#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:30:31 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179582 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/47/4504731.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_4504731
loop_
_publ_author_name
'Cunha-Silva, Luis'
'Westcott, Aleema'
'Whitford, Nina'
'Hardie, Michaele J.'
_publ_section_title
;
 Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and
 4,4‘-Bipyridine with Carbaborane Anions
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              726
_journal_paper_doi               10.1021/cg050504e
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C274 H531 B216 Co12 Gd3 N42 O32'
_chemical_formula_weight         8440.28
_chemical_name_systematic
; 
hexaaquobis(4,4'-bipyridine)gadolinium(III) heptaaquo-4,4'-bipyridinegadolinium(III)  
cobalt(III) bis(dicarbollide) hydrate 4,4-bipyridine mono-protonated 4,4-bipyridine
ethanol clathrate

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.360(1)
_cell_angle_beta                 95.380(10)
_cell_angle_gamma                94.850(10)
_cell_formula_units_Z            2
_cell_length_a                   13.6324(1)
_cell_length_b                   25.8631(2)
_cell_length_c                   54.1286(4)
_cell_measurement_temperature    150(2)
_cell_volume                     18753.5(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.483
_diffrn_measured_fraction_theta_max 0.483
_diffrn_measurement_device_type  CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1092
_diffrn_reflns_av_sigmaI/netI    0.1391
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       66
_diffrn_reflns_limit_l_min       -64
_diffrn_reflns_number            109739
_diffrn_reflns_theta_full        28.23
_diffrn_reflns_theta_max         28.23
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    1.107
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             8642
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.599
_refine_diff_density_min         -1.165
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2470
_refine_ls_number_reflns         44768
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1604
_refine_ls_R_factor_gt           0.0875
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1117P)²+149.6250P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2103
_refine_ls_wR_factor_ref         0.2534
_reflns_number_gt                26179
_reflns_number_total             44768
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg050504esi20051209_114101.cif
_cod_data_source_block           c:
_cod_original_cell_volume        18753.5(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4504731
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Gd1 Gd 0.79865(5) 0.27646(2) 0.491239(14) 0.0288(2) Uani 1 1 d .
Gd2 Gd 0.49354(4) 0.055744(19) 0.168108(13) 0.01902(18) Uani 1 1 d .
Gd3 Gd -0.02021(4) 0.558144(19) 0.171176(12) 0.01749(17) Uani 1 1 d .
Co1 Co 0.07573(11) 0.42488(6) 0.38655(3) 0.0215(4) Uani 1 1 d .
Co2 Co 0.57942(11) 0.45541(7) 0.38716(4) 0.0315(5) Uani 1 1 d .
Co3 Co 0.27829(11) 0.36108(6) 0.27956(3) 0.0231(4) Uani 1 1 d .
Co4 Co 0.77448(11) 0.38904(5) 0.27951(3) 0.0197(4) Uani 1 1 d .
Co5 Co 0.40505(10) 0.30307(6) 0.05525(3) 0.0212(4) Uani 1 1 d .
Co6 Co 0.89125(10) 0.25503(5) 0.05650(3) 0.0188(4) Uani 1 1 d .
Co7 Co 0.06422(11) 0.96999(6) 0.38616(3) 0.0238(4) Uani 1 1 d .
Co8 Co 0.55719(12) 0.91673(6) 0.38341(4) 0.0294(5) Uani 1 1 d .
Co9 Co 0.25254(11) 0.88415(5) 0.27731(3) 0.0189(4) Uani 1 1 d .
Co10 Co 0.75575(11) 0.85291(6) 0.27525(3) 0.0220(4) Uani 1 1 d .
Co11 Co 0.39272(10) 0.75492(5) 0.05505(3) 0.0180(4) Uani 1 1 d .
Co12 Co 0.89983(10) 0.80073(5) 0.05159(3) 0.0165(4) Uani 1 1 d .
O1 O 0.6727(7) 0.2128(3) 0.48149(18) 0.046(3) Uani 1 1 d .
O2 O 0.8510(7) 0.2155(3) 0.5148(2) 0.057(3) Uani 1 1 d .
O3 O 0.7917(6) 0.3023(3) 0.53422(16) 0.033(2) Uani 1 1 d .
O4 O 0.6429(6) 0.3091(3) 0.49282(16) 0.031(2) Uani 1 1 d .
O5 O 0.9720(6) 0.3015(3) 0.5053(2) 0.056(3) Uani 1 1 d .
O6 O 0.8926(6) 0.2278(3) 0.46437(18) 0.045(3) Uani 1 1 d .
O7 O 0.7394(6) 0.2822(3) 0.44798(17) 0.037(2) Uani 1 1 d .
O8 O 0.4404(6) 0.1324(3) 0.17558(17) 0.035(2) Uiso 1 1 d .
O9 O 0.4291(5) 0.0632(3) 0.20939(15) 0.024(2) Uani 1 1 d .
O10 O 0.4851(5) -0.0165(2) 0.18512(15) 0.024(2) Uani 1 1 d .
O11 O 0.5961(5) 0.0035(2) 0.14715(15) 0.020(2) Uani 1 1 d .
O12 O 0.3186(5) 0.0346(2) 0.16200(16) 0.024(2) Uani 1 1 d .
O13 O 0.6042(5) 0.1039(2) 0.14769(16) 0.027(2) Uani 1 1 d .
O14 O -0.0234(5) 0.4880(2) 0.19052(16) 0.025(2) Uani 1 1 d .
O15 O 0.0780(5) 0.5049(2) 0.14941(15) 0.020(2) Uani 1 1 d .
O16 O 0.0874(5) 0.6069(2) 0.14992(15) 0.020(2) Uani 1 1 d .
O17 O -0.1925(5) 0.5341(2) 0.16639(16) 0.023(2) Uani 1 1 d .
O18 O -0.0947(5) 0.6307(2) 0.17450(16) 0.029(2) Uani 1 1 d .
O19 O -0.0705(5) 0.5720(3) 0.21396(16) 0.026(2) Uani 1 1 d .
O20 O 1.0796(9) 0.2236(5) 0.4811(3) 0.102(4) Uiso 1 1 d .
H20A H 1.0823 0.2388 0.4959 0.122 Uiso 1 1 calc R
O21 O 0.3472(8) 0.1579(5) 0.2174(2) 0.097(4) Uiso 1 1 d D
H21B H 0.3891 0.1605 0.2071 0.117 Uiso 1 1 calc R
O22 O 0.2016(6) 0.0893(3) 0.14067(17) 0.040(2) Uiso 1 1 d .
H22A H 0.2442 0.0989 0.1315 0.048 Uiso 1 1 calc R
O23 O 0.6853(5) 0.0443(3) 0.11152(16) 0.0264(19) Uiso 1 1 d .
H23A H 0.6673 0.0519 0.1259 0.032 Uiso 1 1 calc R
O24 O 0.7955(10) 0.7046(5) 0.4565(3) 0.113(5) Uiso 1 1 d .
H24A H 0.7507 0.6885 0.4459 0.135 Uiso 1 1 calc R
O25 O 0.3363(8) 0.7003(5) 0.4318(3) 0.011(3) Uiso 0.50 1 d PD
H25A H 0.3074 0.6743 0.4369 0.013 Uiso 0.50 1 calc PR
O26 O 0.1644(5) 0.5464(3) 0.11392(16) 0.0239(19) Uiso 1 1 d .
H26A H 0.1419 0.5573 0.1008 0.029 Uiso 1 1 calc R
O28 O 0.7291(10) 0.2032(6) 0.5600(3) 0.036(4) Uiso 0.50 1 d PD
H28 H 0.7797 0.2112 0.5530 0.043 Uiso 0.50 1 calc PR
O29 O 0.4568(7) 0.2688(4) 0.4913(2) 0.063(3) Uiso 1 1 d .
O30 O 0.8490(6) 0.2370(3) 0.41561(18) 0.049(3) Uiso 1 1 d .
O31 O 0.5643(6) 0.5724(3) 0.19609(17) 0.034(2) Uiso 1 1 d .
O32 O -0.2478(6) 0.6168(3) 0.20818(17) 0.034(2) Uiso 1 1 d .
O33 O 1.0522(7) 1.0659(4) 0.1928(2) 0.069(3) Uiso 1 1 d .
O274 O 0.6917(6) 0.5822(3) 0.14017(17) 0.035(2) Uiso 1 1 d .
H27F H 0.7216 0.5900 0.1281 0.042 Uiso 1 1 calc R
N1 N 0.1246(8) -0.1259(4) 0.5008(3) 0.043(3) Uiso 1 1 d .
N2 N 0.1374(7) 0.1233(4) 0.5249(2) 0.038(3) Uiso 1 1 d .
N3 N 0.3745(9) -0.0723(5) 0.4862(3) 0.069(4) Uiso 1 1 d .
N6 N 0.2038(7) 0.1609(3) 0.3299(2) 0.024(2) Uiso 1 1 d .
H6A H 0.1608 0.1539 0.3164 0.029 Uiso 1 1 calc R
N7 N 0.7676(8) 0.1849(4) 0.3759(2) 0.045(3) Uiso 1 1 d D
N8 N 0.5094(7) 0.0971(3) 0.2545(2) 0.030(2) Uiso 1 1 d D
N10 N 0.6455(6) 0.0783(3) 0.20059(19) 0.023(2) Uiso 1 1 d .
N11 N 0.4341(6) 0.0451(3) 0.1214(2) 0.026(2) Uiso 1 1 d .
N12 N 0.0819(7) 0.0075(4) 0.0156(2) 0.038(3) Uiso 1 1 d .
H12 H 0.0354 0.0018 0.0028 0.046 Uiso 0.50 1 calc PR
N13 N 0.6109(7) 0.0289(4) 0.0632(2) 0.028(2) Uiso 1 1 d .
N14 N 0.3567(7) 0.3513(4) 0.4892(2) 0.042(3) Uiso 1 1 d .
N15 N 0.3829(7) 0.5980(4) 0.4917(2) 0.027(2) Uiso 1 1 d .
N16 N 0.8358(7) 0.3665(4) 0.4890(2) 0.030(2) Uiso 1 1 d .
N17 N 0.9148(7) 0.6135(4) 0.4886(2) 0.030(3) Uiso 1 1 d .
N18 N 0.1979(6) 0.1858(3) 0.1480(2) 0.024(2) Uiso 1 1 d .
N19 N 0.1868(6) 0.4327(3) 0.16026(19) 0.018(2) Uiso 1 1 d .
N20 N 0.4611(6) 0.2257(3) 0.1719(2) 0.019(2) Uiso 1 1 d .
N21 N 0.4971(7) 0.4749(3) 0.1838(2) 0.026(2) Uiso 1 1 d .
N22 N 0.9723(7) 0.1486(4) 0.1803(2) 0.034(3) Uiso 1 1 d .
N23 N 0.9729(6) 0.3957(3) 0.1822(2) 0.020(2) Uiso 1 1 d .
N24 N 0.6828(6) 0.1942(3) 0.1561(2) 0.021(2) Uiso 1 1 d .
N25 N 0.7346(6) 0.4413(3) 0.1587(2) 0.021(2) Uiso 1 1 d .
N26 N 1.0975(7) 0.5320(4) 0.0646(2) 0.033(3) Uiso 1 1 d .
N27 N 0.2541(8) 0.6869(4) 0.3829(2) 0.053(3) Uiso 1 1 d .
N28 N 0.0216(7) 0.6024(3) 0.2598(2) 0.027(2) Uiso 1 1 d .
N29 N 1.0544(7) 0.7079(4) 0.4329(2) 0.037(3) Uiso 1 1 d .
N30 N 0.6958(6) 0.6574(3) 0.32963(19) 0.023(2) Uiso 1 1 d .
H30A H 0.6508 0.6493 0.3166 0.027 Uiso 1 1 calc R
N31 N 0.5485(7) 0.6365(3) 0.2930(2) 0.028(2) Uiso 1 1 d .
N32 N 0.1368(6) 0.5789(3) 0.20115(18) 0.018(2) Uiso 1 1 d .
N33 N -0.0812(6) 0.5461(3) 0.1246(2) 0.024(2) Uiso 1 1 d .
