_9 C 0.33594(6) 0.68929(7) 0.76466(6) 0.103(4) Uiso 1 1 d G . . I 9
C60_9 C 0.36467(7) 0.70098(7) 0.79676(6) 0.079(3) Uiso 1 1 d G . . I 9
C61_9 C 0.40117(8) 0.72715(6) 0.79597(6) 0.115(5) Uiso 1 1 d G . . I 9
C62_9 C 0.43086(8) 0.71636(6) 0.81883(5) 0.090(4) Uiso 1 1 d G . . I 9
C63_9 C 0.46794(7) 0.71840(6) 0.80692(6) 0.105(4) Uiso 1 1 d G . . I 9
C64_9 C 0.47686(6) 0.73121(5) 0.77241(6) 0.089(4) Uiso 1 1 d G . . I 9
C65_9 C 0.44954(7) 0.74457(5) 0.75092(7) 0.089(4) Uiso 1 1 d G . . I 9
C66_9 C 0.45445(7) 0.74164(5) 0.71144(7) 0.080(3) Uiso 1 1 d G . . I 9
C67_9 C 0.42230(7) 0.73909(5) 0.68402(7) 0.071(3) Uiso 1 1 d G . . I 9
C68_9 C 0.38504(7) 0.73687(6) 0.69547(7) 0.068(3) Uiso 1 1 d G . . I 9
C69_9 C 0.37884(7) 0.73750(5) 0.73523(7) 0.101(4) Uiso 1 1 d G . . I 9
C70_9 C 0.41033(7) 0.74231(5) 0.76310(6) 0.090(4) Uiso 1 1 d G . . I 9
C1_10 C 0.5937(2) 1.1822(2) 0.9213(2) 0.0345(17) Uani 1 1 d . . . J 10
C2_10 C 0.5620(2) 1.1787(2) 0.94399(19) 0.0335(17) Uani 1 1 d . . . J 10
C3_10 C 0.5324(2) 1.19854(19) 0.93727(19) 0.0322(17) Uani 1 1 d . . . J 10
C4_10 C 0.5309(2) 1.21488(18) 0.9040(2) 0.0318(17) Uani 1 1 d . . . J 10
C5_10 C 0.5584(2) 1.21107(17) 0.8768(2) 0.0281(16) Uani 1 1 d . . . J 10
C6_10 C 0.5917(2) 1.19774(19) 0.8873(2) 0.0321(17) Uani 1 1 d . . . J 10
C7_10 C 0.61399(19) 1.1782(2) 0.8595(2) 0.0315(16) Uani 1 1 d . . . J 10
C8_10 C 0.62925(19) 1.1502(2) 0.8758(2) 0.0336(17) Uani 1 1 d . . . J 10
C9_10 C 0.6164(2) 1.1520(2) 0.9130(2) 0.0346(17) Uani 1 1 d . . . J 10
C10_10 C 0.6059(2) 1.1179(2) 0.9268(2) 0.0361(18) Uani 1 1 d . . . J 10
C11_10 C 0.5723(2) 1.1129(2) 0.94852(19) 0.0335(17) Uani 1 1 d . . . J 10
C12_10 C 0.5503(2) 1.1423(2) 0.95828(18) 0.0347(17) Uani 1 1 d . . . J 10
C13_10 C 0.5114(2) 1.1297(2) 0.96499(18) 0.0330(17) Uani 1 1 d . . . J 10
C14_10 C 0.4827(2) 1.1525(2) 0.9600(2) 0.0341(17) Uani 1 1 d . . . J 10
C15_10 C 0.4929(2) 1.1869(2) 0.94653(19) 0.0335(17) Uani 1 1 d . . . J 10
C16_10 C 0.4669(2) 1.1960(2) 0.9194(2) 0.0342(17) Uani 1 1 d . . . J 10
C17_10 C 0.4901(2) 1.21294(17) 0.8926(2) 0.0290(16) Uani 1 1 d . U . J 10
C18_10 C 0.4773(2) 1.20415(18) 0.8542(2) 0.0303(16) Uani 1 1 d . . . J 10
C19_10 C 0.5039(2) 1.19746(19) 0.8256(2) 0.0279(15) Uani 1 1 d . . . J 10
C20_10 C 0.5442(2) 1.20122(17) 0.83564(19) 0.0278(15) Uani 1 1 d . . . J 10
C21_10 C 0.5645(2) 1.17986(19) 0.8094(2) 0.0279(15) Uani 1 1 d . . . J 10
C22_10 C 0.59985(19) 1.16947(19) 0.8210(2) 0.0302(16) Uani 1 1 d . . . J 10
C23_10 C 0.6021(2) 1.1321(2) 0.7965(2) 0.0309(16) Uani 1 1 d . . . J 10
C24_10 C 0.61748(19) 1.1049(2) 0.8121(2) 0.0331(17) Uani 1 1 d . . . J 10
C25_10 C 0.6304(2) 1.1132(2) 0.8517(2) 0.0354(17) Uani 1 1 d . . . J 10
C26_10 C 0.61999(19) 1.0782(2) 0.8668(2) 0.0336(17) Uani 1 1 d . . . J 10
C27_10 C 0.6080(2) 1.0802(2) 0.9031(2) 0.0325(17) Uani 1 1 d . . . J 10
C28_10 C 0.5744(2) 1.0515(2) 0.9095(2) 0.0334(17) Uani 1 1 d . . . J 10
C29_10 C 0.5526(2) 1.0711(2) 0.93728(19) 0.0314(16) Uani 1 1 d . . . J 10
C30_10 C 0.5119(2) 1.0597(2) 0.93639(19) 0.0325(17) Uani 1 1 d . . . J 10
C31_10 C 0.4920(2) 1.0887(2) 0.95368(19) 0.0335(17) Uani 1 1 d . . . J 10
C32_10 C 0.4512(2) 1.0861(2) 0.9426(2) 0.0349(17) Uani 1 1 d . . . J 10
C33_10 C 0.4453(2) 1.1261(2) 0.9469(2) 0.0359(18) Uani 1 1 d . . . J 10
C34_10 C 0.4195(2) 1.1341(2) 0.9200(2) 0.0349(17) Uani 1 1 d . . . J 10
C35_10 C 0.4307(2) 1.1703(2) 0.9060(2) 0.0338(17) Uani 1 1 d . . . J 10
C36_10 C 0.4170(2) 1.1613(2) 0.8658(2) 0.0374(18) Uani 1 1 d . . . J 10
C37_10 C 0.4395(2) 1.1776(2) 0.8406(2) 0.0335(17) Uani 1 1 d . . . J 10
C38_10 C 0.4439(2) 1.1546(2) 0.8035(2) 0.0303(16) Uani 1 1 d . . . J 10
C39_10 C 0.4834(2) 1.16598(19) 0.79416(19) 0.0268(15) Uani 1 1 d . . . J 10
C40_10 C 0.5032(2) 1.13951(19) 0.77241(17) 0.0259(15) Uani 1 1 d . . . J 10
C41_10 C 0.5440(2) 1.14909(19) 0.77783(19) 0.0285(16) Uani 1 1 d . . . J 10
C42_10 C 0.5673(2) 1.1192(2) 0.77013(19) 0.0294(16) Uani 1 1 d . . . J 10
C43_10 C 0.5484(2) 1.0799(2) 0.75971(18) 0.0318(16) Uani 1 1 d . . . J 10
C44_10 C 0.5644(2) 1.0512(2) 0.7752(2) 0.0318(17) Uani 1 1 d . . . J 10
C45_10 C 0.5974(2) 1.0627(2) 0.8009(2) 0.0330(17) Uani 1 1 d . . . J 10
C46_10 C 0.5993(2) 1.0461(2) 0.8347(2) 0.0341(17) Uani 1 1 d . . . J 10
C47_10 C 0.5676(2) 1.0191(2) 0.8414(2) 0.0339(17) Uani 1 1 d . . . J 10
C48_10 C 0.5552(2) 1.02195(19) 0.8792(2) 0.0301(16) Uani 1 1 d . . . J 10
C49_10 C 0.5126(2) 1.01084(19) 0.8761(2) 0.0288(16) Uani 1 1 d . . . J 10
C50_10 C 0.4907(2) 1.02809(18) 0.90473(19) 0.0284(16) Uani 1 1 d . . . J 10
C51_10 C 0.4524(2) 1.02805(19) 0.8924(2) 0.0311(16) Uani 1 1 d . . . J 10
C52_10 C 0.4318(2) 1.0568(2) 0.9123(2) 0.0342(17) Uani 1 1 d . . . J 10
C53_10 C 0.4050(2) 1.0650(2) 0.8851(2) 0.0372(18) Uani 1 1 d . . . J 10
C54_10 C 0.3990(2) 1.1030(2) 0.8885(2) 0.0379(18) Uani 1 1 d . . . J 10
C55_10 C 0.39722(19) 1.1190(2) 0.8548(2) 0.0356(18) Uani 1 1 d . . . J 10
C56_10 C 0.40175(19) 1.0973(2) 0.8190(2) 0.0353(18) Uani 1 1 d . . . J 10
C57_10 C 0.42560(19) 1.1146(2) 0.79326(19) 0.0297(16) Uani 1 1 d . . . J 10
C58_10 C 0.4458(2) 1.0861(2) 0.77300(19) 0.0316(16) Uani 1 1 d . . . J 10
C59_10 C 0.4834(2) 1.0975(2) 0.76143(17) 0.0283(16) Uani 1 1 d . . . J 10
C60_10 C 0.5067(2) 1.0689(2) 0.75678(18) 0.0302(16) Uani 1 1 d . . . J 10
C61_10 C 0.4958(2) 1.03388(19) 0.77058(19) 0.0295(16) Uani 1 1 d . . . J 10
C62_10 C 0.5312(2) 1.0233(2) 0.7824(2) 0.0322(17) Uani 1 1 d . . . J 10
C63_10 C 0.5326(2) 1.00735(17) 0.81485(19) 0.0280(15) Uani 1 1 d . . . J 10
C64_10 C 0.4996(2) 1.00283(18) 0.8366(2) 0.0304(16) Uani 1 1 d . . . J 10
C65_10 C 0.4634(2) 1.01015(19) 0.8238(2) 0.0328(17) Uani 1 1 d . . . J 10
C66_10 C 0.43851(19) 1.01911(18) 0.8526(2) 0.0293(16) Uani 1 1 d . . . J 10
C67_10 C 0.40975(19) 1.0419(2) 0.8476(2) 0.0343(17) Uani 1 1 d . . . J 10
C68_10 C 0.40792(19) 1.0572(2) 0.8158(2) 0.0349(17) Uani 1 1 d . . . J 10
C69_10 C 0.4345(2) 1.0509(2) 0.7873(2) 0.0320(16) Uani 1 1 d . . . J 10
C70_10 C 0.4617(2) 1.02620(19) 0.7898(2) 0.0300(16) Uani 1 1 d . . . J 10
C1_11 C 0.5828(2) 1.3201(2) 0.8998(2) 0.0331(17) Uani 1 1 d . . . K 11
C2_11 C 0.5579(2) 1.3239(2) 0.9286(2) 0.0339(17) Uani 1 1 d . . . K 11
C3_11 C 0.5612(2) 1.3031(2) 0.9576(2) 0.0383(18) Uani 1 1 d . . . K 11
C4_11 C 0.5944(2) 1.28562(19) 0.9608(2) 0.0345(17) Uani 1 1 d . . . K 11
C5_11 C 0.6242(2) 1.28888(19) 0.9360(2) 0.0343(17) Uani 1 1 d . . . K 11
C6_11 C 0.6161(2) 1.3031(2) 0.9025(2) 0.0364(18) Uani 1 1 d . . . K 11
C7_11 C 0.6467(2) 1.3223(2) 0.8838(2) 0.0337(17) Uani 1 1 d . . . K 11
C8_11 C 0.6333(2) 1.3519(2) 0.86827(18) 0.0331(17) Uani 1 1 d . . . K 11
C9_11 C 0.5939(2) 1.3507(2) 0.87812(18) 0.0324(17) Uani 1 1 d . . . K 11
C10_11 C 0.5804(2) 1.3856(2) 0.88797(19) 0.0324(17) Uani 1 1 d . . . K 11
C11_11 C 0.55675(19) 1.3910(2) 0.9191(2) 0.0300(16) Uani 1 1 d . . . K 11
C12_11 C 0.54384(19) 1.3611(2) 0.9393(2) 0.0336(17) Uani 1 1 d . . . K 11
C13_11 C 0.53534(18) 1.3736(2) 0.9775(2) 0.0321(16) Uani 1 1 d . . . K 11
C14_11 C 0.5366(2) 1.3504(2) 1.0054(2) 0.0376(18) Uani 1 1 d . . . K 11
C15_11 C 0.5497(2) 1.3154(2) 0.9952(2) 0.0387(18) Uani 1 1 d . . . K 11
C16_11 C 0.5751(2) 1.3052(2) 1.0229(2) 0.0407(19) Uani 1 1 d . . . K 11
C17_11 C 0.6029(2) 1.28628(19) 1.0008(2) 0.0399(19) Uani 1 1 d . . . K 11
C18_11 C 0.6415(2) 1.2937(2) 1.0163(2) 0.0390(19) Uani 1 1 d . . . K 11
C19_11 C 0.6722(2) 1.3001(2) 0.9921(2) 0.0350(17) Uani 1 1 d . . . K 11
C20_11 C 0.6646(2) 1.29668(19) 0.9519(2) 0.0359(18) Uani 1 1 d . . . K 11
C21_11 C 0.6942(2) 1.3181(2) 0.9343(2) 0.0342(17) Uani 1 1 d . . . K 11
C22_11 C 0.6852(2) 1.3290(2) 0.8992(2) 0.0362(18) Uani 1 1 d . . . K 11
C23_11 C 0.7112(2) 1.3660(2) 0.8988(2) 0.0375(18) Uani 1 1 d . . . K 11
C24_11 C 0.6979(2) 1.3946(2) 0.8840(2) 0.0390(18) Uani 1 1 d . . . K 11
C25_11 C 0.6583(2) 1.3876(2) 0.86833(19) 0.0370(18) Uani 1 1 d . . . K 11
C26_11 C 0.6442(2) 1.4233(2) 0.8780(2) 0.0372(18) Uani 1 1 d . . . K 11
C27_11 C 0.6066(2) 1.4227(2) 0.8878(2) 0.0336(17) Uani 1 1 d . . . K 11
C28_11 C 0.5989(2) 1.4512(2) 0.9201(2) 0.0362(18) Uani 1 1 d . . . K 11
C29_11 C 0.5681(2) 1.4321(2) 0.9396(2) 0.0317(16) Uani 1 1 d . . . K 11
C30_11 C 0.5668(2) 1.4433(2) 0.9793(2) 0.0311(16) Uani 1 1 d . . . K 11
C31_11 C 0.5468(2) 1.4142(2) 0.9973(2) 0.0335(17) Uani 1 1 d . . . K 11
C32_11 C 0.5552(2) 1.4162(2) 1.0372(2) 0.0351(17) Uani 1 1 d . . . K 11
C33_11 C 0.5492(2) 1.3755(2) 1.0425(2) 0.0412(19) Uani 1 1 d . . . K 11
C34_11 C 0.5735(2) 1.3668(2) 1.0690(2) 0.0375(18) Uani 1 1 d . . . K 11
C35_11 C 0.5871(2) 1.3295(2) 1.0586(2) 0.042(2) Uani 1 1 d . . . K 11
C36_11 C 0.6268(3) 1.3371(2) 1.0743(2) 0.042(2) Uani 1 1 d . . . K 11
C37_11 C 0.6541(2) 1.3196(2) 1.0538(2) 0.0354(18) Uani 1 1 d . . . K 11
C38_11 C 0.6927(2) 1.3424(2) 1.0521(2) 0.0358(18) Uani 1 1 d . . . K 11
C39_11 C 0.7042(2) 1.3299(2) 1.0142(2) 0.0336(17) Uani 1 1 d . . . K 11
C40_11 C 0.7288(2) 1.3568(2) 0.9964(2) 0.0330(17) Uani 1 1 d . . . K 11
C41_11 C 0.7257(2) 1.3477(2) 0.9564(2) 0.0369(18) Uani 1 1 d . . . K 11
C42_11 C 0.7364(2) 1.3772(2) 0.9346(2) 0.0359(17) Uani 1 1 d . . . K 11
C43_11 C 0.74739(19) 1.4168(2) 0.9536(2) 0.0333(17) Uani 1 1 d . . . K 11
C44_11 C 0.7335(2) 1.4463(2) 0.9381(2) 0.0360(18) Uani 1 1 d . . . K 11
C45_11 C 0.7099(2) 1.4357(2) 0.9041(2) 0.0380(19) Uani 1 1 d . . . K 11
C46_11 C 0.6767(2) 1.4538(2) 0.9004(2) 0.0362(18) Uani 1 1 d . . . K 11
C47_11 C 0.6690(2) 1.4812(2) 0.9313(2) 0.0338(17) Uani 1 1 d . . . K 11
C48_11 C 0.6292(2) 1.47949(19) 0.9410(2) 0.0332(17) Uani 1 1 d . . . K 11
C49_11 C 0.6302(2) 1.49043(19) 0.9828(2) 0.0341(17) Uani 1 1 d . . . K 11
C50_11 C 0.5990(2) 1.4743(2) 1.0025(2) 0.0337(17) Uani 1 1 d . . . K 11
C51_11 C 0.6086(2) 1.47286(19) 1.0406(2) 0.0321(17) Uani 1 1 d . . . K 11
C52_11 C 0.5857(2) 1.4448(2) 1.0589(2) 0.0350(17) Uani 1 1 d . . . K 11
C53_11 C 0.6105(2) 1.4347(2) 1.0861(2) 0.0401(19) Uani 1 1 d . . . K 11
C54_11 C 0.6055(2) 1.3959(2) 1.0909(2) 0.0394(19) Uani 1 1 d . . . K 11
C55_11 C 0.6388(3) 1.3786(2) 1.09521(19) 0.0402(19) Uani 1 1 d . . . K 11
C56_11 C 0.6759(2) 1.3999(2) 1.09370(19) 0.0374(18) Uani 1 1 d . . . K 11
C57_11 C 0.7033(2) 1.3814(2) 1.0713(2) 0.0361(18) Uani 1 1 d . . . K 11
C58_11 C 0.7265(2) 1.4096(2) 1.0527(2) 0.0335(17) Uani 1 1 d . . . K 11
C59_11 C 0.74075(18) 1.3985(2) 1.0175(2) 0.0316(16) Uani 1 1 d . . . K 11
C60_11 C 0.7483(2) 1.4273(2) 0.9950(2) 0.0356(17) Uani 1 1 d . . . K 11
C61_11 C 0.7345(2) 1.4630(2) 1.0052(2) 0.0335(17) Uani 1 1 d . . . K 11
C62_11 C 0.7258(2) 1.4748(2) 0.9704(2) 0.0349(17) Uani 1 1 d . . . K 11
C63_11 C 0.6941(2) 1.4923(2) 0.9673(2) 0.0370(18) Uani 1 1 d . . . K 11
C64_11 C 0.6700(2) 1.49753(19) 0.9982(2) 0.0335(17) Uani 1 1 d . . . K 11
C65_11 C 0.6796(2) 1.48851(19) 1.0342(2) 0.0341(17) Uani 1 1 d . . . K 11
C66_11 C 0.6486(2) 1.48069(19) 1.0567(2) 0.0307(16) Uani 1 1 d . . . K 11
C67_11 C 0.6504(2) 1.4569(2) 1.08433(19) 0.0357(18) Uani 1 1 d . . . K 11
C68_11 C 0.6822(2) 1.4401(2) 1.08795(19) 0.0354(18) Uani 1 1 d . . . K 11
C69_11 C 0.7129(2) 1.4459(2) 1.0639(2) 0.0353(18) Uani 1 1 d . . . K 11
C70_11 C 0.7134(2) 1.4711(2) 1.0374(2) 0.0316(16) Uani 1 1 d . . . K 11
C1_12 C 0.6915(2) 1.7855(2) 1.0500(2) 0.0371(15) Uani 1 1 d . U . L 12
C2_12 C 0.6903(2) 1.7907(2) 1.0904(2) 0.0426(16) Uani 1 1 d . U . L 12
C3_12 C 0.7139(2) 1.7697(2) 1.1078(3) 0.0524(18) Uani 1 1 d . U . L 12
C4_12 C 0.7432(3) 1.7529(2) 1.0882(3) 0.0549(19) Uani 1 1 d . U . L 12
C5_12 C 0.7491(2) 1.7553(2) 1.0503(3) 0.0469(17) Uani 1 1 d . U . L 12
C6_12 C 0.7204(2) 1.7684(2) 1.0309(2) 0.0425(17) Uani 1 1 d . U . L 12
C7_12 C 0.7302(2) 1.7871(2) 0.9993(2) 0.0460(18) Uani 1 1 d . U . L 12
C8_12 C 0.7064(2) 1.8149(2) 0.9988(2) 0.0367(15) Uani 1 1 d . U . L 12
C9_12 C 0.6826(2) 1.8143(2) 1.0303(2) 0.0334(15) Uani 1 1 d . U . L 12
C10_12 C 0.67579(19) 1.8498(2) 1.0514(2) 0.0329(14) Uani 1 1 d . U . L 12
C11_12 C 0.6774(2) 1.8566(2) 1.0927(2) 0.0388(15) Uani 1 1 d . U . L 12
C12_12 C 0.6830(2) 1.8274(3) 1.1123(2) 0.0443(16) Uani 1 1 d . U . L 12
C13_12 C 0.6995(2) 1.8405(3) 1.1507(2) 0.0531(18) Uani 1 1 d . U . L 12
C14_12 C 0.7205(2) 1.8171(3) 1.1689(3) 0.0565(19) Uani 1 1 d . U . L 12
C15_12 C 0.7279(3) 1.7830(3) 1.1485(3) 0.0579(19) Uani 1 1 d . U . L 12
C16_12 C 0.7649(3) 1.7732(3) 1.1541(3) 0.0574(19) Uani 1 1 d . U . L 12
C17_12 C 0.7748(3) 1.7549(2) 1.1164(3) 0.0550(19) Uani 1 1 d . U . L 12
C18_12 C 0.8122(3) 1.7617(2) 1.1075(3) 0.0543(18) Uani 1 1 d . U . L 12
C19_12 C 0.8204(3) 1.7674(2) 1.0701(3) 0.0524(18) Uani 1 1 d . U . L 12
C20_12 C 0.7896(3) 1.7627(2) 1.0406(3) 0.0534(19) Uani 1 1 d . U . L 12
C21_12 C 0.7984(3) 1.7832(3) 1.0116(2) 0.057(2) Uani 1 1 d . U . L 12
C22_12 C 0.7681(3) 1.7934(3) 0.9895(2) 0.0520(19) Uani 1 1 d . U . L 12
C23_12 C 0.7844(3) 1.8304(3) 0.9791(2) 0.0534(18) Uani 1 1 d . U . L 12
C24_12 C 0.7620(2) 1.8587(3) 0.9791(2) 0.0498(18) Uani 1 1 d . U . L 12
C25_12 C 0.7223(2) 1.8506(2) 0.9889(2) 0.0404(16) Uani 1 1 d . U . L 12
C26_12 C 0.7146(2) 1.8870(2) 1.0107(2) 0.0364(15) Uani 1 1 d . U . L 12
C27_12 C 0.6924(2) 1.8866(2) 1.0406(2) 0.0346(15) Uani 1 1 d . U . L 12
C28_12 C 0.7039(2) 1.9158(2) 1.0766(2) 0.0419(16) Uani 1 1 d . U . L 12
C29_12 C 0.6946(2) 1.8973(2) 1.1082(2) 0.0436(16) Uani 1 1 d . U . L 12
C30_12 C 0.7174(2) 1.9095(3) 1.1443(2) 0.0504(18) Uani 1 1 d . U . L 12
C31_12 C 0.7166(3) 1.8818(3) 1.1668(2) 0.0558(19) Uani 1 1 d . U . L 12
C32_12 C 0.7479(3) 1.8839(3) 1.1948(2) 0.059(2) Uani 1 1 d . U . L 12
C33_12 C 0.7509(3) 1.8442(3) 1.1966(2) 0.061(2) Uani 1 1 d . U . L 12
C34_12 C 0.7869(3) 1.8348(3) 1.2017(2) 0.0563(19) Uani 1 1 d . U . L 12
C35_12 C 0.7945(3) 1.7990(3) 1.1803(3) 0.0545(18) Uani 1 1 d . U . L 12
C36_12 C 0.8340(2) 1.8060(3) 1.1701(3) 0.0490(17) Uani 1 1 d . U . L 12
C37_12 C 0.8429(2) 1.7886(2) 1.1349(3) 0.0471(17) Uani 1 1 d . U . L 12
C38_12 C 0.8689(2) 1.8105(2) 1.1136(2) 0.0405(16) Uani 1 1 d . U . L 12
C39_12 C 0.8553(2) 1.7975(2) 1.0735(2) 0.0469(17) Uani 1 1 d . U . L 12
C40_12 C 0.8605(2) 1.8234(3) 1.0484(2) 0.0471(17) Uani 1 1 d . U . L 12
C41_12 C 0.8335(2) 1.8132(3) 1.0150(2) 0.0543(19) Uani 1 1 d . U . L 12
C42_12 C 0.8250(2) 1.8428(3) 0.9954(2) 0.0523(18) Uani 1 1 d . U . L 12
C43_12 C 0.8416(2) 1.8822(3) 1.0105(2) 0.0515(18) Uani 1 1 d . U . L 12
C44_12 C 0.8183(3) 1.9116(3) 1.0101(3) 0.0550(18) Uani 1 1 d . U . L 12
C45_12 C 0.7792(3) 1.9004(3) 0.9952(2) 0.0507(18) Uani 1 1 d . U . L 12
C46_12 C 0.7503(2) 1.9182(2) 1.0147(2) 0.0467(17) Uani 1 1 d . U . L 12
C47_12 C 0.7615(3) 1.9459(2) 1.0485(3) 0.0505(18) Uani 1 1 d . U . L 12
C48_12 C 0.7375(3) 1.9449(2) 1.0798(3) 0.0497(18) Uani 1 1 d . U . L 12
C49_12 C 0.7633(2) 1.9571(2) 1.1156(3) 0.0500(18) Uani 1 1 d . U . L 12
C50_12 C 0.7532(3) 1.9405(2) 1.1482(3) 0.0530(19) Uani 1 1 d . U . L 12
C51_12 C 0.7848(3) 1.9409(3) 1.1737(3) 0.0539(19) Uani 1 1 d . U . L 12
C52_12 C 0.7817(3) 1.9131(3) 1.1987(2) 0.0560(19) Uani 1 1 d . U . L 12
C53_12 C 0.8193(3) 1.9038(3) 1.2046(2) 0.0495(18) Uani 1 1 d . U . L 12
C54_12 C 0.8222(2) 1.8658(3) 1.2061(2) 0.0521(18) Uani 1 1 d . U . L 12
C55_12 C 0.8511(2) 1.8480(2) 1.1866(2) 0.0436(17) Uani 1 1 d . U . L 12
C56_12 C 0.8765(2) 1.8692(2) 1.1660(2) 0.0351(15) Uani 1 1 d . U . L 12
C57_12 C 0.88546(19) 1.8503(2) 1.1289(2) 0.0344(15) Uani 1 1 d . U . L 12
C58_12 C 0.88862(19) 1.8780(2) 1.1045(2) 0.0362(15) Uani 1 1 d . U . L 12
C59_12 C 0.8780(2) 1.8652(3) 1.0644(2) 0.0427(16) Uani 1 1 d . U . L 12
C60_12 C 0.8668(2) 1.8941(3) 1.0460(2) 0.0483(17) Uani 1 1 d . U . L 12
C61_12 C 0.8596(2) 1.9299(3) 1.0675(3) 0.0469(17) Uani 1 1 d . U . L 12
C62_12 C 0.8296(2) 1.9409(3) 1.0460(3) 0.0499(18) Uani 1 1 d . U . L 12
C63_12 C 0.8013(3) 1.9573(2) 1.0642(3) 0.0516(18) Uani 1 1 d . U . L 12
C64_12 C 0.8028(3) 1.9642(2) 1.1053(3) 0.0519(18) Uani 1 1 d . U . L 12
C65_12 C 0.8330(2) 1.9559(2) 1.1282(3) 0.0477(18) Uani 1 1 d . U . L 12
C66_12 C 0.8243(2) 1.9486(2) 1.1637(2) 0.0468(18) Uani 1 1 d . U . L 12
C67_12 C 0.8457(2) 1.9258(2) 1.1827(2) 0.0439(17) Uani 1 1 d . U . L 12
C68_12 C 0.8735(2) 1.9089(2) 1.1638(2) 0.0351(15) Uani 1 1 d . U . L 12
C69_12 C 0.8813(2) 1.9142(2) 1.1257(2) 0.0372(15) Uani 1 1 d . U . L 12
C70_12 C 0.8628(2) 1.9380(2) 1.1082(2) 0.0432(17) Uani 1 1 d . U . L 12
Ni3_13 Ni 0.36542(2) 0.57832(2) 0.37166(2) 0.01331(16) Uani 1 1 d . . . M 13
N1_13 N 0.36448(14) 0.58399(13) 0.31795(13) 0.0143(10) Uani 1 1 d . . . M 13
N2_13 N 0.41980(14) 0.57205(13) 0.37051(13) 0.0150(10) Uani 1 1 d . . . M 13
N3_13 N 0.36521(14) 0.56972(13) 0.42413(13) 0.0137(10) Uani 1 1 d . . . M 13
N4_13 N 0.31080(14) 0.58318(13) 0.37225(13) 0.0150(10) Uani 1 1 d . . . M 13
C71_13 C 0.33393(17) 0.58917(16) 0.29585(17) 0.0169(13) Uani 1 1 d . . . M 13
C72_13 C 0.34455(18) 0.59028(16) 0.25751(17) 0.0184(13) Uani 1 1 d . . . M 13
C73_13 C 0.38158(18) 0.58627(17) 0.25647(17) 0.0187(13) Uani 1 1 d . . . M 13
C74_13 C 0.39388(18) 0.58205(16) 0.29423(16) 0.0174(13) Uani 1 1 d . . . M 13
C75_13 C 0.42999(17) 0.57665(16) 0.30450(16) 0.0150(12) Uani 1 1 d . . . M 13
H41_13 H 0.448225 0.576174 0.285816 0.018 Uiso 1 1 calc R U . M 13
C76_13 C 0.44178(17) 0.57181(16) 0.34030(17) 0.0169(13) Uani 1 1 d . . . M 13
C77_13 C 0.47984(17) 0.56436(17) 0.34970(17) 0.0190(13) Uani 1 1 d . . . M 13
C78_13 C 0.48092(18) 0.56097(17) 0.38662(18) 0.0212(13) Uani 1 1 d . . . M 13
C79_13 C 0.44336(17) 0.56574(16) 0.39951(17) 0.0162(12) Uani 1 1 d . . . M 13
C80_13 C 0.43237(18) 0.56214(17) 0.43511(17) 0.0204(13) Uani 1 1 d . . . M 13
H42_13 H 0.451312 0.558927 0.453286 0.024 Uiso 1 1 calc R U . M 13
C81_13 C 0.39528(17) 0.56294(16) 0.44594(16) 0.0159(12) Uani 1 1 d . . . M 13
C82_13 C 0.38294(19) 0.55650(17) 0.48265(17) 0.0205(13) Uani 1 1 d . . . M 13
C83_13 C 0.34490(19) 0.55897(17) 0.48230(17) 0.0222(14) Uani 1 1 d . . . M 13
C84_13 C 0.33456(18) 0.56803(16) 0.44599(17) 0.0173(13) Uani 1 1 d . . . M 13
C85_13 C 0.29822(18) 0.57377(16) 0.43605(17) 0.0190(13) Uani 1 1 d . . . M 13
H43_13 H 0.279563 0.572640 0.454291 0.023 Uiso 1 1 calc R U . M 13
C86_13 C 0.28724(17) 0.58102(15) 0.40139(17) 0.0150(12) Uani 1 1 d . . . M 13
C87_13 C 0.24865(17) 0.58584(17) 0.39118(18) 0.0193(13) Uani 1 1 d . . . M 13
C88_13 C 0.24851(18) 0.59056(17) 0.35449(17) 0.0191(13) Uani 1 1 d . . . M 13
C89_13 C 0.28722(17) 0.58880(16) 0.34343(17) 0.0172(13) Uani 1 1 d . . . M 13
C90_13 C 0.29770(17) 0.59183(15) 0.30722(17) 0.0170(13) Uani 1 1 d . . . M 13
H44_13 H 0.278922 0.595947 0.289442 0.020 Uiso 1 1 calc R U . M 13
C91_13 C 0.31694(18) 0.59335(18) 0.22488(17) 0.0227(14) Uani 1 1 d . . . M 13
H1_13 H 0.332204 0.605632 0.206399 0.027 Uiso 1 1 calc R U . M 13
H2_13 H 0.299240 0.610518 0.235216 0.027 Uiso 1 1 calc R U . M 13
C92_13 C 0.2926(2) 0.5524(2) 0.20400(19) 0.0321(16) Uani 1 1 d . . . M 13
H3_13 H 0.275516 0.555175 0.182793 0.048 Uiso 1 1 d . U . N 13
H4_13 H 0.276641 0.540670 0.222052 0.048 Uiso 1 1 d . U . O 13
H5_13 H 0.310049 0.535294 0.193928 0.048 Uiso 1 1 d . U . P 13
C93_13 C 0.40672(18) 0.58492(17) 0.22353(16) 0.0200(13) Uani 1 1 d . . . M 13
H7_13 H 0.433585 0.599779 0.233332 0.024 Uiso 1 1 calc R U . M 13
H6_13 H 0.396579 0.598184 0.204823 0.024 Uiso 1 1 calc R U . M 13
C96_13 C 0.4999(2) 0.5181(2) 0.2946(2) 0.0366(18) Uani 1 1 d . . . M 13
H13_13 H 0.520525 0.515576 0.277533 0.055 Uiso 1 1 d . U . Q 13
H14_13 H 0.474964 0.514496 0.279275 0.055 Uiso 1 1 d . U . R 13
H15_13 H 0.497751 0.498058 0.309795 0.055 Uiso 1 1 d . U . S 13
C94_13 C 0.4080(2) 0.54276(19) 0.20293(18) 0.0275(15) Uani 1 1 d . . . M 13
H8_13 H 0.422297 0.543573 0.180177 0.041 Uiso 1 1 d . U . T 13
H9_13 H 0.381375 0.527196 0.195064 0.041 Uiso 1 1 d . U . U 13
H10_13 H 0.421265 0.530627 0.220282 0.041 Uiso 1 1 d . U . V 13
C95_13 C 0.50961(19) 0.55931(19) 0.32154(19) 0.0269(15) Uani 1 1 d . . . M 13
H12_13 H 0.535563 0.563571 0.335700 0.032 Uiso 1 1 calc R U . M 13
H11_13 H 0.510928 0.579489 0.306130 0.032 Uiso 1 1 calc R U . M 13
C97_13 C 0.51328(19) 0.55214(19) 0.40984(19) 0.0264(15) Uani 1 1 d . . . M 13
H16_13 H 0.512937 0.564725 0.437216 0.032 Uiso 1 1 calc R U . M 13
H17_13 H 0.538638 0.563609 0.401522 0.032 Uiso 1 1 calc R U . M 13
C98_13 C 0.5094(2) 0.5075(2) 0.4054(2) 0.043(2) Uani 1 1 d . . . M 13
H18_13 H 0.531122 0.502903 0.420755 0.064 Uiso 1 1 d . U . W 13
H19_13 H 0.509903 0.494949 0.378418 0.064 Uiso 1 1 d . U . X 13
H20_13 H 0.484667 0.496195 0.414428 0.064 Uiso 1 1 d . U . Y 13
C99_13 C 0.4073(2) 0.54696(19) 0.51342(18) 0.0280(15) Uani 1 1 d . . . M 13
H21_13 H 0.404252 0.563670 0.538502 0.034 Uiso 1 1 calc R U . M 13
H22_13 H 0.435050 0.553571 0.508655 0.034 Uiso 1 1 calc R U . M 13
C100_13 C 0.3964(3) 0.5039(2) 0.5155(3) 0.058(3) Uani 1 1 d . . . M 13
H23_13 H 0.412613 0.499645 0.536513 0.087 Uiso 1 1 d . U . Z 13
H24_13 H 0.400713 0.487214 0.491205 0.087 Uiso 1 1 d . U . A 13
H25_13 H 0.368846 0.497015 0.519948 0.087 Uiso 1 1 d . U . B 13
C101_13 C 0.31629(19) 0.55211(18) 0.51175(18) 0.0242(14) Uani 1 1 d . . . M 13
H26_13 H 0.302048 0.573704 0.516268 0.029 Uiso 1 1 calc R U . M 13
H27_13 H 0.330938 0.552889 0.536296 0.029 Uiso 1 1 calc R U . M 13
C102_13 C 0.2869(2) 0.51267(18) 0.49912(19) 0.0277(15) Uani 1 1 d . . . M 13
H28_13 H 0.268229 0.510254 0.518291 0.042 Uiso 1 1 d . U . C 13
H29_13 H 0.300753 0.491077 0.496595 0.042 Uiso 1 1 d . U . D 13
H30_13 H 0.273028 0.511290 0.474339 0.042 Uiso 1 1 d . U . E 13
C103_13 C 0.21583(18) 0.58447(18) 0.41662(19) 0.0255(15) Uani 1 1 d . . . M 13
H31_13 H 0.197008 0.598794 0.407961 0.031 Uiso 1 1 calc R U . M 13
H32_13 H 0.226520 0.598410 0.443157 0.031 Uiso 1 1 calc R U . M 13
C104_13 C 0.1941(2) 0.5424(2) 0.4168(2) 0.0346(17) Uani 1 1 d . . . M 13
H33_13 H 0.171727 0.543704 0.432035 0.052 Uiso 1 1 d . U . F 13
H34_13 H 0.211777 0.529117 0.428391 0.052 Uiso 1 1 d . U . G 13
H35_13 H 0.184924 0.527789 0.390587 0.052 Uiso 1 1 d . U . H 13
C105_13 C 0.21536(17) 0.59333(17) 0.32830(18) 0.0195(13) Uani 1 1 d . . . M 13
H36_13 H 0.225125 0.611844 0.312070 0.023 Uiso 1 1 calc R U . M 13
H37_13 H 0.195829 0.604040 0.343779 0.023 Uiso 1 1 calc R U . M 13
C106_13 C 0.19564(19) 0.5528(2) 0.30236(19) 0.0290(15) Uani 1 1 d . . . M 13
H38_13 H 0.174412 0.555823 0.285297 0.044 Uiso 1 1 d . U . I 13
H39_13 H 0.185099 0.534663 0.318314 0.044 Uiso 1 1 d . U . J 13
H40_13 H 0.214911 0.542115 0.286976 0.044 Uiso 1 1 d . U . K 13
Ni11_14 Ni 0.70137(2) 1.57557(2) 1.04257(2) 0.01383(16) Uani 1 1 d . . . L 14
N5_14 N 0.70284(14) 1.58220(13) 0.98966(13) 0.0130(10) Uani 1 1 d . . . L 14
N6_14 N 0.75479(14) 1.56727(14) 1.04271(13) 0.0157(10) Uani 1 1 d . . . L 14
N7_14 N 0.69899(14) 1.56732(13) 1.09506(13) 0.0151(10) Uani 1 1 d . . . L 14
N8_14 N 0.64651(14) 1.58058(13) 1.04158(14) 0.0164(11) Uani 1 1 d . . . L 14
C107_14 C 0.68479(18) 1.58761(17) 0.92773(16) 0.0173(13) Uani 1 1 d . . . L 14
C108_14 C 0.72292(18) 1.58607(16) 0.92886(16) 0.0163(12) Uani 1 1 d . . . L 14
C109_14 C 0.73354(17) 1.58216(16) 0.96735(16) 0.0155(12) Uani 1 1 d . . . L 14
C110_14 C 0.76986(16) 1.57723(16) 0.97876(17) 0.0158(12) Uani 1 1 d . . . L 14
H85_14 H 0.789631 1.579645 0.961742 0.019 Uiso 1 1 calc R U . L 14
C111_14 C 0.77910(17) 1.56889(16) 1.01399(16) 0.0162(12) Uani 1 1 d . . . L 14
C112_14 C 0.81572(16) 1.55906(17) 1.02364(17) 0.0168(12) Uani 1 1 d . . . L 14
C113_14 C 0.81351(17) 1.55167(17) 1.05950(17) 0.0169(12) Uani 1 1 d . . . L 14
C114_14 C 0.77597(17) 1.55703(17) 1.07086(16) 0.0172(13) Uani 1 1 d . . . L 14
C115_14 C 0.76306(17) 1.55246(16) 1.10596(17) 0.0174(13) Uani 1 1 d . . . L 14
H86_14 H 0.780084 1.545458 1.123393 0.021 Uiso 1 1 calc R U . L 14
C116_14 C 0.72712(18) 1.55744(17) 1.11715(17) 0.0194(13) Uani 1 1 d . . . L 14
C117_14 C 0.71301(18) 1.55137(17) 1.15331(16) 0.0187(13) Uani 1 1 d . . . L 14
C118_14 C 0.67666(18) 1.55810(17) 1.15323(17) 0.0188(13) Uani 1 1 d . . . L 14
C119_14 C 0.66832(17) 1.56790(16) 1.11702(16) 0.0142(12) Uani 1 1 d . . . L 14
C120_14 C 0.63286(17) 1.57543(17) 1.10633(17) 0.0184(13) Uani 1 1 d . . . L 14
H87_14 H 0.614283 1.576857 1.124651 0.022 Uiso 1 1 calc R U . L 14
C121_14 C 0.62304(17) 1.58096(16) 1.07073(16) 0.0150(12) Uani 1 1 d . . . L 14
C122_14 C 0.58440(17) 1.58563(16) 1.05865(17) 0.0171(13) Uani 1 1 d . . . L 14
C123_14 C 0.58500(17) 1.58726(17) 1.02113(18) 0.0188(13) Uani 1 1 d . . . L 14
C124_14 C 0.62387(16) 1.58446(16) 1.01120(17) 0.0165(12) Uani 1 1 d . . . L 14
C125_14 C 0.63551(18) 1.58659(17) 0.97521(17) 0.0187(13) Uani 1 1 d . . . L 14
H88_14 H 0.616817 1.589170 0.956423 0.022 Uiso 1 1 calc R U . L 14
C126_14 C 0.67263(17) 1.58518(16) 0.96493(17) 0.0174(13) Uani 1 1 d . . . L 14
C127_14 C 0.65876(18) 1.58960(17) 0.89390(17) 0.0199(13) Uani 1 1 d . . . L 14
H46_14 H 0.674728 1.603629 0.876975 0.024 Uiso 1 1 calc R U . L 14
H45_14 H 0.639300 1.605048 0.903188 0.024 Uiso 1 1 calc R U . L 14
C128_14 C 0.6375(2) 1.5490(2) 0.87078(19) 0.0310(16) Uani 1 1 d . . . L 14
H49_14 H 0.623186 1.551699 0.847714 0.046 Uiso 1 1 d . U . M 14
H48_14 H 0.619131 1.536220 0.886414 0.046 Uiso 1 1 d . U . N 14
H47_14 H 0.656501 1.532743 0.863292 0.046 Uiso 1 1 d . U . O 14
C129_14 C 0.74978(18) 1.58595(18) 0.89724(16) 0.0198(13) Uani 1 1 d . . . L 14
H51_14 H 0.776414 1.600315 0.908453 0.024 Uiso 1 1 calc R U . L 14
H50_14 H 0.740885 1.600252 0.878835 0.024 Uiso 1 1 calc R U . L 14
C130_14 C 0.7513(2) 1.54442(18) 0.87565(19) 0.0285(15) Uani 1 1 d . . . L 14
H54_14 H 0.769098 1.546131 0.855567 0.043 Uiso 1 1 calc R U . L 14
H53_14 H 0.760695 1.530270 0.893576 0.043 Uiso 1 1 calc R U . L 14
H52_14 H 0.725149 1.530207 0.863943 0.043 Uiso 1 1 calc R U . L 14
C131_14 C 0.84720(17) 1.55489(19) 0.99719(18) 0.0237(14) Uani 1 1 d . . . L 14
H56_14 H 0.871693 1.555389 1.012286 0.028 Uiso 1 1 calc R U . L 14
H55_14 H 0.851963 1.577523 0.984743 0.028 Uiso 1 1 calc R U . L 14
C132_14 C 0.8358(2) 1.51607(19) 0.96606(19) 0.0292(16) Uani 1 1 d . . . L 14
H59_14 H 0.857665 1.513384 0.950422 0.044 Uiso 1 1 d . U . P 14
H58_14 H 0.812908 1.516476 0.949649 0.044 Uiso 1 1 d . U . Q 14
H57_14 H 0.829848 1.493680 0.978303 0.044 Uiso 1 1 d . U . R 14
C133_14 C 0.84279(19) 1.53740(19) 1.08156(19) 0.0264(15) Uani 1 1 d . . . L 14
H61_14 H 0.841253 1.546671 1.109399 0.032 Uiso 1 1 calc R U . L 14
H60_14 H 0.869393 1.548576 1.075715 0.032 Uiso 1 1 calc R U . L 14
C134_14 C 0.8352(2) 1.4918(2) 1.0711(2) 0.042(2) Uani 1 1 d . . . L 14
H64_14 H 0.853154 1.483025 1.087329 0.064 Uiso 1 1 d . U . S 14
H63_14 H 0.839255 1.482765 1.044083 0.064 Uiso 1 1 d . U . T 14
H62_14 H 0.808218 1.480716 1.075169 0.064 Uiso 1 1 d . U . U 14
C135_14 C 0.7358(2) 1.54020(19) 1.18456(18) 0.0262(15) Uani 1 1 d . . . L 14
H66_14 H 0.738870 1.561245 1.208246 0.031 Uiso 1 1 calc R U . L 14
H65_14 H 0.762159 1.538851 1.176769 0.031 Uiso 1 1 calc R U . L 14
C136_14 C 0.7167(2) 1.5006(2) 1.1935(2) 0.0372(18) Uani 1 1 d . . . L 14
H69_14 H 0.733933 1.494292 1.212506 0.056 Uiso 1 1 d . U . V 14
H68_14 H 0.712146 1.479727 1.170039 0.056 Uiso 1 1 d . U . W 14
H67_14 H 0.691700 1.502552 1.203974 0.056 Uiso 1 1 d . U . X 14
C137_14 C 0.64757(19) 1.55384(18) 1.18225(17) 0.0226(14) Uani 1 1 d . . . L 14
H71_14 H 0.634538 1.576343 1.185651 0.027 Uiso 1 1 calc R U . L 14
H70_14 H 0.661573 1.554927 1.207217 0.027 Uiso 1 1 calc R U . L 14
C138_14 C 0.6164(2) 1.51509(18) 1.17058(19) 0.0275(15) Uani 1 1 d . . . L 14
H74_14 H 0.598585 1.513524 1.190673 0.041 Uiso 1 1 d . U . Y 14
H73_14 H 0.629057 1.492613 1.167172 0.041 Uiso 1 1 d . U . Z 14
H72_14 H 0.601571 1.514271 1.146429 0.041 Uiso 1 1 d . U . A 14
C139_14 C 0.55120(17) 1.58673(18) 1.08364(19) 0.0231(14) Uani 1 1 d . . . L 14
H76_14 H 0.532861 1.600681 1.073505 0.028 Uiso 1 1 calc R U . L 14
H75_14 H 0.561668 1.601889 1.109888 0.028 Uiso 1 1 calc R U . L 14
C140_14 C 0.5288(2) 1.5452(2) 1.0856(2) 0.0333(17) Uani 1 1 d . . . L 14
H79_14 H 0.507982 1.547602 1.102634 0.050 Uiso 1 1 d . U . B 14
H78_14 H 0.546775 1.531237 1.095701 0.050 Uiso 1 1 d . U . C 14
H77_14 H 0.517351 1.530425 1.059913 0.050 Uiso 1 1 d . U . D 14
C141_14 C 0.55239(18) 1.58890(19) 0.99335(19) 0.0245(14) Uani 1 1 d . . . L 14
H81_14 H 0.562711 1.606319 0.976300 0.029 Uiso 1 1 calc R U . L 14
H80_14 H 0.532538 1.600332 1.007687 0.029 Uiso 1 1 calc R U . L 14
C142_14 C 0.53312(19) 1.5476(2) 0.9689(2) 0.0300(16) Uani 1 1 d . . . L 14
H84_14 H 0.512464 1.549750 0.950595 0.045 Uiso 1 1 d . U . E 14
H83_14 H 0.521752 1.530664 0.985647 0.045 Uiso 1 1 d . U . F 14
H82_14 H 0.552716 1.536047 0.954895 0.045 Uiso 1 1 d . U . G 14
Ni4_15 Ni 0.38919(2) 0.67396(2) 0.36414(2) 0.01362(16) Uani 1 1 d . . . H 15
N9_15 N 0.38856(14) 0.68199(13) 0.31140(13) 0.0142(10) Uani 1 1 d . . . H 15
N10_15 N 0.44395(14) 0.66934(13) 0.36267(13) 0.0156(10) Uani 1 1 d . . . H 15
N11_15 N 0.39036(13) 0.66730(13) 0.41733(13) 0.0134(10) Uani 1 1 d . . . H 15
N12_15 N 0.33566(14) 0.68184(13) 0.36672(13) 0.0157(10) Uani 1 1 d . . . H 15
C143_15 C 0.40784(18) 0.69210(16) 0.25248(16) 0.0186(13) Uani 1 1 d . . . H 15
C144_15 C 0.41830(17) 0.68168(16) 0.28795(15) 0.0147(12) Uani 1 1 d . . . H 15
C145_15 C 0.45469(17) 0.67504(16) 0.29724(17) 0.0170(12) Uani 1 1 d . . . H 15
H129_15 H 0.472413 0.673816 0.278085 0.020 Uiso 1 1 calc R U . H 15
C146_15 C 0.46652(17) 0.67011(16) 0.33272(16) 0.0155(12) Uani 1 1 d . . . H 15
C147_15 C 0.50563(17) 0.66652(16) 0.34290(18) 0.0184(13) Uani 1 1 d . . . H 15
C148_15 C 0.50691(17) 0.66368(17) 0.38021(17) 0.0182(13) Uani 1 1 d . . . H 15
C149_15 C 0.46848(17) 0.66561(16) 0.39224(16) 0.0159(12) Uani 1 1 d . . . H 15
C150_15 C 0.45832(18) 0.66315(17) 0.42845(17) 0.0208(14) Uani 1 1 d . . . H 15
H130_15 H 0.477859 0.660941 0.446602 0.025 Uiso 1 1 calc R U . H 15
C151_15 C 0.42165(18) 0.66370(16) 0.43995(17) 0.0183(13) Uani 1 1 d . . . H 15
C152_15 C 0.41119(18) 0.66094(16) 0.47805(17) 0.0188(13) Uani 1 1 d . . . H 15
C153_15 C 0.37305(18) 0.66311(16) 0.47872(16) 0.0173(13) Uani 1 1 d . . . H 15
C154_15 C 0.36078(17) 0.66757(16) 0.44070(16) 0.0160(12) Uani 1 1 d . . . H 15
C155_15 C 0.32418(17) 0.67292(16) 0.43143(16) 0.0166(12) Uani 1 1 d . . . H 15
H131_15 H 0.305623 0.671404 0.449734 0.020 Uiso 1 1 calc R U . H 15
C156_15 C 0.31308(17) 0.68047(16) 0.39634(16) 0.0149(12) Uani 1 1 d . . . H 15
C157_15 C 0.27589(17) 0.68983(16) 0.38857(17) 0.0171(13) Uani 1 1 d . . . H 15
C158_15 C 0.27580(18) 0.69654(18) 0.35282(18) 0.0219(14) Uani 1 1 d . . . H 15
C159_15 C 0.31272(17) 0.69126(17) 0.33911(17) 0.0193(13) Uani 1 1 d . . . H 15
C160_15 C 0.32382(17) 0.69596(16) 0.30367(17) 0.0175(13) Uani 1 1 d . . . H 15
H132_15 H 0.305838 0.702807 0.287056 0.021 Uiso 1 1 calc R U . H 15
C161_15 C 0.35938(18) 0.69137(16) 0.29070(16) 0.0169(13) Uani 1 1 d . . . H 15
C162_15 C 0.37111(17) 0.69757(16) 0.25409(16) 0.0159(12) Uani 1 1 d . . . H 15
C163_15 C 0.34685(18) 0.70981(19) 0.22471(18) 0.0240(14) Uani 1 1 d . . . H 15
H89_15 H 0.319801 0.707300 0.231935 0.029 Uiso 1 1 calc R U . H 15
H90_15 H 0.346022 0.691642 0.199425 0.029 Uiso 1 1 calc R U . H 15
C164_15 C 0.3628(2) 0.7523(2) 0.2212(2) 0.0378(18) Uani 1 1 d . . . H 15
H93_15 H 0.347144 0.758138 0.200597 0.057 Uiso 1 1 d . U . I 15
H92_15 H 0.390005 0.755378 0.215125 0.057 Uiso 1 1 d . U . J 15
H91_15 H 0.361518 0.770717 0.245432 0.057 Uiso 1 1 d . U . K 15
C165_15 C 0.43589(18) 0.69777(17) 0.22275(17) 0.0216(14) Uani 1 1 d . . . H 15
H95_15 H 0.421130 0.697770 0.198524 0.026 Uiso 1 1 calc R U . H 15
H94_15 H 0.448952 0.675296 0.217717 0.026 Uiso 1 1 calc R U . H 15
C166_15 C 0.4670(2) 0.73637(18) 0.23514(18) 0.0247(14) Uani 1 1 d . . . H 15
H96_15 H 0.484233 0.738805 0.214687 0.037 Uiso 1 1 d . U . L 15
H97_15 H 0.482308 0.736177 0.258588 0.037 Uiso 1 1 d . U . M 15
H98_15 H 0.454227 0.758754 0.239876 0.037 Uiso 1 1 d . U . N 15
C167_15 C 0.53771(18) 0.66642(18) 0.31665(19) 0.0226(14) Uani 1 1 d . . . H 15
H100_15 H 0.526370 0.652149 0.290391 0.027 Uiso 1 1 calc R U . H 15
H99_15 H 0.556443 0.651976 0.325261 0.027 Uiso 1 1 calc R U . H 15
C168_15 C 0.5597(2) 0.7081(2) 0.3156(2) 0.0332(17) Uani 1 1 d . . . H 15
H101_15 H 0.579195 0.706427 0.297080 0.050 Uiso 1 1 d . U . O 15
H102_15 H 0.572708 0.721738 0.341116 0.050 Uiso 1 1 d . U . P 15
H103_15 H 0.541172 0.722927 0.307921 0.050 Uiso 1 1 d . U . Q 15
C169_15 C 0.54088(18) 0.66160(19) 0.40632(18) 0.0255(14) Uani 1 1 d . . . H 15
H105_15 H 0.560141 0.650519 0.390728 0.031 Uiso 1 1 calc R U . H 15
H104_15 H 0.531615 0.643737 0.423310 0.031 Uiso 1 1 calc R U . H 15
C170_15 C 0.56067(19) 0.7026(2) 0.4309(2) 0.0307(16) Uani 1 1 d . . . H 15
H108_15 H 0.582584 0.700237 0.447574 0.046 Uiso 1 1 d . U . R 15
H107_15 H 0.541741 0.713358 0.446674 0.046 Uiso 1 1 d . U . S 15
H106_15 H 0.570263 0.720115 0.414133 0.046 Uiso 1 1 d . U . T 15
C171_15 C 0.43918(19) 0.65887(18) 0.51064(17) 0.0235(14) Uani 1 1 d . . . H 15
H109_15 H 0.458075 0.643255 0.500104 0.028 Uiso 1 1 calc R U . H 15
H110_15 H 0.424355 0.644998 0.528370 0.028 Uiso 1 1 calc R U . H 15
C172_15 C 0.4616(2) 0.6997(2) 0.5331(2) 0.0335(17) Uani 1 1 d . . . H 15
H111_15 H 0.479739 0.696632 0.553337 0.050 Uiso 1 1 d . U . U 15
H112_15 H 0.443099 0.714802 0.544792 0.050 Uiso 1 1 d . U . V 15
H113_15 H 0.476190 0.713673 0.515753 0.050 Uiso 1 1 d . U . W 15
C173_15 C 0.34791(19) 0.66275(17) 0.51129(17) 0.0224(14) Uani 1 1 d . . . H 15
H114_15 H 0.357892 0.648310 0.528984 0.027 Uiso 1 1 calc R U . H 15
H115_15 H 0.321049 0.648248 0.501008 0.027 Uiso 1 1 calc R U . H 15
C174_15 C 0.3466(2) 0.70435(19) 0.53402(18) 0.0275(15) Uani 1 1 d . . . H 15
H118_15 H 0.331641 0.702229 0.556084 0.041 Uiso 1 1 d . U . X 15
H117_15 H 0.334065 0.717793 0.517357 0.041 Uiso 1 1 d . U . Y 15
H116_15 H 0.373214 0.719462 0.542924 0.041 Uiso 1 1 d . U . Z 15
C175_15 C 0.24577(17) 0.69425(17) 0.41631(18) 0.0211(13) Uani 1 1 d . . . H 15
H120_15 H 0.241645 0.671658 0.428831 0.025 Uiso 1 1 calc R U . H 15
H119_15 H 0.220736 0.693820 0.402195 0.025 Uiso 1 1 calc R U . H 15
C176_15 C 0.25821(19) 0.73324(19) 0.44742(18) 0.0253(14) Uani 1 1 d . . . H 15
H121_15 H 0.236463 0.737002 0.462795 0.038 Uiso 1 1 d . U . A 15
H122_15 H 0.265410 0.755413 0.435022 0.038 Uiso 1 1 d . U . B 15
H123_15 H 0.280649 0.731997 0.464039 0.038 Uiso 1 1 d . U . C 15
C177_15 C 0.24435(19) 0.7097(2) 0.33171(19) 0.0274(15) Uani 1 1 d . . . H 15
H125_15 H 0.218666 0.692774 0.333432 0.033 Uiso 1 1 calc R U . H 15
H124_15 H 0.248922 0.705980 0.304266 0.033 Uiso 1 1 calc R U . H 15
C178_15 C 0.2434(3) 0.7527(3) 0.3478(2) 0.047(2) Uani 1 1 d . . . H 15
H126_15 H 0.222060 0.759581 0.333897 0.071 Uiso 1 1 d . U . D 15
H127_15 H 0.268255 0.769739 0.344726 0.071 Uiso 1 1 d . U . E 15
H128_15 H 0.239359 0.756737 0.375073 0.071 Uiso 1 1 d . U . F 15
Ni9_16 Ni 0.46176(2) 0.82853(2) 0.77793(2) 0.01384(16) Uani 1 1 d . . . G 16
N13_16 N 0.46051(14) 0.83346(13) 0.72435(14) 0.0157(10) Uani 1 1 d . . . G 16
N14_16 N 0.51562(14) 0.82132(13) 0.77660(14) 0.0158(10) Uani 1 1 d . . . G 16
N15_16 N 0.46238(14) 0.82157(13) 0.83081(13) 0.0158(10) Uani 1 1 d . . . G 16
N16_16 N 0.40739(14) 0.83404(13) 0.77885(14) 0.0153(10) Uani 1 1 d . . . G 16
C179_16 C 0.48925(18) 0.83094(16) 0.70024(17) 0.0183(13) Uani 1 1 d . . . G 16
C180_16 C 0.52590(17) 0.82439(17) 0.70994(17) 0.0176(13) Uani 1 1 d . . . G 16
H173_16 H 0.543824 0.823256 0.690970 0.021 Uiso 1 1 calc R U . G 16
C181_16 C 0.53743(16) 0.81948(15) 0.74560(17) 0.0144(12) Uani 1 1 d . . . G 16
C182_16 C 0.57487(17) 0.81140(17) 0.75458(18) 0.0187(13) Uani 1 1 d . . . G 16
C183_16 C 0.57672(18) 0.80973(17) 0.79234(18) 0.0208(13) Uani 1 1 d . . . G 16
C184_16 C 0.53925(16) 0.81546(16) 0.80518(17) 0.0155(12) Uani 1 1 d . . . G 16
C185_16 C 0.52941(17) 0.81360(16) 0.84156(17) 0.0179(13) Uani 1 1 d . . . G 16
H174_16 H 0.548632 0.810558 0.859554 0.021 Uiso 1 1 calc R U . G 16
C186_16 C 0.49267(17) 0.81595(16) 0.85321(16) 0.0160(12) Uani 1 1 d . . . G 16
C187_16 C 0.48095(18) 0.81048(17) 0.89042(17) 0.0205(13) Uani 1 1 d . . . G 16
C188_16 C 0.44308(18) 0.81289(17) 0.89033(16) 0.0181(13) Uani 1 1 d . . . G 16
C189_16 C 0.43185(17) 0.82021(16) 0.85354(16) 0.0161(12) Uani 1 1 d . . . G 16
C190_16 C 0.39560(16) 0.82520(16) 0.84334(16) 0.0152(12) Uani 1 1 d . . . G 16
H175_16 H 0.376958 0.824127 0.861598 0.018 Uiso 1 1 calc R U . G 16
C191_16 C 0.38432(17) 0.83167(16) 0.80841(16) 0.0161(12) Uani 1 1 d . . . G 16
C192_16 C 0.34530(17) 0.83608(16) 0.79820(17) 0.0174(13) Uani 1 1 d . . . G 16
C193_16 C 0.34449(17) 0.84091(17) 0.76138(17) 0.0183(13) Uani 1 1 d . . . G 16
C194_16 C 0.38344(17) 0.83943(16) 0.74984(16) 0.0162(12) Uani 1 1 d . . . G 16
C195_16 C 0.39377(17) 0.84220(16) 0.71370(17) 0.0169(13) Uani 1 1 d . . . G 16
H176_16 H 0.375063 0.846372 0.695887 0.020 Uiso 1 1 calc R U . G 16
C196_16 C 0.43030(17) 0.83914(16) 0.70235(17) 0.0173(13) Uani 1 1 d . . . G 16
C197_16 C 0.44017(18) 0.84008(16) 0.66359(16) 0.0173(13) Uani 1 1 d . . . G 16
C198_16 C 0.47756(18) 0.83551(17) 0.66251(17) 0.0198(13) Uani 1 1 d . . . G 16
C199_16 C 0.5022(2) 0.83385(18) 0.62945(17) 0.0244(14) Uani 1 1 d . . . G 16
H134_16 H 0.529196 0.848481 0.639072 0.029 Uiso 1 1 calc R U . G 16
H133_16 H 0.492086 0.847346 0.610950 0.029 Uiso 1 1 calc R U . G 16
C200_16 C 0.5032(2) 0.7914(2) 0.6082(2) 0.0341(17) Uani 1 1 d . . . G 16
H137_16 H 0.518518 0.792450 0.586225 0.051 Uiso 1 1 d . U . H 16
H136_16 H 0.476554 0.776454 0.599314 0.051 Uiso 1 1 d . U . I 16
H135_16 H 0.515237 0.778560 0.625794 0.051 Uiso 1 1 d . U . J 16
C201_16 C 0.60397(18) 0.80475(18) 0.72609(19) 0.0250(14) Uani 1 1 d . . . G 16
H139_16 H 0.629695 0.807301 0.740021 0.030 Uiso 1 1 calc R U . G 16
H138_16 H 0.606646 0.825405 0.711141 0.030 Uiso 1 1 calc R U . G 16
C202_16 C 0.5923(2) 0.76409(19) 0.6984(2) 0.0307(16) Uani 1 1 d . . . G 16
H142_16 H 0.612277 0.760921 0.680699 0.046 Uiso 1 1 d . U . K 16
H141_16 H 0.567229 0.761770 0.683789 0.046 Uiso 1 1 d . U . L 16
H140_16 H 0.589568 0.743452 0.713021 0.046 Uiso 1 1 d . U . M 16
C203_16 C 0.60907(19) 0.8012(2) 0.8152(2) 0.0297(16) Uani 1 1 d . . . G 16
H144_16 H 0.607492 0.812037 0.842738 0.036 Uiso 1 1 calc R U . G 16
H143_16 H 0.634285 0.814790 0.808212 0.036 Uiso 1 1 calc R U . G 16
C204_16 C 0.6082(3) 0.7571(2) 0.8089(2) 0.051(2) Uani 1 1 d . . . G 16
H147_16 H 0.630099 0.753360 0.824516 0.077 Uiso 1 1 d . U . N 16
H146_16 H 0.610412 0.746377 0.781698 0.077 Uiso 1 1 d . U . O 16
H145_16 H 0.583601 0.743545 0.816228 0.077 Uiso 1 1 d . U . P 16
C205_16 C 0.5057(2) 0.8019(2) 0.92133(18) 0.0277(15) Uani 1 1 d . . . G 16
H149_16 H 0.498998 0.814906 0.946664 0.033 Uiso 1 1 calc R U . G 16
H148_16 H 0.533463 0.813070 0.919233 0.033 Uiso 1 1 calc R U . G 16
C206_16 C 0.4998(3) 0.7572(2) 0.9187(2) 0.050(2) Uani 1 1 d . . . G 16
H152_16 H 0.516549 0.752865 0.939301 0.075 Uiso 1 1 d . U . Q 16
H151_16 H 0.506922 0.744467 0.893808 0.075 Uiso 1 1 d . U . R 16
H150_16 H 0.472517 0.746244 0.921280 0.075 Uiso 1 1 d . U . S 16
C207_16 C 0.41553(19) 0.80616(19) 0.92017(17) 0.0243(14) Uani 1 1 d . . . G 16
H154_16 H 0.399421 0.826213 0.923249 0.029 Uiso 1 1 calc R U . G 16
H153_16 H 0.430768 0.809532 0.945072 0.029 Uiso 1 1 calc R U . G 16
C208_16 C 0.3886(2) 0.7648(2) 0.9095(2) 0.0315(16) Uani 1 1 d . . . G 16
H157_16 H 0.372347 0.760867 0.930367 0.047 Uiso 1 1 d . U . T 16
H156_16 H 0.404364 0.744774 0.905094 0.047 Uiso 1 1 d . U . U 16
H155_16 H 0.371745 0.762128 0.885991 0.047 Uiso 1 1 d . U . V 16
C209_16 C 0.31285(18) 0.83471(18) 0.82406(17) 0.0212(13) Uani 1 1 d . . . G 16
H159_16 H 0.293951 0.849164 0.815793 0.025 Uiso 1 1 calc R U . G 16
H158_16 H 0.323846 0.848457 0.850561 0.025 Uiso 1 1 calc R U . G 16
C210_16 C 0.29128(19) 0.79285(19) 0.82410(19) 0.0265(15) Uani 1 1 d . . . G 16
H162_16 H 0.270334 0.793910 0.841078 0.040 Uiso 1 1 d . U . W 16
H161_16 H 0.309537 0.778583 0.833176 0.040 Uiso 1 1 d . U . X 16
H160_16 H 0.280022 0.779079 0.797969 0.040 Uiso 1 1 d . U . Y 16
C211_16 C 0.31098(17) 0.84392(18) 0.73582(17) 0.0208(13) Uani 1 1 d . . . G 16
H164_16 H 0.320658 0.861698 0.718879 0.025 Uiso 1 1 calc R U . G 16
H163_16 H 0.292291 0.855682 0.751715 0.025 Uiso 1 1 calc R U . G 16
C212_16 C 0.2899(2) 0.8037(2) 0.7112(2) 0.0318(16) Uani 1 1 d . . . G 16
H167_16 H 0.267608 0.806825 0.695550 0.048 Uiso 1 1 d . U . Z 16
H166_16 H 0.280578 0.785869 0.727859 0.048 Uiso 1 1 d . U . A 16
H165_16 H 0.307901 0.792558 0.694393 0.048 Uiso 1 1 d . U . B 16
C213_16 C 0.41204(19) 0.84247(18) 0.63161(18) 0.0247(14) Uani 1 1 d . . . G 16
H169_16 H 0.426806 0.853732 0.612261 0.030 Uiso 1 1 calc R U . G 16
H168_16 H 0.394968 0.860318 0.642004 0.030 Uiso 1 1 calc R U . G 16
C214_16 C 0.3868(2) 0.8017(2) 0.61229(19) 0.0315(16) Uani 1 1 d . . . G 16
H172_16 H 0.368622 0.804248 0.591861 0.047 Uiso 1 1 d . U . C 16
H171_16 H 0.371963 0.790528 0.631380 0.047 Uiso 1 1 d . U . D 16
H170_16 H 0.403551 0.784145 0.601367 0.047 Uiso 1 1 d . U . E 16
Ni2_24 Ni 0.12512(2) -0.07695(2) 0.13807(2) 0.01438(16) Uani 1 1 d . . . F 24
N17_24 N 0.12704(14) -0.07050(14) 0.08507(13) 0.0153(10) Uani 1 1 d . . . F 24
N18_24 N 0.17987(14) -0.08291(13) 0.13960(13) 0.0149(10) Uani 1 1 d . . . F 24
N19_24 N 0.12394(14) -0.08143(13) 0.19193(13) 0.0163(10) Uani 1 1 d . . . F 24
N20_24 N 0.07150(14) -0.06884(13) 0.13729(13) 0.0150(10) Uani 1 1 d . . . F 24
C215_24 C 0.06130(17) -0.06089(17) 0.07144(17) 0.0196(13) Uani 1 1 d . . . F 24
H217_24 H 0.043158 -0.057767 0.052437 0.024 Uiso 1 1 calc R U . F 24
C216_24 C 0.09820(17) -0.06371(16) 0.06133(16) 0.0159(12) Uani 1 1 d . . . F 24
C217_24 C 0.11163(18) -0.05866(18) 0.02525(17) 0.0222(14) Uani 1 1 d . . . F 24
C218_24 C 0.14937(18) -0.06172(17) 0.02658(17) 0.0203(13) Uani 1 1 d . . . F 24
C219_24 C 0.15824(17) -0.06964(16) 0.06369(16) 0.0161(12) Uani 1 1 d . . . F 24
C220_24 C 0.19440(17) -0.07508(16) 0.07549(17) 0.0177(13) Uani 1 1 d . . . F 24
H218_24 H 0.213823 -0.074102 0.058009 0.021 Uiso 1 1 calc R U . F 24
C221_24 C 0.20420(17) -0.08183(16) 0.11091(16) 0.0148(12) Uani 1 1 d . . . F 24
C222_24 C 0.24226(17) -0.08608(16) 0.12280(17) 0.0179(13) Uani 1 1 d . . . F 24
C223_24 C 0.24122(17) -0.09041(17) 0.15954(17) 0.0193(13) Uani 1 1 d . . . F 24
C224_24 C 0.20230(17) -0.08822(16) 0.16947(17) 0.0182(13) Uani 1 1 d . . . F 24
C225_24 C 0.19009(18) -0.09029(16) 0.20513(17) 0.0177(13) Uani 1 1 d . . . F 24
H219_24 H 0.207882 -0.094537 0.223767 0.021 Uiso 1 1 calc R U . F 24
C226_24 C 0.15355(17) -0.08653(16) 0.21518(16) 0.0169(13) Uani 1 1 d . . . F 24
C227_24 C 0.14163(17) -0.08791(17) 0.25339(17) 0.0186(13) Uani 1 1 d . . . F 24
C228_24 C 0.10402(18) -0.08342(17) 0.25257(17) 0.0205(13) Uani 1 1 d . . . F 24
C229_24 C 0.09402(18) -0.07907(16) 0.21449(17) 0.0174(13) Uani 1 1 d . . . F 24
C230_24 C 0.05795(17) -0.07246(17) 0.20283(17) 0.0184(13) Uani 1 1 d . . . F 24
H220_24 H 0.038942 -0.071600 0.220738 0.022 Uiso 1 1 calc R U . F 24
C231_24 C 0.04839(17) -0.06717(16) 0.16718(17) 0.0171(13) Uani 1 1 d . . . F 24
C232_24 C 0.01109(17) -0.05937(17) 0.15613(18) 0.0209(13) Uani 1 1 d . . . F 24
C233_24 C 0.01158(17) -0.05679(18) 0.11884(18) 0.0219(14) Uani 1 1 d . . . F 24
C234_24 C 0.04881(17) -0.06229(17) 0.10753(17) 0.0191(13) Uani 1 1 d . . . F 24
C235_24 C 0.0889(2) -0.0491(2) -0.00661(19) 0.0299(16) Uani 1 1 d . . . F 24
H178_24 H 0.060850 -0.060907 -0.006434 0.036 Uiso 1 1 calc R U . F 24
H177_24 H 0.097252 -0.061267 -0.031430 0.036 Uiso 1 1 calc R U . F 24
C236_24 C 0.0940(3) -0.0050(2) -0.0035(2) 0.048(2) Uani 1 1 d . . . F 24
H181_24 H 0.077645 -0.000500 -0.024420 0.072 Uiso 1 1 d . U . G 24
H180_24 H 0.121350 0.006735 -0.005288 0.072 Uiso 1 1 d . U . H 24
H179_24 H 0.086047 0.007386 0.021170 0.072 Uiso 1 1 d . U . I 24
C237_24 C 0.17871(19) -0.05560(18) -0.00174(17) 0.0229(14) Uani 1 1 d . . . F
24
H183_24 H 0.164853 -0.058421 -0.027225 0.028 Uiso 1 1 calc R U . F 24
H182_24 H 0.194093 -0.076237 -0.003986 0.028 Uiso 1 1 calc R U . F 24
C238_24 C 0.2066(2) -0.01460(19) 0.01017(19) 0.0279(15) Uani 1 1 d . . . F 24
H186_24 H 0.225527 -0.011856 -0.008813 0.042 Uiso 1 1 d . U . J 24
H185_24 H 0.220558 -0.011691 0.035350 0.042 Uiso 1 1 d . U . K 24
H184_24 H 0.191621 0.005988 0.011628 0.042 Uiso 1 1 d . U . L 24
C239_24 C 0.27585(18) -0.08495(18) 0.09839(18) 0.0214(13) Uani 1 1 d . . . F 24
H188_24 H 0.265977 -0.099806 0.071911 0.026 Uiso 1 1 calc R U . F 24
H187_24 H 0.294712 -0.098484 0.108334 0.026 Uiso 1 1 calc R U . F 24
C240_24 C 0.29718(19) -0.04327(19) 0.09719(19) 0.0270(15) Uani 1 1 d . . . F 24
H191_24 H 0.320022 -0.044649 0.082848 0.040 Uiso 1 1 d . U . M 24
H190_24 H 0.305591 -0.027819 0.123453 0.040 Uiso 1 1 d . U . N 24
H189_24 H 0.279574 -0.030695 0.084642 0.040 Uiso 1 1 d . U . O 24
C241_24 C 0.27382(17) -0.09306(17) 0.18662(18) 0.0217(14) Uani 1 1 d . . . F 24
H193_24 H 0.292251 -0.106473 0.171899 0.026 Uiso 1 1 calc R U . F 24
H192_24 H 0.263088 -0.109180 0.204615 0.026 Uiso 1 1 calc R U . F 24
C242_24 C 0.2959(2) -0.0522(2) 0.2095(2) 0.0345(17) Uani 1 1 d . . . F 24
H196_24 H 0.317846 -0.055005 0.225748 0.052 Uiso 1 1 d . U . P 24
H195_24 H 0.278127 -0.039707 0.225750 0.052 Uiso 1 1 d . U . Q 24
H194_24 H 0.305544 -0.035727 0.191836 0.052 Uiso 1 1 d . U . R 24
C243_24 C 0.16813(19) -0.09047(18) 0.28631(17) 0.0229(14) Uani 1 1 d . . . F 24
H198_24 H 0.183231 -0.110697 0.277225 0.027 Uiso 1 1 calc R U . F 24
H197_24 H 0.152115 -0.099122 0.306167 0.027 Uiso 1 1 calc R U . F 24
C244_24 C 0.1966(2) -0.05109(19) 0.30444(18) 0.0296(16) Uani 1 1 d . . . F 24
H201_24 H 0.214057 -0.054823 0.324860 0.044 Uiso 1 1 d . U . S 24
H200_24 H 0.181858 -0.031453 0.315316 0.044 Uiso 1 1 d . U . T 24
H199_24 H 0.212018 -0.041896 0.284828 0.044 Uiso 1 1 d . U . U 24
C245_24 C 0.0779(2) -0.08240(19) 0.28441(17) 0.0247(14) Uani 1 1 d . . . F 24
H203_24 H 0.086212 -0.097517 0.302321 0.030 Uiso 1 1 calc R U . F 24
H202_24 H 0.050894 -0.095696 0.273453 0.030 Uiso 1 1 calc R U . F 24
C246_24 C 0.0779(2) -0.0408(2) 0.3069(2) 0.0381(18) Uani 1 1 d . . . F 24
H206_24 H 0.060568 -0.042194 0.327362 0.057 Uiso 1 1 d . U . V 24
H205_24 H 0.068873 -0.025797 0.289623 0.057 Uiso 1 1 d . U . W 24
H204_24 H 0.104508 -0.027462 0.318270 0.057 Uiso 1 1 d . U . X 24
C247_24 C -0.01977(19) -0.05335(18) 0.18270(19) 0.0258(15) Uani 1 1 d . . . F
24
H208_24 H -0.023516 -0.074404 0.197199 0.031 Uiso 1 1 calc R U . F 24
H207_24 H -0.044692 -0.055978 0.167286 0.031 Uiso 1 1 calc R U . F 24
C248_24 C -0.0101(2) -0.01294(19) 0.2114(2) 0.0364(18) Uani 1 1 d . . . F 24
H211_24 H -0.031044 -0.011106 0.228222 0.055 Uiso 1 1 d . U . Y 24
H210_24 H -0.007571 0.008108 0.197277 0.055 Uiso 1 1 d . U . Z 24
H209_24 H 0.014544 -0.010049 0.226817 0.055 Uiso 1 1 d . U . A 24
C249_24 C -0.01952(19) -0.0475(2) 0.0939(2) 0.0295(16) Uani 1 1 d . . . F 24
H213_24 H -0.015545 -0.056830 0.066641 0.035 Uiso 1 1 calc R U . F 24
H212_24 H -0.045400 -0.062086 0.098351 0.035 Uiso 1 1 calc R U . F 24