N34 N -0.4168(7) 0.5073(4) 0.0155(2) 0.036(3) Uiso 1 1 d .
H34 H -0.4656 0.5008 0.0034 0.044 Uiso 0.50 1 calc PR
N35 N 0.4539(7) 0.6463(3) 0.1816(2) 0.026(2) Uiso 1 1 d .
N36 N 0.4642(6) 0.8910(3) 0.17621(19) 0.018(2) Uiso 1 1 d .
N37 N 0.1624(6) 0.6966(3) 0.1541(2) 0.021(2) Uiso 1 1 d .
N38 N 0.2375(6) 0.9440(3) 0.15545(19) 0.019(2) Uiso 1 1 d .
N39 N 0.6821(6) 0.6777(3) 0.1469(2) 0.025(2) Uiso 1 1 d .
N40 N 0.6867(6) 0.9257(3) 0.1565(2) 0.020(2) Uiso 1 1 d .
N41 N 0.9366(6) 0.7217(3) 0.1703(2) 0.023(2) Uiso 1 1 d .
N42 N 0.9850(7) 0.9711(3) 0.1793(2) 0.026(2) Uiso 1 1 d .
C1 C 0.1308(10) -0.1029(5) 0.5238(3) 0.051(4) Uiso 1 1 d .
H300 H 0.1332 -0.1238 0.5370 0.062 Uiso 1 1 calc R
C2 C 0.1336(9) -0.0554(5) 0.5291(3) 0.042(4) Uiso 1 1 d .
H291 H 0.1386 -0.0391 0.5460 0.051 Uiso 1 1 calc R
C3 C 0.1291(9) -0.0274(5) 0.5099(3) 0.034(3) Uiso 1 1 d .
C4 C 0.1227(9) -0.0518(5) 0.4862(3) 0.037(3) Uiso 1 1 d .
H289 H 0.1196 -0.0315 0.4728 0.045 Uiso 1 1 calc R
C5 C 0.1207(9) -0.1009(5) 0.4814(3) 0.047(4) Uiso 1 1 d .
H328 H 0.1165 -0.1184 0.4647 0.057 Uiso 1 1 calc R
C6 C 0.1499(9) 0.0972(5) 0.5428(3) 0.042(4) Uiso 1 1 d .
H292 H 0.1616 0.1146 0.5595 0.051 Uiso 1 1 calc R
C7 C 0.1467(9) 0.0483(5) 0.5387(3) 0.045(4) Uiso 1 1 d .
H290 H 0.1540 0.0281 0.5521 0.053 Uiso 1 1 calc R
C8 C 0.1327(9) 0.0250(5) 0.5145(3) 0.031(3) Uiso 1 1 d .
C9 C 0.1210(8) 0.0521(4) 0.4956(3) 0.030(3) Uiso 1 1 d .
H123 H 0.1109 0.0357 0.4787 0.036 Uiso 1 1 calc R
C10 C 0.1239(9) 0.1007(5) 0.5012(3) 0.037(3) Uiso 1 1 d .
H118 H 0.1162 0.1220 0.4882 0.045 Uiso 1 1 calc R
N4 N 0.3821(6) 0.1817(3) 0.4965(2) 0.080(4) Uiso 1 1 d G
C11 C 0.3937(7) 0.1573(3) 0.51785(18) 0.094(6) Uiso 1 1 d G
H11 H 0.4045 0.1777 0.5339 0.113 Uiso 1 1 calc R
C12 C 0.3897(7) 0.1030(3) 0.51571(15) 0.057(4) Uiso 1 1 d G
H398 H 0.3976 0.0863 0.5303 0.068 Uiso 1 1 calc R
C13 C 0.3740(5) 0.0731(3) 0.49220(16) 0.059(4) Uiso 1 1 d G
C14 C 0.3624(6) 0.0975(3) 0.47082(15) 0.080(5) Uiso 1 1 d G
H14 H 0.3516 0.0770 0.4548 0.096 Uiso 1 1 calc R
C15 C 0.3664(8) 0.1518(3) 0.47296(19) 0.117(7) Uiso 1 1 d G
H384 H 0.3585 0.1684 0.4583 0.140 Uiso 1 1 calc R
C16 C 0.3699(10) -0.0560(3) 0.4653(3) 0.076(5) Uiso 1 1 d G
H269 H 0.3661 -0.0786 0.4499 0.091 Uiso 1 1 calc R
C17 C 0.3709(11) -0.0020(6) 0.4668(3) 0.062(4) Uiso 1 1 d .
H270 H 0.3696 0.0157 0.4524 0.074 Uiso 1 1 calc R
C18 C 0.3740(9) 0.0226(5) 0.4899(3) 0.033(3) Uiso 1 1 d .
C19 C 0.3777(10) 0.0027(6) 0.5109(3) 0.052(4) Uiso 1 1 d .
H380 H 0.3810 0.0241 0.5267 0.062 Uiso 1 1 calc R
C20 C 0.3767(10) -0.0477(5) 0.5093(3) 0.050(4) Uiso 1 1 d .
H381 H 0.3774 -0.0657 0.5236 0.059 Uiso 1 1 calc R
N5 N 0.5342(5) 0.2035(3) 0.43960(14) 0.070(4) Uiso 1 1 d G
C21 C 0.5303(6) 0.1577(3) 0.42287(17) 0.096(6) Uiso 1 1 d G
H21 H 0.5712 0.1310 0.4265 0.115 Uiso 1 1 calc R
C22 C 0.4666(6) 0.1508(3) 0.40085(16) 0.076(5) Uiso 1 1 d G
H22 H 0.4639 0.1195 0.3894 0.091 Uiso 1 1 calc R
C23 C 0.4067(4) 0.1898(2) 0.39557(12) 0.039(3) Uiso 1 1 d G
C24 C 0.4106(5) 0.2356(2) 0.41231(15) 0.058(4) Uiso 1 1 d G
H24 H 0.3697 0.2622 0.4087 0.069 Uiso 1 1 calc R
C25 C 0.4744(6) 0.2424(3) 0.43432(15) 0.074(5) Uiso 1 1 d G
H25 H 0.4770 0.2738 0.4458 0.088 Uiso 1 1 calc R
C26 C 0.1797(6) 0.1883(4) 0.34993(18) 0.033(3) Uiso 1 1 d G
H383 H 0.1158 0.2004 0.3500 0.039 Uiso 1 1 calc R
C27 C 0.2464(8) 0.1996(4) 0.3709(2) 0.027(3) Uiso 1 1 d .
H382 H 0.2288 0.2205 0.3852 0.032 Uiso 1 1 calc R
C28 C 0.3375(8) 0.1816(4) 0.3715(3) 0.027(3) Uiso 1 1 d .
C29 C 0.3597(9) 0.1544(4) 0.3505(3) 0.033(3) Uiso 1 1 d .
H385 H 0.4233 0.1422 0.3498 0.039 Uiso 1 1 calc R
C30 C 0.2897(8) 0.1439(4) 0.3295(3) 0.032(3) Uiso 1 1 d .
H386 H 0.3059 0.1238 0.3148 0.038 Uiso 1 1 calc R
C31 C 0.7820(11) 0.1399(5) 0.3626(3) 0.063(5) Uiso 1 1 d D
H351 H 0.8287 0.1187 0.3692 0.075 Uiso 1 1 calc R
C32 C 0.7300(10) 0.1229(6) 0.3389(3) 0.057(4) Uiso 1 1 d D
H389 H 0.7454 0.0908 0.3302 0.068 Uiso 1 1 calc R
C33 C 0.6590(8) 0.1486(4) 0.3274(2) 0.031(3) Uiso 1 1 d D
C34 C 0.6420(12) 0.1941(6) 0.3405(3) 0.073(5) Uiso 1 1 d D
H354 H 0.5940 0.2149 0.3341 0.088 Uiso 1 1 calc R
C35 C 0.6976(11) 0.2103(7) 0.3641(3) 0.079(5) Uiso 1 1 d D
H353 H 0.6843 0.2429 0.3728 0.094 Uiso 1 1 calc R
C36 C 0.4919(9) 0.1412(5) 0.2678(3) 0.041(4) Uiso 1 1 d D
H388 H 0.4456 0.1622 0.2608 0.050 Uiso 1 1 calc R
C37 C 0.5397(9) 0.1579(5) 0.2919(3) 0.042(4) Uiso 1 1 d D
H346 H 0.5244 0.1901 0.3005 0.050 Uiso 1 1 calc R
C38 C 0.6060(7) 0.1311(4) 0.3036(2) 0.019(3) Uiso 1 1 d D
C39 C 0.6222(8) 0.0847(4) 0.2911(2) 0.030(3) Uiso 1 1 d D
H347 H 0.6655 0.0624 0.2983 0.036 Uiso 1 1 calc R
C40 C 0.5728(8) 0.0707(4) 0.2671(2) 0.030(3) Uiso 1 1 d D
H348 H 0.5860 0.0380 0.2586 0.036 Uiso 1 1 calc R
N9 N 1.0550(5) 0.1390(3) 0.29292(15) 0.028(2) Uiso 1 1 d G
C41 C 1.0628(5) 0.1033(3) 0.27188(17) 0.080(5) Uiso 1 1 d G
H41 H 1.1220 0.0868 0.2703 0.095 Uiso 1 1 calc R
C42 C 0.9841(7) 0.0917(3) 0.25315(15) 0.078(5) Uiso 1 1 d G
H42 H 0.9895 0.0673 0.2388 0.093 Uiso 1 1 calc R
C43 C 0.8975(5) 0.1159(3) 0.25548(15) 0.023(3) Uiso 1 1 d G
C44 C 0.8897(5) 0.1516(3) 0.27652(18) 0.079(5) Uiso 1 1 d G
H44 H 0.8305 0.1682 0.2781 0.095 Uiso 1 1 calc R
C45 C 0.9684(6) 0.1632(3) 0.29524(15) 0.083(6) Uiso 1 1 d G
H45 H 0.9630 0.1876 0.3096 0.099 Uiso 1 1 calc R
C46 C 0.6617(8) 0.1206(4) 0.2147(2) 0.022(3) Uiso 1 1 d .
H46 H 0.6148 0.1455 0.2132 0.027 Uiso 1 1 calc R
C47 C 0.7401(8) 0.1336(4) 0.2317(2) 0.024(3) Uiso 1 1 d .
H47 H 0.7453 0.1674 0.2413 0.029 Uiso 1 1 calc R
C48 C 0.8114(7) 0.1031(4) 0.2363(2) 0.017(3) Uiso 1 1 d .
C49 C 0.7948(8) 0.0584(4) 0.2220(2) 0.025(3) Uiso 1 1 d .
H49 H 0.8405 0.0329 0.2233 0.029 Uiso 1 1 calc R
C50 C 0.7130(8) 0.0475(4) 0.2049(2) 0.030(3) Uiso 1 1 d .
H50 H 0.7049 0.0137 0.1953 0.036 Uiso 1 1 calc R
C51 C 0.4061(8) 0.0019(4) 0.1076(2) 0.026(3) Uiso 1 1 d .
H51 H 0.4320 -0.0283 0.1129 0.031 Uiso 1 1 calc R
C52 C 0.3434(8) -0.0062(4) 0.0862(2) 0.023(3) Uiso 1 1 d .
H52 H 0.3274 -0.0409 0.0778 0.027 Uiso 1 1 calc R
C53 C 0.3039(8) 0.0330(4) 0.0768(2) 0.021(3) Uiso 1 1 d .
C54 C 0.3347(8) 0.0769(4) 0.0898(3) 0.029(3) Uiso 1 1 d .
H54 H 0.3125 0.1077 0.0843 0.034 Uiso 1 1 calc R
C55 C 0.3985(8) 0.0821(4) 0.1114(2) 0.026(3) Uiso 1 1 d .
H55 H 0.4176 0.1166 0.1196 0.031 Uiso 1 1 calc R
C56 C 0.0734(10) 0.0386(5) 0.0345(3) 0.043(4) Uiso 1 1 d .
H265 H 0.0141 0.0553 0.0353 0.052 Uiso 1 1 calc R
C57 C 0.1466(10) 0.0504(5) 0.0549(3) 0.047(4) Uiso 1 1 d .
H266 H 0.1382 0.0758 0.0686 0.057 Uiso 1 1 calc R
C58 C 0.2308(8) 0.0246(4) 0.0547(3) 0.026(3) Uiso 1 1 d .
C59 C 0.2371(9) -0.0087(4) 0.0341(3) 0.031(3) Uiso 1 1 d .
H267 H 0.2940 -0.0271 0.0326 0.037 Uiso 1 1 calc R
C60 C 0.1615(9) -0.0162(5) 0.0153(3) 0.038(3) Uiso 1 1 d .
H264 H 0.1678 -0.0405 0.0009 0.046 Uiso 1 1 calc R
C61 C 0.6277(10) -0.0097(5) 0.0480(3) 0.048(4) Uiso 1 1 d .
H262 H 0.6742 -0.0319 0.0539 0.057 Uiso 1 1 calc R
C62 C 0.5844(9) -0.0225(5) 0.0237(3) 0.040(3) Uiso 1 1 d .
H260 H 0.5995 -0.0540 0.0144 0.048 Uiso 1 1 calc R
C63 C 0.5232(7) 0.0062(4) 0.0125(2) 0.018(3) Uiso 1 1 d .
C64 C 0.5071(9) 0.0475(5) 0.0277(3) 0.038(3) Uiso 1 1 d .
H263 H 0.4629 0.0710 0.0220 0.046 Uiso 1 1 calc R
C65 C 0.5536(9) 0.0574(5) 0.0520(3) 0.039(3) Uiso 1 1 d .
H261 H 0.5415 0.0893 0.0615 0.047 Uiso 1 1 calc R
C66 C 0.3536(9) 0.3691(5) 0.4686(3) 0.045(4) Uiso 1 1 d .
H259 H 0.3488 0.3455 0.4535 0.054 Uiso 1 1 calc R
C67 C 0.3567(9) 0.4180(5) 0.4677(3) 0.037(3) Uiso 1 1 d .
H360 H 0.3532 0.4322 0.4523 0.045 Uiso 1 1 calc R
C68 C 0.3653(8) 0.4483(4) 0.4902(3) 0.024(3) Uiso 1 1 d .
C69 C 0.3640(8) 0.4277(5) 0.5113(3) 0.033(3) Uiso 1 1 d .
H362 H 0.3642 0.4496 0.5268 0.040 Uiso 1 1 calc R
C70 C 0.3624(9) 0.3789(5) 0.5107(3) 0.044(4) Uiso 1 1 d .
H363 H 0.3653 0.3632 0.5257 0.053 Uiso 1 1 calc R
C71 C 0.3907(8) 0.5783(4) 0.5124(3) 0.025(3) Uiso 1 1 d .
H359 H 0.4016 0.6013 0.5278 0.030 Uiso 1 1 calc R
C72 C 0.3846(8) 0.5307(4) 0.5130(3) 0.030(3) Uiso 1 1 d .
H361 H 0.3881 0.5163 0.5283 0.036 Uiso 1 1 calc R
C73 C 0.3725(8) 0.4999(4) 0.4902(3) 0.023(3) Uiso 1 1 d .
C74 C 0.3663(9) 0.5209(5) 0.4684(3) 0.037(3) Uiso 1 1 d .
H74 H 0.3571 0.4993 0.4526 0.044 Uiso 1 1 calc R
C75 C 0.3732(9) 0.5688(5) 0.4699(3) 0.038(3) Uiso 1 1 d .
H75 H 0.3716 0.5848 0.4550 0.046 Uiso 1 1 calc R
C76 C 0.8404(9) 0.3855(5) 0.4673(3) 0.035(3) Uiso 1 1 d .
H76 H 0.8327 0.3617 0.4522 0.042 Uiso 1 1 calc R
C77 C 0.8544(8) 0.4338(4) 0.4661(3) 0.026(3) Uiso 1 1 d .
H77 H 0.8587 0.4472 0.4506 0.031 Uiso 1 1 calc R
C78 C 0.8629(8) 0.4647(4) 0.4878(2) 0.020(3) Uiso 1 1 d .
C79 C 0.8611(8) 0.4457(4) 0.5105(3) 0.026(3) Uiso 1 1 d .
H79 H 0.8707 0.4685 0.5260 0.031 Uiso 1 1 calc R
C80 C 0.8464(8) 0.3974(4) 0.5098(3) 0.031(3) Uiso 1 1 d .
H80 H 0.8429 0.3830 0.5250 0.037 Uiso 1 1 calc R
C81 C 0.9078(8) 0.5947(4) 0.5097(3) 0.030(3) Uiso 1 1 d .
H81 H 0.9173 0.6178 0.5250 0.036 Uiso 1 1 calc R
C82 C 0.8889(8) 0.5470(4) 0.5101(3) 0.029(3) Uiso 1 1 d .
H82 H 0.8826 0.5335 0.5254 0.035 Uiso 1 1 calc R
C83 C 0.8777(8) 0.5151(4) 0.4883(3) 0.023(3) Uiso 1 1 d .
C84 C 0.8810(8) 0.5356(4) 0.4663(3) 0.030(3) Uiso 1 1 d .
H84 H 0.8704 0.5133 0.4507 0.036 Uiso 1 1 calc R
C85 C 0.8983(8) 0.5841(5) 0.4668(3) 0.035(3) Uiso 1 1 d .
H85 H 0.8993 0.5991 0.4517 0.042 Uiso 1 1 calc R
C86 C 0.1774(8) 0.2075(4) 0.1275(3) 0.023(3) Uiso 1 1 d .
H274 H 0.1632 0.1870 0.1115 0.028 Uiso 1 1 calc R
C87 C 0.1775(8) 0.2559(4) 0.1301(3) 0.026(3) Uiso 1 1 d .
H272 H 0.1622 0.2732 0.1160 0.031 Uiso 1 1 calc R
C88 C 0.1991(7) 0.2837(4) 0.1529(2) 0.015(3) Uiso 1 1 d .
C89 C 0.2192(8) 0.2606(4) 0.1736(2) 0.021(3) Uiso 1 1 d .
H89 H 0.2348 0.2802 0.1898 0.026 Uiso 1 1 calc R
C90 C 0.2159(8) 0.2111(4) 0.1701(3) 0.026(3) Uiso 1 1 d .
H273 H 0.2270 0.1925 0.1840 0.031 Uiso 1 1 calc R
C91 C 0.2069(7) 0.4120(4) 0.1805(2) 0.019(3) Uiso 1 1 d .
H287 H 0.2163 0.4331 0.1964 0.023 Uiso 1 1 calc R
C92 C 0.2139(7) 0.3635(4) 0.1787(2) 0.018(3) Uiso 1 1 d .
H285 H 0.2276 0.3468 0.1931 0.021 Uiso 1 1 calc R
C93 C 0.2013(7) 0.3363(4) 0.1556(2) 0.015(2) Uiso 1 1 d .
C94 C 0.1828(7) 0.3587(4) 0.1341(2) 0.021(3) Uiso 1 1 d .
H286 H 0.1751 0.3392 0.1178 0.025 Uiso 1 1 calc R
C95 C 0.1769(8) 0.4068(4) 0.1379(2) 0.022(3) Uiso 1 1 d .
H288 H 0.1649 0.4251 0.1240 0.026 Uiso 1 1 calc R
C96 C 0.4450(7) 0.2481(4) 0.1519(2) 0.020(3) Uiso 1 1 d .
H276 H 0.4313 0.2271 0.1360 0.025 Uiso 1 1 calc R
C97 C 0.4473(7) 0.2966(4) 0.1532(2) 0.020(3) Uiso 1 1 d .
H277 H 0.4362 0.3136 0.1387 0.024 Uiso 1 1 calc R
C98 C 0.4670(7) 0.3236(4) 0.1767(2) 0.015(2) Uiso 1 1 d .
C99 C 0.4837(8) 0.3009(4) 0.1975(3) 0.028(3) Uiso 1 1 d .
H275 H 0.4982 0.3206 0.2136 0.033 Uiso 1 1 calc R
C100 C 0.4788(8) 0.2531(4) 0.1941(3) 0.026(3) Uiso 1 1 d .
H282 H 0.4884 0.2352 0.2082 0.031 Uiso 1 1 calc R
C101 C 0.5129(8) 0.4522(4) 0.2036(3) 0.027(3) Uiso 1 1 d .
H279 H 0.5344 0.4729 0.2193 0.032 Uiso 1 1 calc R
C102 C 0.5003(8) 0.4036(4) 0.2025(3) 0.025(3) Uiso 1 1 d .
H280 H 0.5088 0.3866 0.2170 0.031 Uiso 1 1 calc R
C103 C 0.4740(7) 0.3765(4) 0.1795(2) 0.011(2) Uiso 1 1 d .
C104 C 0.4575(8) 0.3995(4) 0.1586(3) 0.026(3) Uiso 1 1 d .
H281 H 0.4380 0.3797 0.1426 0.031 Uiso 1 1 calc R
C105 C 0.4697(9) 0.4484(5) 0.1618(3) 0.037(3) Uiso 1 1 d .
H278 H 0.4588 0.4667 0.1478 0.045 Uiso 1 1 calc R
C106 C 0.6679(8) 0.2135(4) 0.1352(3) 0.024(3) Uiso 1 1 d .
H284 H 0.6503 0.1905 0.1200 0.029 Uiso 1 1 calc R
C107 C 0.6765(7) 0.2615(4) 0.1349(2) 0.019(3) Uiso 1 1 d .
H283 H 0.6645 0.2763 0.1199 0.023 Uiso 1 1 calc R
C108 C 0.7037(7) 0.2915(4) 0.1571(2) 0.011(2) Uiso 1 1 d .
C109 C 0.7196(7) 0.2711(4) 0.1788(2) 0.018(3) Uiso 1 1 d .
H109 H 0.7370 0.2927 0.1944 0.021 Uiso 1 1 calc R
C110 C 0.7101(8) 0.2228(4) 0.1770(3) 0.026(3) Uiso 1 1 d .
H309 H 0.7235 0.2065 0.1916 0.032 Uiso 1 1 calc R
C111 C 0.7363(7) 0.4208(4) 0.1796(2) 0.020(3) Uiso 1 1 d .
H308 H 0.7473 0.4434 0.1951 0.024 Uiso 1 1 calc R
C112 C 0.7241(8) 0.3734(4) 0.1798(2) 0.023(3) Uiso 1 1 d .
H294 H 0.7235 0.3587 0.1951 0.027 Uiso 1 1 calc R
C113 C 0.7115(7) 0.3433(4) 0.1575(2) 0.009(2) Uiso 1 1 d .
C114 C 0.7068(7) 0.3642(4) 0.1353(2) 0.017(3) Uiso 1 1 d .
H114 H 0.6956 0.3426 0.1196 0.021 Uiso 1 1 calc R
C115 C 0.7178(7) 0.4126(4) 0.1369(2) 0.022(3) Uiso 1 1 d .
H293 H 0.7139 0.4288 0.1221 0.026 Uiso 1 1 calc R
C116 C 0.9479(8) 0.1667(4) 0.1593(3) 0.030(3) Uiso 1 1 d .
H345 H 0.9319 0.1431 0.1442 0.036 Uiso 1 1 calc R
C117 C 0.9457(8) 0.2148(4) 0.1589(3) 0.025(3) Uiso 1 1 d .
H342 H 0.9297 0.2284 0.1437 0.030 Uiso 1 1 calc R
C118 C 0.9664(7) 0.2464(4) 0.1805(2) 0.015(2) Uiso 1 1 d .
C119 C 0.9917(9) 0.2265(5) 0.2024(3) 0.035(3) Uiso 1 1 d .
H344 H 1.0078 0.2489 0.2179 0.042 Uiso 1 1 calc R
C120 C 0.9927(9) 0.1785(5) 0.2013(3) 0.044(4) Uiso 1 1 d .
H120 H 1.0087 0.1636 0.2161 0.052 Uiso 1 1 calc R
C121 C 0.9844(7) 0.3758(4) 0.2037(2) 0.019(3) Uiso 1 1 d .