C250_24 C -0.0194(3) -0.0040(3) 0.1015(3) 0.076(4) Uani 1 1 d . . . F 24
H216_24 H -0.037592 0.000757 0.082373 0.115 Uiso 1 1 d . U . B 24
H215_24 H 0.006994 0.011050 0.099925 0.115 Uiso 1 1 d . U . C 24
H214_24 H -0.027292 0.004707 0.127210 0.115 Uiso 1 1 d . U . D 24
Ni12_17 Ni 0.72690(2) 1.67108(2) 1.03616(2) 0.01321(16) Uani 1 1 d . . . E 17
N21_17 N 0.72853(13) 1.67894(13) 0.98349(13) 0.0143(10) Uani 1 1 d . . . E 17
N22_17 N 0.78173(14) 1.66643(13) 1.03702(13) 0.0151(10) Uani 1 1 d . . . E 17
N23_17 N 0.72590(13) 1.66480(13) 1.08921(13) 0.0135(10) Uani 1 1 d . . . E 17
N24_17 N 0.67289(14) 1.67828(13) 1.03609(13) 0.0142(10) Uani 1 1 d . . . E 17
C251_17 C 0.69880(17) 1.68497(16) 0.96044(16) 0.0158(12) Uani 1 1 d . . . E 17
C252_17 C 0.71209(18) 1.69088(18) 0.92420(17) 0.0204(13) Uani 1 1 d . . . E 17
C253_17 C 0.75008(18) 1.68897(17) 0.92546(16) 0.0191(13) Uani 1 1 d . . . E 17
C254_17 C 0.75984(17) 1.68116(16) 0.96243(16) 0.0150(12) Uani 1 1 d . . . E 17
C255_17 C 0.79629(17) 1.67634(16) 0.97364(17) 0.0173(13) Uani 1 1 d . . . E 17
H261_17 H 0.815712 1.678132 0.956203 0.021 Uiso 1 1 calc R U . E 17
C256_17 C 0.80606(17) 1.66911(16) 1.00860(17) 0.0155(12) Uani 1 1 d . . . E 17
C257_17 C 0.84473(18) 1.66456(17) 1.02051(17) 0.0192(13) Uani 1 1 d . . . E 17
C258_17 C 0.84337(18) 1.65914(17) 1.05696(18) 0.0201(13) Uani 1 1 d . . . E 17
C259_17 C 0.80413(16) 1.66017(16) 1.06672(16) 0.0159(12) Uani 1 1 d . . . E 17
C260_17 C 0.79228(17) 1.65614(16) 1.10214(16) 0.0169(12) Uani 1 1 d . . . E 17
H262_17 H 0.810337 1.651489 1.120277 0.020 Uiso 1 1 calc R U . E 17
C261_17 C 0.75537(17) 1.65857(16) 1.11232(17) 0.0178(13) Uani 1 1 d . . . E 17
C262_17 C 0.74399(18) 1.65709(17) 1.15062(17) 0.0190(13) Uani 1 1 d . . . E 17
C263_17 C 0.70671(17) 1.66252(17) 1.15049(17) 0.0172(13) Uani 1 1 d . . . E 17
C264_17 C 0.69605(17) 1.66719(16) 1.11228(16) 0.0146(12) Uani 1 1 d . . . E 17
C265_17 C 0.66055(18) 1.67424(16) 1.10197(17) 0.0173(13) Uani 1 1 d . . . E 17
H263_17 H 0.642182 1.675484 1.120503 0.021 Uiso 1 1 calc R U . E 17
C266_17 C 0.64992(17) 1.67966(16) 1.06594(16) 0.0160(12) Uani 1 1 d . . . E 17
C267_17 C 0.61295(16) 1.68776(17) 1.05585(17) 0.0177(13) Uani 1 1 d . . . E 17
C268_17 C 0.61240(17) 1.68986(17) 1.01852(17) 0.0187(13) Uani 1 1 d . . . E 17
C269_17 C 0.65003(17) 1.68457(16) 1.00663(17) 0.0171(12) Uani 1 1 d . . . E 17
C270_17 C 0.66195(17) 1.68686(17) 0.97068(17) 0.0180(13) Uani 1 1 d . . . E 17
H264_17 H 0.643481 1.689924 0.951954 0.022 Uiso 1 1 calc R U . E 17
C271_17 C 0.6883(2) 1.6986(2) 0.89190(18) 0.0292(16) Uani 1 1 d . . . E 17
H222_17 H 0.660302 1.688221 0.893873 0.035 Uiso 1 1 calc R U . E 17
H221_17 H 0.695092 1.684206 0.867215 0.035 Uiso 1 1 calc R U . E 17
C272_17 C 0.6949(3) 1.7423(2) 0.8920(2) 0.049(2) Uani 1 1 d . . . E 17
H225_17 H 0.679074 1.745708 0.870199 0.073 Uiso 1 1 d . U . F 17
H224_17 H 0.722477 1.752733 0.890008 0.073 Uiso 1 1 d . U . G 17
H223_17 H 0.687113 1.756526 0.915963 0.073 Uiso 1 1 d . U . H 17
C273_17 C 0.77926(19) 1.69648(18) 0.89718(17) 0.0223(14) Uani 1 1 d . . . E 17
H227_17 H 0.765005 1.693736 0.871904 0.027 Uiso 1 1 calc R U . E 17
H226_17 H 0.794865 1.676003 0.894333 0.027 Uiso 1 1 calc R U . E 17
C274_17 C 0.8069(2) 1.73689(19) 0.90829(19) 0.0288(15) Uani 1 1 d . . . E 17
H230_17 H 0.824677 1.739789 0.888389 0.043 Uiso 1 1 d . U . I 17
H229_17 H 0.822018 1.739573 0.932779 0.043 Uiso 1 1 d . U . J 17
H228_17 H 0.791772 1.757463 0.910907 0.043 Uiso 1 1 d . U . K 17
C275_17 C 0.87830(18) 1.66659(19) 0.99609(19) 0.0251(14) Uani 1 1 d . . . E 17
H232_17 H 0.868553 1.652106 0.969473 0.030 Uiso 1 1 calc R U . E 17
H231_17 H 0.897480 1.653187 1.005689 0.030 Uiso 1 1 calc R U . E 17
C276_17 C 0.8990(2) 1.7090(2) 0.9957(2) 0.0367(18) Uani 1 1 d . . . E 17
H235_17 H 0.920991 1.708287 0.979968 0.055 Uiso 1 1 d . U . L 17
H234_17 H 0.908658 1.723608 1.021940 0.055 Uiso 1 1 d . U . M 17
H233_17 H 0.880591 1.721987 0.984866 0.055 Uiso 1 1 d . U . N 17
C277_17 C 0.87586(17) 1.65646(18) 1.08431(18) 0.0225(14) Uani 1 1 d . . . E 17
H237_17 H 0.895900 1.645860 1.069548 0.027 Uiso 1 1 calc R U . E 17
H236_17 H 0.865469 1.637856 1.100251 0.027 Uiso 1 1 calc R U . E 17
C278_17 C 0.89459(19) 1.6962(2) 1.1102(2) 0.0311(16) Uani 1 1 d . . . E 17
H240_17 H 0.915745 1.693231 1.127426 0.047 Uiso 1 1 d . U . O 17
H239_17 H 0.875037 1.706492 1.125387 0.047 Uiso 1 1 d . U . P 17
H238_17 H 0.905231 1.714618 1.094533 0.047 Uiso 1 1 d . U . Q 17
C279_17 C 0.77009(18) 1.65338(17) 1.18330(17) 0.0208(13) Uani 1 1 d . . . E 17
H242_17 H 0.788637 1.637146 1.173137 0.025 Uiso 1 1 calc R U . E 17
H241_17 H 0.754120 1.639639 1.200414 0.025 Uiso 1 1 calc R U . E 17
C280_17 C 0.7931(2) 1.6938(2) 1.2066(2) 0.0336(17) Uani 1 1 d . . . E 17
H245_17 H 0.809968 1.689994 1.227454 0.050 Uiso 1 1 d . U . R 17
H244_17 H 0.774825 1.709609 1.217462 0.050 Uiso 1 1 d . U . S 17
H243_17 H 0.809089 1.707420 1.189863 0.050 Uiso 1 1 d . U . T 17
C281_17 C 0.68081(19) 1.66433(18) 1.18258(17) 0.0217(14) Uani 1 1 d . . . E 17
H247_17 H 0.689807 1.650474 1.201351 0.026 Uiso 1 1 calc R U . E 17
H246_17 H 0.653901 1.650197 1.172096 0.026 Uiso 1 1 calc R U . E 17
C282_17 C 0.6802(2) 1.70661(19) 1.20341(18) 0.0267(15) Uani 1 1 d . . . E 17
H250_17 H 0.664185 1.705894 1.224961 0.040 Uiso 1 1 d . U . U 17
H249_17 H 0.669122 1.719795 1.185517 0.040 Uiso 1 1 d . U . V 17
H248_17 H 0.706856 1.721187 1.213007 0.040 Uiso 1 1 d . U . W 17
C283_17 C 0.58287(18) 1.69483(18) 1.08339(18) 0.0228(14) Uani 1 1 d . . . E 17
H252_17 H 0.579042 1.674080 1.098241 0.027 Uiso 1 1 calc R U . E 17
H251_17 H 0.557689 1.692898 1.068722 0.027 Uiso 1 1 calc R U . E 17
C284_17 C 0.5949(2) 1.73539(19) 1.1112(2) 0.0293(16) Uani 1 1 d . . . E 17
H255_17 H 0.573923 1.739472 1.127563 0.044 Uiso 1 1 d . U . X 17
H254_17 H 0.599759 1.755973 1.096595 0.044 Uiso 1 1 d . U . Y 17
H253_17 H 0.618712 1.736623 1.127204 0.044 Uiso 1 1 d . U . Z 17
C285_17 C 0.58126(18) 1.6995(2) 0.99477(19) 0.0263(15) Uani 1 1 d . . . E 17
H257_17 H 0.555450 1.686867 1.001335 0.032 Uiso 1 1 calc R U . E 17
H256_17 H 0.583168 1.688203 0.967360 0.032 Uiso 1 1 calc R U . E 17
C286_17 C 0.5840(2) 1.7438(2) 1.0006(2) 0.048(2) Uani 1 1 d . . . E 17
H260_17 H 0.562803 1.748473 0.984751 0.073 Uiso 1 1 d . U . A 17
H259_17 H 0.609171 1.756387 0.993299 0.073 Uiso 1 1 d . U . B 17
H258_17 H 0.581980 1.755155 1.027715 0.073 Uiso 1 1 d . U . C 17
Ni8_18 Ni 0.20520(2) 0.17242(2) 0.55487(2) 0.01402(16) Uani 1 1 d . . . D 18
N25_18 N 0.20761(14) 0.17913(13) 0.50187(13) 0.0142(10) Uani 1 1 d . . . D 18
N26_18 N 0.25974(14) 0.16630(13) 0.55705(13) 0.0149(10) Uani 1 1 d . . . D 18
N27_18 N 0.20343(14) 0.16817(14) 0.60851(13) 0.0154(10) Uani 1 1 d . . . D 18
N28_18 N 0.15143(14) 0.18054(13) 0.55373(13) 0.0149(10) Uani 1 1 d . . . D 18
C287_18 C 0.19246(18) 0.18962(17) 0.44128(17) 0.0195(13) Uani 1 1 d . . . D 18
C288_18 C 0.23023(18) 0.18663(17) 0.44359(17) 0.0203(13) Uani 1 1 d . . . D 18
C289_18 C 0.23906(17) 0.17895(17) 0.48057(17) 0.0177(13) Uani 1 1 d . . . D 18
C290_18 C 0.27500(17) 0.17314(17) 0.49227(17) 0.0182(13) Uani 1 1 d . . . D 18
H29A_18 H 0.294492 0.173418 0.474847 0.022 Uiso 1 1 calc R U . D 18
C291_18 C 0.28389(17) 0.16698(16) 0.52798(17) 0.0165(12) Uani 1 1 d . . . D 18
C292_18 C 0.32253(17) 0.16256(16) 0.54039(18) 0.0187(13) Uani 1 1 d . . . D 18
C293_18 C 0.32131(16) 0.15962(15) 0.57775(17) 0.0158(12) Uani 1 1 d . . . D 18
C294_18 C 0.28202(17) 0.16154(16) 0.58725(18) 0.0178(13) Uani 1 1 d . . . D 18
C295_18 C 0.26969(17) 0.15933(16) 0.62287(16) 0.0164(12) Uani 1 1 d . . . D 18
H29B_18 H 0.287487 0.155580 0.641817 0.020 Uiso 1 1 calc R U . D 18
C296_18 C 0.23247(17) 0.16235(16) 0.63218(16) 0.0166(12) Uani 1 1 d . . . D 18
C297_18 C 0.22047(17) 0.16192(16) 0.67010(17) 0.0176(13) Uani 1 1 d . . . D 18
C298_18 C 0.18315(18) 0.16659(17) 0.66950(16) 0.0182(13) Uani 1 1 d . . . D 18
C299_18 C 0.17340(17) 0.17077(16) 0.63116(16) 0.0153(12) Uani 1 1 d . . . D 18
C300_18 C 0.13772(17) 0.17732(17) 0.61885(17) 0.0175(13) Uani 1 1 d . . . D 18
H30A_18 H 0.118472 0.178005 0.636508 0.021 Uiso 1 1 calc R U . D 18
C301_18 C 0.12824(16) 0.18285(16) 0.58322(16) 0.0148(12) Uani 1 1 d . . . D 18
C302_18 C 0.09128(17) 0.19180(16) 0.57250(18) 0.0191(13) Uani 1 1 d . . . D 18
C303_18 C 0.09199(17) 0.19404(17) 0.53508(17) 0.0182(13) Uani 1 1 d . . . D 18
C304_18 C 0.12950(16) 0.18699(16) 0.52384(17) 0.0161(12) Uani 1 1 d . . . D 18
C305_18 C 0.14193(18) 0.18893(17) 0.48812(17) 0.0194(13) Uani 1 1 d . . . D 18
H30B_18 H 0.124035 0.192637 0.469235 0.023 Uiso 1 1 calc R U . D 18
C306_18 C 0.17890(17) 0.18577(16) 0.47828(17) 0.0165(12) Uani 1 1 d . . . D 18
C307_18 C 0.17001(19) 0.1980(2) 0.40866(18) 0.0282(15) Uani 1 1 d . . . D 18
H30C_18 H 0.141862 0.191555 0.412119 0.034 Uiso 1 1 calc R U . D 18
H30D_18 H 0.174153 0.180430 0.384509 0.034 Uiso 1 1 calc R U . D 18
C308_18 C 0.1812(3) 0.2404(2) 0.4049(2) 0.047(2) Uani 1 1 d . . . D 18
H30E_18 H 0.166748 0.243130 0.381819 0.071 Uiso 1 1 d . U . E 18
H30F_18 H 0.209193 0.247490 0.402695 0.071 Uiso 1 1 d . U . F 18
H30G_18 H 0.174541 0.257785 0.427484 0.071 Uiso 1 1 d . U . G 18
C309_18 C 0.25945(18) 0.19189(18) 0.41478(18) 0.0221(14) Uani 1 1 d . . . D 18
H30H_18 H 0.245321 0.188603 0.389319 0.026 Uiso 1 1 calc R U . D 18
H30I_18 H 0.274508 0.171007 0.412804 0.026 Uiso 1 1 calc R U . D 18
C310_18 C 0.28795(19) 0.2325(2) 0.4253(2) 0.0291(15) Uani 1 1 d . . . D 18
H31A_18 H 0.307683 0.233455 0.406931 0.044 Uiso 1 1 d . U . H 18
H31B_18 H 0.300813 0.236688 0.451193 0.044 Uiso 1 1 d . U . I 18
H31C_18 H 0.273578 0.253207 0.424488 0.044 Uiso 1 1 d . U . J 18
C311_18 C 0.35582(16) 0.16267(17) 0.51650(18) 0.0192(13) Uani 1 1 d . . . D 18
H31D_18 H 0.345800 0.148223 0.489926 0.023 Uiso 1 1 calc R U . D 18
H31E_18 H 0.373821 0.148220 0.526374 0.023 Uiso 1 1 calc R U . D 18
C312_18 C 0.37874(19) 0.20386(19) 0.5156(2) 0.0278(15) Uani 1 1 d . . . D 18
H31F_18 H 0.399746 0.201501 0.498856 0.042 Uiso 1 1 d . U . K 18
H31G_18 H 0.389939 0.217943 0.541590 0.042 Uiso 1 1 d . U . L 18
H31H_18 H 0.361225 0.218369 0.505735 0.042 Uiso 1 1 d . U . M 18
C313_18 C 0.35334(17) 0.15676(17) 0.60544(18) 0.0205(13) Uani 1 1 d . . . D 18
H31I_18 H 0.373202 0.145396 0.591050 0.025 Uiso 1 1 calc R U . D 18
H31J_18 H 0.342511 0.138885 0.621901 0.025 Uiso 1 1 calc R U . D 18
C314_18 C 0.3728(2) 0.19768(19) 0.63084(19) 0.0288(16) Uani 1 1 d . . . D 18
H31K_18 H 0.394797 0.195407 0.647308 0.043 Uiso 1 1 d . U . N 18
H31L_18 H 0.353656 0.207958 0.646824 0.043 Uiso 1 1 d . U . O 18
H31M_18 H 0.382102 0.215898 0.614505 0.043 Uiso 1 1 d . U . P 18
C315_18 C 0.24649(18) 0.15869(18) 0.70339(17) 0.0218(14) Uani 1 1 d . . . D 18
H31N_18 H 0.263786 0.140744 0.693922 0.026 Uiso 1 1 calc R U . D 18
H31O_18 H 0.230226 0.147154 0.721668 0.026 Uiso 1 1 calc R U . D 18
C316_18 C 0.2714(2) 0.1989(2) 0.72417(19) 0.0305(16) Uani 1 1 d . . . D 18
H31P_18 H 0.288107 0.195700 0.745419 0.046 Uiso 1 1 d . U . Q 18
H31Q_18 H 0.254315 0.216503 0.734276 0.046 Uiso 1 1 d . U . R 18
H31R_18 H 0.287628 0.210350 0.706211 0.046 Uiso 1 1 d . U . S 18
C317_18 C 0.15668(19) 0.16862(18) 0.70076(17) 0.0234(14) Uani 1 1 d . . . D 18
H31S_18 H 0.164673 0.154122 0.719414 0.028 Uiso 1 1 calc R U . D 18
H31T_18 H 0.129790 0.155143 0.689624 0.028 Uiso 1 1 calc R U . D 18
C318_18 C 0.1566(2) 0.2108(2) 0.7221(2) 0.0345(17) Uani 1 1 d . . . D 18
H31U_18 H 0.139661 0.210018 0.742994 0.052 Uiso 1 1 d . U . T 18
H31V_18 H 0.146915 0.224897 0.704305 0.052 Uiso 1 1 d . U . U 18
H31W_18 H 0.183230 0.224621 0.732840 0.052 Uiso 1 1 d . U . V 18
C319_18 C 0.06134(18) 0.19904(18) 0.59957(18) 0.0234(14) Uani 1 1 d . . . D 18
H31X_18 H 0.055947 0.177343 0.613207 0.028 Uiso 1 1 calc R U . D 18
H31Y_18 H 0.036786 0.199022 0.584848 0.028 Uiso 1 1 calc R U . D 18
C320_18 C 0.07477(19) 0.23885(18) 0.62932(19) 0.0257(15) Uani 1 1 d . . . D 18
H32A_18 H 0.055590 0.241427 0.648081 0.038 Uiso 1 1 d . U . W 18
H32B_18 H 0.077281 0.260678 0.616211 0.038 Uiso 1 1 d . U . X 18
H32C_18 H 0.100157 0.239878 0.642637 0.038 Uiso 1 1 d . U . Y 18
C321_18 C 0.06217(17) 0.20487(19) 0.51055(19) 0.0240(14) Uani 1 1 d . . . D 18
H32D_18 H 0.035756 0.193990 0.517047 0.029 Uiso 1 1 calc R U . D 18
H32E_18 H 0.063928 0.193017 0.483249 0.029 Uiso 1 1 calc R U . D 18
C322_18 C 0.0684(3) 0.2502(2) 0.5164(2) 0.050(2) Uani 1 1 d . . . D 18
H32F_18 H 0.049455 0.256281 0.498856 0.076 Uiso 1 1 d . U . Z 18
H32G_18 H 0.094890 0.261045 0.510891 0.076 Uiso 1 1 d . U . A 18
H32H_18 H 0.064718 0.261765 0.542883 0.076 Uiso 1 1 d . U . B 18
Ni10_19 Ni 0.45406(2) 0.92399(2) 0.80177(2) 0.01474(16) Uani 1 1 d . . . C 19
N29_19 N 0.45525(14) 0.93199(13) 0.74912(14) 0.0152(10) Uani 1 1 d . . . C 19
N30_19 N 0.50841(13) 0.91724(13) 0.80129(13) 0.0143(10) Uani 1 1 d . . . C 19
N31_19 N 0.45406(14) 0.91939(13) 0.85537(14) 0.0161(10) Uani 1 1 d . . . C 19
N32_19 N 0.40032(14) 0.93259(14) 0.80271(14) 0.0188(11) Uani 1 1 d . . . C 19
C323_19 C 0.47589(18) 0.94065(17) 0.69025(17) 0.0201(13) Uani 1 1 d . . . C 19
C324_19 C 0.48498(17) 0.93084(16) 0.72620(16) 0.0161(12) Uani 1 1 d . . . C 19
C325_19 C 0.52066(17) 0.92274(16) 0.73589(17) 0.0169(12) Uani 1 1 d . . . C 19
H349_19 H 0.538570 0.920714 0.716963 0.020 Uiso 1 1 calc R U . C 19
C326_19 C 0.53141(16) 0.91749(16) 0.77164(17) 0.0154(12) Uani 1 1 d . . . C 19
C327_19 C 0.57027(17) 0.91396(16) 0.78314(18) 0.0187(13) Uani 1 1 d . . . C 19
C328_19 C 0.57097(17) 0.91234(17) 0.82063(17) 0.0183(13) Uani 1 1 d . . . C 19
C329_19 C 0.53241(17) 0.91444(17) 0.83171(17) 0.0186(13) Uani 1 1 d . . . C 19
C330_19 C 0.52154(17) 0.91379(16) 0.86795(17) 0.0167(13) Uani 1 1 d . . . C 19
H350_19 H 0.540578 0.911999 0.886839 0.020 Uiso 1 1 calc R U . C 19
C331_19 C 0.48446(17) 0.91558(16) 0.87856(17) 0.0173(13) Uani 1 1 d . . . C 19
C332_19 C 0.47395(19) 0.91381(17) 0.91667(17) 0.0208(14) Uani 1 1 d . . . C 19
C333_19 C 0.43566(18) 0.91528(17) 0.91634(18) 0.0213(14) Uani 1 1 d . . . C 19
C334_19 C 0.42415(17) 0.91935(16) 0.87829(17) 0.0169(13) Uani 1 1 d . . . C 19
C335_19 C 0.38774(17) 0.92494(17) 0.86773(17) 0.0187(13) Uani 1 1 d . . . C 19
H351_19 H 0.368627 0.923730 0.885511 0.022 Uiso 1 1 calc R U . C 19
C336_19 C 0.37779(17) 0.93223(16) 0.83248(17) 0.0173(13) Uani 1 1 d . . . C 19
C337_19 C 0.34064(17) 0.94184(17) 0.82365(18) 0.0199(13) Uani 1 1 d . . . C 19
C338_19 C 0.34105(18) 0.94811(17) 0.78735(18) 0.0212(14) Uani 1 1 d . . . C 19
C339_19 C 0.37835(18) 0.94253(17) 0.77508(18) 0.0198(13) Uani 1 1 d . . . C 19
C340_19 C 0.39065(17) 0.94679(17) 0.73934(17) 0.0185(13) Uani 1 1 d . . . C 19
H352_19 H 0.373145 0.952995 0.721759 0.022 Uiso 1 1 calc R U . C 19
C341_19 C 0.42688(18) 0.94246(17) 0.72826(17) 0.0200(13) Uani 1 1 d . . . C 19
C342_19 C 0.43940(18) 0.94776(17) 0.69145(17) 0.0202(13) Uani 1 1 d . . . C 19
C343_19 C 0.4177(2) 0.96269(19) 0.66245(19) 0.0277(15) Uani 1 1 d . . . C 19
H310_19 H 0.389337 0.954895 0.664298 0.033 Uiso 1 1 calc R U . C 19
H309_19 H 0.423054 0.950392 0.636320 0.033 Uiso 1 1 calc R U . C 19
C344_19 C 0.4299(2) 1.0078(2) 0.6689(2) 0.0377(18) Uani 1 1 d . . . C 19
H313_19 H 0.414326 1.016645 0.650551 0.056 Uiso 1 1 d . U . D 19
H312_19 H 0.457611 1.015370 0.665295 0.056 Uiso 1 1 d . U . E 19
H311_19 H 0.425549 1.019957 0.695111 0.056 Uiso 1 1 d . U . F 19
C345_19 C 0.50382(19) 0.94567(18) 0.66062(17) 0.0231(14) Uani 1 1 d . . . C 19
H315_19 H 0.489232 0.945713 0.636310 0.028 Uiso 1 1 calc R U . C 19
H314_19 H 0.516717 0.923064 0.655774 0.028 Uiso 1 1 calc R U . C 19
C346_19 C 0.5351(2) 0.98437(19) 0.6734(2) 0.0302(16) Uani 1 1 d . . . C 19
H318_19 H 0.552794 0.986713 0.653312 0.045 Uiso 1 1 d . U . G 19
H317_19 H 0.549964 0.984205 0.697164 0.045 Uiso 1 1 d . U . H 19
H316_19 H 0.522427 1.006829 0.677785 0.045 Uiso 1 1 d . U . I 19
C347_19 C 0.60323(18) 0.91454(17) 0.75787(19) 0.0224(14) Uani 1 1 d . . . C 19
H320_19 H 0.592770 0.899576 0.731568 0.027 Uiso 1 1 calc R U . C 19
H319_19 H 0.622272 0.900988 0.767469 0.027 Uiso 1 1 calc R U . C 19
C348_19 C 0.62448(19) 0.95642(19) 0.7563(2) 0.0287(15) Uani 1 1 d . . . C 19
H323_19 H 0.647719 0.955022 0.742423 0.043 Uiso 1 1 d . U . J 19
H322_19 H 0.632298 0.972421 0.782334 0.043 Uiso 1 1 d . U . K 19
H321_19 H 0.606998 0.968448 0.742800 0.043 Uiso 1 1 d . U . L 19
C349_19 C 0.60486(18) 0.91014(18) 0.84717(18) 0.0239(14) Uani 1 1 d . . . C 19
H325_19 H 0.622413 0.895689 0.832151 0.029 Uiso 1 1 calc R U . C 19
H324_19 H 0.594902 0.895340 0.866437 0.029 Uiso 1 1 calc R U . C 19
C350_19 C 0.6279(2) 0.9516(2) 0.8678(2) 0.0349(17) Uani 1 1 d . . . C 19
H328_19 H 0.650883 0.949422 0.883151 0.052 Uiso 1 1 d . U . M 19
H327_19 H 0.611343 0.965082 0.884539 0.052 Uiso 1 1 d . U . N 19
H326_19 H 0.636494 0.966867 0.848700 0.052 Uiso 1 1 d . U . O 19
C351_19 C 0.50123(19) 0.91242(18) 0.94961(18) 0.0251(14) Uani 1 1 d . . . C 19
H330_19 H 0.517911 0.893719 0.940458 0.030 Uiso 1 1 calc R U . C 19
H329_19 H 0.485886 0.902622 0.969364 0.030 Uiso 1 1 calc R U . C 19
C352_19 C 0.5270(2) 0.9531(2) 0.96747(19) 0.0309(16) Uani 1 1 d . . . C 19
H333_19 H 0.545029 0.950983 0.988345 0.046 Uiso 1 1 d . U . P 19
H332_19 H 0.510672 0.971325 0.977720 0.046 Uiso 1 1 d . U . Q 19
H331_19 H 0.542035 0.962999 0.947926 0.046 Uiso 1 1 d . U . R 19
C353_19 C 0.40944(19) 0.91441(19) 0.94835(18) 0.0257(15) Uani 1 1 d . . . C 19
H335_19 H 0.418882 0.899721 0.966092 0.031 Uiso 1 1 calc R U . C 19
H334_19 H 0.382757 0.899994 0.937363 0.031 Uiso 1 1 calc R U . C 19
C354_19 C 0.4078(2) 0.9555(2) 0.9710(2) 0.0371(18) Uani 1 1 d . . . C 19
H338_19 H 0.391588 0.953026 0.992225 0.056 Uiso 1 1 d . U . S 19
H337_19 H 0.396351 0.969403 0.954064 0.056 Uiso 1 1 d . U . T 19
H336_19 H 0.434161 0.970290 0.981205 0.056 Uiso 1 1 d . U . U 19
C355_19 C 0.31003(19) 0.94567(18) 0.85079(19) 0.0247(14) Uani 1 1 d . . . C 19
H340_19 H 0.306485 0.923326 0.863640 0.030 Uiso 1 1 calc R U . C 19
H339_19 H 0.284964 0.944104 0.836113 0.030 Uiso 1 1 calc R U . C 19
C356_19 C 0.3205(2) 0.98490(19) 0.8816(2) 0.0329(17) Uani 1 1 d . . . C 19
H343_19 H 0.299662 0.986111 0.898660 0.049 Uiso 1 1 d . U . V 19
H342_19 H 0.323608 1.007175 0.869100 0.049 Uiso 1 1 d . U . W 19
H341_19 H 0.345046 0.986360 0.896660 0.049 Uiso 1 1 d . U . X 19
C357_19 C 0.30988(18) 0.95937(19) 0.7647(2) 0.0275(15) Uani 1 1 d . . . C 19
H345_19 H 0.285707 0.938557 0.761471 0.033 Uiso 1 1 calc R U . C 19
H344_19 H 0.318148 0.960288 0.738858 0.033 Uiso 1 1 calc R U . C 19
C358_19 C 0.3006(2) 0.9992(2) 0.7830(2) 0.0355(17) Uani 1 1 d . . . C 19
H348_19 H 0.279819 1.004125 0.766763 0.053 Uiso 1 1 d . U . Y 19
H347_19 H 0.324082 1.020161 0.785161 0.053 Uiso 1 1 d . U . Z 19
H346_19 H 0.292173 0.998516 0.808445 0.053 Uiso 1 1 d . U . A 19
Ni1_20 Ni 0.13422(2) -0.17267(2) 0.11490(2) 0.01422(16) Uani 1 1 d . . . B 20
N33_20 N 0.13529(14) -0.16700(13) 0.06176(13) 0.0149(10) Uani 1 1 d . . . B 20
N34_20 N 0.18765(14) -0.18157(14) 0.11428(14) 0.0175(11) Uani 1 1 d . . . B 20
N35_20 N 0.13299(13) -0.17972(13) 0.16789(13) 0.0145(10) Uani 1 1 d . . . B 20
N36_20 N 0.08009(14) -0.16679(13) 0.11448(13) 0.0163(11) Uani 1 1 d . . . B 20
C359_20 C 0.16523(18) -0.16797(16) 0.03855(17) 0.0172(13) Uani 1 1 d . . . B 20
C360_20 C 0.20149(17) -0.17430(15) 0.04934(16) 0.0151(12) Uani 1 1 d . . . B 20
H393_20 H 0.220826 -0.173297 0.031767 0.018 Uiso 1 1 calc R U . B 20
C361_20 C 0.21069(17) -0.18202(16) 0.08471(17) 0.0171(13) Uani 1 1 d . . . B 20
C362_20 C 0.24698(17) -0.19330(17) 0.09370(18) 0.0199(13) Uani 1 1 d . . . B 20
C363_20 C 0.24613(17) -0.19823(16) 0.13026(17) 0.0179(13) Uani 1 1 d . . . B 20
C364_20 C 0.20885(16) -0.19093(16) 0.14276(17) 0.0165(12) Uani 1 1 d . . . B 20
C365_20 C 0.19783(18) -0.19316(17) 0.17853(17) 0.0184(13) Uani 1 1 d . . . B 20
H394_20 H 0.215812 -0.198432 0.196321 0.022 Uiso 1 1 calc R U . B 20
C366_20 C 0.16171(17) -0.18810(17) 0.19011(16) 0.0172(13) Uani 1 1 d . . . B 20
C367_20 C 0.14954(18) -0.19253(17) 0.22713(17) 0.0194(13) Uani 1 1 d . . . B 20
C368_20 C 0.11249(17) -0.18683(17) 0.22710(16) 0.0174(13) Uani 1 1 d . . . B 20
C369_20 C 0.10290(17) -0.17882(16) 0.19041(17) 0.0161(12) Uani 1 1 d . . . B 20
C370_20 C 0.06682(18) -0.17229(17) 0.17984(17) 0.0182(13) Uani 1 1 d . . . B 20
H395_20 H 0.048437 -0.171017 0.198360 0.022 Uiso 1 1 calc R U . B 20
C371_20 C 0.05613(17) -0.16752(16) 0.14369(16) 0.0151(12) Uani 1 1 d . . . B 20
C372_20 C 0.01743(17) -0.16352(17) 0.13191(18) 0.0186(13) Uani 1 1 d . . . B 20
C373_20 C 0.01762(18) -0.16077(17) 0.09476(18) 0.0211(14) Uani 1 1 d . . . B 20
C374_20 C 0.05625(17) -0.16319(16) 0.08414(17) 0.0171(13) Uani 1 1 d . . . B 20
C375_20 C 0.06791(18) -0.16127(17) 0.04831(16) 0.0182(13) Uani 1 1 d . . . B 20
H396_20 H 0.049306 -0.158653 0.029460 0.022 Uiso 1 1 calc R U . B 20
C376_20 C 0.10529(18) -0.16295(16) 0.03806(16) 0.0170(13) Uani 1 1 d . . . B 20
C377_20 C 0.11665(18) -0.16125(17) 0.00025(17) 0.0186(13) Uani 1 1 d . . . B 20
C378_20 C 0.15423(18) -0.16412(16) 0.00044(17) 0.0184(13) Uani 1 1 d . . . B 20
C379_20 C 0.18051(18) -0.16473(17) -0.03102(17) 0.0200(13) Uani 1 1 d . . . B
20
H354_20 H 0.207360 -0.151004 -0.019930 0.024 Uiso 1 1 calc R U . B 20
H353_20 H 0.171973 -0.149977 -0.049169 0.024 Uiso 1 1 calc R U . B 20
C380_20 C 0.1810(2) -0.2069(2) -0.0533(2) 0.0321(16) Uani 1 1 d . . . B 20
H357_20 H 0.199099 -0.205403 -0.073129 0.048 Uiso 1 1 d . U . C 20
H356_20 H 0.154792 -0.220317 -0.065203 0.048 Uiso 1 1 d . U . D 20
H355_20 H 0.189681 -0.221587 -0.035466 0.048 Uiso 1 1 d . U . E 20
C381_20 C 0.27661(17) -0.20045(18) 0.06581(18) 0.0214(14) Uani 1 1 d . . . B 20
H359_20 H 0.300899 -0.202139 0.079873 0.026 Uiso 1 1 calc R U . B 20
H358_20 H 0.282855 -0.177879 0.053393 0.026 Uiso 1 1 calc R U . B 20
C382_20 C 0.26180(19) -0.23863(19) 0.03482(19) 0.0266(15) Uani 1 1 d . . . B 20
H362_20 H 0.282074 -0.242693 0.017595 0.040 Uiso 1 1 d . U . F 20
H361_20 H 0.238385 -0.236561 0.020053 0.040 Uiso 1 1 d . U . G 20
H360_20 H 0.255324 -0.261034 0.047001 0.040 Uiso 1 1 d . U . H 20
C383_20 C 0.27484(18) -0.21293(19) 0.1528(2) 0.0267(15) Uani 1 1 d . . . B 20
H364_20 H 0.277706 -0.198457 0.179958 0.032 Uiso 1 1 calc R U . B 20
H363_20 H 0.300632 -0.207504 0.142735 0.032 Uiso 1 1 calc R U . B 20
C384_20 C 0.2617(2) -0.2575(2) 0.1504(2) 0.0327(17) Uani 1 1 d . . . B 20
H367_20 H 0.281201 -0.266041 0.165126 0.049 Uiso 1 1 d . U . I 20
H366_20 H 0.259059 -0.271887 0.123540 0.049 Uiso 1 1 d . U . J 20
H365_20 H 0.236554 -0.262823 0.161023 0.049 Uiso 1 1 d . U . K 20
C385_20 C 0.17255(19) -0.20306(18) 0.25791(17) 0.0223(14) Uani 1 1 d . . . B 20
H369_20 H 0.164920 -0.191147 0.283191 0.027 Uiso 1 1 calc R U . B 20
H368_20 H 0.200620 -0.191821 0.257235 0.027 Uiso 1 1 calc R U . B 20
C386_20 C 0.1663(3) -0.2478(2) 0.2535(2) 0.050(2) Uani 1 1 d . . . B 20
H372_20 H 0.184506 -0.253361 0.271992 0.075 Uiso 1 1 d . U . L 20
H371_20 H 0.170761 -0.260058 0.227403 0.075 Uiso 1 1 d . U . M 20
H370_20 H 0.139415 -0.258422 0.258249 0.075 Uiso 1 1 d . U . N 20
C387_20 C 0.08414(18) -0.19172(18) 0.25695(16) 0.0205(13) Uani 1 1 d . . . B 20
H374_20 H 0.068416 -0.171408 0.258708 0.025 Uiso 1 1 calc R U . B 20
H373_20 H 0.098922 -0.187515 0.282252 0.025 Uiso 1 1 calc R U . B 20
C388_20 C 0.0568(2) -0.2327(2) 0.2475(2) 0.0325(16) Uani 1 1 d . . . B 20
H377_20 H 0.040834 -0.235548 0.268726 0.049 Uiso 1 1 d . U . O 20
H376_20 H 0.072270 -0.252888 0.243510 0.049 Uiso 1 1 d . U . P 20
H375_20 H 0.039813 -0.235625 0.224034 0.049 Uiso 1 1 d . U . Q 20
C389_20 C -0.01567(18) -0.16384(18) 0.15670(18) 0.0230(14) Uani 1 1 d . . . B
20
H379_20 H -0.034102 -0.149556 0.147260 0.028 Uiso 1 1 calc R U . B 20
H378_20 H -0.005303 -0.149475 0.183206 0.028 Uiso 1 1 calc R U . B 20
C390_20 C -0.0377(2) -0.2052(2) 0.1574(2) 0.0311(16) Uani 1 1 d . . . B 20
H382_20 H -0.058474 -0.203484 0.174572 0.047 Uiso 1 1 d . U . R 20
H381_20 H -0.019630 -0.219542 0.166823 0.047 Uiso 1 1 d . U . S 20
H380_20 H -0.049146 -0.219277 0.131522 0.047 Uiso 1 1 d . U . T 20
C391_20 C -0.01582(18) -0.15893(18) 0.06765(17) 0.0219(14) Uani 1 1 d . . . B
20
H384_20 H -0.005746 -0.142137 0.049976 0.026 Uiso 1 1 calc R U . B 20
H383_20 H -0.034741 -0.146517 0.082591 0.026 Uiso 1 1 calc R U . B 20
C392_20 C -0.0367(2) -0.1996(2) 0.0443(2) 0.0311(16) Uani 1 1 d . . . B 20
H387_20 H -0.058629 -0.197021 0.027849 0.047 Uiso 1 1 d . U . U 20
H386_20 H -0.046357 -0.216419 0.061680 0.047 Uiso 1 1 d . U . V 20
H385_20 H -0.018408 -0.211366 0.028353 0.047 Uiso 1 1 d . U . W 20
C393_20 C 0.08951(18) -0.15884(17) -0.03276(17) 0.0205(13) Uani 1 1 d . . . B
20
H389_20 H 0.105109 -0.146502 -0.050999 0.025 Uiso 1 1 calc R U . B 20
H388_20 H 0.071684 -0.141670 -0.022812 0.025 Uiso 1 1 calc R U . B 20
C394_20 C 0.0652(2) -0.19945(19) -0.05426(19) 0.0296(16) Uani 1 1 d . . . B 20
H392_20 H 0.049080 -0.196331 -0.075992 0.044 Uiso 1 1 d . U . X 20
H390_20 H 0.048264 -0.211012 -0.036773 0.044 Uiso 1 1 d . U . Y 20
H391_20 H 0.082627 -0.216817 -0.063598 0.044 Uiso 1 1 d . U . Z 20
Ni7_21 Ni 0.21277(2) 0.07645(2) 0.53460(2) 0.01451(16) Uani 1 1 d . . . A 21
N37_21 N 0.21588(14) 0.08010(13) 0.48112(13) 0.0142(10) Uani 1 1 d . . . A 21
N38_21 N 0.26672(14) 0.06781(13) 0.53674(14) 0.0162(11) Uani 1 1 d . . . A 21
N39_21 N 0.20876(13) 0.06958(13) 0.58729(13) 0.0153(10) Uani 1 1 d . . . A 21
N40_21 N 0.15845(13) 0.08371(13) 0.53180(13) 0.0131(10) Uani 1 1 d . . . A 21
C395_21 C 0.14927(18) 0.08755(17) 0.46485(17) 0.0193(13) Uani 1 1 d . . . A 21
H437_21 H 0.131624 0.090314 0.445210 0.023 Uiso 1 1 calc R U . A 21
C396_21 C 0.18647(17) 0.08434(16) 0.45638(16) 0.0146(12) Uani 1 1 d . . . A 21
C397_21 C 0.19979(18) 0.08556(17) 0.41890(17) 0.0202(13) Uani 1 1 d . . . A 21
C398_21 C 0.23753(18) 0.08260(17) 0.42094(17) 0.0205(13) Uani 1 1 d . . . A 21
C399_21 C 0.24671(17) 0.07847(16) 0.45945(17) 0.0173(13) Uani 1 1 d . . . A 21
C400_21 C 0.28234(17) 0.07235(17) 0.47222(17) 0.0193(13) Uani 1 1 d . . . A 21
H438_21 H 0.302109 0.072126 0.455104 0.023 Uiso 1 1 calc R U . A 21
C401_21 C 0.29069(17) 0.06661(16) 0.50817(17) 0.0170(13) Uani 1 1 d . . . A 21
C402_21 C 0.32713(17) 0.05717(17) 0.51988(19) 0.0221(14) Uani 1 1 d . . . A 21
C403_21 C 0.32470(17) 0.05324(17) 0.55682(18) 0.0207(13) Uani 1 1 d . . . A 21
C404_21 C 0.28696(18) 0.05960(16) 0.56697(17) 0.0189(13) Uani 1 1 d . . . A 21
C405_21 C 0.27334(17) 0.05691(17) 0.60150(17) 0.0185(13) Uani 1 1 d . . . A 21
H439_21 H 0.290232 0.051698 0.620329 0.022 Uiso 1 1 calc R U . A 21
C406_21 C 0.23653(17) 0.06128(17) 0.61097(17) 0.0188(13) Uani 1 1 d . . . A 21
C407_21 C 0.22175(19) 0.05661(17) 0.64711(18) 0.0223(14) Uani 1 1 d . . . A 21
C408_21 C 0.18507(17) 0.06230(17) 0.64525(17) 0.0177(13) Uani 1 1 d . . . A 21
C409_21 C 0.17775(17) 0.07084(16) 0.60842(16) 0.0161(12) Uani 1 1 d . . . A 21
C410_21 C 0.14225(17) 0.07851(16) 0.59622(16) 0.0173(13) Uani 1 1 d . . . A 21
H440_21 H 0.123076 0.080038 0.613900 0.021 Uiso 1 1 calc R U . A 21
C411_21 C 0.13356(17) 0.08391(16) 0.56064(17) 0.0166(12) Uani 1 1 d . . . A 21
C412_21 C 0.09556(17) 0.08732(17) 0.54676(18) 0.0181(13) Uani 1 1 d . . . A 21
C413_21 C 0.09713(18) 0.08938(17) 0.50952(18) 0.0195(13) Uani 1 1 d . . . A 21
C414_21 C 0.13647(17) 0.08694(17) 0.50079(17) 0.0181(13) Uani 1 1 d . . . A 21
C415_21 C 0.17445(19) 0.08850(19) 0.38525(17) 0.0249(14) Uani 1 1 d . . . A 21
H397_21 H 0.191179 0.098524 0.366506 0.030 Uiso 1 1 calc R U . A 21
H398_21 H 0.158134 0.107661 0.394039 0.030 Uiso 1 1 calc R U . A 21
C416_21 C 0.1478(2) 0.0484(2) 0.36538(19) 0.0325(16) Uani 1 1 d . . . A 21
H401_21 H 0.130238 0.051988 0.344995 0.049 Uiso 1 1 d . U . B 21
H400_21 H 0.132400 0.037503 0.384201 0.049 Uiso 1 1 d . U . C 21
H399_21 H 0.163837 0.030121 0.354245 0.049 Uiso 1 1 d . U . D 21
C417_21 C 0.26502(19) 0.08141(18) 0.38987(17) 0.0245(14) Uani 1 1 d . . . A 21
H403_21 H 0.291733 0.094930 0.401546 0.029 Uiso 1 1 calc R U . A 21
H402_21 H 0.257296 0.096127 0.371312 0.029 Uiso 1 1 calc R U . A 21
C418_21 C 0.2655(2) 0.0391(2) 0.3681(2) 0.0407(19) Uani 1 1 d . . . A 21
H406_21 H 0.284529 0.040220 0.349151 0.061 Uiso 1 1 d . U . E 21
H405_21 H 0.239490 0.026120 0.355096 0.061 Uiso 1 1 d . U . F 21
H404_21 H 0.272651 0.024182 0.386365 0.061 Uiso 1 1 d . U . G 21
C419_21 C 0.35845(18) 0.05054(19) 0.49425(19) 0.0261(15) Uani 1 1 d . . . A 21
H408_21 H 0.382656 0.051617 0.510106 0.031 Uiso 1 1 calc R U . A 21
H407_21 H 0.363854 0.072030 0.480351 0.031 Uiso 1 1 calc R U . A 21
C420_21 C 0.3473(2) 0.0105(2) 0.4648(2) 0.0325(16) Uani 1 1 d . . . A 21
H411_21 H 0.368030 0.008028 0.447815 0.049 Uiso 1 1 d . U . H 21
H410_21 H 0.322832 0.008793 0.449599 0.049 Uiso 1 1 d . U . I 21
H409_21 H 0.343830 -0.011034 0.478429 0.049 Uiso 1 1 d . U . J 21
C421_21 C 0.35366(18) 0.04176(19) 0.5823(2) 0.0285(15) Uani 1 1 d . . . A 21
H413_21 H 0.352548 0.055192 0.609241 0.034 Uiso 1 1 calc R U . A 21
H412_21 H 0.380293 0.050883 0.575232 0.034 Uiso 1 1 calc R U . A 21
C422_21 C 0.3457(3) -0.0028(2) 0.5789(3) 0.054(2) Uani 1 1 d . . . A 21
H416_21 H 0.364691 -0.008731 0.596537 0.081 Uiso 1 1 d . U . K 21
H415_21 H 0.348320 -0.016128 0.552543 0.081 Uiso 1 1 d . U . L 21
H414_21 H 0.319318 -0.012055 0.585465 0.081 Uiso 1 1 d . U . M 21
C423_21 C 0.2428(2) 0.0448(2) 0.67892(18) 0.0274(15) Uani 1 1 d . . . A 21
H418_21 H 0.232782 0.054819 0.703580 0.033 Uiso 1 1 calc R U . A 21
H417_21 H 0.270970 0.057048 0.680880 0.033 Uiso 1 1 calc R U . A 21
C424_21 C 0.2373(2) -0.0002(2) 0.6718(2) 0.0410(19) Uani 1 1 d . . . A 21
H421_21 H 0.250865 -0.006859 0.693201 0.062 Uiso 1 1 d . U . N 21
H420_21 H 0.248189 -0.009998 0.647914 0.062 Uiso 1 1 d . U . O 21
H419_21 H 0.209464 -0.012380 0.669734 0.062 Uiso 1 1 d . U . P 21
C425_21 C 0.15484(19) 0.05738(19) 0.67322(18) 0.0243(14) Uani 1 1 d . . . A 21
H423_21 H 0.140367 0.078732 0.675165 0.029 Uiso 1 1 calc R U . A 21
H422_21 H 0.167957 0.059614 0.698911 0.029 Uiso 1 1 calc R U . A 21
C426_21 C 0.1259(2) 0.0170(2) 0.66047(19) 0.0298(16) Uani 1 1 d . . . A 21
H426_21 H 0.107050 0.014195 0.679410 0.045 Uiso 1 1 d . U . Q 21
H424_21 H 0.140213 -0.004192 0.658083 0.045 Uiso 1 1 d . U . R 21
H425_21 H 0.112005 0.015248 0.635485 0.045 Uiso 1 1 d . U . S 21
C427_21 C 0.06122(17) 0.08744(18) 0.57051(18) 0.0210(13) Uani 1 1 d . . . A 21
H428_21 H 0.042564 0.100399 0.559354 0.025 Uiso 1 1 calc R U . A 21
H427_21 H 0.070502 0.103093 0.596859 0.025 Uiso 1 1 calc R U . A 21
C428_21 C 0.04005(19) 0.04571(19) 0.57240(19) 0.0271(15) Uani 1 1 d . . . A 21
H431_21 H 0.019033 0.047338 0.589240 0.041 Uiso 1 1 d . U . T 21
H430_21 H 0.058553 0.032304 0.582473 0.041 Uiso 1 1 d . U . U 21
H429_21 H 0.028923 0.030740 0.546573 0.041 Uiso 1 1 d . U . V 21
C429_21 C 0.06466(17) 0.09080(17) 0.48083(17) 0.0199(13) Uani 1 1 d . . . A 21
H433_21 H 0.075911 0.105436 0.461908 0.024 Uiso 1 1 calc R U . A 21
H432_21 H 0.046313 0.105301 0.494416 0.024 Uiso 1 1 calc R U . A 21
C430_21 C 0.0423(2) 0.04971(19) 0.4598(2) 0.0304(16) Uani 1 1 d . . . A 21
H436_21 H 0.021190 0.051923 0.442101 0.046 Uiso 1 1 d . U . W 21
H435_21 H 0.031305 0.034972 0.478404 0.046 Uiso 1 1 d . U . X 21
H434_21 H 0.060115 0.035657 0.445252 0.046 Uiso 1 1 d . U . Y 21
Ni5_22 Ni -0.06052(2) -0.67264(2) 0.29816(2) 0.01453(16) Uani 1 1 d . . . Z 22
N41_22 N -0.06355(14) -0.66630(14) 0.24501(13) 0.0164(10) Uani 1 1 d . . . Z 22
N42_22 N -0.00640(14) -0.67894(13) 0.29494(13) 0.0153(10) Uani 1 1 d . . . Z 22
N43_22 N -0.05861(14) -0.68167(13) 0.35056(13) 0.0154(10) Uani 1 1 d . . . Z 22
N44_22 N -0.11542(14) -0.66881(13) 0.30089(13) 0.0162(11) Uani 1 1 d . . . Z 22
C431_22 C -0.09493(17) -0.66133(16) 0.22342(16) 0.0163(12) Uani 1 1 d . . . Z
22
C432_22 C -0.08575(18) -0.65934(17) 0.18480(17) 0.0195(13) Uani 1 1 d . . . Z
22
C433_22 C -0.04806(18) -0.66319(17) 0.18284(17) 0.0186(13) Uani 1 1 d . . . Z
22
C434_22 C -0.03506(17) -0.66741(16) 0.22006(16) 0.0156(12) Uani 1 1 d . . . Z
22
C435_22 C 0.00157(17) -0.67340(17) 0.22865(16) 0.0172(12) Uani 1 1 d . . . Z 22
H481_22 H 0.019087 -0.673394 0.209311 0.021 Uiso 1 1 calc R U . Z 22
C436_22 C 0.01463(17) -0.67947(16) 0.26381(16) 0.0158(12) Uani 1 1 d . . . Z 22
C437_22 C 0.05248(17) -0.68684(17) 0.27164(17) 0.0185(13) Uani 1 1 d . . . Z 22
C438_22 C 0.05522(17) -0.69004(17) 0.30856(17) 0.0188(13) Uani 1 1 d . . . Z 22
C439_22 C 0.01835(17) -0.68552(16) 0.32263(17) 0.0170(12) Uani 1 1 d . . . Z 22
C440_22 C 0.00851(18) -0.68957(17) 0.35857(17) 0.0203(13) Uani 1 1 d . . . Z 22
H482_22 H 0.027952 -0.693807 0.375564 0.024 Uiso 1 1 calc R U . Z 22
C441_22 C -0.02763(18) -0.68791(17) 0.37171(16) 0.0193(13) Uani 1 1 d . . . Z
22
C442_22 C -0.03875(18) -0.69502(17) 0.40834(17) 0.0213(13) Uani 1 1 d . . . Z
22
C443_22 C -0.07645(18) -0.69230(17) 0.41014(17) 0.0199(13) Uani 1 1 d . . . Z
22
C444_22 C -0.08848(17) -0.68383(15) 0.37388(16) 0.0151(12) Uani 1 1 d . . . Z
22
C445_22 C -0.12491(17) -0.67790(16) 0.36535(17) 0.0172(12) Uani 1 1 d . . . Z
22
H483_22 H -0.142682 -0.678660 0.384429 0.021 Uiso 1 1 calc R U . Z 22
C446_22 C -0.13750(16) -0.67088(15) 0.33081(17) 0.0156(12) Uani 1 1 d . . . Z
22
C447_22 C -0.17656(17) -0.66655(17) 0.32205(17) 0.0193(13) Uani 1 1 d . . . Z
22
C448_22 C -0.17833(17) -0.66161(17) 0.28516(19) 0.0216(14) Uani 1 1 d . . . Z
22
C449_22 C -0.14021(17) -0.66303(16) 0.27243(16) 0.0179(13) Uani 1 1 d . . . Z
22
C450_22 C -0.13095(18) -0.65909(16) 0.23614(17) 0.0185(13) Uani 1 1 d . . . Z
22
H484_22 H -0.150321 -0.654630 0.219211 0.022 Uiso 1 1 calc R U . Z 22
C451_22 C -0.11436(18) -0.65678(17) 0.15344(16) 0.0195(13) Uani 1 1 d . . . Z
22
H442_22 H -0.100041 -0.643341 0.135132 0.023 Uiso 1 1 calc R U . Z 22
H441_22 H -0.132513 -0.640589 0.164721 0.023 Uiso 1 1 calc R U . Z 22
C452_22 C -0.1378(2) -0.6971(2) 0.13183(19) 0.0319(16) Uani 1 1 d . . . Z 22
H445_22 H -0.156057 -0.693958 0.111782 0.048 Uiso 1 1 d . U . A 22
H444_22 H -0.152458 -0.710412 0.149719 0.048 Uiso 1 1 d . U . B 22
H443_22 H -0.120062 -0.713142 0.120040 0.048 Uiso 1 1 d . U . C 22
C453_22 C -0.02431(19) -0.66430(18) 0.14902(17) 0.0216(14) Uani 1 1 d . . . Z
22
H447_22 H 0.002640 -0.649134 0.157983 0.026 Uiso 1 1 calc R U . Z 22
H446_22 H -0.035469 -0.651172 0.130774 0.026 Uiso 1 1 calc R U . Z 22
C454_22 C -0.02289(19) -0.70633(19) 0.12789(18) 0.0257(14) Uani 1 1 d . . . Z
22
H450_22 H -0.009015 -0.705147 0.104997 0.039 Uiso 1 1 d . U . D 22
H449_22 H -0.049550 -0.721965 0.120329 0.039 Uiso 1 1 d . U . E 22
H448_22 H -0.009259 -0.718468 0.144914 0.039 Uiso 1 1 d . U . F 22
C455_22 C 0.08085(17) -0.69316(18) 0.24203(17) 0.0207(13) Uani 1 1 d . . . Z 22
H452_22 H 0.106989 -0.690555 0.255165 0.025 Uiso 1 1 calc R U . Z 22
H451_22 H 0.082783 -0.672435 0.227215 0.025 Uiso 1 1 calc R U . Z 22
C456_22 C 0.0685(2) -0.7340(2) 0.21420(19) 0.0285(15) Uani 1 1 d . . . Z 22
H455_22 H 0.087346 -0.736555 0.195050 0.043 Uiso 1 1 d . U . G 22
H454_22 H 0.042570 -0.736811 0.201253 0.043 Uiso 1 1 d . U . H 22
H453_22 H 0.067790 -0.754680 0.228558 0.043 Uiso 1 1 d . U . I 22
C457_22 C 0.08916(18) -0.69826(19) 0.33011(18) 0.0249(14) Uani 1 1 d . . . Z 22
H457_22 H 0.087875 -0.688836 0.357972 0.030 Uiso 1 1 calc R U . Z 22
H456_22 H 0.113725 -0.683274 0.323227 0.030 Uiso 1 1 calc R U . Z 22
C458_22 C 0.0898(2) -0.7421(2) 0.3215(2) 0.043(2) Uani 1 1 d . . . Z 22
H460_22 H 0.112694 -0.745839 0.335964 0.064 Uiso 1 1 d . U . J 22
H459_22 H 0.091492 -0.751528 0.293986 0.064 Uiso 1 1 d . U . K 22
H458_22 H 0.066077 -0.757085 0.329035 0.064 Uiso 1 1 d . U . L 22
C459_22 C -0.01285(19) -0.70547(19) 0.43721(17) 0.0246(14) Uani 1 1 d . . . Z
22
H462_22 H -0.019216 -0.694554 0.463351 0.029 Uiso 1 1 calc R U . Z 22
H461_22 H 0.014675 -0.693310 0.435120 0.029 Uiso 1 1 calc R U . Z 22
C460_22 C -0.0177(3) -0.7504(2) 0.4312(3) 0.054(2) Uani 1 1 d . . . Z 22
H465_22 H 0.001210 -0.756047 0.449050 0.081 Uiso 1 1 d . U . M 22
H464_22 H -0.013170 -0.761538 0.404790 0.081 Uiso 1 1 d . U . N 22
H463_22 H -0.044199 -0.762174 0.435957 0.081 Uiso 1 1 d . U . O 22
C461_22 C -0.10333(18) -0.69955(18) 0.43996(17) 0.0222(14) Uani 1 1 d . . . Z
22
H467_22 H -0.117460 -0.677919 0.445560 0.027 Uiso 1 1 calc R U . Z 22
H466_22 H -0.087758 -0.699133 0.463862 0.027 Uiso 1 1 calc R U . Z 22
C462_22 C -0.1331(2) -0.7391(2) 0.42772(19) 0.0286(15) Uani 1 1 d . . . Z 22
H470_22 H -0.151491 -0.741356 0.447259 0.043 Uiso 1 1 d . U . P 22
H469_22 H -0.119505 -0.760835 0.424890 0.043 Uiso 1 1 d . U . Q 22
H468_22 H -0.147499 -0.740445 0.403170 0.043 Uiso 1 1 d . U . R 22
C463_22 C -0.20810(18) -0.66734(18) 0.34906(19) 0.0233(14) Uani 1 1 d . . . Z
22
H472_22 H -0.226922 -0.652371 0.341674 0.028 Uiso 1 1 calc R U . Z 22
H471_22 H -0.196214 -0.653985 0.375388 0.028 Uiso 1 1 calc R U . Z 22
C464_22 C -0.2300(2) -0.7091(2) 0.3490(2) 0.0337(17) Uani 1 1 d . . . Z 22
H475_22 H -0.250445 -0.708047 0.366559 0.051 Uiso 1 1 d . U . S 22
H474_22 H -0.211753 -0.723909 0.357313 0.051 Uiso 1 1 d . U . T 22
H473_22 H -0.241937 -0.722587 0.322999 0.051 Uiso 1 1 d . U . U 22
C465_22 C -0.21258(18) -0.65826(18) 0.26080(18) 0.0228(14) Uani 1 1 d . . . Z
22
H477_22 H -0.203793 -0.639208 0.244808 0.027 Uiso 1 1 calc R U . Z 22
H476_22 H -0.231506 -0.648010 0.277491 0.027 Uiso 1 1 calc R U . Z 22
C466_22 C -0.2327(2) -0.6982(2) 0.2348(2) 0.0310(16) Uani 1 1 d . . . Z 22
H480_22 H -0.255362 -0.695068 0.219673 0.046 Uiso 1 1 d . U . V 22
H479_22 H -0.241271 -0.717112 0.250546 0.046 Uiso 1 1 d . U . W 22
H478_22 H -0.214340 -0.707844 0.217470 0.046 Uiso 1 1 d . U . X 22
Ni6_23 Ni -0.03792(2) -0.57688(2) 0.29092(2) 0.01443(16) Uani 1 1 d . . . Y 23
N45_23 N -0.03979(14) -0.56851(13) 0.23820(13) 0.0154(10) Uani 1 1 d . . . Y 23
N46_23 N 0.01664(14) -0.58098(13) 0.28856(14) 0.0154(10) Uani 1 1 d . . . Y 23
N47_23 N -0.03602(14) -0.58396(12) 0.34389(13) 0.0135(10) Uani 1 1 d . . . Y 23
N48_23 N -0.09194(14) -0.56973(12) 0.29419(13) 0.0139(10) Uani 1 1 d . . . Y 23
C467_23 C -0.05904(19) -0.55421(17) 0.18081(17) 0.0206(13) Uani 1 1 d . . . Y
23
C468_23 C -0.02192(18) -0.55910(16) 0.17866(16) 0.0184(13) Uani 1 1 d . . . Y
23
C469_23 C -0.01069(17) -0.56813(16) 0.21456(16) 0.0171(13) Uani 1 1 d . . . Y
23
C470_23 C 0.02598(17) -0.57435(16) 0.22297(16) 0.0160(12) Uani 1 1 d . . . Y 23
H525_23 H 0.043326 -0.574847 0.203469 0.019 Uiso 1 1 calc R U . Y 23
C471_23 C 0.03899(17) -0.57993(16) 0.25815(16) 0.0155(12) Uani 1 1 d . . . Y 23
C472_23 C 0.07782(18) -0.58368(16) 0.26771(17) 0.0175(13) Uani 1 1 d . . . Y 23
C473_23 C 0.08003(18) -0.58665(17) 0.30513(18) 0.0200(13) Uani 1 1 d . . . Y 23
C474_23 C 0.04178(17) -0.58519(16) 0.31735(16) 0.0162(12) Uani 1 1 d . . . Y 23
C475_23 C 0.03250(18) -0.58809(16) 0.35409(17) 0.0190(13) Uani 1 1 d . . . Y 23
H526_23 H 0.052249 -0.590882 0.371683 0.023 Uiso 1 1 calc R U . Y 23
C476_23 C -0.00420(17) -0.58710(16) 0.36626(16) 0.0159(12) Uani 1 1 d . . . Y
23
C477_23 C -0.01353(18) -0.58973(17) 0.40447(17) 0.0187(13) Uani 1 1 d . . . Y
23
C478_23 C -0.05164(18) -0.58776(17) 0.40561(16) 0.0181(13) Uani 1 1 d . . . Y
23
C479_23 C -0.06538(18) -0.58393(15) 0.36838(17) 0.0169(13) Uani 1 1 d . . . Y
23
C480_23 C -0.10188(18) -0.57902(16) 0.35922(17) 0.0176(13) Uani 1 1 d . . . Y
23
H527_23 H -0.120331 -0.581132 0.377568 0.021 Uiso 1 1 calc R U . Y 23
C481_23 C -0.11373(17) -0.57110(16) 0.32457(17) 0.0165(12) Uani 1 1 d . . . Y
23
C482_23 C -0.15148(17) -0.56250(17) 0.31700(18) 0.0192(13) Uani 1 1 d . . . Y
23
C483_23 C -0.15293(18) -0.55647(17) 0.28097(18) 0.0211(13) Uani 1 1 d . . . Y
23
C484_23 C -0.11563(17) -0.56121(16) 0.26667(16) 0.0160(12) Uani 1 1 d . . . Y
23
C485_23 C -0.10563(18) -0.55708(16) 0.23095(17) 0.0187(13) Uani 1 1 d . . . Y
23
H528_23 H -0.124524 -0.551631 0.214229 0.022 Uiso 1 1 calc R U . Y 23
C486_23 C -0.07000(17) -0.56030(16) 0.21775(16) 0.0166(12) Uani 1 1 d . . . Y
23
C487_23 C -0.08424(19) -0.54274(18) 0.15186(18) 0.0238(14) Uani 1 1 d . . . Y
23
H486_23 H -0.112019 -0.552654 0.155082 0.029 Uiso 1 1 calc R U . Y 23
H485_23 H -0.079348 -0.555477 0.125713 0.029 Uiso 1 1 calc R U . Y 23
C488_23 C -0.0765(3) -0.4983(2) 0.1559(3) 0.071(3) Uani 1 1 d . . . Y 23
H489_23 H -0.095155 -0.492126 0.138157 0.107 Uiso 1 1 d . U . Z 23
H488_23 H -0.049857 -0.488836 0.149577 0.107 Uiso 1 1 d . U . A 23
H487_23 H -0.079235 -0.485336 0.182201 0.107 Uiso 1 1 d . U . B 23
C489_23 C 0.00452(18) -0.55383(17) 0.14751(17) 0.0199(13) Uani 1 1 d . . . Y 23
H491_23 H -0.011482 -0.554986 0.123626 0.024 Uiso 1 1 calc R U . Y 23
H490_23 H 0.018171 -0.575862 0.142491 0.024 Uiso 1 1 calc R U . Y 23
C490_23 C 0.0351(2) -0.51428(19) 0.1580(2) 0.0289(15) Uani 1 1 d . . . Y 23
H494_23 H 0.051358 -0.512151 0.136761 0.043 Uiso 1 1 d . U . C 23
H493_23 H 0.051683 -0.513343 0.181144 0.043 Uiso 1 1 d . U . D 23
H492_23 H 0.021831 -0.492320 0.162763 0.043 Uiso 1 1 d . U . E 23
C491_23 C 0.10999(19) -0.58323(19) 0.24110(18) 0.0247(14) Uani 1 1 d . . . Y 23
H496_23 H 0.098417 -0.596835 0.214734 0.030 Uiso 1 1 calc R U . Y 23
H495_23 H 0.128515 -0.598242 0.249026 0.030 Uiso 1 1 calc R U . Y 23
C492_23 C 0.1324(2) -0.5418(2) 0.2407(2) 0.0368(18) Uani 1 1 d . . . Y 23
H499_23 H 0.151939 -0.543558 0.222189 0.055 Uiso 1 1 d . U . F 23
H498_23 H 0.145443 -0.528725 0.266301 0.055 Uiso 1 1 d . U . G 23
H497_23 H 0.114218 -0.526596 0.233263 0.055 Uiso 1 1 d . U . H 23
C493_23 C 0.11402(18) -0.58905(19) 0.33029(18) 0.0246(14) Uani 1 1 d . . . Y 23
H501_23 H 0.132892 -0.600141 0.314124 0.030 Uiso 1 1 calc R U . Y 23
H500_23 H 0.104965 -0.607225 0.347053 0.030 Uiso 1 1 calc R U . Y 23
C494_23 C 0.13447(19) -0.5489(2) 0.3551(2) 0.0322(17) Uani 1 1 d . . . Y 23
H504_23 H 0.156943 -0.551832 0.370635 0.048 Uiso 1 1 d . U . I 23
H503_23 H 0.116232 -0.538384 0.372051 0.048 Uiso 1 1 d . U . J 23
H502_23 H 0.143354 -0.530807 0.338651 0.048 Uiso 1 1 d . U . K 23
C495_23 C 0.01494(18) -0.59143(17) 0.43657(17) 0.0213(13) Uani 1 1 d . . . Y 23
H506_23 H 0.033630 -0.607220 0.425840 0.026 Uiso 1 1 calc R U . Y 23
H505_23 H 0.000539 -0.604922 0.454789 0.026 Uiso 1 1 calc R U . Y 23
C496_23 C 0.0374(2) -0.55078(19) 0.45805(19) 0.0275(15) Uani 1 1 d . . . Y 23
H509_23 H 0.055456 -0.553398 0.478622 0.041 Uiso 1 1 d . U . L 23
H508_23 H 0.019143 -0.535117 0.469214 0.041 Uiso 1 1 d . U . M 23
H507_23 H 0.052282 -0.537476 0.440320 0.041 Uiso 1 1 d . U . N 23
C497_23 C -0.07590(18) -0.58710(18) 0.43918(16) 0.0202(13) Uani 1 1 d . . . Y
23
H511_23 H -0.065285 -0.600846 0.457166 0.024 Uiso 1 1 calc R U . Y 23
H510_23 H -0.102923 -0.601779 0.429802 0.024 Uiso 1 1 calc R U . Y 23
C498_23 C -0.0768(2) -0.54495(18) 0.46095(18) 0.0260(15) Uani 1 1 d . . . Y 23
H514_23 H -0.092126 -0.546274 0.482899 0.039 Uiso 1 1 d . U . O 23
H513_23 H -0.088707 -0.531687 0.443692 0.039 Uiso 1 1 d . U . P 23
H512_23 H -0.050100 -0.530096 0.470039 0.039 Uiso 1 1 d . U . Q 23
C499_23 C -0.18071(18) -0.55810(18) 0.34581(18) 0.0239(14) Uani 1 1 d . . . Y
23
H516_23 H -0.182457 -0.579233 0.360119 0.029 Uiso 1 1 calc R U . Y 23
H515_23 H -0.206728 -0.560892 0.332345 0.029 Uiso 1 1 calc R U . Y 23
C500_23 C -0.1690(2) -0.51775(19) 0.3740(2) 0.0343(17) Uani 1 1 d . . . Y 23
H519_23 H -0.188911 -0.514965 0.391874 0.051 Uiso 1 1 d . U . R 23
H518_23 H -0.166470 -0.496826 0.359766 0.051 Uiso 1 1 d . U . S 23
H517_23 H -0.143871 -0.515611 0.388378 0.051 Uiso 1 1 d . U . T 23
C501_23 C -0.18480(19) -0.54506(19) 0.25952(19) 0.0271(15) Uani 1 1 d . . . Y
23
H521_23 H -0.210278 -0.556124 0.267869 0.033 Uiso 1 1 calc R U . Y 23
H520_23 H -0.185218 -0.556427 0.231737 0.033 Uiso 1 1 calc R U . Y 23
C502_23 C -0.1789(3) -0.5001(2) 0.2664(2) 0.047(2) Uani 1 1 d . . . Y 23
H524_23 H -0.200206 -0.493669 0.252106 0.070 Uiso 1 1 d . U . U 23
H523_23 H -0.153968 -0.489184 0.257753 0.070 Uiso 1 1 d . U . V 23
H522_23 H -0.178968 -0.488924 0.293879 0.070 Uiso 1 1 d . U . W 23
C503 C 0.5290(2) 1.6550(2) 1.17943(19) 0.0326(17) Uani 1 1 d . . . . .
C504 C 0.5672(2) 1.6639(2) 1.1968(2) 0.0387(18) Uani 1 1 d . . . . .
H50A H 0.584440 1.687678 1.195014 0.046 Uiso 1 1 calc R U . . .
C505 C 0.5805(2) 1.6387(2) 1.2166(2) 0.0350(17) Uani 1 1 d . . . . .
H50B H 0.606687 1.645715 1.228034 0.042 Uiso 1 1 calc R U . . .
C506 C 0.5565(2) 1.6036(2) 1.22015(19) 0.0316(16) Uani 1 1 d . . . . .
C507 C 0.5705(2) 1.5774(2) 1.2424(2) 0.0380(18) Uani 1 1 d . . . . .
H50C H 0.555993 1.550163 1.232307 0.057 Uiso 1 1 d . U . . .
H50D H 0.566302 1.585893 1.269434 0.057 Uiso 1 1 d . U . . .
H50E H 0.598369 1.578955 1.240083 0.057 Uiso 1 1 d . U . . .
C508 C 0.5185(2) 1.5947(2) 1.2025(2) 0.0362(18) Uani 1 1 d . . . . .
H50F H 0.501363 1.570665 1.203792 0.043 Uiso 1 1 calc R U . . .
C509 C 0.5050(2) 1.6199(2) 1.1831(2) 0.0366(18) Uani 1 1 d . . . . .
H50G H 0.478781 1.613034 1.171955 0.044 Uiso 1 1 calc R U . . .
C510 C 0.5147(2) 1.6816(2) 1.1577(2) 0.0344(17) Uani 1 1 d . . . . .
H51A H 0.532089 1.707856 1.164873 0.052 Uiso 1 1 d . U . . .
H51B H 0.488259 1.683518 1.163761 0.052 Uiso 1 1 d . U . . .
H51C H 0.514512 1.670842 1.130099 0.052 Uiso 1 1 d . U . . .
C511 C 0.1008(2) 0.3967(2) 0.1034(2) 0.0350(17) Uani 1 1 d . . . . .
C512 C 0.1402(2) 0.4039(2) 0.1167(2) 0.0406(19) Uani 1 1 d . . . . .
H51D H 0.157655 0.426210 0.111885 0.049 Uiso 1 1 calc R U . . .
C513 C 0.15450(19) 0.3799(2) 0.1364(2) 0.0350(18) Uani 1 1 d . . . . .
H51E H 0.181571 0.385623 0.144579 0.042 Uiso 1 1 calc R U . . .
C514 C 0.1296(2) 0.3468(2) 0.14483(19) 0.0342(17) Uani 1 1 d . . . . .
C515 C 0.1453(2) 0.3213(2) 0.1673(2) 0.0399(19) Uani 1 1 d . . . . .
H51F H 0.172978 0.322894 0.163818 0.060 Uiso 1 1 d . U . . .
H51G H 0.130802 0.293899 0.158238 0.060 Uiso 1 1 d . U . . .
H51H H 0.142317 0.330435 0.194578 0.060 Uiso 1 1 d . U . . .
C516 C 0.0907(2) 0.3395(2) 0.1321(2) 0.0403(19) Uani 1 1 d . . . . .
H51I H 0.073252 0.317510 0.137376 0.048 Uiso 1 1 calc R U . . .
C517 C 0.0760(2) 0.3637(2) 0.1117(2) 0.042(2) Uani 1 1 d . . . . .
H51J H 0.049011 0.357675 0.103208 0.050 Uiso 1 1 calc R U . . .
C518 C 0.0856(2) 0.4221(2) 0.0808(2) 0.0415(19) Uani 1 1 d . . . . .
H51K H 0.101084 0.449255 0.088939 0.062 Uiso 1 1 d . U . . .
H51L H 0.058242 0.421893 0.085268 0.062 Uiso 1 1 d . U . . .
H51M H 0.087335 0.412070 0.053466 0.062 Uiso 1 1 d . U . . .
C519 C 0.5277(2) 0.5696(3) 0.8548(2) 0.043(2) Uani 1 1 d . . . . .
C520 C 0.5136(2) 0.5941(3) 0.8838(2) 0.044(2) Uani 1 1 d . . . . .
H52A H 0.493347 0.583121 0.897488 0.053 Uiso 1 1 calc R U . . .
C521 C 0.5287(2) 0.6341(3) 0.8931(2) 0.048(2) Uani 1 1 d . . . . .
H52B H 0.518379 0.650208 0.912898 0.058 Uiso 1 1 calc R U . . .
C522 C 0.5589(2) 0.6518(3) 0.8740(2) 0.0393(19) Uani 1 1 d . . . . .
C523 C 0.5740(2) 0.6956(3) 0.8829(2) 0.051(2) Uani 1 1 d . . . . .