H311 H 0.9963 0.3985 0.2191 0.023 Uiso 1 1 calc R
C122 C 0.9797(8) 0.3280(4) 0.2035(3) 0.026(3) Uiso 1 1 d .
H122 H 0.9839 0.3130 0.2186 0.031 Uiso 1 1 calc R
C123 C 0.9684(7) 0.2979(4) 0.1810(2) 0.014(2) Uiso 1 1 d .
C124 C 0.9575(7) 0.3182(4) 0.1593(2) 0.017(3) Uiso 1 1 d .
H310 H 0.9475 0.2963 0.1436 0.021 Uiso 1 1 calc R
C125 C 0.9611(7) 0.3666(4) 0.1607(2) 0.019(3) Uiso 1 1 d .
H343 H 0.9552 0.3823 0.1457 0.023 Uiso 1 1 calc R
C126 C 1.1093(11) 0.4917(6) 0.0508(3) 0.060(4) Uiso 1 1 d .
H126 H 1.1478 0.4675 0.0581 0.072 Uiso 1 1 calc R
C127 C 1.0728(10) 0.4783(6) 0.0263(3) 0.051(4) Uiso 1 1 d .
H377 H 1.0858 0.4451 0.0182 0.061 Uiso 1 1 calc R
C128 C 1.0215(8) 0.5074(4) 0.0132(2) 0.021(3) Uiso 1 1 d .
C129 C 1.0115(10) 0.5506(5) 0.0266(3) 0.053(4) Uiso 1 1 d .
H391 H 0.9768 0.5761 0.0192 0.064 Uiso 1 1 calc R
C130 C 1.0498(10) 0.5613(6) 0.0514(3) 0.056(4) Uiso 1 1 d .
H390 H 1.0394 0.5946 0.0598 0.067 Uiso 1 1 calc R
C131 C 1.0264(9) 0.6640(5) 0.4208(3) 0.035(3) Uiso 1 1 d .
H131 H 1.0572 0.6351 0.4262 0.042 Uiso 1 1 calc R
C132 C 0.9554(8) 0.6532(4) 0.4006(2) 0.025(3) Uiso 1 1 d .
H327 H 0.9388 0.6180 0.3930 0.031 Uiso 1 1 calc R
C133 C 0.9102(8) 0.6909(4) 0.3917(2) 0.022(3) Uiso 1 1 d .
C134 C 0.9368(8) 0.7357(4) 0.4038(2) 0.027(3) Uiso 1 1 d .
H324 H 0.9067 0.7650 0.3987 0.032 Uiso 1 1 calc R
C135 C 1.0080(9) 0.7433(5) 0.4240(3) 0.036(3) Uiso 1 1 d .
H325 H 1.0239 0.7782 0.4322 0.044 Uiso 1 1 calc R
C136 C 0.6801(8) 0.6897(4) 0.3487(2) 0.017(3) Uiso 1 1 d .
H214 H 0.6191 0.7049 0.3487 0.021 Uiso 1 1 calc R
C137 C 0.7493(8) 0.7022(4) 0.3686(2) 0.021(3) Uiso 1 1 d .
H322 H 0.7368 0.7271 0.3822 0.026 Uiso 1 1 calc R
C138 C 0.8366(8) 0.6799(4) 0.3697(2) 0.021(3) Uiso 1 1 d .
C139 C 0.8512(8) 0.6466(4) 0.3498(2) 0.025(3) Uiso 1 1 d .
H323 H 0.9105 0.6298 0.3494 0.030 Uiso 1 1 calc R
C140 C 0.7796(8) 0.6371(4) 0.3301(3) 0.030(3) Uiso 1 1 d .
H326 H 0.7917 0.6143 0.3158 0.036 Uiso 1 1 calc R
C141 C 0.2860(11) 0.6512(5) 0.3680(3) 0.054(4) Uiso 1 1 d .
H374 H 0.3423 0.6353 0.3738 0.065 Uiso 1 1 calc R
C142 C 0.2437(10) 0.6345(5) 0.3439(3) 0.049(4) Uiso 1 1 d .
H379 H 0.2726 0.6083 0.3339 0.059 Uiso 1 1 calc R
C143 C 0.1618(8) 0.6543(4) 0.3339(3) 0.026(3) Uiso 1 1 d .
C144 C 0.1294(10) 0.6922(5) 0.3490(3) 0.046(4) Uiso 1 1 d .
H144 H 0.0729 0.7086 0.3437 0.055 Uiso 1 1 calc R
C145 C 0.1795(10) 0.7074(5) 0.3728(3) 0.049(4) Uiso 1 1 d .
H299 H 0.1564 0.7360 0.3827 0.059 Uiso 1 1 calc R
C146 C -0.0024(9) 0.6417(5) 0.2735(3) 0.033(3) Uiso 1 1 d .
H297 H -0.0534 0.6603 0.2667 0.040 Uiso 1 1 calc R
C147 C 0.0387(8) 0.6593(4) 0.2970(3) 0.029(3) Uiso 1 1 d .
H296 H 0.0148 0.6891 0.3057 0.035 Uiso 1 1 calc R
C148 C 0.1113(8) 0.6372(4) 0.3086(2) 0.021(3) Uiso 1 1 d .
C149 C 0.1355(9) 0.5949(4) 0.2952(3) 0.032(3) Uiso 1 1 d .
H298 H 0.1852 0.5755 0.3019 0.039 Uiso 1 1 calc R
C150 C 0.0893(8) 0.5792(4) 0.2719(3) 0.028(3) Uiso 1 1 d .
H295 H 0.1081 0.5479 0.2633 0.033 Uiso 1 1 calc R
C151 C 0.5563(9) 0.6063(4) 0.2718(3) 0.032(3) Uiso 1 1 d .
H151 H 0.6172 0.5918 0.2697 0.038 Uiso 1 1 calc R
C152 C 0.4805(8) 0.5948(4) 0.2527(3) 0.027(3) Uiso 1 1 d .
H152 H 0.4894 0.5725 0.2379 0.033 Uiso 1 1 calc R
C153 C 0.3925(7) 0.6156(4) 0.2551(2) 0.016(3) Uiso 1 1 d .
C154 C 0.3863(9) 0.6469(4) 0.2764(3) 0.032(3) Uiso 1 1 d .
H154 H 0.3272 0.6631 0.2789 0.038 Uiso 1 1 calc R
C155 C 0.4643(9) 0.6559(5) 0.2947(3) 0.036(3) Uiso 1 1 d .
H155 H 0.4565 0.6781 0.3096 0.043 Uiso 1 1 calc R
C156 C 0.1587(7) 0.6227(4) 0.2145(2) 0.017(3) Uiso 1 1 d .
H156 H 0.1138 0.6485 0.2127 0.020 Uiso 1 1 calc R
C157 C 0.2384(8) 0.6363(4) 0.2308(2) 0.024(3) Uiso 1 1 d .
H157 H 0.2473 0.6708 0.2396 0.029 Uiso 1 1 calc R
C158 C 0.3075(7) 0.6035(4) 0.2356(2) 0.015(2) Uiso 1 1 d .
C159 C 0.2886(8) 0.5586(4) 0.2223(2) 0.018(3) Uiso 1 1 d .
H159 H 0.3328 0.5324 0.2238 0.022 Uiso 1 1 calc R
C160 C 0.2045(8) 0.5483(4) 0.2057(2) 0.023(3) Uiso 1 1 d .
H160 H 0.1947 0.5142 0.1965 0.028 Uiso 1 1 calc R
C161 C -0.1151(8) 0.5024(4) 0.1121(2) 0.023(3) Uiso 1 1 d .
H161 H -0.0984 0.4721 0.1191 0.027 Uiso 1 1 calc R
C162 C -0.1721(8) 0.4938(4) 0.0899(2) 0.019(3) Uiso 1 1 d .
H162 H -0.1947 0.4587 0.0831 0.023 Uiso 1 1 calc R
C163 C -0.1981(8) 0.5319(4) 0.0773(2) 0.023(3) Uiso 1 1 d .
C164 C -0.1607(8) 0.5761(4) 0.0893(3) 0.027(3) Uiso 1 1 d .
H164 H -0.1737 0.6068 0.0821 0.033 Uiso 1 1 calc R
C165 C -0.1044(8) 0.5817(5) 0.1113(3) 0.029(3) Uiso 1 1 d .
H165 H -0.0784 0.6165 0.1179 0.035 Uiso 1 1 calc R
C166 C -0.4128(12) 0.5444(6) 0.0323(3) 0.067(5) Uiso 1 1 d .
H166 H -0.4646 0.5668 0.0321 0.080 Uiso 1 1 calc R
C167 C -0.3355(10) 0.5554(5) 0.0518(3) 0.050(4) Uiso 1 1 d .
H167 H -0.3334 0.5868 0.0631 0.060 Uiso 1 1 calc R
C168 C -0.2668(8) 0.5243(4) 0.0550(2) 0.022(3) Uiso 1 1 d .
C169 C -0.2708(8) 0.4865(4) 0.0361(2) 0.024(3) Uiso 1 1 d .
H169 H -0.2196 0.4637 0.0358 0.029 Uiso 1 1 calc R
C170 C -0.3447(9) 0.4786(5) 0.0169(3) 0.035(3) Uiso 1 1 d .
H170 H -0.3429 0.4504 0.0039 0.042 Uiso 1 1 calc R
C171 C 0.4283(8) 0.6632(4) 0.1603(3) 0.023(3) Uiso 1 1 d .
H306 H 0.4128 0.6382 0.1457 0.028 Uiso 1 1 calc R
C172 C 0.4236(8) 0.7095(4) 0.1583(3) 0.025(3) Uiso 1 1 d .
H301 H 0.4042 0.7209 0.1427 0.030 Uiso 1 1 calc R
C173 C 0.4472(7) 0.7431(4) 0.1793(2) 0.017(3) Uiso 1 1 d .
C174 C 0.4733(8) 0.7265(4) 0.2022(3) 0.027(3) Uiso 1 1 d .
H305 H 0.4900 0.7506 0.2171 0.033 Uiso 1 1 calc R
C175 C 0.4736(8) 0.6785(4) 0.2021(3) 0.028(3) Uiso 1 1 d .
H175 H 0.4887 0.6652 0.2175 0.034 Uiso 1 1 calc R
C176 C 0.4691(8) 0.8740(4) 0.1982(2) 0.023(3) Uiso 1 1 d .
H307 H 0.4798 0.8985 0.2131 0.028 Uiso 1 1 calc R
C177 C 0.4600(7) 0.8267(4) 0.1997(2) 0.020(3) Uiso 1 1 d .
H302 H 0.4592 0.8139 0.2154 0.024 Uiso 1 1 calc R
C178 C 0.4515(7) 0.7948(4) 0.1785(2) 0.012(2) Uiso 1 1 d .
C179 C 0.4466(7) 0.8122(4) 0.1557(2) 0.017(3) Uiso 1 1 d .
H303 H 0.4380 0.7884 0.1406 0.021 Uiso 1 1 calc R
C180 C 0.4536(7) 0.8601(4) 0.1554(2) 0.018(3) Uiso 1 1 d .
H304 H 0.4512 0.8738 0.1399 0.021 Uiso 1 1 calc R
C181 C 0.1587(8) 0.7154(4) 0.1325(3) 0.027(3) Uiso 1 1 d .
H339 H 0.1448 0.6922 0.1173 0.033 Uiso 1 1 calc R
C182 C 0.1731(7) 0.7632(4) 0.1320(2) 0.022(3) Uiso 1 1 d .
H336 H 0.1707 0.7775 0.1167 0.026 Uiso 1 1 calc R
C183 C 0.1923(7) 0.7938(4) 0.1544(2) 0.016(3) Uiso 1 1 d .
C184 C 0.1982(8) 0.7745(4) 0.1766(3) 0.025(3) Uiso 1 1 d .
H340 H 0.2129 0.7964 0.1922 0.030 Uiso 1 1 calc R
C185 C 0.1830(8) 0.7258(4) 0.1750(3) 0.023(3) Uiso 1 1 d .