H52C H 0.575538 0.706165 0.910567 0.077 Uiso 1 1 d . U . . .
H52D H 0.556208 0.707619 0.869703 0.077 Uiso 1 1 d . U . . .
H52E H 0.599944 0.701667 0.873977 0.077 Uiso 1 1 d . U . . .
C524 C 0.5728(2) 0.6275(3) 0.8453(2) 0.044(2) Uani 1 1 d . . . . .
H52F H 0.593278 0.638532 0.831793 0.053 Uiso 1 1 calc R U . . .
C525 C 0.5572(2) 0.5864(3) 0.8355(2) 0.042(2) Uani 1 1 d . . . . .
H52G H 0.567090 0.570184 0.815428 0.051 Uiso 1 1 calc R U . . .
C526 C 0.5104(3) 0.5255(3) 0.8433(3) 0.064(3) Uani 1 1 d . . . . .
H52H H 0.529370 0.512006 0.830260 0.096 Uiso 1 1 d . U . . .
H52I H 0.486624 0.520495 0.825921 0.096 Uiso 1 1 d . U . . .
H52J H 0.504070 0.515586 0.866236 0.096 Uiso 1 1 d . U . . .
C527 C 0.1953(2) 0.6491(2) 0.51299(19) 0.0343(17) Uani 1 1 d . . . . .
C528 C 0.2347(2) 0.6566(2) 0.5267(2) 0.0402(19) Uani 1 1 d . . . . .
H52K H 0.251973 0.679419 0.522737 0.048 Uiso 1 1 calc R U . . .
C529 C 0.2491(2) 0.6317(2) 0.5457(2) 0.0399(19) Uani 1 1 d . . . . .
H52L H 0.276029 0.637699 0.554465 0.048 Uiso 1 1 calc R U . . .
C530 C 0.2248(2) 0.5981(2) 0.5522(2) 0.0376(18) Uani 1 1 d . . . . .
C531 C 0.2401(2) 0.5716(2) 0.5740(2) 0.0417(19) Uani 1 1 d . . . . .
H53A H 0.267968 0.573527 0.570987 0.063 Uiso 1 1 d . U . . .
H53B H 0.225845 0.544296 0.564024 0.063 Uiso 1 1 d . U . . .
H53C H 0.236642 0.579826 0.601302 0.063 Uiso 1 1 d . U . . .
C532 C 0.1857(2) 0.5901(2) 0.5385(2) 0.0409(19) Uani 1 1 d . . . . .
H53D H 0.168549 0.567111 0.542236 0.049 Uiso 1 1 calc R U . . .
C533 C 0.1714(2) 0.6152(2) 0.5195(2) 0.044(2) Uani 1 1 d . . . . .
H53E H 0.144420 0.609034 0.510734 0.052 Uiso 1 1 calc R U . . .
C534 C 0.1797(2) 0.6757(2) 0.4923(2) 0.0404(19) Uani 1 1 d . . . . .
H53F H 0.196220 0.702305 0.500058 0.061 Uiso 1 1 d . U . . .
H53G H 0.153018 0.676332 0.498500 0.061 Uiso 1 1 d . U . . .
H53H H 0.179646 0.665755 0.464560 0.061 Uiso 1 1 d . U . . .
C535 C 0.7583(2) 1.3279(3) 1.1172(3) 0.046(2) Uani 1 1 d . . . . .
C536 C 0.7434(2) 1.3483(3) 1.1478(2) 0.054(3) Uani 1 1 d . . . . .
H53I H 0.724601 1.334401 1.160920 0.065 Uiso 1 1 calc R U . . .
C537 C 0.7556(2) 1.3896(3) 1.1601(2) 0.049(2) Uani 1 1 d . . . . .
H53J H 0.744920 1.403074 1.181441 0.059 Uiso 1 1 calc R U . . .
C538 C 0.7826(2) 1.4108(3) 1.1416(2) 0.043(2) Uani 1 1 d . . . . .
C539 C 0.7943(3) 1.4551(3) 1.1530(2) 0.050(2) Uani 1 1 d . . . . .
H53K H 0.822316 1.463583 1.150998 0.076 Uiso 1 1 d . U . . .
H53L H 0.788733 1.464115 1.179516 0.076 Uiso 1 1 d . U . . .
H53M H 0.779600 1.466271 1.135948 0.076 Uiso 1 1 d . U . . .
C540 C 0.7974(2) 1.3896(3) 1.1104(2) 0.0394(19) Uani 1 1 d . . . . .
H54A H 0.815874 1.403556 1.096915 0.047 Uiso 1 1 calc R U . . .
C541 C 0.7859(2) 1.3488(3) 1.0985(2) 0.043(2) Uani 1 1 d . . . . .
H54B H 0.796953 1.335192 1.077481 0.052 Uiso 1 1 calc R U . . .
C542 C 0.7448(3) 1.2836(3) 1.1033(3) 0.063(3) Uani 1 1 d . . . . .
H54C H 0.766120 1.270828 1.108292 0.095 Uiso 1 1 d . U . . .
H54D H 0.736804 1.276852 1.075626 0.095 Uiso 1 1 d . U . . .
H54E H 0.722536 1.274011 1.116841 0.095 Uiso 1 1 d . U . . .
C543 C 0.3173(2) 0.8437(2) 0.97360(19) 0.0326(17) Uani 1 1 d . . . . .
C544 C 0.3130(2) 0.8785(2) 0.9981(2) 0.0368(18) Uani 1 1 d . . . . .
H54F H 0.323759 0.884605 1.024017 0.044 Uiso 1 1 calc R U . . .
C545 C 0.2937(2) 0.9043(2) 0.9858(2) 0.0375(18) Uani 1 1 d . . . . .
H54G H 0.291989 0.927853 1.003307 0.045 Uiso 1 1 calc R U . . .
C546 C 0.2765(2) 0.8967(2) 0.9482(2) 0.0330(17) Uani 1 1 d . . . . .
C547 C 0.2546(2) 0.9243(2) 0.9346(2) 0.0367(18) Uani 1 1 d . . . . .
H54H H 0.255538 0.921336 0.906933 0.055 Uiso 1 1 d . U . . .
H54I H 0.266649 0.951569 0.947859 0.055 Uiso 1 1 d . U . . .
H54J H 0.227383 0.917931 0.940360 0.055 Uiso 1 1 d . U . . .
C548 C 0.2805(2) 0.8616(2) 0.9233(2) 0.0374(18) Uani 1 1 d . . . . .
H54K H 0.269484 0.855352 0.897360 0.045 Uiso 1 1 calc R U . . .
C549 C 0.3003(2) 0.8362(2) 0.9361(2) 0.0377(18) Uani 1 1 d . . . . .
H54L H 0.302264 0.812702 0.918650 0.045 Uiso 1 1 calc R U . . .
C550 C 0.3394(2) 0.8168(2) 0.9868(2) 0.0386(18) Uani 1 1 d . . . . .
H55A H 0.336436 0.817683 1.014043 0.058 Uiso 1 1 d . U . . .
H55B H 0.367036 0.824960 0.983339 0.058 Uiso 1 1 d . U . . .
H55C H 0.329132 0.789703 0.971841 0.058 Uiso 1 1 d . U . . .
C551 C 0.4296(2) 0.3204(3) 0.4527(3) 0.049(2) Uani 1 1 d . . . . .
C552 C 0.4161(2) 0.3444(3) 0.4820(2) 0.052(2) Uani 1 1 d . . . . .
H55D H 0.396538 0.333117 0.496184 0.062 Uiso 1 1 calc R U . . .
C553 C 0.4306(2) 0.3847(3) 0.4913(2) 0.044(2) Uani 1 1 d . . . . .
H55E H 0.420665 0.400466 0.511739 0.053 Uiso 1 1 calc R U . . .
C554 C 0.4595(2) 0.4031(3) 0.4716(2) 0.047(2) Uani 1 1 d . . . . .
C555 C 0.4745(3) 0.4469(3) 0.4807(3) 0.063(3) Uani 1 1 d . . . . .
H55F H 0.473917 0.457615 0.508092 0.094 Uiso 1 1 d . U . . .
H55G H 0.458023 0.458712 0.465833 0.094 Uiso 1 1 d . U . . .
H55H H 0.501351 0.452912 0.473855 0.094 Uiso 1 1 d . U . . .
C556 C 0.4731(2) 0.3783(3) 0.4423(2) 0.051(2) Uani 1 1 d . . . . .
H55I H 0.493251 0.389450 0.428542 0.061 Uiso 1 1 calc R U . . .
C557 C 0.4585(2) 0.3384(3) 0.4326(2) 0.050(2) Uani 1 1 d . . . . .
H55J H 0.468011 0.322634 0.411838 0.060 Uiso 1 1 calc R U . . .
C558 C 0.4128(3) 0.2767(3) 0.4414(3) 0.070(3) Uani 1 1 d . . . . .
H55K H 0.433411 0.262792 0.433257 0.105 Uiso 1 1 d . U . . .
H55L H 0.392222 0.270834 0.420232 0.105 Uiso 1 1 d . U . . .
H55M H 0.401709 0.267659 0.463420 0.105 Uiso 1 1 d . U . . .
C559 C 0.6415(2) 0.8528(2) 0.6340(2) 0.0350(17) Uani 1 1 d . . . . .
C560 C 0.6389(2) 0.8883(2) 0.6583(2) 0.044(2) Uani 1 1 d . . . . .
H56A H 0.649367 0.894075 0.684296 0.052 Uiso 1 1 calc R U . . .
C561 C 0.6215(2) 0.9155(2) 0.6454(2) 0.0401(19) Uani 1 1 d . . . . .
H56B H 0.620716 0.939655 0.662535 0.048 Uiso 1 1 calc R U . . .
C562 C 0.6050(2) 0.9074(2) 0.6073(2) 0.0399(19) Uani 1 1 d . . . . .
C563 C 0.6073(2) 0.8720(2) 0.5832(2) 0.044(2) Uani 1 1 d . . . . .
H56C H 0.596340 0.865838 0.557319 0.053 Uiso 1 1 calc R U . . .
C564 C 0.5856(2) 0.9369(3) 0.5936(2) 0.0415(19) Uani 1 1 d . . . . .
H56D H 0.598985 0.963659 0.607066 0.062 Uiso 1 1 d . U . . .
H56E H 0.558221 0.932110 0.599051 0.062 Uiso 1 1 d . U . . .
H56F H 0.587018 0.933895 0.565964 0.062 Uiso 1 1 d . U . . .
C565 C 0.6252(2) 0.8455(3) 0.5962(2) 0.045(2) Uani 1 1 d . . . . .
H56G H 0.626505 0.821553 0.578894 0.054 Uiso 1 1 calc R U . . .
C566 C 0.6619(2) 0.8243(2) 0.6476(2) 0.0417(19) Uani 1 1 d . . . . .
H56H H 0.659922 0.826664 0.675102 0.063 Uiso 1 1 d . U . . .
H56I H 0.689472 0.830308 0.642850 0.063 Uiso 1 1 d . U . . .
H56J H 0.649661 0.797361 0.633619 0.063 Uiso 1 1 d . U . . .
C567 C 0.2898(2) -0.1172(3) 0.6259(2) 0.045(2) Uani 1 1 d . . . . .
C568 C 0.3104(2) -0.1294(3) 0.5956(2) 0.044(2) Uani 1 1 d . . . . .
H56K H 0.331099 -0.111266 0.588648 0.053 Uiso 1 1 calc R U . . .
C569 C 0.3005(2) -0.1685(3) 0.5751(2) 0.046(2) Uani 1 1 d . . . . .
H56L H 0.314438 -0.176801 0.554019 0.055 Uiso 1 1 calc R U . . .
C570 C 0.2706(2) -0.1958(2) 0.5850(2) 0.0393(19) Uani 1 1 d . . . . .
C571 C 0.2591(3) -0.2381(3) 0.5624(3) 0.064(3) Uani 1 1 d . . . . .
H57A H 0.264977 -0.239686 0.535749 0.096 Uiso 1 1 d . U . . .
H57B H 0.231026 -0.248373 0.562905 0.096 Uiso 1 1 d . U . . .
H57C H 0.273670 -0.254392 0.573839 0.096 Uiso 1 1 d . U . . .
C572 C 0.2503(3) -0.1831(3) 0.6151(2) 0.051(2) Uani 1 1 d . . . . .
H57D H 0.229441 -0.201106 0.621992 0.062 Uiso 1 1 calc R U . . .
C573 C 0.2599(2) -0.1443(3) 0.6353(2) 0.046(2) Uani 1 1 d . . . . .
H57E H 0.245609 -0.135993 0.656166 0.055 Uiso 1 1 calc R U . . .
C574 C 0.2999(3) -0.0747(3) 0.6475(3) 0.073(3) Uani 1 1 d . . . . .
H57F H 0.324424 -0.069483 0.663821 0.110 Uiso 1 1 d . U . . .
H57G H 0.279025 -0.069024 0.663454 0.110 Uiso 1 1 d . U . . .
H57H H 0.302943 -0.057530 0.629162 0.110 Uiso 1 1 d . U . . .
C575 C 0.1748(2) -0.4499(3) 0.1706(2) 0.045(2) Uani 1 1 d . . . . .
C576 C 0.1628(3) -0.4313(3) 0.2037(2) 0.051(2) Uani 1 1 d . . . . .
H57I H 0.142927 -0.445777 0.215427 0.061 Uiso 1 1 calc R U . . .
C577 C 0.1785(2) -0.3919(3) 0.2209(2) 0.0381(19) Uani 1 1 d . . . . .
H57J H 0.169659 -0.379919 0.244115 0.046 Uiso 1 1 calc R U . . .
C578 C 0.2071(2) -0.3703(3) 0.2040(2) 0.043(2) Uani 1 1 d . . . . .
C579 C 0.2231(3) -0.3266(3) 0.2218(3) 0.064(3) Uani 1 1 d . . . . .
H57K H 0.205160 -0.316664 0.239515 0.096 Uiso 1 1 d . U . . .
H57L H 0.225802 -0.311809 0.201495 0.096 Uiso 1 1 d . U . . .
H57M H 0.248695 -0.322930 0.235823 0.096 Uiso 1 1 d . U . . .
C580 C 0.2196(2) -0.3888(3) 0.1707(2) 0.049(2) Uani 1 1 d . . . . .
H58A H 0.239819 -0.374481 0.159275 0.059 Uiso 1 1 calc R U . . .
C581 C 0.2036(2) -0.4276(3) 0.1536(2) 0.051(2) Uani 1 1 d . . . . .
H58B H 0.212178 -0.439461 0.130102 0.062 Uiso 1 1 calc R U . . .
C582 C 0.1562(3) -0.4920(3) 0.1514(3) 0.070(3) Uani 1 1 d . . . . .
H58C H 0.155013 -0.495316 0.123543 0.105 Uiso 1 1 d . U . . .
H58D H 0.129564 -0.498627 0.158975 0.105 Uiso 1 1 d . U . . .
H58E H 0.171468 -0.509565 0.159310 0.105 Uiso 1 1 d . U . . .
C583 C -0.0170(2) -0.1525(2) 0.3069(2) 0.0360(18) Uani 1 1 d . . . . .
C584 C -0.0239(2) -0.1189(2) 0.3312(2) 0.0379(18) Uani 1 1 d . . . . .
H58F H -0.015235 -0.113430 0.357734 0.045 Uiso 1 1 calc R U . . .
C585 C -0.0430(2) -0.0934(2) 0.3179(2) 0.0410(19) Uani 1 1 d . . . . .
H58G H -0.046867 -0.070565 0.335175 0.049 Uiso 1 1 calc R U . . .
C586 C -0.0568(2) -0.1009(2) 0.2788(2) 0.0348(17) Uani 1 1 d . . . . .
C587 C -0.0785(2) -0.0743(3) 0.2639(2) 0.0418(19) Uani 1 1 d . . . . .
H58H H -0.067278 -0.046805 0.277149 0.063 Uiso 1 1 d . U . . .
H58I H -0.106032 -0.081140 0.268487 0.063 Uiso 1 1 d . U . . .
H58J H -0.076432 -0.077346 0.236298 0.063 Uiso 1 1 d . U . . .
C588 C -0.0498(2) -0.1343(2) 0.2547(2) 0.0410(19) Uani 1 1 d . . . . .
H58K H -0.058507 -0.140014 0.228148 0.049 Uiso 1 1 calc R U . . .
C589 C -0.0305(2) -0.1594(3) 0.2682(2) 0.046(2) Uani 1 1 d . . . . .
H58L H -0.026211 -0.181953 0.250772 0.055 Uiso 1 1 calc R U . . .
C590 C 0.0049(2) -0.1792(2) 0.3218(2) 0.0407(19) Uani 1 1 d . . . . .
H59A H -0.003183 -0.205974 0.305618 0.061 Uiso 1 1 d . U . . .
H59B H -0.000719 -0.179644 0.348215 0.061 Uiso 1 1 d . U . . .
H59C H 0.032988 -0.169472 0.321203 0.061 Uiso 1 1 d . U . . .
C591 C 0.0472(2) -0.8515(3) 0.3810(2) 0.050(2) Uani 1 1 d . . . . .
C592 C 0.0633(3) -0.8760(4) 0.3532(3) 0.068(3) Uani 1 1 d . . . . .
H59D H 0.084628 -0.864427 0.341021 0.081 Uiso 1 1 calc R U . . .
C593 C 0.0492(3) -0.9162(4) 0.3430(3) 0.070(3) Uani 1 1 d . . . . .
H59E H 0.061457 -0.932050 0.324716 0.084 Uiso 1 1 calc R U . . .
C594 C 0.0176(3) -0.9336(3) 0.3590(2) 0.055(2) Uani 1 1 d . . . . .
C595 C 0.0006(3) -0.9777(3) 0.3477(3) 0.075(3) Uani 1 1 d . . . . .
H59F H -0.021726 -0.984220 0.362261 0.113 Uiso 1 1 calc R U . . .
H59G H -0.008048 -0.985433 0.320183 0.113 Uiso 1 1 calc R U . . .
H59H H 0.020511 -0.991841 0.353265 0.113 Uiso 1 1 calc R U . . .
C596 C 0.0012(2) -0.9099(3) 0.3871(2) 0.044(2) Uani 1 1 d . . . . .
H59I H -0.020267 -0.921677 0.398919 0.053 Uiso 1 1 calc R U . . .
C597 C 0.0157(2) -0.8698(3) 0.3977(2) 0.043(2) Uani 1 1 d . . . . .
H59J H 0.004041 -0.854279 0.416883 0.052 Uiso 1 1 calc R U . . .
C598 C 0.0613(3) -0.8075(3) 0.3910(3) 0.067(3) Uani 1 1 d . . . . .
H59K H 0.069551 -0.798364 0.418497 0.100 Uiso 1 1 d . U . . .
H59L H 0.040208 -0.795101 0.384388 0.100 Uiso 1 1 d . U . . .
H59M H 0.083495 -0.800006 0.376469 0.100 Uiso 1 1 d . U . . .
C599 C 0.6511(2) 1.9321(3) 0.9697(2) 0.042(2) Uani 1 1 d . . . . .
C600 C 0.6708(2) 1.9133(3) 0.9412(2) 0.045(2) Uani 1 1 d . . . . .
H60A H 0.691727 1.928380 0.931131 0.054 Uiso 1 1 calc R U . . .
C601 C 0.6599(2) 1.8721(3) 0.9271(2) 0.041(2) Uani 1 1 d . . . . .
H60B H 0.673537 1.859593 0.907705 0.050 Uiso 1 1 calc R U . . .
C602 C 0.6294(2) 1.8497(3) 0.9413(2) 0.043(2) Uani 1 1 d . . . . .
C603 C 0.6194(3) 1.8055(3) 0.9275(2) 0.052(2) Uani 1 1 d . . . . .
H60C H 0.625266 1.798432 0.900726 0.078 Uiso 1 1 d . U . . .
H60D H 0.591572 1.795541 0.929068 0.078 Uiso 1 1 d . U . . .
H60E H 0.634846 1.793845 0.943415 0.078 Uiso 1 1 d . U . . .
C604 C 0.6106(2) 1.8691(3) 0.9695(2) 0.048(2) Uani 1 1 d . . . . .
H60F H 0.589949 1.854155 0.979873 0.058 Uiso 1 1 calc R U . . .
C605 C 0.6206(2) 1.9096(3) 0.9835(2) 0.045(2) Uani 1 1 d . . . . .
H60G H 0.606546 1.921969 1.002656 0.055 Uiso 1 1 calc R U . . .
C606 C 0.6640(3) 1.9762(3) 0.9847(3) 0.062(3) Uani 1 1 d . . . . .
H60H H 0.685764 1.986506 0.971047 0.093 Uiso 1 1 d . U . . .
H60I H 0.672330 1.981983 1.012171 0.093 Uiso 1 1 d . U . . .
H60J H 0.642174 1.988559 0.980573 0.093 Uiso 1 1 d . U . . .
C607 C 0.2914(2) 0.8332(2) 0.2797(2) 0.0324(16) Uani 1 1 d . . . . .
C608 C 0.2731(2) 0.8535(3) 0.3084(2) 0.0409(19) Uani 1 1 d . . . . .
H60K H 0.252430 0.839497 0.319551 0.049 Uiso 1 1 calc R U . . .
C609 C 0.2851(2) 0.8944(2) 0.3208(2) 0.0369(18) Uani 1 1 d . . . . .
H60L H 0.271597 0.907787 0.339792 0.044 Uiso 1 1 calc R U . . .
C610 C 0.3157(2) 0.9161(2) 0.3065(2) 0.0381(18) Uani 1 1 d . . . . .
C611 C 0.3296(3) 0.9595(2) 0.3213(2) 0.048(2) Uani 1 1 d . . . . .
H61A H 0.328319 0.966352 0.349075 0.072 Uiso 1 1 d . U . . .
H61B H 0.313220 0.973355 0.308807 0.072 Uiso 1 1 d . U . . .
H61C H 0.356756 0.967624 0.315650 0.072 Uiso 1 1 d . U . . .
C612 C 0.3338(2) 0.8958(2) 0.2776(2) 0.0329(17) Uani 1 1 d . . . . .
H61D H 0.354615 0.909826 0.266616 0.039 Uiso 1 1 calc R U . . .
C613 C 0.3217(2) 0.8552(2) 0.2646(2) 0.0353(17) Uani 1 1 d . . . . .
H61E H 0.334484 0.842035 0.244739 0.042 Uiso 1 1 calc R U . . .
C614 C 0.2809(2) 0.7883(2) 0.2664(2) 0.0412(19) Uani 1 1 d . . . . .
H61F H 0.253890 0.778358 0.271041 0.062 Uiso 1 1 d . U . . .
H61G H 0.298406 0.777003 0.280713 0.062 Uiso 1 1 d . U . . .
H61H H 0.283774 0.780657 0.238929 0.062 Uiso 1 1 d . U . . .
C615 C -0.1251(2) -0.3891(4) 0.2097(2) 0.063(3) Uani 1 1 d . . . . .
C616 C -0.1353(2) -0.3629(3) 0.2400(2) 0.056(3) Uani 1 1 d . . . . .
H61I H -0.155933 -0.372078 0.254268 0.067 Uiso 1 1 calc R U . . .
C617 C -0.1160(3) -0.3238(3) 0.2498(3) 0.065(3) Uani 1 1 d . . . . .
H61J H -0.123228 -0.306513 0.270965 0.079 Uiso 1 1 calc R U . . .
C618 C -0.0866(3) -0.3092(3) 0.2297(3) 0.058(3) Uani 1 1 d . . . . .
C619 C -0.0657(4) -0.2670(4) 0.2410(4) 0.090(4) Uani 1 1 d . . . . .
H61K H -0.038403 -0.264577 0.235474 0.135 Uiso 1 1 d . U . . .
H61L H -0.066819 -0.256779 0.268415 0.135 Uiso 1 1 d . U . . .
H61M H -0.078172 -0.251649 0.226300 0.135 Uiso 1 1 d . U . . .
C620 C -0.0765(3) -0.3357(3) 0.1993(3) 0.060(3) Uani 1 1 d . . . . .
H62A H -0.055756 -0.326461 0.185192 0.072 Uiso 1 1 calc R U . . .
C621 C -0.0955(2) -0.3750(3) 0.1889(2) 0.056(3) Uani 1 1 d . . . . .
H62B H -0.088288 -0.392166 0.167666 0.067 Uiso 1 1 calc R U . . .
C622 C -0.1452(3) -0.4331(4) 0.1995(3) 0.090(4) Uani 1 1 d . . . . .
H62C H -0.150860 -0.442372 0.171574 0.135 Uiso 1 1 d . U . . .
H62D H -0.169494 -0.437278 0.211690 0.135 Uiso 1 1 d . U . . .
H62E H -0.127758 -0.448412 0.208646 0.135 Uiso 1 1 d . U . . .
C623 C 0.3813(2) 1.1705(2) 0.7384(2) 0.044(2) Uani 1 1 d D . . . .
C624 C 0.3995(2) 1.1485(2) 0.7103(2) 0.0389(18) Uani 1 1 d D . . . .
H62F H 0.419972 1.161428 0.698101 0.047 Uiso 1 1 calc R U . . .
C625 C 0.3875(2) 1.1078(2) 0.7004(2) 0.0394(19) Uani 1 1 d D . . . .
H62G H 0.400687 1.093256 0.681898 0.047 Uiso 1 1 calc R U . . .
C626 C 0.3574(2) 1.0876(2) 0.7161(2) 0.0370(18) Uani 1 1 d D . . . .
C627 C 0.3458(2) 1.0428(2) 0.7059(3) 0.052(2) Uani 1 1 d D . . . .
H62H H 0.319607 1.034112 0.713557 0.077 Uiso 1 1 d . U . . .
H62I H 0.364457 1.032034 0.719308 0.077 Uiso 1 1 d . U . . .
H62J H 0.345601 1.033067 0.678105 0.077 Uiso 1 1 d . U . . .
C628 C 0.3394(2) 1.1096(3) 0.7438(2) 0.048(2) Uani 1 1 d D . . . .
H62K H 0.318633 1.096400 0.755423 0.058 Uiso 1 1 calc R U . . .
C629 C 0.3511(2) 1.1503(3) 0.7548(2) 0.044(2) Uani 1 1 d D . . . .
H62L H 0.338192 1.164567 0.773845 0.053 Uiso 1 1 calc R U . . .
C630 C 0.3950(3) 1.2143(3) 0.7505(3) 0.064(3) Uani 1 1 d D . . . .
H63A H 0.415182 1.223368 0.734381 0.095 Uiso 1 1 d . U . . .
H63B H 0.406165 1.221798 0.777411 0.095 Uiso 1 1 d . U . . .
H63C H 0.373123 1.226990 0.747836 0.095 Uiso 1 1 d . U . . .
C631 C 0.1173(2) 0.3418(3) 0.4462(2) 0.045(2) Uani 1 1 d . . . . .
C632 C 0.1013(2) 0.3626(3) 0.4767(2) 0.042(2) Uani 1 1 d . . . . .
H63D H 0.081688 0.348635 0.489052 0.050 Uiso 1 1 calc R U . . .
C633 C 0.1135(2) 0.4031(3) 0.4892(2) 0.045(2) Uani 1 1 d . . . . .
H63E H 0.102240 0.416483 0.510218 0.054 Uiso 1 1 calc R U . . .
C634 C 0.1421(2) 0.4247(3) 0.4716(3) 0.049(2) Uani 1 1 d . . . . .
C635 C 0.1556(3) 0.4685(3) 0.4859(3) 0.074(3) Uani 1 1 d . . . . .
H63F H 0.134308 0.481439 0.481485 0.111 Uiso 1 1 d . U . . .
H63G H 0.177727 0.478265 0.472237 0.111 Uiso 1 1 d . U . . .
H63H H 0.163946 0.474748 0.513479 0.111 Uiso 1 1 d . U . . .
C636 C 0.1574(3) 0.4040(4) 0.4409(3) 0.062(3) Uani 1 1 d . . . . .
H63I H 0.176671 0.417778 0.428065 0.074 Uiso 1 1 calc R U . . .
C637 C 0.1452(2) 0.3636(3) 0.4289(2) 0.057(3) Uani 1 1 d . . . . .
H63J H 0.156475 0.350307 0.407934 0.068 Uiso 1 1 calc R U . . .
C638 C 0.1059(3) 0.2980(3) 0.4341(2) 0.059(3) Uani 1 1 d . . . . .
H63K H 0.077436 0.289473 0.429562 0.089 Uiso 1 1 d . U . . .
H63L H 0.115347 0.286385 0.454250 0.089 Uiso 1 1 d . U . . .
H63M H 0.117497 0.288986 0.410360 0.089 Uiso 1 1 d . U . . .
C639 C 0.0311(3) 0.1019(3) 0.0399(3) 0.066(3) Uiso 1 1 d D . . . .
C640 C 0.0101(3) 0.1192(3) 0.0687(2) 0.055(2) Uiso 1 1 d D . . . .
H640 H -0.010789 0.103455 0.078027 0.066 Uiso 1 1 calc R U . . .
C641 C 0.0203(3) 0.1594(2) 0.0830(3) 0.055(2) Uiso 1 1 d D . . . .
H641 H 0.006576 0.170648 0.103154 0.066 Uiso 1 1 calc R U . . .
C642 C 0.0495(3) 0.1843(3) 0.0698(3) 0.068(3) Uiso 1 1 d D . . . .
C643 C 0.0609(4) 0.2281(3) 0.0865(4) 0.099(4) Uiso 1 1 d D . . . .
H64A H 0.043701 0.235385 0.106164 0.148 Uiso 1 1 calc R U . . .
H64B H 0.087986 0.235057 0.098136 0.148 Uiso 1 1 calc R U . . .
H64C H 0.058643 0.242232 0.066176 0.148 Uiso 1 1 calc R U . . .
C644 C 0.0695(3) 0.1667(3) 0.0414(3) 0.075(3) Uiso 1 1 d D . . . .
H644 H 0.090109 0.182628 0.031761 0.090 Uiso 1 1 calc R U . . .
C645 C 0.0604(3) 0.1274(3) 0.0270(3) 0.071(3) Uiso 1 1 d D . . . .
H645 H 0.074629 0.116539 0.007197 0.085 Uiso 1 1 calc R U . . .
C646 C 0.0213(4) 0.0584(3) 0.0255(4) 0.097(4) Uiso 1 1 d D . . . .
H64D H -0.000195 0.046809 0.038802 0.146 Uiso 1 1 calc R U . . .
H64E H 0.013501 0.051877 -0.002099 0.146 Uiso 1 1 calc R U . . .
H64F H 0.044211 0.047792 0.030415 0.146 Uiso 1 1 calc R U . . .
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'
Ni Ni 0.3393 1.1124 '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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2_1 C1_1 C9_1 121.0(6) . . ?
C2_1 C1_1 C6_1 121.0(6) . . ?
C9_1 C1_1 C6_1 108.1(6) . . ?
C1_1 C2_1 C3_1 115.6(6) . . ?
C1_1 C2_1 C12_1 119.4(6) . . ?
C3_1 C2_1 C12_1 117.9(6) . . ?
C4_1 C3_1 C2_1 121.2(6) . . ?
C4_1 C3_1 C15_1 108.1(6) . . ?
C2_1 C3_1 C15_1 122.2(6) . . ?
C5_1 C4_1 C3_1 121.3(6) . . ?
C5_1 C4_1 C17_1 122.2(6) . . ?
C3_1 C4_1 C17_1 107.5(6) . . ?
C6_1 C5_1 C4_1 116.7(6) . . ?
C6_1 C5_1 C20_1 118.9(6) . . ?
C4_1 C5_1 C20_1 117.9(6) . . ?
C5_1 C6_1 C1_1 121.8(6) . . ?
C5_1 C6_1 C7_1 121.7(7) . . ?
C1_1 C6_1 C7_1 107.4(6) . . ?
C22_1 C7_1 C8_1 119.6(6) . . ?
C22_1 C7_1 C6_1 119.5(6) . . ?
C8_1 C7_1 C6_1 108.6(6) . . ?
C25_1 C8_1 C9_1 119.7(6) . . ?
C25_1 C8_1 C7_1 120.4(7) . . ?
C9_1 C8_1 C7_1 106.4(6) . . ?
C10_1 C9_1 C1_1 119.8(6) . . ?
C10_1 C9_1 C8_1 119.7(6) . . ?
C1_1 C9_1 C8_1 109.4(6) . . ?
C9_1 C10_1 C11_1 119.2(6) . . ?
C9_1 C10_1 C27_1 119.5(6) . . ?
C11_1 C10_1 C27_1 109.3(6) . . ?
C12_1 C11_1 C29_1 120.5(6) . . ?
C12_1 C11_1 C10_1 122.2(6) . . ?
C29_1 C11_1 C10_1 108.3(6) . . ?
C13_1 C12_1 C11_1 117.1(6) . . ?
C13_1 C12_1 C2_1 118.3(6) . . ?
C11_1 C12_1 C2_1 118.1(6) . . ?
C12_1 C13_1 C31_1 120.8(6) . . ?
C12_1 C13_1 C14_1 121.7(6) . . ?
C31_1 C13_1 C14_1 108.4(6) . . ?
C15_1 C14_1 C13_1 120.6(6) . . ?
C15_1 C14_1 C33_1 120.2(7) . . ?
C13_1 C14_1 C33_1 107.7(6) . . ?
C14_1 C15_1 C3_1 118.9(6) . . ?
C14_1 C15_1 C16_1 120.6(7) . . ?
C3_1 C15_1 C16_1 108.6(6) . . ?
C35_1 C16_1 C17_1 121.6(7) . . ?
C35_1 C16_1 C15_1 119.5(7) . . ?
C17_1 C16_1 C15_1 106.5(6) . . ?
C18_1 C17_1 C16_1 120.5(7) . . ?
C18_1 C17_1 C4_1 119.0(6) . . ?
C16_1 C17_1 C4_1 109.3(6) . . ?
C17_1 C18_1 C19_1 120.4(6) . . ?
C17_1 C18_1 C37_1 118.4(7) . . ?
C19_1 C18_1 C37_1 109.1(6) . . ?
C20_1 C19_1 C18_1 121.9(6) . . ?
C20_1 C19_1 C39_1 121.5(6) . . ?
C18_1 C19_1 C39_1 108.0(6) . . ?
C19_1 C20_1 C21_1 116.2(6) . . ?
C19_1 C20_1 C5_1 118.2(6) . . ?
C21_1 C20_1 C5_1 118.0(6) . . ?
C41_1 C21_1 C20_1 121.1(6) . . ?
C41_1 C21_1 C22_1 107.8(6) . . ?
C20_1 C21_1 C22_1 122.1(6) . . ?
C7_1 C22_1 C21_1 119.4(6) . . ?
C7_1 C22_1 C23_1 119.9(6) . . ?
C21_1 C22_1 C23_1 109.3(6) . . ?
C24_1 C23_1 C42_1 121.8(7) . . ?
C24_1 C23_1 C22_1 119.9(7) . . ?
C42_1 C23_1 C22_1 106.2(6) . . ?
C23_1 C24_1 C25_1 120.6(6) . . ?
C23_1 C24_1 C45_1 118.9(7) . . ?
C25_1 C24_1 C45_1 107.7(6) . . ?
C8_1 C25_1 C26_1 121.1(7) . . ?
C8_1 C25_1 C24_1 119.6(7) . . ?
C26_1 C25_1 C24_1 107.7(6) . . ?
C27_1 C26_1 C25_1 119.2(6) . . ?
C27_1 C26_1 C46_1 118.6(6) . . ?
C25_1 C26_1 C46_1 109.2(6) . . ?
C26_1 C27_1 C10_1 120.8(6) . . ?
C26_1 C27_1 C28_1 120.9(6) . . ?
C10_1 C27_1 C28_1 106.5(6) . . ?
C48_1 C28_1 C27_1 120.6(7) . . ?
C48_1 C28_1 C29_1 119.8(6) . . ?
C27_1 C28_1 C29_1 108.7(6) . . ?
C30_1 C29_1 C11_1 121.9(6) . . ?
C30_1 C29_1 C28_1 121.7(6) . . ?
C11_1 C29_1 C28_1 107.2(6) . . ?
C29_1 C30_1 C31_1 116.9(6) . . ?
C29_1 C30_1 C50_1 117.9(6) . . ?
C31_1 C30_1 C50_1 117.7(6) . . ?
C30_1 C31_1 C32_1 123.2(6) . . ?
C30_1 C31_1 C13_1 120.8(6) . . ?
C32_1 C31_1 C13_1 107.6(6) . . ?
C52_1 C32_1 C31_1 118.9(6) . . ?
C52_1 C32_1 C33_1 119.1(7) . . ?
C31_1 C32_1 C33_1 109.6(6) . . ?
C34_1 C33_1 C32_1 121.1(6) . . ?
C34_1 C33_1 C14_1 119.3(7) . . ?
C32_1 C33_1 C14_1 106.7(6) . . ?
C33_1 C34_1 C35_1 119.1(7) . . ?
C33_1 C34_1 C54_1 119.0(6) . . ?
C35_1 C34_1 C54_1 109.9(6) . . ?
C16_1 C35_1 C34_1 121.3(7) . . ?
C16_1 C35_1 C36_1 118.4(7) . . ?
C34_1 C35_1 C36_1 107.4(6) . . ?
C37_1 C36_1 C35_1 120.8(7) . . ?
C37_1 C36_1 C55_1 119.8(7) . . ?
C35_1 C36_1 C55_1 107.5(6) . . ?
C36_1 C37_1 C38_1 119.6(7) . . ?
C36_1 C37_1 C18_1 120.4(7) . . ?
C38_1 C37_1 C18_1 106.9(6) . . ?
C57_1 C38_1 C37_1 121.6(7) . . ?
C57_1 C38_1 C39_1 120.0(6) . . ?
C37_1 C38_1 C39_1 107.7(6) . . ?
C40_1 C39_1 C19_1 121.3(6) . . ?
C40_1 C39_1 C38_1 120.7(6) . . ?
C19_1 C39_1 C38_1 108.2(6) . . ?
C39_1 C40_1 C41_1 114.9(6) . . ?
C39_1 C40_1 C59_1 119.9(6) . . ?
C41_1 C40_1 C59_1 119.1(6) . . ?
C21_1 C41_1 C40_1 122.2(6) . . ?
C21_1 C41_1 C42_1 108.3(6) . . ?
C40_1 C41_1 C42_1 119.3(6) . . ?
C43_1 C42_1 C23_1 119.1(7) . . ?
C43_1 C42_1 C41_1 120.0(6) . . ?
C23_1 C42_1 C41_1 108.4(6) . . ?
C42_1 C43_1 C60_1 119.9(6) . . ?
C42_1 C43_1 C44_1 119.8(7) . . ?
C60_1 C43_1 C44_1 109.3(6) . . ?
C45_1 C44_1 C43_1 120.4(6) . . ?
C45_1 C44_1 C62_1 120.4(7) . . ?
C43_1 C44_1 C62_1 106.7(6) . . ?
C44_1 C45_1 C46_1 119.0(6) . . ?
C44_1 C45_1 C24_1 120.1(6) . . ?
C46_1 C45_1 C24_1 108.0(6) . . ?
C47_1 C46_1 C26_1 120.7(6) . . ?
C47_1 C46_1 C45_1 119.2(6) . . ?
C26_1 C46_1 C45_1 107.5(6) . . ?
C46_1 C47_1 C63_1 121.6(6) . . ?
C46_1 C47_1 C48_1 120.1(6) . . ?
C63_1 C47_1 C48_1 107.0(6) . . ?
C28_1 C48_1 C49_1 120.1(6) . . ?
C28_1 C48_1 C47_1 119.1(6) . . ?
C49_1 C48_1 C47_1 108.6(6) . . ?
C48_1 C49_1 C50_1 121.5(6) . . ?
C48_1 C49_1 C64_1 107.8(6) . . ?
C50_1 C49_1 C64_1 120.8(6) . . ?
C51_1 C50_1 C49_1 115.8(6) . . ?
C51_1 C50_1 C30_1 119.1(6) . . ?
C49_1 C50_1 C30_1 118.9(6) . . ?
C50_1 C51_1 C66_1 122.1(6) . . ?
C50_1 C51_1 C52_1 121.2(6) . . ?
C66_1 C51_1 C52_1 107.1(6) . . ?
C32_1 C52_1 C53_1 119.8(6) . . ?
C32_1 C52_1 C51_1 119.5(6) . . ?
C53_1 C52_1 C51_1 108.8(6) . . ?
C54_1 C53_1 C52_1 121.2(7) . . ?
C54_1 C53_1 C67_1 120.0(7) . . ?
C52_1 C53_1 C67_1 106.8(6) . . ?
C53_1 C54_1 C34_1 119.9(7) . . ?
C53_1 C54_1 C55_1 120.5(6) . . ?
C34_1 C54_1 C55_1 107.1(6) . . ?
C56_1 C55_1 C54_1 119.3(7) . . ?
C56_1 C55_1 C36_1 119.7(7) . . ?
C54_1 C55_1 C36_1 108.1(6) . . ?
C55_1 C56_1 C68_1 121.2(7) . . ?
C55_1 C56_1 C57_1 119.8(7) . . ?
C68_1 C56_1 C57_1 106.7(6) . . ?
C38_1 C57_1 C58_1 120.5(7) . . ?
C38_1 C57_1 C56_1 119.5(6) . . ?
C58_1 C57_1 C56_1 107.3(6) . . ?
C69_1 C58_1 C57_1 109.4(6) . . ?
C69_1 C58_1 C59_1 120.6(6) . . ?
C57_1 C58_1 C59_1 121.3(6) . . ?
C60_1 C59_1 C58_1 116.0(6) . . ?
C60_1 C59_1 C40_1 120.1(6) . . ?
C58_1 C59_1 C40_1 117.3(6) . . ?
C59_1 C60_1 C43_1 121.4(7) . . ?
C59_1 C60_1 C61_1 122.1(7) . . ?
C43_1 C60_1 C61_1 107.7(6) . . ?
C60_1 C61_1 C70_1 121.1(6) . . ?
C60_1 C61_1 C62_1 108.2(6) . . ?
C70_1 C61_1 C62_1 121.3(6) . . ?
C63_1 C62_1 C44_1 120.3(7) . . ?
C63_1 C62_1 C61_1 120.4(6) . . ?
C44_1 C62_1 C61_1 108.1(6) . . ?
C62_1 C63_1 C47_1 119.5(7) . . ?
C62_1 C63_1 C64_1 119.2(6) . . ?
C47_1 C63_1 C64_1 109.2(6) . . ?
C65_1 C64_1 C63_1 122.2(6) . . ?
C65_1 C64_1 C49_1 121.1(6) . . ?
C63_1 C64_1 C49_1 107.3(6) . . ?
C66_1 C65_1 C64_1 116.9(7) . . ?
C66_1 C65_1 C70_1 118.3(6) . . ?
C64_1 C65_1 C70_1 118.6(6) . . ?
C65_1 C66_1 C67_1 122.0(7) . . ?
C65_1 C66_1 C51_1 120.6(6) . . ?
C67_1 C66_1 C51_1 108.3(6) . . ?
C68_1 C67_1 C66_1 119.9(6) . . ?
C68_1 C67_1 C53_1 118.8(6) . . ?
C66_1 C67_1 C53_1 108.9(6) . . ?
C67_1 C68_1 C56_1 120.2(6) . . ?
C67_1 C68_1 C69_1 118.7(6) . . ?
C56_1 C68_1 C69_1 110.2(6) . . ?
C70_1 C69_1 C58_1 121.7(6) . . ?
C70_1 C69_1 C68_1 121.6(6) . . ?
C58_1 C69_1 C68_1 106.3(6) . . ?
C69_1 C70_1 C61_1 115.9(6) . . ?
C69_1 C70_1 C65_1 119.3(6) . . ?
C61_1 C70_1 C65_1 118.0(6) . . ?
C2_2 C1_2 C6_2 122.3(8) . . ?
C2_2 C1_2 C9_2 120.0(9) . . ?
C6_2 C1_2 C9_2 108.0(8) . . ?
C1_2 C2_2 C3_2 115.3(9) . . ?
C1_2 C2_2 C12_2 119.7(8) . . ?
C3_2 C2_2 C12_2 119.0(8) . . ?
C4_2 C3_2 C2_2 121.0(9) . . ?
C4_2 C3_2 C15_2 109.5(9) . . ?
C2_2 C3_2 C15_2 119.9(9) . . ?
C3_2 C4_2 C5_2 123.4(9) . . ?
C3_2 C4_2 C17_2 106.6(9) . . ?
C5_2 C4_2 C17_2 121.2(10) . . ?
C4_2 C5_2 C20_2 121.1(9) . . ?
C4_2 C5_2 C6_2 115.0(10) . . ?
C20_2 C5_2 C6_2 117.6(9) . . ?
C7_2 C6_2 C1_2 108.5(8) . . ?
C7_2 C6_2 C5_2 121.9(9) . . ?
C1_2 C6_2 C5_2 120.0(8) . . ?
C22_2 C7_2 C6_2 121.1(8) . . ?
C22_2 C7_2 C8_2 119.4(8) . . ?
C6_2 C7_2 C8_2 108.5(8) . . ?
C25_2 C8_2 C7_2 119.8(8) . . ?
C25_2 C8_2 C9_2 118.7(7) . . ?
C7_2 C8_2 C9_2 108.3(7) . . ?
C10_2 C9_2 C8_2 120.5(8) . . ?
C10_2 C9_2 C1_2 120.6(8) . . ?
C8_2 C9_2 C1_2 106.7(8) . . ?
C9_2 C10_2 C11_2 119.8(8) . . ?
C9_2 C10_2 C27_2 119.6(8) . . ?
C11_2 C10_2 C27_2 109.6(7) . . ?
C29_2 C11_2 C12_2 122.8(8) . . ?
C29_2 C11_2 C10_2 107.1(8) . . ?
C12_2 C11_2 C10_2 121.0(9) . . ?
C13_2 C12_2 C11_2 115.1(9) . . ?
C13_2 C12_2 C2_2 119.2(9) . . ?
C11_2 C12_2 C2_2 118.6(8) . . ?
C12_2 C13_2 C31_2 121.4(9) . . ?
C12_2 C13_2 C14_2 119.6(10) . . ?
C31_2 C13_2 C14_2 109.7(9) . . ?
C15_2 C14_2 C13_2 122.3(9) . . ?
C15_2 C14_2 C33_2 119.9(9) . . ?
C13_2 C14_2 C33_2 106.1(9) . . ?
C14_2 C15_2 C16_2 122.0(9) . . ?
C14_2 C15_2 C3_2 119.6(9) . . ?
C16_2 C15_2 C3_2 107.1(9) . . ?
C15_2 C16_2 C35_2 120.3(9) . . ?
C15_2 C16_2 C17_2 108.4(8) . . ?
C35_2 C16_2 C17_2 118.7(9) . . ?
C18_2 C17_2 C16_2 121.8(9) . . ?
C18_2 C17_2 C4_2 118.4(9) . . ?
C16_2 C17_2 C4_2 108.3(9) . . ?
C17_2 C18_2 C19_2 121.7(8) . . ?
C17_2 C18_2 C37_2 120.4(9) . . ?
C19_2 C18_2 C37_2 106.2(9) . . ?
C39_2 C19_2 C18_2 111.3(8) . . ?
C39_2 C19_2 C20_2 119.8(9) . . ?
C18_2 C19_2 C20_2 120.3(9) . . ?
C21_2 C20_2 C5_2 120.1(8) . . ?
C21_2 C20_2 C19_2 115.7(9) . . ?
C5_2 C20_2 C19_2 116.9(9) . . ?
C41_2 C21_2 C20_2 122.4(8) . . ?
C41_2 C21_2 C22_2 107.3(8) . . ?
C20_2 C21_2 C22_2 121.2(9) . . ?
C7_2 C22_2 C23_2 121.9(8) . . ?
C7_2 C22_2 C21_2 117.9(8) . . ?
C23_2 C22_2 C21_2 108.0(9) . . ?
C22_2 C23_2 C24_2 119.5(8) . . ?
C22_2 C23_2 C42_2 109.3(8) . . ?
C24_2 C23_2 C42_2 118.9(9) . . ?
C23_2 C24_2 C45_2 119.1(8) . . ?
C23_2 C24_2 C25_2 119.3(8) . . ?
C45_2 C24_2 C25_2 109.1(8) . . ?
C8_2 C25_2 C26_2 120.4(8) . . ?
C8_2 C25_2 C24_2 120.1(7) . . ?
C26_2 C25_2 C24_2 107.7(7) . . ?
C27_2 C26_2 C25_2 120.4(8) . . ?
C27_2 C26_2 C46_2 119.1(7) . . ?
C25_2 C26_2 C46_2 107.4(7) . . ?
C26_2 C27_2 C10_2 120.6(7) . . ?
C26_2 C27_2 C28_2 121.7(8) . . ?
C10_2 C27_2 C28_2 105.0(7) . . ?
C48_2 C28_2 C29_2 122.2(8) . . ?
C48_2 C28_2 C27_2 117.9(8) . . ?
C29_2 C28_2 C27_2 108.2(8) . . ?
C11_2 C29_2 C28_2 110.1(8) . . ?
C11_2 C29_2 C30_2 120.7(9) . . ?
C28_2 C29_2 C30_2 120.5(9) . . ?
C31_2 C30_2 C50_2 120.5(8) . . ?
C31_2 C30_2 C29_2 114.8(9) . . ?
C50_2 C30_2 C29_2 118.3(9) . . ?
C13_2 C31_2 C30_2 122.6(8) . . ?
C13_2 C31_2 C32_2 107.9(9) . . ?
C30_2 C31_2 C32_2 120.1(9) . . ?
C52_2 C32_2 C33_2 120.3(9) . . ?
C52_2 C32_2 C31_2 120.2(9) . . ?
C33_2 C32_2 C31_2 108.3(9) . . ?
C34_2 C33_2 C32_2 119.8(9) . . ?
C34_2 C33_2 C14_2 118.6(9) . . ?
C32_2 C33_2 C14_2 108.1(8) . . ?
C33_2 C34_2 C35_2 120.5(8) . . ?
C33_2 C34_2 C54_2 120.6(8) . . ?
C35_2 C34_2 C54_2 107.9(8) . . ?
C16_2 C35_2 C34_2 118.6(9) . . ?
C16_2 C35_2 C36_2 120.1(9) . . ?
C34_2 C35_2 C36_2 108.1(8) . . ?
C37_2 C36_2 C35_2 119.5(8) . . ?
C37_2 C36_2 C55_2 119.7(9) . . ?
C35_2 C36_2 C55_2 108.1(8) . . ?
C36_2 C37_2 C38_2 120.1(8) . . ?
C36_2 C37_2 C18_2 119.4(9) . . ?
C38_2 C37_2 C18_2 108.1(8) . . ?
C57_2 C38_2 C37_2 121.5(8) . . ?
C57_2 C38_2 C39_2 119.7(9) . . ?
C37_2 C38_2 C39_2 107.6(8) . . ?
C19_2 C39_2 C40_2 124.7(8) . . ?
C19_2 C39_2 C38_2 106.8(8) . . ?
C40_2 C39_2 C38_2 119.2(9) . . ?
C39_2 C40_2 C41_2 113.9(9) . . ?
C39_2 C40_2 C59_2 120.8(9) . . ?
C41_2 C40_2 C59_2 117.8(9) . . ?
C21_2 C41_2 C40_2 121.1(9) . . ?
C21_2 C41_2 C42_2 109.6(8) . . ?
C40_2 C41_2 C42_2 120.1(9) . . ?
C43_2 C42_2 C23_2 121.2(9) . . ?
C43_2 C42_2 C41_2 120.4(9) . . ?
C23_2 C42_2 C41_2 105.9(9) . . ?
C42_2 C43_2 C44_2 120.4(9) . . ?
C42_2 C43_2 C60_2 120.9(9) . . ?
C44_2 C43_2 C60_2 107.7(9) . . ?
C45_2 C44_2 C62_2 119.7(9) . . ?
C45_2 C44_2 C43_2 120.0(9) . . ?
C62_2 C44_2 C43_2 107.8(8) . . ?
C44_2 C45_2 C46_2 119.1(8) . . ?
C44_2 C45_2 C24_2 120.4(8) . . ?
C46_2 C45_2 C24_2 107.1(8) . . ?
C47_2 C46_2 C45_2 120.1(8) . . ?
C47_2 C46_2 C26_2 119.7(8) . . ?
C45_2 C46_2 C26_2 108.6(7) . . ?
C46_2 C47_2 C48_2 119.4(8) . . ?
C46_2 C47_2 C63_2 119.0(9) . . ?
C48_2 C47_2 C63_2 108.4(8) . . ?
C28_2 C48_2 C47_2 122.2(8) . . ?
C28_2 C48_2 C49_2 117.5(9) . . ?
C47_2 C48_2 C49_2 108.2(8) . . ?
C64_2 C49_2 C50_2 123.4(8) . . ?
C64_2 C49_2 C48_2 107.5(9) . . ?
C50_2 C49_2 C48_2 120.7(9) . . ?
C49_2 C50_2 C30_2 120.2(8) . . ?
C49_2 C50_2 C51_2 114.5(9) . . ?
C30_2 C50_2 C51_2 117.6(8) . . ?
C66_2 C51_2 C52_2 109.2(8) . . ?
C66_2 C51_2 C50_2 121.1(8) . . ?
C52_2 C51_2 C50_2 121.1(9) . . ?
C32_2 C52_2 C51_2 120.1(8) . . ?
C32_2 C52_2 C53_2 120.1(8) . . ?
C51_2 C52_2 C53_2 107.8(8) . . ?
C54_2 C53_2 C67_2 121.9(9) . . ?
C54_2 C53_2 C52_2 119.9(9) . . ?
C67_2 C53_2 C52_2 106.0(7) . . ?
C53_2 C54_2 C55_2 118.7(9) . . ?
C53_2 C54_2 C34_2 119.3(8) . . ?
C55_2 C54_2 C34_2 108.7(7) . . ?
C56_2 C55_2 C54_2 120.7(8) . . ?
C56_2 C55_2 C36_2 119.2(8) . . ?
C54_2 C55_2 C36_2 107.3(8) . . ?
C55_2 C56_2 C57_2 121.3(8) . . ?
C55_2 C56_2 C68_2 119.9(8) . . ?
C57_2 C56_2 C68_2 106.6(8) . . ?
C38_2 C57_2 C58_2 120.1(9) . . ?
C38_2 C57_2 C56_2 118.2(9) . . ?
C58_2 C57_2 C56_2 108.6(8) . . ?
C69_2 C58_2 C57_2 109.2(9) . . ?
C69_2 C58_2 C59_2 120.3(8) . . ?
C57_2 C58_2 C59_2 122.5(9) . . ?
C58_2 C59_2 C60_2 116.1(9) . . ?
C58_2 C59_2 C40_2 117.0(9) . . ?
C60_2 C59_2 C40_2 120.0(8) . . ?
C61_2 C60_2 C59_2 121.0(9) . . ?
C61_2 C60_2 C43_2 109.0(9) . . ?
C59_2 C60_2 C43_2 120.3(10) . . ?
C60_2 C61_2 C70_2 123.6(9) . . ?
C60_2 C61_2 C62_2 107.6(9) . . ?
C70_2 C61_2 C62_2 120.5(10) . . ?
C63_2 C62_2 C44_2 121.6(9) . . ?
C63_2 C62_2 C61_2 118.7(9) . . ?
C44_2 C62_2 C61_2 107.8(9) . . ?
C62_2 C63_2 C47_2 120.4(9) . . ?
C62_2 C63_2 C64_2 122.9(8) . . ?
C47_2 C63_2 C64_2 105.7(8) . . ?
C49_2 C64_2 C65_2 121.9(9) . . ?
C49_2 C64_2 C63_2 110.2(8) . . ?
C65_2 C64_2 C63_2 118.1(9) . . ?
C70_2 C65_2 C66_2 120.7(8) . . ?
C70_2 C65_2 C64_2 118.5(9) . . ?
C66_2 C65_2 C64_2 114.3(9) . . ?
C51_2 C66_2 C65_2 122.2(8) . . ?
C51_2 C66_2 C67_2 108.7(8) . . ?
C65_2 C66_2 C67_2 120.5(9) . . ?
C68_2 C67_2 C53_2 120.3(8) . . ?
C68_2 C67_2 C66_2 118.4(9) . . ?
C53_2 C67_2 C66_2 108.4(8) . . ?
C67_2 C68_2 C69_2 121.9(8) . . ?
C67_2 C68_2 C56_2 118.5(8) . . ?
C69_2 C68_2 C56_2 107.3(8) . . ?
C58_2 C69_2 C70_2 122.4(9) . . ?
C58_2 C69_2 C68_2 108.3(8) . . ?
C70_2 C69_2 C68_2 119.6(9) . . ?
C61_2 C70_2 C65_2 120.9(8) . . ?
C61_2 C70_2 C69_2 114.0(9) . . ?
C65_2 C70_2 C69_2 118.5(9) . . ?
C2_3 C1_3 C6_3 121.1(7) . . ?
C2_3 C1_3 C9_3 122.3(8) . . ?
C6_3 C1_3 C9_3 106.7(6) . . ?
C3_3 C2_3 C1_3 116.9(8) . . ?
C3_3 C2_3 C12_3 118.5(7) . . ?
C1_3 C2_3 C12_3 118.1(7) . . ?
C2_3 C3_3 C4_3 121.0(7) . . ?
C2_3 C3_3 C15_3 121.8(7) . . ?
C4_3 C3_3 C15_3 107.4(7) . . ?
C5_3 C4_3 C3_3 121.1(7) . . ?
C5_3 C4_3 C17_3 121.4(7) . . ?
C3_3 C4_3 C17_3 108.4(7) . . ?
C6_3 C5_3 C4_3 116.7(7) . . ?
C6_3 C5_3 C20_3 117.9(7) . . ?
C4_3 C5_3 C20_3 118.9(7) . . ?
C5_3 C6_3 C7_3 122.9(7) . . ?
C5_3 C6_3 C1_3 120.6(7) . . ?
C7_3 C6_3 C1_3 108.0(7) . . ?
C22_3 C7_3 C6_3 120.0(7) . . ?
C22_3 C7_3 C8_3 117.2(7) . . ?
C6_3 C7_3 C8_3 110.1(6) . . ?
C25_3 C8_3 C7_3 122.4(7) . . ?
C25_3 C8_3 C9_3 121.0(7) . . ?
C7_3 C8_3 C9_3 105.3(6) . . ?
C10_3 C9_3 C1_3 119.7(7) . . ?
C10_3 C9_3 C8_3 118.9(7) . . ?
C1_3 C9_3 C8_3 109.8(7) . . ?
C9_3 C10_3 C27_3 120.7(7) . . ?
C9_3 C10_3 C11_3 119.5(7) . . ?
C27_3 C10_3 C11_3 107.7(7) . . ?
C12_3 C11_3 C29_3 121.7(7) . . ?
C12_3 C11_3 C10_3 121.2(8) . . ?
C29_3 C11_3 C10_3 107.9(7) . . ?
C13_3 C12_3 C11_3 115.6(8) . . ?
C13_3 C12_3 C2_3 118.9(7) . . ?
C11_3 C12_3 C2_3 118.9(7) . . ?
C12_3 C13_3 C31_3 121.6(7) . . ?
C12_3 C13_3 C14_3 121.0(8) . . ?
C31_3 C13_3 C14_3 107.6(7) . . ?
C15_3 C14_3 C33_3 120.1(7) . . ?
C15_3 C14_3 C13_3 119.8(7) . . ?
C33_3 C14_3 C13_3 108.2(7) . . ?
C14_3 C15_3 C16_3 121.4(7) . . ?
C14_3 C15_3 C3_3 119.8(7) . . ?
C16_3 C15_3 C3_3 108.3(7) . . ?
C35_3 C16_3 C17_3 121.5(7) . . ?
C35_3 C16_3 C15_3 118.3(7) . . ?
C17_3 C16_3 C15_3 106.9(7) . . ?
C18_3 C17_3 C16_3 119.3(7) . . ?
C18_3 C17_3 C4_3 120.0(7) . . ?
C16_3 C17_3 C4_3 108.9(7) . . ?
C17_3 C18_3 C37_3 119.6(7) . . ?
C17_3 C18_3 C19_3 119.2(7) . . ?
C37_3 C18_3 C19_3 109.2(7) . . ?
C20_3 C19_3 C39_3 120.1(7) . . ?
C20_3 C19_3 C18_3 122.6(7) . . ?
C39_3 C19_3 C18_3 108.4(7) . . ?
C21_3 C20_3 C19_3 117.0(7) . . ?
C21_3 C20_3 C5_3 118.4(7) . . ?
C19_3 C20_3 C5_3 117.5(6) . . ?
C20_3 C21_3 C41_3 121.9(7) . . ?
C20_3 C21_3 C22_3 122.7(7) . . ?
C41_3 C21_3 C22_3 106.2(6) . . ?
C7_3 C22_3 C23_3 121.3(7) . . ?
C7_3 C22_3 C21_3 117.8(6) . . ?
C23_3 C22_3 C21_3 109.8(7) . . ?
C24_3 C23_3 C22_3 121.0(7) . . ?
C24_3 C23_3 C42_3 119.2(7) . . ?
C22_3 C23_3 C42_3 106.6(6) . . ?
C23_3 C24_3 C45_3 119.9(7) . . ?
C23_3 C24_3 C25_3 118.4(7) . . ?
C45_3 C24_3 C25_3 108.8(6) . . ?
C8_3 C25_3 C26_3 120.1(7) . . ?
C8_3 C25_3 C24_3 119.6(7) . . ?
C26_3 C25_3 C24_3 107.5(7) . . ?
C27_3 C26_3 C46_3 119.3(7) . . ?
C27_3 C26_3 C25_3 118.9(7) . . ?
C46_3 C26_3 C25_3 108.6(7) . . ?
C26_3 C27_3 C10_3 120.3(7) . . ?
C26_3 C27_3 C28_3 119.2(8) . . ?
C10_3 C27_3 C28_3 108.5(7) . . ?
C48_3 C28_3 C27_3 121.7(7) . . ?
C48_3 C28_3 C29_3 119.8(7) . . ?
C27_3 C28_3 C29_3 107.3(8) . . ?
C30_3 C29_3 C11_3 121.1(7) . . ?
C30_3 C29_3 C28_3 121.5(8) . . ?
C11_3 C29_3 C28_3 108.5(7) . . ?
C29_3 C30_3 C31_3 116.7(8) . . ?
C29_3 C30_3 C50_3 117.9(7) . . ?
C31_3 C30_3 C50_3 119.0(7) . . ?
C30_3 C31_3 C32_3 122.1(7) . . ?
C30_3 C31_3 C13_3 120.7(7) . . ?
C32_3 C31_3 C13_3 108.3(7) . . ?
C52_3 C32_3 C31_3 119.2(7) . . ?
C52_3 C32_3 C33_3 120.5(7) . . ?
C31_3 C32_3 C33_3 108.0(7) . . ?
C34_3 C33_3 C14_3 119.6(7) . . ?
C34_3 C33_3 C32_3 119.3(7) . . ?
C14_3 C33_3 C32_3 107.8(6) . . ?
C33_3 C34_3 C35_3 119.8(7) . . ?
C33_3 C34_3 C54_3 119.9(7) . . ?
C35_3 C34_3 C54_3 108.3(6) . . ?
C16_3 C35_3 C34_3 120.7(7) . . ?
C16_3 C35_3 C36_3 119.7(6) . . ?
C34_3 C35_3 C36_3 107.9(6) . . ?
C37_3 C36_3 C55_3 120.3(7) . . ?
C37_3 C36_3 C35_3 118.2(7) . . ?
C55_3 C36_3 C35_3 108.1(6) . . ?
C36_3 C37_3 C18_3 121.7(7) . . ?
C36_3 C37_3 C38_3 118.3(7) . . ?
C18_3 C37_3 C38_3 107.3(6) . . ?
C57_3 C38_3 C39_3 120.0(7) . . ?
C57_3 C38_3 C37_3 121.5(7) . . ?
C39_3 C38_3 C37_3 107.2(7) . . ?
C40_3 C39_3 C19_3 121.7(7) . . ?
C40_3 C39_3 C38_3 121.7(7) . . ?
C19_3 C39_3 C38_3 107.9(6) . . ?
C39_3 C40_3 C41_3 117.3(7) . . ?
C39_3 C40_3 C59_3 118.0(7) . . ?
C41_3 C40_3 C59_3 117.8(7) . . ?
C40_3 C41_3 C21_3 119.7(6) . . ?
C40_3 C41_3 C42_3 121.8(7) . . ?
C21_3 C41_3 C42_3 109.5(6) . . ?
C43_3 C42_3 C41_3 120.2(7) . . ?
C43_3 C42_3 C23_3 120.2(7) . . ?
C41_3 C42_3 C23_3 107.9(7) . . ?
C42_3 C43_3 C60_3 120.1(7) . . ?
C42_3 C43_3 C44_3 119.9(7) . . ?
C60_3 C43_3 C44_3 107.7(7) . . ?
C45_3 C44_3 C62_3 121.2(7) . . ?
C45_3 C44_3 C43_3 119.8(7) . . ?
C62_3 C44_3 C43_3 107.0(6) . . ?
C44_3 C45_3 C24_3 120.9(7) . . ?
C44_3 C45_3 C46_3 119.3(7) . . ?
C24_3 C45_3 C46_3 107.4(7) . . ?
C47_3 C46_3 C26_3 119.7(7) . . ?
C47_3 C46_3 C45_3 119.6(7) . . ?
C26_3 C46_3 C45_3 107.7(7) . . ?
C46_3 C47_3 C48_3 120.9(8) . . ?
C46_3 C47_3 C63_3 120.1(7) . . ?
C48_3 C47_3 C63_3 106.4(7) . . ?
C28_3 C48_3 C49_3 120.3(7) . . ?
C28_3 C48_3 C47_3 119.1(7) . . ?
C49_3 C48_3 C47_3 108.9(7) . . ?
C50_3 C49_3 C64_3 121.0(7) . . ?
C50_3 C49_3 C48_3 121.7(8) . . ?
C64_3 C49_3 C48_3 108.3(7) . . ?
C49_3 C50_3 C51_3 117.1(8) . . ?
C49_3 C50_3 C30_3 118.4(7) . . ?
C51_3 C50_3 C30_3 117.1(7) . . ?
C66_3 C51_3 C52_3 109.2(7) . . ?
C66_3 C51_3 C50_3 120.0(7) . . ?
C52_3 C51_3 C50_3 122.2(7) . . ?
C32_3 C52_3 C51_3 120.1(7) . . ?
C32_3 C52_3 C53_3 119.3(7) . . ?
C51_3 C52_3 C53_3 109.0(7) . . ?
C54_3 C53_3 C52_3 120.9(7) . . ?
C54_3 C53_3 C67_3 120.2(7) . . ?
C52_3 C53_3 C67_3 106.1(6) . . ?
C53_3 C54_3 C34_3 120.1(7) . . ?
C53_3 C54_3 C55_3 119.8(7) . . ?
C34_3 C54_3 C55_3 107.7(6) . . ?
C56_3 C55_3 C36_3 119.9(6) . . ?
C56_3 C55_3 C54_3 119.7(7) . . ?
C36_3 C55_3 C54_3 108.0(6) . . ?
C55_3 C56_3 C68_3 120.6(7) . . ?
C55_3 C56_3 C57_3 120.6(7) . . ?
C68_3 C56_3 C57_3 106.5(6) . . ?
C38_3 C57_3 C58_3 120.0(7) . . ?
C38_3 C57_3 C56_3 119.4(7) . . ?
C58_3 C57_3 C56_3 107.9(7) . . ?
C59_3 C58_3 C69_3 121.8(7) . . ?
C59_3 C58_3 C57_3 120.9(7) . . ?
C69_3 C58_3 C57_3 108.6(6) . . ?
C58_3 C59_3 C60_3 116.4(7) . . ?
C58_3 C59_3 C40_3 118.9(7) . . ?
C60_3 C59_3 C40_3 118.7(7) . . ?
C59_3 C60_3 C61_3 120.6(7) . . ?
C59_3 C60_3 C43_3 121.1(7) . . ?
C61_3 C60_3 C43_3 108.4(7) . . ?
C60_3 C61_3 C70_3 121.0(7) . . ?
C60_3 C61_3 C62_3 108.3(7) . . ?
C70_3 C61_3 C62_3 122.4(8) . . ?
C63_3 C62_3 C61_3 119.3(7) . . ?
C63_3 C62_3 C44_3 119.4(7) . . ?
C61_3 C62_3 C44_3 108.6(7) . . ?
C62_3 C63_3 C64_3 119.8(7) . . ?
C62_3 C63_3 C47_3 120.4(7) . . ?
C64_3 C63_3 C47_3 108.7(7) . . ?
C65_3 C64_3 C49_3 121.0(7) . . ?
C65_3 C64_3 C63_3 122.1(7) . . ?
C49_3 C64_3 C63_3 107.7(7) . . ?
C66_3 C65_3 C64_3 116.7(7) . . ?
C66_3 C65_3 C70_3 118.5(7) . . ?
C64_3 C65_3 C70_3 118.1(7) . . ?
C65_3 C66_3 C51_3 122.1(7) . . ?
C65_3 C66_3 C67_3 121.5(7) . . ?
C51_3 C66_3 C67_3 107.1(7) . . ?
C68_3 C67_3 C53_3 120.1(7) . . ?
C68_3 C67_3 C66_3 119.6(7) . . ?
C53_3 C67_3 C66_3 108.6(7) . . ?
C67_3 C68_3 C56_3 119.6(7) . . ?
C67_3 C68_3 C69_3 119.3(7) . . ?
C56_3 C68_3 C69_3 109.7(7) . . ?
C70_3 C69_3 C58_3 120.5(7) . . ?
C70_3 C69_3 C68_3 122.4(7) . . ?
C58_3 C69_3 C68_3 107.2(7) . . ?
C69_3 C70_3 C61_3 117.0(7) . . ?
C69_3 C70_3 C65_3 118.4(7) . . ?
C61_3 C70_3 C65_3 117.9(7) . . ?
C2_4 C1_4 C6_4 121.2(6) . . ?
C2_4 C1_4 C9_4 121.5(6) . . ?
C6_4 C1_4 C9_4 108.0(6) . . ?
C1_4 C2_4 C3_4 116.4(6) . . ?
C1_4 C2_4 C12_4 119.0(6) . . ?
C3_4 C2_4 C12_4 118.1(6) . . ?
C4_4 C3_4 C2_4 121.1(6) . . ?
C4_4 C3_4 C15_4 108.3(6) . . ?
C2_4 C3_4 C15_4 121.5(6) . . ?
C5_4 C4_4 C3_4 121.3(6) . . ?
C5_4 C4_4 C17_4 122.1(6) . . ?
C3_4 C4_4 C17_4 107.6(6) . . ?
C4_4 C5_4 C6_4 116.4(6) . . ?
C4_4 C5_4 C20_4 118.0(6) . . ?
C6_4 C5_4 C20_4 118.3(6) . . ?
C5_4 C6_4 C1_4 121.5(7) . . ?
C5_4 C6_4 C7_4 121.5(7) . . ?
C1_4 C6_4 C7_4 108.4(6) . . ?
C22_4 C7_4 C6_4 120.0(7) . . ?
C22_4 C7_4 C8_4 120.4(7) . . ?
C6_4 C7_4 C8_4 108.5(7) . . ?
C25_4 C8_4 C9_4 119.4(7) . . ?
C25_4 C8_4 C7_4 121.2(7) . . ?
C9_4 C8_4 C7_4 106.5(6) . . ?
C10_4 C9_4 C8_4 121.3(7) . . ?
C10_4 C9_4 C1_4 119.0(6) . . ?
C8_4 C9_4 C1_4 108.7(6) . . ?
C9_4 C10_4 C11_4 120.3(6) . . ?
C9_4 C10_4 C27_4 118.6(7) . . ?
C11_4 C10_4 C27_4 109.2(6) . . ?
C12_4 C11_4 C10_4 122.1(6) . . ?
C12_4 C11_4 C29_4 120.9(6) . . ?
C10_4 C11_4 C29_4 107.8(6) . . ?
C11_4 C12_4 C13_4 116.4(6) . . ?
C11_4 C12_4 C2_4 117.8(6) . . ?
C13_4 C12_4 C2_4 118.4(6) . . ?
C12_4 C13_4 C14_4 121.2(6) . . ?
C12_4 C13_4 C31_4 120.9(6) . . ?
C14_4 C13_4 C31_4 108.9(6) . . ?
C15_4 C14_4 C13_4 121.1(6) . . ?
C15_4 C14_4 C33_4 119.3(7) . . ?
C13_4 C14_4 C33_4 108.1(6) . . ?
C14_4 C15_4 C16_4 121.3(7) . . ?
C14_4 C15_4 C3_4 119.4(6) . . ?
C16_4 C15_4 C3_4 107.8(6) . . ?
C35_4 C16_4 C17_4 120.8(7) . . ?
C35_4 C16_4 C15_4 119.6(7) . . ?
C17_4 C16_4 C15_4 106.9(6) . . ?
C18_4 C17_4 C4_4 119.1(6) . . ?
C18_4 C17_4 C16_4 119.7(7) . . ?
C4_4 C17_4 C16_4 109.3(6) . . ?
C17_4 C18_4 C19_4 119.9(7) . . ?
C17_4 C18_4 C37_4 119.9(7) . . ?
C19_4 C18_4 C37_4 109.0(6) . . ?
C20_4 C19_4 C18_4 122.1(7) . . ?
C20_4 C19_4 C39_4 121.3(6) . . ?
C18_4 C19_4 C39_4 107.7(6) . . ?
C19_4 C20_4 C21_4 117.1(7) . . ?
C19_4 C20_4 C5_4 118.4(6) . . ?
C21_4 C20_4 C5_4 117.5(7) . . ?
C20_4 C21_4 C22_4 122.5(7) . . ?
C20_4 C21_4 C41_4 120.8(7) . . ?
C22_4 C21_4 C41_4 107.7(7) . . ?
C7_4 C22_4 C21_4 119.8(7) . . ?
C7_4 C22_4 C23_4 118.5(7) . . ?
C21_4 C22_4 C23_4 109.3(7) . . ?
C24_4 C23_4 C42_4 121.2(7) . . ?
C24_4 C23_4 C22_4 121.7(7) . . ?
C42_4 C23_4 C22_4 105.7(6) . . ?
C23_4 C24_4 C45_4 120.6(7) . . ?
C23_4 C24_4 C25_4 119.1(7) . . ?
C45_4 C24_4 C25_4 107.9(6) . . ?
C8_4 C25_4 C26_4 121.2(7) . . ?
C8_4 C25_4 C24_4 119.1(7) . . ?
C26_4 C25_4 C24_4 107.0(6) . . ?
C27_4 C26_4 C25_4 119.2(7) . . ?
C27_4 C26_4 C46_4 119.5(7) . . ?
C25_4 C26_4 C46_4 107.9(7) . . ?
C26_4 C27_4 C28_4 121.2(7) . . ?
C26_4 C27_4 C10_4 120.3(7) . . ?
C28_4 C27_4 C10_4 106.4(6) . . ?
C48_4 C28_4 C27_4 120.0(7) . . ?
C48_4 C28_4 C29_4 119.7(6) . . ?
C27_4 C28_4 C29_4 109.5(6) . . ?
C30_4 C29_4 C28_4 122.1(7) . . ?
C30_4 C29_4 C11_4 121.5(6) . . ?
C28_4 C29_4 C11_4 107.0(6) . . ?
C31_4 C30_4 C29_4 115.8(7) . . ?
C31_4 C30_4 C50_4 119.5(7) . . ?
C29_4 C30_4 C50_4 118.2(7) . . ?
C30_4 C31_4 C32_4 120.7(7) . . ?
C30_4 C31_4 C13_4 122.2(6) . . ?
C32_4 C31_4 C13_4 107.5(6) . . ?
C52_4 C32_4 C31_4 120.9(7) . . ?
C52_4 C32_4 C33_4 119.0(7) . . ?
C31_4 C32_4 C33_4 108.7(6) . . ?
C34_4 C33_4 C32_4 121.0(7) . . ?
C34_4 C33_4 C14_4 120.1(7) . . ?
C32_4 C33_4 C14_4 106.8(6) . . ?
C33_4 C34_4 C54_4 119.5(7) . . ?
C33_4 C34_4 C35_4 119.9(7) . . ?
C54_4 C34_4 C35_4 107.4(7) . . ?
C16_4 C35_4 C36_4 119.7(7) . . ?
C16_4 C35_4 C34_4 119.7(7) . . ?
C36_4 C35_4 C34_4 108.1(6) . . ?
C37_4 C36_4 C55_4 120.7(6) . . ?
C37_4 C36_4 C35_4 119.3(7) . . ?
C55_4 C36_4 C35_4 107.5(6) . . ?
C36_4 C37_4 C18_4 120.5(7) . . ?
C36_4 C37_4 C38_4 119.3(7) . . ?
C18_4 C37_4 C38_4 107.1(6) . . ?
C57_4 C38_4 C39_4 120.3(6) . . ?
C57_4 C38_4 C37_4 120.0(7) . . ?
C39_4 C38_4 C37_4 107.9(6) . . ?
C40_4 C39_4 C19_4 121.4(6) . . ?
C40_4 C39_4 C38_4 120.8(6) . . ?
C19_4 C39_4 C38_4 108.3(6) . . ?
C41_4 C40_4 C39_4 116.0(7) . . ?
C41_4 C40_4 C59_4 118.5(7) . . ?
C39_4 C40_4 C59_4 118.8(6) . . ?
C40_4 C41_4 C42_4 122.0(7) . . ?
C40_4 C41_4 C21_4 121.0(7) . . ?
C42_4 C41_4 C21_4 107.7(6) . . ?
C43_4 C42_4 C41_4 120.5(7) . . ?
C43_4 C42_4 C23_4 118.0(7) . . ?
C41_4 C42_4 C23_4 109.6(6) . . ?
C42_4 C43_4 C44_4 120.8(6) . . ?
C42_4 C43_4 C60_4 118.5(7) . . ?
C44_4 C43_4 C60_4 108.2(6) . . ?
C45_4 C44_4 C62_4 120.8(6) . . ?
C45_4 C44_4 C43_4 119.5(6) . . ?
C62_4 C44_4 C43_4 107.7(6) . . ?
C44_4 C45_4 C24_4 119.8(7) . . ?
C44_4 C45_4 C46_4 118.5(7) . . ?
C24_4 C45_4 C46_4 108.5(6) . . ?
C47_4 C46_4 C45_4 119.5(7) . . ?
C47_4 C46_4 C26_4 119.4(7) . . ?
C45_4 C46_4 C26_4 108.7(7) . . ?
C46_4 C47_4 C63_4 121.4(7) . . ?
C46_4 C47_4 C48_4 120.5(7) . . ?
C63_4 C47_4 C48_4 106.5(6) . . ?
C28_4 C48_4 C49_4 119.0(7) . . ?
C28_4 C48_4 C47_4 119.3(7) . . ?
C49_4 C48_4 C47_4 109.0(6) . . ?
C50_4 C49_4 C48_4 123.0(6) . . ?
C50_4 C49_4 C64_4 120.3(6) . . ?
C48_4 C49_4 C64_4 108.6(6) . . ?
C49_4 C50_4 C51_4 116.8(7) . . ?
C49_4 C50_4 C30_4 117.9(6) . . ?
C51_4 C50_4 C30_4 117.8(7) . . ?
C50_4 C51_4 C66_4 121.0(7) . . ?
C50_4 C51_4 C52_4 121.7(7) . . ?
C66_4 C51_4 C52_4 108.2(7) . . ?
C32_4 C52_4 C53_4 120.3(7) . . ?
C32_4 C52_4 C51_4 119.2(7) . . ?
C53_4 C52_4 C51_4 109.1(7) . . ?
C54_4 C53_4 C52_4 121.2(7) . . ?
C54_4 C53_4 C67_4 118.9(7) . . ?
C52_4 C53_4 C67_4 106.8(7) . . ?
C53_4 C54_4 C55_4 121.2(7) . . ?
C53_4 C54_4 C34_4 119.0(7) . . ?
C55_4 C54_4 C34_4 108.5(7) . . ?
C56_4 C55_4 C54_4 119.3(7) . . ?
C56_4 C55_4 C36_4 119.3(7) . . ?
C54_4 C55_4 C36_4 108.5(6) . . ?
C55_4 C56_4 C68_4 119.3(7) . . ?
C55_4 C56_4 C57_4 119.2(7) . . ?
C68_4 C56_4 C57_4 108.4(6) . . ?
C38_4 C57_4 C56_4 121.5(7) . . ?
C38_4 C57_4 C58_4 120.2(7) . . ?
C56_4 C57_4 C58_4 107.0(7) . . ?
C69_4 C58_4 C59_4 121.6(6) . . ?
C69_4 C58_4 C57_4 108.5(6) . . ?
C59_4 C58_4 C57_4 120.4(7) . . ?
C60_4 C59_4 C58_4 114.1(6) . . ?
C60_4 C59_4 C40_4 119.6(6) . . ?
C58_4 C59_4 C40_4 119.0(6) . . ?
C61_4 C60_4 C59_4 121.5(6) . . ?
C61_4 C60_4 C43_4 108.8(6) . . ?
C59_4 C60_4 C43_4 120.6(6) . . ?
C70_4 C61_4 C60_4 122.9(6) . . ?
C70_4 C61_4 C62_4 120.7(6) . . ?
C60_4 C61_4 C62_4 106.7(6) . . ?
C63_4 C62_4 C44_4 121.7(7) . . ?
C63_4 C62_4 C61_4 120.2(7) . . ?
C44_4 C62_4 C61_4 108.6(6) . . ?
C62_4 C63_4 C47_4 118.1(7) . . ?
C62_4 C63_4 C64_4 119.2(6) . . ?
C47_4 C63_4 C64_4 109.3(6) . . ?
C65_4 C64_4 C49_4 121.0(6) . . ?
C65_4 C64_4 C63_4 121.5(6) . . ?
C49_4 C64_4 C63_4 106.7(6) . . ?
C66_4 C65_4 C64_4 116.9(7) . . ?
C66_4 C65_4 C70_4 118.9(7) . . ?
C64_4 C65_4 C70_4 118.5(6) . . ?
C65_4 C66_4 C51_4 121.1(7) . . ?
C65_4 C66_4 C67_4 122.1(7) . . ?
C51_4 C66_4 C67_4 106.5(7) . . ?
C68_4 C67_4 C53_4 120.3(7) . . ?
C68_4 C67_4 C66_4 119.1(7) . . ?
C53_4 C67_4 C66_4 109.4(7) . . ?
C67_4 C68_4 C56_4 120.9(7) . . ?
C67_4 C68_4 C69_4 119.1(7) . . ?
C56_4 C68_4 C69_4 108.4(7) . . ?
C70_4 C69_4 C58_4 121.2(6) . . ?
C70_4 C69_4 C68_4 122.9(7) . . ?
C58_4 C69_4 C68_4 107.7(6) . . ?
C61_4 C70_4 C69_4 116.1(7) . . ?
C61_4 C70_4 C65_4 119.8(6) . . ?
C69_4 C70_4 C65_4 117.7(7) . . ?
C2_5 C1_5 C6_5 121.8 . . ?
C2_5 C1_5 C9_5 120.7 . . ?
C6_5 C1_5 C9_5 107.8 . . ?
C1_5 C2_5 C3_5 115.8 . . ?
C1_5 C2_5 C12_5 119.6 . . ?
C3_5 C2_5 C12_5 118.4 . . ?
C2_5 C3_5 C4_5 121.1 . . ?
C2_5 C3_5 C15_5 121.3 . . ?
C4_5 C3_5 C15_5 108.4 . . ?
C5_5 C4_5 C3_5 121.3 . . ?
C5_5 C4_5 C17_5 121.1 . . ?
C3_5 C4_5 C17_5 107.8 . . ?
C4_5 C5_5 C6_5 116.6 . . ?
C4_5 C5_5 C20_5 118.9 . . ?
C6_5 C5_5 C20_5 118.4 . . ?
C5_5 C6_5 C7_5 121.5 . . ?
C5_5 C6_5 C1_5 120.4 . . ?
C7_5 C6_5 C1_5 108.5 . . ?
C22_5 C7_5 C6_5 120.3 . . ?
C22_5 C7_5 C8_5 120.3 . . ?
C6_5 C7_5 C8_5 108.2 . . ?
C25_5 C8_5 C9_5 119.9 . . ?
C25_5 C8_5 C7_5 120.0 . . ?
C9_5 C8_5 C7_5 107.1 . . ?
C10_5 C9_5 C8_5 120.7 . . ?
C10_5 C9_5 C1_5 119.3 . . ?
C8_5 C9_5 C1_5 108.4 . . ?
C9_5 C10_5 C11_5 120.7 . . ?
C9_5 C10_5 C27_5 119.4 . . ?
C11_5 C10_5 C27_5 108.5 . . ?
C12_5 C11_5 C29_5 120.7 . . ?
C12_5 C11_5 C10_5 121.0 . . ?
C29_5 C11_5 C10_5 108.3 . . ?
C11_5 C12_5 C13_5 116.6 . . ?
C11_5 C12_5 C2_5 118.5 . . ?
C13_5 C12_5 C2_5 118.6 . . ?
C12_5 C13_5 C14_5 121.5 . . ?
C12_5 C13_5 C31_5 120.8 . . ?
C14_5 C13_5 C31_5 108.0 . . ?
C15_5 C14_5 C13_5 120.0 . . ?
C15_5 C14_5 C33_5 119.8 . . ?
C13_5 C14_5 C33_5 108.5 . . ?
C14_5 C15_5 C3_5 120.0 . . ?
C14_5 C15_5 C16_5 119.8 . . ?
C3_5 C15_5 C16_5 108.5 . . ?
C35_5 C16_5 C17_5 120.2 . . ?
C35_5 C16_5 C15_5 120.3 . . ?
C17_5 C16_5 C15_5 106.4 . . ?
C18_5 C17_5 C4_5 120.3 . . ?
C18_5 C17_5 C16_5 119.2 . . ?
C4_5 C17_5 C16_5 108.9 . . ?
C17_5 C18_5 C37_5 121.1 . . ?
C17_5 C18_5 C19_5 118.9 . . ?
C37_5 C18_5 C19_5 108.4 . . ?
C20_5 C19_5 C39_5 121.0 . . ?
C20_5 C19_5 C18_5 122.2 . . ?
C39_5 C19_5 C18_5 108.3 . . ?
C19_5 C20_5 C21_5 116.0 . . ?
C19_5 C20_5 C5_5 118.3 . . ?
C21_5 C20_5 C5_5 119.0 . . ?
C41_5 C21_5 C20_5 121.5 . . ?
C41_5 C21_5 C22_5 108.3 . . ?
C20_5 C21_5 C22_5 121.0 . . ?
C7_5 C22_5 C21_5 119.6 . . ?
C7_5 C22_5 C23_5 120.0 . . ?
C21_5 C22_5 C23_5 108.3 . . ?
C24_5 C23_5 C22_5 120.3 . . ?
C24_5 C23_5 C42_5 120.1 . . ?
C22_5 C23_5 C42_5 106.9 . . ?
C23_5 C24_5 C45_5 119.6 . . ?
C23_5 C24_5 C25_5 119.3 . . ?
C45_5 C24_5 C25_5 108.3 . . ?
C8_5 C25_5 C26_5 119.5 . . ?
C8_5 C25_5 C24_5 120.1 . . ?
C26_5 C25_5 C24_5 108.3 . . ?
C27_5 C26_5 C25_5 120.7 . . ?
C27_5 C26_5 C46_5 119.4 . . ?
C25_5 C26_5 C46_5 107.5 . . ?
C26_5 C27_5 C28_5 120.6 . . ?
C26_5 C27_5 C10_5 119.9 . . ?
C28_5 C27_5 C10_5 106.9 . . ?
C48_5 C28_5 C27_5 120.0 . . ?
C48_5 C28_5 C29_5 119.6 . . ?
C27_5 C28_5 C29_5 108.8 . . ?
C30_5 C29_5 C11_5 121.9 . . ?
C30_5 C29_5 C28_5 121.4 . . ?
C11_5 C29_5 C28_5 107.5 . . ?
C29_5 C30_5 C31_5 116.1 . . ?
C29_5 C30_5 C50_5 119.0 . . ?
C31_5 C30_5 C50_5 118.2 . . ?
C30_5 C31_5 C13_5 121.1 . . ?
C30_5 C31_5 C32_5 121.5 . . ?
C13_5 C31_5 C32_5 108.3 . . ?
C52_5 C32_5 C31_5 119.7 . . ?
C52_5 C32_5 C33_5 119.9 . . ?
C31_5 C32_5 C33_5 108.2 . . ?
C34_5 C33_5 C14_5 121.2 . . ?
C34_5 C33_5 C32_5 119.5 . . ?
C14_5 C33_5 C32_5 106.9 . . ?
C33_5 C34_5 C54_5 120.5 . . ?
C33_5 C34_5 C35_5 118.2 . . ?
C54_5 C34_5 C35_5 107.8 . . ?
C16_5 C35_5 C36_5 119.8 . . ?
C16_5 C35_5 C34_5 120.6 . . ?
C36_5 C35_5 C34_5 107.8 . . ?
C37_5 C36_5 C55_5 120.0 . . ?
C37_5 C36_5 C35_5 119.9 . . ?
C55_5 C36_5 C35_5 107.6 . . ?
C36_5 C37_5 C18_5 119.7 . . ?
C36_5 C37_5 C38_5 119.3 . . ?
C18_5 C37_5 C38_5 108.1 . . ?
C57_5 C38_5 C37_5 120.9 . . ?
C57_5 C38_5 C39_5 119.3 . . ?
C37_5 C38_5 C39_5 107.8 . . ?
C40_5 C39_5 C19_5 121.8 . . ?
C40_5 C39_5 C38_5 121.7 . . ?
C19_5 C39_5 C38_5 107.4 . . ?
C39_5 C40_5 C41_5 116.2 . . ?
C39_5 C40_5 C59_5 118.6 . . ?
C41_5 C40_5 C59_5 118.3 . . ?
C21_5 C41_5 C40_5 121.0 . . ?
C21_5 C41_5 C42_5 108.3 . . ?
C40_5 C41_5 C42_5 121.4 . . ?
C43_5 C42_5 C41_5 120.2 . . ?
C43_5 C42_5 C23_5 119.7 . . ?
C41_5 C42_5 C23_5 108.2 . . ?
C42_5 C43_5 C44_5 120.4 . . ?
C42_5 C43_5 C60_5 119.5 . . ?
C44_5 C43_5 C60_5 108.6 . . ?
C45_5 C44_5 C62_5 119.5 . . ?
C45_5 C44_5 C43_5 120.5 . . ?
C62_5 C44_5 C43_5 106.9 . . ?
C44_5 C45_5 C46_5 120.4 . . ?
C44_5 C45_5 C24_5 119.7 . . ?
C46_5 C45_5 C24_5 107.8 . . ?
C47_5 C46_5 C45_5 120.2 . . ?
C47_5 C46_5 C26_5 119.0 . . ?
C45_5 C46_5 C26_5 108.0 . . ?
C46_5 C47_5 C48_5 120.9 . . ?
C46_5 C47_5 C63_5 119.5 . . ?
C48_5 C47_5 C63_5 107.2 . . ?
C28_5 C48_5 C47_5 120.2 . . ?
C28_5 C48_5 C49_5 119.7 . . ?
C47_5 C48_5 C49_5 108.3 . . ?
C50_5 C49_5 C64_5 121.2 . . ?
C50_5 C49_5 C48_5 121.7 . . ?
C64_5 C49_5 C48_5 107.8 . . ?
C51_5 C50_5 C49_5 116.7 . . ?
C51_5 C50_5 C30_5 118.9 . . ?
C49_5 C50_5 C30_5 118.3 . . ?
C50_5 C51_5 C66_5 120.9 . . ?
C50_5 C51_5 C52_5 121.5 . . ?
C66_5 C51_5 C52_5 108.1 . . ?
C32_5 C52_5 C53_5 119.8 . . ?
C32_5 C52_5 C51_5 119.8 . . ?
C53_5 C52_5 C51_5 108.8 . . ?
C54_5 C53_5 C52_5 120.9 . . ?
C54_5 C53_5 C67_5 119.7 . . ?
C52_5 C53_5 C67_5 106.5 . . ?
C53_5 C54_5 C34_5 119.3 . . ?
C53_5 C54_5 C55_5 120.9 . . ?
C34_5 C54_5 C55_5 108.5 . . ?
C56_5 C55_5 C54_5 119.4 . . ?
C56_5 C55_5 C36_5 119.8 . . ?
C54_5 C55_5 C36_5 108.2 . . ?
C55_5 C56_5 C57_5 119.9 . . ?
C55_5 C56_5 C68_5 120.1 . . ?
C57_5 C56_5 C68_5 107.3 . . ?
C38_5 C57_5 C56_5 120.1 . . ?
C38_5 C57_5 C58_5 120.4 . . ?
C56_5 C57_5 C58_5 108.1 . . ?
C59_5 C58_5 C69_5 121.5 . . ?
C59_5 C58_5 C57_5 120.8 . . ?
C69_5 C58_5 C57_5 108.5 . . ?
C58_5 C59_5 C60_5 115.8 . . ?
C58_5 C59_5 C40_5 118.7 . . ?
C60_5 C59_5 C40_5 118.7 . . ?
C59_5 C60_5 C61_5 121.2 . . ?
C59_5 C60_5 C43_5 121.6 . . ?
C61_5 C60_5 C43_5 107.9 . . ?
C70_5 C61_5 C60_5 121.4 . . ?
C70_5 C61_5 C62_5 121.1 . . ?
C60_5 C61_5 C62_5 108.1 . . ?
C63_5 C62_5 C44_5 120.3 . . ?
C63_5 C62_5 C61_5 119.5 . . ?
C44_5 C62_5 C61_5 108.5 . . ?
C62_5 C63_5 C64_5 119.9 . . ?
C62_5 C63_5 C47_5 120.1 . . ?
C64_5 C63_5 C47_5 108.4 . . ?
C65_5 C64_5 C63_5 122.1 . . ?
C65_5 C64_5 C49_5 120.6 . . ?
C63_5 C64_5 C49_5 108.3 . . ?
C64_5 C65_5 C66_5 116.7 . . ?
C64_5 C65_5 C70_5 118.3 . . ?
C66_5 C65_5 C70_5 118.5 . . ?
C65_5 C66_5 C67_5 121.5 . . ?
C65_5 C66_5 C51_5 121.2 . . ?
C67_5 C66_5 C51_5 107.7 . . ?
C68_5 C67_5 C66_5 119.9 . . ?
C68_5 C67_5 C53_5 119.4 . . ?
C66_5 C67_5 C53_5 108.9 . . ?
C67_5 C68_5 C69_5 119.6 . . ?
C67_5 C68_5 C56_5 120.6 . . ?
C69_5 C68_5 C56_5 108.4 . . ?
C70_5 C69_5 C58_5 121.2 . . ?
C70_5 C69_5 C68_5 121.4 . . ?
C58_5 C69_5 C68_5 107.6 . . ?
C69_5 C70_5 C61_5 116.2 . . ?
C69_5 C70_5 C65_5 118.8 . . ?
C61_5 C70_5 C65_5 118.9 . . ?
C2_6 C1_6 C6_6 121.6(6) . . ?
C2_6 C1_6 C9_6 121.0(7) . . ?
C6_6 C1_6 C9_6 108.2(6) . . ?
C1_6 C2_6 C3_6 115.9(6) . . ?
C1_6 C2_6 C12_6 119.5(6) . . ?
C3_6 C2_6 C12_6 118.0(6) . . ?
C2_6 C3_6 C4_6 121.4(6) . . ?
C2_6 C3_6 C15_6 122.1(6) . . ?
C4_6 C3_6 C15_6 107.5(6) . . ?
C5_6 C4_6 C3_6 121.3(6) . . ?
C5_6 C4_6 C17_6 121.7(6) . . ?
C3_6 C4_6 C17_6 108.2(6) . . ?
C4_6 C5_6 C6_6 116.2(6) . . ?
C4_6 C5_6 C20_6 118.8(6) . . ?
C6_6 C5_6 C20_6 118.2(6) . . ?
C1_6 C6_6 C5_6 121.2(6) . . ?
C1_6 C6_6 C7_6 108.0(6) . . ?
C5_6 C6_6 C7_6 121.5(7) . . ?
C22_6 C7_6 C8_6 120.1(6) . . ?
C22_6 C7_6 C6_6 119.3(7) . . ?
C8_6 C7_6 C6_6 108.8(6) . . ?
C25_6 C8_6 C7_6 119.9(7) . . ?
C25_6 C8_6 C9_6 121.1(7) . . ?
C7_6 C8_6 C9_6 106.6(6) . . ?
C10_6 C9_6 C1_6 120.1(7) . . ?
C10_6 C9_6 C8_6 119.7(7) . . ?
C1_6 C9_6 C8_6 108.4(6) . . ?
C9_6 C10_6 C11_6 119.2(6) . . ?
C9_6 C10_6 C27_6 120.0(7) . . ?
C11_6 C10_6 C27_6 108.8(6) . . ?
C12_6 C11_6 C10_6 122.4(7) . . ?
C12_6 C11_6 C29_6 120.8(7) . . ?
C10_6 C11_6 C29_6 107.9(6) . . ?
C13_6 C12_6 C11_6 116.8(7) . . ?
C13_6 C12_6 C2_6 118.6(6) . . ?
C11_6 C12_6 C2_6 117.4(6) . . ?
C12_6 C13_6 C31_6 121.0(6) . . ?
C12_6 C13_6 C14_6 122.3(7) . . ?
C31_6 C13_6 C14_6 108.0(7) . . ?
C15_6 C14_6 C33_6 120.4(7) . . ?
C15_6 C14_6 C13_6 119.0(7) . . ?
C33_6 C14_6 C13_6 108.8(6) . . ?
C14_6 C15_6 C16_6 119.5(7) . . ?
C14_6 C15_6 C3_6 119.6(6) . . ?
C16_6 C15_6 C3_6 109.5(6) . . ?
C35_6 C16_6 C15_6 121.6(7) . . ?
C35_6 C16_6 C17_6 118.6(7) . . ?
C15_6 C16_6 C17_6 107.1(6) . . ?
C18_6 C17_6 C16_6 121.7(7) . . ?
C18_6 C17_6 C4_6 118.8(7) . . ?
C16_6 C17_6 C4_6 107.8(6) . . ?
C17_6 C18_6 C19_6 120.2(7) . . ?
C17_6 C18_6 C37_6 118.0(7) . . ?
C19_6 C18_6 C37_6 109.0(6) . . ?
C18_6 C19_6 C20_6 121.7(7) . . ?
C18_6 C19_6 C39_6 108.8(7) . . ?
C20_6 C19_6 C39_6 121.1(6) . . ?
C21_6 C20_6 C19_6 116.1(7) . . ?
C21_6 C20_6 C5_6 119.0(7) . . ?
C19_6 C20_6 C5_6 118.4(6) . . ?
C20_6 C21_6 C41_6 121.0(7) . . ?
C20_6 C21_6 C22_6 121.8(7) . . ?
C41_6 C21_6 C22_6 108.2(6) . . ?
C7_6 C22_6 C21_6 119.9(6) . . ?
C7_6 C22_6 C23_6 119.5(7) . . ?
C21_6 C22_6 C23_6 109.3(7) . . ?
C24_6 C23_6 C42_6 119.9(6) . . ?
C24_6 C23_6 C22_6 119.5(7) . . ?
C42_6 C23_6 C22_6 106.8(6) . . ?
C23_6 C24_6 C25_6 119.8(7) . . ?
C23_6 C24_6 C45_6 119.8(7) . . ?
C25_6 C24_6 C45_6 109.2(7) . . ?
C8_6 C25_6 C24_6 121.2(7) . . ?
C8_6 C25_6 C26_6 120.0(7) . . ?
C24_6 C25_6 C26_6 106.4(7) . . ?
C27_6 C26_6 C46_6 119.7(7) . . ?
C27_6 C26_6 C25_6 119.1(7) . . ?
C46_6 C26_6 C25_6 108.9(7) . . ?
C26_6 C27_6 C28_6 120.5(7) . . ?
C26_6 C27_6 C10_6 120.1(7) . . ?
C28_6 C27_6 C10_6 106.5(6) . . ?
C48_6 C28_6 C27_6 119.0(7) . . ?
C48_6 C28_6 C29_6 119.5(7) . . ?
C27_6 C28_6 C29_6 109.7(6) . . ?
C30_6 C29_6 C28_6 121.6(7) . . ?
C30_6 C29_6 C11_6 121.2(7) . . ?
C28_6 C29_6 C11_6 107.1(7) . . ?
C29_6 C30_6 C31_6 115.6(7) . . ?
C29_6 C30_6 C50_6 118.3(7) . . ?
C31_6 C30_6 C50_6 119.9(7) . . ?
C30_6 C31_6 C13_6 121.9(7) . . ?
C30_6 C31_6 C32_6 120.1(7) . . ?
C13_6 C31_6 C32_6 107.8(6) . . ?
C52_6 C32_6 C33_6 121.0(8) . . ?
C52_6 C32_6 C31_6 120.0(7) . . ?
C33_6 C32_6 C31_6 107.8(6) . . ?
C34_6 C33_6 C14_6 119.7(7) . . ?
C34_6 C33_6 C32_6 120.0(7) . . ?
C14_6 C33_6 C32_6 107.5(7) . . ?
C33_6 C34_6 C35_6 120.1(7) . . ?
C33_6 C34_6 C54_6 119.1(7) . . ?
C35_6 C34_6 C54_6 108.3(7) . . ?
C16_6 C35_6 C36_6 121.2(7) . . ?
C16_6 C35_6 C34_6 118.7(7) . . ?
C36_6 C35_6 C34_6 107.9(7) . . ?
C37_6 C36_6 C35_6 119.3(7) . . ?
C37_6 C36_6 C55_6 119.6(7) . . ?
C35_6 C36_6 C55_6 108.2(7) . . ?
C36_6 C37_6 C18_6 121.3(7) . . ?
C36_6 C37_6 C38_6 121.1(7) . . ?
C18_6 C37_6 C38_6 106.1(7) . . ?
C57_6 C38_6 C39_6 119.4(7) . . ?
C57_6 C38_6 C37_6 118.7(7) . . ?
C39_6 C38_6 C37_6 109.1(6) . . ?
C40_6 C39_6 C19_6 121.4(7) . . ?
C40_6 C39_6 C38_6 122.3(7) . . ?
C19_6 C39_6 C38_6 107.0(6) . . ?
C41_6 C40_6 C39_6 115.9(7) . . ?
C41_6 C40_6 C59_6 119.3(6) . . ?
C39_6 C40_6 C59_6 118.5(7) . . ?
C40_6 C41_6 C21_6 121.7(6) . . ?
C40_6 C41_6 C42_6 120.1(6) . . ?
C21_6 C41_6 C42_6 107.6(7) . . ?
C43_6 C42_6 C23_6 121.3(7) . . ?
C43_6 C42_6 C41_6 120.1(7) . . ?
C23_6 C42_6 C41_6 108.1(6) . . ?
C42_6 C43_6 C60_6 120.8(7) . . ?
C42_6 C43_6 C44_6 119.4(7) . . ?
C60_6 C43_6 C44_6 108.0(6) . . ?
C45_6 C44_6 C62_6 120.2(7) . . ?
C45_6 C44_6 C43_6 120.4(7) . . ?
C62_6 C44_6 C43_6 106.8(6) . . ?
C44_6 C45_6 C46_6 120.1(7) . . ?
C44_6 C45_6 C24_6 119.1(7) . . ?
C46_6 C45_6 C24_6 107.2(6) . . ?
C47_6 C46_6 C26_6 119.9(7) . . ?
C47_6 C46_6 C45_6 119.6(7) . . ?
C26_6 C46_6 C45_6 108.3(6) . . ?
C46_6 C47_6 C48_6 119.8(7) . . ?
C46_6 C47_6 C63_6 119.7(7) . . ?
C48_6 C47_6 C63_6 107.4(6) . . ?
C28_6 C48_6 C47_6 121.0(7) . . ?
C28_6 C48_6 C49_6 119.5(6) . . ?
C47_6 C48_6 C49_6 108.8(6) . . ?
C50_6 C49_6 C64_6 122.2(7) . . ?
C50_6 C49_6 C48_6 121.2(7) . . ?
C64_6 C49_6 C48_6 108.1(6) . . ?
C49_6 C50_6 C51_6 115.6(7) . . ?
C49_6 C50_6 C30_6 119.7(7) . . ?
C51_6 C50_6 C30_6 118.5(6) . . ?
C66_6 C51_6 C50_6 120.6(6) . . ?
C66_6 C51_6 C52_6 109.6(7) . . ?
C50_6 C51_6 C52_6 120.7(7) . . ?
C32_6 C52_6 C51_6 120.5(7) . . ?
C32_6 C52_6 C53_6 119.9(7) . . ?
C51_6 C52_6 C53_6 107.3(7) . . ?
C54_6 C53_6 C67_6 120.6(8) . . ?
C54_6 C53_6 C52_6 119.0(7) . . ?
C67_6 C53_6 C52_6 107.1(6) . . ?
C53_6 C54_6 C55_6 119.1(7) . . ?
C53_6 C54_6 C34_6 121.0(8) . . ?
C55_6 C54_6 C34_6 107.5(7) . . ?
C56_6 C55_6 C54_6 120.0(7) . . ?
C56_6 C55_6 C36_6 119.4(7) . . ?
C54_6 C55_6 C36_6 108.1(7) . . ?
C55_6 C56_6 C57_6 120.4(7) . . ?
C55_6 C56_6 C68_6 121.0(7) . . ?
C57_6 C56_6 C68_6 106.8(7) . . ?
C38_6 C57_6 C56_6 120.8(7) . . ?
C38_6 C57_6 C58_6 119.6(7) . . ?
C56_6 C57_6 C58_6 107.9(6) . . ?
C59_6 C58_6 C69_6 121.3(7) . . ?
C59_6 C58_6 C57_6 121.6(7) . . ?
C69_6 C58_6 C57_6 108.1(7) . . ?
C60_6 C59_6 C58_6 116.1(7) . . ?
C60_6 C59_6 C40_6 118.4(7) . . ?
C58_6 C59_6 C40_6 118.3(7) . . ?
C59_6 C60_6 C61_6 121.2(7) . . ?
C59_6 C60_6 C43_6 121.0(7) . . ?
C61_6 C60_6 C43_6 108.7(6) . . ?
C70_6 C61_6 C60_6 121.7(6) . . ?
C70_6 C61_6 C62_6 121.5(6) . . ?
C60_6 C61_6 C62_6 107.7(6) . . ?
C63_6 C62_6 C61_6 119.7(6) . . ?
C63_6 C62_6 C44_6 119.7(7) . . ?
C61_6 C62_6 C44_6 108.9(6) . . ?
C62_6 C63_6 C47_6 120.7(6) . . ?
C62_6 C63_6 C64_6 120.4(6) . . ?
C47_6 C63_6 C64_6 107.5(6) . . ?
C49_6 C64_6 C65_6 121.1(6) . . ?
C49_6 C64_6 C63_6 108.1(6) . . ?
C65_6 C64_6 C63_6 120.3(6) . . ?
C66_6 C65_6 C64_6 115.2(7) . . ?
C66_6 C65_6 C70_6 119.8(6) . . ?
C64_6 C65_6 C70_6 118.5(6) . . ?
C65_6 C66_6 C51_6 122.3(7) . . ?
C65_6 C66_6 C67_6 120.6(7) . . ?
C51_6 C66_6 C67_6 107.4(6) . . ?
C68_6 C67_6 C53_6 120.5(7) . . ?
C68_6 C67_6 C66_6 119.6(7) . . ?
C53_6 C67_6 C66_6 108.5(7) . . ?
C67_6 C68_6 C69_6 119.7(7) . . ?
C67_6 C68_6 C56_6 118.8(7) . . ?
C69_6 C68_6 C56_6 109.3(7) . . ?
C68_6 C69_6 C70_6 122.2(7) . . ?
C68_6 C69_6 C58_6 107.9(6) . . ?
C70_6 C69_6 C58_6 121.4(7) . . ?
C61_6 C70_6 C69_6 116.0(7) . . ?
C61_6 C70_6 C65_6 119.3(6) . . ?
C69_6 C70_6 C65_6 117.7(7) . . ?
C6_7 C1_7 C2_7 120.9(7) . . ?
C6_7 C1_7 C9_7 107.7(7) . . ?
C2_7 C1_7 C9_7 122.3(7) . . ?
C3_7 C2_7 C1_7 116.8(7) . . ?
C3_7 C2_7 C12_7 117.1(7) . . ?
C1_7 C2_7 C12_7 118.1(7) . . ?
C2_7 C3_7 C15_7 121.2(7) . . ?
C2_7 C3_7 C4_7 121.0(8) . . ?
C15_7 C3_7 C4_7 109.4(7) . . ?
C3_7 C4_7 C5_7 121.8(7) . . ?
C3_7 C4_7 C17_7 107.8(7) . . ?
C5_7 C4_7 C17_7 120.0(7) . . ?
C6_7 C5_7 C4_7 114.8(7) . . ?
C6_7 C5_7 C20_7 120.0(7) . . ?
C4_7 C5_7 C20_7 118.6(7) . . ?
C7_7 C6_7 C5_7 118.9(8) . . ?
C7_7 C6_7 C1_7 109.4(7) . . ?
C5_7 C6_7 C1_7 122.2(8) . . ?
C22_7 C7_7 C6_7 122.7(7) . . ?
C22_7 C7_7 C8_7 118.6(7) . . ?
C6_7 C7_7 C8_7 107.2(7) . . ?
C25_7 C8_7 C9_7 122.5(7) . . ?
C25_7 C8_7 C7_7 118.3(7) . . ?
C9_7 C8_7 C7_7 106.1(7) . . ?
C10_7 C9_7 C8_7 120.1(8) . . ?
C10_7 C9_7 C1_7 119.6(8) . . ?
C8_7 C9_7 C1_7 109.7(7) . . ?
C9_7 C10_7 C11_7 120.4(7) . . ?
C9_7 C10_7 C27_7 119.4(8) . . ?
C11_7 C10_7 C27_7 108.0(7) . . ?
C12_7 C11_7 C29_7 120.2(7) . . ?
C12_7 C11_7 C10_7 122.3(7) . . ?
C29_7 C11_7 C10_7 107.9(7) . . ?
C13_7 C12_7 C11_7 117.2(7) . . ?
C13_7 C12_7 C2_7 119.0(7) . . ?
C11_7 C12_7 C2_7 116.9(7) . . ?
C12_7 C13_7 C31_7 121.7(7) . . ?
C12_7 C13_7 C14_7 122.0(7) . . ?
C31_7 C13_7 C14_7 108.0(7) . . ?
C15_7 C14_7 C33_7 120.7(7) . . ?
C15_7 C14_7 C13_7 118.5(7) . . ?
C33_7 C14_7 C13_7 109.4(7) . . ?
C14_7 C15_7 C3_7 121.8(7) . . ?
C14_7 C15_7 C16_7 119.2(7) . . ?
C3_7 C15_7 C16_7 107.2(7) . . ?
C35_7 C16_7 C17_7 121.6(8) . . ?
C35_7 C16_7 C15_7 119.1(7) . . ?
C17_7 C16_7 C15_7 107.1(7) . . ?
C18_7 C17_7 C16_7 120.5(8) . . ?
C18_7 C17_7 C4_7 119.7(7) . . ?
C16_7 C17_7 C4_7 108.5(7) . . ?
C17_7 C18_7 C19_7 121.0(7) . . ?
C17_7 C18_7 C37_7 119.6(7) . . ?
C19_7 C18_7 C37_7 108.0(7) . . ?
C20_7 C19_7 C18_7 122.0(7) . . ?
C20_7 C19_7 C39_7 120.5(7) . . ?
C18_7 C19_7 C39_7 109.3(7) . . ?
C19_7 C20_7 C21_7 116.1(7) . . ?
C19_7 C20_7 C5_7 118.4(7) . . ?
C21_7 C20_7 C5_7 119.0(7) . . ?
C41_7 C21_7 C20_7 122.2(7) . . ?
C41_7 C21_7 C22_7 109.5(7) . . ?
C20_7 C21_7 C22_7 119.2(7) . . ?
C7_7 C22_7 C23_7 121.8(7) . . ?
C7_7 C22_7 C21_7 119.9(7) . . ?
C23_7 C22_7 C21_7 106.6(7) . . ?
C24_7 C23_7 C22_7 119.7(8) . . ?
C24_7 C23_7 C42_7 120.0(8) . . ?
C22_7 C23_7 C42_7 108.0(7) . . ?
C25_7 C24_7 C23_7 118.9(8) . . ?
C25_7 C24_7 C45_7 110.4(8) . . ?
C23_7 C24_7 C45_7 117.8(8) . . ?
C8_7 C25_7 C24_7 122.8(8) . . ?
C8_7 C25_7 C26_7 116.9(7) . . ?
C24_7 C25_7 C26_7 108.2(7) . . ?
C27_7 C26_7 C46_7 119.7(8) . . ?
C27_7 C26_7 C25_7 120.7(7) . . ?
C46_7 C26_7 C25_7 107.1(7) . . ?
C26_7 C27_7 C10_7 120.4(7) . . ?
C26_7 C27_7 C28_7 120.1(7) . . ?
C10_7 C27_7 C28_7 107.0(7) . . ?
C48_7 C28_7 C29_7 119.9(7) . . ?
C48_7 C28_7 C27_7 119.7(7) . . ?
C29_7 C28_7 C27_7 107.9(7) . . ?
C30_7 C29_7 C11_7 121.3(7) . . ?
C30_7 C29_7 C28_7 121.7(7) . . ?
C11_7 C29_7 C28_7 109.2(7) . . ?
C31_7 C30_7 C29_7 117.1(7) . . ?
C31_7 C30_7 C50_7 117.7(7) . . ?
C29_7 C30_7 C50_7 118.5(7) . . ?
C30_7 C31_7 C32_7 122.4(7) . . ?
C30_7 C31_7 C13_7 120.5(7) . . ?
C32_7 C31_7 C13_7 107.1(7) . . ?
C52_7 C32_7 C31_7 119.8(7) . . ?
C52_7 C32_7 C33_7 119.9(7) . . ?
C31_7 C32_7 C33_7 109.5(7) . . ?
C34_7 C33_7 C14_7 120.6(8) . . ?
C34_7 C33_7 C32_7 120.0(8) . . ?
C14_7 C33_7 C32_7 106.1(7) . . ?
C33_7 C34_7 C35_7 120.5(8) . . ?
C33_7 C34_7 C54_7 121.0(8) . . ?
C35_7 C34_7 C54_7 106.4(7) . . ?
C16_7 C35_7 C34_7 119.9(7) . . ?
C16_7 C35_7 C36_7 118.2(8) . . ?
C34_7 C35_7 C36_7 109.3(7) . . ?
C37_7 C36_7 C55_7 119.4(8) . . ?
C37_7 C36_7 C35_7 120.9(7) . . ?
C55_7 C36_7 C35_7 106.8(7) . . ?
C36_7 C37_7 C38_7 121.2(8) . . ?
C36_7 C37_7 C18_7 119.2(7) . . ?
C38_7 C37_7 C18_7 106.7(7) . . ?
C57_7 C38_7 C37_7 120.0(7) . . ?
C57_7 C38_7 C39_7 119.8(7) . . ?
C37_7 C38_7 C39_7 109.0(7) . . ?
C40_7 C39_7 C19_7 121.6(7) . . ?
C40_7 C39_7 C38_7 122.2(7) . . ?
C19_7 C39_7 C38_7 107.0(7) . . ?
C39_7 C40_7 C41_7 117.1(7) . . ?
C39_7 C40_7 C59_7 117.8(7) . . ?
C41_7 C40_7 C59_7 118.0(7) . . ?
C21_7 C41_7 C40_7 120.2(7) . . ?
C21_7 C41_7 C42_7 108.6(7) . . ?
C40_7 C41_7 C42_7 121.6(7) . . ?
C43_7 C42_7 C41_7 120.4(8) . . ?
C43_7 C42_7 C23_7 120.2(7) . . ?
C41_7 C42_7 C23_7 107.3(7) . . ?
C42_7 C43_7 C60_7 119.4(8) . . ?
C42_7 C43_7 C44_7 119.5(8) . . ?
C60_7 C43_7 C44_7 108.9(7) . . ?
C45_7 C44_7 C62_7 123.3(8) . . ?
C45_7 C44_7 C43_7 119.3(8) . . ?
C62_7 C44_7 C43_7 105.8(7) . . ?
C44_7 C45_7 C24_7 123.2(8) . . ?
C44_7 C45_7 C46_7 118.4(8) . . ?
C24_7 C45_7 C46_7 105.8(7) . . ?
C47_7 C46_7 C26_7 120.7(8) . . ?
C47_7 C46_7 C45_7 118.3(7) . . ?
C26_7 C46_7 C45_7 108.5(7) . . ?
C46_7 C47_7 C48_7 120.1(7) . . ?
C46_7 C47_7 C63_7 120.7(7) . . ?
C48_7 C47_7 C63_7 107.0(7) . . ?
C28_7 C48_7 C47_7 119.6(7) . . ?
C28_7 C48_7 C49_7 119.8(7) . . ?
C47_7 C48_7 C49_7 109.3(7) . . ?
C64_7 C49_7 C50_7 122.0(7) . . ?
C64_7 C49_7 C48_7 107.7(7) . . ?
C50_7 C49_7 C48_7 121.2(7) . . ?
C51_7 C50_7 C49_7 116.5(7) . . ?
C51_7 C50_7 C30_7 118.2(7) . . ?
C49_7 C50_7 C30_7 118.3(7) . . ?
C50_7 C51_7 C52_7 122.2(7) . . ?
C50_7 C51_7 C66_7 120.5(8) . . ?
C52_7 C51_7 C66_7 108.0(7) . . ?
C32_7 C52_7 C51_7 119.6(7) . . ?
C32_7 C52_7 C53_7 121.2(8) . . ?
C51_7 C52_7 C53_7 108.1(7) . . ?
C67_7 C53_7 C54_7 120.1(7) . . ?
C67_7 C53_7 C52_7 107.2(7) . . ?
C54_7 C53_7 C52_7 118.3(8) . . ?
C53_7 C54_7 C55_7 119.3(7) . . ?
C53_7 C54_7 C34_7 119.5(7) . . ?
C55_7 C54_7 C34_7 109.6(7) . . ?
C56_7 C55_7 C54_7 120.1(7) . . ?
C56_7 C55_7 C36_7 119.5(8) . . ?
C54_7 C55_7 C36_7 108.0(7) . . ?
C55_7 C56_7 C68_7 119.0(7) . . ?
C55_7 C56_7 C57_7 119.3(7) . . ?
C68_7 C56_7 C57_7 108.3(7) . . ?
C38_7 C57_7 C56_7 120.6(7) . . ?
C38_7 C57_7 C58_7 119.0(7) . . ?
C56_7 C57_7 C58_7 109.2(7) . . ?
C59_7 C58_7 C57_7 122.5(7) . . ?
C59_7 C58_7 C69_7 120.5(7) . . ?
C57_7 C58_7 C69_7 106.9(7) . . ?
C58_7 C59_7 C60_7 116.7(7) . . ?
C58_7 C59_7 C40_7 118.4(7) . . ?
C60_7 C59_7 C40_7 117.9(7) . . ?
C43_7 C60_7 C59_7 122.3(8) . . ?
C43_7 C60_7 C61_7 109.1(7) . . ?
C59_7 C60_7 C61_7 120.3(8) . . ?
C70_7 C61_7 C62_7 123.9(7) . . ?
C70_7 C61_7 C60_7 121.2(7) . . ?
C62_7 C61_7 C60_7 104.5(7) . . ?
C63_7 C62_7 C44_7 118.5(7) . . ?
C63_7 C62_7 C61_7 118.5(8) . . ?
C44_7 C62_7 C61_7 111.7(7) . . ?
C62_7 C63_7 C47_7 120.9(8) . . ?
C62_7 C63_7 C64_7 119.2(7) . . ?
C47_7 C63_7 C64_7 107.9(7) . . ?
C65_7 C64_7 C49_7 120.9(8) . . ?
C65_7 C64_7 C63_7 122.3(7) . . ?
C49_7 C64_7 C63_7 108.1(7) . . ?
C64_7 C65_7 C66_7 116.8(7) . . ?
C64_7 C65_7 C70_7 117.6(8) . . ?
C66_7 C65_7 C70_7 118.8(7) . . ?
C65_7 C66_7 C51_7 121.0(7) . . ?
C65_7 C66_7 C67_7 122.2(7) . . ?
C51_7 C66_7 C67_7 106.7(8) . . ?
C68_7 C67_7 C53_7 120.4(7) . . ?
C68_7 C67_7 C66_7 119.0(8) . . ?
C53_7 C67_7 C66_7 109.9(7) . . ?
C67_7 C68_7 C56_7 121.0(7) . . ?
C67_7 C68_7 C69_7 119.2(7) . . ?
C56_7 C68_7 C69_7 108.6(7) . . ?
C70_7 C69_7 C58_7 121.2(8) . . ?
C70_7 C69_7 C68_7 122.7(7) . . ?
C58_7 C69_7 C68_7 107.0(7) . . ?
C61_7 C70_7 C69_7 117.6(8) . . ?
C61_7 C70_7 C65_7 118.3(7) . . ?
C69_7 C70_7 C65_7 117.9(8) . . ?
C2_8 C1_8 C6_8 121.8 . . ?
C2_8 C1_8 C9_8 120.7 . . ?
C6_8 C1_8 C9_8 107.8 . . ?
C1_8 C2_8 C3_8 115.8 . . ?
C1_8 C2_8 C12_8 119.6 . . ?
C3_8 C2_8 C12_8 118.4 . . ?
C2_8 C3_8 C4_8 121.1 . . ?
C2_8 C3_8 C15_8 121.3 . . ?
C4_8 C3_8 C15_8 108.3 . . ?
C5_8 C4_8 C3_8 121.3 . . ?
C5_8 C4_8 C17_8 121.1 . . ?
C3_8 C4_8 C17_8 107.9 . . ?
C4_8 C5_8 C6_8 116.6 . . ?
C4_8 C5_8 C20_8 118.8 . . ?
C6_8 C5_8 C20_8 118.4 . . ?
C5_8 C6_8 C7_8 121.5 . . ?
C5_8 C6_8 C1_8 120.4 . . ?
C7_8 C6_8 C1_8 108.5 . . ?
C22_8 C7_8 C6_8 120.3 . . ?
C22_8 C7_8 C8_8 120.2 . . ?
C6_8 C7_8 C8_8 108.2 . . ?
C25_8 C8_8 C9_8 119.9 . . ?
C25_8 C8_8 C7_8 120.0 . . ?
C9_8 C8_8 C7_8 107.1 . . ?
C10_8 C9_8 C8_8 120.7 . . ?
C10_8 C9_8 C1_8 119.2 . . ?
C8_8 C9_8 C1_8 108.4 . . ?
C9_8 C10_8 C11_8 120.8 . . ?
C9_8 C10_8 C27_8 119.4 . . ?
C11_8 C10_8 C27_8 108.5 . . ?
C12_8 C11_8 C29_8 120.7 . . ?
C12_8 C11_8 C10_8 121.0 . . ?
C29_8 C11_8 C10_8 108.3 . . ?
C11_8 C12_8 C13_8 116.6 . . ?
C11_8 C12_8 C2_8 118.4 . . ?
C13_8 C12_8 C2_8 118.6 . . ?
C12_8 C13_8 C14_8 121.5 . . ?
C12_8 C13_8 C31_8 120.9 . . ?
C14_8 C13_8 C31_8 108.0 . . ?
C15_8 C14_8 C13_8 120.0 . . ?
C15_8 C14_8 C33_8 119.9 . . ?
C13_8 C14_8 C33_8 108.5 . . ?
C14_8 C15_8 C3_8 120.0 . . ?
C14_8 C15_8 C16_8 119.8 . . ?
C3_8 C15_8 C16_8 108.5 . . ?
C35_8 C16_8 C17_8 120.2 . . ?
C35_8 C16_8 C15_8 120.3 . . ?
C17_8 C16_8 C15_8 106.4 . . ?
C18_8 C17_8 C4_8 120.3 . . ?
C18_8 C17_8 C16_8 119.3 . . ?
C4_8 C17_8 C16_8 108.9 . . ?
C17_8 C18_8 C37_8 121.0 . . ?
C17_8 C18_8 C19_8 118.9 . . ?
C37_8 C18_8 C19_8 108.4 . . ?
C20_8 C19_8 C39_8 121.1 . . ?
C20_8 C19_8 C18_8 122.2 . . ?
C39_8 C19_8 C18_8 108.2 . . ?
C19_8 C20_8 C21_8 116.0 . . ?
C19_8 C20_8 C5_8 118.4 . . ?
C21_8 C20_8 C5_8 118.9 . . ?
C41_8 C21_8 C20_8 121.5 . . ?
C41_8 C21_8 C22_8 108.3 . . ?
C20_8 C21_8 C22_8 121.1 . . ?
C7_8 C22_8 C21_8 119.6 . . ?
C7_8 C22_8 C23_8 120.0 . . ?
C21_8 C22_8 C23_8 108.3 . . ?
C24_8 C23_8 C22_8 120.3 . . ?
C24_8 C23_8 C42_8 120.1 . . ?
C22_8 C23_8 C42_8 107.0 . . ?
C23_8 C24_8 C45_8 119.6 . . ?
C23_8 C24_8 C25_8 119.4 . . ?
C45_8 C24_8 C25_8 108.3 . . ?
C8_8 C25_8 C26_8 119.5 . . ?
C8_8 C25_8 C24_8 120.1 . . ?
C26_8 C25_8 C24_8 108.3 . . ?
C27_8 C26_8 C25_8 120.7 . . ?
C27_8 C26_8 C46_8 119.3 . . ?
C25_8 C26_8 C46_8 107.5 . . ?
C26_8 C27_8 C28_8 120.6 . . ?
C26_8 C27_8 C10_8 119.8 . . ?
C28_8 C27_8 C10_8 106.9 . . ?
C48_8 C28_8 C27_8 120.0 . . ?
C48_8 C28_8 C29_8 119.6 . . ?
C27_8 C28_8 C29_8 108.8 . . ?
C30_8 C29_8 C11_8 121.9 . . ?
C30_8 C29_8 C28_8 121.4 . . ?
C11_8 C29_8 C28_8 107.5 . . ?
C29_8 C30_8 C31_8 116.1 . . ?
C29_8 C30_8 C50_8 119.0 . . ?
C31_8 C30_8 C50_8 118.2 . . ?
C30_8 C31_8 C32_8 121.6 . . ?
C30_8 C31_8 C13_8 121.0 . . ?
C32_8 C31_8 C13_8 108.3 . . ?
C52_8 C32_8 C31_8 119.7 . . ?
C52_8 C32_8 C33_8 119.9 . . ?
C31_8 C32_8 C33_8 108.2 . . ?
C34_8 C33_8 C14_8 121.2 . . ?
C34_8 C33_8 C32_8 119.5 . . ?
C14_8 C33_8 C32_8 107.0 . . ?
C33_8 C34_8 C54_8 120.5 . . ?
C33_8 C34_8 C35_8 118.2 . . ?
C54_8 C34_8 C35_8 107.8 . . ?
C16_8 C35_8 C36_8 119.9 . . ?
C16_8 C35_8 C34_8 120.7 . . ?
C36_8 C35_8 C34_8 107.8 . . ?
C37_8 C36_8 C55_8 120.0 . . ?
C37_8 C36_8 C35_8 119.9 . . ?
C55_8 C36_8 C35_8 107.6 . . ?
C36_8 C37_8 C18_8 119.7 . . ?
C36_8 C37_8 C38_8 119.3 . . ?
C18_8 C37_8 C38_8 108.1 . . ?
C57_8 C38_8 C37_8 120.9 . . ?
C57_8 C38_8 C39_8 119.3 . . ?
C37_8 C38_8 C39_8 107.8 . . ?
C40_8 C39_8 C19_8 121.8 . . ?
C40_8 C39_8 C38_8 121.8 . . ?
C19_8 C39_8 C38_8 107.5 . . ?
C39_8 C40_8 C41_8 116.2 . . ?
C39_8 C40_8 C59_8 118.5 . . ?
C41_8 C40_8 C59_8 118.3 . . ?
C21_8 C41_8 C40_8 121.0 . . ?
C21_8 C41_8 C42_8 108.4 . . ?
C40_8 C41_8 C42_8 121.4 . . ?
C43_8 C42_8 C41_8 120.3 . . ?
C43_8 C42_8 C23_8 119.7 . . ?
C41_8 C42_8 C23_8 108.1 . . ?
C42_8 C43_8 C44_8 120.5 . . ?
C42_8 C43_8 C60_8 119.5 . . ?
C44_8 C43_8 C60_8 108.6 . . ?
C45_8 C44_8 C62_8 119.5 . . ?
C45_8 C44_8 C43_8 120.5 . . ?
C62_8 C44_8 C43_8 106.9 . . ?
C44_8 C45_8 C46_8 120.5 . . ?
C44_8 C45_8 C24_8 119.6 . . ?
C46_8 C45_8 C24_8 107.8 . . ?
C47_8 C46_8 C45_8 120.1 . . ?
C47_8 C46_8 C26_8 119.0 . . ?
C45_8 C46_8 C26_8 108.1 . . ?
C46_8 C47_8 C48_8 120.8 . . ?
C46_8 C47_8 C63_8 119.6 . . ?
C48_8 C47_8 C63_8 107.2 . . ?
C28_8 C48_8 C47_8 120.2 . . ?
C28_8 C48_8 C49_8 119.7 . . ?
C47_8 C48_8 C49_8 108.3 . . ?
C50_8 C49_8 C64_8 121.3 . . ?
C50_8 C49_8 C48_8 121.7 . . ?
C64_8 C49_8 C48_8 107.8 . . ?
C51_8 C50_8 C49_8 116.7 . . ?
C51_8 C50_8 C30_8 119.0 . . ?
C49_8 C50_8 C30_8 118.3 . . ?
C50_8 C51_8 C66_8 120.9 . . ?
C50_8 C51_8 C52_8 121.5 . . ?
C66_8 C51_8 C52_8 108.1 . . ?
C32_8 C52_8 C53_8 119.8 . . ?
C32_8 C52_8 C51_8 119.8 . . ?
C53_8 C52_8 C51_8 108.8 . . ?
C54_8 C53_8 C52_8 120.9 . . ?
C54_8 C53_8 C67_8 119.7 . . ?
C52_8 C53_8 C67_8 106.5 . . ?
C53_8 C54_8 C34_8 119.3 . . ?
C53_8 C54_8 C55_8 120.9 . . ?
C34_8 C54_8 C55_8 108.5 . . ?
C56_8 C55_8 C54_8 119.4 . . ?
C56_8 C55_8 C36_8 119.8 . . ?
C54_8 C55_8 C36_8 108.3 . . ?
C55_8 C56_8 C57_8 119.9 . . ?
C55_8 C56_8 C68_8 120.1 . . ?
C57_8 C56_8 C68_8 107.3 . . ?
C38_8 C57_8 C56_8 120.2 . . ?
C38_8 C57_8 C58_8 120.5 . . ?
C56_8 C57_8 C58_8 108.1 . . ?
C59_8 C58_8 C69_8 121.5 . . ?
C59_8 C58_8 C57_8 120.7 . . ?
C69_8 C58_8 C57_8 108.6 . . ?
C58_8 C59_8 C60_8 115.8 . . ?
C58_8 C59_8 C40_8 118.8 . . ?
C60_8 C59_8 C40_8 118.7 . . ?
C59_8 C60_8 C61_8 121.2 . . ?
C59_8 C60_8 C43_8 121.6 . . ?
C61_8 C60_8 C43_8 107.8 . . ?
C70_8 C61_8 C60_8 121.4 . . ?
C70_8 C61_8 C62_8 121.1 . . ?
C60_8 C61_8 C62_8 108.2 . . ?
C63_8 C62_8 C44_8 120.2 . . ?
C63_8 C62_8 C61_8 119.6 . . ?
C44_8 C62_8 C61_8 108.4 . . ?
C62_8 C63_8 C64_8 119.9 . . ?
C62_8 C63_8 C47_8 120.1 . . ?
C64_8 C63_8 C47_8 108.4 . . ?
C65_8 C64_8 C63_8 122.0 . . ?
C65_8 C64_8 C49_8 120.6 . . ?
C63_8 C64_8 C49_8 108.3 . . ?
C66_8 C65_8 C64_8 116.6 . . ?
C66_8 C65_8 C70_8 118.5 . . ?
C64_8 C65_8 C70_8 118.3 . . ?
C65_8 C66_8 C67_8 121.5 . . ?
C65_8 C66_8 C51_8 121.2 . . ?
C67_8 C66_8 C51_8 107.7 . . ?
C68_8 C67_8 C66_8 120.0 . . ?
C68_8 C67_8 C53_8 119.3 . . ?
C66_8 C67_8 C53_8 108.8 . . ?
C67_8 C68_8 C69_8 119.6 . . ?
C67_8 C68_8 C56_8 120.6 . . ?
C69_8 C68_8 C56_8 108.4 . . ?
C70_8 C69_8 C58_8 121.2 . . ?
C70_8 C69_8 C68_8 121.4 . . ?
C58_8 C69_8 C68_8 107.7 . . ?
C69_8 C70_8 C61_8 116.1 . . ?
C69_8 C70_8 C65_8 118.8 . . ?
C61_8 C70_8 C65_8 118.9 . . ?
C2_9 C1_9 C6_9 121.9 . . ?
C2_9 C1_9 C9_9 120.7 . . ?
C6_9 C1_9 C9_9 107.8 . . ?
C1_9 C2_9 C3_9 115.8 . . ?
C1_9 C2_9 C12_9 119.7 . . ?
C3_9 C2_9 C12_9 118.4 . . ?
C2_9 C3_9 C4_9 121.0 . . ?
C2_9 C3_9 C15_9 121.4 . . ?
C4_9 C3_9 C15_9 108.3 . . ?
C5_9 C4_9 C3_9 121.3 . . ?
C5_9 C4_9 C17_9 121.1 . . ?
C3_9 C4_9 C17_9 107.8 . . ?
C4_9 C5_9 C6_9 116.6 . . ?
C4_9 C5_9 C20_9 118.9 . . ?
C6_9 C5_9 C20_9 118.4 . . ?
C5_9 C6_9 C7_9 121.5 . . ?
C5_9 C6_9 C1_9 120.4 . . ?
C7_9 C6_9 C1_9 108.5 . . ?
C22_9 C7_9 C6_9 120.3 . . ?
C22_9 C7_9 C8_9 120.3 . . ?
C6_9 C7_9 C8_9 108.2 . . ?
C25_9 C8_9 C9_9 119.9 . . ?
C25_9 C8_9 C7_9 120.0 . . ?
C9_9 C8_9 C7_9 107.2 . . ?
C10_9 C9_9 C8_9 120.7 . . ?
C10_9 C9_9 C1_9 119.2 . . ?
C8_9 C9_9 C1_9 108.3 . . ?
C9_9 C10_9 C11_9 120.7 . . ?
C9_9 C10_9 C27_9 119.4 . . ?
C11_9 C10_9 C27_9 108.5 . . ?
C12_9 C11_9 C29_9 120.7 . . ?
C12_9 C11_9 C10_9 121.0 . . ?
C29_9 C11_9 C10_9 108.4 . . ?
C11_9 C12_9 C13_9 116.6 . . ?
C11_9 C12_9 C2_9 118.4 . . ?
C13_9 C12_9 C2_9 118.6 . . ?
C12_9 C13_9 C14_9 121.5 . . ?
C12_9 C13_9 C31_9 120.9 . . ?
C14_9 C13_9 C31_9 108.0 . . ?
C15_9 C14_9 C13_9 119.9 . . ?
C15_9 C14_9 C33_9 119.9 . . ?
C13_9 C14_9 C33_9 108.5 . . ?
C14_9 C15_9 C3_9 120.0 . . ?
C14_9 C15_9 C16_9 119.8 . . ?
C3_9 C15_9 C16_9 108.5 . . ?
C35_9 C16_9 C17_9 120.2 . . ?
C35_9 C16_9 C15_9 120.3 . . ?
C17_9 C16_9 C15_9 106.5 . . ?
C18_9 C17_9 C4_9 120.3 . . ?
C18_9 C17_9 C16_9 119.3 . . ?
C4_9 C17_9 C16_9 108.8 . . ?
C17_9 C18_9 C37_9 121.0 . . ?
C17_9 C18_9 C19_9 118.9 . . ?
C37_9 C18_9 C19_9 108.4 . . ?
C20_9 C19_9 C39_9 121.1 . . ?
C20_9 C19_9 C18_9 122.2 . . ?
C39_9 C19_9 C18_9 108.3 . . ?
C19_9 C20_9 C21_9 116.0 . . ?
C19_9 C20_9 C5_9 118.3 . . ?
C21_9 C20_9 C5_9 118.9 . . ?
C41_9 C21_9 C20_9 121.5 . . ?
C41_9 C21_9 C22_9 108.3 . . ?
C20_9 C21_9 C22_9 121.0 . . ?
C7_9 C22_9 C21_9 119.6 . . ?
C7_9 C22_9 C23_9 120.0 . . ?
C21_9 C22_9 C23_9 108.3 . . ?
C24_9 C23_9 C22_9 120.3 . . ?
C24_9 C23_9 C42_9 120.1 . . ?
C22_9 C23_9 C42_9 106.9 . . ?
C23_9 C24_9 C45_9 119.5 . . ?
C23_9 C24_9 C25_9 119.4 . . ?
C45_9 C24_9 C25_9 108.3 . . ?
C8_9 C25_9 C26_9 119.5 . . ?
C8_9 C25_9 C24_9 120.1 . . ?
C26_9 C25_9 C24_9 108.3 . . ?
C27_9 C26_9 C25_9 120.7 . . ?
C27_9 C26_9 C46_9 119.4 . . ?
C25_9 C26_9 C46_9 107.5 . . ?
C26_9 C27_9 C28_9 120.6 . . ?
C26_9 C27_9 C10_9 119.8 . . ?
C28_9 C27_9 C10_9 106.9 . . ?
C48_9 C28_9 C27_9 120.0 . . ?
C48_9 C28_9 C29_9 119.5 . . ?
C27_9 C28_9 C29_9 108.9 . . ?
C30_9 C29_9 C11_9 121.9 . . ?
C30_9 C29_9 C28_9 121.5 . . ?
C11_9 C29_9 C28_9 107.4 . . ?
C29_9 C30_9 C31_9 116.1 . . ?
C29_9 C30_9 C50_9 119.0 . . ?
C31_9 C30_9 C50_9 118.2 . . ?
C30_9 C31_9 C13_9 121.0 . . ?
C30_9 C31_9 C32_9 121.6 . . ?
C13_9 C31_9 C32_9 108.3 . . ?
C52_9 C32_9 C31_9 119.7 . . ?
C52_9 C32_9 C33_9 119.9 . . ?
C31_9 C32_9 C33_9 108.2 . . ?
C34_9 C33_9 C14_9 121.2 . . ?
C34_9 C33_9 C32_9 119.5 . . ?
C14_9 C33_9 C32_9 107.0 . . ?
C33_9 C34_9 C54_9 120.5 . . ?
C33_9 C34_9 C35_9 118.3 . . ?
C54_9 C34_9 C35_9 107.8 . . ?
C16_9 C35_9 C36_9 119.8 . . ?
C16_9 C35_9 C34_9 120.6 . . ?
C36_9 C35_9 C34_9 107.8 . . ?
C37_9 C36_9 C55_9 120.0 . . ?
C37_9 C36_9 C35_9 119.9 . . ?
C55_9 C36_9 C35_9 107.6 . . ?
C36_9 C37_9 C18_9 119.7 . . ?
C36_9 C37_9 C38_9 119.3 . . ?
C18_9 C37_9 C38_9 108.0 . . ?
C57_9 C38_9 C37_9 120.8 . . ?
C57_9 C38_9 C39_9 119.4 . . ?
C37_9 C38_9 C39_9 107.8 . . ?
C40_9 C39_9 C19_9 121.8 . . ?
C40_9 C39_9 C38_9 121.7 . . ?
C19_9 C39_9 C38_9 107.4 . . ?
C39_9 C40_9 C41_9 116.2 . . ?
C39_9 C40_9 C59_9 118.6 . . ?
C41_9 C40_9 C59_9 118.3 . . ?
C21_9 C41_9 C40_9 121.0 . . ?
C21_9 C41_9 C42_9 108.4 . . ?
C40_9 C41_9 C42_9 121.4 . . ?
C43_9 C42_9 C41_9 120.2 . . ?
C43_9 C42_9 C23_9 119.7 . . ?
C41_9 C42_9 C23_9 108.1 . . ?
C42_9 C43_9 C44_9 120.4 . . ?
C42_9 C43_9 C60_9 119.5 . . ?
C44_9 C43_9 C60_9 108.6 . . ?
C45_9 C44_9 C62_9 119.5 . . ?
C45_9 C44_9 C43_9 120.5 . . ?
C62_9 C44_9 C43_9 106.9 . . ?
C44_9 C45_9 C46_9 120.4 . . ?
C44_9 C45_9 C24_9 119.7 . . ?
C46_9 C45_9 C24_9 107.8 . . ?
C47_9 C46_9 C45_9 120.1 . . ?
C47_9 C46_9 C26_9 119.0 . . ?
C45_9 C46_9 C26_9 108.0 . . ?
C46_9 C47_9 C48_9 120.8 . . ?
C46_9 C47_9 C63_9 119.6 . . ?
C48_9 C47_9 C63_9 107.2 . . ?
C28_9 C48_9 C47_9 120.2 . . ?
C28_9 C48_9 C49_9 119.7 . . ?
C47_9 C48_9 C49_9 108.3 . . ?
C50_9 C49_9 C64_9 121.3 . . ?
C50_9 C49_9 C48_9 121.6 . . ?
C64_9 C49_9 C48_9 107.8 . . ?
C51_9 C50_9 C49_9 116.7 . . ?
C51_9 C50_9 C30_9 118.9 . . ?
C49_9 C50_9 C30_9 118.4 . . ?
C50_9 C51_9 C66_9 120.9 . . ?
C50_9 C51_9 C52_9 121.6 . . ?
C66_9 C51_9 C52_9 108.1 . . ?
C32_9 C52_9 C53_9 119.8 . . ?
C32_9 C52_9 C51_9 119.8 . . ?
C53_9 C52_9 C51_9 108.8 . . ?
C54_9 C53_9 C52_9 120.9 . . ?
C54_9 C53_9 C67_9 119.7 . . ?
C52_9 C53_9 C67_9 106.5 . . ?
C53_9 C54_9 C34_9 119.3 . . ?
C53_9 C54_9 C55_9 120.9 . . ?
C34_9 C54_9 C55_9 108.5 . . ?
C56_9 C55_9 C54_9 119.4 . . ?
C56_9 C55_9 C36_9 119.8 . . ?
C54_9 C55_9 C36_9 108.2 . . ?
C55_9 C56_9 C57_9 119.9 . . ?
C55_9 C56_9 C68_9 120.1 . . ?
C57_9 C56_9 C68_9 107.3 . . ?
C38_9 C57_9 C56_9 120.1 . . ?
C38_9 C57_9 C58_9 120.5 . . ?
C56_9 C57_9 C58_9 108.1 . . ?
C59_9 C58_9 C69_9 121.4 . . ?
C59_9 C58_9 C57_9 120.7 . . ?
C69_9 C58_9 C57_9 108.6 . . ?
C58_9 C59_9 C60_9 115.9 . . ?
C58_9 C59_9 C40_9 118.7 . . ?
C60_9 C59_9 C40_9 118.7 . . ?
C59_9 C60_9 C61_9 121.2 . . ?
C59_9 C60_9 C43_9 121.6 . . ?
C61_9 C60_9 C43_9 107.9 . . ?
C70_9 C61_9 C60_9 121.4 . . ?
C70_9 C61_9 C62_9 121.1 . . ?
C60_9 C61_9 C62_9 108.1 . . ?
C63_9 C62_9 C44_9 120.3 . . ?
C63_9 C62_9 C61_9 119.5 . . ?
C44_9 C62_9 C61_9 108.4 . . ?
C62_9 C63_9 C64_9 119.9 . . ?
C62_9 C63_9 C47_9 120.1 . . ?
C64_9 C63_9 C47_9 108.4 . . ?
C65_9 C64_9 C63_9 122.1 . . ?
C65_9 C64_9 C49_9 120.6 . . ?
C63_9 C64_9 C49_9 108.3 . . ?
C66_9 C65_9 C64_9 116.7 . . ?
C66_9 C65_9 C70_9 118.5 . . ?
C64_9 C65_9 C70_9 118.3 . . ?
C65_9 C66_9 C67_9 121.5 . . ?
C65_9 C66_9 C51_9 121.3 . . ?
C67_9 C66_9 C51_9 107.7 . . ?
C68_9 C67_9 C66_9 120.0 . . ?
C68_9 C67_9 C53_9 119.3 . . ?
C66_9 C67_9 C53_9 108.9 . . ?
C67_9 C68_9 C69_9 119.6 . . ?
C67_9 C68_9 C56_9 120.6 . . ?
C69_9 C68_9 C56_9 108.4 . . ?
C70_9 C69_9 C58_9 121.2 . . ?
C70_9 C69_9 C68_9 121.4 . . ?
C58_9 C69_9 C68_9 107.6 . . ?
C69_9 C70_9 C61_9 116.2 . . ?
C69_9 C70_9 C65_9 118.8 . . ?
C61_9 C70_9 C65_9 118.9 . . ?
C2_10 C1_10 C6_10 120.8(6) . . ?
C2_10 C1_10 C9_10 122.1(7) . . ?
C6_10 C1_10 C9_10 106.4(7) . . ?
C3_10 C2_10 C1_10 117.2(7) . . ?
C3_10 C2_10 C12_10 117.1(7) . . ?
C1_10 C2_10 C12_10 118.9(7) . . ?
C2_10 C3_10 C4_10 120.6(7) . . ?
C2_10 C3_10 C15_10 123.3(7) . . ?
C4_10 C3_10 C15_10 107.6(6) . . ?
C5_10 C4_10 C3_10 121.2(7) . . ?
C5_10 C4_10 C17_10 122.0(6) . . ?
C3_10 C4_10 C17_10 107.8(6) . . ?
C6_10 C5_10 C4_10 117.2(6) . . ?
C6_10 C5_10 C20_10 117.5(6) . . ?
C4_10 C5_10 C20_10 118.1(6) . . ?
C5_10 C6_10 C1_10 120.6(7) . . ?
C5_10 C6_10 C7_10 123.0(7) . . ?
C1_10 C6_10 C7_10 108.2(6) . . ?
C22_10 C7_10 C8_10 121.2(7) . . ?
C22_10 C7_10 C6_10 117.8(6) . . ?
C8_10 C7_10 C6_10 108.1(6) . . ?
C9_10 C8_10 C25_10 120.2(6) . . ?
C9_10 C8_10 C7_10 107.9(6) . . ?
C25_10 C8_10 C7_10 118.7(7) . . ?
C10_10 C9_10 C8_10 120.8(7) . . ?
C10_10 C9_10 C1_10 119.1(7) . . ?
C8_10 C9_10 C1_10 109.4(6) . . ?
C9_10 C10_10 C27_10 119.6(7) . . ?
C9_10 C10_10 C11_10 119.6(7) . . ?
C27_10 C10_10 C11_10 109.5(7) . . ?
C12_10 C11_10 C10_10 122.8(7) . . ?
C12_10 C11_10 C29_10 120.4(7) . . ?
C10_10 C11_10 C29_10 106.9(6) . . ?
C13_10 C12_10 C11_10 117.2(7) . . ?
C13_10 C12_10 C2_10 119.3(7) . . ?
C11_10 C12_10 C2_10 117.4(7) . . ?
C12_10 C13_10 C31_10 120.8(7) . . ?
C12_10 C13_10 C14_10 121.4(7) . . ?
C31_10 C13_10 C14_10 107.4(7) . . ?
C15_10 C14_10 C33_10 119.5(7) . . ?
C15_10 C14_10 C13_10 120.3(7) . . ?
C33_10 C14_10 C13_10 109.3(6) . . ?
C14_10 C15_10 C16_10 120.8(7) . . ?
C14_10 C15_10 C3_10 118.3(7) . . ?
C16_10 C15_10 C3_10 108.8(6) . . ?
C35_10 C16_10 C15_10 120.2(7) . . ?
C35_10 C16_10 C17_10 119.2(7) . . ?
C15_10 C16_10 C17_10 107.8(7) . . ?
C18_10 C17_10 C16_10 121.1(7) . . ?
C18_10 C17_10 C4_10 119.0(6) . . ?
C16_10 C17_10 C4_10 108.0(6) . . ?
C17_10 C18_10 C19_10 120.7(7) . . ?
C17_10 C18_10 C37_10 119.2(6) . . ?
C19_10 C18_10 C37_10 109.0(6) . . ?
C20_10 C19_10 C18_10 121.7(6) . . ?
C20_10 C19_10 C39_10 120.0(6) . . ?
C18_10 C19_10 C39_10 107.9(6) . . ?
C21_10 C20_10 C19_10 117.3(6) . . ?
C21_10 C20_10 C5_10 118.7(6) . . ?
C19_10 C20_10 C5_10 118.2(6) . . ?
C20_10 C21_10 C22_10 121.9(7) . . ?
C20_10 C21_10 C41_10 120.9(6) . . ?
C22_10 C21_10 C41_10 108.3(6) . . ?
C7_10 C22_10 C21_10 120.8(6) . . ?
C7_10 C22_10 C23_10 119.5(6) . . ?
C21_10 C22_10 C23_10 108.9(6) . . ?
C24_10 C23_10 C42_10 120.4(6) . . ?
C24_10 C23_10 C22_10 119.5(7) . . ?
C42_10 C23_10 C22_10 107.0(6) . . ?
C23_10 C24_10 C25_10 120.9(7) . . ?
C23_10 C24_10 C45_10 118.8(7) . . ?
C25_10 C24_10 C45_10 107.0(6) . . ?
C24_10 C25_10 C8_10 120.1(6) . . ?
C24_10 C25_10 C26_10 110.7(7) . . ?
C8_10 C25_10 C26_10 118.2(7) . . ?
C27_10 C26_10 C25_10 121.3(7) . . ?
C27_10 C26_10 C46_10 119.5(7) . . ?
C25_10 C26_10 C46_10 107.0(6) . . ?
C26_10 C27_10 C10_10 119.9(7) . . ?
C26_10 C27_10 C28_10 120.3(7) . . ?
C10_10 C27_10 C28_10 106.6(7) . . ?
C48_10 C28_10 C29_10 120.1(7) . . ?
C48_10 C28_10 C27_10 119.3(7) . . ?
C29_10 C28_10 C27_10 109.0(6) . . ?
C30_10 C29_10 C28_10 122.5(7) . . ?
C30_10 C29_10 C11_10 120.4(6) . . ?
C28_10 C29_10 C11_10 107.9(7) . . ?
C29_10 C30_10 C31_10 117.3(7) . . ?
C29_10 C30_10 C50_10 118.7(7) . . ?
C31_10 C30_10 C50_10 117.6(7) . . ?
C30_10 C31_10 C13_10 121.2(7) . . ?
C30_10 C31_10 C32_10 121.9(7) . . ?
C13_10 C31_10 C32_10 108.4(6) . . ?
C52_10 C32_10 C31_10 119.8(7) . . ?
C52_10 C32_10 C33_10 119.7(7) . . ?
C31_10 C32_10 C33_10 108.1(6) . . ?
C34_10 C33_10 C14_10 120.8(7) . . ?
C34_10 C33_10 C32_10 119.5(7) . . ?
C14_10 C33_10 C32_10 106.8(7) . . ?
C33_10 C34_10 C54_10 120.2(7) . . ?
C33_10 C34_10 C35_10 119.1(7) . . ?
C54_10 C34_10 C35_10 108.3(7) . . ?
C16_10 C35_10 C36_10 119.9(7) . . ?
C16_10 C35_10 C34_10 119.6(7) . . ?
C36_10 C35_10 C34_10 107.9(7) . . ?
C37_10 C36_10 C35_10 120.1(7) . . ?
C37_10 C36_10 C55_10 119.2(7) . . ?
C35_10 C36_10 C55_10 107.6(6) . . ?
C36_10 C37_10 C38_10 121.5(7) . . ?
C36_10 C37_10 C18_10 120.4(7) . . ?
C38_10 C37_10 C18_10 106.2(6) . . ?
C57_10 C38_10 C37_10 119.2(7) . . ?
C57_10 C38_10 C39_10 118.0(6) . . ?
C37_10 C38_10 C39_10 109.7(6) . . ?
C40_10 C39_10 C38_10 123.5(6) . . ?
C40_10 C39_10 C19_10 120.9(6) . . ?
C38_10 C39_10 C19_10 107.3(6) . . ?
C41_10 C40_10 C39_10 117.1(6) . . ?
C41_10 C40_10 C59_10 118.2(6) . . ?
C39_10 C40_10 C59_10 117.7(6) . . ?
C40_10 C41_10 C21_10 121.2(6) . . ?
C40_10 C41_10 C42_10 122.3(6) . . ?
C21_10 C41_10 C42_10 107.3(6) . . ?
C43_10 C42_10 C23_10 121.0(6) . . ?
C43_10 C42_10 C41_10 118.7(7) . . ?
C23_10 C42_10 C41_10 108.5(6) . . ?
C42_10 C43_10 C60_10 120.3(6) . . ?