H338 H 0.1871 0.7100 0.1900 0.028 Uiso 1 1 calc R
C186 C 0.2309(7) 0.9241(4) 0.1770(2) 0.021(3) Uiso 1 1 d .
H335 H 0.2386 0.9470 0.1924 0.026 Uiso 1 1 calc R
C187 C 0.2149(7) 0.8763(4) 0.1772(2) 0.022(3) Uiso 1 1 d .
H187 H 0.2097 0.8619 0.1923 0.027 Uiso 1 1 calc R
C188 C 0.2055(7) 0.8461(4) 0.1549(2) 0.017(3) Uiso 1 1 d .
C189 C 0.2101(7) 0.8668(4) 0.1328(2) 0.019(3) Uiso 1 1 d .
H341 H 0.2023 0.8449 0.1171 0.023 Uiso 1 1 calc R
C190 C 0.2245(8) 0.9138(4) 0.1339(3) 0.024(3) Uiso 1 1 d .
H337 H 0.2264 0.9291 0.1189 0.028 Uiso 1 1 calc R
C191 C 0.6767(8) 0.6997(4) 0.1265(3) 0.028(3) Uiso 1 1 d .
H334 H 0.6701 0.6787 0.1106 0.034 Uiso 1 1 calc R
C192 C 0.6800(8) 0.7470(4) 0.1277(3) 0.033(3) Uiso 1 1 d .
H332 H 0.6761 0.7633 0.1130 0.039 Uiso 1 1 calc R
C193 C 0.6895(7) 0.7762(4) 0.1508(2) 0.014(2) Uiso 1 1 d .
C194 C 0.6938(7) 0.7528(4) 0.1718(2) 0.022(3) Uiso 1 1 d .
H329 H 0.7002 0.7727 0.1880 0.026 Uiso 1 1 calc R
C195 C 0.6890(8) 0.7048(4) 0.1689(3) 0.030(3) Uiso 1 1 d .
H331 H 0.6903 0.6870 0.1832 0.035 Uiso 1 1 calc R
C196 C 0.7007(8) 0.9046(4) 0.1772(3) 0.023(3) Uiso 1 1 d .
H330 H 0.7087 0.9259 0.1930 0.028 Uiso 1 1 calc R
C197 C 0.7033(7) 0.8569(4) 0.1758(2) 0.022(3) Uiso 1 1 d .
H333 H 0.7118 0.8407 0.1905 0.026 Uiso 1 1 calc R
C198 C 0.6938(7) 0.8284(4) 0.1531(2) 0.017(3) Uiso 1 1 d .
C199 C 0.6837(7) 0.8508(4) 0.1313(2) 0.020(3) Uiso 1 1 d .
H313 H 0.6791 0.8311 0.1151 0.024 Uiso 1 1 calc R
C200 C 0.6810(8) 0.8986(4) 0.1348(3) 0.025(3) Uiso 1 1 d .
H312 H 0.6743 0.9165 0.1205 0.031 Uiso 1 1 calc R
C201 C 0.9307(8) 0.7429(4) 0.1500(2) 0.022(3) Uiso 1 1 d .
H315 H 0.9216 0.7213 0.1342 0.027 Uiso 1 1 calc R
C202 C 0.9367(7) 0.7918(4) 0.1507(2) 0.021(3) Uiso 1 1 d .
H314 H 0.9310 0.8080 0.1359 0.025 Uiso 1 1 calc R
C203 C 0.9515(7) 0.8198(4) 0.1737(2) 0.013(2) Uiso 1 1 d .
C204 C 0.9584(8) 0.7975(4) 0.1948(3) 0.028(3) Uiso 1 1 d .
H317 H 0.9689 0.8180 0.2108 0.034 Uiso 1 1 calc R
C205 C 0.9504(8) 0.7494(4) 0.1924(3) 0.029(3) Uiso 1 1 d .
H318 H 0.9545 0.7322 0.2069 0.035 Uiso 1 1 calc R
C206 C 0.9969(8) 0.9491(4) 0.1990(3) 0.030(3) Uiso 1 1 d .
H321 H 1.0167 0.9702 0.2146 0.036 Uiso 1 1 calc R
C207 C 0.9833(8) 0.9002(4) 0.1984(3) 0.028(3) Uiso 1 1 d .
H319 H 0.9884 0.8841 0.2132 0.034 Uiso 1 1 calc R
C208 C 0.9609(7) 0.8720(4) 0.1755(2) 0.014(2) Uiso 1 1 d .
C209 C 0.9486(8) 0.8944(4) 0.1542(3) 0.027(3) Uiso 1 1 d .
H320 H 0.9315 0.8741 0.1382 0.032 Uiso 1 1 calc R
C210 C 0.9613(9) 0.9438(5) 0.1570(3) 0.038(3) Uiso 1 1 d .
H316 H 0.9535 0.9616 0.1427 0.045 Uiso 1 1 calc R
C211 C 0.1689(8) 0.3740(4) 0.3888(2) 0.019(3) Uiso 1 1 d .
H211 H 0.2465 0.3931 0.3902 0.023 Uiso 1 1 calc R
C212 C 0.0977(7) 0.3664(4) 0.3630(2) 0.021(3) Uiso 1 1 d .
H212 H 0.1233 0.3796 0.3456 0.025 Uiso 1 1 calc R
C213 C 0.1738(9) 0.4813(5) 0.4038(3) 0.041(4) Uiso 1 1 d .
H213 H 0.2354 0.4675 0.4157 0.050 Uiso 1 1 calc R
C214 C 0.1656(8) 0.4743(4) 0.3736(3) 0.030(3) Uiso 1 1 d .
C215 C 0.6703(9) 0.4035(5) 0.3858(3) 0.038(3) Uiso 1 1 d .
H215 H 0.7459 0.4235 0.3849 0.046 Uiso 1 1 calc R
C216 C 0.5896(10) 0.3958(5) 0.3617(3) 0.051(4) Uiso 1 1 d .
H216 H 0.6050 0.4089 0.3434 0.061 Uiso 1 1 calc R
C217 C 0.5396(9) 0.4979(5) 0.3625(3) 0.044(4) Uiso 1 1 d .
H217 H 0.5058 0.4747 0.3444 0.053 Uiso 1 1 calc R
C218 C 0.6558(11) 0.5029(5) 0.3713(3) 0.057(4) Uiso 1 1 d .
H218 H 0.7067 0.4819 0.3593 0.068 Uiso 1 1 calc R
C219 C 0.2689(8) 0.3129(4) 0.3041(2) 0.024(3) Uiso 1 1 d .
H219 H 0.2738 0.3340 0.3236 0.029 Uiso 1 1 calc R
C220 C 0.3656(8) 0.3094(4) 0.2884(2) 0.024(3) Uiso 1 1 d .
H220 H 0.4410 0.3278 0.2965 0.028 Uiso 1 1 calc R
C221 C 0.3516(8) 0.4189(4) 0.3033(2) 0.026(3) Uiso 1 1 d .
H221 H 0.3961 0.4049 0.3191 0.032 Uiso 1 1 calc R
C222 C 0.3842(9) 0.4136(4) 0.2752(3) 0.031(3) Uiso 1 1 d .
H222 H 0.4526 0.3948 0.2708 0.037 Uiso 1 1 calc R
C223 C 0.7354(7) 0.3439(4) 0.3040(2) 0.021(3) Uiso 1 1 d .
H223 H 0.7226 0.3675 0.3220 0.025 Uiso 1 1 calc R
C224 C 0.8482(8) 0.3395(4) 0.2960(2) 0.017(3) Uiso 1 1 d .
H224 H 0.9160 0.3591 0.3080 0.021 Uiso 1 1 calc R
C225 C 0.8313(8) 0.4486(4) 0.3036(2) 0.022(3) Uiso 1 1 d .
H225 H 0.8597 0.4361 0.3218 0.027 Uiso 1 1 calc R
C226 C 0.8888(8) 0.4394(4) 0.2787(2) 0.018(3) Uiso 1 1 d .
H226 H 0.9588 0.4196 0.2790 0.021 Uiso 1 1 calc R
C227 C 0.3222(8) 0.2494(4) 0.0668(2) 0.028(3) Uiso 1 1 d .
H227 H 0.2629 0.2662 0.0774 0.034 Uiso 1 1 calc R
C228 C 0.3180(8) 0.2456(4) 0.0368(2) 0.027(3) Uiso 1 1 d .
H228 H 0.2550 0.2598 0.0256 0.032 Uiso 1 1 calc R
C229 C 0.3032(8) 0.3519(4) 0.0549(2) 0.027(3) Uiso 1 1 d .
H229 H 0.2266 0.3312 0.0520 0.033 Uiso 1 1 calc R
C230 C 0.3735(8) 0.3516(4) 0.0325(2) 0.024(3) Uiso 1 1 d .
H230 H 0.3471 0.3302 0.0134 0.029 Uiso 1 1 calc R
C231 C 0.7847(8) 0.2034(4) 0.0615(2) 0.026(3) Uiso 1 1 d .
H231 H 0.7159 0.2226 0.0654 0.031 Uiso 1 1 calc R
C232 C 0.8197(8) 0.1969(4) 0.0338(3) 0.029(3) Uiso 1 1 d .
H232 H 0.7764 0.2109 0.0178 0.035 Uiso 1 1 calc R
C233 C 0.8066(8) 0.3057(4) 0.0466(2) 0.027(3) Uiso 1 1 d .
H233 H 0.7319 0.2863 0.0385 0.032 Uiso 1 1 calc R
C234 C 0.9029(8) 0.3008(4) 0.0314(3) 0.026(3) Uiso 1 1 d .
H234 H 0.8995 0.2779 0.0123 0.031 Uiso 1 1 calc R
C235 C 0.1426(9) 0.9140(5) 0.3907(3) 0.035(3) Uiso 1 1 d .
H235 H 0.2191 0.9282 0.3997 0.042 Uiso 1 1 calc R
C236 C 0.1084(8) 0.9175(4) 0.3619(2) 0.022(3) Uiso 1 1 d .
H236 H 0.1610 0.9357 0.3501 0.027 Uiso 1 1 calc R
C237 C 0.1785(9) 1.0204(5) 0.3858(3) 0.039(3) Uiso 1 1 d .
H237 H 0.2436 0.9997 0.3803 0.047 Uiso 1 1 calc R
C238 C 0.0856(9) 1.0245(5) 0.3658(3) 0.044(4) Uiso 1 1 d .
H238 H 0.0836 1.0081 0.3456 0.053 Uiso 1 1 calc R
C239 C 0.6544(8) 0.8660(4) 0.3835(2) 0.025(3) Uiso 1 1 d .
H239 H 0.7311 0.8853 0.3836 0.031 Uiso 1 1 calc R
C240 C 0.5751(8) 0.8591(4) 0.3588(3) 0.027(3) Uiso 1 1 d .
H240 H 0.5937 0.8730 0.3409 0.032 Uiso 1 1 calc R
C241 C 0.6524(9) 0.9736(5) 0.3980(3) 0.038(3) Uiso 1 1 d .
H241 H 0.7170 0.9593 0.4086 0.046 Uiso 1 1 calc R
C242 C 0.6388(9) 0.9658(5) 0.3680(3) 0.038(3) Uiso 1 1 d .
C243 C 0.2140(7) 0.8388(4) 0.3014(2) 0.018(3) Uiso 1 1 d .
H243 H 0.2003 0.8624 0.3193 0.021 Uiso 1 1 calc R
C244 C 0.3267(8) 0.8347(4) 0.2940(2) 0.018(3) Uiso 1 1 d .
H244 H 0.3936 0.8546 0.3062 0.022 Uiso 1 1 calc R
C245 C 0.3048(8) 0.9436(4) 0.3016(2) 0.022(3) Uiso 1 1 d .
H245 H 0.3302 0.9310 0.3200 0.026 Uiso 1 1 calc R
C246 C 0.3665(8) 0.9356(4) 0.2776(2) 0.018(3) Uiso 1 1 d .
H246 H 0.4376 0.9169 0.2787 0.022 Uiso 1 1 calc R
C247 C 0.7436(8) 0.8069(4) 0.3006(2) 0.023(3) Uiso 1 1 d .