C42_10 C43_10 C44_10 119.1(7) . . ?
C60_10 C43_10 C44_10 109.1(6) . . ?
C45_10 C44_10 C62_10 119.6(6) . . ?
C45_10 C44_10 C43_10 121.2(7) . . ?
C62_10 C44_10 C43_10 105.6(6) . . ?
C44_10 C45_10 C46_10 120.6(7) . . ?
C44_10 C45_10 C24_10 119.5(6) . . ?
C46_10 C45_10 C24_10 107.9(6) . . ?
C47_10 C46_10 C45_10 119.8(7) . . ?
C47_10 C46_10 C26_10 119.4(7) . . ?
C45_10 C46_10 C26_10 107.3(6) . . ?
C46_10 C47_10 C48_10 120.4(7) . . ?
C46_10 C47_10 C63_10 119.9(6) . . ?
C48_10 C47_10 C63_10 106.8(6) . . ?
C28_10 C48_10 C47_10 121.0(7) . . ?
C28_10 C48_10 C49_10 118.8(6) . . ?
C47_10 C48_10 C49_10 108.8(6) . . ?
C64_10 C49_10 C50_10 121.3(6) . . ?
C64_10 C49_10 C48_10 106.8(6) . . ?
C50_10 C49_10 C48_10 121.7(6) . . ?
C51_10 C50_10 C49_10 115.6(6) . . ?
C51_10 C50_10 C30_10 119.4(6) . . ?
C49_10 C50_10 C30_10 118.0(7) . . ?
C50_10 C51_10 C66_10 122.3(6) . . ?
C50_10 C51_10 C52_10 121.6(7) . . ?
C66_10 C51_10 C52_10 107.0(6) . . ?
C32_10 C52_10 C53_10 120.7(7) . . ?
C32_10 C52_10 C51_10 119.3(7) . . ?
C53_10 C52_10 C51_10 109.2(6) . . ?
C54_10 C53_10 C52_10 120.4(7) . . ?
C54_10 C53_10 C67_10 119.6(7) . . ?
C52_10 C53_10 C67_10 106.8(6) . . ?
C53_10 C54_10 C34_10 119.4(7) . . ?
C53_10 C54_10 C55_10 119.7(7) . . ?
C34_10 C54_10 C55_10 108.4(7) . . ?
C56_10 C55_10 C54_10 121.2(7) . . ?
C56_10 C55_10 C36_10 118.6(7) . . ?
C54_10 C55_10 C36_10 107.7(7) . . ?
C55_10 C56_10 C57_10 121.5(7) . . ?
C55_10 C56_10 C68_10 118.5(7) . . ?
C57_10 C56_10 C68_10 107.2(6) . . ?
C38_10 C57_10 C56_10 119.9(7) . . ?
C38_10 C57_10 C58_10 120.2(7) . . ?
C56_10 C57_10 C58_10 109.4(6) . . ?
C59_10 C58_10 C69_10 121.7(6) . . ?
C59_10 C58_10 C57_10 121.9(7) . . ?
C69_10 C58_10 C57_10 106.7(6) . . ?
C58_10 C59_10 C60_10 116.7(6) . . ?
C58_10 C59_10 C40_10 118.5(6) . . ?
C60_10 C59_10 C40_10 118.3(6) . . ?
C59_10 C60_10 C61_10 120.9(7) . . ?
C59_10 C60_10 C43_10 121.8(6) . . ?
C61_10 C60_10 C43_10 108.3(6) . . ?
C70_10 C61_10 C60_10 121.8(6) . . ?
C70_10 C61_10 C62_10 121.2(6) . . ?
C60_10 C61_10 C62_10 107.6(6) . . ?
C63_10 C62_10 C61_10 119.3(7) . . ?
C63_10 C62_10 C44_10 120.3(7) . . ?
C61_10 C62_10 C44_10 109.4(6) . . ?
C62_10 C63_10 C64_10 120.1(6) . . ?
C62_10 C63_10 C47_10 119.8(6) . . ?
C64_10 C63_10 C47_10 108.1(6) . . ?
C49_10 C64_10 C65_10 121.6(6) . . ?
C49_10 C64_10 C63_10 109.4(6) . . ?
C65_10 C64_10 C63_10 121.5(7) . . ?
C66_10 C65_10 C64_10 115.7(6) . . ?
C66_10 C65_10 C70_10 119.4(6) . . ?
C64_10 C65_10 C70_10 118.3(7) . . ?
C65_10 C66_10 C51_10 121.0(6) . . ?
C65_10 C66_10 C67_10 120.8(6) . . ?
C51_10 C66_10 C67_10 108.8(6) . . ?
C68_10 C67_10 C66_10 120.2(7) . . ?
C68_10 C67_10 C53_10 120.4(7) . . ?
C66_10 C67_10 C53_10 108.1(6) . . ?
C67_10 C68_10 C69_10 120.2(7) . . ?
C67_10 C68_10 C56_10 120.7(7) . . ?
C69_10 C68_10 C56_10 107.3(6) . . ?
C68_10 C69_10 C70_10 121.4(7) . . ?
C68_10 C69_10 C58_10 109.3(6) . . ?
C70_10 C69_10 C58_10 120.1(7) . . ?
C61_10 C70_10 C69_10 116.3(6) . . ?
C61_10 C70_10 C65_10 119.2(6) . . ?
C69_10 C70_10 C65_10 117.8(7) . . ?
C2_11 C1_11 C6_11 122.7(7) . . ?
C2_11 C1_11 C9_11 122.1(6) . . ?
C6_11 C1_11 C9_11 105.7(7) . . ?
C1_11 C2_11 C3_11 117.5(7) . . ?
C1_11 C2_11 C12_11 118.7(7) . . ?
C3_11 C2_11 C12_11 117.2(7) . . ?
C2_11 C3_11 C15_11 122.5(7) . . ?
C2_11 C3_11 C4_11 119.6(7) . . ?
C15_11 C3_11 C4_11 108.4(7) . . ?
C5_11 C4_11 C3_11 122.1(7) . . ?
C5_11 C4_11 C17_11 121.4(7) . . ?
C3_11 C4_11 C17_11 107.9(7) . . ?
C4_11 C5_11 C6_11 116.3(7) . . ?
C4_11 C5_11 C20_11 119.0(7) . . ?
C6_11 C5_11 C20_11 118.0(7) . . ?
C7_11 C6_11 C1_11 109.6(7) . . ?
C7_11 C6_11 C5_11 121.5(7) . . ?
C1_11 C6_11 C5_11 119.3(7) . . ?
C22_11 C7_11 C6_11 119.4(7) . . ?
C22_11 C7_11 C8_11 120.4(7) . . ?
C6_11 C7_11 C8_11 108.8(6) . . ?
C25_11 C8_11 C7_11 121.0(7) . . ?
C25_11 C8_11 C9_11 120.4(7) . . ?
C7_11 C8_11 C9_11 106.8(6) . . ?
C10_11 C9_11 C8_11 120.5(7) . . ?
C10_11 C9_11 C1_11 118.9(7) . . ?
C8_11 C9_11 C1_11 109.1(6) . . ?
C9_11 C10_11 C11_11 119.8(6) . . ?
C9_11 C10_11 C27_11 118.9(7) . . ?
C11_11 C10_11 C27_11 109.5(6) . . ?
C12_11 C11_11 C10_11 122.5(6) . . ?
C12_11 C11_11 C29_11 120.1(6) . . ?
C10_11 C11_11 C29_11 107.8(6) . . ?
C13_11 C12_11 C11_11 117.0(7) . . ?
C13_11 C12_11 C2_11 118.3(7) . . ?
C11_11 C12_11 C2_11 117.7(7) . . ?
C12_11 C13_11 C14_11 122.8(7) . . ?
C12_11 C13_11 C31_11 120.9(7) . . ?
C14_11 C13_11 C31_11 107.4(7) . . ?
C15_11 C14_11 C33_11 119.1(8) . . ?
C15_11 C14_11 C13_11 118.3(7) . . ?
C33_11 C14_11 C13_11 110.1(7) . . ?
C14_11 C15_11 C3_11 120.5(7) . . ?
C14_11 C15_11 C16_11 119.0(7) . . ?
C3_11 C15_11 C16_11 109.1(7) . . ?
C35_11 C16_11 C15_11 121.6(7) . . ?
C35_11 C16_11 C17_11 120.1(8) . . ?
C15_11 C16_11 C17_11 106.2(7) . . ?
C18_11 C17_11 C4_11 119.8(7) . . ?
C18_11 C17_11 C16_11 119.1(7) . . ?
C4_11 C17_11 C16_11 108.4(7) . . ?
C17_11 C18_11 C19_11 119.3(7) . . ?
C17_11 C18_11 C37_11 120.6(7) . . ?
C19_11 C18_11 C37_11 108.2(7) . . ?
C20_11 C19_11 C18_11 122.2(7) . . ?
C20_11 C19_11 C39_11 120.5(7) . . ?
C18_11 C19_11 C39_11 108.3(7) . . ?
C21_11 C20_11 C19_11 116.2(7) . . ?
C21_11 C20_11 C5_11 119.3(7) . . ?
C19_11 C20_11 C5_11 118.0(7) . . ?
C20_11 C21_11 C41_11 121.7(7) . . ?
C20_11 C21_11 C22_11 120.8(7) . . ?
C41_11 C21_11 C22_11 108.9(7) . . ?
C7_11 C22_11 C21_11 120.6(7) . . ?
C7_11 C22_11 C23_11 118.3(7) . . ?
C21_11 C22_11 C23_11 108.7(7) . . ?
C24_11 C23_11 C22_11 121.0(7) . . ?
C24_11 C23_11 C42_11 120.3(7) . . ?
C22_11 C23_11 C42_11 106.2(7) . . ?
C23_11 C24_11 C25_11 120.3(7) . . ?
C23_11 C24_11 C45_11 119.6(7) . . ?
C25_11 C24_11 C45_11 108.1(7) . . ?
C8_11 C25_11 C24_11 119.0(7) . . ?
C8_11 C25_11 C26_11 119.0(7) . . ?
C24_11 C25_11 C26_11 109.8(7) . . ?
C27_11 C26_11 C25_11 121.2(7) . . ?
C27_11 C26_11 C46_11 119.4(7) . . ?
C25_11 C26_11 C46_11 106.6(7) . . ?
C26_11 C27_11 C28_11 121.0(7) . . ?
C26_11 C27_11 C10_11 120.0(7) . . ?
C28_11 C27_11 C10_11 106.4(7) . . ?
C48_11 C28_11 C27_11 119.4(7) . . ?
C48_11 C28_11 C29_11 119.7(7) . . ?
C27_11 C28_11 C29_11 109.3(7) . . ?
C30_11 C29_11 C28_11 122.2(7) . . ?
C30_11 C29_11 C11_11 121.3(6) . . ?
C28_11 C29_11 C11_11 107.0(6) . . ?
C29_11 C30_11 C31_11 116.8(7) . . ?
C29_11 C30_11 C50_11 119.1(7) . . ?
C31_11 C30_11 C50_11 117.6(7) . . ?
C30_11 C31_11 C13_11 121.4(7) . . ?
C30_11 C31_11 C32_11 121.5(7) . . ?
C13_11 C31_11 C32_11 108.6(6) . . ?
C52_11 C32_11 C31_11 120.7(7) . . ?
C52_11 C32_11 C33_11 119.1(7) . . ?
C31_11 C32_11 C33_11 107.9(6) . . ?
C34_11 C33_11 C14_11 123.0(7) . . ?
C34_11 C33_11 C32_11 119.6(7) . . ?
C14_11 C33_11 C32_11 106.0(7) . . ?
C33_11 C34_11 C54_11 121.8(7) . . ?
C33_11 C34_11 C35_11 118.4(7) . . ?
C54_11 C34_11 C35_11 107.0(7) . . ?
C16_11 C35_11 C36_11 120.5(8) . . ?
C16_11 C35_11 C34_11 118.9(7) . . ?
C36_11 C35_11 C34_11 107.8(7) . . ?
C37_11 C36_11 C35_11 120.7(7) . . ?
C37_11 C36_11 C55_11 118.6(7) . . ?
C35_11 C36_11 C55_11 108.8(7) . . ?
C36_11 C37_11 C38_11 120.6(7) . . ?
C36_11 C37_11 C18_11 118.9(7) . . ?
C38_11 C37_11 C18_11 107.6(7) . . ?
C57_11 C38_11 C37_11 120.2(7) . . ?
C57_11 C38_11 C39_11 120.3(7) . . ?
C37_11 C38_11 C39_11 108.2(7) . . ?
C40_11 C39_11 C38_11 121.5(7) . . ?
C40_11 C39_11 C19_11 120.9(7) . . ?
C38_11 C39_11 C19_11 107.7(7) . . ?
C41_11 C40_11 C39_11 116.7(7) . . ?
C41_11 C40_11 C59_11 119.4(6) . . ?
C39_11 C40_11 C59_11 117.8(7) . . ?
C40_11 C41_11 C21_11 121.4(7) . . ?
C40_11 C41_11 C42_11 122.5(7) . . ?
C21_11 C41_11 C42_11 107.1(7) . . ?
C43_11 C42_11 C41_11 119.4(7) . . ?
C43_11 C42_11 C23_11 119.3(7) . . ?
C41_11 C42_11 C23_11 109.1(7) . . ?
C42_11 C43_11 C44_11 120.3(7) . . ?
C42_11 C43_11 C60_11 119.2(7) . . ?
C44_11 C43_11 C60_11 108.6(6) . . ?
C45_11 C44_11 C62_11 121.2(7) . . ?
C45_11 C44_11 C43_11 120.3(7) . . ?
C62_11 C44_11 C43_11 106.6(6) . . ?
C44_11 C45_11 C24_11 120.2(7) . . ?
C44_11 C45_11 C46_11 119.5(7) . . ?
C24_11 C45_11 C46_11 107.4(7) . . ?
C47_11 C46_11 C45_11 119.7(7) . . ?
C47_11 C46_11 C26_11 119.3(7) . . ?
C45_11 C46_11 C26_11 108.0(7) . . ?
C46_11 C47_11 C48_11 119.8(7) . . ?
C46_11 C47_11 C63_11 120.5(7) . . ?
C48_11 C47_11 C63_11 107.2(6) . . ?
C28_11 C48_11 C47_11 121.0(7) . . ?
C28_11 C48_11 C49_11 119.9(7) . . ?
C47_11 C48_11 C49_11 107.8(6) . . ?
C50_11 C49_11 C64_11 121.3(7) . . ?
C50_11 C49_11 C48_11 121.6(7) . . ?
C64_11 C49_11 C48_11 107.6(7) . . ?
C51_11 C50_11 C49_11 116.4(7) . . ?
C51_11 C50_11 C30_11 118.7(7) . . ?
C49_11 C50_11 C30_11 117.2(7) . . ?
C50_11 C51_11 C52_11 122.1(7) . . ?
C50_11 C51_11 C66_11 121.9(7) . . ?
C52_11 C51_11 C66_11 107.8(6) . . ?
C32_11 C52_11 C53_11 119.9(7) . . ?
C32_11 C52_11 C51_11 118.9(7) . . ?
C53_11 C52_11 C51_11 109.5(7) . . ?
C54_11 C53_11 C52_11 121.6(7) . . ?
C54_11 C53_11 C67_11 118.2(7) . . ?
C52_11 C53_11 C67_11 106.8(7) . . ?
C53_11 C54_11 C34_11 118.0(7) . . ?
C53_11 C54_11 C55_11 120.9(8) . . ?
C34_11 C54_11 C55_11 110.1(7) . . ?
C56_11 C55_11 C54_11 120.0(7) . . ?
C56_11 C55_11 C36_11 120.1(7) . . ?
C54_11 C55_11 C36_11 106.4(7) . . ?
C55_11 C56_11 C57_11 120.2(7) . . ?
C55_11 C56_11 C68_11 120.6(7) . . ?
C57_11 C56_11 C68_11 105.8(7) . . ?
C38_11 C57_11 C56_11 120.3(7) . . ?
C38_11 C57_11 C58_11 118.9(7) . . ?
C56_11 C57_11 C58_11 109.7(7) . . ?
C59_11 C58_11 C69_11 122.7(7) . . ?
C59_11 C58_11 C57_11 122.7(7) . . ?
C69_11 C58_11 C57_11 106.2(7) . . ?
C58_11 C59_11 C60_11 117.1(7) . . ?
C58_11 C59_11 C40_11 118.5(7) . . ?
C60_11 C59_11 C40_11 116.7(6) . . ?
C59_11 C60_11 C61_11 119.9(7) . . ?
C59_11 C60_11 C43_11 122.5(7) . . ?
C61_11 C60_11 C43_11 108.0(6) . . ?
C70_11 C61_11 C60_11 122.3(7) . . ?
C70_11 C61_11 C62_11 121.6(7) . . ?
C60_11 C61_11 C62_11 107.6(7) . . ?
C63_11 C62_11 C61_11 119.2(7) . . ?
C63_11 C62_11 C44_11 120.0(7) . . ?
C61_11 C62_11 C44_11 109.3(6) . . ?
C62_11 C63_11 C64_11 120.3(7) . . ?
C62_11 C63_11 C47_11 119.0(7) . . ?
C64_11 C63_11 C47_11 108.1(7) . . ?
C63_11 C64_11 C49_11 109.3(7) . . ?
C63_11 C64_11 C65_11 121.5(7) . . ?
C49_11 C64_11 C65_11 120.7(7) . . ?
C66_11 C65_11 C64_11 116.5(7) . . ?
C66_11 C65_11 C70_11 120.1(7) . . ?
C64_11 C65_11 C70_11 117.6(7) . . ?
C65_11 C66_11 C67_11 120.6(7) . . ?
C65_11 C66_11 C51_11 120.7(6) . . ?
C67_11 C66_11 C51_11 108.2(6) . . ?
C68_11 C67_11 C66_11 120.3(7) . . ?
C68_11 C67_11 C53_11 120.9(7) . . ?
C66_11 C67_11 C53_11 107.8(7) . . ?
C67_11 C68_11 C69_11 119.9(7) . . ?
C67_11 C68_11 C56_11 119.3(7) . . ?
C69_11 C68_11 C56_11 109.0(7) . . ?
C68_11 C69_11 C70_11 122.0(7) . . ?
C68_11 C69_11 C58_11 109.3(7) . . ?
C70_11 C69_11 C58_11 119.0(7) . . ?
C61_11 C70_11 C69_11 116.8(7) . . ?
C61_11 C70_11 C65_11 119.4(7) . . ?
C69_11 C70_11 C65_11 117.0(7) . . ?
C6_12 C1_12 C2_12 121.5(7) . . ?
C6_12 C1_12 C9_12 107.9(7) . . ?
C2_12 C1_12 C9_12 121.3(7) . . ?
C1_12 C2_12 C3_12 114.1(8) . . ?
C1_12 C2_12 C12_12 119.0(7) . . ?
C3_12 C2_12 C12_12 120.0(8) . . ?
C2_12 C3_12 C4_12 122.3(8) . . ?
C2_12 C3_12 C15_12 120.3(9) . . ?
C4_12 C3_12 C15_12 107.7(8) . . ?
C5_12 C4_12 C3_12 121.1(7) . . ?
C5_12 C4_12 C17_12 122.6(9) . . ?
C3_12 C4_12 C17_12 108.1(9) . . ?
C4_12 C5_12 C6_12 115.9(8) . . ?
C4_12 C5_12 C20_12 117.0(8) . . ?
C6_12 C5_12 C20_12 120.6(8) . . ?
C5_12 C6_12 C1_12 122.5(8) . . ?
C5_12 C6_12 C7_12 120.0(8) . . ?
C1_12 C6_12 C7_12 108.3(7) . . ?
C22_12 C7_12 C8_12 122.6(8) . . ?
C22_12 C7_12 C6_12 119.6(8) . . ?
C8_12 C7_12 C6_12 107.7(7) . . ?
C25_12 C8_12 C7_12 118.8(8) . . ?
C25_12 C8_12 C9_12 120.7(7) . . ?
C7_12 C8_12 C9_12 108.0(7) . . ?
C10_12 C9_12 C1_12 119.8(7) . . ?
C10_12 C9_12 C8_12 119.3(7) . . ?
C1_12 C9_12 C8_12 108.2(6) . . ?
C9_12 C10_12 C11_12 119.1(7) . . ?
C9_12 C10_12 C27_12 119.4(7) . . ?
C11_12 C10_12 C27_12 109.4(7) . . ?
C12_12 C11_12 C29_12 121.4(8) . . ?
C12_12 C11_12 C10_12 121.9(7) . . ?
C29_12 C11_12 C10_12 107.7(7) . . ?
C13_12 C12_12 C11_12 116.8(8) . . ?
C13_12 C12_12 C2_12 117.6(8) . . ?
C11_12 C12_12 C2_12 118.7(7) . . ?
C12_12 C13_12 C31_12 121.2(8) . . ?
C12_12 C13_12 C14_12 121.8(9) . . ?
C31_12 C13_12 C14_12 108.4(8) . . ?
C15_12 C14_12 C13_12 120.7(8) . . ?
C15_12 C14_12 C33_12 119.4(9) . . ?
C13_12 C14_12 C33_12 107.8(9) . . ?
C14_12 C15_12 C16_12 120.9(9) . . ?
C14_12 C15_12 C3_12 119.2(8) . . ?
C16_12 C15_12 C3_12 108.7(9) . . ?
C35_12 C16_12 C15_12 120.5(10) . . ?
C35_12 C16_12 C17_12 118.8(9) . . ?
C15_12 C16_12 C17_12 107.1(8) . . ?
C18_12 C17_12 C4_12 120.3(9) . . ?
C18_12 C17_12 C16_12 120.6(8) . . ?
C4_12 C17_12 C16_12 108.3(9) . . ?
C17_12 C18_12 C19_12 119.6(8) . . ?
C17_12 C18_12 C37_12 120.3(9) . . ?
C19_12 C18_12 C37_12 107.5(8) . . ?
C18_12 C19_12 C20_12 121.4(9) . . ?
C18_12 C19_12 C39_12 108.9(7) . . ?
C20_12 C19_12 C39_12 120.5(9) . . ?
C21_12 C20_12 C19_12 116.7(9) . . ?
C21_12 C20_12 C5_12 117.6(8) . . ?
C19_12 C20_12 C5_12 118.7(9) . . ?
C20_12 C21_12 C41_12 121.7(8) . . ?
C20_12 C21_12 C22_12 121.2(9) . . ?
C41_12 C21_12 C22_12 108.4(9) . . ?
C7_12 C22_12 C21_12 120.6(9) . . ?
C7_12 C22_12 C23_12 118.4(8) . . ?
C21_12 C22_12 C23_12 108.2(8) . . ?
C24_12 C23_12 C42_12 119.7(9) . . ?
C24_12 C23_12 C22_12 120.2(8) . . ?
C42_12 C23_12 C22_12 107.1(8) . . ?
C23_12 C24_12 C25_12 119.4(8) . . ?
C23_12 C24_12 C45_12 120.1(8) . . ?
C25_12 C24_12 C45_12 108.2(8) . . ?
C8_12 C25_12 C24_12 120.5(8) . . ?
C8_12 C25_12 C26_12 119.4(7) . . ?
C24_12 C25_12 C26_12 107.9(7) . . ?
C27_12 C26_12 C25_12 120.3(7) . . ?
C27_12 C26_12 C46_12 119.1(7) . . ?
C25_12 C26_12 C46_12 108.3(7) . . ?
C26_12 C27_12 C28_12 121.0(7) . . ?
C26_12 C27_12 C10_12 121.0(7) . . ?
C28_12 C27_12 C10_12 105.3(7) . . ?
C48_12 C28_12 C29_12 120.3(8) . . ?
C48_12 C28_12 C27_12 119.0(8) . . ?
C29_12 C28_12 C27_12 109.5(7) . . ?
C30_12 C29_12 C11_12 120.4(8) . . ?
C30_12 C29_12 C28_12 122.6(8) . . ?
C11_12 C29_12 C28_12 108.2(7) . . ?
C31_12 C30_12 C29_12 117.8(8) . . ?
C31_12 C30_12 C50_12 117.9(8) . . ?
C29_12 C30_12 C50_12 117.6(9) . . ?
C30_12 C31_12 C32_12 122.8(9) . . ?
C30_12 C31_12 C13_12 120.4(8) . . ?
C32_12 C31_12 C13_12 107.5(9) . . ?
C52_12 C32_12 C31_12 119.7(10) . . ?
C52_12 C32_12 C33_12 119.2(9) . . ?
C31_12 C32_12 C33_12 109.4(9) . . ?
C34_12 C33_12 C32_12 121.3(9) . . ?
C34_12 C33_12 C14_12 119.6(10) . . ?
C32_12 C33_12 C14_12 106.9(8) . . ?
C33_12 C34_12 C35_12 120.8(9) . . ?
C33_12 C34_12 C54_12 118.9(9) . . ?
C35_12 C34_12 C54_12 108.7(8) . . ?
C16_12 C35_12 C34_12 118.9(9) . . ?
C16_12 C35_12 C36_12 119.7(9) . . ?
C34_12 C35_12 C36_12 109.3(8) . . ?
C37_12 C36_12 C35_12 120.9(8) . . ?
C37_12 C36_12 C55_12 119.7(8) . . ?
C35_12 C36_12 C55_12 106.4(8) . . ?
C36_12 C37_12 C38_12 121.1(8) . . ?
C36_12 C37_12 C18_12 119.7(9) . . ?
C38_12 C37_12 C18_12 107.4(8) . . ?
C57_12 C38_12 C37_12 119.9(8) . . ?
C57_12 C38_12 C39_12 119.3(7) . . ?
C37_12 C38_12 C39_12 109.0(7) . . ?
C40_12 C39_12 C19_12 121.5(8) . . ?
C40_12 C39_12 C38_12 122.0(8) . . ?
C19_12 C39_12 C38_12 107.2(8) . . ?
C39_12 C40_12 C41_12 116.6(8) . . ?
C39_12 C40_12 C59_12 118.6(7) . . ?
C41_12 C40_12 C59_12 118.2(8) . . ?
C40_12 C41_12 C21_12 120.6(9) . . ?
C40_12 C41_12 C42_12 121.7(9) . . ?
C21_12 C41_12 C42_12 108.1(8) . . ?
C43_12 C42_12 C41_12 119.8(8) . . ?
C43_12 C42_12 C23_12 120.6(9) . . ?
C41_12 C42_12 C23_12 108.1(8) . . ?
C42_12 C43_12 C60_12 120.3(8) . . ?
C42_12 C43_12 C44_12 119.6(8) . . ?
C60_12 C43_12 C44_12 108.1(8) . . ?
C45_12 C44_12 C62_12 119.5(9) . . ?
C45_12 C44_12 C43_12 120.9(9) . . ?
C62_12 C44_12 C43_12 106.6(8) . . ?
C44_12 C45_12 C46_12 120.6(9) . . ?
C44_12 C45_12 C24_12 119.1(9) . . ?
C46_12 C45_12 C24_12 108.3(7) . . ?
C47_12 C46_12 C45_12 119.1(8) . . ?
C47_12 C46_12 C26_12 120.6(8) . . ?
C45_12 C46_12 C26_12 107.2(8) . . ?
C46_12 C47_12 C63_12 120.8(9) . . ?
C46_12 C47_12 C48_12 119.4(8) . . ?
C63_12 C47_12 C48_12 107.8(8) . . ?
C28_12 C48_12 C47_12 120.8(8) . . ?
C28_12 C48_12 C49_12 119.4(8) . . ?
C47_12 C48_12 C49_12 108.1(8) . . ?
C64_12 C49_12 C50_12 121.3(8) . . ?
C64_12 C49_12 C48_12 107.0(8) . . ?
C50_12 C49_12 C48_12 120.9(8) . . ?
C51_12 C50_12 C49_12 115.3(9) . . ?
C51_12 C50_12 C30_12 119.3(9) . . ?
C49_12 C50_12 C30_12 119.0(8) . . ?
C50_12 C51_12 C66_12 121.7(9) . . ?
C50_12 C51_12 C52_12 120.9(9) . . ?
C66_12 C51_12 C52_12 107.9(8) . . ?
C32_12 C52_12 C53_12 120.0(9) . . ?
C32_12 C52_12 C51_12 119.1(8) . . ?
C53_12 C52_12 C51_12 108.9(8) . . ?
C54_12 C53_12 C52_12 120.8(9) . . ?
C54_12 C53_12 C67_12 119.5(8) . . ?
C52_12 C53_12 C67_12 106.7(8) . . ?
C53_12 C54_12 C55_12 120.9(8) . . ?
C53_12 C54_12 C34_12 119.8(8) . . ?
C55_12 C54_12 C34_12 106.8(8) . . ?
C56_12 C55_12 C54_12 119.5(8) . . ?
C56_12 C55_12 C36_12 119.2(8) . . ?
C54_12 C55_12 C36_12 108.9(8) . . ?
C55_12 C56_12 C57_12 120.3(7) . . ?
C55_12 C56_12 C68_12 120.3(7) . . ?
C57_12 C56_12 C68_12 106.5(6) . . ?
C38_12 C57_12 C58_12 120.0(7) . . ?
C38_12 C57_12 C56_12 119.7(7) . . ?
C58_12 C57_12 C56_12 108.7(7) . . ?
C59_12 C58_12 C69_12 121.0(7) . . ?
C59_12 C58_12 C57_12 121.3(7) . . ?
C69_12 C58_12 C57_12 108.8(7) . . ?
C58_12 C59_12 C60_12 115.6(8) . . ?
C58_12 C59_12 C40_12 118.5(7) . . ?
C60_12 C59_12 C40_12 118.7(8) . . ?
C61_12 C60_12 C59_12 121.6(8) . . ?
C61_12 C60_12 C43_12 108.6(8) . . ?
C59_12 C60_12 C43_12 121.0(9) . . ?
C60_12 C61_12 C70_12 120.5(7) . . ?
C60_12 C61_12 C62_12 108.2(8) . . ?
C70_12 C61_12 C62_12 121.5(8) . . ?
C63_12 C62_12 C61_12 120.8(8) . . ?
C63_12 C62_12 C44_12 118.8(8) . . ?
C61_12 C62_12 C44_12 108.4(8) . . ?
C62_12 C63_12 C47_12 121.2(9) . . ?
C62_12 C63_12 C64_12 118.8(8) . . ?
C47_12 C63_12 C64_12 109.0(8) . . ?
C65_12 C64_12 C63_12 122.8(9) . . ?
C65_12 C64_12 C49_12 119.9(9) . . ?
C63_12 C64_12 C49_12 108.1(8) . . ?
C66_12 C65_12 C64_12 117.2(8) . . ?
C66_12 C65_12 C70_12 119.0(7) . . ?
C64_12 C65_12 C70_12 117.7(8) . . ?
C65_12 C66_12 C51_12 121.6(8) . . ?
C65_12 C66_12 C67_12 121.5(8) . . ?
C51_12 C66_12 C67_12 107.6(8) . . ?
C68_12 C67_12 C66_12 119.3(8) . . ?
C68_12 C67_12 C53_12 120.0(8) . . ?
C66_12 C67_12 C53_12 108.9(8) . . ?
C67_12 C68_12 C69_12 119.9(7) . . ?
C67_12 C68_12 C56_12 119.8(7) . . ?
C69_12 C68_12 C56_12 108.8(7) . . ?
C70_12 C69_12 C58_12 121.7(7) . . ?
C70_12 C69_12 C68_12 121.4(7) . . ?
C58_12 C69_12 C68_12 107.2(7) . . ?
C69_12 C70_12 C61_12 117.0(8) . . ?
C69_12 C70_12 C65_12 118.6(8) . . ?
C61_12 C70_12 C65_12 118.2(7) . . ?
N4_13 Ni3_13 N3_13 90.15(19) . . ?
N4_13 Ni3_13 N2_13 178.6(2) . . ?
N3_13 Ni3_13 N2_13 89.89(19) . . ?
N4_13 Ni3_13 N1_13 89.60(19) . . ?
N3_13 Ni3_13 N1_13 177.01(19) . . ?
N2_13 Ni3_13 N1_13 90.29(19) . . ?
C71_13 N1_13 C74_13 105.0(5) . . ?
C71_13 N1_13 Ni3_13 127.6(4) . . ?
C74_13 N1_13 Ni3_13 127.4(4) . . ?
C76_13 N2_13 C79_13 105.1(5) . . ?
C76_13 N2_13 Ni3_13 127.0(4) . . ?
C79_13 N2_13 Ni3_13 127.8(4) . . ?
C84_13 N3_13 C81_13 105.6(5) . . ?
C84_13 N3_13 Ni3_13 126.8(4) . . ?
C81_13 N3_13 Ni3_13 127.6(4) . . ?
C89_13 N4_13 C86_13 103.8(5) . . ?
C89_13 N4_13 Ni3_13 128.1(4) . . ?
C86_13 N4_13 Ni3_13 128.1(4) . . ?
N1_13 C71_13 C90_13 126.0(5) . . ?
N1_13 C71_13 C72_13 110.4(5) . . ?
C90_13 C71_13 C72_13 123.6(5) . . ?
C73_13 C72_13 C71_13 107.4(5) . . ?
C73_13 C72_13 C91_13 128.1(6) . . ?
C71_13 C72_13 C91_13 124.5(6) . . ?
C72_13 C73_13 C74_13 106.2(5) . . ?
C72_13 C73_13 C93_13 129.3(6) . . ?
C74_13 C73_13 C93_13 124.4(5) . . ?
C75_13 C74_13 N1_13 125.0(5) . . ?
C75_13 C74_13 C73_13 124.0(5) . . ?
N1_13 C74_13 C73_13 111.0(5) . . ?
C74_13 C75_13 C76_13 124.5(5) . . ?
C74_13 C75_13 H41_13 117.8 . . ?
C76_13 C75_13 H41_13 117.8 . . ?
N2_13 C76_13 C75_13 125.8(5) . . ?
N2_13 C76_13 C77_13 111.2(5) . . ?
C75_13 C76_13 C77_13 123.0(5) . . ?
C78_13 C77_13 C76_13 106.5(5) . . ?
C78_13 C77_13 C95_13 129.4(5) . . ?
C76_13 C77_13 C95_13 124.0(5) . . ?
C77_13 C78_13 C79_13 106.4(5) . . ?
C77_13 C78_13 C97_13 127.9(6) . . ?
C79_13 C78_13 C97_13 125.6(6) . . ?
C80_13 C79_13 N2_13 125.2(6) . . ?
C80_13 C79_13 C78_13 124.0(5) . . ?
N2_13 C79_13 C78_13 110.7(5) . . ?
C79_13 C80_13 C81_13 123.7(6) . . ?
C79_13 C80_13 H42_13 118.1 . . ?
C81_13 C80_13 H42_13 118.1 . . ?
N3_13 C81_13 C80_13 125.6(5) . . ?
N3_13 C81_13 C82_13 110.7(5) . . ?
C80_13 C81_13 C82_13 123.7(5) . . ?
C83_13 C82_13 C81_13 106.2(5) . . ?
C83_13 C82_13 C99_13 127.7(6) . . ?
C81_13 C82_13 C99_13 126.1(6) . . ?
C82_13 C83_13 C84_13 106.7(5) . . ?
C82_13 C83_13 C101_13 129.5(6) . . ?
C84_13 C83_13 C101_13 123.7(6) . . ?
N3_13 C84_13 C85_13 126.2(5) . . ?
N3_13 C84_13 C83_13 110.9(5) . . ?
C85_13 C84_13 C83_13 122.9(6) . . ?
C86_13 C85_13 C84_13 124.1(6) . . ?
C86_13 C85_13 H43_13 117.9 . . ?
C84_13 C85_13 H43_13 117.9 . . ?
N4_13 C86_13 C85_13 124.5(5) . . ?
N4_13 C86_13 C87_13 112.2(5) . . ?
C85_13 C86_13 C87_13 123.2(6) . . ?
C88_13 C87_13 C86_13 105.9(5) . . ?
C88_13 C87_13 C103_13 128.8(6) . . ?
C86_13 C87_13 C103_13 125.3(6) . . ?
C87_13 C88_13 C89_13 106.0(5) . . ?
C87_13 C88_13 C105_13 129.2(6) . . ?
C89_13 C88_13 C105_13 124.7(5) . . ?
N4_13 C89_13 C90_13 125.7(5) . . ?
N4_13 C89_13 C88_13 112.1(5) . . ?
C90_13 C89_13 C88_13 122.2(5) . . ?
C71_13 C90_13 C89_13 123.1(5) . . ?
C71_13 C90_13 H44_13 118.4 . . ?
C89_13 C90_13 H44_13 118.4 . . ?
C72_13 C91_13 C92_13 111.2(5) . . ?
C72_13 C91_13 H1_13 109.4 . . ?
C92_13 C91_13 H1_13 109.4 . . ?
C72_13 C91_13 H2_13 109.4 . . ?
C92_13 C91_13 H2_13 109.4 . . ?
H1_13 C91_13 H2_13 108.0 . . ?
C91_13 C92_13 H3_13 109.4 . . ?
C91_13 C92_13 H4_13 109.4 . . ?
H3_13 C92_13 H4_13 109.4 . . ?
C91_13 C92_13 H5_13 109.5 . . ?
H3_13 C92_13 H5_13 109.5 . . ?
H4_13 C92_13 H5_13 109.5 . . ?
C73_13 C93_13 C94_13 113.1(5) . . ?
C73_13 C93_13 H7_13 109.0 . . ?
C94_13 C93_13 H7_13 109.0 . . ?
C73_13 C93_13 H6_13 109.0 . . ?
C94_13 C93_13 H6_13 109.0 . . ?
H7_13 C93_13 H6_13 107.8 . . ?
C95_13 C96_13 H13_13 109.5 . . ?
C95_13 C96_13 H14_13 109.4 . . ?
H13_13 C96_13 H14_13 109.6 . . ?
C95_13 C96_13 H15_13 109.4 . . ?
H13_13 C96_13 H15_13 109.6 . . ?
H14_13 C96_13 H15_13 109.4 . . ?
C93_13 C94_13 H8_13 109.4 . . ?
C93_13 C94_13 H9_13 109.5 . . ?
H8_13 C94_13 H9_13 109.4 . . ?
C93_13 C94_13 H10_13 109.5 . . ?
H8_13 C94_13 H10_13 109.5 . . ?
H9_13 C94_13 H10_13 109.6 . . ?
C77_13 C95_13 C96_13 112.0(5) . . ?
C77_13 C95_13 H12_13 109.2 . . ?
C96_13 C95_13 H12_13 109.2 . . ?
C77_13 C95_13 H11_13 109.2 . . ?
C96_13 C95_13 H11_13 109.2 . . ?
H12_13 C95_13 H11_13 107.9 . . ?
C78_13 C97_13 C98_13 111.9(6) . . ?
C78_13 C97_13 H16_13 109.2 . . ?
C98_13 C97_13 H16_13 109.2 . . ?
C78_13 C97_13 H17_13 109.2 . . ?
C98_13 C97_13 H17_13 109.2 . . ?
H16_13 C97_13 H17_13 107.9 . . ?
C97_13 C98_13 H18_13 109.5 . . ?
C97_13 C98_13 H19_13 109.5 . . ?
H18_13 C98_13 H19_13 109.6 . . ?
C97_13 C98_13 H20_13 109.4 . . ?
H18_13 C98_13 H20_13 109.4 . . ?
H19_13 C98_13 H20_13 109.4 . . ?
C82_13 C99_13 C100_13 113.2(6) . . ?
C82_13 C99_13 H21_13 108.9 . . ?
C100_13 C99_13 H21_13 108.9 . . ?
C82_13 C99_13 H22_13 108.9 . . ?
C100_13 C99_13 H22_13 108.9 . . ?
H21_13 C99_13 H22_13 107.7 . . ?
C99_13 C100_13 H23_13 109.4 . . ?
C99_13 C100_13 H24_13 109.3 . . ?
H23_13 C100_13 H24_13 109.4 . . ?
C99_13 C100_13 H25_13 109.5 . . ?
H23_13 C100_13 H25_13 109.7 . . ?
H24_13 C100_13 H25_13 109.5 . . ?
C83_13 C101_13 C102_13 112.5(5) . . ?
C83_13 C101_13 H26_13 109.1 . . ?
C102_13 C101_13 H26_13 109.1 . . ?
C83_13 C101_13 H27_13 109.1 . . ?
C102_13 C101_13 H27_13 109.1 . . ?
H26_13 C101_13 H27_13 107.8 . . ?
C101_13 C102_13 H28_13 109.5 . . ?
C101_13 C102_13 H29_13 109.4 . . ?
H28_13 C102_13 H29_13 109.4 . . ?
C101_13 C102_13 H30_13 109.5 . . ?
H28_13 C102_13 H30_13 109.6 . . ?
H29_13 C102_13 H30_13 109.4 . . ?
C87_13 C103_13 C104_13 113.7(5) . . ?
C87_13 C103_13 H31_13 108.8 . . ?
C104_13 C103_13 H31_13 108.8 . . ?
C87_13 C103_13 H32_13 108.8 . . ?
C104_13 C103_13 H32_13 108.8 . . ?
H31_13 C103_13 H32_13 107.7 . . ?
C103_13 C104_13 H33_13 109.4 . . ?
C103_13 C104_13 H34_13 109.3 . . ?
H33_13 C104_13 H34_13 109.2 . . ?
C103_13 C104_13 H35_13 109.6 . . ?
H33_13 C104_13 H35_13 109.7 . . ?
H34_13 C104_13 H35_13 109.6 . . ?
C88_13 C105_13 C106_13 111.8(5) . . ?
C88_13 C105_13 H36_13 109.3 . . ?
C106_13 C105_13 H36_13 109.3 . . ?
C88_13 C105_13 H37_13 109.3 . . ?
C106_13 C105_13 H37_13 109.3 . . ?
H36_13 C105_13 H37_13 107.9 . . ?
C105_13 C106_13 H38_13 109.5 . . ?
C105_13 C106_13 H39_13 109.5 . . ?
H38_13 C106_13 H39_13 109.5 . . ?
C105_13 C106_13 H40_13 109.5 . . ?
H38_13 C106_13 H40_13 109.4 . . ?
H39_13 C106_13 H40_13 109.5 . . ?
N6_14 Ni11_14 N5_14 90.21(19) . . ?
N6_14 Ni11_14 N7_14 90.11(19) . . ?
N5_14 Ni11_14 N7_14 178.30(19) . . ?
N6_14 Ni11_14 N8_14 176.7(2) . . ?
N5_14 Ni11_14 N8_14 90.1(2) . . ?
N7_14 Ni11_14 N8_14 89.5(2) . . ?
C109_14 N5_14 C126_14 103.3(5) . . ?
C109_14 N5_14 Ni11_14 128.0(4) . . ?
C126_14 N5_14 Ni11_14 128.5(4) . . ?
C111_14 N6_14 C114_14 104.2(5) . . ?
C111_14 N6_14 Ni11_14 127.6(4) . . ?
C114_14 N6_14 Ni11_14 128.1(4) . . ?
C119_14 N7_14 C116_14 104.5(5) . . ?
C119_14 N7_14 Ni11_14 127.6(4) . . ?
C116_14 N7_14 Ni11_14 127.7(4) . . ?
C121_14 N8_14 C124_14 105.1(5) . . ?
C121_14 N8_14 Ni11_14 127.9(4) . . ?
C124_14 N8_14 Ni11_14 127.0(4) . . ?
C108_14 C107_14 C126_14 107.0(5) . . ?
C108_14 C107_14 C127_14 127.7(5) . . ?
C126_14 C107_14 C127_14 125.3(5) . . ?
C107_14 C108_14 C109_14 105.7(5) . . ?
C107_14 C108_14 C129_14 129.2(5) . . ?
C109_14 C108_14 C129_14 124.9(5) . . ?
N5_14 C109_14 C110_14 125.1(5) . . ?
N5_14 C109_14 C108_14 112.0(5) . . ?
C110_14 C109_14 C108_14 122.8(5) . . ?
C109_14 C110_14 C111_14 123.4(5) . . ?
C109_14 C110_14 H85_14 118.3 . . ?
C111_14 C110_14 H85_14 118.3 . . ?
N6_14 C111_14 C110_14 125.3(5) . . ?
N6_14 C111_14 C112_14 111.9(5) . . ?
C110_14 C111_14 C112_14 122.7(5) . . ?
C113_14 C112_14 C111_14 105.7(5) . . ?
C113_14 C112_14 C131_14 129.0(5) . . ?
C111_14 C112_14 C131_14 125.1(5) . . ?
C112_14 C113_14 C114_14 106.6(5) . . ?
C112_14 C113_14 C133_14 127.1(5) . . ?
C114_14 C113_14 C133_14 126.1(5) . . ?
N6_14 C114_14 C115_14 124.7(5) . . ?
N6_14 C114_14 C113_14 111.6(5) . . ?
C115_14 C114_14 C113_14 123.7(5) . . ?
C116_14 C115_14 C114_14 124.2(6) . . ?
C116_14 C115_14 H86_14 117.9 . . ?
C114_14 C115_14 H86_14 117.9 . . ?
C115_14 C116_14 N7_14 124.9(5) . . ?
C115_14 C116_14 C117_14 124.4(6) . . ?
N7_14 C116_14 C117_14 110.7(5) . . ?
C118_14 C117_14 C116_14 106.7(5) . . ?
C118_14 C117_14 C135_14 127.9(6) . . ?
C116_14 C117_14 C135_14 125.4(6) . . ?
C117_14 C118_14 C119_14 106.5(5) . . ?
C117_14 C118_14 C137_14 129.6(6) . . ?
C119_14 C118_14 C137_14 123.8(6) . . ?
N7_14 C119_14 C120_14 125.6(5) . . ?
N7_14 C119_14 C118_14 111.7(5) . . ?
C120_14 C119_14 C118_14 122.7(5) . . ?
C121_14 C120_14 C119_14 123.5(6) . . ?
C121_14 C120_14 H87_14 118.2 . . ?
C119_14 C120_14 H87_14 118.2 . . ?
N8_14 C121_14 C120_14 125.5(5) . . ?
N8_14 C121_14 C122_14 111.2(5) . . ?
C120_14 C121_14 C122_14 123.1(5) . . ?
C123_14 C122_14 C121_14 105.9(5) . . ?
C123_14 C122_14 C139_14 129.0(5) . . ?
C121_14 C122_14 C139_14 125.0(5) . . ?
C122_14 C123_14 C124_14 106.3(5) . . ?
C122_14 C123_14 C141_14 129.1(6) . . ?
C124_14 C123_14 C141_14 124.5(6) . . ?
N8_14 C124_14 C125_14 126.2(5) . . ?
N8_14 C124_14 C123_14 111.5(5) . . ?
C125_14 C124_14 C123_14 122.3(5) . . ?
C126_14 C125_14 C124_14 124.1(6) . . ?
C126_14 C125_14 H88_14 118.0 . . ?
C124_14 C125_14 H88_14 118.0 . . ?
C125_14 C126_14 N5_14 123.9(5) . . ?
C125_14 C126_14 C107_14 124.1(5) . . ?
N5_14 C126_14 C107_14 111.9(5) . . ?
C107_14 C127_14 C128_14 112.7(5) . . ?
C107_14 C127_14 H46_14 109.0 . . ?
C128_14 C127_14 H46_14 109.1 . . ?
C107_14 C127_14 H45_14 109.1 . . ?
C128_14 C127_14 H45_14 109.1 . . ?
H46_14 C127_14 H45_14 107.8 . . ?
C127_14 C128_14 H49_14 109.7 . . ?
C127_14 C128_14 H48_14 109.6 . . ?
H49_14 C128_14 H48_14 109.4 . . ?
C127_14 C128_14 H47_14 109.6 . . ?
H49_14 C128_14 H47_14 109.4 . . ?
H48_14 C128_14 H47_14 109.3 . . ?
C108_14 C129_14 C130_14 113.0(5) . . ?
C108_14 C129_14 H51_14 109.0 . . ?
C130_14 C129_14 H51_14 109.0 . . ?
C108_14 C129_14 H50_14 109.0 . . ?
C130_14 C129_14 H50_14 109.0 . . ?
H51_14 C129_14 H50_14 107.8 . . ?
C129_14 C130_14 H54_14 109.5 . . ?
C129_14 C130_14 H53_14 109.5 . . ?
H54_14 C130_14 H53_14 109.5 . . ?
C129_14 C130_14 H52_14 109.5 . . ?
H54_14 C130_14 H52_14 109.5 . . ?
H53_14 C130_14 H52_14 109.5 . . ?
C112_14 C131_14 C132_14 111.5(5) . . ?
C112_14 C131_14 H56_14 109.3 . . ?
C132_14 C131_14 H56_14 109.3 . . ?
C112_14 C131_14 H55_14 109.3 . . ?
C132_14 C131_14 H55_14 109.3 . . ?
H56_14 C131_14 H55_14 108.0 . . ?
C131_14 C132_14 H59_14 109.4 . . ?
C131_14 C132_14 H58_14 109.6 . . ?
H59_14 C132_14 H58_14 109.4 . . ?
C131_14 C132_14 H57_14 109.5 . . ?
H59_14 C132_14 H57_14 109.4 . . ?
H58_14 C132_14 H57_14 109.5 . . ?
C113_14 C133_14 C134_14 110.9(5) . . ?
C113_14 C133_14 H61_14 109.5 . . ?
C134_14 C133_14 H61_14 109.5 . . ?
C113_14 C133_14 H60_14 109.5 . . ?
C134_14 C133_14 H60_14 109.5 . . ?
H61_14 C133_14 H60_14 108.1 . . ?
C133_14 C134_14 H64_14 109.5 . . ?
C133_14 C134_14 H63_14 109.4 . . ?
H64_14 C134_14 H63_14 109.5 . . ?
C133_14 C134_14 H62_14 109.5 . . ?
H64_14 C134_14 H62_14 109.6 . . ?
H63_14 C134_14 H62_14 109.4 . . ?
C117_14 C135_14 C136_14 114.0(6) . . ?
C117_14 C135_14 H66_14 108.8 . . ?
C136_14 C135_14 H66_14 108.8 . . ?
C117_14 C135_14 H65_14 108.8 . . ?
C136_14 C135_14 H65_14 108.8 . . ?
H66_14 C135_14 H65_14 107.6 . . ?
C135_14 C136_14 H69_14 109.4 . . ?
C135_14 C136_14 H68_14 109.6 . . ?
H69_14 C136_14 H68_14 109.5 . . ?
C135_14 C136_14 H67_14 109.4 . . ?
H69_14 C136_14 H67_14 109.4 . . ?
H68_14 C136_14 H67_14 109.5 . . ?
C118_14 C137_14 C138_14 112.9(5) . . ?
C118_14 C137_14 H71_14 109.0 . . ?
C138_14 C137_14 H71_14 109.0 . . ?
C118_14 C137_14 H70_14 109.0 . . ?
C138_14 C137_14 H70_14 109.0 . . ?
H71_14 C137_14 H70_14 107.8 . . ?
C137_14 C138_14 H74_14 109.6 . . ?
C137_14 C138_14 H73_14 109.5 . . ?
H74_14 C138_14 H73_14 109.3 . . ?
C137_14 C138_14 H72_14 109.6 . . ?
H74_14 C138_14 H72_14 109.4 . . ?
H73_14 C138_14 H72_14 109.3 . . ?
C122_14 C139_14 C140_14 112.7(5) . . ?
C122_14 C139_14 H76_14 109.0 . . ?
C140_14 C139_14 H76_14 109.0 . . ?
C122_14 C139_14 H75_14 109.0 . . ?
C140_14 C139_14 H75_14 109.0 . . ?
H76_14 C139_14 H75_14 107.8 . . ?
C139_14 C140_14 H79_14 109.4 . . ?
C139_14 C140_14 H78_14 109.5 . . ?
H79_14 C140_14 H78_14 109.4 . . ?
C139_14 C140_14 H77_14 109.6 . . ?
H79_14 C140_14 H77_14 109.5 . . ?
H78_14 C140_14 H77_14 109.5 . . ?
C123_14 C141_14 C142_14 111.5(5) . . ?
C123_14 C141_14 H81_14 109.3 . . ?
C142_14 C141_14 H81_14 109.3 . . ?
C123_14 C141_14 H80_14 109.3 . . ?
C142_14 C141_14 H80_14 109.3 . . ?
H81_14 C141_14 H80_14 108.0 . . ?
C141_14 C142_14 H84_14 109.5 . . ?
C141_14 C142_14 H83_14 109.4 . . ?
H84_14 C142_14 H83_14 109.3 . . ?
C141_14 C142_14 H82_14 109.6 . . ?
H84_14 C142_14 H82_14 109.5 . . ?
H83_14 C142_14 H82_14 109.5 . . ?
N12_15 Ni4_15 N10_15 176.71(19) . . ?
N12_15 Ni4_15 N11_15 89.92(19) . . ?
N10_15 Ni4_15 N11_15 90.05(19) . . ?
N12_15 Ni4_15 N9_15 90.12(19) . . ?
N10_15 Ni4_15 N9_15 89.83(19) . . ?
N11_15 Ni4_15 N9_15 178.6(2) . . ?
C161_15 N9_15 C144_15 104.5(5) . . ?
C161_15 N9_15 Ni4_15 128.0(4) . . ?
C144_15 N9_15 Ni4_15 127.4(4) . . ?
C146_15 N10_15 C149_15 104.5(5) . . ?
C146_15 N10_15 Ni4_15 128.2(4) . . ?
C149_15 N10_15 Ni4_15 127.3(4) . . ?
C154_15 N11_15 C151_15 104.7(5) . . ?
C154_15 N11_15 Ni4_15 127.4(4) . . ?
C151_15 N11_15 Ni4_15 127.8(4) . . ?
C156_15 N12_15 C159_15 104.2(5) . . ?
C156_15 N12_15 Ni4_15 128.1(4) . . ?
C159_15 N12_15 Ni4_15 127.7(4) . . ?
C162_15 C143_15 C144_15 106.5(5) . . ?
C162_15 C143_15 C165_15 130.3(5) . . ?
C144_15 C143_15 C165_15 123.0(5) . . ?
N9_15 C144_15 C145_15 125.6(5) . . ?
N9_15 C144_15 C143_15 111.0(5) . . ?
C145_15 C144_15 C143_15 123.3(5) . . ?
C146_15 C145_15 C144_15 123.5(6) . . ?
C146_15 C145_15 H129_15 118.2 . . ?
C144_15 C145_15 H129_15 118.2 . . ?
N10_15 C146_15 C145_15 125.3(5) . . ?
N10_15 C146_15 C147_15 111.9(5) . . ?
C145_15 C146_15 C147_15 122.7(5) . . ?
C148_15 C147_15 C146_15 106.1(5) . . ?
C148_15 C147_15 C167_15 128.5(5) . . ?
C146_15 C147_15 C167_15 125.4(5) . . ?
C147_15 C148_15 C149_15 106.4(5) . . ?
C147_15 C148_15 C169_15 129.4(6) . . ?
C149_15 C148_15 C169_15 124.1(5) . . ?
C150_15 C149_15 N10_15 125.5(5) . . ?
C150_15 C149_15 C148_15 123.4(5) . . ?
N10_15 C149_15 C148_15 111.1(5) . . ?
C151_15 C150_15 C149_15 124.1(6) . . ?
C151_15 C150_15 H130_15 117.9 . . ?
C149_15 C150_15 H130_15 117.9 . . ?
C150_15 C151_15 N11_15 125.1(6) . . ?
C150_15 C151_15 C152_15 123.7(6) . . ?
N11_15 C151_15 C152_15 111.2(5) . . ?
C153_15 C152_15 C151_15 106.7(5) . . ?
C153_15 C152_15 C171_15 128.3(6) . . ?
C151_15 C152_15 C171_15 124.9(6) . . ?
C152_15 C153_15 C154_15 105.8(5) . . ?
C152_15 C153_15 C173_15 128.9(6) . . ?
C154_15 C153_15 C173_15 125.2(5) . . ?
N11_15 C154_15 C155_15 126.1(5) . . ?
N11_15 C154_15 C153_15 111.6(5) . . ?
C155_15 C154_15 C153_15 122.3(5) . . ?
C154_15 C155_15 C156_15 122.9(5) . . ?
C154_15 C155_15 H131_15 118.5 . . ?
C156_15 C155_15 H131_15 118.5 . . ?
N12_15 C156_15 C155_15 125.5(5) . . ?
N12_15 C156_15 C157_15 112.4(5) . . ?
C155_15 C156_15 C157_15 122.1(5) . . ?
C158_15 C157_15 C156_15 105.7(5) . . ?
C158_15 C157_15 C175_15 128.3(5) . . ?
C156_15 C157_15 C175_15 125.8(5) . . ?
C157_15 C158_15 C159_15 107.0(5) . . ?
C157_15 C158_15 C177_15 127.1(6) . . ?
C159_15 C158_15 C177_15 125.8(6) . . ?
C160_15 C159_15 N12_15 124.9(5) . . ?
C160_15 C159_15 C158_15 124.4(6) . . ?
N12_15 C159_15 C158_15 110.7(5) . . ?
C159_15 C160_15 C161_15 124.5(6) . . ?
C159_15 C160_15 H132_15 117.8 . . ?
C161_15 C160_15 H132_15 117.8 . . ?
N9_15 C161_15 C160_15 124.8(5) . . ?
N9_15 C161_15 C162_15 111.3(5) . . ?
C160_15 C161_15 C162_15 123.9(5) . . ?
C143_15 C162_15 C161_15 106.6(5) . . ?
C143_15 C162_15 C163_15 127.8(5) . . ?
C161_15 C162_15 C163_15 125.5(5) . . ?
C162_15 C163_15 C164_15 112.9(5) . . ?
C162_15 C163_15 H89_15 109.0 . . ?
C164_15 C163_15 H89_15 109.0 . . ?
C162_15 C163_15 H90_15 109.0 . . ?
C164_15 C163_15 H90_15 109.0 . . ?
H89_15 C163_15 H90_15 107.8 . . ?
C163_15 C164_15 H93_15 109.5 . . ?
C163_15 C164_15 H92_15 109.5 . . ?
H93_15 C164_15 H92_15 109.4 . . ?
C163_15 C164_15 H91_15 109.6 . . ?
H93_15 C164_15 H91_15 109.5 . . ?
H92_15 C164_15 H91_15 109.4 . . ?
C143_15 C165_15 C166_15 112.6(5) . . ?
C143_15 C165_15 H95_15 109.1 . . ?
C166_15 C165_15 H95_15 109.1 . . ?
C143_15 C165_15 H94_15 109.1 . . ?
C166_15 C165_15 H94_15 109.1 . . ?
H95_15 C165_15 H94_15 107.8 . . ?
C165_15 C166_15 H96_15 109.4 . . ?
C165_15 C166_15 H97_15 109.5 . . ?
H96_15 C166_15 H97_15 109.5 . . ?
C165_15 C166_15 H98_15 109.4 . . ?
H96_15 C166_15 H98_15 109.4 . . ?
H97_15 C166_15 H98_15 109.6 . . ?
C147_15 C167_15 C168_15 112.8(5) . . ?
C147_15 C167_15 H100_15 109.0 . . ?
C168_15 C167_15 H100_15 109.0 . . ?
C147_15 C167_15 H99_15 109.0 . . ?
C168_15 C167_15 H99_15 109.0 . . ?
H100_15 C167_15 H99_15 107.8 . . ?
C167_15 C168_15 H101_15 109.6 . . ?
C167_15 C168_15 H102_15 109.5 . . ?
H101_15 C168_15 H102_15 109.5 . . ?
C167_15 C168_15 H103_15 109.5 . . ?
H101_15 C168_15 H103_15 109.5 . . ?
H102_15 C168_15 H103_15 109.4 . . ?
C148_15 C169_15 C170_15 111.4(5) . . ?
C148_15 C169_15 H105_15 109.4 . . ?
C170_15 C169_15 H105_15 109.4 . . ?
C148_15 C169_15 H104_15 109.4 . . ?
C170_15 C169_15 H104_15 109.4 . . ?
H105_15 C169_15 H104_15 108.0 . . ?
C169_15 C170_15 H108_15 109.4 . . ?
C169_15 C170_15 H107_15 109.4 . . ?
H108_15 C170_15 H107_15 109.5 . . ?
C169_15 C170_15 H106_15 109.4 . . ?
H108_15 C170_15 H106_15 109.6 . . ?
H107_15 C170_15 H106_15 109.6 . . ?
C152_15 C171_15 C172_15 112.8(5) . . ?
C152_15 C171_15 H109_15 109.0 . . ?
C172_15 C171_15 H109_15 109.0 . . ?
C152_15 C171_15 H110_15 109.0 . . ?
C172_15 C171_15 H110_15 109.0 . . ?
H109_15 C171_15 H110_15 107.8 . . ?
C171_15 C172_15 H111_15 109.4 . . ?
C171_15 C172_15 H112_15 109.5 . . ?
H111_15 C172_15 H112_15 109.5 . . ?
C171_15 C172_15 H113_15 109.5 . . ?
H111_15 C172_15 H113_15 109.5 . . ?
H112_15 C172_15 H113_15 109.5 . . ?
C153_15 C173_15 C174_15 113.3(5) . . ?
C153_15 C173_15 H114_15 108.9 . . ?
C174_15 C173_15 H114_15 108.9 . . ?
C153_15 C173_15 H115_15 108.9 . . ?
C174_15 C173_15 H115_15 108.9 . . ?
H114_15 C173_15 H115_15 107.7 . . ?
C173_15 C174_15 H118_15 109.5 . . ?
C173_15 C174_15 H117_15 109.4 . . ?
H118_15 C174_15 H117_15 109.6 . . ?
C173_15 C174_15 H116_15 109.4 . . ?
H118_15 C174_15 H116_15 109.6 . . ?
H117_15 C174_15 H116_15 109.4 . . ?
C157_15 C175_15 C176_15 111.6(5) . . ?
C157_15 C175_15 H120_15 109.3 . . ?
C176_15 C175_15 H120_15 109.3 . . ?
C157_15 C175_15 H119_15 109.3 . . ?
C176_15 C175_15 H119_15 109.3 . . ?
H120_15 C175_15 H119_15 108.0 . . ?
C175_15 C176_15 H121_15 109.5 . . ?
C175_15 C176_15 H122_15 109.4 . . ?
H121_15 C176_15 H122_15 109.5 . . ?
C175_15 C176_15 H123_15 109.5 . . ?
H121_15 C176_15 H123_15 109.5 . . ?
H122_15 C176_15 H123_15 109.4 . . ?
C158_15 C177_15 C178_15 112.6(6) . . ?
C158_15 C177_15 H125_15 109.1 . . ?
C178_15 C177_15 H125_15 109.1 . . ?
C158_15 C177_15 H124_15 109.1 . . ?
C178_15 C177_15 H124_15 109.1 . . ?
H125_15 C177_15 H124_15 107.8 . . ?
C177_15 C178_15 H126_15 109.6 . . ?
C177_15 C178_15 H127_15 109.4 . . ?
H126_15 C178_15 H127_15 109.3 . . ?
C177_15 C178_15 H128_15 109.6 . . ?
H126_15 C178_15 H128_15 109.6 . . ?
H127_15 C178_15 H128_15 109.3 . . ?
N15_16 Ni9_16 N16_16 90.4(2) . . ?
N15_16 Ni9_16 N13_16 178.0(2) . . ?
N16_16 Ni9_16 N13_16 89.6(2) . . ?
N15_16 Ni9_16 N14_16 89.4(2) . . ?
N16_16 Ni9_16 N14_16 178.30(19) . . ?
N13_16 Ni9_16 N14_16 90.5(2) . . ?
C179_16 N13_16 C196_16 104.2(5) . . ?
C179_16 N13_16 Ni9_16 128.0(4) . . ?
C196_16 N13_16 Ni9_16 127.9(4) . . ?
C184_16 N14_16 C181_16 104.5(5) . . ?
C184_16 N14_16 Ni9_16 128.4(4) . . ?
C181_16 N14_16 Ni9_16 127.1(4) . . ?
C186_16 N15_16 C189_16 104.4(5) . . ?
C186_16 N15_16 Ni9_16 128.3(4) . . ?
C189_16 N15_16 Ni9_16 127.3(4) . . ?
C191_16 N16_16 C194_16 104.6(5) . . ?
C191_16 N16_16 Ni9_16 127.2(4) . . ?
C194_16 N16_16 Ni9_16 128.2(4) . . ?
N13_16 C179_16 C180_16 125.1(5) . . ?
N13_16 C179_16 C198_16 112.3(5) . . ?
C180_16 C179_16 C198_16 122.6(6) . . ?
C181_16 C180_16 C179_16 123.5(5) . . ?
C181_16 C180_16 H173_16 118.3 . . ?
C179_16 C180_16 H173_16 118.3 . . ?
N14_16 C181_16 C180_16 125.9(5) . . ?
N14_16 C181_16 C182_16 111.6(5) . . ?
C180_16 C181_16 C182_16 122.5(5) . . ?
C183_16 C182_16 C181_16 106.4(5) . . ?
C183_16 C182_16 C201_16 129.3(6) . . ?
C181_16 C182_16 C201_16 124.3(5) . . ?
C182_16 C183_16 C184_16 105.7(5) . . ?
C182_16 C183_16 C203_16 127.5(6) . . ?
C184_16 C183_16 C203_16 126.7(6) . . ?
N14_16 C184_16 C185_16 125.6(5) . . ?
N14_16 C184_16 C183_16 111.7(5) . . ?
C185_16 C184_16 C183_16 122.6(5) . . ?
C184_16 C185_16 C186_16 123.1(5) . . ?
C184_16 C185_16 H174_16 118.4 . . ?
C186_16 C185_16 H174_16 118.4 . . ?
N15_16 C186_16 C185_16 125.0(5) . . ?
N15_16 C186_16 C187_16 111.5(5) . . ?
C185_16 C186_16 C187_16 123.5(5) . . ?
C188_16 C187_16 C186_16 106.1(5) . . ?
C188_16 C187_16 C205_16 127.6(6) . . ?
C186_16 C187_16 C205_16 126.2(6) . . ?
C187_16 C188_16 C189_16 106.9(5) . . ?
C187_16 C188_16 C207_16 128.7(5) . . ?
C189_16 C188_16 C207_16 124.3(5) . . ?
C190_16 C189_16 N15_16 125.3(5) . . ?
C190_16 C189_16 C188_16 123.6(5) . . ?
N15_16 C189_16 C188_16 111.2(5) . . ?
C189_16 C190_16 C191_16 124.3(6) . . ?
C189_16 C190_16 H175_16 117.8 . . ?
C191_16 C190_16 H175_16 117.8 . . ?
N16_16 C191_16 C190_16 125.5(5) . . ?
N16_16 C191_16 C192_16 111.5(5) . . ?
C190_16 C191_16 C192_16 122.9(5) . . ?
C193_16 C192_16 C191_16 106.6(5) . . ?
C193_16 C192_16 C209_16 128.5(5) . . ?
C191_16 C192_16 C209_16 124.9(5) . . ?
C192_16 C193_16 C194_16 105.7(5) . . ?
C192_16 C193_16 C211_16 129.2(6) . . ?
C194_16 C193_16 C211_16 125.0(5) . . ?
N16_16 C194_16 C195_16 125.5(5) . . ?
N16_16 C194_16 C193_16 111.6(5) . . ?
C195_16 C194_16 C193_16 122.9(5) . . ?
C194_16 C195_16 C196_16 122.7(5) . . ?
C194_16 C195_16 H176_16 118.7 . . ?
C196_16 C195_16 H176_16 118.7 . . ?
N13_16 C196_16 C195_16 126.2(5) . . ?
N13_16 C196_16 C197_16 111.6(5) . . ?
C195_16 C196_16 C197_16 122.2(5) . . ?
C198_16 C197_16 C196_16 106.2(5) . . ?
C198_16 C197_16 C213_16 129.2(6) . . ?
C196_16 C197_16 C213_16 124.4(5) . . ?
C197_16 C198_16 C179_16 105.7(5) . . ?
C197_16 C198_16 C199_16 128.8(6) . . ?
C179_16 C198_16 C199_16 125.5(6) . . ?
C198_16 C199_16 C200_16 113.7(5) . . ?
C198_16 C199_16 H134_16 108.8 . . ?
C200_16 C199_16 H134_16 108.8 . . ?
C198_16 C199_16 H133_16 108.8 . . ?
C200_16 C199_16 H133_16 108.8 . . ?
H134_16 C199_16 H133_16 107.7 . . ?
C199_16 C200_16 H137_16 109.5 . . ?
C199_16 C200_16 H136_16 109.4 . . ?
H137_16 C200_16 H136_16 109.5 . . ?
C199_16 C200_16 H135_16 109.5 . . ?
H137_16 C200_16 H135_16 109.5 . . ?
H136_16 C200_16 H135_16 109.5 . . ?
C182_16 C201_16 C202_16 112.6(5) . . ?
C182_16 C201_16 H139_16 109.1 . . ?
C202_16 C201_16 H139_16 109.1 . . ?
C182_16 C201_16 H138_16 109.1 . . ?
C202_16 C201_16 H138_16 109.1 . . ?
H139_16 C201_16 H138_16 107.8 . . ?
C201_16 C202_16 H142_16 109.6 . . ?
C201_16 C202_16 H141_16 109.5 . . ?
H142_16 C202_16 H141_16 109.3 . . ?
C201_16 C202_16 H140_16 109.6 . . ?
H142_16 C202_16 H140_16 109.5 . . ?
H141_16 C202_16 H140_16 109.3 . . ?
C183_16 C203_16 C204_16 113.1(6) . . ?
C183_16 C203_16 H144_16 109.0 . . ?
C204_16 C203_16 H144_16 109.0 . . ?
C183_16 C203_16 H143_16 109.0 . . ?
C204_16 C203_16 H143_16 109.0 . . ?
H144_16 C203_16 H143_16 107.8 . . ?
C203_16 C204_16 H147_16 109.3 . . ?
C203_16 C204_16 H146_16 109.3 . . ?
H147_16 C204_16 H146_16 109.4 . . ?
C203_16 C204_16 H145_16 109.5 . . ?
H147_16 C204_16 H145_16 109.7 . . ?
H146_16 C204_16 H145_16 109.6 . . ?
C187_16 C205_16 C206_16 111.8(6) . . ?
C187_16 C205_16 H149_16 109.3 . . ?
C206_16 C205_16 H149_16 109.3 . . ?
C187_16 C205_16 H148_16 109.3 . . ?
C206_16 C205_16 H148_16 109.3 . . ?
H149_16 C205_16 H148_16 107.9 . . ?
C205_16 C206_16 H152_16 109.3 . . ?
C205_16 C206_16 H151_16 109.2 . . ?
H152_16 C206_16 H151_16 109.4 . . ?
C205_16 C206_16 H150_16 109.5 . . ?
H152_16 C206_16 H150_16 109.7 . . ?
H151_16 C206_16 H150_16 109.7 . . ?
C188_16 C207_16 C208_16 112.1(5) . . ?
C188_16 C207_16 H154_16 109.2 . . ?
C208_16 C207_16 H154_16 109.2 . . ?
C188_16 C207_16 H153_16 109.2 . . ?
C208_16 C207_16 H153_16 109.2 . . ?
H154_16 C207_16 H153_16 107.9 . . ?
C207_16 C208_16 H157_16 109.7 . . ?
C207_16 C208_16 H156_16 109.7 . . ?
H157_16 C208_16 H156_16 109.4 . . ?
C207_16 C208_16 H155_16 109.6 . . ?
H157_16 C208_16 H155_16 109.2 . . ?
H156_16 C208_16 H155_16 109.2 . . ?
C192_16 C209_16 C210_16 113.4(5) . . ?
C192_16 C209_16 H159_16 108.9 . . ?
C210_16 C209_16 H159_16 108.9 . . ?
C192_16 C209_16 H158_16 108.9 . . ?
C210_16 C209_16 H158_16 108.9 . . ?
H159_16 C209_16 H158_16 107.7 . . ?
C209_16 C210_16 H162_16 109.6 . . ?
C209_16 C210_16 H161_16 109.6 . . ?
H162_16 C210_16 H161_16 109.5 . . ?
C209_16 C210_16 H160_16 109.5 . . ?
H162_16 C210_16 H160_16 109.3 . . ?
H161_16 C210_16 H160_16 109.4 . . ?
C193_16 C211_16 C212_16 112.1(5) . . ?
C193_16 C211_16 H164_16 109.2 . . ?
C212_16 C211_16 H164_16 109.2 . . ?
C193_16 C211_16 H163_16 109.2 . . ?
C212_16 C211_16 H163_16 109.2 . . ?
H164_16 C211_16 H163_16 107.9 . . ?
C211_16 C212_16 H167_16 109.5 . . ?
C211_16 C212_16 H166_16 109.4 . . ?
H167_16 C212_16 H166_16 109.4 . . ?
C211_16 C212_16 H165_16 109.5 . . ?
H167_16 C212_16 H165_16 109.5 . . ?
H166_16 C212_16 H165_16 109.5 . . ?
C197_16 C213_16 C214_16 111.5(5) . . ?
C197_16 C213_16 H169_16 109.3 . . ?
C214_16 C213_16 H169_16 109.3 . . ?
C197_16 C213_16 H168_16 109.3 . . ?
C214_16 C213_16 H168_16 109.3 . . ?
H169_16 C213_16 H168_16 108.0 . . ?
C213_16 C214_16 H172_16 109.5 . . ?
C213_16 C214_16 H171_16 109.4 . . ?
H172_16 C214_16 H171_16 109.5 . . ?
C213_16 C214_16 H170_16 109.5 . . ?
H172_16 C214_16 H170_16 109.5 . . ?
H171_16 C214_16 H170_16 109.4 . . ?
N17_24 Ni2_24 N20_24 89.71(19) . . ?
N17_24 Ni2_24 N19_24 178.0(2) . . ?
N20_24 Ni2_24 N19_24 90.3(2) . . ?
N17_24 Ni2_24 N18_24 90.30(19) . . ?
N20_24 Ni2_24 N18_24 177.80(19) . . ?
N19_24 Ni2_24 N18_24 89.6(2) . . ?
C219_24 N17_24 C216_24 103.7(5) . . ?
C219_24 N17_24 Ni2_24 127.6(4) . . ?
C216_24 N17_24 Ni2_24 128.6(4) . . ?
C224_24 N18_24 C221_24 104.2(5) . . ?
C224_24 N18_24 Ni2_24 128.2(4) . . ?
C221_24 N18_24 Ni2_24 127.5(4) . . ?
C229_24 N19_24 C226_24 104.8(5) . . ?
C229_24 N19_24 Ni2_24 127.9(4) . . ?
C226_24 N19_24 Ni2_24 127.3(4) . . ?
C231_24 N20_24 C234_24 104.3(5) . . ?
C231_24 N20_24 Ni2_24 126.9(4) . . ?
C234_24 N20_24 Ni2_24 128.7(4) . . ?
C216_24 C215_24 C234_24 124.7(6) . . ?
C216_24 C215_24 H217_24 117.7 . . ?
C234_24 C215_24 H217_24 117.7 . . ?
C215_24 C216_24 N17_24 124.4(5) . . ?
C215_24 C216_24 C217_24 123.8(6) . . ?
N17_24 C216_24 C217_24 111.7(5) . . ?
C218_24 C217_24 C216_24 106.8(5) . . ?
C218_24 C217_24 C235_24 126.9(6) . . ?
C216_24 C217_24 C235_24 126.2(6) . . ?
C217_24 C218_24 C219_24 106.0(5) . . ?
C217_24 C218_24 C237_24 129.8(6) . . ?
C219_24 C218_24 C237_24 124.1(5) . . ?
N17_24 C219_24 C220_24 125.2(5) . . ?
N17_24 C219_24 C218_24 111.8(5) . . ?
C220_24 C219_24 C218_24 122.9(6) . . ?
C221_24 C220_24 C219_24 124.6(6) . . ?
C221_24 C220_24 H218_24 117.7 . . ?
C219_24 C220_24 H218_24 117.7 . . ?
N18_24 C221_24 C220_24 124.7(5) . . ?
N18_24 C221_24 C222_24 111.8(5) . . ?
C220_24 C221_24 C222_24 123.4(5) . . ?
C223_24 C222_24 C221_24 106.3(5) . . ?
C223_24 C222_24 C239_24 128.8(5) . . ?
C221_24 C222_24 C239_24 124.8(5) . . ?
C222_24 C223_24 C224_24 106.0(5) . . ?
C222_24 C223_24 C241_24 128.7(6) . . ?
C224_24 C223_24 C241_24 125.0(5) . . ?
N18_24 C224_24 C225_24 124.9(6) . . ?
N18_24 C224_24 C223_24 111.5(5) . . ?
C225_24 C224_24 C223_24 123.5(6) . . ?
C226_24 C225_24 C224_24 123.6(6) . . ?
C226_24 C225_24 H219_24 118.2 . . ?
C224_24 C225_24 H219_24 118.2 . . ?
N19_24 C226_24 C225_24 126.3(5) . . ?
N19_24 C226_24 C227_24 111.1(5) . . ?
C225_24 C226_24 C227_24 122.6(5) . . ?
C228_24 C227_24 C226_24 106.0(5) . . ?
C228_24 C227_24 C243_24 129.5(6) . . ?
C226_24 C227_24 C243_24 124.3(5) . . ?
C227_24 C228_24 C229_24 106.0(5) . . ?
C227_24 C228_24 C245_24 128.1(6) . . ?
C229_24 C228_24 C245_24 125.9(6) . . ?
N19_24 C229_24 C230_24 124.7(5) . . ?
N19_24 C229_24 C228_24 112.1(5) . . ?
C230_24 C229_24 C228_24 123.1(6) . . ?
C231_24 C230_24 C229_24 123.9(6) . . ?
C231_24 C230_24 H220_24 118.1 . . ?
C229_24 C230_24 H220_24 118.1 . . ?
C230_24 C231_24 N20_24 126.2(5) . . ?
C230_24 C231_24 C232_24 122.8(6) . . ?
N20_24 C231_24 C232_24 111.0(5) . . ?
C233_24 C232_24 C231_24 106.4(5) . . ?
C233_24 C232_24 C247_24 129.0(6) . . ?
C231_24 C232_24 C247_24 124.5(6) . . ?
C232_24 C233_24 C234_24 106.8(5) . . ?
C232_24 C233_24 C249_24 128.0(6) . . ?
C234_24 C233_24 C249_24 125.1(6) . . ?
N20_24 C234_24 C215_24 123.8(5) . . ?
N20_24 C234_24 C233_24 111.4(5) . . ?
C215_24 C234_24 C233_24 124.8(6) . . ?
C217_24 C235_24 C236_24 113.2(6) . . ?
C217_24 C235_24 H178_24 108.9 . . ?
C236_24 C235_24 H178_24 108.9 . . ?
C217_24 C235_24 H177_24 108.9 . . ?
C236_24 C235_24 H177_24 108.9 . . ?
H178_24 C235_24 H177_24 107.8 . . ?
C235_24 C236_24 H181_24 109.5 . . ?
C235_24 C236_24 H180_24 109.6 . . ?
H181_24 C236_24 H180_24 109.5 . . ?
C235_24 C236_24 H179_24 109.4 . . ?
H181_24 C236_24 H179_24 109.3 . . ?
H180_24 C236_24 H179_24 109.4 . . ?
C218_24 C237_24 C238_24 112.0(5) . . ?
C218_24 C237_24 H183_24 109.2 . . ?
C238_24 C237_24 H183_24 109.2 . . ?
C218_24 C237_24 H182_24 109.2 . . ?
C238_24 C237_24 H182_24 109.2 . . ?
H183_24 C237_24 H182_24 107.9 . . ?
C237_24 C238_24 H186_24 109.6 . . ?
C237_24 C238_24 H185_24 109.6 . . ?
H186_24 C238_24 H185_24 109.4 . . ?
C237_24 C238_24 H184_24 109.6 . . ?
H186_24 C238_24 H184_24 109.3 . . ?
H185_24 C238_24 H184_24 109.3 . . ?
C222_24 C239_24 C240_24 113.9(5) . . ?
C222_24 C239_24 H188_24 108.8 . . ?
C240_24 C239_24 H188_24 108.8 . . ?
C222_24 C239_24 H187_24 108.8 . . ?
C240_24 C239_24 H187_24 108.8 . . ?
H188_24 C239_24 H187_24 107.7 . . ?
C239_24 C240_24 H191_24 109.5 . . ?
C239_24 C240_24 H190_24 109.3 . . ?
H191_24 C240_24 H190_24 109.5 . . ?
C239_24 C240_24 H189_24 109.4 . . ?
H191_24 C240_24 H189_24 109.6 . . ?
H190_24 C240_24 H189_24 109.5 . . ?
C223_24 C241_24 C242_24 111.9(5) . . ?
C223_24 C241_24 H193_24 109.2 . . ?
C242_24 C241_24 H193_24 109.2 . . ?
C223_24 C241_24 H192_24 109.2 . . ?
C242_24 C241_24 H192_24 109.2 . . ?
H193_24 C241_24 H192_24 107.9 . . ?
C241_24 C242_24 H196_24 109.6 . . ?
C241_24 C242_24 H195_24 109.4 . . ?
H196_24 C242_24 H195_24 109.4 . . ?
C241_24 C242_24 H194_24 109.6 . . ?
H196_24 C242_24 H194_24 109.6 . . ?
H195_24 C242_24 H194_24 109.3 . . ?
C227_24 C243_24 C244_24 113.0(5) . . ?
C227_24 C243_24 H198_24 109.0 . . ?
C244_24 C243_24 H198_24 109.0 . . ?
C227_24 C243_24 H197_24 109.0 . . ?
C244_24 C243_24 H197_24 109.0 . . ?
H198_24 C243_24 H197_24 107.8 . . ?
C243_24 C244_24 H201_24 109.4 . . ?
C243_24 C244_24 H200_24 109.4 . . ?
H201_24 C244_24 H200_24 109.4 . . ?
C243_24 C244_24 H199_24 109.6 . . ?
H201_24 C244_24 H199_24 109.6 . . ?
H200_24 C244_24 H199_24 109.5 . . ?
C228_24 C245_24 C246_24 113.7(5) . . ?
C228_24 C245_24 H203_24 108.8 . . ?
C246_24 C245_24 H203_24 108.8 . . ?
C228_24 C245_24 H202_24 108.8 . . ?
C246_24 C245_24 H202_24 108.8 . . ?
H203_24 C245_24 H202_24 107.7 . . ?
C245_24 C246_24 H206_24 109.6 . . ?
C245_24 C246_24 H205_24 109.6 . . ?
H206_24 C246_24 H205_24 109.4 . . ?
C245_24 C246_24 H204_24 109.5 . . ?
H206_24 C246_24 H204_24 109.4 . . ?
H205_24 C246_24 H204_24 109.3 . . ?
C232_24 C247_24 C248_24 113.6(5) . . ?
C232_24 C247_24 H208_24 108.9 . . ?
C248_24 C247_24 H208_24 108.9 . . ?
C232_24 C247_24 H207_24 108.9 . . ?
C248_24 C247_24 H207_24 108.9 . . ?
H208_24 C247_24 H207_24 107.7 . . ?
C247_24 C248_24 H211_24 109.5 . . ?
C247_24 C248_24 H210_24 109.5 . . ?
H211_24 C248_24 H210_24 109.5 . . ?
C247_24 C248_24 H209_24 109.5 . . ?
H211_24 C248_24 H209_24 109.5 . . ?
H210_24 C248_24 H209_24 109.4 . . ?
C250_24 C249_24 C233_24 113.2(6) . . ?
C250_24 C249_24 H213_24 108.9 . . ?
C233_24 C249_24 H213_24 108.9 . . ?
C250_24 C249_24 H212_24 108.9 . . ?
C233_24 C249_24 H212_24 108.9 . . ?
H213_24 C249_24 H212_24 107.7 . . ?
C249_24 C250_24 H216_24 109.6 . . ?
C249_24 C250_24 H215_24 109.5 . . ?
H216_24 C250_24 H215_24 109.3 . . ?
C249_24 C250_24 H214_24 109.6 . . ?
H216_24 C250_24 H214_24 109.5 . . ?
H215_24 C250_24 H214_24 109.3 . . ?
N23_17 Ni12_17 N21_17 178.4(2) . . ?
N23_17 Ni12_17 N24_17 90.12(19) . . ?
N21_17 Ni12_17 N24_17 89.98(19) . . ?
N23_17 Ni12_17 N22_17 89.94(19) . . ?
N21_17 Ni12_17 N22_17 89.88(19) . . ?
N24_17 Ni12_17 N22_17 177.46(19) . . ?
C254_17 N21_17 C251_17 105.0(5) . . ?
C254_17 N21_17 Ni12_17 127.3(4) . . ?
C251_17 N21_17 Ni12_17 127.6(4) . . ?
C256_17 N22_17 C259_17 104.8(5) . . ?
C256_17 N22_17 Ni12_17 127.9(4) . . ?
C259_17 N22_17 Ni12_17 127.3(4) . . ?
C264_17 N23_17 C261_17 104.2(5) . . ?
C264_17 N23_17 Ni12_17 127.7(4) . . ?
C261_17 N23_17 Ni12_17 128.1(4) . . ?
C266_17 N24_17 C269_17 104.2(5) . . ?
C266_17 N24_17 Ni12_17 127.6(4) . . ?
C269_17 N24_17 Ni12_17 128.1(4) . . ?
C270_17 C251_17 N21_17 125.4(5) . . ?
C270_17 C251_17 C252_17 123.9(6) . . ?
N21_17 C251_17 C252_17 110.6(5) . . ?
C253_17 C252_17 C251_17 106.8(5) . . ?
C253_17 C252_17 C271_17 126.9(6) . . ?
C251_17 C252_17 C271_17 126.2(6) . . ?
C252_17 C253_17 C254_17 106.4(5) . . ?
C252_17 C253_17 C273_17 129.7(5) . . ?
C254_17 C253_17 C273_17 123.8(5) . . ?
N21_17 C254_17 C255_17 125.9(5) . . ?
N21_17 C254_17 C253_17 111.1(5) . . ?
C255_17 C254_17 C253_17 122.9(5) . . ?
C256_17 C255_17 C254_17 123.7(6) . . ?
C256_17 C255_17 H261_17 118.2 . . ?
C254_17 C255_17 H261_17 118.2 . . ?
N22_17 C256_17 C255_17 125.3(5) . . ?
N22_17 C256_17 C257_17 111.2(5) . . ?
C255_17 C256_17 C257_17 123.5(6) . . ?
C258_17 C257_17 C256_17 106.2(5) . . ?
C258_17 C257_17 C275_17 129.4(6) . . ?
C256_17 C257_17 C275_17 124.4(5) . . ?
C257_17 C258_17 C259_17 106.4(5) . . ?
C257_17 C258_17 C277_17 128.9(6) . . ?
C259_17 C258_17 C277_17 124.5(5) . . ?
N22_17 C259_17 C260_17 126.2(5) . . ?
N22_17 C259_17 C258_17 111.4(5) . . ?
C260_17 C259_17 C258_17 122.4(5) . . ?
C261_17 C260_17 C259_17 122.9(5) . . ?
C261_17 C260_17 H262_17 118.5 . . ?
C259_17 C260_17 H262_17 118.5 . . ?
N23_17 C261_17 C260_17 125.5(5) . . ?
N23_17 C261_17 C262_17 111.8(5) . . ?
C260_17 C261_17 C262_17 122.6(5) . . ?
C263_17 C262_17 C261_17 105.8(5) . . ?
C263_17 C262_17 C279_17 128.8(6) . . ?
C261_17 C262_17 C279_17 125.2(6) . . ?
C262_17 C263_17 C264_17 106.3(5) . . ?
C262_17 C263_17 C281_17 128.8(5) . . ?
C264_17 C263_17 C281_17 124.9(5) . . ?
C265_17 C264_17 N23_17 125.6(5) . . ?
C265_17 C264_17 C263_17 122.6(5) . . ?
N23_17 C264_17 C263_17 111.8(5) . . ?
C264_17 C265_17 C266_17 123.8(6) . . ?
C264_17 C265_17 H263_17 118.1 . . ?
C266_17 C265_17 H263_17 118.1 . . ?
N24_17 C266_17 C265_17 125.1(5) . . ?
N24_17 C266_17 C267_17 111.8(5) . . ?
C265_17 C266_17 C267_17 123.1(6) . . ?
C268_17 C267_17 C266_17 106.6(5) . . ?
C268_17 C267_17 C283_17 128.8(5) . . ?
C266_17 C267_17 C283_17 124.6(5) . . ?
C267_17 C268_17 C269_17 106.3(5) . . ?
C267_17 C268_17 C285_17 127.9(6) . . ?
C269_17 C268_17 C285_17 125.6(5) . . ?
N24_17 C269_17 C270_17 124.6(5) . . ?
N24_17 C269_17 C268_17 111.1(5) . . ?
C270_17 C269_17 C268_17 124.3(5) . . ?
C251_17 C270_17 C269_17 124.2(6) . . ?
C251_17 C270_17 H264_17 117.9 . . ?
C269_17 C270_17 H264_17 117.9 . . ?
C252_17 C271_17 C272_17 112.6(6) . . ?
C252_17 C271_17 H222_17 109.1 . . ?
C272_17 C271_17 H222_17 109.1 . . ?
C252_17 C271_17 H221_17 109.1 . . ?
C272_17 C271_17 H221_17 109.1 . . ?
H222_17 C271_17 H221_17 107.8 . . ?
C271_17 C272_17 H225_17 109.3 . . ?
C271_17 C272_17 H224_17 109.4 . . ?
H225_17 C272_17 H224_17 109.6 . . ?
C271_17 C272_17 H223_17 109.3 . . ?
H225_17 C272_17 H223_17 109.5 . . ?
H224_17 C272_17 H223_17 109.6 . . ?
C253_17 C273_17 C274_17 114.2(5) . . ?
C253_17 C273_17 H227_17 108.7 . . ?
C274_17 C273_17 H227_17 108.7 . . ?
C253_17 C273_17 H226_17 108.7 . . ?
C274_17 C273_17 H226_17 108.7 . . ?
H227_17 C273_17 H226_17 107.6 . . ?
C273_17 C274_17 H230_17 109.6 . . ?
C273_17 C274_17 H229_17 109.6 . . ?
H230_17 C274_17 H229_17 109.5 . . ?
C273_17 C274_17 H228_17 109.5 . . ?
H230_17 C274_17 H228_17 109.4 . . ?
H229_17 C274_17 H228_17 109.3 . . ?
C257_17 C275_17 C276_17 113.4(5) . . ?
C257_17 C275_17 H232_17 108.9 . . ?
C276_17 C275_17 H232_17 108.9 . . ?
C257_17 C275_17 H231_17 108.9 . . ?
C276_17 C275_17 H231_17 108.9 . . ?
H232_17 C275_17 H231_17 107.7 . . ?
C275_17 C276_17 H235_17 109.4 . . ?
C275_17 C276_17 H234_17 109.6 . . ?
H235_17 C276_17 H234_17 109.5 . . ?
C275_17 C276_17 H233_17 109.5 . . ?
H235_17 C276_17 H233_17 109.3 . . ?
H234_17 C276_17 H233_17 109.6 . . ?
C258_17 C277_17 C278_17 112.0(5) . . ?
C258_17 C277_17 H237_17 109.2 . . ?
C278_17 C277_17 H237_17 109.2 . . ?
C258_17 C277_17 H236_17 109.2 . . ?
C278_17 C277_17 H236_17 109.2 . . ?
H237_17 C277_17 H236_17 107.9 . . ?
C277_17 C278_17 H240_17 109.5 . . ?
C277_17 C278_17 H239_17 109.6 . . ?
H240_17 C278_17 H239_17 109.4 . . ?
C277_17 C278_17 H238_17 109.5 . . ?
H240_17 C278_17 H238_17 109.3 . . ?
H239_17 C278_17 H238_17 109.4 . . ?
C262_17 C279_17 C280_17 112.1(5) . . ?
C262_17 C279_17 H242_17 109.2 . . ?
C280_17 C279_17 H242_17 109.2 . . ?
C262_17 C279_17 H241_17 109.2 . . ?
C280_17 C279_17 H241_17 109.2 . . ?
H242_17 C279_17 H241_17 107.9 . . ?
C279_17 C280_17 H245_17 109.4 . . ?
C279_17 C280_17 H244_17 109.5 . . ?
H245_17 C280_17 H244_17 109.3 . . ?
C279_17 C280_17 H243_17 109.6 . . ?
H245_17 C280_17 H243_17 109.5 . . ?
H244_17 C280_17 H243_17 109.6 . . ?
C263_17 C281_17 C282_17 113.3(5) . . ?
C263_17 C281_17 H247_17 108.9 . . ?
C282_17 C281_17 H247_17 108.9 . . ?
C263_17 C281_17 H246_17 108.9 . . ?
C282_17 C281_17 H246_17 108.9 . . ?
H247_17 C281_17 H246_17 107.7 . . ?
C281_17 C282_17 H250_17 109.5 . . ?
C281_17 C282_17 H249_17 109.4 . . ?
H250_17 C282_17 H249_17 109.3 . . ?
C281_17 C282_17 H248_17 109.6 . . ?
H250_17 C282_17 H248_17 109.5 . . ?
H249_17 C282_17 H248_17 109.5 . . ?
C267_17 C283_17 C284_17 112.0(5) . . ?
C267_17 C283_17 H252_17 109.2 . . ?
C284_17 C283_17 H252_17 109.2 . . ?
C267_17 C283_17 H251_17 109.2 . . ?
C284_17 C283_17 H251_17 109.2 . . ?
H252_17 C283_17 H251_17 107.9 . . ?
C283_17 C284_17 H255_17 109.5 . . ?
C283_17 C284_17 H254_17 109.5 . . ?
H255_17 C284_17 H254_17 109.6 . . ?
C283_17 C284_17 H253_17 109.4 . . ?
H255_17 C284_17 H253_17 109.4 . . ?
H254_17 C284_17 H253_17 109.4 . . ?
C268_17 C285_17 C286_17 112.9(6) . . ?
C268_17 C285_17 H257_17 109.0 . . ?
C286_17 C285_17 H257_17 109.0 . . ?
C268_17 C285_17 H256_17 109.0 . . ?
C286_17 C285_17 H256_17 109.0 . . ?
H257_17 C285_17 H256_17 107.8 . . ?
C285_17 C286_17 H260_17 109.7 . . ?
C285_17 C286_17 H259_17 109.5 . . ?
H260_17 C286_17 H259_17 109.5 . . ?
C285_17 C286_17 H258_17 109.4 . . ?
H260_17 C286_17 H258_17 109.5 . . ?
H259_17 C286_17 H258_17 109.2 . . ?
N27_18 Ni8_18 N25_18 177.6(2) . . ?
N27_18 Ni8_18 N28_18 90.02(19) . . ?
N25_18 Ni8_18 N28_18 89.75(19) . . ?
N27_18 Ni8_18 N26_18 89.5(2) . . ?
N25_18 Ni8_18 N26_18 90.62(19) . . ?
N28_18 Ni8_18 N26_18 177.9(2) . . ?
C306_18 N25_18 C289_18 104.8(5) . . ?
C306_18 N25_18 Ni8_18 128.1(4) . . ?
C289_18 N25_18 Ni8_18 127.1(4) . . ?
C294_18 N26_18 C291_18 105.1(5) . . ?
C294_18 N26_18 Ni8_18 128.4(4) . . ?
C291_18 N26_18 Ni8_18 126.5(4) . . ?
C299_18 N27_18 C296_18 103.9(5) . . ?
C299_18 N27_18 Ni8_18 128.4(4) . . ?
C296_18 N27_18 Ni8_18 127.7(4) . . ?
C301_18 N28_18 C304_18 104.5(5) . . ?
C301_18 N28_18 Ni8_18 127.4(4) . . ?
C304_18 N28_18 Ni8_18 128.1(4) . . ?
C288_18 C287_18 C306_18 105.7(5) . . ?
C288_18 C287_18 C307_18 127.4(6) . . ?
C306_18 C287_18 C307_18 126.8(6) . . ?
C287_18 C288_18 C289_18 107.3(5) . . ?
C287_18 C288_18 C309_18 128.5(5) . . ?
C289_18 C288_18 C309_18 124.2(5) . . ?
N25_18 C289_18 C290_18 126.1(5) . . ?
N25_18 C289_18 C288_18 110.9(5) . . ?
C290_18 C289_18 C288_18 123.0(6) . . ?
C291_18 C290_18 C289_18 123.1(6) . . ?
C291_18 C290_18 H29A_18 118.5 . . ?
C289_18 C290_18 H29A_18 118.5 . . ?
C290_18 C291_18 N26_18 126.6(5) . . ?
C290_18 C291_18 C292_18 122.3(5) . . ?
N26_18 C291_18 C292_18 111.1(5) . . ?
C293_18 C292_18 C291_18 105.9(5) . . ?
C293_18 C292_18 C311_18 128.8(5) . . ?
C291_18 C292_18 C311_18 125.3(5) . . ?
C292_18 C293_18 C294_18 106.4(5) . . ?
C292_18 C293_18 C313_18 129.2(5) . . ?
C294_18 C293_18 C313_18 124.4(5) . . ?
N26_18 C294_18 C295_18 125.4(5) . . ?
N26_18 C294_18 C293_18 111.6(5) . . ?
C295_18 C294_18 C293_18 123.1(6) . . ?
C294_18 C295_18 C296_18 122.9(5) . . ?
C294_18 C295_18 H29B_18 118.6 . . ?
C296_18 C295_18 H29B_18 118.6 . . ?
N27_18 C296_18 C295_18 126.1(5) . . ?
N27_18 C296_18 C297_18 111.4(5) . . ?
C295_18 C296_18 C297_18 122.4(5) . . ?
C298_18 C297_18 C296_18 106.9(5) . . ?
C298_18 C297_18 C315_18 128.6(6) . . ?
C296_18 C297_18 C315_18 124.4(5) . . ?
C297_18 C298_18 C299_18 105.3(5) . . ?
C297_18 C298_18 C317_18 129.7(5) . . ?
C299_18 C298_18 C317_18 124.9(5) . . ?
N27_18 C299_18 C300_18 123.8(5) . . ?
N27_18 C299_18 C298_18 112.5(5) . . ?
C300_18 C299_18 C298_18 123.7(5) . . ?
C301_18 C300_18 C299_18 125.0(6) . . ?
C301_18 C300_18 H30A_18 117.5 . . ?
C299_18 C300_18 H30A_18 117.5 . . ?
N28_18 C301_18 C300_18 125.3(5) . . ?
N28_18 C301_18 C302_18 112.0(5) . . ?
C300_18 C301_18 C302_18 122.8(5) . . ?
C303_18 C302_18 C301_18 105.8(5) . . ?
C303_18 C302_18 C319_18 130.0(6) . . ?
C301_18 C302_18 C319_18 124.0(5) . . ?
C302_18 C303_18 C304_18 106.3(5) . . ?
C302_18 C303_18 C321_18 128.0(6) . . ?
C304_18 C303_18 C321_18 125.5(5) . . ?
N28_18 C304_18 C305_18 125.1(5) . . ?
N28_18 C304_18 C303_18 111.4(5) . . ?
C305_18 C304_18 C303_18 123.5(5) . . ?
C304_18 C305_18 C306_18 123.9(6) . . ?
C304_18 C305_18 H30B_18 118.1 . . ?
C306_18 C305_18 H30B_18 118.1 . . ?
N25_18 C306_18 C305_18 125.1(5) . . ?
N25_18 C306_18 C287_18 111.2(5) . . ?
C305_18 C306_18 C287_18 123.7(5) . . ?
C287_18 C307_18 C308_18 113.9(6) . . ?
C287_18 C307_18 H30C_18 108.8 . . ?
C308_18 C307_18 H30C_18 108.8 . . ?
C287_18 C307_18 H30D_18 108.8 . . ?
C308_18 C307_18 H30D_18 108.8 . . ?
H30C_18 C307_18 H30D_18 107.7 . . ?
C307_18 C308_18 H30E_18 109.1 . . ?
C307_18 C308_18 H30F_18 109.5 . . ?
H30E_18 C308_18 H30F_18 109.7 . . ?
C307_18 C308_18 H30G_18 109.3 . . ?
H30E_18 C308_18 H30G_18 109.4 . . ?
H30F_18 C308_18 H30G_18 109.9 . . ?
C288_18 C309_18 C310_18 113.0(5) . . ?
C288_18 C309_18 H30H_18 109.0 . . ?
C310_18 C309_18 H30H_18 109.0 . . ?
C288_18 C309_18 H30I_18 109.0 . . ?
C310_18 C309_18 H30I_18 109.0 . . ?
H30H_18 C309_18 H30I_18 107.8 . . ?
C309_18 C310_18 H31A_18 109.6 . . ?
C309_18 C310_18 H31B_18 109.5 . . ?
H31A_18 C310_18 H31B_18 109.4 . . ?
C309_18 C310_18 H31C_18 109.5 . . ?
H31A_18 C310_18 H31C_18 109.4 . . ?
H31B_18 C310_18 H31C_18 109.4 . . ?
C292_18 C311_18 C312_18 114.2(5) . . ?
C292_18 C311_18 H31D_18 108.7 . . ?
C312_18 C311_18 H31D_18 108.7 . . ?
C292_18 C311_18 H31E_18 108.7 . . ?
C312_18 C311_18 H31E_18 108.7 . . ?
H31D_18 C311_18 H31E_18 107.6 . . ?
C311_18 C312_18 H31F_18 109.3 . . ?
C311_18 C312_18 H31G_18 109.4 . . ?
H31F_18 C312_18 H31G_18 109.5 . . ?
C311_18 C312_18 H31H_18 109.4 . . ?
H31F_18 C312_18 H31H_18 109.5 . . ?
H31G_18 C312_18 H31H_18 109.7 . . ?
C293_18 C313_18 C314_18 111.1(5) . . ?
C293_18 C313_18 H31I_18 109.4 . . ?
C314_18 C313_18 H31I_18 109.4 . . ?
C293_18 C313_18 H31J_18 109.4 . . ?
C314_18 C313_18 H31J_18 109.4 . . ?
H31I_18 C313_18 H31J_18 108.0 . . ?
C313_18 C314_18 H31K_18 109.7 . . ?
C313_18 C314_18 H31L_18 109.5 . . ?
H31K_18 C314_18 H31L_18 109.5 . . ?
C313_18 C314_18 H31M_18 109.5 . . ?
H31K_18 C314_18 H31M_18 109.5 . . ?
H31L_18 C314_18 H31M_18 109.2 . . ?
C297_18 C315_18 C316_18 111.6(5) . . ?
C297_18 C315_18 H31N_18 109.3 . . ?
C316_18 C315_18 H31N_18 109.3 . . ?
C297_18 C315_18 H31O_18 109.3 . . ?
C316_18 C315_18 H31O_18 109.3 . . ?
H31N_18 C315_18 H31O_18 108.0 . . ?
C315_18 C316_18 H31P_18 109.4 . . ?
C315_18 C316_18 H31Q_18 109.5 . . ?
H31P_18 C316_18 H31Q_18 109.4 . . ?
C315_18 C316_18 H31R_18 109.5 . . ?
H31P_18 C316_18 H31R_18 109.5 . . ?
H31Q_18 C316_18 H31R_18 109.5 . . ?
C298_18 C317_18 C318_18 113.8(5) . . ?
C298_18 C317_18 H31S_18 108.8 . . ?
C318_18 C317_18 H31S_18 108.8 . . ?
C298_18 C317_18 H31T_18 108.8 . . ?
C318_18 C317_18 H31T_18 108.8 . . ?
H31S_18 C317_18 H31T_18 107.7 . . ?
C317_18 C318_18 H31U_18 109.6 . . ?
C317_18 C318_18 H31V_18 109.6 . . ?
H31U_18 C318_18 H31V_18 109.5 . . ?
C317_18 C318_18 H31W_18 109.4 . . ?
H31U_18 C318_18 H31W_18 109.4 . . ?
H31V_18 C318_18 H31W_18 109.3 . . ?
C302_18 C319_18 C320_18 112.0(5) . . ?
C302_18 C319_18 H31X_18 109.2 . . ?
C320_18 C319_18 H31X_18 109.2 . . ?
C302_18 C319_18 H31Y_18 109.2 . . ?
C320_18 C319_18 H31Y_18 109.2 . . ?
H31X_18 C319_18 H31Y_18 107.9 . . ?
C319_18 C320_18 H32A_18 109.7 . . ?
C319_18 C320_18 H32B_18 109.6 . . ?
H32A_18 C320_18 H32B_18 109.4 . . ?
C319_18 C320_18 H32C_18 109.6 . . ?
H32A_18 C320_18 H32C_18 109.3 . . ?
H32B_18 C320_18 H32C_18 109.2 . . ?
C303_18 C321_18 C322_18 111.3(5) . . ?
C303_18 C321_18 H32D_18 109.4 . . ?
C322_18 C321_18 H32D_18 109.4 . . ?
C303_18 C321_18 H32E_18 109.4 . . ?
C322_18 C321_18 H32E_18 109.4 . . ?
H32D_18 C321_18 H32E_18 108.0 . . ?
C321_18 C322_18 H32F_18 109.4 . . ?
C321_18 C322_18 H32G_18 109.3 . . ?
H32F_18 C322_18 H32G_18 109.3 . . ?
C321_18 C322_18 H32H_18 109.6 . . ?
H32F_18 C322_18 H32H_18 109.6 . . ?
H32G_18 C322_18 H32H_18 109.6 . . ?
N31_19 Ni10_19 N29_19 176.6(2) . . ?
N31_19 Ni10_19 N30_19 90.17(19) . . ?
N29_19 Ni10_19 N30_19 89.77(19) . . ?
N31_19 Ni10_19 N32_19 89.9(2) . . ?
N29_19 Ni10_19 N32_19 90.0(2) . . ?
N30_19 Ni10_19 N32_19 178.2(2) . . ?
C324_19 N29_19 C341_19 104.7(5) . . ?
C324_19 N29_19 Ni10_19 128.0(4) . . ?
C341_19 N29_19 Ni10_19 127.1(4) . . ?
C326_19 N30_19 C329_19 104.9(5) . . ?
C326_19 N30_19 Ni10_19 127.5(4) . . ?
C329_19 N30_19 Ni10_19 127.4(4) . . ?
C334_19 N31_19 C331_19 103.8(5) . . ?
C334_19 N31_19 Ni10_19 128.6(4) . . ?
C331_19 N31_19 Ni10_19 127.6(4) . . ?
C336_19 N32_19 C339_19 104.7(5) . . ?
C336_19 N32_19 Ni10_19 126.7(4) . . ?
C339_19 N32_19 Ni10_19 128.5(4) . . ?
C342_19 C323_19 C324_19 105.9(5) . . ?
C342_19 C323_19 C345_19 129.0(6) . . ?
C324_19 C323_19 C345_19 124.8(5) . . ?
N29_19 C324_19 C325_19 125.4(5) . . ?
N29_19 C324_19 C323_19 112.0(5) . . ?
C325_19 C324_19 C323_19 122.6(5) . . ?
C326_19 C325_19 C324_19 123.3(5) . . ?
C326_19 C325_19 H349_19 118.4 . . ?
C324_19 C325_19 H349_19 118.4 . . ?
N30_19 C326_19 C325_19 125.8(5) . . ?
N30_19 C326_19 C327_19 111.1(5) . . ?
C325_19 C326_19 C327_19 123.0(5) . . ?
C328_19 C327_19 C326_19 106.7(5) . . ?
C328_19 C327_19 C347_19 128.4(6) . . ?
C326_19 C327_19 C347_19 124.9(5) . . ?
C327_19 C328_19 C329_19 106.4(5) . . ?
C327_19 C328_19 C349_19 128.6(6) . . ?
C329_19 C328_19 C349_19 125.0(6) . . ?
C330_19 C329_19 N30_19 125.1(5) . . ?
C330_19 C329_19 C328_19 123.9(6) . . ?
N30_19 C329_19 C328_19 111.0(5) . . ?
C329_19 C330_19 C331_19 123.9(5) . . ?
C329_19 C330_19 H350_19 118.0 . . ?
C331_19 C330_19 H350_19 118.0 . . ?
N31_19 C331_19 C330_19 125.6(5) . . ?
N31_19 C331_19 C332_19 112.2(5) . . ?
C330_19 C331_19 C332_19 122.2(6) . . ?
C333_19 C332_19 C331_19 106.0(5) . . ?
C333_19 C332_19 C351_19 128.5(6) . . ?
C331_19 C332_19 C351_19 125.5(6) . . ?
C332_19 C333_19 C334_19 105.9(5) . . ?
C332_19 C333_19 C353_19 129.1(6) . . ?
C334_19 C333_19 C353_19 125.0(6) . . ?
N31_19 C334_19 C335_19 124.7(5) . . ?
N31_19 C334_19 C333_19 112.0(5) . . ?
C335_19 C334_19 C333_19 123.1(6) . . ?
C334_19 C335_19 C336_19 123.2(6) . . ?
C334_19 C335_19 H351_19 118.4 . . ?
C336_19 C335_19 H351_19 118.4 . . ?
N32_19 C336_19 C335_19 126.7(5) . . ?
N32_19 C336_19 C337_19 111.4(5) . . ?
C335_19 C336_19 C337_19 121.9(6) . . ?
C338_19 C337_19 C336_19 106.2(5) . . ?
C338_19 C337_19 C355_19 128.8(6) . . ?
C336_19 C337_19 C355_19 124.9(6) . . ?
C337_19 C338_19 C339_19 105.8(5) . . ?
C337_19 C338_19 C357_19 127.9(6) . . ?
C339_19 C338_19 C357_19 126.3(6) . . ?
N32_19 C339_19 C340_19 124.2(6) . . ?
N32_19 C339_19 C338_19 111.8(5) . . ?
C340_19 C339_19 C338_19 124.0(6) . . ?
C341_19 C340_19 C339_19 123.6(6) . . ?
C341_19 C340_19 H352_19 118.2 . . ?
C339_19 C340_19 H352_19 118.2 . . ?
N29_19 C341_19 C340_19 126.4(5) . . ?
N29_19 C341_19 C342_19 110.8(5) . . ?
C340_19 C341_19 C342_19 122.8(6) . . ?
C323_19 C342_19 C341_19 106.6(5) . . ?
C323_19 C342_19 C343_19 127.1(6) . . ?
C341_19 C342_19 C343_19 126.0(6) . . ?
C342_19 C343_19 C344_19 111.4(5) . . ?
C342_19 C343_19 H310_19 109.3 . . ?
C344_19 C343_19 H310_19 109.3 . . ?
C342_19 C343_19 H309_19 109.3 . . ?
C344_19 C343_19 H309_19 109.3 . . ?
H310_19 C343_19 H309_19 108.0 . . ?
C343_19 C344_19 H313_19 109.4 . . ?
C343_19 C344_19 H312_19 109.4 . . ?
H313_19 C344_19 H312_19 109.6 . . ?
C343_19 C344_19 H311_19 109.4 . . ?
H313_19 C344_19 H311_19 109.6 . . ?
H312_19 C344_19 H311_19 109.6 . . ?
C323_19 C345_19 C346_19 111.7(5) . . ?
C323_19 C345_19 H315_19 109.3 . . ?
C346_19 C345_19 H315_19 109.3 . . ?
C323_19 C345_19 H314_19 109.3 . . ?
C346_19 C345_19 H314_19 109.3 . . ?
H315_19 C345_19 H314_19 107.9 . . ?
C345_19 C346_19 H318_19 109.4 . . ?
C345_19 C346_19 H317_19 109.5 . . ?
H318_19 C346_19 H317_19 109.6 . . ?
C345_19 C346_19 H316_19 109.4 . . ?
H318_19 C346_19 H316_19 109.4 . . ?
H317_19 C346_19 H316_19 109.5 . . ?
C327_19 C347_19 C348_19 113.3(5) . . ?
C327_19 C347_19 H320_19 108.9 . . ?
C348_19 C347_19 H320_19 108.9 . . ?
C327_19 C347_19 H319_19 108.9 . . ?
C348_19 C347_19 H319_19 108.9 . . ?
H320_19 C347_19 H319_19 107.7 . . ?
C347_19 C348_19 H323_19 109.4 . . ?
C347_19 C348_19 H322_19 109.6 . . ?
H323_19 C348_19 H322_19 109.5 . . ?
C347_19 C348_19 H321_19 109.4 . . ?
H323_19 C348_19 H321_19 109.3 . . ?
H322_19 C348_19 H321_19 109.6 . . ?
C328_19 C349_19 C350_19 111.2(5) . . ?
C328_19 C349_19 H325_19 109.4 . . ?
C350_19 C349_19 H325_19 109.4 . . ?
C328_19 C349_19 H324_19 109.4 . . ?
C350_19 C349_19 H324_19 109.4 . . ?
H325_19 C349_19 H324_19 108.0 . . ?
C349_19 C350_19 H328_19 109.7 . . ?
C349_19 C350_19 H327_19 109.7 . . ?
H328_19 C350_19 H327_19 109.5 . . ?
C349_19 C350_19 H326_19 109.5 . . ?
H328_19 C350_19 H326_19 109.2 . . ?
H327_19 C350_19 H326_19 109.2 . . ?
C332_19 C351_19 C352_19 111.5(5) . . ?
C332_19 C351_19 H330_19 109.3 . . ?
C352_19 C351_19 H330_19 109.3 . . ?
C332_19 C351_19 H329_19 109.3 . . ?
C352_19 C351_19 H329_19 109.3 . . ?
H330_19 C351_19 H329_19 108.0 . . ?
C351_19 C352_19 H333_19 109.5 . . ?
C351_19 C352_19 H332_19 109.5 . . ?
H333_19 C352_19 H332_19 109.3 . . ?
C351_19 C352_19 H331_19 109.6 . . ?
H333_19 C352_19 H331_19 109.4 . . ?
H332_19 C352_19 H331_19 109.5 . . ?
C333_19 C353_19 C354_19 113.1(5) . . ?
C333_19 C353_19 H335_19 109.0 . . ?
C354_19 C353_19 H335_19 109.0 . . ?
C333_19 C353_19 H334_19 109.0 . . ?
C354_19 C353_19 H334_19 109.0 . . ?
H335_19 C353_19 H334_19 107.8 . . ?
C353_19 C354_19 H338_19 109.3 . . ?
C353_19 C354_19 H337_19 109.4 . . ?
H338_19 C354_19 H337_19 109.5 . . ?
C353_19 C354_19 H336_19 109.5 . . ?
H338_19 C354_19 H336_19 109.6 . . ?
H337_19 C354_19 H336_19 109.6 . . ?
C337_19 C355_19 C356_19 112.5(5) . . ?
C337_19 C355_19 H340_19 109.1 . . ?
C356_19 C355_19 H340_19 109.1 . . ?
C337_19 C355_19 H339_19 109.1 . . ?
C356_19 C355_19 H339_19 109.1 . . ?
H340_19 C355_19 H339_19 107.8 . . ?
C355_19 C356_19 H343_19 109.6 . . ?
C355_19 C356_19 H342_19 109.5 . . ?
H343_19 C356_19 H342_19 109.5 . . ?
C355_19 C356_19 H341_19 109.5 . . ?
H343_19 C356_19 H341_19 109.4 . . ?
H342_19 C356_19 H341_19 109.3 . . ?
C338_19 C357_19 C358_19 114.3(6) . . ?
C338_19 C357_19 H345_19 108.7 . . ?
C358_19 C357_19 H345_19 108.7 . . ?
C338_19 C357_19 H344_19 108.7 . . ?
C358_19 C357_19 H344_19 108.7 . . ?
H345_19 C357_19 H344_19 107.6 . . ?
C357_19 C358_19 H348_19 109.3 . . ?
C357_19 C358_19 H347_19 109.4 . . ?
H348_19 C358_19 H347_19 109.5 . . ?
C357_19 C358_19 H346_19 109.4 . . ?
H348_19 C358_19 H346_19 109.6 . . ?
H347_19 C358_19 H346_19 109.6 . . ?
N36_20 Ni1_20 N33_20 90.2(2) . . ?
N36_20 Ni1_20 N34_20 177.0(2) . . ?
N33_20 Ni1_20 N34_20 89.7(2) . . ?
N36_20 Ni1_20 N35_20 90.04(19) . . ?
N33_20 Ni1_20 N35_20 178.66(19) . . ?
N34_20 Ni1_20 N35_20 89.98(19) . . ?
C376_20 N33_20 C359_20 103.1(5) . . ?
C376_20 N33_20 Ni1_20 127.8(4) . . ?
C359_20 N33_20 Ni1_20 129.0(4) . . ?
C361_20 N34_20 C364_20 105.1(5) . . ?
C361_20 N34_20 Ni1_20 127.5(4) . . ?
C364_20 N34_20 Ni1_20 127.3(4) . . ?
C369_20 N35_20 C366_20 104.2(5) . . ?
C369_20 N35_20 Ni1_20 127.8(4) . . ?
C366_20 N35_20 Ni1_20 127.9(4) . . ?
C371_20 N36_20 C374_20 103.8(5) . . ?
C371_20 N36_20 Ni1_20 128.0(4) . . ?
C374_20 N36_20 Ni1_20 128.1(4) . . ?
N33_20 C359_20 C360_20 124.5(5) . . ?
N33_20 C359_20 C378_20 112.5(5) . . ?
C360_20 C359_20 C378_20 122.9(6) . . ?
C361_20 C360_20 C359_20 122.9(5) . . ?
C361_20 C360_20 H393_20 118.6 . . ?
C359_20 C360_20 H393_20 118.6 . . ?
N34_20 C361_20 C360_20 126.2(5) . . ?
N34_20 C361_20 C362_20 111.7(5) . . ?
C360_20 C361_20 C362_20 122.0(6) . . ?
C363_20 C362_20 C361_20 105.9(5) . . ?
C363_20 C362_20 C381_20 129.4(5) . . ?
C361_20 C362_20 C381_20 124.6(5) . . ?
C362_20 C363_20 C364_20 106.5(5) . . ?
C362_20 C363_20 C383_20 128.2(6) . . ?
C364_20 C363_20 C383_20 124.9(5) . . ?
C365_20 C364_20 N34_20 126.3(5) . . ?
C365_20 C364_20 C363_20 122.9(5) . . ?
N34_20 C364_20 C363_20 110.8(5) . . ?
C364_20 C365_20 C366_20 123.4(5) . . ?
C364_20 C365_20 H394_20 118.3 . . ?
C366_20 C365_20 H394_20 118.3 . . ?
N35_20 C366_20 C365_20 125.0(5) . . ?
N35_20 C366_20 C367_20 111.9(5) . . ?
C365_20 C366_20 C367_20 123.1(5) . . ?
C368_20 C367_20 C366_20 105.6(5) . . ?
C368_20 C367_20 C385_20 127.8(6) . . ?
C366_20 C367_20 C385_20 126.6(5) . . ?
C367_20 C368_20 C369_20 106.6(5) . . ?
C367_20 C368_20 C387_20 128.6(5) . . ?
C369_20 C368_20 C387_20 124.5(5) . . ?
N35_20 C369_20 C370_20 125.5(5) . . ?
N35_20 C369_20 C368_20 111.7(5) . . ?
C370_20 C369_20 C368_20 122.8(5) . . ?
C369_20 C370_20 C371_20 123.5(6) . . ?
C369_20 C370_20 H395_20 118.3 . . ?
C371_20 C370_20 H395_20 118.3 . . ?
N36_20 C371_20 C370_20 125.0(5) . . ?
N36_20 C371_20 C372_20 111.7(5) . . ?
C370_20 C371_20 C372_20 123.3(5) . . ?
C373_20 C372_20 C371_20 106.4(5) . . ?
C373_20 C372_20 C389_20 128.6(5) . . ?
C371_20 C372_20 C389_20 125.0(5) . . ?
C372_20 C373_20 C374_20 106.4(5) . . ?
C372_20 C373_20 C391_20 128.6(6) . . ?
C374_20 C373_20 C391_20 124.8(6) . . ?
C375_20 C374_20 N36_20 124.6(6) . . ?
C375_20 C374_20 C373_20 123.7(6) . . ?
N36_20 C374_20 C373_20 111.7(5) . . ?
C374_20 C375_20 C376_20 124.0(6) . . ?
C374_20 C375_20 H396_20 118.0 . . ?
C376_20 C375_20 H396_20 118.0 . . ?
N33_20 C376_20 C375_20 125.2(5) . . ?
N33_20 C376_20 C377_20 111.9(5) . . ?
C375_20 C376_20 C377_20 122.9(5) . . ?
C378_20 C377_20 C376_20 106.9(5) . . ?
C378_20 C377_20 C393_20 128.6(6) . . ?
C376_20 C377_20 C393_20 124.4(5) . . ?
C377_20 C378_20 C359_20 105.6(5) . . ?
C377_20 C378_20 C379_20 130.0(6) . . ?
C359_20 C378_20 C379_20 124.5(5) . . ?
C378_20 C379_20 C380_20 113.2(5) . . ?
C378_20 C379_20 H354_20 108.9 . . ?
C380_20 C379_20 H354_20 108.9 . . ?
C378_20 C379_20 H353_20 108.9 . . ?
C380_20 C379_20 H353_20 108.9 . . ?
H354_20 C379_20 H353_20 107.8 . . ?
C379_20 C380_20 H357_20 109.5 . . ?
C379_20 C380_20 H356_20 109.6 . . ?
H357_20 C380_20 H356_20 109.6 . . ?
C379_20 C380_20 H355_20 109.4 . . ?
H357_20 C380_20 H355_20 109.4 . . ?
H356_20 C380_20 H355_20 109.5 . . ?
C362_20 C381_20 C382_20 111.8(5) . . ?
C362_20 C381_20 H359_20 109.2 . . ?
C382_20 C381_20 H359_20 109.2 . . ?
C362_20 C381_20 H358_20 109.2 . . ?
C382_20 C381_20 H358_20 109.2 . . ?
H359_20 C381_20 H358_20 107.9 . . ?
C381_20 C382_20 H362_20 109.6 . . ?
C381_20 C382_20 H361_20 109.4 . . ?
H362_20 C382_20 H361_20 109.4 . . ?
C381_20 C382_20 H360_20 109.5 . . ?
H362_20 C382_20 H360_20 109.5 . . ?
H361_20 C382_20 H360_20 109.3 . . ?
C363_20 C383_20 C384_20 111.7(5) . . ?
C363_20 C383_20 H364_20 109.3 . . ?
C384_20 C383_20 H364_20 109.3 . . ?
C363_20 C383_20 H363_20 109.3 . . ?
C384_20 C383_20 H363_20 109.3 . . ?
H364_20 C383_20 H363_20 107.9 . . ?
C383_20 C384_20 H367_20 109.5 . . ?
C383_20 C384_20 H366_20 109.5 . . ?
H367_20 C384_20 H366_20 109.5 . . ?
C383_20 C384_20 H365_20 109.5 . . ?
H367_20 C384_20 H365_20 109.4 . . ?
H366_20 C384_20 H365_20 109.4 . . ?
C367_20 C385_20 C386_20 112.3(5) . . ?
C367_20 C385_20 H369_20 109.1 . . ?
C386_20 C385_20 H369_20 109.1 . . ?
C367_20 C385_20 H368_20 109.1 . . ?
C386_20 C385_20 H368_20 109.1 . . ?
H369_20 C385_20 H368_20 107.9 . . ?
C385_20 C386_20 H372_20 109.4 . . ?
C385_20 C386_20 H371_20 109.5 . . ?
H372_20 C386_20 H371_20 109.6 . . ?
C385_20 C386_20 H370_20 109.4 . . ?
H372_20 C386_20 H370_20 109.4 . . ?
H371_20 C386_20 H370_20 109.5 . . ?
C368_20 C387_20 C388_20 112.1(5) . . ?
C368_20 C387_20 H374_20 109.2 . . ?
C388_20 C387_20 H374_20 109.2 . . ?
C368_20 C387_20 H373_20 109.2 . . ?
C388_20 C387_20 H373_20 109.2 . . ?
H374_20 C387_20 H373_20 107.9 . . ?
C387_20 C388_20 H377_20 109.4 . . ?
C387_20 C388_20 H376_20 109.4 . . ?
H377_20 C388_20 H376_20 109.6 . . ?
C387_20 C388_20 H375_20 109.3 . . ?
H377_20 C388_20 H375_20 109.5 . . ?
H376_20 C388_20 H375_20 109.6 . . ?
C372_20 C389_20 C390_20 113.3(5) . . ?
C372_20 C389_20 H379_20 108.9 . . ?
C390_20 C389_20 H379_20 108.9 . . ?
C372_20 C389_20 H378_20 108.9 . . ?
C390_20 C389_20 H378_20 108.9 . . ?
H379_20 C389_20 H378_20 107.7 . . ?
C389_20 C390_20 H382_20 109.4 . . ?
C389_20 C390_20 H381_20 109.3 . . ?
H382_20 C390_20 H381_20 109.3 . . ?
C389_20 C390_20 H380_20 109.6 . . ?
H382_20 C390_20 H380_20 109.6 . . ?
H381_20 C390_20 H380_20 109.5 . . ?
C373_20 C391_20 C392_20 112.3(5) . . ?
C373_20 C391_20 H384_20 109.1 . . ?
C392_20 C391_20 H384_20 109.1 . . ?
C373_20 C391_20 H383_20 109.1 . . ?
C392_20 C391_20 H383_20 109.1 . . ?
H384_20 C391_20 H383_20 107.9 . . ?
C391_20 C392_20 H387_20 109.4 . . ?
C391_20 C392_20 H386_20 109.4 . . ?
H387_20 C392_20 H386_20 109.4 . . ?
C391_20 C392_20 H385_20 109.5 . . ?
H387_20 C392_20 H385_20 109.6 . . ?
H386_20 C392_20 H385_20 109.5 . . ?
C377_20 C393_20 C394_20 112.9(5) . . ?
C377_20 C393_20 H389_20 109.0 . . ?
C394_20 C393_20 H389_20 109.0 . . ?
C377_20 C393_20 H388_20 109.0 . . ?
C394_20 C393_20 H388_20 109.0 . . ?
H389_20 C393_20 H388_20 107.8 . . ?
C393_20 C394_20 H392_20 109.5 . . ?
C393_20 C394_20 H390_20 109.4 . . ?
H392_20 C394_20 H390_20 109.5 . . ?
C393_20 C394_20 H391_20 109.4 . . ?
H392_20 C394_20 H391_20 109.6 . . ?
H390_20 C394_20 H391_20 109.5 . . ?
N37_21 Ni7_21 N39_21 176.80(19) . . ?
N37_21 Ni7_21 N40_21 90.12(19) . . ?
N39_21 Ni7_21 N40_21 90.07(19) . . ?
N37_21 Ni7_21 N38_21 89.6(2) . . ?
N39_21 Ni7_21 N38_21 90.1(2) . . ?
N40_21 Ni7_21 N38_21 178.6(2) . . ?
C399_21 N37_21 C396_21 104.3(5) . . ?
C399_21 N37_21 Ni7_21 128.8(4) . . ?
C396_21 N37_21 Ni7_21 126.9(4) . . ?
C401_21 N38_21 C404_21 105.5(5) . . ?
C401_21 N38_21 Ni7_21 127.3(4) . . ?
C404_21 N38_21 Ni7_21 127.1(4) . . ?
C409_21 N39_21 C406_21 104.2(5) . . ?
C409_21 N39_21 Ni7_21 128.1(4) . . ?
C406_21 N39_21 Ni7_21 127.7(4) . . ?
C414_21 N40_21 C411_21 104.8(5) . . ?
C414_21 N40_21 Ni7_21 128.0(4) . . ?
C411_21 N40_21 Ni7_21 127.1(4) . . ?
C396_21 C395_21 C414_21 122.9(6) . . ?
C396_21 C395_21 H437_21 118.5 . . ?
C414_21 C395_21 H437_21 118.5 . . ?
C395_21 C396_21 N37_21 126.6(5) . . ?
C395_21 C396_21 C397_21 122.6(5) . . ?
N37_21 C396_21 C397_21 110.8(5) . . ?
C398_21 C397_21 C396_21 107.0(5) . . ?
C398_21 C397_21 C415_21 129.0(6) . . ?
C396_21 C397_21 C415_21 124.0(6) . . ?
C397_21 C398_21 C399_21 105.9(5) . . ?
C397_21 C398_21 C417_21 129.0(6) . . ?
C399_21 C398_21 C417_21 125.1(6) . . ?
N37_21 C399_21 C400_21 124.4(5) . . ?
N37_21 C399_21 C398_21 112.1(5) . . ?
C400_21 C399_21 C398_21 123.5(6) . . ?
C401_21 C400_21 C399_21 123.8(6) . . ?
C401_21 C400_21 H438_21 118.1 . . ?
C399_21 C400_21 H438_21 118.1 . . ?
N38_21 C401_21 C400_21 126.0(5) . . ?
N38_21 C401_21 C402_21 111.2(5) . . ?
C400_21 C401_21 C402_21 122.8(6) . . ?
C403_21 C402_21 C401_21 106.1(5) . . ?
C403_21 C402_21 C419_21 129.1(6) . . ?
C401_21 C402_21 C419_21 124.7(6) . . ?
C402_21 C403_21 C404_21 106.6(5) . . ?
C402_21 C403_21 C421_21 128.4(6) . . ?
C404_21 C403_21 C421_21 124.8(6) . . ?
C405_21 C404_21 N38_21 125.5(6) . . ?
C405_21 C404_21 C403_21 123.9(6) . . ?
N38_21 C404_21 C403_21 110.6(5) . . ?
C404_21 C405_21 C406_21 124.4(6) . . ?
C404_21 C405_21 H439_21 117.8 . . ?
C406_21 C405_21 H439_21 117.8 . . ?
N39_21 C406_21 C405_21 125.2(6) . . ?
N39_21 C406_21 C407_21 110.9(5) . . ?
C405_21 C406_21 C407_21 123.9(6) . . ?
C408_21 C407_21 C406_21 106.4(5) . . ?
C408_21 C407_21 C423_21 127.6(6) . . ?
C406_21 C407_21 C423_21 125.9(6) . . ?
C407_21 C408_21 C409_21 106.5(5) . . ?
C407_21 C408_21 C425_21 129.2(5) . . ?
C409_21 C408_21 C425_21 124.1(5) . . ?
N39_21 C409_21 C410_21 125.2(5) . . ?
N39_21 C409_21 C408_21 111.9(5) . . ?
C410_21 C409_21 C408_21 122.8(5) . . ?
C411_21 C410_21 C409_21 124.0(6) . . ?
C411_21 C410_21 H440_21 118.0 . . ?
C409_21 C410_21 H440_21 118.0 . . ?
C410_21 C411_21 N40_21 125.5(5) . . ?
C410_21 C411_21 C412_21 123.8(6) . . ?
N40_21 C411_21 C412_21 110.5(5) . . ?
C413_21 C412_21 C411_21 107.1(5) . . ?
C413_21 C412_21 C427_21 128.6(6) . . ?
C411_21 C412_21 C427_21 124.3(5) . . ?
C412_21 C413_21 C414_21 105.9(5) . . ?
C412_21 C413_21 C429_21 128.8(6) . . ?
C414_21 C413_21 C429_21 125.1(5) . . ?
N40_21 C414_21 C395_21 125.3(5) . . ?
N40_21 C414_21 C413_21 111.7(5) . . ?
C395_21 C414_21 C413_21 123.1(6) . . ?
C397_21 C415_21 C416_21 112.1(5) . . ?
C397_21 C415_21 H397_21 109.2 . . ?
C416_21 C415_21 H397_21 109.2 . . ?
C397_21 C415_21 H398_21 109.2 . . ?
C416_21 C415_21 H398_21 109.2 . . ?
H397_21 C415_21 H398_21 107.9 . . ?
C415_21 C416_21 H401_21 109.5 . . ?
C415_21 C416_21 H400_21 109.6 . . ?
H401_21 C416_21 H400_21 109.5 . . ?
C415_21 C416_21 H399_21 109.5 . . ?
H401_21 C416_21 H399_21 109.4 . . ?
H400_21 C416_21 H399_21 109.4 . . ?
C398_21 C417_21 C418_21 113.3(5) . . ?
C398_21 C417_21 H403_21 108.9 . . ?
C418_21 C417_21 H403_21 108.9 . . ?
C398_21 C417_21 H402_21 108.9 . . ?
C418_21 C417_21 H402_21 108.9 . . ?
H403_21 C417_21 H402_21 107.7 . . ?
C417_21 C418_21 H406_21 109.5 . . ?
C417_21 C418_21 H405_21 109.4 . . ?
H406_21 C418_21 H405_21 109.4 . . ?
C417_21 C418_21 H404_21 109.5 . . ?
H406_21 C418_21 H404_21 109.6 . . ?
H405_21 C418_21 H404_21 109.4 . . ?
C402_21 C419_21 C420_21 112.5(5) . . ?
C402_21 C419_21 H408_21 109.1 . . ?
C420_21 C419_21 H408_21 109.1 . . ?
C402_21 C419_21 H407_21 109.1 . . ?
C420_21 C419_21 H407_21 109.1 . . ?
H408_21 C419_21 H407_21 107.8 . . ?
C419_21 C420_21 H411_21 109.6 . . ?
C419_21 C420_21 H410_21 109.6 . . ?
H411_21 C420_21 H410_21 109.5 . . ?
C419_21 C420_21 H409_21 109.5 . . ?
H411_21 C420_21 H409_21 109.4 . . ?
H410_21 C420_21 H409_21 109.3 . . ?
C403_21 C421_21 C422_21 112.3(6) . . ?
C403_21 C421_21 H413_21 109.1 . . ?
C422_21 C421_21 H413_21 109.1 . . ?
C403_21 C421_21 H412_21 109.1 . . ?
C422_21 C421_21 H412_21 109.1 . . ?
H413_21 C421_21 H412_21 107.9 . . ?
C421_21 C422_21 H416_21 109.3 . . ?
C421_21 C422_21 H415_21 109.4 . . ?
H416_21 C422_21 H415_21 109.4 . . ?
C421_21 C422_21 H414_21 109.5 . . ?
H416_21 C422_21 H414_21 109.6 . . ?
H415_21 C422_21 H414_21 109.7 . . ?
C407_21 C423_21 C424_21 111.5(5) . . ?
C407_21 C423_21 H418_21 109.3 . . ?
C424_21 C423_21 H418_21 109.3 . . ?
C407_21 C423_21 H417_21 109.3 . . ?
C424_21 C423_21 H417_21 109.3 . . ?
H418_21 C423_21 H417_21 108.0 . . ?
C423_21 C424_21 H421_21 109.5 . . ?
C423_21 C424_21 H420_21 109.4 . . ?
H421_21 C424_21 H420_21 109.3 . . ?
C423_21 C424_21 H419_21 109.6 . . ?
H421_21 C424_21 H419_21 109.5 . . ?
H420_21 C424_21 H419_21 109.5 . . ?
C408_21 C425_21 C426_21 111.2(5) . . ?
C408_21 C425_21 H423_21 109.4 . . ?
C426_21 C425_21 H423_21 109.4 . . ?
C408_21 C425_21 H422_21 109.4 . . ?
C426_21 C425_21 H422_21 109.4 . . ?
H423_21 C425_21 H422_21 108.0 . . ?
C425_21 C426_21 H426_21 109.7 . . ?
C425_21 C426_21 H424_21 109.5 . . ?
H426_21 C426_21 H424_21 109.6 . . ?
C425_21 C426_21 H425_21 109.4 . . ?
H426_21 C426_21 H425_21 109.4 . . ?
H424_21 C426_21 H425_21 109.1 . . ?
C412_21 C427_21 C428_21 112.5(5) . . ?
C412_21 C427_21 H428_21 109.1 . . ?
C428_21 C427_21 H428_21 109.1 . . ?
C412_21 C427_21 H427_21 109.1 . . ?
C428_21 C427_21 H427_21 109.1 . . ?
H428_21 C427_21 H427_21 107.8 . . ?
C427_21 C428_21 H431_21 109.6 . . ?
C427_21 C428_21 H430_21 109.6 . . ?
H431_21 C428_21 H430_21 109.5 . . ?
C427_21 C428_21 H429_21 109.4 . . ?
H431_21 C428_21 H429_21 109.3 . . ?
H430_21 C428_21 H429_21 109.4 . . ?
C413_21 C429_21 C430_21 112.2(5) . . ?
C413_21 C429_21 H433_21 109.2 . . ?
C430_21 C429_21 H433_21 109.2 . . ?
C413_21 C429_21 H432_21 109.2 . . ?
C430_21 C429_21 H432_21 109.2 . . ?
H433_21 C429_21 H432_21 107.9 . . ?
C429_21 C430_21 H436_21 109.6 . . ?
C429_21 C430_21 H435_21 109.5 . . ?
H436_21 C430_21 H435_21 109.4 . . ?
C429_21 C430_21 H434_21 109.5 . . ?
H436_21 C430_21 H434_21 109.5 . . ?
H435_21 C430_21 H434_21 109.3 . . ?
N41_22 Ni5_22 N42_22 90.52(19) . . ?
N41_22 Ni5_22 N44_22 89.8(2) . . ?
N42_22 Ni5_22 N44_22 177.56(19) . . ?
N41_22 Ni5_22 N43_22 177.3(2) . . ?
N42_22 Ni5_22 N43_22 89.74(19) . . ?
N44_22 Ni5_22 N43_22 89.8(2) . . ?
C434_22 N41_22 C431_22 103.7(5) . . ?
C434_22 N41_22 Ni5_22 127.7(4) . . ?
C431_22 N41_22 Ni5_22 128.5(4) . . ?
C436_22 N42_22 C439_22 104.1(5) . . ?
C436_22 N42_22 Ni5_22 127.5(4) . . ?
C439_22 N42_22 Ni5_22 128.3(4) . . ?
C444_22 N43_22 C441_22 104.6(5) . . ?
C444_22 N43_22 Ni5_22 127.2(4) . . ?
C441_22 N43_22 Ni5_22 128.2(4) . . ?
C446_22 N44_22 C449_22 104.4(5) . . ?
C446_22 N44_22 Ni5_22 128.4(4) . . ?
C449_22 N44_22 Ni5_22 127.3(4) . . ?
C450_22 C431_22 N41_22 125.2(5) . . ?
C450_22 C431_22 C432_22 123.3(6) . . ?
N41_22 C431_22 C432_22 111.5(5) . . ?
C433_22 C432_22 C431_22 106.4(5) . . ?
C433_22 C432_22 C451_22 128.8(5) . . ?
C431_22 C432_22 C451_22 124.7(5) . . ?
C432_22 C433_22 C434_22 105.9(5) . . ?
C432_22 C433_22 C453_22 128.5(5) . . ?
C434_22 C433_22 C453_22 125.5(5) . . ?
N41_22 C434_22 C435_22 124.8(5) . . ?
N41_22 C434_22 C433_22 112.5(5) . . ?
C435_22 C434_22 C433_22 122.7(5) . . ?
C434_22 C435_22 C436_22 124.4(5) . . ?
C434_22 C435_22 H481_22 117.8 . . ?
C436_22 C435_22 H481_22 117.8 . . ?
N42_22 C436_22 C435_22 125.0(5) . . ?
N42_22 C436_22 C437_22 111.6(5) . . ?
C435_22 C436_22 C437_22 123.4(5) . . ?
C438_22 C437_22 C436_22 106.7(5) . . ?
C438_22 C437_22 C455_22 128.8(5) . . ?
C436_22 C437_22 C455_22 124.2(5) . . ?
C437_22 C438_22 C439_22 106.1(5) . . ?
C437_22 C438_22 C457_22 127.1(6) . . ?
C439_22 C438_22 C457_22 126.8(5) . . ?
N42_22 C439_22 C440_22 124.5(5) . . ?
N42_22 C439_22 C438_22 111.4(5) . . ?
C440_22 C439_22 C438_22 124.0(6) . . ?
C439_22 C440_22 C441_22 124.8(6) . . ?
C439_22 C440_22 H482_22 117.6 . . ?
C441_22 C440_22 H482_22 117.6 . . ?
N43_22 C441_22 C440_22 124.3(5) . . ?
N43_22 C441_22 C442_22 110.9(5) . . ?
C440_22 C441_22 C442_22 124.6(6) . . ?
C443_22 C442_22 C441_22 107.3(5) . . ?
C443_22 C442_22 C459_22 128.0(6) . . ?
C441_22 C442_22 C459_22 124.7(6) . . ?
C442_22 C443_22 C444_22 105.8(5) . . ?
C442_22 C443_22 C461_22 130.2(6) . . ?
C444_22 C443_22 C461_22 123.8(5) . . ?
C445_22 C444_22 N43_22 125.5(5) . . ?
C445_22 C444_22 C443_22 123.1(5) . . ?
N43_22 C444_22 C443_22 111.4(5) . . ?
C444_22 C445_22 C446_22 124.4(5) . . ?
C444_22 C445_22 H483_22 117.8 . . ?
C446_22 C445_22 H483_22 117.8 . . ?
N44_22 C446_22 C445_22 124.6(5) . . ?
N44_22 C446_22 C447_22 112.3(5) . . ?
C445_22 C446_22 C447_22 123.1(5) . . ?
C448_22 C447_22 C446_22 106.0(5) . . ?
C448_22 C447_22 C463_22 128.6(6) . . ?
C446_22 C447_22 C463_22 125.4(5) . . ?
C447_22 C448_22 C449_22 106.1(5) . . ?
C447_22 C448_22 C465_22 128.8(6) . . ?
C449_22 C448_22 C465_22 125.0(6) . . ?
C450_22 C449_22 N44_22 126.1(6) . . ?
C450_22 C449_22 C448_22 122.7(6) . . ?
N44_22 C449_22 C448_22 111.2(5) . . ?
C431_22 C450_22 C449_22 123.1(6) . . ?
C431_22 C450_22 H484_22 118.5 . . ?
C449_22 C450_22 H484_22 118.5 . . ?
C432_22 C451_22 C452_22 112.5(5) . . ?
C432_22 C451_22 H442_22 109.1 . . ?
C452_22 C451_22 H442_22 109.1 . . ?
C432_22 C451_22 H441_22 109.1 . . ?
C452_22 C451_22 H441_22 109.1 . . ?
H442_22 C451_22 H441_22 107.8 . . ?
C451_22 C452_22 H445_22 109.6 . . ?
C451_22 C452_22 H444_22 109.5 . . ?
H445_22 C452_22 H444_22 109.3 . . ?
C451_22 C452_22 H443_22 109.6 . . ?
H445_22 C452_22 H443_22 109.4 . . ?
H444_22 C452_22 H443_22 109.4 . . ?
C433_22 C453_22 C454_22 113.4(5) . . ?
C433_22 C453_22 H447_22 108.9 . . ?
C454_22 C453_22 H447_22 108.9 . . ?
C433_22 C453_22 H446_22 108.9 . . ?
C454_22 C453_22 H446_22 108.9 . . ?
H447_22 C453_22 H446_22 107.7 . . ?
C453_22 C454_22 H450_22 109.3 . . ?
C453_22 C454_22 H449_22 109.3 . . ?
H450_22 C454_22 H449_22 109.5 . . ?
C453_22 C454_22 H448_22 109.4 . . ?
H450_22 C454_22 H448_22 109.7 . . ?
H449_22 C454_22 H448_22 109.6 . . ?
C437_22 C455_22 C456_22 112.3(5) . . ?
C437_22 C455_22 H452_22 109.2 . . ?
C456_22 C455_22 H452_22 109.2 . . ?
C437_22 C455_22 H451_22 109.2 . . ?
C456_22 C455_22 H451_22 109.2 . . ?
H452_22 C455_22 H451_22 107.9 . . ?
C455_22 C456_22 H455_22 109.4 . . ?
C455_22 C456_22 H454_22 109.4 . . ?
H455_22 C456_22 H454_22 109.4 . . ?
C455_22 C456_22 H453_22 109.5 . . ?
H455_22 C456_22 H453_22 109.5 . . ?
H454_22 C456_22 H453_22 109.5 . . ?
C438_22 C457_22 C458_22 112.6(5) . . ?
C438_22 C457_22 H457_22 109.1 . . ?
C458_22 C457_22 H457_22 109.1 . . ?
C438_22 C457_22 H456_22 109.1 . . ?
C458_22 C457_22 H456_22 109.1 . . ?
H457_22 C457_22 H456_22 107.8 . . ?
C457_22 C458_22 H460_22 109.3 . . ?
C457_22 C458_22 H459_22 109.4 . . ?
H460_22 C458_22 H459_22 109.2 . . ?
C457_22 C458_22 H458_22 109.7 . . ?
H460_22 C458_22 H458_22 109.6 . . ?
H459_22 C458_22 H458_22 109.6 . . ?
C442_22 C459_22 C460_22 111.7(5) . . ?
C442_22 C459_22 H462_22 109.3 . . ?
C460_22 C459_22 H462_22 109.3 . . ?
C442_22 C459_22 H461_22 109.3 . . ?
C460_22 C459_22 H461_22 109.3 . . ?
H462_22 C459_22 H461_22 107.9 . . ?
C459_22 C460_22 H465_22 109.5 . . ?
C459_22 C460_22 H464_22 109.5 . . ?
H465_22 C460_22 H464_22 109.5 . . ?
C459_22 C460_22 H463_22 109.4 . . ?
H465_22 C460_22 H463_22 109.4 . . ?
H464_22 C460_22 H463_22 109.5 . . ?
C443_22 C461_22 C462_22 112.8(5) . . ?
C443_22 C461_22 H467_22 109.0 . . ?
C462_22 C461_22 H467_22 109.0 . . ?
C443_22 C461_22 H466_22 109.0 . . ?
C462_22 C461_22 H466_22 109.0 . . ?
H467_22 C461_22 H466_22 107.8 . . ?
C461_22 C462_22 H470_22 109.5 . . ?
C461_22 C462_22 H469_22 109.6 . . ?
H470_22 C462_22 H469_22 109.5 . . ?
C461_22 C462_22 H468_22 109.5 . . ?
H470_22 C462_22 H468_22 109.4 . . ?
H469_22 C462_22 H468_22 109.4 . . ?
C447_22 C463_22 C464_22 112.9(5) . . ?
C447_22 C463_22 H472_22 109.0 . . ?
C464_22 C463_22 H472_22 109.0 . . ?
C447_22 C463_22 H471_22 109.0 . . ?
C464_22 C463_22 H471_22 109.0 . . ?
H472_22 C463_22 H471_22 107.8 . . ?
C463_22 C464_22 H475_22 109.7 . . ?
C463_22 C464_22 H474_22 109.6 . . ?
H475_22 C464_22 H474_22 109.4 . . ?
C463_22 C464_22 H473_22 109.5 . . ?
H475_22 C464_22 H473_22 109.3 . . ?
H474_22 C464_22 H473_22 109.2 . . ?
C448_22 C465_22 C466_22 111.6(5) . . ?
C448_22 C465_22 H477_22 109.3 . . ?
C466_22 C465_22 H477_22 109.3 . . ?
C448_22 C465_22 H476_22 109.3 . . ?
C466_22 C465_22 H476_22 109.3 . . ?
H477_22 C465_22 H476_22 108.0 . . ?
C465_22 C466_22 H480_22 109.5 . . ?
C465_22 C466_22 H479_22 109.4 . . ?
H480_22 C466_22 H479_22 109.5 . . ?
C465_22 C466_22 H478_22 109.4 . . ?
H480_22 C466_22 H478_22 109.6 . . ?
H479_22 C466_22 H478_22 109.5 . . ?
N46_23 Ni6_23 N47_23 90.3(2) . . ?
N46_23 Ni6_23 N48_23 177.02(19) . . ?
N47_23 Ni6_23 N48_23 89.87(19) . . ?
N46_23 Ni6_23 N45_23 90.1(2) . . ?
N47_23 Ni6_23 N45_23 178.73(18) . . ?
N48_23 Ni6_23 N45_23 89.73(19) . . ?
C469_23 N45_23 C486_23 104.7(5) . . ?
C469_23 N45_23 Ni6_23 127.3(4) . . ?
C486_23 N45_23 Ni6_23 128.0(4) . . ?
C471_23 N46_23 C474_23 103.8(5) . . ?
C471_23 N46_23 Ni6_23 128.4(4) . . ?
C474_23 N46_23 Ni6_23 127.8(4) . . ?
C476_23 N47_23 C479_23 104.0(5) . . ?
C476_23 N47_23 Ni6_23 127.8(4) . . ?
C479_23 N47_23 Ni6_23 128.1(4) . . ?
C481_23 N48_23 C484_23 104.9(5) . . ?
C481_23 N48_23 Ni6_23 127.5(4) . . ?
C484_23 N48_23 Ni6_23 127.6(4) . . ?
C468_23 C467_23 C486_23 106.7(5) . . ?
C468_23 C467_23 C487_23 128.1(6) . . ?
C486_23 C467_23 C487_23 125.1(6) . . ?
C467_23 C468_23 C469_23 105.8(5) . . ?
C467_23 C468_23 C489_23 129.1(5) . . ?
C469_23 C468_23 C489_23 125.0(5) . . ?
N45_23 C469_23 C470_23 125.9(5) . . ?
N45_23 C469_23 C468_23 111.9(5) . . ?
C470_23 C469_23 C468_23 122.2(5) . . ?
C469_23 C470_23 C471_23 124.0(5) . . ?
C469_23 C470_23 H525_23 118.0 . . ?
C471_23 C470_23 H525_23 118.0 . . ?
N46_23 C471_23 C470_23 124.2(5) . . ?
N46_23 C471_23 C472_23 111.8(5) . . ?
C470_23 C471_23 C472_23 124.0(5) . . ?
C473_23 C472_23 C471_23 106.8(5) . . ?
C473_23 C472_23 C491_23 127.7(6) . . ?
C471_23 C472_23 C491_23 125.5(5) . . ?
C472_23 C473_23 C474_23 105.6(5) . . ?
C472_23 C473_23 C493_23 129.7(6) . . ?
C474_23 C473_23 C493_23 124.7(6) . . ?
N46_23 C474_23 C475_23 125.7(5) . . ?
N46_23 C474_23 C473_23 112.0(5) . . ?
C475_23 C474_23 C473_23 122.3(5) . . ?
C476_23 C475_23 C474_23 123.2(6) . . ?
C476_23 C475_23 H526_23 118.4 . . ?
C474_23 C475_23 H526_23 118.4 . . ?
N47_23 C476_23 C475_23 125.2(5) . . ?
N47_23 C476_23 C477_23 111.8(5) . . ?
C475_23 C476_23 C477_23 122.9(5) . . ?
C478_23 C477_23 C476_23 106.0(5) . . ?
C478_23 C477_23 C495_23 128.5(6) . . ?
C476_23 C477_23 C495_23 125.4(5) . . ?
C477_23 C478_23 C479_23 107.2(5) . . ?
C477_23 C478_23 C497_23 128.5(5) . . ?
C479_23 C478_23 C497_23 124.2(5) . . ?
C480_23 C479_23 N47_23 124.8(5) . . ?
C480_23 C479_23 C478_23 124.2(6) . . ?
N47_23 C479_23 C478_23 111.0(5) . . ?
C479_23 C480_23 C481_23 124.0(6) . . ?
C479_23 C480_23 H527_23 118.0 . . ?
C481_23 C480_23 H527_23 118.0 . . ?
N48_23 C481_23 C480_23 125.7(5) . . ?
N48_23 C481_23 C482_23 111.6(5) . . ?
C480_23 C481_23 C482_23 122.7(5) . . ?
C483_23 C482_23 C481_23 106.5(5) . . ?
C483_23 C482_23 C499_23 128.6(6) . . ?
C481_23 C482_23 C499_23 124.7(5) . . ?
C482_23 C483_23 C484_23 106.4(5) . . ?
C482_23 C483_23 C501_23 128.6(6) . . ?
C484_23 C483_23 C501_23 125.0(6) . . ?
C485_23 C484_23 N48_23 125.2(5) . . ?
C485_23 C484_23 C483_23 124.2(6) . . ?
N48_23 C484_23 C483_23 110.6(5) . . ?
C484_23 C485_23 C486_23 124.4(6) . . ?
C484_23 C485_23 H528_23 117.8 . . ?
C486_23 C485_23 H528_23 117.8 . . ?
N45_23 C486_23 C485_23 124.9(5) . . ?
N45_23 C486_23 C467_23 110.9(5) . . ?
C485_23 C486_23 C467_23 124.2(6) . . ?
C467_23 C487_23 C488_23 112.4(6) . . ?
C467_23 C487_23 H486_23 109.1 . . ?
C488_23 C487_23 H486_23 109.1 . . ?
C467_23 C487_23 H485_23 109.1 . . ?
C488_23 C487_23 H485_23 109.1 . . ?
H486_23 C487_23 H485_23 107.8 . . ?
C487_23 C488_23 H489_23 109.5 . . ?
C487_23 C488_23 H488_23 109.4 . . ?
H489_23 C488_23 H488_23 109.2 . . ?
C487_23 C488_23 H487_23 109.7 . . ?
H489_23 C488_23 H487_23 109.6 . . ?
H488_23 C488_23 H487_23 109.4 . . ?
C468_23 C489_23 C490_23 112.7(5) . . ?
C468_23 C489_23 H491_23 109.1 . . ?
C490_23 C489_23 H491_23 109.1 . . ?
C468_23 C489_23 H490_23 109.1 . . ?
C490_23 C489_23 H490_23 109.1 . . ?
H491_23 C489_23 H490_23 107.8 . . ?
C489_23 C490_23 H494_23 109.4 . . ?
C489_23 C490_23 H493_23 109.5 . . ?
H494_23 C490_23 H493_23 109.4 . . ?
C489_23 C490_23 H492_23 109.5 . . ?
H494_23 C490_23 H492_23 109.5 . . ?
H493_23 C490_23 H492_23 109.5 . . ?
C472_23 C491_23 C492_23 113.6(5) . . ?
C472_23 C491_23 H496_23 108.9 . . ?
C492_23 C491_23 H496_23 108.9 . . ?