H247 H 0.7426 0.8298 0.3196 0.028 Uiso 1 1 calc R
C248 C 0.8442(8) 0.8046(4) 0.2870(2) 0.025(3) Uiso 1 1 d .
H248 H 0.9160 0.8262 0.2960 0.030 Uiso 1 1 calc R
C249 C 0.8193(8) 0.9120(4) 0.2986(3) 0.028(3) Uiso 1 1 d .
H249 H 0.8599 0.8989 0.3152 0.034 Uiso 1 1 calc R
C250 C 0.8616(8) 0.9063(4) 0.2721(2) 0.026(3) Uiso 1 1 d .
H250 H 0.9330 0.8888 0.2695 0.032 Uiso 1 1 calc R
C251 C 0.4729(9) 0.7090(5) 0.0716(3) 0.035(3) Uiso 1 1 d .
H251 H 0.5425 0.7309 0.0818 0.042 Uiso 1 1 calc R
C252 C 0.4591(8) 0.6978(4) 0.0417(2) 0.026(3) Uiso 1 1 d .
H252 H 0.5184 0.7114 0.0304 0.031 Uiso 1 1 calc R
C253 C 0.5045(8) 0.8062(4) 0.0532(2) 0.022(3) Uiso 1 1 d .
H253 H 0.5759 0.7878 0.0529 0.026 Uiso 1 1 calc R
C254 C 0.4235(8) 0.7978(4) 0.0290(2) 0.024(3) Uiso 1 1 d .
H254 H 0.4358 0.7729 0.0113 0.029 Uiso 1 1 calc R
C255 C 0.9920(8) 0.7492(4) 0.0523(2) 0.017(3) Uiso 1 1 d .
H255 H 1.0698 0.7683 0.0554 0.021 Uiso 1 1 calc R
C256 C 0.9264(7) 0.7465(4) 0.0259(2) 0.016(3) Uiso 1 1 d .
H256 H 0.9571 0.7638 0.0100 0.020 Uiso 1 1 calc R
C257 C 0.8770(8) 0.8508(4) 0.0289(3) 0.025(3) Uiso 1 1 d .
H257 H 0.8528 0.8306 0.0094 0.030 Uiso 1 1 calc R
C258 C 0.9919(8) 0.8540(4) 0.0414(2) 0.026(3) Uiso 1 1 d .
H258 H 1.0511 0.8363 0.0310 0.032 Uiso 1 1 calc R
C259 C 1.1653(19) 0.2203(10) 0.4480(5) 0.162(10) Uiso 1 1 d .
H395 H 1.2308 0.2220 0.4418 0.242 Uiso 1 1 calc R
H25B H 1.1178 0.2330 0.4360 0.242 Uiso 1 1 calc R
H25C H 1.1438 0.1840 0.4498 0.242 Uiso 1 1 calc R
C260 C 1.1697(18) 0.2471(10) 0.4678(5) 0.142(9) Uiso 1 1 d .
H26O H 1.1627 0.2841 0.4656 0.170 Uiso 1 1 calc R
H26P H 1.2336 0.2453 0.4779 0.170 Uiso 1 1 calc R
C261 C 0.2293(9) 0.0784(5) 0.2198(3) 0.038(3) Uiso 1 1 d .
H26D H 0.2888 0.0676 0.2286 0.057 Uiso 1 1 calc R
H26E H 0.1921 0.0478 0.2095 0.057 Uiso 1 1 calc R
H26F H 0.1878 0.0938 0.2321 0.057 Uiso 1 1 calc R
C262 C 0.2557(14) 0.1140(8) 0.2050(4) 0.138(9) Uiso 1 1 d D
H26Q H 0.1973 0.1324 0.2005 0.166 Uiso 1 1 calc R
H26R H 0.2749 0.0953 0.1894 0.166 Uiso 1 1 calc R
C263 C 0.0992(12) 0.0253(6) 0.1180(3) 0.071(5) Uiso 1 1 d .
H349 H 0.1594 0.0149 0.1110 0.106 Uiso 1 1 calc R
H350 H 0.0429 0.0177 0.1050 0.106 Uiso 1 1 calc R
H26I H 0.0867 0.0057 0.1319 0.106 Uiso 1 1 calc R
C264 C 0.1107(11) 0.0764(6) 0.1263(3) 0.062(4) Uiso 1 1 d .
H26G H 0.0567 0.0856 0.1366 0.074 Uiso 1 1 calc R
H26H H 0.1074 0.0965 0.1120 0.074 Uiso 1 1 calc R
C265 C 0.8335(10) 0.0438(5) 0.1394(3) 0.048(4) Uiso 1 1 d .
H375 H 0.8144 0.0739 0.1501 0.072 Uiso 1 1 calc R
H376 H 0.9058 0.0455 0.1402 0.072 Uiso 1 1 calc R
H26C H 0.8080 0.0113 0.1451 0.072 Uiso 1 1 calc R
C266 C 0.7919(9) 0.0446(5) 0.1134(3) 0.036(3) Uiso 1 1 d .
H394 H 0.8207 0.0765 0.1073 0.043 Uiso 1 1 calc R
H26B H 0.8099 0.0137 0.1027 0.043 Uiso 1 1 calc R
C267 C 0.8729(8) 0.7808(4) 0.4707(3) 0.032(3) Uiso 1 1 d .
H26J H 0.8792 0.7699 0.4874 0.048 Uiso 1 1 calc R
H26K H 0.8721 0.8189 0.4722 0.048 Uiso 1 1 calc R
H26L H 0.9291 0.7704 0.4618 0.048 Uiso 1 1 calc R
C268 C 0.7887(11) 0.7578(5) 0.4578(3) 0.060(4) Uiso 1 1 d .
H26M H 0.7813 0.7682 0.4408 0.072 Uiso 1 1 calc R
H26N H 0.7311 0.7678 0.4666 0.072 Uiso 1 1 calc R
C269 C 0.4945(19) 0.6981(10) 0.4496(5) 0.052(8) Uiso 0.50 1 d PD
H356 H 0.4848 0.7319 0.4590 0.079 Uiso 0.50 1 calc PR
H365 H 0.5634 0.6982 0.4458 0.079 Uiso 0.50 1 calc PR
H366 H 0.4794 0.6700 0.4596 0.079 Uiso 0.50 1 calc PR
C270 C 0.4306(13) 0.6896(11) 0.4269(5) 0.057(8) Uiso 0.50 1 d PD
H27D H 0.4552 0.7127 0.4151 0.068 Uiso 0.50 1 calc PR
H27E H 0.4295 0.6528 0.4191 0.068 Uiso 0.50 1 calc PR
C271 C 0.3121(9) 0.5420(5) 0.1400(3) 0.041(4) Uiso 1 1 d .
H378 H 0.2855 0.5667 0.1523 0.062 Uiso 1 1 calc R
H143 H 0.3844 0.5489 0.1414 0.062 Uiso 1 1 calc R
H27C H 0.2942 0.5061 0.1431 0.062 Uiso 1 1 calc R
C272 C 0.2712(9) 0.5485(5) 0.1150(3) 0.039(3) Uiso 1 1 d .
H27A H 0.2982 0.5826 0.1107 0.047 Uiso 1 1 calc R
H27B H 0.2900 0.5204 0.1027 0.047 Uiso 1 1 calc R
C273 C 0.5651(16) 0.5436(9) 0.1083(5) 0.131(8) Uiso 1 1 d .
H367 H 0.5645 0.5731 0.0986 0.196 Uiso 1 1 calc R
H368 H 0.4978 0.5265 0.1075 0.196 Uiso 1 1 calc R
H268 H 0.6085 0.5184 0.1014 0.196 Uiso 1 1 calc R
C274 C 0.5978(12) 0.5609(7) 0.1316(4) 0.078(5) Uiso 1 1 d .
H396 H 0.5847 0.5311 0.1410 0.093 Uiso 1 1 calc R
H27G H 0.5536 0.5874 0.1372 0.093 Uiso 1 1 calc R
B1 B 0.0546(10) 0.2896(5) 0.3862(3) 0.029(4) Uiso 1 1 d .
H1 H 0.0459 0.2461 0.3859 0.035 Uiso 1 1 calc R
B2 B 0.1520(10) 0.3272(5) 0.4041(3) 0.031(4) Uiso 1 1 d .
H2 H 0.2120 0.3118 0.4158 0.037 Uiso 1 1 calc R
B3 B 0.1501(10) 0.3191(5) 0.3722(3) 0.026(3) Uiso 1 1 d .
H3 H 0.2083 0.2988 0.3626 0.031 Uiso 1 1 calc R
B4 B 0.0267(10) 0.3151(5) 0.3589(3) 0.034(4) Uiso 1 1 d .
H4 H 0.0025 0.2916 0.3401 0.040 Uiso 1 1 calc R
B5 B -0.0507(10) 0.3214(5) 0.3838(3) 0.026(3) Uiso 1 1 d .
H5 H -0.1282 0.3020 0.3819 0.031 Uiso 1 1 calc R
B6 B 0.0289(10) 0.3279(5) 0.4122(3) 0.032(4) Uiso 1 1 d .
H6 H 0.0061 0.3127 0.4295 0.038 Uiso 1 1 calc R
B7 B -0.0234(9) 0.3695(5) 0.3681(3) 0.022(3) Uiso 1 1 d .
H7 H -0.0823 0.3833 0.3553 0.026 Uiso 1 1 calc R
B8 B -0.0242(10) 0.3781(5) 0.4011(3) 0.032(4) Uiso 1 1 d .
H8 H -0.0833 0.3970 0.4109 0.039 Uiso 1 1 calc R
B9 B 0.1060(10) 0.3831(5) 0.4146(3) 0.028(4) Uiso 1 1 d .
H393 H 0.1345 0.4058 0.4333 0.034 Uiso 1 1 calc R
B10 B 0.0962(10) 0.5597(5) 0.3857(3) 0.027(3) Uiso 1 1 d .
H10 H 0.1019 0.6031 0.3856 0.033 Uiso 1 1 calc R
B11 B 0.0001(10) 0.5222(5) 0.3674(3) 0.031(4) Uiso 1 1 d .
H9 H -0.0584 0.5366 0.3548 0.037 Uiso 1 1 calc R
B12 B 0.0036(10) 0.5312(5) 0.4006(3) 0.027(3) Uiso 1 1 d .
H397 H -0.0528 0.5531 0.4102 0.033 Uiso 1 1 calc R
B13 B 0.1289(9) 0.5353(5) 0.4138(3) 0.024(3) Uiso 1 1 d .
H13 H 0.1569 0.5591 0.4322 0.029 Uiso 1 1 calc R
B14 B 0.2014(10) 0.5293(5) 0.3879(3) 0.027(3) Uiso 1 1 d .
H88 H 0.2783 0.5490 0.3890 0.033 Uiso 1 1 calc R
B15 B 0.1250(10) 0.5220(5) 0.3600(3) 0.028(4) Uiso 1 1 d .
H242 H 0.1501 0.5358 0.3426 0.034 Uiso 1 1 calc R
B16 B 0.0514(9) 0.4817(5) 0.4132(3) 0.026(3) Uiso 1 1 d .
H16 H 0.0282 0.4695 0.4311 0.031 Uiso 1 1 calc R
B17 B -0.0276(10) 0.4741(5) 0.3846(3) 0.023(3) Uiso 1 1 d .
H17 H -0.1059 0.4562 0.3833 0.028 Uiso 1 1 calc R
B18 B 0.0494(9) 0.4687(5) 0.3602(3) 0.020(3) Uiso 1 1 d .
H18 H 0.0236 0.4453 0.3414 0.025 Uiso 1 1 calc R
B19 B 0.5606(12) 0.3190(7) 0.3859(4) 0.055(5) Uiso 1 1 d .
H19 H 0.5518 0.2753 0.3850 0.067 Uiso 1 1 calc R
B20 B 0.6643(12) 0.3557(6) 0.4009(3) 0.042(4) Uiso 1 1 d .
H20 H 0.7295 0.3395 0.4103 0.051 Uiso 1 1 calc R
B21 B 0.6462(12) 0.3477(6) 0.3697(3) 0.043(4) Uiso 1 1 d .