C472_23 C491_23 H495_23 108.9 . . ?
C492_23 C491_23 H495_23 108.9 . . ?
H496_23 C491_23 H495_23 107.7 . . ?
C491_23 C492_23 H499_23 109.5 . . ?
C491_23 C492_23 H498_23 109.5 . . ?
H499_23 C492_23 H498_23 109.5 . . ?
C491_23 C492_23 H497_23 109.4 . . ?
H499_23 C492_23 H497_23 109.4 . . ?
H498_23 C492_23 H497_23 109.4 . . ?
C473_23 C493_23 C494_23 112.3(5) . . ?
C473_23 C493_23 H501_23 109.1 . . ?
C494_23 C493_23 H501_23 109.1 . . ?
C473_23 C493_23 H500_23 109.1 . . ?
C494_23 C493_23 H500_23 109.1 . . ?
H501_23 C493_23 H500_23 107.9 . . ?
C493_23 C494_23 H504_23 109.5 . . ?
C493_23 C494_23 H503_23 109.5 . . ?
H504_23 C494_23 H503_23 109.5 . . ?
C493_23 C494_23 H502_23 109.4 . . ?
H504_23 C494_23 H502_23 109.5 . . ?
H503_23 C494_23 H502_23 109.5 . . ?
C477_23 C495_23 C496_23 112.5(5) . . ?
C477_23 C495_23 H506_23 109.1 . . ?
C496_23 C495_23 H506_23 109.1 . . ?
C477_23 C495_23 H505_23 109.1 . . ?
C496_23 C495_23 H505_23 109.1 . . ?
H506_23 C495_23 H505_23 107.8 . . ?
C495_23 C496_23 H509_23 109.5 . . ?
C495_23 C496_23 H508_23 109.7 . . ?
H509_23 C496_23 H508_23 109.3 . . ?
C495_23 C496_23 H507_23 109.6 . . ?
H509_23 C496_23 H507_23 109.3 . . ?
H508_23 C496_23 H507_23 109.5 . . ?
C478_23 C497_23 C498_23 113.0(5) . . ?
C478_23 C497_23 H511_23 109.0 . . ?
C498_23 C497_23 H511_23 109.0 . . ?
C478_23 C497_23 H510_23 109.0 . . ?
C498_23 C497_23 H510_23 109.0 . . ?
H511_23 C497_23 H510_23 107.8 . . ?
C497_23 C498_23 H514_23 109.5 . . ?
C497_23 C498_23 H513_23 109.4 . . ?
H514_23 C498_23 H513_23 109.4 . . ?
C497_23 C498_23 H512_23 109.5 . . ?
H514_23 C498_23 H512_23 109.5 . . ?
H513_23 C498_23 H512_23 109.5 . . ?
C482_23 C499_23 C500_23 110.7(5) . . ?
C482_23 C499_23 H516_23 109.5 . . ?
C500_23 C499_23 H516_23 109.5 . . ?
C482_23 C499_23 H515_23 109.5 . . ?
C500_23 C499_23 H515_23 109.5 . . ?
H516_23 C499_23 H515_23 108.1 . . ?
C499_23 C500_23 H519_23 109.6 . . ?
C499_23 C500_23 H518_23 109.5 . . ?
H519_23 C500_23 H518_23 109.5 . . ?
C499_23 C500_23 H517_23 109.4 . . ?
H519_23 C500_23 H517_23 109.4 . . ?
H518_23 C500_23 H517_23 109.3 . . ?
C483_23 C501_23 C502_23 111.4(6) . . ?
C483_23 C501_23 H521_23 109.3 . . ?
C502_23 C501_23 H521_23 109.3 . . ?
C483_23 C501_23 H520_23 109.3 . . ?
C502_23 C501_23 H520_23 109.3 . . ?
H521_23 C501_23 H520_23 108.0 . . ?
C501_23 C502_23 H524_23 109.4 . . ?
C501_23 C502_23 H523_23 109.4 . . ?
H524_23 C502_23 H523_23 109.7 . . ?
C501_23 C502_23 H522_23 109.3 . . ?
H524_23 C502_23 H522_23 109.5 . . ?
H523_23 C502_23 H522_23 109.6 . . ?
C509 C503 C504 116.7(7) . . ?
C509 C503 C510 121.6(6) . . ?
C504 C503 C510 121.7(7) . . ?
C505 C504 C503 121.4(7) . . ?
C505 C504 H50A 119.3 . . ?
C503 C504 H50A 119.3 . . ?
C506 C505 C504 121.7(7) . . ?
C506 C505 H50B 119.1 . . ?
C504 C505 H50B 119.1 . . ?
C505 C506 C508 116.6(7) . . ?
C505 C506 C507 121.6(6) . . ?
C508 C506 C507 121.8(7) . . ?
C506 C507 H50C 109.5 . . ?
C506 C507 H50D 109.4 . . ?
H50C C507 H50D 109.5 . . ?
C506 C507 H50E 109.4 . . ?
H50C C507 H50E 109.5 . . ?
H50D C507 H50E 109.5 . . ?
C509 C508 C506 121.7(7) . . ?
C509 C508 H50F 119.1 . . ?
C506 C508 H50F 119.1 . . ?
C508 C509 C503 121.8(7) . . ?
C508 C509 H50G 119.1 . . ?
C503 C509 H50G 119.1 . . ?
C503 C510 H51A 109.5 . . ?
C503 C510 H51B 109.5 . . ?
H51A C510 H51B 109.5 . . ?
C503 C510 H51C 109.5 . . ?
H51A C510 H51C 109.4 . . ?
H51B C510 H51C 109.5 . . ?
C512 C511 C517 116.8(7) . . ?
C512 C511 C518 121.8(7) . . ?
C517 C511 C518 121.3(7) . . ?
C513 C512 C511 122.0(7) . . ?
C513 C512 H51D 119.0 . . ?
C511 C512 H51D 119.0 . . ?
C512 C513 C514 121.1(7) . . ?
C512 C513 H51E 119.4 . . ?
C514 C513 H51E 119.4 . . ?
C516 C514 C513 117.3(7) . . ?
C516 C514 C515 121.8(7) . . ?
C513 C514 C515 120.9(6) . . ?
C514 C515 H51F 109.4 . . ?
C514 C515 H51G 109.5 . . ?
H51F C515 H51G 109.5 . . ?
C514 C515 H51H 109.4 . . ?
H51F C515 H51H 109.4 . . ?
H51G C515 H51H 109.5 . . ?
C514 C516 C517 121.8(7) . . ?
C514 C516 H51I 119.1 . . ?
C517 C516 H51I 119.1 . . ?
C516 C517 C511 120.9(7) . . ?
C516 C517 H51J 119.6 . . ?
C511 C517 H51J 119.6 . . ?
C511 C518 H51K 109.6 . . ?
C511 C518 H51L 109.5 . . ?
H51K C518 H51L 109.4 . . ?
C511 C518 H51M 109.5 . . ?
H51K C518 H51M 109.4 . . ?
H51L C518 H51M 109.4 . . ?
C525 C519 C520 118.2(8) . . ?
C525 C519 C526 120.1(8) . . ?
C520 C519 C526 121.6(8) . . ?
C521 C520 C519 120.8(8) . . ?
C521 C520 H52A 119.6 . . ?
C519 C520 H52A 119.6 . . ?
C520 C521 C522 121.8(8) . . ?
C520 C521 H52B 119.1 . . ?
C522 C521 H52B 119.1 . . ?
C524 C522 C521 117.4(8) . . ?
C524 C522 C523 120.9(7) . . ?
C521 C522 C523 121.6(8) . . ?
C522 C523 H52C 109.5 . . ?
C522 C523 H52D 109.4 . . ?
H52C C523 H52D 109.6 . . ?
C522 C523 H52E 109.4 . . ?
H52C C523 H52E 109.6 . . ?
H52D C523 H52E 109.4 . . ?
C522 C524 C525 120.9(7) . . ?
C522 C524 H52F 119.6 . . ?
C525 C524 H52F 119.6 . . ?
C519 C525 C524 120.8(8) . . ?
C519 C525 H52G 119.6 . . ?
C524 C525 H52G 119.6 . . ?
C519 C526 H52H 109.5 . . ?
C519 C526 H52I 109.5 . . ?
H52H C526 H52I 109.6 . . ?
C519 C526 H52J 109.4 . . ?
H52H C526 H52J 109.4 . . ?
H52I C526 H52J 109.4 . . ?
C533 C527 C528 116.5(8) . . ?
C533 C527 C534 121.7(7) . . ?
C528 C527 C534 121.9(7) . . ?
C529 C528 C527 121.7(7) . . ?
C529 C528 H52K 119.1 . . ?
C527 C528 H52K 119.1 . . ?
C528 C529 C530 121.1(7) . . ?
C528 C529 H52L 119.4 . . ?
C530 C529 H52L 119.4 . . ?
C532 C530 C529 117.7(8) . . ?
C532 C530 C531 120.9(7) . . ?
C529 C530 C531 121.3(7) . . ?
C530 C531 H53A 109.5 . . ?
C530 C531 H53B 109.6 . . ?
H53A C531 H53B 109.5 . . ?
C530 C531 H53C 109.5 . . ?
H53A C531 H53C 109.2 . . ?
H53B C531 H53C 109.5 . . ?
C533 C532 C530 121.0(7) . . ?
C533 C532 H53D 119.5 . . ?
C530 C532 H53D 119.5 . . ?
C532 C533 C527 122.0(7) . . ?
C532 C533 H53E 119.0 . . ?
C527 C533 H53E 119.0 . . ?
C527 C534 H53F 109.5 . . ?
C527 C534 H53G 109.5 . . ?
H53F C534 H53G 109.6 . . ?
C527 C534 H53H 109.4 . . ?
H53F C534 H53H 109.5 . . ?
H53G C534 H53H 109.5 . . ?
C536 C535 C541 118.5(9) . . ?
C536 C535 C542 121.4(8) . . ?
C541 C535 C542 120.1(8) . . ?
C535 C536 C537 121.1(8) . . ?
C535 C536 H53I 119.4 . . ?
C537 C536 H53I 119.4 . . ?
C538 C537 C536 121.0(8) . . ?
C538 C537 H53J 119.5 . . ?
C536 C537 H53J 119.5 . . ?
C537 C538 C540 117.2(9) . . ?
C537 C538 C539 121.7(8) . . ?
C540 C538 C539 121.0(8) . . ?
C538 C539 H53K 109.4 . . ?
C538 C539 H53L 109.4 . . ?
H53K C539 H53L 109.4 . . ?
C538 C539 H53M 109.5 . . ?
H53K C539 H53M 109.6 . . ?
H53L C539 H53M 109.5 . . ?
C541 C540 C538 122.0(8) . . ?
C541 C540 H54A 119.0 . . ?
C538 C540 H54A 119.0 . . ?
C535 C541 C540 120.1(8) . . ?
C535 C541 H54B 120.0 . . ?
C540 C541 H54B 120.0 . . ?
C535 C542 H54C 109.8 . . ?
C535 C542 H54D 109.7 . . ?
H54C C542 H54D 109.1 . . ?
C535 C542 H54E 109.8 . . ?
H54C C542 H54E 109.3 . . ?
H54D C542 H54E 109.1 . . ?
C549 C543 C544 116.0(7) . . ?
C549 C543 C550 122.3(7) . . ?
C544 C543 C550 121.7(6) . . ?
C545 C544 C543 122.1(7) . . ?
C545 C544 H54F 118.9 . . ?
C543 C544 H54F 118.9 . . ?
C544 C545 C546 121.9(7) . . ?
C544 C545 H54G 119.1 . . ?
C546 C545 H54G 119.1 . . ?
C545 C546 C548 116.7(7) . . ?
C545 C546 C547 122.4(7) . . ?
C548 C546 C547 120.9(6) . . ?
C546 C547 H54H 109.4 . . ?
C546 C547 H54I 109.3 . . ?
H54H C547 H54I 109.5 . . ?
C546 C547 H54J 109.4 . . ?
H54H C547 H54J 109.7 . . ?
H54I C547 H54J 109.5 . . ?
C549 C548 C546 120.6(7) . . ?
C549 C548 H54K 119.7 . . ?
C546 C548 H54K 119.7 . . ?
C548 C549 C543 122.8(7) . . ?
C548 C549 H54L 118.6 . . ?
C543 C549 H54L 118.6 . . ?
C543 C550 H55A 109.6 . . ?
C543 C550 H55B 109.6 . . ?
H55A C550 H55B 109.4 . . ?
C543 C550 H55C 109.5 . . ?
H55A C550 H55C 109.3 . . ?
H55B C550 H55C 109.4 . . ?
C552 C551 C557 117.5(9) . . ?
C552 C551 C558 121.5(8) . . ?
C557 C551 C558 121.0(9) . . ?
C551 C552 C553 121.2(8) . . ?
C551 C552 H55D 119.4 . . ?
C553 C552 H55D 119.4 . . ?
C552 C553 C554 122.0(8) . . ?
C552 C553 H55E 119.0 . . ?
C554 C553 H55E 119.0 . . ?
C556 C554 C553 116.1(9) . . ?
C556 C554 C555 121.5(8) . . ?
C553 C554 C555 122.4(9) . . ?
C554 C555 H55F 109.6 . . ?
C554 C555 H55G 109.4 . . ?
H55F C555 H55G 109.5 . . ?
C554 C555 H55H 109.4 . . ?
H55F C555 H55H 109.6 . . ?
H55G C555 H55H 109.3 . . ?
C557 C556 C554 122.1(8) . . ?
C557 C556 H55I 118.9 . . ?
C554 C556 H55I 118.9 . . ?
C556 C557 C551 121.0(9) . . ?
C556 C557 H55J 119.5 . . ?
C551 C557 H55J 119.5 . . ?
C551 C558 H55K 109.7 . . ?
C551 C558 H55L 109.6 . . ?
H55K C558 H55L 109.3 . . ?
C551 C558 H55M 109.6 . . ?
H55K C558 H55M 109.4 . . ?
H55L C558 H55M 109.3 . . ?
C560 C559 C565 117.0(8) . . ?
C560 C559 C566 121.6(7) . . ?
C565 C559 C566 121.4(7) . . ?
C561 C560 C559 121.9(7) . . ?
C561 C560 H56A 119.1 . . ?
C559 C560 H56A 119.1 . . ?
C560 C561 C562 120.3(7) . . ?
C560 C561 H56B 119.8 . . ?
C562 C561 H56B 119.8 . . ?
C563 C562 C561 117.8(8) . . ?
C563 C562 C564 122.1(7) . . ?
C561 C562 C564 120.1(7) . . ?
C565 C563 C562 121.3(7) . . ?
C565 C563 H56C 119.4 . . ?
C562 C563 H56C 119.4 . . ?
C562 C564 H56D 109.4 . . ?
C562 C564 H56E 109.4 . . ?
H56D C564 H56E 109.5 . . ?
C562 C564 H56F 109.5 . . ?
H56D C564 H56F 109.6 . . ?
H56E C564 H56F 109.6 . . ?
C563 C565 C559 121.7(8) . . ?
C563 C565 H56G 119.1 . . ?
C559 C565 H56G 119.1 . . ?
C559 C566 H56H 109.5 . . ?
C559 C566 H56I 109.5 . . ?
H56H C566 H56I 109.5 . . ?
C559 C566 H56J 109.5 . . ?
H56H C566 H56J 109.5 . . ?
H56I C566 H56J 109.4 . . ?
C573 C567 C568 119.0(8) . . ?
C573 C567 C574 121.7(8) . . ?
C568 C567 C574 119.3(9) . . ?
C567 C568 C569 119.3(8) . . ?
C567 C568 H56K 120.3 . . ?
C569 C568 H56K 120.3 . . ?
C570 C569 C568 121.5(8) . . ?
C570 C569 H56L 119.3 . . ?
C568 C569 H56L 119.3 . . ?
C572 C570 C569 118.4(8) . . ?
C572 C570 C571 119.7(8) . . ?
C569 C570 C571 121.8(8) . . ?
C570 C571 H57A 109.9 . . ?
C570 C571 H57B 109.9 . . ?
H57A C571 H57B 109.2 . . ?
C570 C571 H57C 109.7 . . ?
H57A C571 H57C 109.1 . . ?
H57B C571 H57C 109.0 . . ?
C570 C572 C573 120.3(8) . . ?
C570 C572 H57D 119.9 . . ?
C573 C572 H57D 119.9 . . ?
C567 C573 C572 121.5(8) . . ?
C567 C573 H57E 119.2 . . ?
C572 C573 H57E 119.2 . . ?
C567 C574 H57F 109.8 . . ?
C567 C574 H57G 109.7 . . ?
H57F C574 H57G 109.5 . . ?
C567 C574 H57H 109.5 . . ?
H57F C574 H57H 109.3 . . ?
H57G C574 H57H 109.1 . . ?
C576 C575 C581 117.6(9) . . ?
C576 C575 C582 121.6(9) . . ?
C581 C575 C582 120.6(8) . . ?
C575 C576 C577 122.2(8) . . ?
C575 C576 H57I 118.9 . . ?
C577 C576 H57I 118.9 . . ?
C578 C577 C576 119.8(7) . . ?
C578 C577 H57J 120.1 . . ?
C576 C577 H57J 120.1 . . ?
C580 C578 C577 118.4(8) . . ?
C580 C578 C579 121.6(8) . . ?
C577 C578 C579 119.9(8) . . ?
C578 C579 H57K 109.5 . . ?
C578 C579 H57L 109.6 . . ?
H57K C579 H57L 109.3 . . ?
C578 C579 H57M 109.6 . . ?
H57K C579 H57M 109.3 . . ?
H57L C579 H57M 109.5 . . ?
C581 C580 C578 121.6(8) . . ?
C581 C580 H58A 119.2 . . ?
C578 C580 H58A 119.2 . . ?
C580 C581 C575 120.3(8) . . ?
C580 C581 H58B 119.8 . . ?
C575 C581 H58B 119.8 . . ?
C575 C582 H58C 109.5 . . ?
C575 C582 H58D 109.2 . . ?
H58C C582 H58D 109.2 . . ?
C575 C582 H58E 109.7 . . ?
H58C C582 H58E 109.8 . . ?
H58D C582 H58E 109.4 . . ?
C584 C583 C589 116.9(7) . . ?
C584 C583 C590 121.1(7) . . ?
C589 C583 C590 122.1(7) . . ?
C585 C584 C583 121.9(7) . . ?
C585 C584 H58F 119.1 . . ?
C583 C584 H58F 119.1 . . ?
C584 C585 C586 120.7(7) . . ?
C584 C585 H58G 119.6 . . ?
C586 C585 H58G 119.6 . . ?
C588 C586 C585 117.2(7) . . ?
C588 C586 C587 121.2(7) . . ?
C585 C586 C587 121.7(7) . . ?
C586 C587 H58H 109.5 . . ?
C586 C587 H58I 109.5 . . ?
H58H C587 H58I 109.4 . . ?
C586 C587 H58J 109.5 . . ?
H58H C587 H58J 109.5 . . ?
H58I C587 H58J 109.5 . . ?
C589 C588 C586 121.6(7) . . ?
C589 C588 H58K 119.2 . . ?
C586 C588 H58K 119.2 . . ?
C588 C589 C583 121.7(7) . . ?
C588 C589 H58L 119.1 . . ?
C583 C589 H58L 119.1 . . ?
C583 C590 H59A 109.4 . . ?
C583 C590 H59B 109.5 . . ?
H59A C590 H59B 109.4 . . ?
C583 C590 H59C 109.6 . . ?
H59A C590 H59C 109.5 . . ?
H59B C590 H59C 109.5 . . ?
C597 C591 C592 116.9(10) . . ?
C597 C591 C598 121.0(9) . . ?
C592 C591 C598 122.0(9) . . ?
C593 C592 C591 121.8(9) . . ?
C593 C592 H59D 119.1 . . ?
C591 C592 H59D 119.1 . . ?
C594 C593 C592 120.5(9) . . ?
C594 C593 H59E 119.7 . . ?
C592 C593 H59E 119.7 . . ?
C593 C594 C596 118.6(10) . . ?
C593 C594 C595 122.0(9) . . ?
C596 C594 C595 119.4(9) . . ?
C594 C595 H59F 109.5 . . ?
C594 C595 H59G 109.5 . . ?
H59F C595 H59G 109.5 . . ?
C594 C595 H59H 109.5 . . ?
H59F C595 H59H 109.5 . . ?
H59G C595 H59H 109.5 . . ?
C597 C596 C594 120.9(8) . . ?
C597 C596 H59I 119.6 . . ?
C594 C596 H59I 119.6 . . ?
C596 C597 C591 121.2(8) . . ?
C596 C597 H59J 119.4 . . ?
C591 C597 H59J 119.4 . . ?
C591 C598 H59K 109.7 . . ?
C591 C598 H59L 109.6 . . ?
H59K C598 H59L 109.3 . . ?
C591 C598 H59M 109.6 . . ?
H59K C598 H59M 109.3 . . ?
H59L C598 H59M 109.2 . . ?
C605 C599 C600 118.8(8) . . ?
C605 C599 C606 122.2(8) . . ?
C600 C599 C606 119.0(8) . . ?
C599 C600 C601 120.2(8) . . ?
C599 C600 H60A 119.9 . . ?
C601 C600 H60A 119.9 . . ?
C602 C601 C600 120.7(8) . . ?
C602 C601 H60B 119.6 . . ?
C600 C601 H60B 119.6 . . ?
C604 C602 C601 117.5(9) . . ?
C604 C602 C603 122.3(8) . . ?
C601 C602 C603 120.1(7) . . ?
C602 C603 H60C 109.4 . . ?
C602 C603 H60D 109.5 . . ?
H60C C603 H60D 109.4 . . ?
C602 C603 H60E 109.5 . . ?
H60C C603 H60E 109.4 . . ?
H60D C603 H60E 109.6 . . ?
C602 C604 C605 122.8(8) . . ?
C602 C604 H60F 118.6 . . ?
C605 C604 H60F 118.6 . . ?
C599 C605 C604 119.9(8) . . ?
C599 C605 H60G 120.0 . . ?
C604 C605 H60G 120.0 . . ?
C599 C606 H60H 109.5 . . ?
C599 C606 H60I 109.3 . . ?
H60H C606 H60I 109.5 . . ?
C599 C606 H60J 109.5 . . ?
H60H C606 H60J 109.6 . . ?
H60I C606 H60J 109.5 . . ?
C608 C607 C613 117.4(7) . . ?
C608 C607 C614 122.3(7) . . ?
C613 C607 C614 120.2(7) . . ?
C607 C608 C609 120.1(7) . . ?
C607 C608 H60K 119.9 . . ?
C609 C608 H60K 119.9 . . ?
C610 C609 C608 122.5(7) . . ?
C610 C609 H60L 118.7 . . ?
C608 C609 H60L 118.7 . . ?
C609 C610 C612 117.3(7) . . ?
C609 C610 C611 122.3(7) . . ?
C612 C610 C611 120.5(7) . . ?
C610 C611 H61A 109.7 . . ?
C610 C611 H61B 109.6 . . ?
H61A C611 H61B 109.5 . . ?
C610 C611 H61C 109.4 . . ?
H61A C611 H61C 109.3 . . ?
H61B C611 H61C 109.2 . . ?
C613 C612 C610 120.6(7) . . ?
C613 C612 H61D 119.7 . . ?
C610 C612 H61D 119.7 . . ?
C612 C613 C607 122.0(7) . . ?
C612 C613 H61E 119.0 . . ?
C607 C613 H61E 119.0 . . ?
C607 C614 H61F 109.6 . . ?
C607 C614 H61G 109.4 . . ?
H61F C614 H61G 109.4 . . ?
C607 C614 H61H 109.5 . . ?
H61F C614 H61H 109.6 . . ?
H61G C614 H61H 109.3 . . ?
C621 C615 C616 118.6(11) . . ?
C621 C615 C622 119.9(10) . . ?
C616 C615 C622 121.5(9) . . ?
C617 C616 C615 120.8(9) . . ?
C617 C616 H61I 119.6 . . ?
C615 C616 H61I 119.6 . . ?
C618 C617 C616 121.5(10) . . ?
C618 C617 H61J 119.3 . . ?
C616 C617 H61J 119.3 . . ?
C617 C618 C620 117.3(11) . . ?
C617 C618 C619 120.8(10) . . ?
C620 C618 C619 121.9(9) . . ?
C618 C619 H61K 109.6 . . ?
C618 C619 H61L 109.6 . . ?
H61K C619 H61L 109.5 . . ?
C618 C619 H61M 109.5 . . ?
H61K C619 H61M 109.3 . . ?
H61L C619 H61M 109.3 . . ?
C621 C620 C618 122.2(9) . . ?
C621 C620 H62A 118.9 . . ?
C618 C620 H62A 118.9 . . ?
C620 C621 C615 119.5(10) . . ?
C620 C621 H62B 120.2 . . ?
C615 C621 H62B 120.2 . . ?
C615 C622 H62C 109.8 . . ?
C615 C622 H62D 110.0 . . ?
H62C C622 H62D 109.4 . . ?
C615 C622 H62E 109.6 . . ?
H62C C622 H62E 108.9 . . ?
H62D C622 H62E 109.2 . . ?
C629 C623 C624 118.0(8) . . ?
C629 C623 C630 121.6(8) . . ?
C624 C623 C630 120.4(7) . . ?
C625 C624 C623 119.8(7) . . ?
C625 C624 H62F 120.1 . . ?
C623 C624 H62F 120.1 . . ?
C626 C625 C624 122.7(7) . . ?
C626 C625 H62G 118.6 . . ?
C624 C625 H62G 118.6 . . ?
C625 C626 C628 117.2(7) . . ?
C625 C626 C627 121.8(7) . . ?
C628 C626 C627 120.9(7) . . ?
C626 C627 H62H 109.7 . . ?
C626 C627 H62I 109.7 . . ?
H62H C627 H62I 109.5 . . ?
C626 C627 H62J 109.5 . . ?
H62H C627 H62J 109.2 . . ?
H62I C627 H62J 109.3 . . ?
C629 C628 C626 121.7(7) . . ?
C629 C628 H62K 119.2 . . ?
C626 C628 H62K 119.2 . . ?
C628 C629 C623 120.6(7) . . ?
C628 C629 H62L 119.7 . . ?
C623 C629 H62L 119.7 . . ?
C623 C630 H63A 109.6 . . ?
C623 C630 H63B 109.7 . . ?
H63A C630 H63B 108.9 . . ?
C623 C630 H63C 110.0 . . ?
H63A C630 H63C 109.3 . . ?
H63B C630 H63C 109.4 . . ?
C637 C631 C632 116.8(9) . . ?
C637 C631 C638 121.7(8) . . ?
C632 C631 C638 121.4(8) . . ?
C633 C632 C631 121.2(8) . . ?
C633 C632 H63D 119.4 . . ?
C631 C632 H63D 119.4 . . ?
C632 C633 C634 121.1(8) . . ?
C632 C633 H63E 119.4 . . ?
C634 C633 H63E 119.4 . . ?
C636 C634 C633 117.4(9) . . ?
C636 C634 C635 121.9(8) . . ?
C633 C634 C635 120.7(9) . . ?
C634 C635 H63F 109.8 . . ?
C634 C635 H63G 109.5 . . ?
H63F C635 H63G 109.4 . . ?
C634 C635 H63H 109.6 . . ?
H63F C635 H63H 109.4 . . ?
H63G C635 H63H 109.1 . . ?
C637 C636 C634 120.8(8) . . ?
C637 C636 H63I 119.6 . . ?
C634 C636 H63I 119.6 . . ?
C636 C637 C631 122.6(9) . . ?
C636 C637 H63J 118.7 . . ?
C631 C637 H63J 118.7 . . ?
C631 C638 H63K 109.7 . . ?
C631 C638 H63L 109.7 . . ?
H63K C638 H63L 109.2 . . ?
C631 C638 H63M 109.7 . . ?
H63K C638 H63M 109.3 . . ?
H63L C638 H63M 109.3 . . ?
C645 C639 C640 116.6(9) . . ?
C645 C639 C646 124.3(9) . . ?
C640 C639 C646 119.1(9) . . ?
C641 C640 C639 119.0(8) . . ?
C641 C640 H640 120.5 . . ?
C639 C640 H640 120.5 . . ?
C640 C641 C642 123.6(9) . . ?
C640 C641 H641 118.2 . . ?
C642 C641 H641 118.2 . . ?
C644 C642 C641 116.5(9) . . ?
C644 C642 C643 120.5(9) . . ?
C641 C642 C643 122.9(9) . . ?
C642 C643 H64A 109.5 . . ?
C642 C643 H64B 109.5 . . ?
H64A C643 H64B 109.5 . . ?
C642 C643 H64C 109.5 . . ?
H64A C643 H64C 109.5 . . ?
H64B C643 H64C 109.5 . . ?
C645 C644 C642 121.2(10) . . ?
C645 C644 H644 119.4 . . ?
C642 C644 H644 119.4 . . ?
C644 C645 C639 123.2(10) . . ?
C644 C645 H645 118.4 . . ?
C639 C645 H645 118.4 . . ?
C639 C646 H64D 109.5 . . ?
C639 C646 H64E 109.5 . . ?
H64D C646 H64E 109.5 . . ?
C639 C646 H64F 109.5 . . ?
H64D C646 H64F 109.5 . . ?
H64E C646 H64F 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1_1 C2_1 1.420(10) . ?
C1_1 C9_1 1.441(9) . ?
C1_1 C6_1 1.442(10) . ?
C2_1 C3_1 1.436(9) . ?
C2_1 C12_1 1.457(9) . ?
C3_1 C4_1 1.431(9) . ?
C3_1 C15_1 1.438(10) . ?
C4_1 C5_1 1.415(9) . ?
C4_1 C17_1 1.441(10) . ?
C5_1 C6_1 1.393(9) . ?
C5_1 C20_1 1.484(9) . ?
C6_1 C7_1 1.464(9) . ?
C7_1 C22_1 1.395(9) . ?
C7_1 C8_1 1.458(9) . ?
C8_1 C25_1 1.389(10) . ?
C8_1 C9_1 1.451(10) . ?
C9_1 C10_1 1.406(9) . ?
C10_1 C11_1 1.437(10) . ?
C10_1 C27_1 1.442(9) . ?
C11_1 C12_1 1.419(9) . ?
C11_1 C29_1 1.429(9) . ?
C12_1 C13_1 1.415(9) . ?
C13_1 C31_1 1.441(9) . ?
C13_1 C14_1 1.445(9) . ?
C14_1 C15_1 1.370(10) . ?
C14_1 C33_1 1.463(10) . ?
C15_1 C16_1 1.450(10) . ?
C16_1 C35_1 1.380(10) . ?
C16_1 C17_1 1.432(10) . ?
C17_1 C18_1 1.395(10) . ?
C18_1 C19_1 1.424(10) . ?
C18_1 C37_1 1.460(10) . ?
C19_1 C20_1 1.413(9) . ?
C19_1 C39_1 1.439(9) . ?
C20_1 C21_1 1.421(9) . ?
C21_1 C41_1 1.416(9) . ?
C21_1 C22_1 1.441(10) . ?
C22_1 C23_1 1.462(10) . ?
C23_1 C24_1 1.382(10) . ?
C23_1 C42_1 1.437(10) . ?
C24_1 C25_1 1.451(10) . ?
C24_1 C45_1 1.460(10) . ?
C25_1 C26_1 1.436(10) . ?
C26_1 C27_1 1.395(10) . ?
C26_1 C46_1 1.444(9) . ?
C27_1 C28_1 1.443(10) . ?
C28_1 C48_1 1.378(9) . ?
C28_1 C29_1 1.463(9) . ?
C29_1 C30_1 1.405(10) . ?
C30_1 C31_1 1.416(9) . ?
C30_1 C50_1 1.471(9) . ?
C31_1 C32_1 1.429(10) . ?
C32_1 C52_1 1.406(10) . ?
C32_1 C33_1 1.440(10) . ?
C33_1 C34_1 1.408(10) . ?
C34_1 C35_1 1.440(10) . ?
C34_1 C54_1 1.447(10) . ?
C35_1 C36_1 1.453(10) . ?
C36_1 C37_1 1.379(10) . ?
C36_1 C55_1 1.477(10) . ?
C37_1 C38_1 1.448(10) . ?
C38_1 C57_1 1.363(10) . ?
C38_1 C39_1 1.457(10) . ?
C39_1 C40_1 1.418(9) . ?
C40_1 C41_1 1.434(10) . ?
C40_1 C59_1 1.454(9) . ?
C41_1 C42_1 1.469(9) . ?
C42_1 C43_1 1.407(10) . ?
C43_1 C60_1 1.430(10) . ?
C43_1 C44_1 1.445(10) . ?
C44_1 C45_1 1.388(10) . ?
C44_1 C62_1 1.445(10) . ?
C45_1 C46_1 1.447(10) . ?
C46_1 C47_1 1.392(10) . ?
C47_1 C63_1 1.419(10) . ?
C47_1 C48_1 1.461(9) . ?
C48_1 C49_1 1.425(10) . ?
C49_1 C50_1 1.430(10) . ?
C49_1 C64_1 1.449(10) . ?
C50_1 C51_1 1.415(10) . ?
C51_1 C66_1 1.442(9) . ?
C51_1 C52_1 1.463(9) . ?
C52_1 C53_1 1.437(10) . ?
C53_1 C54_1 1.385(10) . ?
C53_1 C67_1 1.458(9) . ?
C54_1 C55_1 1.448(10) . ?
C55_1 C56_1 1.381(10) . ?
C56_1 C68_1 1.425(10) . ?
C56_1 C57_1 1.474(10) . ?
C57_1 C58_1 1.442(9) . ?
C58_1 C69_1 1.437(10) . ?
C58_1 C59_1 1.447(10) . ?
C59_1 C60_1 1.399(9) . ?
C60_1 C61_1 1.432(10) . ?
C61_1 C70_1 1.433(9) . ?
C61_1 C62_1 1.447(9) . ?
C62_1 C63_1 1.372(10) . ?
C63_1 C64_1 1.445(10) . ?
C64_1 C65_1 1.419(9) . ?
C65_1 C66_1 1.415(10) . ?
C65_1 C70_1 1.456(10) . ?
C66_1 C67_1 1.432(10) . ?
C67_1 C68_1 1.407(10) . ?
C68_1 C69_1 1.452(10) . ?
C69_1 C70_1 1.409(9) . ?
C1_2 C2_2 1.404(12) . ?
C1_2 C6_2 1.441(13) . ?
C1_2 C9_2 1.462(12) . ?
C2_2 C3_2 1.442(13) . ?
C2_2 C12_2 1.455(13) . ?
C3_2 C4_2 1.399(13) . ?
C3_2 C15_2 1.457(13) . ?
C4_2 C5_2 1.408(13) . ?
C4_2 C17_2 1.459(12) . ?
C5_2 C20_2 1.429(14) . ?
C5_2 C6_2 1.449(12) . ?
C6_2 C7_2 1.420(12) . ?
C7_2 C22_2 1.389(13) . ?
C7_2 C8_2 1.445(11) . ?
C8_2 C25_2 1.405(11) . ?
C8_2 C9_2 1.447(12) . ?
C9_2 C10_2 1.377(11) . ?
C10_2 C11_2 1.436(12) . ?
C10_2 C27_2 1.456(11) . ?
C11_2 C29_2 1.406(12) . ?
C11_2 C12_2 1.430(13) . ?
C12_2 C13_2 1.415(12) . ?
C13_2 C31_2 1.416(13) . ?
C13_2 C14_2 1.452(13) . ?
C14_2 C15_2 1.351(13) . ?
C14_2 C33_2 1.470(12) . ?
C15_2 C16_2 1.412(13) . ?
C16_2 C35_2 1.412(12) . ?
C16_2 C17_2 1.427(14) . ?
C17_2 C18_2 1.362(13) . ?
C18_2 C19_2 1.447(13) . ?
C18_2 C37_2 1.457(12) . ?
C19_2 C39_2 1.389(13) . ?
C19_2 C20_2 1.459(12) . ?
C20_2 C21_2 1.418(13) . ?
C21_2 C41_2 1.414(13) . ?
C21_2 C22_2 1.476(11) . ?
C22_2 C23_2 1.416(13) . ?
C23_2 C24_2 1.420(12) . ?
C23_2 C42_2 1.457(12) . ?
C24_2 C45_2 1.448(12) . ?
C24_2 C25_2 1.449(11) . ?
C25_2 C26_2 1.435(11) . ?
C26_2 C27_2 1.355(11) . ?
C26_2 C46_2 1.473(11) . ?
C27_2 C28_2 1.463(11) . ?
C28_2 C48_2 1.375(12) . ?
C28_2 C29_2 1.421(12) . ?
C29_2 C30_2 1.447(12) . ?
C30_2 C31_2 1.421(13) . ?
C30_2 C50_2 1.425(13) . ?
C31_2 C32_2 1.453(12) . ?
C32_2 C52_2 1.372(13) . ?
C32_2 C33_2 1.432(13) . ?
C33_2 C34_2 1.405(13) . ?
C34_2 C35_2 1.445(12) . ?
C34_2 C54_2 1.452(12) . ?
C35_2 C36_2 1.458(13) . ?
C36_2 C37_2 1.391(12) . ?
C36_2 C55_2 1.459(11) . ?
C37_2 C38_2 1.439(13) . ?
C38_2 C57_2 1.388(12) . ?
C38_2 C39_2 1.483(12) . ?
C39_2 C40_2 1.422(13) . ?
C40_2 C41_2 1.453(13) . ?
C40_2 C59_2 1.460(13) . ?
C41_2 C42_2 1.465(13) . ?
C42_2 C43_2 1.374(13) . ?
C43_2 C44_2 1.429(13) . ?
C43_2 C60_2 1.438(13) . ?
C44_2 C45_2 1.407(12) . ?
C44_2 C62_2 1.421(13) . ?
C45_2 C46_2 1.433(12) . ?
C46_2 C47_2 1.390(12) . ?
C47_2 C48_2 1.427(13) . ?
C47_2 C63_2 1.458(11) . ?
C48_2 C49_2 1.485(11) . ?
C49_2 C64_2 1.381(13) . ?
C49_2 C50_2 1.414(13) . ?
C50_2 C51_2 1.453(11) . ?
C51_2 C66_2 1.404(13) . ?
C51_2 C52_2 1.433(12) . ?
C52_2 C53_2 1.486(12) . ?
C53_2 C54_2 1.369(11) . ?
C53_2 C67_2 1.445(13) . ?
C54_2 C55_2 1.451(12) . ?
C55_2 C56_2 1.394(12) . ?
C56_2 C57_2 1.455(12) . ?
C56_2 C68_2 1.474(11) . ?
C57_2 C58_2 1.428(12) . ?
C58_2 C69_2 1.421(13) . ?
C58_2 C59_2 1.434(13) . ?
C59_2 C60_2 1.437(12) . ?
C60_2 C61_2 1.393(13) . ?
C61_2 C70_2 1.418(13) . ?
C61_2 C62_2 1.459(12) . ?
C62_2 C63_2 1.329(13) . ?
C63_2 C64_2 1.485(13) . ?
C64_2 C65_2 1.438(12) . ?
C65_2 C70_2 1.422(13) . ?
C65_2 C66_2 1.436(13) . ?
C66_2 C67_2 1.452(11) . ?
C67_2 C68_2 1.385(13) . ?
C68_2 C69_2 1.454(13) . ?
C69_2 C70_2 1.444(12) . ?
C1_3 C2_3 1.406(10) . ?
C1_3 C6_3 1.449(11) . ?
C1_3 C9_3 1.453(11) . ?
C2_3 C3_3 1.397(11) . ?
C2_3 C12_3 1.470(11) . ?
C3_3 C4_3 1.436(11) . ?
C3_3 C15_3 1.459(10) . ?
C4_3 C5_3 1.418(10) . ?
C4_3 C17_3 1.444(11) . ?
C5_3 C6_3 1.403(11) . ?
C5_3 C20_3 1.478(11) . ?
C6_3 C7_3 1.432(10) . ?
C7_3 C22_3 1.401(10) . ?
C7_3 C8_3 1.449(10) . ?
C8_3 C25_3 1.370(11) . ?
C8_3 C9_3 1.456(10) . ?
C9_3 C10_3 1.381(11) . ?
C10_3 C27_3 1.433(11) . ?
C10_3 C11_3 1.455(10) . ?
C11_3 C12_3 1.423(11) . ?
C11_3 C29_3 1.431(11) . ?
C12_3 C13_3 1.416(10) . ?
C13_3 C31_3 1.443(11) . ?
C13_3 C14_3 1.455(11) . ?
C14_3 C15_3 1.373(11) . ?
C14_3 C33_3 1.435(10) . ?
C15_3 C16_3 1.458(11) . ?
C16_3 C35_3 1.387(10) . ?
C16_3 C17_3 1.439(10) . ?
C17_3 C18_3 1.398(11) . ?
C18_3 C37_3 1.429(11) . ?
C18_3 C19_3 1.434(10) . ?
C19_3 C20_3 1.424(10) . ?
C19_3 C39_3 1.432(11) . ?
C20_3 C21_3 1.398(10) . ?
C21_3 C41_3 1.430(10) . ?
C21_3 C22_3 1.467(10) . ?
C22_3 C23_3 1.422(10) . ?
C23_3 C24_3 1.394(10) . ?
C23_3 C42_3 1.468(10) . ?
C24_3 C45_3 1.442(11) . ?
C24_3 C25_3 1.464(10) . ?
C25_3 C26_3 1.451(11) . ?
C26_3 C27_3 1.404(10) . ?
C26_3 C46_3 1.450(11) . ?
C27_3 C28_3 1.448(11) . ?
C28_3 C48_3 1.358(12) . ?
C28_3 C29_3 1.449(11) . ?
C29_3 C30_3 1.413(10) . ?
C30_3 C31_3 1.421(11) . ?
C30_3 C50_3 1.476(11) . ?
C31_3 C32_3 1.438(10) . ?
C32_3 C52_3 1.396(10) . ?
C32_3 C33_3 1.453(10) . ?
C33_3 C34_3 1.405(10) . ?
C34_3 C35_3 1.445(10) . ?
C34_3 C54_3 1.451(10) . ?
C35_3 C36_3 1.458(10) . ?
C36_3 C37_3 1.407(10) . ?
C36_3 C55_3 1.444(10) . ?
C37_3 C38_3 1.470(10) . ?
C38_3 C57_3 1.363(11) . ?
C38_3 C39_3 1.459(10) . ?
C39_3 C40_3 1.394(10) . ?
C40_3 C41_3 1.429(10) . ?
C40_3 C59_3 1.482(11) . ?
C41_3 C42_3 1.435(10) . ?
C42_3 C43_3 1.380(11) . ?
C43_3 C60_3 1.453(10) . ?
C43_3 C44_3 1.458(10) . ?
C44_3 C45_3 1.377(10) . ?
C44_3 C62_3 1.447(11) . ?
C45_3 C46_3 1.477(10) . ?
C46_3 C47_3 1.383(11) . ?
C47_3 C48_3 1.449(11) . ?
C47_3 C63_3 1.452(11) . ?
C48_3 C49_3 1.440(11) . ?
C49_3 C50_3 1.401(10) . ?
C49_3 C64_3 1.430(11) . ?
C50_3 C51_3 1.437(10) . ?
C51_3 C66_3 1.415(11) . ?
C51_3 C52_3 1.434(10) . ?
C52_3 C53_3 1.448(10) . ?
C53_3 C54_3 1.377(10) . ?
C53_3 C67_3 1.455(10) . ?
C54_3 C55_3 1.460(9) . ?
C55_3 C56_3 1.390(10) . ?
C56_3 C68_3 1.439(10) . ?
C56_3 C57_3 1.455(10) . ?
C57_3 C58_3 1.455(10) . ?
C58_3 C59_3 1.410(10) . ?
C58_3 C69_3 1.426(11) . ?
C59_3 C60_3 1.421(10) . ?
C60_3 C61_3 1.425(11) . ?
C61_3 C70_3 1.425(10) . ?
C61_3 C62_3 1.441(11) . ?
C62_3 C63_3 1.391(11) . ?
C63_3 C64_3 1.450(11) . ?
C64_3 C65_3 1.414(11) . ?
C65_3 C66_3 1.403(10) . ?
C65_3 C70_3 1.487(11) . ?
C66_3 C67_3 1.465(11) . ?
C67_3 C68_3 1.393(10) . ?
C68_3 C69_3 1.446(10) . ?
C69_3 C70_3 1.406(10) . ?
C1_4 C2_4 1.414(9) . ?
C1_4 C6_4 1.427(10) . ?
C1_4 C9_4 1.445(10) . ?
C2_4 C3_4 1.432(9) . ?
C2_4 C12_4 1.468(9) . ?
C3_4 C4_4 1.425(9) . ?
C3_4 C15_4 1.450(10) . ?
C4_4 C5_4 1.420(10) . ?
C4_4 C17_4 1.435(10) . ?
C5_4 C6_4 1.421(10) . ?
C5_4 C20_4 1.473(10) . ?
C6_4 C7_4 1.432(10) . ?
C7_4 C22_4 1.381(10) . ?
C7_4 C8_4 1.460(10) . ?
C8_4 C25_4 1.366(10) . ?
C8_4 C9_4 1.441(10) . ?
C9_4 C10_4 1.385(10) . ?
C10_4 C11_4 1.433(9) . ?
C10_4 C27_4 1.456(10) . ?
C11_4 C12_4 1.409(10) . ?
C11_4 C29_4 1.459(9) . ?
C12_4 C13_4 1.429(10) . ?
C13_4 C14_4 1.431(10) . ?
C13_4 C31_4 1.441(10) . ?
C14_4 C15_4 1.371(10) . ?
C14_4 C33_4 1.459(9) . ?
C15_4 C16_4 1.448(10) . ?
C16_4 C35_4 1.389(10) . ?
C16_4 C17_4 1.435(10) . ?
C17_4 C18_4 1.392(9) . ?
C18_4 C19_4 1.437(10) . ?
C18_4 C37_4 1.445(10) . ?
C19_4 C20_4 1.403(10) . ?
C19_4 C39_4 1.443(9) . ?
C20_4 C21_4 1.420(10) . ?
C21_4 C22_4 1.423(10) . ?
C21_4 C41_4 1.463(10) . ?
C22_4 C23_4 1.470(10) . ?
C23_4 C24_4 1.369(10) . ?
C23_4 C42_4 1.453(10) . ?
C24_4 C45_4 1.427(10) . ?
C24_4 C25_4 1.491(10) . ?
C25_4 C26_4 1.444(10) . ?
C26_4 C27_4 1.392(10) . ?
C26_4 C46_4 1.453(10) . ?
C27_4 C28_4 1.442(10) . ?
C28_4 C48_4 1.398(10) . ?
C28_4 C29_4 1.445(10) . ?
C29_4 C30_4 1.420(10) . ?
C30_4 C31_4 1.405(10) . ?
C30_4 C50_4 1.476(10) . ?
C31_4 C32_4 1.441(10) . ?
C32_4 C52_4 1.384(10) . ?
C32_4 C33_4 1.454(10) . ?
C33_4 C34_4 1.388(10) . ?
C34_4 C54_4 1.455(10) . ?
C34_4 C35_4 1.458(10) . ?
C35_4 C36_4 1.455(10) . ?
C36_4 C37_4 1.389(10) . ?
C36_4 C55_4 1.453(10) . ?
C37_4 C38_4 1.456(10) . ?
C38_4 C57_4 1.376(10) . ?
C38_4 C39_4 1.446(10) . ?
C39_4 C40_4 1.433(10) . ?
C40_4 C41_4 1.415(10) . ?
C40_4 C59_4 1.445(10) . ?
C41_4 C42_4 1.427(10) . ?
C42_4 C43_4 1.404(10) . ?
C43_4 C44_4 1.436(10) . ?
C43_4 C60_4 1.465(10) . ?
C44_4 C45_4 1.404(10) . ?
C44_4 C62_4 1.433(10) . ?
C45_4 C46_4 1.441(10) . ?
C46_4 C47_4 1.410(10) . ?
C47_4 C63_4 1.445(10) . ?
C47_4 C48_4 1.455(10) . ?
C48_4 C49_4 1.435(10) . ?
C49_4 C50_4 1.417(10) . ?
C49_4 C64_4 1.446(9) . ?
C50_4 C51_4 1.419(10) . ?
C51_4 C66_4 1.441(10) . ?
C51_4 C52_4 1.447(10) . ?
C52_4 C53_4 1.437(10) . ?
C53_4 C54_4 1.389(11) . ?
C53_4 C67_4 1.438(11) . ?
C54_4 C55_4 1.434(11) . ?
C55_4 C56_4 1.411(10) . ?
C56_4 C68_4 1.425(10) . ?
C56_4 C57_4 1.436(10) . ?
C57_4 C58_4 1.445(10) . ?
C58_4 C69_4 1.427(10) . ?
C58_4 C59_4 1.441(10) . ?
C59_4 C60_4 1.429(10) . ?
C60_4 C61_4 1.416(9) . ?
C61_4 C70_4 1.382(9) . ?
C61_4 C62_4 1.486(10) . ?
C62_4 C63_4 1.370(10) . ?
C63_4 C64_4 1.460(10) . ?
C64_4 C65_4 1.416(10) . ?
C65_4 C66_4 1.391(10) . ?
C65_4 C70_4 1.468(10) . ?
C66_4 C67_4 1.463(11) . ?
C67_4 C68_4 1.388(10) . ?
C68_4 C69_4 1.434(10) . ?
C69_4 C70_4 1.414(10) . ?
C1_5 C2_5 1.4208 . ?
C1_5 C6_5 1.4382 . ?
C1_5 C9_5 1.4504 . ?
C2_5 C3_5 1.4268 . ?
C2_5 C12_5 1.4531 . ?
C3_5 C4_5 1.4354 . ?
C3_5 C15_5 1.4405 . ?
C4_5 C5_5 1.4176 . ?
C4_5 C17_5 1.4458 . ?
C5_5 C6_5 1.4232 . ?
C5_5 C20_5 1.4610 . ?
C6_5 C7_5 1.4359 . ?
C7_5 C22_5 1.3872 . ?
C7_5 C8_5 1.4595 . ?
C8_5 C25_5 1.3933 . ?
C8_5 C9_5 1.4457 . ?
C9_5 C10_5 1.3862 . ?
C10_5 C11_5 1.4421 . ?
C10_5 C27_5 1.4519 . ?
C11_5 C12_5 1.4175 . ?
C11_5 C29_5 1.4334 . ?
C12_5 C13_5 1.4219 . ?
C13_5 C14_5 1.4406 . ?
C13_5 C31_5 1.4428 . ?
C14_5 C15_5 1.3735 . ?
C14_5 C33_5 1.4568 . ?
C15_5 C16_5 1.4611 . ?
C16_5 C35_5 1.3818 . ?
C16_5 C17_5 1.4503 . ?
C17_5 C18_5 1.3904 . ?
C18_5 C37_5 1.4297 . ?
C18_5 C19_5 1.4450 . ?
C19_5 C20_5 1.4161 . ?
C19_5 C39_5 1.4362 . ?
C20_5 C21_5 1.4229 . ?
C21_5 C41_5 1.4215 . ?
C21_5 C22_5 1.4494 . ?
C22_5 C23_5 1.4515 . ?
C23_5 C24_5 1.4068 . ?
C23_5 C42_5 1.4528 . ?
C24_5 C45_5 1.4516 . ?
C24_5 C25_5 1.4601 . ?
C25_5 C26_5 1.4420 . ?
C26_5 C27_5 1.3884 . ?
C26_5 C46_5 1.4769 . ?
C27_5 C28_5 1.4415 . ?
C28_5 C48_5 1.3812 . ?
C28_5 C29_5 1.4537 . ?
C29_5 C30_5 1.4143 . ?
C30_5 C31_5 1.4227 . ?
C30_5 C50_5 1.4578 . ?
C31_5 C32_5 1.4431 . ?
C32_5 C52_5 1.3805 . ?
C32_5 C33_5 1.4571 . ?
C33_5 C34_5 1.3935 . ?
C34_5 C54_5 1.4378 . ?
C34_5 C35_5 1.4607 . ?
C35_5 C36_5 1.4556 . ?
C36_5 C37_5 1.3915 . ?
C36_5 C55_5 1.4481 . ?
C37_5 C38_5 1.4442 . ?
C38_5 C57_5 1.3675 . ?
C38_5 C39_5 1.4604 . ?
C39_5 C40_5 1.3973 . ?
C40_5 C41_5 1.4303 . ?
C40_5 C59_5 1.4638 . ?
C41_5 C42_5 1.4507 . ?
C42_5 C43_5 1.3790 . ?
C43_5 C44_5 1.4500 . ?
C43_5 C60_5 1.4560 . ?
C44_5 C45_5 1.3880 . ?
C44_5 C62_5 1.4473 . ?
C45_5 C46_5 1.4501 . ?
C46_5 C47_5 1.3816 . ?
C47_5 C48_5 1.4441 . ?
C47_5 C63_5 1.4575 . ?
C48_5 C49_5 1.4494 . ?
C49_5 C50_5 1.4204 . ?
C49_5 C64_5 1.4426 . ?
C50_5 C51_5 1.4116 . ?
C51_5 C66_5 1.4406 . ?
C51_5 C52_5 1.4433 . ?
C52_5 C53_5 1.4431 . ?
C53_5 C54_5 1.3873 . ?
C53_5 C67_5 1.4588 . ?
C54_5 C55_5 1.4469 . ?
C55_5 C56_5 1.3879 . ?
C56_5 C57_5 1.4436 . ?
C56_5 C68_5 1.4518 . ?
C57_5 C58_5 1.4477 . ?
C58_5 C59_5 1.4215 . ?
C58_5 C69_5 1.4330 . ?
C59_5 C60_5 1.4245 . ?
C60_5 C61_5 1.4287 . ?
C61_5 C70_5 1.4200 . ?
C61_5 C62_5 1.4575 . ?
C62_5 C63_5 1.3857 . ?
C63_5 C64_5 1.4344 . ?
C64_5 C65_5 1.4191 . ?
C65_5 C66_5 1.4193 . ?
C65_5 C70_5 1.4599 . ?
C66_5 C67_5 1.4374 . ?
C67_5 C68_5 1.3857 . ?
C68_5 C69_5 1.4477 . ?
C69_5 C70_5 1.4129 . ?
C1_6 C2_6 1.407(10) . ?
C1_6 C6_6 1.426(10) . ?
C1_6 C9_6 1.446(9) . ?
C2_6 C3_6 1.430(9) . ?
C2_6 C12_6 1.460(10) . ?
C3_6 C4_6 1.431(9) . ?
C3_6 C15_6 1.442(10) . ?
C4_6 C5_6 1.406(10) . ?
C4_6 C17_6 1.458(10) . ?
C5_6 C6_6 1.429(10) . ?
C5_6 C20_6 1.459(10) . ?
C6_6 C7_6 1.446(10) . ?
C7_6 C22_6 1.398(10) . ?
C7_6 C8_6 1.445(10) . ?
C8_6 C25_6 1.369(10) . ?
C8_6 C9_6 1.454(10) . ?
C9_6 C10_6 1.381(10) . ?
C10_6 C11_6 1.438(10) . ?
C10_6 C27_6 1.458(9) . ?
C11_6 C12_6 1.419(10) . ?
C11_6 C29_6 1.454(10) . ?
C12_6 C13_6 1.414(10) . ?
C13_6 C31_6 1.433(10) . ?
C13_6 C14_6 1.449(10) . ?
C14_6 C15_6 1.394(10) . ?
C14_6 C33_6 1.434(11) . ?
C15_6 C16_6 1.433(10) . ?
C16_6 C35_6 1.382(11) . ?
C16_6 C17_6 1.451(10) . ?
C17_6 C18_6 1.397(10) . ?
C18_6 C19_6 1.424(10) . ?
C18_6 C37_6 1.445(10) . ?
C19_6 C20_6 1.425(10) . ?
C19_6 C39_6 1.431(10) . ?
C20_6 C21_6 1.415(10) . ?
C21_6 C41_6 1.431(10) . ?
C21_6 C22_6 1.433(11) . ?
C22_6 C23_6 1.457(9) . ?
C23_6 C24_6 1.398(10) . ?
C23_6 C42_6 1.440(11) . ?
C24_6 C25_6 1.437(11) . ?
C24_6 C45_6 1.458(10) . ?
C25_6 C26_6 1.466(10) . ?
C26_6 C27_6 1.403(10) . ?
C26_6 C46_6 1.431(10) . ?
C27_6 C28_6 1.436(10) . ?
C28_6 C48_6 1.394(10) . ?
C28_6 C29_6 1.442(10) . ?
C29_6 C30_6 1.415(11) . ?
C30_6 C31_6 1.421(10) . ?
C30_6 C50_6 1.446(10) . ?
C31_6 C32_6 1.459(11) . ?
C32_6 C52_6 1.381(11) . ?
C32_6 C33_6 1.453(10) . ?
C33_6 C34_6 1.400(11) . ?
C34_6 C35_6 1.458(11) . ?
C34_6 C54_6 1.459(11) . ?
C35_6 C36_6 1.444(11) . ?
C36_6 C37_6 1.388(11) . ?
C36_6 C55_6 1.462(10) . ?
C37_6 C38_6 1.448(10) . ?
C38_6 C57_6 1.395(10) . ?
C38_6 C39_6 1.445(11) . ?
C39_6 C40_6 1.413(10) . ?
C40_6 C41_6 1.411(11) . ?
C40_6 C59_6 1.476(10) . ?
C41_6 C42_6 1.476(10) . ?
C42_6 C43_6 1.362(10) . ?
C43_6 C60_6 1.443(10) . ?
C43_6 C44_6 1.465(10) . ?
C44_6 C45_6 1.395(10) . ?
C44_6 C62_6 1.449(10) . ?
C45_6 C46_6 1.443(10) . ?
C46_6 C47_6 1.400(10) . ?
C47_6 C48_6 1.428(10) . ?
C47_6 C63_6 1.450(10) . ?
C48_6 C49_6 1.442(10) . ?
C49_6 C50_6 1.407(10) . ?
C49_6 C64_6 1.417(10) . ?
C50_6 C51_6 1.438(10) . ?
C51_6 C66_6 1.422(10) . ?
C51_6 C52_6 1.438(10) . ?
C52_6 C53_6 1.467(11) . ?
C53_6 C54_6 1.400(10) . ?
C53_6 C67_6 1.442(11) . ?
C54_6 C55_6 1.453(11) . ?
C55_6 C56_6 1.386(11) . ?
C56_6 C57_6 1.441(11) . ?
C56_6 C68_6 1.453(10) . ?
C57_6 C58_6 1.458(10) . ?
C58_6 C59_6 1.420(10) . ?
C58_6 C69_6 1.433(10) . ?
C59_6 C60_6 1.419(10) . ?
C60_6 C61_6 1.438(10) . ?
C61_6 C70_6 1.406(10) . ?
C61_6 C62_6 1.447(10) . ?
C62_6 C63_6 1.377(10) . ?
C63_6 C64_6 1.456(9) . ?
C64_6 C65_6 1.433(10) . ?
C65_6 C66_6 1.409(10) . ?
C65_6 C70_6 1.458(10) . ?
C66_6 C67_6 1.458(10) . ?
C67_6 C68_6 1.395(11) . ?
C68_6 C69_6 1.421(10) . ?
C69_6 C70_6 1.426(10) . ?
C1_7 C6_7 1.427(11) . ?
C1_7 C2_7 1.429(11) . ?
C1_7 C9_7 1.435(11) . ?
C2_7 C3_7 1.417(10) . ?
C2_7 C12_7 1.498(11) . ?
C3_7 C15_7 1.427(11) . ?
C3_7 C4_7 1.428(10) . ?
C4_7 C5_7 1.444(11) . ?
C4_7 C17_7 1.454(11) . ?
C5_7 C6_7 1.422(10) . ?
C5_7 C20_7 1.456(10) . ?
C6_7 C7_7 1.420(11) . ?
C7_7 C22_7 1.365(11) . ?
C7_7 C8_7 1.496(11) . ?
C8_7 C25_7 1.385(11) . ?
C8_7 C9_7 1.424(11) . ?
C9_7 C10_7 1.374(11) . ?
C10_7 C11_7 1.449(11) . ?
C10_7 C27_7 1.459(11) . ?
C11_7 C12_7 1.426(10) . ?
C11_7 C29_7 1.431(10) . ?
C12_7 C13_7 1.395(11) . ?
C13_7 C31_7 1.440(11) . ?
C13_7 C14_7 1.445(10) . ?
C14_7 C15_7 1.379(10) . ?
C14_7 C33_7 1.431(11) . ?
C15_7 C16_7 1.487(11) . ?
C16_7 C35_7 1.384(12) . ?
C16_7 C17_7 1.431(11) . ?
C17_7 C18_7 1.365(10) . ?
C18_7 C19_7 1.420(10) . ?
C18_7 C37_7 1.480(11) . ?
C19_7 C20_7 1.405(10) . ?
C19_7 C39_7 1.440(10) . ?
C20_7 C21_7 1.431(11) . ?
C21_7 C41_7 1.414(10) . ?
C21_7 C22_7 1.460(10) . ?
C22_7 C23_7 1.442(11) . ?
C23_7 C24_7 1.410(12) . ?
C23_7 C42_7 1.474(12) . ?
C24_7 C25_7 1.409(11) . ?
C24_7 C45_7 1.449(11) . ?
C25_7 C26_7 1.481(11) . ?
C26_7 C27_7 1.366(11) . ?
C26_7 C46_7 1.439(11) . ?
C27_7 C28_7 1.461(11) . ?
C28_7 C48_7 1.389(10) . ?
C28_7 C29_7 1.432(11) . ?
C29_7 C30_7 1.420(10) . ?
C30_7 C31_7 1.406(10) . ?
C30_7 C50_7 1.471(10) . ?
C31_7 C32_7 1.437(11) . ?
C32_7 C52_7 1.367(11) . ?
C32_7 C33_7 1.458(11) . ?
C33_7 C34_7 1.366(11) . ?
C34_7 C35_7 1.451(11) . ?
C34_7 C54_7 1.453(11) . ?
C35_7 C36_7 1.463(11) . ?
C36_7 C37_7 1.375(11) . ?
C36_7 C55_7 1.457(11) . ?
C37_7 C38_7 1.432(11) . ?
C38_7 C57_7 1.371(10) . ?
C38_7 C39_7 1.458(10) . ?
C39_7 C40_7 1.399(10) . ?
C40_7 C41_7 1.416(10) . ?
C40_7 C59_7 1.479(10) . ?
C41_7 C42_7 1.438(11) . ?
C42_7 C43_7 1.385(11) . ?
C43_7 C60_7 1.421(11) . ?
C43_7 C44_7 1.474(11) . ?
C44_7 C45_7 1.360(11) . ?
C44_7 C62_7 1.422(12) . ?
C45_7 C46_7 1.490(11) . ?
C46_7 C47_7 1.381(11) . ?
C47_7 C48_7 1.431(10) . ?
C47_7 C63_7 1.439(10) . ?
C48_7 C49_7 1.447(11) . ?
C49_7 C64_7 1.415(11) . ?
C49_7 C50_7 1.426(11) . ?
C50_7 C51_7 1.409(11) . ?
C51_7 C52_7 1.435(11) . ?
C51_7 C66_7 1.445(11) . ?
C52_7 C53_7 1.464(11) . ?
C53_7 C67_7 1.401(11) . ?
C53_7 C54_7 1.413(11) . ?
C54_7 C55_7 1.441(11) . ?
C55_7 C56_7 1.403(10) . ?
C56_7 C68_7 1.421(10) . ?
C56_7 C57_7 1.448(10) . ?
C57_7 C58_7 1.450(11) . ?
C58_7 C59_7 1.404(11) . ?
C58_7 C69_7 1.472(11) . ?
C59_7 C60_7 1.426(10) . ?
C60_7 C61_7 1.479(11) . ?
C61_7 C70_7 1.372(11) . ?
C61_7 C62_7 1.457(11) . ?
C62_7 C63_7 1.374(11) . ?
C63_7 C64_7 1.465(11) . ?
C64_7 C65_7 1.407(11) . ?
C65_7 C66_7 1.426(12) . ?
C65_7 C70_7 1.480(11) . ?
C66_7 C67_7 1.455(11) . ?
C67_7 C68_7 1.395(10) . ?
C68_7 C69_7 1.477(11) . ?
C69_7 C70_7 1.402(10) . ?
C1_8 C2_8 1.4213 . ?
C1_8 C6_8 1.4381 . ?
C1_8 C9_8 1.4502 . ?
C2_8 C3_8 1.4266 . ?
C2_8 C12_8 1.4538 . ?
C3_8 C4_8 1.4356 . ?
C3_8 C15_8 1.4407 . ?
C4_8 C5_8 1.4181 . ?
C4_8 C17_8 1.4452 . ?
C5_8 C6_8 1.4232 . ?
C5_8 C20_8 1.4619 . ?
C6_8 C7_8 1.4354 . ?
C7_8 C22_8 1.3870 . ?
C7_8 C8_8 1.4592 . ?
C8_8 C25_8 1.3925 . ?
C8_8 C9_8 1.4460 . ?
C9_8 C10_8 1.3859 . ?
C10_8 C11_8 1.4424 . ?
C10_8 C27_8 1.4519 . ?
C11_8 C12_8 1.4176 . ?
C11_8 C29_8 1.4332 . ?
C12_8 C13_8 1.4210 . ?
C13_8 C14_8 1.4410 . ?
C13_8 C31_8 1.4436 . ?
C14_8 C15_8 1.3732 . ?
C14_8 C33_8 1.4563 . ?
C15_8 C16_8 1.4609 . ?
C16_8 C35_8 1.3814 . ?
C16_8 C17_8 1.4505 . ?
C17_8 C18_8 1.3902 . ?
C18_8 C37_8 1.4298 . ?
C18_8 C19_8 1.4454 . ?
C19_8 C20_8 1.4149 . ?
C19_8 C39_8 1.4365 . ?
C20_8 C21_8 1.4236 . ?
C21_8 C41_8 1.4214 . ?
C21_8 C22_8 1.4498 . ?
C22_8 C23_8 1.4510 . ?
C23_8 C24_8 1.4073 . ?
C23_8 C42_8 1.4531 . ?
C24_8 C45_8 1.4528 . ?
C24_8 C25_8 1.4601 . ?
C25_8 C26_8 1.4422 . ?
C26_8 C27_8 1.3890 . ?
C26_8 C46_8 1.4768 . ?
C27_8 C28_8 1.4417 . ?
C28_8 C48_8 1.3808 . ?
C28_8 C29_8 1.4533 . ?
C29_8 C30_8 1.4137 . ?
C30_8 C31_8 1.4232 . ?
C30_8 C50_8 1.4581 . ?
C31_8 C32_8 1.4433 . ?
C32_8 C52_8 1.3809 . ?
C32_8 C33_8 1.4569 . ?
C33_8 C34_8 1.3945 . ?
C34_8 C54_8 1.4379 . ?
C34_8 C35_8 1.4610 . ?
C35_8 C36_8 1.4562 . ?
C36_8 C37_8 1.3916 . ?
C36_8 C55_8 1.4474 . ?
C37_8 C38_8 1.4446 . ?
C38_8 C57_8 1.3671 . ?
C38_8 C39_8 1.4593 . ?
C39_8 C40_8 1.3976 . ?
C40_8 C41_8 1.4309 . ?
C40_8 C59_8 1.4637 . ?
C41_8 C42_8 1.4512 . ?
C42_8 C43_8 1.3780 . ?
C43_8 C44_8 1.4495 . ?
C43_8 C60_8 1.4565 . ?
C44_8 C45_8 1.3879 . ?
C44_8 C62_8 1.4476 . ?
C45_8 C46_8 1.4495 . ?
C46_8 C47_8 1.3817 . ?
C47_8 C48_8 1.4444 . ?
C47_8 C63_8 1.4573 . ?
C48_8 C49_8 1.4501 . ?
C49_8 C50_8 1.4199 . ?
C49_8 C64_8 1.4426 . ?
C50_8 C51_8 1.4113 . ?
C51_8 C66_8 1.4404 . ?
C51_8 C52_8 1.4440 . ?
C52_8 C53_8 1.4427 . ?
C53_8 C54_8 1.3866 . ?
C53_8 C67_8 1.4596 . ?
C54_8 C55_8 1.4464 . ?
C55_8 C56_8 1.3886 . ?
C56_8 C57_8 1.4442 . ?
C56_8 C68_8 1.4515 . ?
C57_8 C58_8 1.4478 . ?
C58_8 C59_8 1.4213 . ?
C58_8 C69_8 1.4314 . ?
C59_8 C60_8 1.4251 . ?
C60_8 C61_8 1.4275 . ?
C61_8 C70_8 1.4217 . ?
C61_8 C62_8 1.4566 . ?
C62_8 C63_8 1.3858 . ?
C63_8 C64_8 1.4344 . ?
C64_8 C65_8 1.4203 . ?
C65_8 C66_8 1.4197 . ?
C65_8 C70_8 1.4587 . ?
C66_8 C67_8 1.4368 . ?
C67_8 C68_8 1.3850 . ?
C68_8 C69_8 1.4486 . ?
C69_8 C70_8 1.4130 . ?
C1_9 C2_9 1.4205 . ?
C1_9 C6_9 1.4383 . ?
C1_9 C9_9 1.4513 . ?
C2_9 C3_9 1.4269 . ?
C2_9 C12_9 1.4533 . ?
C3_9 C4_9 1.4350 . ?
C3_9 C15_9 1.4409 . ?
C4_9 C5_9 1.4174 . ?
C4_9 C17_9 1.4462 . ?
C5_9 C6_9 1.4234 . ?
C5_9 C20_9 1.4614 . ?
C6_9 C7_9 1.4354 . ?
C7_9 C22_9 1.3871 . ?
C7_9 C8_9 1.4592 . ?
C8_9 C25_9 1.3934 . ?
C8_9 C9_9 1.4459 . ?
C9_9 C10_9 1.3855 . ?
C10_9 C11_9 1.4424 . ?
C10_9 C27_9 1.4519 . ?
C11_9 C12_9 1.4182 . ?
C11_9 C29_9 1.4342 . ?
C12_9 C13_9 1.4214 . ?
C13_9 C14_9 1.4414 . ?
C13_9 C31_9 1.4429 . ?
C14_9 C15_9 1.3736 . ?
C14_9 C33_9 1.4565 . ?
C15_9 C16_9 1.4605 . ?
C16_9 C35_9 1.3826 . ?
C16_9 C17_9 1.4501 . ?
C17_9 C18_9 1.3904 . ?
C18_9 C37_9 1.4303 . ?
C18_9 C19_9 1.4444 . ?
C19_9 C20_9 1.4159 . ?
C19_9 C39_9 1.4359 . ?
C20_9 C21_9 1.4233 . ?
C21_9 C41_9 1.4208 . ?
C21_9 C22_9 1.4491 . ?
C22_9 C23_9 1.4518 . ?
C23_9 C24_9 1.4073 . ?
C23_9 C42_9 1.4531 . ?
C24_9 C45_9 1.4524 . ?
C24_9 C25_9 1.4586 . ?
C25_9 C26_9 1.4422 . ?
C26_9 C27_9 1.3882 . ?
C26_9 C46_9 1.4765 . ?
C27_9 C28_9 1.4407 . ?
C28_9 C48_9 1.3818 . ?
C28_9 C29_9 1.4538 . ?
C29_9 C30_9 1.4135 . ?
C30_9 C31_9 1.4229 . ?
C30_9 C50_9 1.4582 . ?
C31_9 C32_9 1.4437 . ?
C32_9 C52_9 1.3806 . ?
C32_9 C33_9 1.4568 . ?
C33_9 C34_9 1.3934 . ?
C34_9 C54_9 1.4378 . ?
C34_9 C35_9 1.4605 . ?
C35_9 C36_9 1.4558 . ?
C36_9 C37_9 1.3916 . ?
C36_9 C55_9 1.4479 . ?
C37_9 C38_9 1.4444 . ?
C38_9 C57_9 1.3675 . ?
C38_9 C39_9 1.4589 . ?
C39_9 C40_9 1.3970 . ?
C40_9 C41_9 1.4312 . ?
C40_9 C59_9 1.4639 . ?
C41_9 C42_9 1.4511 . ?
C42_9 C43_9 1.3782 . ?
C43_9 C44_9 1.4507 . ?
C43_9 C60_9 1.4559 . ?
C44_9 C45_9 1.3875 . ?
C44_9 C62_9 1.4475 . ?
C45_9 C46_9 1.4501 . ?
C46_9 C47_9 1.3820 . ?
C47_9 C48_9 1.4440 . ?
C47_9 C63_9 1.4575 . ?
C48_9 C49_9 1.4500 . ?
C49_9 C50_9 1.4197 . ?
C49_9 C64_9 1.4428 . ?
C50_9 C51_9 1.4117 . ?
C51_9 C66_9 1.4407 . ?
C51_9 C52_9 1.4431 . ?
C52_9 C53_9 1.4423 . ?
C53_9 C54_9 1.3874 . ?
C53_9 C67_9 1.4593 . ?
C54_9 C55_9 1.4467 . ?
C55_9 C56_9 1.3881 . ?
C56_9 C57_9 1.4444 . ?
C56_9 C68_9 1.4517 . ?
C57_9 C58_9 1.4475 . ?
C58_9 C59_9 1.4217 . ?
C58_9 C69_9 1.4324 . ?
C59_9 C60_9 1.4247 . ?
C60_9 C61_9 1.4285 . ?
C61_9 C70_9 1.4214 . ?
C61_9 C62_9 1.4578 . ?
C62_9 C63_9 1.3850 . ?
C63_9 C64_9 1.4340 . ?
C64_9 C65_9 1.4192 . ?
C65_9 C66_9 1.4187 . ?
C65_9 C70_9 1.4591 . ?
C66_9 C67_9 1.4372 . ?
C67_9 C68_9 1.3850 . ?
C68_9 C69_9 1.4486 . ?
C69_9 C70_9 1.4131 . ?
C1_10 C2_10 1.416(11) . ?
C1_10 C6_10 1.446(10) . ?
C1_10 C9_10 1.455(10) . ?
C2_10 C3_10 1.410(10) . ?
C2_10 C12_10 1.481(10) . ?
C3_10 C4_10 1.438(9) . ?
C3_10 C15_10 1.443(10) . ?
C4_10 C5_10 1.413(10) . ?
C4_10 C17_10 1.456(10) . ?
C5_10 C6_10 1.411(10) . ?
C5_10 C20_10 1.480(9) . ?
C6_10 C7_10 1.448(10) . ?
C7_10 C22_10 1.392(10) . ?
C7_10 C8_10 1.437(9) . ?
C8_10 C9_10 1.419(11) . ?
C8_10 C25_10 1.420(10) . ?
C9_10 C10_10 1.395(10) . ?
C10_10 C27_10 1.445(10) . ?
C10_10 C11_10 1.448(10) . ?
C11_10 C12_10 1.418(10) . ?
C11_10 C29_10 1.464(10) . ?
C12_10 C13_10 1.401(11) . ?
C13_10 C31_10 1.439(10) . ?
C13_10 C14_10 1.445(10) . ?
C14_10 C15_10 1.397(10) . ?
C14_10 C33_10 1.441(11) . ?
C15_10 C16_10 1.433(10) . ?
C16_10 C35_10 1.401(10) . ?
C16_10 C17_10 1.438(10) . ?
C17_10 C18_10 1.378(9) . ?
C18_10 C19_10 1.437(10) . ?
C18_10 C37_10 1.458(10) . ?
C19_10 C20_10 1.418(10) . ?
C19_10 C39_10 1.448(9) . ?
C20_10 C21_10 1.398(9) . ?
C21_10 C22_10 1.435(9) . ?
C21_10 C41_10 1.438(10) . ?
C22_10 C23_10 1.448(10) . ?
C23_10 C24_10 1.398(9) . ?
C23_10 C42_10 1.441(10) . ?
C24_10 C25_10 1.419(10) . ?
C24_10 C45_10 1.482(10) . ?
C25_10 C26_10 1.448(10) . ?
C26_10 C27_10 1.379(10) . ?
C26_10 C46_10 1.474(10) . ?
C27_10 C28_10 1.459(10) . ?
C28_10 C48_10 1.378(10) . ?
C28_10 C29_10 1.435(10) . ?
C29_10 C30_10 1.403(10) . ?
C30_10 C31_10 1.416(10) . ?
C30_10 C50_10 1.462(10) . ?
C31_10 C32_10 1.449(11) . ?
C32_10 C52_10 1.374(10) . ?
C32_10 C33_10 1.457(10) . ?
C33_10 C34_10 1.403(11) . ?
C34_10 C54_10 1.442(11) . ?
C34_10 C35_10 1.467(10) . ?
C35_10 C36_10 1.445(10) . ?
C36_10 C37_10 1.372(10) . ?
C36_10 C55_10 1.480(11) . ?
C37_10 C38_10 1.439(10) . ?
C38_10 C57_10 1.397(10) . ?