H271 H 0.6995 0.3273 0.3582 0.052 Uiso 1 1 calc R
B22 B 0.5179(13) 0.3430(7) 0.3610(4) 0.054(5) Uiso 1 1 d .
H352 H 0.4837 0.3190 0.3431 0.064 Uiso 1 1 calc R
B23 B 0.4594(12) 0.3497(6) 0.3889(3) 0.045(4) Uiso 1 1 d .
H23 H 0.3847 0.3297 0.3905 0.054 Uiso 1 1 calc R
B24 B 0.5516(11) 0.3584(6) 0.4142(4) 0.044(4) Uiso 1 1 d .
H355 H 0.5412 0.3448 0.4327 0.053 Uiso 1 1 calc R
B25 B 0.6226(12) 0.4108(6) 0.4126(4) 0.048(5) Uiso 1 1 d .
H357 H 0.6611 0.4332 0.4304 0.057 Uiso 1 1 calc R
B26 B 0.4923(12) 0.4081(6) 0.4051(4) 0.048(5) Uiso 1 1 d .
H26 H 0.4405 0.4284 0.4170 0.058 Uiso 1 1 calc R
B27 B 0.4707(12) 0.3963(6) 0.3715(4) 0.047(4) Uiso 1 1 d .
H27 H 0.4038 0.4078 0.3607 0.056 Uiso 1 1 calc R
B28 B 0.5977(13) 0.5900(7) 0.3867(4) 0.059(5) Uiso 1 1 d .
H387 H 0.6051 0.6335 0.3871 0.070 Uiso 1 1 calc R
B29 B 0.5124(12) 0.5604(6) 0.4033(4) 0.046(4) Uiso 1 1 d .
H29 H 0.4608 0.5831 0.4143 0.056 Uiso 1 1 calc R
B30 B 0.6433(14) 0.5642(7) 0.4126(4) 0.067(6) Uiso 1 1 d .
H30 H 0.6804 0.5879 0.4303 0.081 Uiso 1 1 calc R
B31 B 0.4942(13) 0.5498(6) 0.3718(4) 0.052(5) Uiso 1 1 d .
H31 H 0.4293 0.5641 0.3613 0.062 Uiso 1 1 calc R
B32 B 0.7013(13) 0.5569(6) 0.3844(4) 0.052(5) Uiso 1 1 d .
H32 H 0.7769 0.5754 0.3823 0.063 Uiso 1 1 calc R
B33 B 0.6068(12) 0.5485(6) 0.3600(4) 0.048(5) Uiso 1 1 d .
H33 H 0.6184 0.5614 0.3414 0.057 Uiso 1 1 calc R
B34 B 0.6859(12) 0.5090(6) 0.4016(4) 0.048(5) Uiso 1 1 d .
H392 H 0.7527 0.4952 0.4115 0.057 Uiso 1 1 calc R
B35 B 0.4757(13) 0.5017(6) 0.3884(4) 0.048(5) Uiso 1 1 d .
H35 H 0.3995 0.4825 0.3892 0.058 Uiso 1 1 calc R
B36 B 0.5634(12) 0.5105(6) 0.4145(4) 0.052(5) Uiso 1 1 d .
H36 H 0.5466 0.4988 0.4330 0.062 Uiso 1 1 calc R
B37 B 0.2516(10) 0.2243(6) 0.2766(3) 0.032(4) Uiso 1 1 d .
H37 H 0.2427 0.1805 0.2754 0.038 Uiso 1 1 calc R
B38 B 0.3640(10) 0.2568(5) 0.2714(3) 0.027(3) Uiso 1 1 d .
H38 H 0.4316 0.2370 0.2671 0.033 Uiso 1 1 calc R
B39 B 0.2589(11) 0.2539(6) 0.2496(3) 0.038(4) Uiso 1 1 d .
H39 H 0.2557 0.2315 0.2303 0.046 Uiso 1 1 calc R
B40 B 0.1542(11) 0.2571(5) 0.2662(3) 0.035(4) Uiso 1 1 d .
H40 H 0.0796 0.2369 0.2586 0.042 Uiso 1 1 calc R
B41 B 0.1937(10) 0.2619(5) 0.2981(3) 0.032(4) Uiso 1 1 d .
H358 H 0.1470 0.2465 0.3120 0.038 Uiso 1 1 calc R
B42 B 0.3241(10) 0.2617(5) 0.3017(3) 0.032(4) Uiso 1 1 d .
H364 H 0.3647 0.2465 0.3178 0.039 Uiso 1 1 calc R
B43 B 0.1615(10) 0.3124(5) 0.2833(3) 0.030(4) Uiso 1 1 d .
H43 H 0.0927 0.3314 0.2874 0.036 Uiso 1 1 calc R
B44 B 0.2009(10) 0.3068(5) 0.2527(3) 0.033(4) Uiso 1 1 d .
H44A H 0.1600 0.3203 0.2361 0.039 Uiso 1 1 calc R
B45 B 0.3358(10) 0.3075(5) 0.2577(3) 0.029(4) Uiso 1 1 d .
H45A H 0.3859 0.3229 0.2444 0.035 Uiso 1 1 calc R
B46 B 0.3037(10) 0.4972(6) 0.2830(3) 0.034(4) Uiso 1 1 d .
H46A H 0.3104 0.5409 0.2840 0.041 Uiso 1 1 calc R
B47 B 0.1927(10) 0.4652(5) 0.2890(3) 0.030(4) Uiso 1 1 d .
H47A H 0.1261 0.4849 0.2942 0.036 Uiso 1 1 calc R
B48 B 0.3024(10) 0.4697(5) 0.3106(3) 0.028(3) Uiso 1 1 d .
H48 H 0.3097 0.4913 0.3300 0.033 Uiso 1 1 calc R
B49 B 0.4038(10) 0.4675(5) 0.2924(3) 0.027(3) Uiso 1 1 d .
H49A H 0.4790 0.4876 0.2996 0.032 Uiso 1 1 calc R
B50 B 0.3604(10) 0.4609(5) 0.2616(3) 0.029(4) Uiso 1 1 d .
H50A H 0.4074 0.4768 0.2479 0.035 Uiso 1 1 calc R
B51 B 0.2294(10) 0.4609(5) 0.2581(3) 0.033(4) Uiso 1 1 d .
H51A H 0.1881 0.4775 0.2426 0.040 Uiso 1 1 calc R
B52 B 0.2854(9) 0.4066(5) 0.2531(3) 0.024(3) Uiso 1 1 d .
H52A H 0.2826 0.3854 0.2337 0.029 Uiso 1 1 calc R
B53 B 0.1788(10) 0.4090(5) 0.2699(3) 0.028(3) Uiso 1 1 d .
H53 H 0.1034 0.3904 0.2619 0.034 Uiso 1 1 calc R
B54 B 0.2233(10) 0.4148(5) 0.3023(3) 0.025(3) Uiso 1 1 d .
H54A H 0.1777 0.3994 0.3164 0.030 Uiso 1 1 calc R
B55 B 0.7378(10) 0.2535(5) 0.2805(3) 0.027(3) Uiso 1 1 d .
H55A H 0.7258 0.2101 0.2805 0.032 Uiso 1 1 calc R
B56 B 0.7757(10) 0.2781(5) 0.2537(3) 0.029(4) Uiso 1 1 d .
H56 H 0.7900 0.2531 0.2361 0.034 Uiso 1 1 calc R
B57 B 0.8580(10) 0.2841(5) 0.2816(3) 0.025(3) Uiso 1 1 d .
H57 H 0.9277 0.2641 0.2829 0.029 Uiso 1 1 calc R
B58 B 0.6636(10) 0.2932(5) 0.2957(3) 0.024(3) Uiso 1 1 d .
H58 H 0.6025 0.2797 0.3065 0.029 Uiso 1 1 calc R
B59 B 0.7869(10) 0.2926(5) 0.3076(3) 0.025(3) Uiso 1 1 d .
H59 H 0.8084 0.2792 0.3261 0.030 Uiso 1 1 calc R
B60 B 0.6539(10) 0.2843(5) 0.2628(3) 0.027(3) Uiso 1 1 d .
H60 H 0.5859 0.2638 0.2512 0.033 Uiso 1 1 calc R
B61 B 0.6495(9) 0.3409(5) 0.2783(3) 0.022(3) Uiso 1 1 d .
H61 H 0.5786 0.3599 0.2777 0.026 Uiso 1 1 calc R
B62 B 0.7195(9) 0.3324(5) 0.2516(3) 0.024(3) Uiso 1 1 d .
H62 H 0.6964 0.3445 0.2329 0.029 Uiso 1 1 calc R
B63 B 0.8474(9) 0.3323(5) 0.2642(3) 0.021(3) Uiso 1 1 d .
H63 H 0.9106 0.3451 0.2539 0.025 Uiso 1 1 calc R
B64 B 0.8119(10) 0.5250(6) 0.2784(3) 0.031(4) Uiso 1 1 d .
H64 H 0.8230 0.5682 0.2779 0.038 Uiso 1 1 calc R
B65 B 0.6923(10) 0.4940(5) 0.2799(3) 0.027(3) Uiso 1 1 d .
H65 H 0.6235 0.5147 0.2807 0.032 Uiso 1 1 calc R
B66 B 0.7818(10) 0.5012(5) 0.3055(3) 0.031(4) Uiso 1 1 d .
H66 H 0.7735 0.5261 0.3236 0.037 Uiso 1 1 calc R
B67 B 0.9005(10) 0.4964(5) 0.2947(3) 0.028(3) Uiso 1 1 d .
H67 H 0.9705 0.5169 0.3053 0.033 Uiso 1 1 calc R
B68 B 0.8837(10) 0.4846(5) 0.2620(3) 0.029(4) Uiso 1 1 d .
H68 H 0.9438 0.4974 0.2507 0.035 Uiso 1 1 calc R
B69 B 0.7543(11) 0.4847(5) 0.2520(3) 0.035(4) Uiso 1 1 d .
H69 H 0.7275 0.4986 0.2340 0.042 Uiso 1 1 calc R
B70 B 0.8086(10) 0.4301(5) 0.2521(3) 0.030(4) Uiso 1 1 d .
H70 H 0.8192 0.4062 0.2339 0.035 Uiso 1 1 calc R
B71 B 0.6883(10) 0.4365(5) 0.2633(3) 0.026(3) Uiso 1 1 d .
H71 H 0.6170 0.4180 0.2526 0.031 Uiso 1 1 calc R
B72 B 0.7071(9) 0.4460(5) 0.2963(3) 0.021(3) Uiso 1 1 d .
H72 H 0.6495 0.4330 0.3082 0.025 Uiso 1 1 calc R
B73 B 0.3975(10) 0.1672(6) 0.0492(3) 0.035(4) Uiso 1 1 d .
H73 H 0.3946 0.1235 0.0472 0.042 Uiso 1 1 calc R
B74 B 0.4929(10) 0.2047(5) 0.0687(3) 0.030(4) Uiso 1 1 d .
H74A H 0.5535 0.1889 0.0801 0.036 Uiso 1 1 calc R
B75 B 0.4865(10) 0.2003(5) 0.0357(3) 0.027(3) Uiso 1 1 d .
H75A H 0.5432 0.1817 0.0248 0.033 Uiso 1 1 calc R
B76 B 0.3616(10) 0.1952(5) 0.0239(3) 0.034(4) Uiso 1 1 d .
H76A H 0.3342 0.1738 0.0048 0.040 Uiso 1 1 calc R
B77 B 0.2887(11) 0.1955(5) 0.0494(3) 0.030(4) Uiso 1 1 d .
H77A H 0.2125 0.1745 0.0478 0.036 Uiso 1 1 calc R
B78 B 0.3699(10) 0.2014(5) 0.0768(3) 0.033(4) Uiso 1 1 d .
H78 H 0.3480 0.1836 0.0936 0.039 Uiso 1 1 calc R
B79 B 0.4435(10) 0.2579(5) 0.0806(3) 0.031(4) Uiso 1 1 d .