C38_10 C39_10 1.442(10) . ?
C39_10 C40_10 1.411(9) . ?
C40_10 C41_10 1.398(10) . ?
C40_10 C59_10 1.471(9) . ?
C41_10 C42_10 1.460(9) . ?
C42_10 C43_10 1.382(10) . ?
C43_10 C60_10 1.429(10) . ?
C43_10 C44_10 1.456(9) . ?
C44_10 C45_10 1.378(10) . ?
C44_10 C62_10 1.442(10) . ?
C45_10 C46_10 1.464(10) . ?
C46_10 C47_10 1.380(10) . ?
C47_10 C48_10 1.432(10) . ?
C47_10 C63_10 1.451(10) . ?
C48_10 C49_10 1.463(10) . ?
C49_10 C64_10 1.415(10) . ?
C49_10 C50_10 1.424(10) . ?
C50_10 C51_10 1.398(10) . ?
C51_10 C66_10 1.430(10) . ?
C51_10 C52_10 1.457(10) . ?
C52_10 C53_10 1.440(10) . ?
C53_10 C54_10 1.392(10) . ?
C53_10 C67_10 1.454(10) . ?
C54_10 C55_10 1.447(11) . ?
C55_10 C56_10 1.383(10) . ?
C56_10 C57_10 1.428(10) . ?
C56_10 C68_10 1.468(10) . ?
C57_10 C58_10 1.446(10) . ?
C58_10 C59_10 1.414(10) . ?
C58_10 C69_10 1.442(10) . ?
C59_10 C60_10 1.422(9) . ?
C60_10 C61_10 1.424(9) . ?
C61_10 C70_10 1.423(10) . ?
C61_10 C62_10 1.442(10) . ?
C62_10 C63_10 1.402(10) . ?
C63_10 C64_10 1.431(10) . ?
C64_10 C65_10 1.425(10) . ?
C65_10 C66_10 1.413(10) . ?
C65_10 C70_10 1.455(10) . ?
C66_10 C67_10 1.447(10) . ?
C67_10 C68_10 1.369(10) . ?
C68_10 C69_10 1.431(10) . ?
C69_10 C70_10 1.436(10) . ?
C1_11 C2_11 1.391(10) . ?
C1_11 C6_11 1.430(10) . ?
C1_11 C9_11 1.470(10) . ?
C2_11 C3_11 1.410(10) . ?
C2_11 C12_11 1.487(10) . ?
C3_11 C15_11 1.430(11) . ?
C3_11 C4_11 1.441(10) . ?
C4_11 C5_11 1.410(11) . ?
C4_11 C17_11 1.445(10) . ?
C5_11 C6_11 1.438(10) . ?
C5_11 C20_11 1.456(10) . ?
C6_11 C7_11 1.429(11) . ?
C7_11 C22_11 1.393(10) . ?
C7_11 C8_11 1.436(10) . ?
C8_11 C25_11 1.389(10) . ?
C8_11 C9_11 1.440(10) . ?
C9_11 C10_11 1.398(10) . ?
C10_11 C11_11 1.428(10) . ?
C10_11 C27_11 1.447(10) . ?
C11_11 C12_11 1.423(10) . ?
C11_11 C29_11 1.453(10) . ?
C12_11 C13_11 1.415(10) . ?
C13_11 C14_11 1.430(10) . ?
C13_11 C31_11 1.431(10) . ?
C14_11 C15_11 1.399(10) . ?
C14_11 C33_11 1.426(11) . ?
C15_11 C16_11 1.455(11) . ?
C16_11 C35_11 1.374(11) . ?
C16_11 C17_11 1.466(11) . ?
C17_11 C18_11 1.393(11) . ?
C18_11 C19_11 1.431(11) . ?
C18_11 C37_11 1.449(10) . ?
C19_11 C20_11 1.426(10) . ?
C19_11 C39_11 1.445(10) . ?
C20_11 C21_11 1.417(11) . ?
C21_11 C41_11 1.431(11) . ?
C21_11 C22_11 1.431(10) . ?
C22_11 C23_11 1.443(11) . ?
C23_11 C24_11 1.391(11) . ?
C23_11 C42_11 1.456(11) . ?
C24_11 C25_11 1.429(11) . ?
C24_11 C45_11 1.449(11) . ?
C25_11 C26_11 1.438(10) . ?
C26_11 C27_11 1.384(11) . ?
C26_11 C46_11 1.468(11) . ?
C27_11 C28_11 1.443(10) . ?
C28_11 C48_11 1.369(10) . ?
C28_11 C29_11 1.447(10) . ?
C29_11 C30_11 1.400(10) . ?
C30_11 C31_11 1.418(10) . ?
C30_11 C50_11 1.483(10) . ?
C31_11 C32_11 1.432(10) . ?
C32_11 C52_11 1.388(10) . ?
C32_11 C33_11 1.473(10) . ?
C33_11 C34_11 1.373(11) . ?
C34_11 C54_11 1.431(11) . ?
C34_11 C35_11 1.480(11) . ?
C35_11 C36_11 1.431(11) . ?
C36_11 C37_11 1.404(11) . ?
C36_11 C55_11 1.470(11) . ?
C37_11 C38_11 1.441(11) . ?
C38_11 C57_11 1.375(10) . ?
C38_11 C39_11 1.443(10) . ?
C39_11 C40_11 1.428(10) . ?
C40_11 C41_11 1.395(10) . ?
C40_11 C59_11 1.476(10) . ?
C41_11 C42_11 1.438(10) . ?
C42_11 C43_11 1.392(10) . ?
C43_11 C44_11 1.444(10) . ?
C43_11 C60_11 1.448(10) . ?
C44_11 C45_11 1.378(11) . ?
C44_11 C62_11 1.442(10) . ?
C45_11 C46_11 1.457(10) . ?
C46_11 C47_11 1.388(10) . ?
C47_11 C48_11 1.453(10) . ?
C47_11 C63_11 1.462(10) . ?
C48_11 C49_11 1.462(10) . ?
C49_11 C50_11 1.425(10) . ?
C49_11 C64_11 1.432(10) . ?
C50_11 C51_11 1.402(10) . ?
C51_11 C52_11 1.440(10) . ?
C51_11 C66_11 1.443(10) . ?
C52_11 C53_11 1.428(11) . ?
C53_11 C54_11 1.403(11) . ?
C53_11 C67_11 1.476(11) . ?
C54_11 C55_11 1.446(11) . ?
C55_11 C56_11 1.379(11) . ?
C56_11 C57_11 1.455(11) . ?
C56_11 C68_11 1.464(10) . ?
C57_11 C58_11 1.455(10) . ?
C58_11 C59_11 1.390(10) . ?
C58_11 C69_11 1.453(10) . ?
C59_11 C60_11 1.430(10) . ?
C60_11 C61_11 1.433(10) . ?
C61_11 C70_11 1.412(10) . ?
C61_11 C62_11 1.440(10) . ?
C62_11 C63_11 1.393(10) . ?
C63_11 C64_11 1.430(10) . ?
C64_11 C65_11 1.435(10) . ?
C65_11 C66_11 1.408(10) . ?
C65_11 C70_11 1.459(10) . ?
C66_11 C67_11 1.439(10) . ?
C67_11 C68_11 1.382(10) . ?
C68_11 C69_11 1.424(11) . ?
C69_11 C70_11 1.436(10) . ?
C1_12 C6_12 1.419(11) . ?
C1_12 C2_12 1.426(11) . ?
C1_12 C9_12 1.437(9) . ?
C2_12 C3_12 1.429(11) . ?
C2_12 C12_12 1.448(12) . ?
C3_12 C4_12 1.431(13) . ?
C3_12 C15_12 1.461(12) . ?
C4_12 C5_12 1.403(13) . ?
C4_12 C17_12 1.448(11) . ?
C5_12 C6_12 1.409(10) . ?
C5_12 C20_12 1.470(12) . ?
C6_12 C7_12 1.451(12) . ?
C7_12 C22_12 1.381(12) . ?
C7_12 C8_12 1.424(11) . ?
C8_12 C25_12 1.402(11) . ?
C8_12 C9_12 1.439(11) . ?
C9_12 C10_12 1.400(10) . ?
C10_12 C11_12 1.448(10) . ?
C10_12 C27_12 1.459(10) . ?
C11_12 C12_12 1.412(11) . ?
C11_12 C29_12 1.426(11) . ?
C12_12 C13_12 1.408(11) . ?
C13_12 C31_12 1.447(13) . ?
C13_12 C14_12 1.451(13) . ?
C14_12 C15_12 1.360(14) . ?
C14_12 C33_12 1.457(13) . ?
C15_12 C16_12 1.432(13) . ?
C16_12 C35_12 1.396(12) . ?
C16_12 C17_12 1.461(14) . ?
C17_12 C18_12 1.355(13) . ?
C18_12 C19_12 1.434(13) . ?
C18_12 C37_12 1.453(11) . ?
C19_12 C20_12 1.434(11) . ?
C19_12 C39_12 1.436(12) . ?
C20_12 C21_12 1.404(13) . ?
C21_12 C41_12 1.437(13) . ?
C21_12 C22_12 1.447(12) . ?
C22_12 C23_12 1.459(13) . ?
C23_12 C24_12 1.400(12) . ?
C23_12 C42_12 1.458(12) . ?
C24_12 C25_12 1.443(11) . ?
C24_12 C45_12 1.462(12) . ?
C25_12 C26_12 1.447(11) . ?
C26_12 C27_12 1.358(10) . ?
C26_12 C46_12 1.472(11) . ?
C27_12 C28_12 1.454(11) . ?
C28_12 C48_12 1.385(11) . ?
C28_12 C29_12 1.442(11) . ?
C29_12 C30_12 1.425(11) . ?
C30_12 C31_12 1.395(13) . ?
C30_12 C50_12 1.471(12) . ?
C31_12 C32_12 1.432(12) . ?
C32_12 C52_12 1.388(13) . ?
C32_12 C33_12 1.452(14) . ?
C33_12 C34_12 1.390(13) . ?
C34_12 C35_12 1.424(13) . ?
C34_12 C54_12 1.458(12) . ?
C35_12 C36_12 1.440(12) . ?
C36_12 C37_12 1.365(12) . ?
C36_12 C55_12 1.470(12) . ?
C37_12 C38_12 1.433(12) . ?
C38_12 C57_12 1.396(10) . ?
C38_12 C39_12 1.438(11) . ?
C39_12 C40_12 1.413(12) . ?
C40_12 C41_12 1.427(11) . ?
C40_12 C59_12 1.465(12) . ?
C41_12 C42_12 1.453(13) . ?
C42_12 C43_12 1.379(13) . ?
C43_12 C60_12 1.445(11) . ?
C43_12 C44_12 1.457(13) . ?
C44_12 C45_12 1.395(12) . ?
C44_12 C62_12 1.451(13) . ?
C45_12 C46_12 1.440(12) . ?
C46_12 C47_12 1.371(12) . ?
C47_12 C63_12 1.428(11) . ?
C47_12 C48_12 1.438(13) . ?
C48_12 C49_12 1.464(11) . ?
C49_12 C64_12 1.441(12) . ?
C49_12 C50_12 1.444(13) . ?
C50_12 C51_12 1.402(12) . ?
C51_12 C66_12 1.438(12) . ?
C51_12 C52_12 1.463(13) . ?
C52_12 C53_12 1.444(12) . ?
C53_12 C54_12 1.387(12) . ?
C53_12 C67_12 1.459(12) . ?
C54_12 C55_12 1.439(12) . ?
C55_12 C56_12 1.391(11) . ?
C56_12 C57_12 1.440(10) . ?
C56_12 C68_12 1.454(10) . ?
C57_12 C58_12 1.439(10) . ?
C58_12 C59_12 1.420(10) . ?
C58_12 C69_12 1.427(11) . ?
C59_12 C60_12 1.439(11) . ?
C60_12 C61_12 1.418(12) . ?
C61_12 C70_12 1.420(11) . ?
C61_12 C62_12 1.446(11) . ?
C62_12 C63_12 1.377(13) . ?
C63_12 C64_12 1.438(13) . ?
C64_12 C65_12 1.427(11) . ?
C65_12 C66_12 1.388(12) . ?
C65_12 C70_12 1.476(12) . ?
C66_12 C67_12 1.456(11) . ?
C67_12 C68_12 1.383(11) . ?
C68_12 C69_12 1.451(10) . ?
C69_12 C70_12 1.394(10) . ?
Ni3_13 N4_13 1.965(5) . ?
Ni3_13 N3_13 1.969(5) . ?
Ni3_13 N2_13 1.973(5) . ?
Ni3_13 N1_13 1.978(5) . ?
N1_13 C71_13 1.370(7) . ?
N1_13 C74_13 1.374(7) . ?
N2_13 C76_13 1.361(7) . ?
N2_13 C79_13 1.382(7) . ?
N3_13 C84_13 1.363(7) . ?
N3_13 C81_13 1.376(7) . ?
N4_13 C89_13 1.367(7) . ?
N4_13 C86_13 1.370(7) . ?
C71_13 C90_13 1.373(8) . ?
C71_13 C72_13 1.448(8) . ?
C72_13 C73_13 1.341(8) . ?
C72_13 C91_13 1.520(8) . ?
C73_13 C74_13 1.448(8) . ?
C73_13 C93_13 1.508(8) . ?
C74_13 C75_13 1.368(8) . ?
C75_13 C76_13 1.386(8) . ?
C75_13 H41_13 0.9500 . ?
C76_13 C77_13 1.455(8) . ?
C77_13 C78_13 1.354(8) . ?
C77_13 C95_13 1.500(9) . ?
C78_13 C79_13 1.452(8) . ?
C78_13 C97_13 1.501(8) . ?
C79_13 C80_13 1.376(8) . ?
C80_13 C81_13 1.384(8) . ?
C80_13 H42_13 0.9500 . ?
C81_13 C82_13 1.455(8) . ?
C82_13 C83_13 1.359(9) . ?
C82_13 C99_13 1.500(9) . ?
C83_13 C84_13 1.453(8) . ?
C83_13 C101_13 1.517(9) . ?
C84_13 C85_13 1.378(8) . ?
C85_13 C86_13 1.375(8) . ?
C85_13 H43_13 0.9500 . ?
C86_13 C87_13 1.442(8) . ?
C87_13 C88_13 1.361(8) . ?
C87_13 C103_13 1.506(8) . ?
C88_13 C89_13 1.447(8) . ?
C88_13 C105_13 1.494(8) . ?
C89_13 C90_13 1.387(8) . ?
C90_13 H44_13 0.9500 . ?
C91_13 C92_13 1.542(9) . ?
C91_13 H1_13 0.9900 . ?
C91_13 H2_13 0.9900 . ?
C92_13 H3_13 0.9804 . ?
C92_13 H4_13 0.9809 . ?
C92_13 H5_13 0.9787 . ?
C93_13 C94_13 1.535(8) . ?
C93_13 H7_13 0.9900 . ?
C93_13 H6_13 0.9900 . ?
C96_13 C95_13 1.535(9) . ?
C96_13 H13_13 0.9782 . ?
C96_13 H14_13 0.9801 . ?
C96_13 H15_13 0.9804 . ?
C94_13 H8_13 0.9811 . ?
C94_13 H9_13 0.9798 . ?
C94_13 H10_13 0.9791 . ?
C95_13 H12_13 0.9900 . ?
C95_13 H11_13 0.9900 . ?
C97_13 C98_13 1.538(9) . ?
C97_13 H16_13 0.9900 . ?
C97_13 H17_13 0.9900 . ?
C98_13 H18_13 0.9791 . ?
C98_13 H19_13 0.9791 . ?
C98_13 H20_13 0.9818 . ?
C99_13 C100_13 1.520(10) . ?
C99_13 H21_13 0.9900 . ?
C99_13 H22_13 0.9900 . ?
C100_13 H23_13 0.9792 . ?
C100_13 H24_13 0.9814 . ?
C100_13 H25_13 0.9782 . ?
C101_13 C102_13 1.526(9) . ?
C101_13 H26_13 0.9900 . ?
C101_13 H27_13 0.9900 . ?
C102_13 H28_13 0.9793 . ?
C102_13 H29_13 0.9811 . ?
C102_13 H30_13 0.9796 . ?
C103_13 C104_13 1.535(9) . ?
C103_13 H31_13 0.9900 . ?
C103_13 H32_13 0.9900 . ?
C104_13 H33_13 0.9811 . ?
C104_13 H34_13 0.9819 . ?
C104_13 H35_13 0.9766 . ?
C105_13 C106_13 1.543(8) . ?
C105_13 H36_13 0.9900 . ?
C105_13 H37_13 0.9900 . ?
C106_13 H38_13 0.9802 . ?
C106_13 H39_13 0.9796 . ?
C106_13 H40_13 0.9802 . ?
Ni11_14 N6_14 1.962(5) . ?
Ni11_14 N5_14 1.963(4) . ?
Ni11_14 N7_14 1.969(5) . ?
Ni11_14 N8_14 1.974(5) . ?
N5_14 C109_14 1.375(7) . ?
N5_14 C126_14 1.386(7) . ?
N6_14 C111_14 1.373(7) . ?
N6_14 C114_14 1.379(7) . ?
N7_14 C119_14 1.368(7) . ?
N7_14 C116_14 1.384(7) . ?
N8_14 C121_14 1.363(7) . ?
N8_14 C124_14 1.365(7) . ?
C107_14 C108_14 1.353(8) . ?
C107_14 C126_14 1.435(8) . ?
C107_14 C127_14 1.506(8) . ?
C108_14 C109_14 1.455(8) . ?
C108_14 C129_14 1.511(8) . ?
C109_14 C110_14 1.379(8) . ?
C110_14 C111_14 1.396(8) . ?
C110_14 H85_14 0.9500 . ?
C111_14 C112_14 1.447(8) . ?
C112_14 C113_14 1.369(8) . ?
C112_14 C131_14 1.503(8) . ?
C113_14 C114_14 1.439(8) . ?
C113_14 C133_14 1.500(8) . ?
C114_14 C115_14 1.389(8) . ?
C115_14 C116_14 1.379(8) . ?
C115_14 H86_14 0.9500 . ?
C116_14 C117_14 1.453(8) . ?
C117_14 C118_14 1.349(9) . ?
C117_14 C135_14 1.512(8) . ?
C118_14 C119_14 1.446(8) . ?
C118_14 C137_14 1.503(8) . ?
C119_14 C120_14 1.382(8) . ?
C120_14 C121_14 1.371(8) . ?
C120_14 H87_14 0.9500 . ?
C121_14 C122_14 1.459(8) . ?
C122_14 C123_14 1.360(8) . ?
C122_14 C139_14 1.508(8) . ?
C123_14 C124_14 1.448(8) . ?
C123_14 C141_14 1.501(8) . ?
C124_14 C125_14 1.385(8) . ?
C125_14 C126_14 1.382(8) . ?
C125_14 H88_14 0.9500 . ?
C127_14 C128_14 1.522(9) . ?
C127_14 H46_14 0.9900 . ?
C127_14 H45_14 0.9900 . ?
C128_14 H49_14 0.9799 . ?
C128_14 H48_14 0.9816 . ?
C128_14 H47_14 0.9810 . ?
C129_14 C130_14 1.528(8) . ?
C129_14 H51_14 0.9900 . ?
C129_14 H50_14 0.9900 . ?
C130_14 H54_14 0.9800 . ?
C130_14 H53_14 0.9800 . ?
C130_14 H52_14 0.9800 . ?
C131_14 C132_14 1.544(9) . ?
C131_14 H56_14 0.9900 . ?
C131_14 H55_14 0.9900 . ?
C132_14 H59_14 0.9810 . ?
C132_14 H58_14 0.9797 . ?
C132_14 H57_14 0.9799 . ?
C133_14 C134_14 1.548(10) . ?
C133_14 H61_14 0.9900 . ?
C133_14 H60_14 0.9900 . ?
C134_14 H64_14 0.9790 . ?
C134_14 H63_14 0.9812 . ?
C134_14 H62_14 0.9794 . ?
C135_14 C136_14 1.539(9) . ?
C135_14 H66_14 0.9900 . ?
C135_14 H65_14 0.9900 . ?
C136_14 H69_14 0.9805 . ?
C136_14 H68_14 0.9786 . ?
C136_14 H67_14 0.9808 . ?
C137_14 C138_14 1.539(9) . ?
C137_14 H71_14 0.9900 . ?
C137_14 H70_14 0.9900 . ?
C138_14 H74_14 0.9803 . ?
C138_14 H73_14 0.9811 . ?
C138_14 H72_14 0.9805 . ?
C139_14 C140_14 1.543(9) . ?
C139_14 H76_14 0.9900 . ?
C139_14 H75_14 0.9900 . ?
C140_14 H79_14 0.9810 . ?
C140_14 H78_14 0.9804 . ?
C140_14 H77_14 0.9790 . ?
C141_14 C142_14 1.540(9) . ?
C141_14 H81_14 0.9900 . ?
C141_14 H80_14 0.9900 . ?
C142_14 H84_14 0.9804 . ?
C142_14 H83_14 0.9815 . ?
C142_14 H82_14 0.9787 . ?
Ni4_15 N12_15 1.964(5) . ?
Ni4_15 N10_15 1.969(5) . ?
Ni4_15 N11_15 1.971(5) . ?
Ni4_15 N9_15 1.971(5) . ?
N9_15 C161_15 1.374(7) . ?
N9_15 C144_15 1.374(7) . ?
N10_15 C146_15 1.368(7) . ?
N10_15 C149_15 1.380(7) . ?
N11_15 C154_15 1.368(7) . ?
N11_15 C151_15 1.379(7) . ?
N12_15 C156_15 1.360(7) . ?
N12_15 C159_15 1.385(7) . ?
C143_15 C162_15 1.348(8) . ?
C143_15 C144_15 1.449(8) . ?
C143_15 C165_15 1.504(8) . ?
C144_15 C145_15 1.386(8) . ?
C145_15 C146_15 1.377(8) . ?
C145_15 H129_15 0.9500 . ?
C146_15 C147_15 1.444(8) . ?
C147_15 C148_15 1.362(8) . ?
C147_15 C167_15 1.505(8) . ?
C148_15 C149_15 1.450(8) . ?
C148_15 C169_15 1.506(8) . ?
C149_15 C150_15 1.379(8) . ?
C150_15 C151_15 1.376(9) . ?
C150_15 H130_15 0.9500 . ?
C151_15 C152_15 1.450(8) . ?
C152_15 C153_15 1.361(9) . ?
C152_15 C171_15 1.515(8) . ?
C153_15 C154_15 1.460(8) . ?
C153_15 C173_15 1.500(8) . ?
C154_15 C155_15 1.375(8) . ?
C155_15 C156_15 1.395(8) . ?
C155_15 H131_15 0.9500 . ?
C156_15 C157_15 1.443(8) . ?
C157_15 C158_15 1.353(8) . ?
C157_15 C175_15 1.497(8) . ?
C158_15 C159_15 1.445(8) . ?
C158_15 C177_15 1.515(8) . ?
C159_15 C160_15 1.381(8) . ?
C160_15 C161_15 1.385(8) . ?
C160_15 H132_15 0.9500 . ?
C161_15 C162_15 1.442(8) . ?
C162_15 C163_15 1.512(8) . ?
C163_15 C164_15 1.536(9) . ?
C163_15 H89_15 0.9900 . ?
C163_15 H90_15 0.9900 . ?
C164_15 H93_15 0.9804 . ?
C164_15 H92_15 0.9810 . ?
C164_15 H91_15 0.9797 . ?
C165_15 C166_15 1.535(8) . ?
C165_15 H95_15 0.9900 . ?
C165_15 H94_15 0.9900 . ?
C166_15 H96_15 0.9810 . ?
C166_15 H97_15 0.9782 . ?
C166_15 H98_15 0.9803 . ?
C167_15 C168_15 1.535(9) . ?
C167_15 H100_15 0.9900 . ?
C167_15 H99_15 0.9900 . ?
C168_15 H101_15 0.9791 . ?
C168_15 H102_15 0.9805 . ?
C168_15 H103_15 0.9809 . ?
C169_15 C170_15 1.537(9) . ?
C169_15 H105_15 0.9900 . ?
C169_15 H104_15 0.9900 . ?
C170_15 H108_15 0.9800 . ?
C170_15 H107_15 0.9792 . ?
C170_15 H106_15 0.9789 . ?
C171_15 C172_15 1.532(9) . ?
C171_15 H109_15 0.9900 . ?
C171_15 H110_15 0.9900 . ?
C172_15 H111_15 0.9804 . ?
C172_15 H112_15 0.9797 . ?
C172_15 H113_15 0.9798 . ?
C173_15 C174_15 1.541(8) . ?
C173_15 H114_15 0.9900 . ?
C173_15 H115_15 0.9900 . ?
C174_15 H118_15 0.9784 . ?
C174_15 H117_15 0.9805 . ?
C174_15 H116_15 0.9803 . ?
C175_15 C176_15 1.550(9) . ?
C175_15 H120_15 0.9900 . ?
C175_15 H119_15 0.9900 . ?
C176_15 H121_15 0.9794 . ?
C176_15 H122_15 0.9808 . ?
C176_15 H123_15 0.9799 . ?
C177_15 C178_15 1.526(10) . ?
C177_15 H125_15 0.9900 . ?
C177_15 H124_15 0.9900 . ?
C178_15 H126_15 0.9796 . ?
C178_15 H127_15 0.9824 . ?
C178_15 H128_15 0.9791 . ?
Ni9_16 N15_16 1.963(5) . ?
Ni9_16 N16_16 1.964(5) . ?
Ni9_16 N13_16 1.965(5) . ?
Ni9_16 N14_16 1.965(5) . ?
N13_16 C179_16 1.366(8) . ?
N13_16 C196_16 1.366(7) . ?
N14_16 C184_16 1.365(7) . ?
N14_16 C181_16 1.379(7) . ?
N15_16 C186_16 1.376(7) . ?
N15_16 C189_16 1.379(7) . ?
N16_16 C191_16 1.372(7) . ?
N16_16 C194_16 1.376(7) . ?
C179_16 C180_16 1.397(8) . ?
C179_16 C198_16 1.447(8) . ?
C180_16 C181_16 1.380(8) . ?
C180_16 H173_16 0.9500 . ?
C181_16 C182_16 1.441(8) . ?
C182_16 C183_16 1.367(8) . ?
C182_16 C201_16 1.499(8) . ?
C183_16 C184_16 1.457(8) . ?
C183_16 C203_16 1.488(8) . ?
C184_16 C185_16 1.377(8) . ?
C185_16 C186_16 1.391(8) . ?
C185_16 H174_16 0.9500 . ?
C186_16 C187_16 1.455(8) . ?
C187_16 C188_16 1.352(9) . ?
C187_16 C205_16 1.495(8) . ?
C188_16 C189_16 1.450(8) . ?
C188_16 C207_16 1.502(8) . ?
C189_16 C190_16 1.366(8) . ?
C190_16 C191_16 1.375(8) . ?
C190_16 H175_16 0.9500 . ?
C191_16 C192_16 1.452(8) . ?
C192_16 C193_16 1.367(8) . ?
C192_16 C209_16 1.505(8) . ?
C193_16 C194_16 1.459(8) . ?
C193_16 C211_16 1.493(8) . ?
C194_16 C195_16 1.381(8) . ?
C195_16 C196_16 1.385(8) . ?
C195_16 H176_16 0.9500 . ?
C196_16 C197_16 1.454(8) . ?
C197_16 C198_16 1.360(8) . ?
C197_16 C213_16 1.506(8) . ?
C198_16 C199_16 1.501(8) . ?
C199_16 C200_16 1.546(9) . ?
C199_16 H134_16 0.9900 . ?
C199_16 H133_16 0.9900 . ?
C200_16 H137_16 0.9797 . ?
C200_16 H136_16 0.9800 . ?
C200_16 H135_16 0.9801 . ?
C201_16 C202_16 1.532(9) . ?
C201_16 H139_16 0.9900 . ?
C201_16 H138_16 0.9900 . ?
C202_16 H142_16 0.9791 . ?
C202_16 H141_16 0.9825 . ?
C202_16 H140_16 0.9802 . ?
C203_16 C204_16 1.529(10) . ?
C203_16 H144_16 0.9900 . ?
C203_16 H143_16 0.9900 . ?
C204_16 H147_16 0.9798 . ?
C204_16 H146_16 0.9809 . ?
C204_16 H145_16 0.9774 . ?
C205_16 C206_16 1.541(10) . ?
C205_16 H149_16 0.9900 . ?
C205_16 H148_16 0.9900 . ?
C206_16 H152_16 0.9806 . ?
C206_16 H151_16 0.9803 . ?
C206_16 H150_16 0.9764 . ?
C207_16 C208_16 1.536(9) . ?
C207_16 H154_16 0.9900 . ?
C207_16 H153_16 0.9900 . ?
C208_16 H157_16 0.9806 . ?
C208_16 H156_16 0.9807 . ?
C208_16 H155_16 0.9826 . ?
C209_16 C210_16 1.526(8) . ?
C209_16 H159_16 0.9900 . ?
C209_16 H158_16 0.9900 . ?
C210_16 H162_16 0.9801 . ?
C210_16 H161_16 0.9795 . ?
C210_16 H160_16 0.9815 . ?
C211_16 C212_16 1.530(9) . ?
C211_16 H164_16 0.9900 . ?
C211_16 H163_16 0.9900 . ?
C212_16 H167_16 0.9799 . ?
C212_16 H166_16 0.9805 . ?
C212_16 H165_16 0.9795 . ?
C213_16 C214_16 1.536(9) . ?
C213_16 H169_16 0.9900 . ?
C213_16 H168_16 0.9900 . ?
C214_16 H172_16 0.9792 . ?
C214_16 H171_16 0.9807 . ?
C214_16 H170_16 0.9799 . ?
Ni2_24 N17_24 1.964(5) . ?
Ni2_24 N20_24 1.966(5) . ?
Ni2_24 N19_24 1.973(5) . ?
Ni2_24 N18_24 1.980(5) . ?
N17_24 C219_24 1.369(7) . ?
N17_24 C216_24 1.384(7) . ?
N18_24 C224_24 1.367(7) . ?
N18_24 C221_24 1.372(7) . ?
N19_24 C229_24 1.364(8) . ?
N19_24 C226_24 1.368(7) . ?
N20_24 C231_24 1.375(7) . ?
N20_24 C234_24 1.389(7) . ?
C215_24 C216_24 1.382(8) . ?
C215_24 C234_24 1.394(8) . ?
C215_24 H217_24 0.9500 . ?
C216_24 C217_24 1.433(8) . ?
C217_24 C218_24 1.354(9) . ?
C217_24 C235_24 1.500(8) . ?
C218_24 C219_24 1.450(8) . ?
C218_24 C237_24 1.500(8) . ?
C219_24 C220_24 1.385(8) . ?
C220_24 C221_24 1.382(8) . ?
C220_24 H218_24 0.9500 . ?
C221_24 C222_24 1.433(8) . ?
C222_24 C223_24 1.360(8) . ?
C222_24 C239_24 1.504(8) . ?
C223_24 C224_24 1.445(8) . ?
C223_24 C241_24 1.497(8) . ?
C224_24 C225_24 1.380(8) . ?
C225_24 C226_24 1.377(8) . ?
C225_24 H219_24 0.9500 . ?
C226_24 C227_24 1.460(8) . ?
C227_24 C228_24 1.365(9) . ?
C227_24 C243_24 1.498(8) . ?
C228_24 C229_24 1.441(8) . ?
C228_24 C245_24 1.499(8) . ?
C229_24 C230_24 1.398(8) . ?
C230_24 C231_24 1.367(8) . ?
C230_24 H220_24 0.9500 . ?
C231_24 C232_24 1.450(8) . ?
C232_24 C233_24 1.360(9) . ?
C232_24 C247_24 1.497(9) . ?
C233_24 C234_24 1.429(8) . ?
C233_24 C249_24 1.512(9) . ?
C235_24 C236_24 1.522(10) . ?
C235_24 H178_24 0.9900 . ?
C235_24 H177_24 0.9900 . ?
C236_24 H181_24 0.9800 . ?
C236_24 H180_24 0.9791 . ?
C236_24 H179_24 0.9818 . ?
C237_24 C238_24 1.543(9) . ?
C237_24 H183_24 0.9900 . ?
C237_24 H182_24 0.9900 . ?
C238_24 H186_24 0.9802 . ?
C238_24 H185_24 0.9808 . ?
C238_24 H184_24 0.9813 . ?
C239_24 C240_24 1.528(8) . ?
C239_24 H188_24 0.9900 . ?
C239_24 H187_24 0.9900 . ?
C240_24 H191_24 0.9791 . ?
C240_24 H190_24 0.9807 . ?
C240_24 H189_24 0.9791 . ?
C241_24 C242_24 1.534(9) . ?
C241_24 H193_24 0.9900 . ?
C241_24 H192_24 0.9900 . ?
C242_24 H196_24 0.9789 . ?
C242_24 H195_24 0.9815 . ?
C242_24 H194_24 0.9801 . ?
C243_24 C244_24 1.537(9) . ?
C243_24 H198_24 0.9900 . ?
C243_24 H197_24 0.9900 . ?
C244_24 H201_24 0.9803 . ?
C244_24 H200_24 0.9810 . ?
C244_24 H199_24 0.9784 . ?
C245_24 C246_24 1.527(9) . ?
C245_24 H203_24 0.9900 . ?
C245_24 H202_24 0.9900 . ?
C246_24 H206_24 0.9801 . ?
C246_24 H205_24 0.9805 . ?
C246_24 H204_24 0.9813 . ?
C247_24 C248_24 1.540(9) . ?
C247_24 H208_24 0.9900 . ?
C247_24 H207_24 0.9900 . ?
C248_24 H211_24 0.9797 . ?
C248_24 H210_24 0.9806 . ?
C248_24 H209_24 0.9804 . ?
C249_24 C250_24 1.512(11) . ?
C249_24 H213_24 0.9900 . ?
C249_24 H212_24 0.9900 . ?
C250_24 H216_24 0.9798 . ?
C250_24 H215_24 0.9825 . ?
C250_24 H214_24 0.9793 . ?
Ni12_17 N23_17 1.963(5) . ?
Ni12_17 N21_17 1.969(5) . ?
Ni12_17 N24_17 1.969(5) . ?
Ni12_17 N22_17 1.969(5) . ?
N21_17 C254_17 1.364(7) . ?
N21_17 C251_17 1.381(7) . ?
N22_17 C256_17 1.369(7) . ?
N22_17 C259_17 1.377(7) . ?
N23_17 C264_17 1.373(7) . ?
N23_17 C261_17 1.378(7) . ?
N24_17 C266_17 1.371(7) . ?
N24_17 C269_17 1.380(7) . ?
C251_17 C270_17 1.376(8) . ?
C251_17 C252_17 1.445(8) . ?
C252_17 C253_17 1.352(9) . ?
C252_17 C271_17 1.501(8) . ?
C253_17 C254_17 1.450(8) . ?
C253_17 C273_17 1.503(8) . ?
C254_17 C255_17 1.380(8) . ?
C255_17 C256_17 1.374(8) . ?
C255_17 H261_17 0.9500 . ?
C256_17 C257_17 1.457(8) . ?
C257_17 C258_17 1.363(8) . ?
C257_17 C275_17 1.503(9) . ?
C258_17 C259_17 1.447(8) . ?
C258_17 C277_17 1.501(8) . ?
C259_17 C260_17 1.383(8) . ?
C260_17 C261_17 1.381(8) . ?
C260_17 H262_17 0.9500 . ?
C261_17 C262_17 1.457(8) . ?
C262_17 C263_17 1.364(8) . ?
C262_17 C279_17 1.498(8) . ?
C263_17 C264_17 1.455(8) . ?
C263_17 C281_17 1.501(8) . ?
C264_17 C265_17 1.372(8) . ?
C265_17 C266_17 1.391(8) . ?
C265_17 H263_17 0.9500 . ?
C266_17 C267_17 1.435(8) . ?
C267_17 C268_17 1.355(8) . ?
C267_17 C283_17 1.505(8) . ?
C268_17 C269_17 1.447(8) . ?
C268_17 C285_17 1.493(8) . ?
C269_17 C270_17 1.389(8) . ?
C270_17 H264_17 0.9500 . ?
C271_17 C272_17 1.525(10) . ?
C271_17 H222_17 0.9900 . ?
C271_17 H221_17 0.9900 . ?
C272_17 H225_17 0.9797 . ?
C272_17 H224_17 0.9782 . ?
C272_17 H223_17 0.9797 . ?
C273_17 C274_17 1.521(9) . ?
C273_17 H227_17 0.9900 . ?
C273_17 H226_17 0.9900 . ?
C274_17 H230_17 0.9797 . ?
C274_17 H229_17 0.9805 . ?
C274_17 H228_17 0.9810 . ?
C275_17 C276_17 1.536(9) . ?
C275_17 H232_17 0.9900 . ?
C275_17 H231_17 0.9900 . ?
C276_17 H235_17 0.9819 . ?
C276_17 H234_17 0.9782 . ?
C276_17 H233_17 0.9806 . ?
C277_17 C278_17 1.513(9) . ?
C277_17 H237_17 0.9900 . ?
C277_17 H236_17 0.9900 . ?
C278_17 H240_17 0.9809 . ?
C278_17 H239_17 0.9797 . ?
C278_17 H238_17 0.9807 . ?
C279_17 C280_17 1.536(9) . ?
C279_17 H242_17 0.9900 . ?
C279_17 H241_17 0.9900 . ?
C280_17 H245_17 0.9813 . ?
C280_17 H244_17 0.9806 . ?
C280_17 H243_17 0.9783 . ?
C281_17 C282_17 1.535(8) . ?
C281_17 H247_17 0.9900 . ?
C281_17 H246_17 0.9900 . ?
C282_17 H250_17 0.9808 . ?
C282_17 H249_17 0.9813 . ?
C282_17 H248_17 0.9787 . ?
C283_17 C284_17 1.532(9) . ?
C283_17 H252_17 0.9900 . ?
C283_17 H251_17 0.9900 . ?
C284_17 H255_17 0.9795 . ?
C284_17 H254_17 0.9790 . ?
C284_17 H253_17 0.9816 . ?
C285_17 C286_17 1.528(10) . ?
C285_17 H257_17 0.9900 . ?
C285_17 H256_17 0.9900 . ?
C286_17 H260_17 0.9776 . ?
C286_17 H259_17 0.9817 . ?
C286_17 H258_17 0.9816 . ?
Ni8_18 N27_18 1.964(5) . ?
Ni8_18 N25_18 1.968(4) . ?
Ni8_18 N28_18 1.971(5) . ?
Ni8_18 N26_18 1.975(5) . ?
N25_18 C306_18 1.375(7) . ?
N25_18 C289_18 1.376(7) . ?
N26_18 C294_18 1.366(7) . ?
N26_18 C291_18 1.378(7) . ?
N27_18 C299_18 1.370(7) . ?
N27_18 C296_18 1.373(7) . ?
N28_18 C301_18 1.366(7) . ?
N28_18 C304_18 1.376(7) . ?
C287_18 C288_18 1.355(8) . ?
C287_18 C306_18 1.456(8) . ?
C287_18 C307_18 1.494(8) . ?
C288_18 C289_18 1.441(8) . ?
C288_18 C309_18 1.506(8) . ?
C289_18 C290_18 1.382(8) . ?
C290_18 C291_18 1.376(8) . ?
C290_18 H29A_18 0.9500 . ?
C291_18 C292_18 1.459(8) . ?
C292_18 C293_18 1.368(8) . ?
C292_18 C311_18 1.484(8) . ?
C293_18 C294_18 1.451(8) . ?
C293_18 C313_18 1.499(8) . ?
C294_18 C295_18 1.381(8) . ?
C295_18 C296_18 1.387(8) . ?
C295_18 H29B_18 0.9500 . ?
C296_18 C297_18 1.445(8) . ?
C297_18 C298_18 1.357(8) . ?
C297_18 C315_18 1.507(8) . ?
C298_18 C299_18 1.446(8) . ?
C298_18 C317_18 1.491(8) . ?
C299_18 C300_18 1.391(8) . ?
C300_18 C301_18 1.369(8) . ?
C300_18 H30A_18 0.9500 . ?
C301_18 C302_18 1.454(8) . ?
C302_18 C303_18 1.362(8) . ?
C302_18 C319_18 1.491(8) . ?
C303_18 C304_18 1.453(8) . ?
C303_18 C321_18 1.498(8) . ?
C304_18 C305_18 1.384(8) . ?
C305_18 C306_18 1.385(8) . ?
C305_18 H30B_18 0.9500 . ?
C307_18 C308_18 1.517(10) . ?
C307_18 H30C_18 0.9900 . ?
C307_18 H30D_18 0.9900 . ?
C308_18 H30E_18 0.9818 . ?
C308_18 H30F_18 0.9757 . ?
C308_18 H30G_18 0.9796 . ?
C309_18 C310_18 1.539(9) . ?
C309_18 H30H_18 0.9900 . ?
C309_18 H30I_18 0.9900 . ?
C310_18 H31A_18 0.9799 . ?
C310_18 H31B_18 0.9809 . ?
C310_18 H31C_18 0.9804 . ?
C311_18 C312_18 1.528(8) . ?
C311_18 H31D_18 0.9900 . ?
C311_18 H31E_18 0.9900 . ?
C312_18 H31F_18 0.9808 . ?
C312_18 H31G_18 0.9786 . ?
C312_18 H31H_18 0.9791 . ?
C313_18 C314_18 1.543(8) . ?
C313_18 H31I_18 0.9900 . ?
C313_18 H31J_18 0.9900 . ?
C314_18 H31K_18 0.9784 . ?
C314_18 H31L_18 0.9815 . ?
C314_18 H31M_18 0.9818 . ?
C315_18 C316_18 1.529(9) . ?
C315_18 H31N_18 0.9900 . ?
C315_18 H31O_18 0.9900 . ?
C316_18 H31P_18 0.9804 . ?
C316_18 H31Q_18 0.9803 . ?
C316_18 H31R_18 0.9793 . ?
C317_18 C318_18 1.534(9) . ?
C317_18 H31S_18 0.9900 . ?
C317_18 H31T_18 0.9900 . ?
C318_18 H31U_18 0.9794 . ?
C318_18 H31V_18 0.9798 . ?
C318_18 H31W_18 0.9819 . ?
C319_18 C320_18 1.549(9) . ?
C319_18 H31X_18 0.9900 . ?
C319_18 H31Y_18 0.9900 . ?
C320_18 H32A_18 0.9796 . ?
C320_18 H32B_18 0.9810 . ?
C320_18 H32C_18 0.9823 . ?
C321_18 C322_18 1.547(10) . ?
C321_18 H32D_18 0.9900 . ?
C321_18 H32E_18 0.9900 . ?
C322_18 H32F_18 0.9808 . ?
C322_18 H32G_18 0.9811 . ?
C322_18 H32H_18 0.9772 . ?
Ni10_19 N31_19 1.963(5) . ?
Ni10_19 N29_19 1.969(5) . ?
Ni10_19 N30_19 1.976(5) . ?
Ni10_19 N32_19 1.977(5) . ?
N29_19 C324_19 1.363(7) . ?
N29_19 C341_19 1.376(7) . ?
N30_19 C326_19 1.368(7) . ?
N30_19 C329_19 1.380(7) . ?
N31_19 C334_19 1.366(7) . ?
N31_19 C331_19 1.369(7) . ?
N32_19 C336_19 1.361(8) . ?
N32_19 C339_19 1.375(8) . ?
C323_19 C342_19 1.359(9) . ?
C323_19 C324_19 1.443(8) . ?
C323_19 C345_19 1.496(8) . ?
C324_19 C325_19 1.389(8) . ?
C325_19 C326_19 1.380(8) . ?
C325_19 H349_19 0.9500 . ?
C326_19 C327_19 1.447(8) . ?
C327_19 C328_19 1.357(8) . ?
C327_19 C347_19 1.506(9) . ?
C328_19 C329_19 1.444(8) . ?
C328_19 C349_19 1.514(8) . ?
C329_19 C330_19 1.376(8) . ?
C330_19 C331_19 1.387(8) . ?
C330_19 H350_19 0.9500 . ?
C331_19 C332_19 1.444(8) . ?
C332_19 C333_19 1.358(9) . ?
C332_19 C351_19 1.501(8) . ?
C333_19 C334_19 1.449(8) . ?
C333_19 C353_19 1.509(9) . ?
C334_19 C335_19 1.383(8) . ?
C335_19 C336_19 1.386(8) . ?
C335_19 H351_19 0.9500 . ?
C336_19 C337_19 1.454(8) . ?
C337_19 C338_19 1.367(9) . ?
C337_19 C355_19 1.494(9) . ?
C338_19 C339_19 1.443(9) . ?
C338_19 C357_19 1.501(8) . ?
C339_19 C340_19 1.401(8) . ?
C340_19 C341_19 1.382(9) . ?
C340_19 H352_19 0.9500 . ?
C341_19 C342_19 1.449(8) . ?
C342_19 C343_19 1.506(8) . ?
C343_19 C344_19 1.536(9) . ?
C343_19 H310_19 0.9900 . ?
C343_19 H309_19 0.9900 . ?
C344_19 H313_19 0.9794 . ?
C344_19 H312_19 0.9796 . ?
C344_19 H311_19 0.9794 . ?
C345_19 C346_19 1.542(9) . ?
C345_19 H315_19 0.9900 . ?
C345_19 H314_19 0.9900 . ?
C346_19 H318_19 0.9796 . ?
C346_19 H317_19 0.9791 . ?
C346_19 H316_19 0.9808 . ?
C347_19 C348_19 1.538(8) . ?
C347_19 H320_19 0.9900 . ?
C347_19 H319_19 0.9900 . ?
C348_19 H323_19 0.9812 . ?
C348_19 H322_19 0.9784 . ?
C348_19 H321_19 0.9806 . ?
C349_19 C350_19 1.537(9) . ?
C349_19 H325_19 0.9900 . ?
C349_19 H324_19 0.9900 . ?
C350_19 H328_19 0.9802 . ?
C350_19 H327_19 0.9801 . ?
C350_19 H326_19 0.9826 . ?
C351_19 C352_19 1.528(9) . ?
C351_19 H330_19 0.9900 . ?
C351_19 H329_19 0.9900 . ?
C352_19 H333_19 0.9811 . ?
C352_19 H332_19 0.9805 . ?
C352_19 H331_19 0.9796 . ?
C353_19 C354_19 1.528(9) . ?
C353_19 H335_19 0.9900 . ?
C353_19 H334_19 0.9900 . ?
C354_19 H338_19 0.9804 . ?
C354_19 H337_19 0.9799 . ?
C354_19 H336_19 0.9783 . ?
C355_19 C356_19 1.548(9) . ?
C355_19 H340_19 0.9900 . ?
C355_19 H339_19 0.9900 . ?
C356_19 H343_19 0.9794 . ?
C356_19 H342_19 0.9807 . ?
C356_19 H341_19 0.9814 . ?
C357_19 C358_19 1.533(9) . ?
C357_19 H345_19 0.9900 . ?
C357_19 H344_19 0.9900 . ?
C358_19 H348_19 0.9801 . ?
C358_19 H347_19 0.9797 . ?
C358_19 H346_19 0.9783 . ?
Ni1_20 N36_20 1.958(5) . ?
Ni1_20 N33_20 1.959(5) . ?
Ni1_20 N34_20 1.970(5) . ?
Ni1_20 N35_20 1.970(5) . ?
N33_20 C376_20 1.372(7) . ?
N33_20 C359_20 1.376(7) . ?
N34_20 C361_20 1.365(8) . ?
N34_20 C364_20 1.372(7) . ?
N35_20 C369_20 1.364(7) . ?
N35_20 C366_20 1.375(7) . ?
N36_20 C371_20 1.377(7) . ?
N36_20 C374_20 1.385(7) . ?
C359_20 C360_20 1.391(8) . ?
C359_20 C378_20 1.444(8) . ?
C360_20 C361_20 1.390(8) . ?
C360_20 H393_20 0.9500 . ?
C361_20 C362_20 1.456(8) . ?
C362_20 C363_20 1.360(8) . ?
C362_20 C381_20 1.502(8) . ?
C363_20 C364_20 1.461(8) . ?
C363_20 C383_20 1.504(8) . ?
C364_20 C365_20 1.371(8) . ?
C365_20 C366_20 1.391(8) . ?
C365_20 H394_20 0.9500 . ?
C366_20 C367_20 1.444(8) . ?
C367_20 C368_20 1.360(8) . ?
C367_20 C385_20 1.492(8) . ?
C368_20 C369_20 1.443(8) . ?
C368_20 C387_20 1.511(8) . ?
C369_20 C370_20 1.386(8) . ?
C370_20 C371_20 1.387(8) . ?
C370_20 H395_20 0.9500 . ?
C371_20 C372_20 1.450(8) . ?
C372_20 C373_20 1.356(9) . ?
C372_20 C389_20 1.499(8) . ?
C373_20 C374_20 1.444(8) . ?
C373_20 C391_20 1.510(8) . ?
C374_20 C375_20 1.379(8) . ?
C375_20 C376_20 1.392(8) . ?
C375_20 H396_20 0.9500 . ?
C376_20 C377_20 1.442(8) . ?
C377_20 C378_20 1.347(8) . ?
C377_20 C393_20 1.512(8) . ?
C378_20 C379_20 1.493(8) . ?
C379_20 C380_20 1.545(9) . ?
C379_20 H354_20 0.9900 . ?
C379_20 H353_20 0.9900 . ?
C380_20 H357_20 0.9798 . ?
C380_20 H356_20 0.9785 . ?
C380_20 H355_20 0.9814 . ?
C381_20 C382_20 1.536(9) . ?
C381_20 H359_20 0.9900 . ?
C381_20 H358_20 0.9900 . ?
C382_20 H362_20 0.9790 . ?
C382_20 H361_20 0.9817 . ?
C382_20 H360_20 0.9801 . ?
C383_20 C384_20 1.538(9) . ?
C383_20 H364_20 0.9900 . ?
C383_20 H363_20 0.9900 . ?
C384_20 H367_20 0.9798 . ?
C384_20 H366_20 0.9800 . ?
C384_20 H365_20 0.9805 . ?
C385_20 C386_20 1.532(10) . ?
C385_20 H369_20 0.9900 . ?
C385_20 H368_20 0.9900 . ?
C386_20 H372_20 0.9796 . ?
C386_20 H371_20 0.9791 . ?
C386_20 H370_20 0.9808 . ?
C387_20 C388_20 1.531(9) . ?
C387_20 H374_20 0.9900 . ?
C387_20 H373_20 0.9900 . ?
C388_20 H377_20 0.9793 . ?
C388_20 H376_20 0.9786 . ?
C388_20 H375_20 0.9804 . ?
C389_20 C390_20 1.523(9) . ?
C389_20 H379_20 0.9900 . ?
C389_20 H378_20 0.9900 . ?
C390_20 H382_20 0.9805 . ?
C390_20 H381_20 0.9818 . ?
C390_20 H380_20 0.9776 . ?
C391_20 C392_20 1.522(9) . ?
C391_20 H384_20 0.9900 . ?
C391_20 H383_20 0.9900 . ?
C392_20 H387_20 0.9798 . ?
C392_20 H386_20 0.9805 . ?
C392_20 H385_20 0.9791 . ?
C393_20 C394_20 1.539(8) . ?
C393_20 H389_20 0.9900 . ?
C393_20 H388_20 0.9900 . ?
C394_20 H392_20 0.9792 . ?
C394_20 H390_20 0.9805 . ?
C394_20 H391_20 0.9795 . ?
Ni7_21 N37_21 1.956(5) . ?
Ni7_21 N39_21 1.964(5) . ?
Ni7_21 N40_21 1.981(5) . ?
Ni7_21 N38_21 1.985(5) . ?
N37_21 C399_21 1.369(7) . ?
N37_21 C396_21 1.383(7) . ?
N38_21 C401_21 1.357(8) . ?
N38_21 C404_21 1.383(7) . ?
N39_21 C409_21 1.361(7) . ?
N39_21 C406_21 1.381(7) . ?
N40_21 C414_21 1.362(7) . ?
N40_21 C411_21 1.387(7) . ?
C395_21 C396_21 1.380(8) . ?
C395_21 C414_21 1.389(8) . ?
C395_21 H437_21 0.9500 . ?
C396_21 C397_21 1.451(8) . ?
C397_21 C398_21 1.353(9) . ?
C397_21 C415_21 1.499(8) . ?
C398_21 C399_21 1.447(8) . ?
C398_21 C417_21 1.510(8) . ?
C399_21 C400_21 1.388(8) . ?
C400_21 C401_21 1.375(8) . ?
C400_21 H438_21 0.9500 . ?
C401_21 C402_21 1.455(8) . ?
C402_21 C403_21 1.366(9) . ?
C402_21 C419_21 1.493(9) . ?
C403_21 C404_21 1.443(8) . ?
C403_21 C421_21 1.508(8) . ?
C404_21 C405_21 1.364(8) . ?
C405_21 C406_21 1.386(8) . ?
C405_21 H439_21 0.9500 . ?
C406_21 C407_21 1.449(9) . ?
C407_21 C408_21 1.347(8) . ?
C407_21 C423_21 1.508(8) . ?
C408_21 C409_21 1.439(8) . ?
C408_21 C425_21 1.507(8) . ?
C409_21 C410_21 1.401(8) . ?
C410_21 C411_21 1.359(8) . ?
C410_21 H440_21 0.9500 . ?
C411_21 C412_21 1.441(8) . ?
C412_21 C413_21 1.356(8) . ?
C412_21 C427_21 1.512(8) . ?
C413_21 C414_21 1.449(8) . ?
C413_21 C429_21 1.516(8) . ?
C415_21 C416_21 1.541(9) . ?
C415_21 H397_21 0.9900 . ?
C415_21 H398_21 0.9900 . ?
C416_21 H401_21 0.9800 . ?
C416_21 H400_21 0.9799 . ?
C416_21 H399_21 0.9809 . ?
C417_21 C418_21 1.543(9) . ?
C417_21 H403_21 0.9900 . ?
C417_21 H402_21 0.9900 . ?
C418_21 H406_21 0.9787 . ?
C418_21 H405_21 0.9819 . ?
C418_21 H404_21 0.9793 . ?
C419_21 C420_21 1.545(9) . ?
C419_21 H408_21 0.9900 . ?
C419_21 H407_21 0.9900 . ?
C420_21 H411_21 0.9792 . ?
C420_21 H410_21 0.9807 . ?
C420_21 H409_21 0.9819 . ?
C421_21 C422_21 1.530(10) . ?
C421_21 H413_21 0.9900 . ?
C421_21 H412_21 0.9900 . ?
C422_21 H416_21 0.9807 . ?
C422_21 H415_21 0.9797 . ?
C422_21 H414_21 0.9781 . ?
C423_21 C424_21 1.535(10) . ?
C423_21 H418_21 0.9900 . ?
C423_21 H417_21 0.9900 . ?
C424_21 H421_21 0.9806 . ?
C424_21 H420_21 0.9815 . ?
C424_21 H419_21 0.9786 . ?
C425_21 C426_21 1.544(9) . ?
C425_21 H423_21 0.9900 . ?
C425_21 H422_21 0.9900 . ?
C426_21 H426_21 0.9777 . ?
C426_21 H424_21 0.9813 . ?
C426_21 H425_21 0.9826 . ?
C427_21 C428_21 1.535(9) . ?
C427_21 H428_21 0.9900 . ?
C427_21 H427_21 0.9900 . ?
C428_21 H431_21 0.9805 . ?
C428_21 H430_21 0.9794 . ?
C428_21 H429_21 0.9813 . ?
C429_21 C430_21 1.525(9) . ?
C429_21 H433_21 0.9900 . ?
C429_21 H432_21 0.9900 . ?
C430_21 H436_21 0.9796 . ?
C430_21 H435_21 0.9816 . ?
C430_21 H434_21 0.9802 . ?
Ni5_22 N41_22 1.967(5) . ?
Ni5_22 N42_22 1.969(5) . ?
Ni5_22 N44_22 1.970(5) . ?
Ni5_22 N43_22 1.972(5) . ?
N41_22 C434_22 1.377(7) . ?
N41_22 C431_22 1.380(7) . ?
N42_22 C436_22 1.368(7) . ?
N42_22 C439_22 1.377(7) . ?
N43_22 C444_22 1.375(7) . ?
N43_22 C441_22 1.380(7) . ?
N44_22 C446_22 1.361(7) . ?
N44_22 C449_22 1.386(7) . ?
C431_22 C450_22 1.380(8) . ?
C431_22 C432_22 1.450(8) . ?
C432_22 C433_22 1.364(9) . ?
C432_22 C451_22 1.502(8) . ?
C433_22 C434_22 1.438(8) . ?
C433_22 C453_22 1.504(8) . ?
C434_22 C435_22 1.380(8) . ?
C435_22 C436_22 1.395(8) . ?
C435_22 H481_22 0.9500 . ?
C436_22 C437_22 1.435(8) . ?
C437_22 C438_22 1.353(8) . ?
C437_22 C455_22 1.506(8) . ?
C438_22 C439_22 1.442(8) . ?
C438_22 C457_22 1.502(8) . ?
C439_22 C440_22 1.379(8) . ?
C440_22 C441_22 1.386(8) . ?
C440_22 H482_22 0.9500 . ?
C441_22 C442_22 1.447(8) . ?
C442_22 C443_22 1.353(9) . ?
C442_22 C459_22 1.500(8) . ?
C443_22 C444_22 1.458(8) . ?
C443_22 C461_22 1.490(8) . ?
C444_22 C445_22 1.371(8) . ?
C445_22 C446_22 1.384(8) . ?
C445_22 H483_22 0.9500 . ?
C446_22 C447_22 1.441(8) . ?
C447_22 C448_22 1.371(9) . ?
C447_22 C463_22 1.508(8) . ?
C448_22 C449_22 1.445(9) . ?
C448_22 C465_22 1.493(8) . ?
C449_22 C450_22 1.386(8) . ?
C450_22 H484_22 0.9500 . ?
C451_22 C452_22 1.523(9) . ?
C451_22 H442_22 0.9900 . ?
C451_22 H441_22 0.9900 . ?
C452_22 H445_22 0.9809 . ?
C452_22 H444_22 0.9808 . ?
C452_22 H443_22 0.9801 . ?
C453_22 C454_22 1.537(8) . ?
C453_22 H447_22 0.9900 . ?
C453_22 H446_22 0.9900 . ?
C454_22 H450_22 0.9794 . ?
C454_22 H449_22 0.9797 . ?
C454_22 H448_22 0.9784 . ?
C455_22 C456_22 1.543(9) . ?
C455_22 H452_22 0.9900 . ?
C455_22 H451_22 0.9900 . ?
C456_22 H455_22 0.9804 . ?
C456_22 H454_22 0.9801 . ?
C456_22 H453_22 0.9791 . ?
C457_22 C458_22 1.531(9) . ?
C457_22 H457_22 0.9900 . ?
C457_22 H456_22 0.9900 . ?
C458_22 H460_22 0.9818 . ?
C458_22 H459_22 0.9814 . ?
C458_22 H458_22 0.9766 . ?
C459_22 C460_22 1.537(10) . ?
C459_22 H462_22 0.9900 . ?
C459_22 H461_22 0.9900 . ?
C460_22 H465_22 0.9802 . ?
C460_22 H464_22 0.9792 . ?
C460_22 H463_22 0.9810 . ?
C461_22 C462_22 1.536(9) . ?
C461_22 H467_22 0.9900 . ?
C461_22 H466_22 0.9900 . ?
C462_22 H470_22 0.9805 . ?
C462_22 H469_22 0.9794 . ?
C462_22 H468_22 0.9809 . ?
C463_22 C464_22 1.527(9) . ?
C463_22 H472_22 0.9900 . ?
C463_22 H471_22 0.9900 . ?
C464_22 H475_22 0.9797 . ?
C464_22 H474_22 0.9808 . ?
C464_22 H473_22 0.9824 . ?
C465_22 C466_22 1.532(9) . ?
C465_22 H477_22 0.9900 . ?
C465_22 H476_22 0.9900 . ?
C466_22 H480_22 0.9791 . ?
C466_22 H479_22 0.9803 . ?
C466_22 H478_22 0.9799 . ?
Ni6_23 N46_23 1.960(5) . ?
Ni6_23 N47_23 1.968(5) . ?
Ni6_23 N48_23 1.974(5) . ?
Ni6_23 N45_23 1.975(5) . ?
N45_23 C469_23 1.361(7) . ?
N45_23 C486_23 1.377(7) . ?
N46_23 C471_23 1.378(7) . ?
N46_23 C474_23 1.379(7) . ?
N47_23 C476_23 1.383(7) . ?
N47_23 C479_23 1.388(7) . ?
N48_23 C481_23 1.366(7) . ?
N48_23 C484_23 1.382(7) . ?
C467_23 C468_23 1.356(9) . ?
C467_23 C486_23 1.445(8) . ?
C467_23 C487_23 1.506(8) . ?
C468_23 C469_23 1.447(8) . ?
C468_23 C489_23 1.506(8) . ?
C469_23 C470_23 1.383(8) . ?
C470_23 C471_23 1.388(8) . ?
C470_23 H525_23 0.9500 . ?
C471_23 C472_23 1.432(8) . ?
C472_23 C473_23 1.368(8) . ?
C472_23 C491_23 1.515(8) . ?
C473_23 C474_23 1.443(8) . ?
C473_23 C493_23 1.490(8) . ?
C474_23 C475_23 1.392(8) . ?
C475_23 C476_23 1.388(8) . ?
C475_23 H526_23 0.9500 . ?
C476_23 C477_23 1.442(8) . ?
C477_23 C478_23 1.359(8) . ?
C477_23 C495_23 1.508(8) . ?
C478_23 C479_23 1.440(8) . ?
C478_23 C497_23 1.508(8) . ?
C479_23 C480_23 1.365(8) . ?
C480_23 C481_23 1.394(8) . ?
C480_23 H527_23 0.9500 . ?
C481_23 C482_23 1.448(8) . ?
C482_23 C483_23 1.354(8) . ?
C482_23 C499_23 1.500(8) . ?
C483_23 C484_23 1.461(8) . ?
C483_23 C501_23 1.500(8) . ?
C484_23 C485_23 1.374(8) . ?
C485_23 C486_23 1.379(8) . ?
C485_23 H528_23 0.9500 . ?
C487_23 C488_23 1.521(10) . ?
C487_23 H486_23 0.9900 . ?
C487_23 H485_23 0.9900 . ?
C488_23 H489_23 0.9804 . ?
C488_23 H488_23 0.9832 . ?
C488_23 H487_23 0.9776 . ?
C489_23 C490_23 1.547(9) . ?
C489_23 H491_23 0.9900 . ?
C489_23 H490_23 0.9900 . ?
C490_23 H494_23 0.9801 . ?
C490_23 H493_23 0.9803 . ?
C490_23 H492_23 0.9796 . ?
C491_23 C492_23 1.524(9) . ?
C491_23 H496_23 0.9900 . ?
C491_23 H495_23 0.9900 . ?
C492_23 H499_23 0.9797 . ?
C492_23 H498_23 0.9796 . ?
C492_23 H497_23 0.9809 . ?
C493_23 C494_23 1.524(9) . ?
C493_23 H501_23 0.9900 . ?
C493_23 H500_23 0.9900 . ?
C494_23 H504_23 0.9796 . ?
C494_23 H503_23 0.9799 . ?
C494_23 H502_23 0.9801 . ?
C495_23 C496_23 1.518(8) . ?
C495_23 H506_23 0.9900 . ?
C495_23 H505_23 0.9900 . ?
C496_23 H509_23 0.9821 . ?
C496_23 H508_23 0.9797 . ?
C496_23 H507_23 0.9804 . ?
C497_23 C498_23 1.543(8) . ?
C497_23 H511_23 0.9900 . ?
C497_23 H510_23 0.9900 . ?
C498_23 H514_23 0.9797 . ?
C498_23 H513_23 0.9807 . ?
C498_23 H512_23 0.9795 . ?
C499_23 C500_23 1.533(9) . ?
C499_23 H516_23 0.9900 . ?
C499_23 H515_23 0.9900 . ?
C500_23 H519_23 0.9792 . ?
C500_23 H518_23 0.9800 . ?
C500_23 H517_23 0.9815 . ?
C501_23 C502_23 1.533(10) . ?
C501_23 H521_23 0.9900 . ?
C501_23 H520_23 0.9900 . ?
C502_23 H524_23 0.9791 . ?
C502_23 H523_23 0.9784 . ?
C502_23 H522_23 0.9806 . ?
C503 C509 1.391(10) . ?
C503 C504 1.398(10) . ?
C503 C510 1.491(10) . ?
C504 C505 1.393(10) . ?
C504 H50A 0.9500 . ?
C505 C506 1.391(10) . ?
C505 H50B 0.9500 . ?
C506 C508 1.397(10) . ?
C506 C507 1.487(10) . ?
C507 H50C 0.9792 . ?
C507 H50D 0.9803 . ?
C507 H50E 0.9799 . ?
C508 C509 1.386(10) . ?
C508 H50F 0.9500 . ?
C509 H50G 0.9500 . ?
C510 H51A 0.9801 . ?
C510 H51B 0.9800 . ?
C510 H51C 0.9802 . ?
C511 C512 1.399(10) . ?
C511 C517 1.406(10) . ?
C511 C518 1.493(11) . ?
C512 C513 1.372(11) . ?
C512 H51D 0.9500 . ?
C513 C514 1.412(10) . ?
C513 H51E 0.9500 . ?
C514 C516 1.378(10) . ?
C514 C515 1.501(11) . ?
C515 H51F 0.9804 . ?
C515 H51G 0.9793 . ?
C515 H51H 0.9802 . ?
C516 C517 1.396(11) . ?
C516 H51I 0.9500 . ?
C517 H51J 0.9500 . ?
C518 H51K 0.9803 . ?
C518 H51L 0.9811 . ?
C518 H51M 0.9800 . ?
C519 C525 1.383(11) . ?
C519 C520 1.389(11) . ?
C519 C526 1.517(13) . ?
C520 C521 1.372(12) . ?
C520 H52A 0.9500 . ?
C521 C522 1.406(11) . ?
C521 H52B 0.9500 . ?
C522 C524 1.375(11) . ?
C522 C523 1.498(12) . ?
C523 H52C 0.9783 . ?
C523 H52D 0.9805 . ?
C523 H52E 0.9801 . ?
C524 C525 1.412(11) . ?
C524 H52F 0.9500 . ?
C525 H52G 0.9500 . ?
C526 H52H 0.9795 . ?
C526 H52I 0.9794 . ?
C526 H52J 0.9811 . ?
C527 C533 1.393(10) . ?
C527 C528 1.400(10) . ?
C527 C534 1.489(11) . ?
C528 C529 1.384(11) . ?
C528 H52K 0.9500 . ?
C529 C530 1.391(10) . ?
C529 H52L 0.9500 . ?
C530 C532 1.388(10) . ?
C530 C531 1.506(11) . ?
C531 H53A 0.9820 . ?
C531 H53B 0.9780 . ?
C531 H53C 0.9813 . ?
C532 C533 1.387(11) . ?
C532 H53D 0.9500 . ?
C533 H53E 0.9500 . ?
C534 H53F 0.9793 . ?
C534 H53G 0.9794 . ?
C534 H53H 0.9806 . ?
C535 C536 1.371(12) . ?
C535 C541 1.386(11) . ?
C535 C542 1.514(13) . ?
C536 C537 1.407(13) . ?
C536 H53I 0.9500 . ?
C537 C538 1.375(11) . ?
C537 H53J 0.9500 . ?
C538 C540 1.394(11) . ?
C538 C539 1.503(12) . ?
C539 H53K 0.9798 . ?
C539 H53L 0.9806 . ?
C539 H53M 0.9787 . ?
C540 C541 1.391(11) . ?
C540 H54A 0.9500 . ?
C541 H54B 0.9500 . ?
C542 H54C 0.9805 . ?
C542 H54D 0.9836 . ?
C542 H54E 0.9811 . ?
C543 C549 1.393(9) . ?
C543 C544 1.397(10) . ?
C543 C550 1.485(11) . ?
C544 C545 1.376(10) . ?
C544 H54F 0.9500 . ?
C545 C546 1.395(10) . ?
C545 H54G 0.9500 . ?
C546 C548 1.409(10) . ?
C546 C547 1.508(11) . ?
C547 H54H 0.9789 . ?
C547 H54I 0.9807 . ?
C547 H54J 0.9788 . ?
C548 C549 1.385(11) . ?
C548 H54K 0.9500 . ?
C549 H54L 0.9500 . ?
C550 H55A 0.9808 . ?
C550 H55B 0.9796 . ?
C550 H55C 0.9816 . ?
C551 C552 1.375(12) . ?
C551 C557 1.404(11) . ?
C551 C558 1.505(14) . ?
C552 C553 1.380(12) . ?
C552 H55D 0.9500 . ?
C553 C554 1.396(11) . ?
C553 H55E 0.9500 . ?
C554 C556 1.395(12) . ?
C554 C555 1.496(13) . ?
C555 H55F 0.9784 . ?
C555 H55G 0.9813 . ?
C555 H55H 0.9804 . ?
C556 C557 1.368(12) . ?
C556 H55I 0.9500 . ?
C557 H55J 0.9500 . ?
C558 H55K 0.9800 . ?
C558 H55L 0.9817 . ?
C558 H55M 0.9807 . ?
C559 C560 1.395(10) . ?
C559 C565 1.395(10) . ?
C559 C566 1.501(11) . ?
C560 C561 1.386(11) . ?
C560 H56A 0.9500 . ?
C561 C562 1.407(10) . ?
C561 H56B 0.9500 . ?
C562 C563 1.387(11) . ?
C562 C564 1.511(11) . ?
C563 C565 1.380(11) . ?
C563 H56C 0.9500 . ?
C564 H56D 0.9800 . ?
C564 H56E 0.9800 . ?
C564 H56F 0.9790 . ?
C565 H56G 0.9500 . ?
C566 H56H 0.9798 . ?
C566 H56I 0.9805 . ?
C566 H56J 0.9800 . ?
C567 C573 1.378(12) . ?
C567 C568 1.381(11) . ?
C567 C574 1.505(12) . ?
C568 C569 1.391(12) . ?
C568 H56K 0.9500 . ?
C569 C570 1.389(11) . ?
C569 H56L 0.9500 . ?
C570 C572 1.371(11) . ?
C570 C571 1.512(12) . ?
C571 H57A 0.9812 . ?
C571 H57B 0.9819 . ?
C571 H57C 0.9835 . ?
C572 C573 1.380(12) . ?
C572 H57D 0.9500 . ?
C573 H57E 0.9500 . ?
C574 H57F 0.9789 . ?
C574 H57G 0.9807 . ?
C574 H57H 0.9835 . ?
C575 C576 1.360(11) . ?
C575 C581 1.403(12) . ?
C575 C582 1.505(13) . ?
C576 C577 1.389(12) . ?
C576 H57I 0.9500 . ?
C577 C578 1.383(11) . ?
C577 H57J 0.9500 . ?
C578 C580 1.374(11) . ?
C578 C579 1.524(13) . ?
C579 H57K 0.9821 . ?
C579 H57L 0.9804 . ?
C579 H57M 0.9796 . ?
C580 C581 1.372(12) . ?
C580 H58A 0.9500 . ?
C581 H58B 0.9500 . ?
C582 H58C 0.9786 . ?
C582 H58D 0.9842 . ?
C582 H58E 0.9772 . ?
C583 C584 1.392(10) . ?
C583 C589 1.399(10) . ?
C583 C590 1.502(11) . ?
C584 C585 1.382(11) . ?
C584 H58F 0.9500 . ?
C585 C586 1.412(10) . ?
C585 H58G 0.9500 . ?
C586 C588 1.388(10) . ?
C586 C587 1.496(11) . ?
C587 H58H 0.9803 . ?
C587 H58I 0.9800 . ?
C587 H58J 0.9797 . ?
C588 C589 1.375(11) . ?
C588 H58K 0.9500 . ?
C589 H58L 0.9500 . ?
C590 H59A 0.9805 . ?
C590 H59B 0.9806 . ?
C590 H59C 0.9797 . ?
C591 C597 1.395(11) . ?
C591 C592 1.400(14) . ?
C591 C598 1.501(14) . ?
C592 C593 1.378(15) . ?
C592 H59D 0.9500 . ?
C593 C594 1.372(14) . ?
C593 H59E 0.9500 . ?
C594 C596 1.396(11) . ?
C594 C595 1.515(14) . ?
C595 H59F 0.9800 . ?
C595 H59G 0.9800 . ?
C595 H59H 0.9800 . ?
C596 C597 1.376(12) . ?
C596 H59I 0.9500 . ?
C597 H59J 0.9500 . ?
C598 H59K 0.9801 . ?
C598 H59L 0.9815 . ?
C598 H59M 0.9819 . ?
C599 C605 1.379(11) . ?
C599 C600 1.394(11) . ?
C599 C606 1.509(13) . ?
C600 C601 1.408(12) . ?
C600 H60A 0.9500 . ?
C601 C602 1.386(11) . ?
C601 H60B 0.9500 . ?
C602 C604 1.376(11) . ?
C602 C603 1.504(12) . ?
C603 H60C 0.9812 . ?
C603 H60D 0.9792 . ?
C603 H60E 0.9794 . ?
C604 C605 1.385(12) . ?
C604 H60F 0.9500 . ?
C605 H60G 0.9500 . ?
C606 H60H 0.9789 . ?
C606 H60I 0.9810 . ?
C606 H60J 0.9791 . ?
C607 C608 1.391(10) . ?
C607 C613 1.392(10) . ?
C607 C614 1.525(10) . ?
C608 C609 1.395(11) . ?
C608 H60K 0.9500 . ?
C609 C610 1.379(11) . ?
C609 H60L 0.9500 . ?
C610 C612 1.393(10) . ?
C610 C611 1.491(11) . ?
C611 H61A 0.9790 . ?
C611 H61B 0.9801 . ?
C611 H61C 0.9827 . ?
C612 C613 1.386(10) . ?
C612 H61D 0.9500 . ?
C613 H61E 0.9500 . ?
C614 H61F 0.9791 . ?
C614 H61G 0.9819 . ?
C614 H61H 0.9799 . ?
C615 C621 1.383(12) . ?
C615 C616 1.386(13) . ?
C615 C622 1.538(16) . ?
C616 C617 1.381(14) . ?
C616 H61I 0.9500 . ?
C617 C618 1.366(12) . ?
C617 H61J 0.9500 . ?
C618 C620 1.394(13) . ?
C618 C619 1.490(15) . ?
C619 H61K 0.9795 . ?
C619 H61L 0.9800 . ?
C619 H61M 0.9820 . ?
C620 C621 1.380(13) . ?
C620 H62A 0.9500 . ?
C621 H62B 0.9500 . ?
C622 H62C 0.9821 . ?
C622 H62D 0.9788 . ?
C622 H62E 0.9849 . ?
C623 C629 1.388(10) . ?
C623 C624 1.405(10) . ?
C623 C630 1.494(11) . ?
C624 C625 1.384(10) . ?
C624 H62F 0.9500 . ?
C625 C626 1.368(9) . ?
C625 H62G 0.9500 . ?
C626 C628 1.392(10) . ?
C626 C627 1.519(10) . ?
C627 H62H 0.9804 . ?
C627 H62I 0.9796 . ?
C627 H62J 0.9830 . ?
C628 C629 1.385(10) . ?
C628 H62K 0.9500 . ?
C629 H62L 0.9500 . ?
C630 H63A 0.9841 . ?
C630 H63B 0.9828 . ?
C630 H63C 0.9780 . ?
C631 C637 1.380(12) . ?
C631 C632 1.393(11) . ?
C631 C638 1.488(13) . ?
C632 C633 1.385(12) . ?
C632 H63D 0.9500 . ?
C633 C634 1.398(11) . ?
C633 H63E 0.9500 . ?
C634 C636 1.386(13) . ?
C634 C635 1.501(14) . ?
C635 H63F 0.9782 . ?
C635 H63G 0.9822 . ?
C635 H63H 0.9821 . ?
C636 C637 1.376(14) . ?
C636 H63I 0.9500 . ?
C637 H63J 0.9500 . ?
C638 H63K 0.9813 . ?
C638 H63L 0.9821 . ?
C638 H63M 0.9806 . ?
C639 C645 1.392(11) . ?
C639 C640 1.408(11) . ?
C639 C646 1.483(12) . ?
C640 C641 1.376(10) . ?
C640 H640 0.9500 . ?
C641 C642 1.386(11) . ?
C641 H641 0.9500 . ?
C642 C644 1.381(12) . ?
C642 C643 1.504(12) . ?
C643 H64A 0.9800 . ?
C643 H64B 0.9800 . ?
C643 H64C 0.9800 . ?
C644 C645 1.349(12) . ?
C644 H644 0.9500 . ?
C645 H645 0.9500 . ?
C646 H64D 0.9800 . ?
C646 H64E 0.9800 . ?
C646 H64F 0.9800 . ?