H79A H 0.4704 0.2787 0.0998 0.037 Uiso 1 1 calc R
B80 B 0.5172(10) 0.2563(5) 0.0547(3) 0.026(3) Uiso 1 1 d .
H80A H 0.5947 0.2755 0.0562 0.031 Uiso 1 1 calc R
B81 B 0.4309(10) 0.2510(5) 0.0270(3) 0.030(4) Uiso 1 1 d .
H81A H 0.4492 0.2680 0.0097 0.036 Uiso 1 1 calc R
B82 B 0.4071(10) 0.4395(6) 0.0599(3) 0.031(4) Uiso 1 1 d .
H82A H 0.4082 0.4832 0.0614 0.038 Uiso 1 1 calc R
B83 B 0.3166(10) 0.4020(5) 0.0408(3) 0.030(4) Uiso 1 1 d .
H83 H 0.2560 0.4169 0.0290 0.036 Uiso 1 1 calc R
B84 B 0.3179(10) 0.4050(5) 0.0734(3) 0.031(4) Uiso 1 1 d .
H84A H 0.2579 0.4221 0.0836 0.037 Uiso 1 1 calc R
B85 B 0.4438(11) 0.4109(6) 0.0866(3) 0.039(4) Uiso 1 1 d .
H85A H 0.4681 0.4330 0.1057 0.046 Uiso 1 1 calc R
B86 B 0.4395(10) 0.4046(5) 0.0333(3) 0.035(4) Uiso 1 1 d .
H86 H 0.4607 0.4219 0.0164 0.042 Uiso 1 1 calc R
B87 B 0.5189(11) 0.4097(6) 0.0612(3) 0.035(4) Uiso 1 1 d .
H87 H 0.5944 0.4316 0.0633 0.043 Uiso 1 1 calc R
B88 B 0.4976(11) 0.3546(5) 0.0427(3) 0.033(4) Uiso 1 1 d .
H88A H 0.5568 0.3382 0.0319 0.040 Uiso 1 1 calc R
B89 B 0.5022(11) 0.3587(5) 0.0761(3) 0.033(4) Uiso 1 1 d .
H89A H 0.5646 0.3457 0.0881 0.040 Uiso 1 1 calc R
B90 B 0.3739(10) 0.3551(5) 0.0833(3) 0.031(4) Uiso 1 1 d .
H90 H 0.3501 0.3385 0.1002 0.037 Uiso 1 1 calc R
B91 B 0.8660(10) 0.1192(5) 0.0552(3) 0.029(4) Uiso 1 1 d .
H91 H 0.8606 0.0756 0.0547 0.035 Uiso 1 1 calc R
B92 B 0.9768(11) 0.1510(5) 0.0494(3) 0.032(4) Uiso 1 1 d .
H92 H 1.0440 0.1310 0.0449 0.038 Uiso 1 1 calc R
B93 B 0.8678(10) 0.1454(5) 0.0272(3) 0.034(4) Uiso 1 1 d .
H93 H 0.8611 0.1228 0.0079 0.041 Uiso 1 1 calc R
B94 B 0.7652(11) 0.1480(5) 0.0447(3) 0.030(4) Uiso 1 1 d .
H94 H 0.6906 0.1273 0.0375 0.035 Uiso 1 1 calc R
B95 B 0.8069(11) 0.1570(5) 0.0762(3) 0.034(4) Uiso 1 1 d .
H95 H 0.7587 0.1419 0.0898 0.041 Uiso 1 1 calc R
B96 B 0.9370(10) 0.1577(5) 0.0805(3) 0.033(4) Uiso 1 1 d .
H96 H 0.9762 0.1429 0.0969 0.039 Uiso 1 1 calc R
B97 B 0.9447(10) 0.1998(5) 0.0350(3) 0.026(3) Uiso 1 1 d .
H97 H 0.9900 0.2140 0.0205 0.031 Uiso 1 1 calc R
B98 B 0.9905(11) 0.2073(5) 0.0669(3) 0.030(4) Uiso 1 1 d .
H98 H 1.0669 0.2256 0.0742 0.036 Uiso 1 1 calc R
B99 B 0.8813(10) 0.2115(5) 0.0843(3) 0.030(4) Uiso 1 1 d .
H99 H 0.8829 0.2338 0.1035 0.036 Uiso 1 1 calc R
B100 B 0.9193(10) 0.3904(6) 0.0579(3) 0.033(4) Uiso 1 1 d .
H100 H 0.9294 0.4340 0.0588 0.040 Uiso 1 1 calc R
B101 B 0.8049(10) 0.3605(5) 0.0626(3) 0.023(3) Uiso 1 1 d .
H101 H 0.7371 0.3808 0.0660 0.027 Uiso 1 1 calc R
B102 B 0.9091(10) 0.3640(5) 0.0848(3) 0.031(4) Uiso 1 1 d .
H102 H 0.9108 0.3876 0.1037 0.037 Uiso 1 1 calc R
B103 B 1.0164(10) 0.3599(5) 0.0685(3) 0.022(3) Uiso 1 1 d .
H103 H 1.0909 0.3804 0.0760 0.027 Uiso 1 1 calc R
B104 B 0.9765(10) 0.3527(5) 0.0371(3) 0.027(3) Uiso 1 1 d .
H104 H 1.0230 0.3678 0.0230 0.033 Uiso 1 1 calc R
B105 B 0.8471(11) 0.3525(6) 0.0327(4) 0.041(4) Uiso 1 1 d .
H105 H 0.8073 0.3665 0.0161 0.050 Uiso 1 1 calc R
B106 B 1.0090(10) 0.3037(5) 0.0520(3) 0.030(4) Uiso 1 1 d .
H106 H 1.0783 0.2851 0.0481 0.036 Uiso 1 1 calc R
B107 B 0.9663(10) 0.3104(5) 0.0824(3) 0.032(4) Uiso 1 1 d .
H107 H 1.0058 0.2974 0.0992 0.038 Uiso 1 1 calc R
B108 B 0.8350(10) 0.3105(5) 0.0775(3) 0.032(4) Uiso 1 1 d .
H108 H 0.7853 0.2965 0.0911 0.039 Uiso 1 1 calc R
B109 B 0.0174(13) 0.8341(7) 0.3710(4) 0.060(5) Uiso 1 1 d .
H10A H 0.0030 0.7904 0.3671 0.072 Uiso 1 1 calc R
B110 B 0.1361(12) 0.8641(6) 0.3691(3) 0.042(4) Uiso 1 1 d .
H110 H 0.2018 0.8440 0.3635 0.051 Uiso 1 1 calc R
B111 B 0.0349(10) 0.8694(5) 0.3475(3) 0.034(4) Uiso 1 1 d .
H111 H 0.0338 0.8526 0.3273 0.041 Uiso 1 1 calc R
B112 B -0.0726(13) 0.8719(6) 0.3622(4) 0.047(5) Uiso 1 1 d .
H112 H -0.1463 0.8570 0.3516 0.057 Uiso 1 1 calc R
B113 B -0.0414(13) 0.8662(7) 0.3932(4) 0.055(5) Uiso 1 1 d .
H113 H -0.0963 0.8456 0.4036 0.066 Uiso 1 1 calc R
B114 B 0.0898(14) 0.8627(7) 0.3986(4) 0.069(6) Uiso 1 1 d .
H11B H 0.1248 0.8409 0.4131 0.082 Uiso 1 1 calc R
B115 B 0.0430(11) 0.9176(6) 0.4083(4) 0.043(4) Uiso 1 1 d .
H115 H 0.0471 0.9325 0.4288 0.051 Uiso 1 1 calc R
B116 B -0.0614(12) 0.9224(6) 0.3861(3) 0.042(4) Uiso 1 1 d .
H116 H -0.1281 0.9410 0.3922 0.051 Uiso 1 1 calc R
B117 B -0.0136(11) 0.9253(6) 0.3565(3) 0.040(4) Uiso 1 1 d .
H117 H -0.0476 0.9476 0.3420 0.049 Uiso 1 1 calc R
B118 B 0.1067(13) 1.1057(7) 0.3979(4) 0.057(5) Uiso 1 1 d .
H11A H 0.1182 1.1495 0.4018 0.068 Uiso 1 1 calc R
B119 B -0.0084(12) 1.0767(6) 0.4005(4) 0.049(5) Uiso 1 1 d .
H119 H -0.0741 1.0977 0.4053 0.059 Uiso 1 1 calc R
B120 B 0.0943(11) 1.0729(6) 0.4227(4) 0.044(4) Uiso 1 1 d .
H12A H 0.0981 1.0910 0.4427 0.052 Uiso 1 1 calc R
B121 B 0.2006(13) 1.0709(6) 0.4059(4) 0.047(5) Uiso 1 1 d .
H121 H 0.2764 1.0877 0.4145 0.057 Uiso 1 1 calc R
B122 B 0.1663(12) 1.0733(6) 0.3753(4) 0.051(5) Uiso 1 1 d .
H12C H 0.2186 1.0911 0.3633 0.061 Uiso 1 1 calc R
B123 B 0.0388(13) 1.0775(7) 0.3715(4) 0.062(5) Uiso 1 1 d .
H12D H 0.0053 1.0991 0.3567 0.074 Uiso 1 1 calc R
B124 B -0.0220(12) 1.0241(6) 0.3793(4) 0.046(4) Uiso 1 1 d .
H124 H -0.0971 1.0087 0.3698 0.055 Uiso 1 1 calc R
B125 B 0.0124(11) 1.0219(5) 0.4118(3) 0.034(4) Uiso 1 1 d .
H125 H -0.0382 1.0055 0.4247 0.041 Uiso 1 1 calc R
B126 B 0.1452(11) 1.0185(6) 0.4149(3) 0.039(4) Uiso 1 1 d .
H12B H 0.1848 0.9991 0.4298 0.047 Uiso 1 1 calc R
B127 B 0.5484(12) 0.7820(7) 0.3836(4) 0.051(5) Uiso 1 1 d .
H127 H 0.5448 0.7386 0.3835 0.061 Uiso 1 1 calc R
B128 B 0.5051(12) 0.8059(6) 0.3561(4) 0.044(4) Uiso 1 1 d .
H128 H 0.4746 0.7820 0.3378 0.053 Uiso 1 1 calc R
B129 B 0.6333(11) 0.8116(5) 0.3670(3) 0.033(4) Uiso 1 1 d .
H129 H 0.6884 0.7921 0.3558 0.040 Uiso 1 1 calc R
B130 B 0.6452(12) 0.8191(6) 0.3995(4) 0.045(4) Uiso 1 1 d .
H130 H 0.7090 0.8042 0.4101 0.053 Uiso 1 1 calc R
B131 B 0.5270(14) 0.8186(7) 0.4105(4) 0.067(6) Uiso 1 1 d .
H13A H 0.5111 0.8031 0.4283 0.081 Uiso 1 1 calc R
B132 B 0.4404(14) 0.8119(7) 0.3840(4) 0.059(5) Uiso 1 1 d .
H132 H 0.3648 0.7914 0.3842 0.070 Uiso 1 1 calc R
B133 B 0.4560(11) 0.8604(6) 0.3666(3) 0.037(4) Uiso 1 1 d .
H133 H 0.3923 0.8730 0.3550 0.045 Uiso 1 1 calc R
B134 B 0.4672(11) 0.8695(6) 0.4007(3) 0.041(4) Uiso 1 1 d .
H134 H 0.4121 0.8884 0.4121 0.049 Uiso 1 1 calc R
B135 B 0.5991(12) 0.8737(6) 0.4100(4) 0.046(4) Uiso 1 1 d .
H135 H 0.6333 0.8969 0.4281 0.055 Uiso 1 1 calc R
B136 B 0.5748(13) 1.0524(8) 0.3839(4) 0.062(5) Uiso 1 1 d .
H136 H 0.5798 1.0961 0.3847 0.074 Uiso 1 1 calc R
B137 B 0.5942(11) 1.0130(6) 0.3565(4) 0.043(4) Uiso 1 1 d .
H137 H 0.6134 1.0268 0.3386 0.051 Uiso 1 1 calc R
B138 B 0.6798(13) 1.0215(6) 0.3829(4) 0.047(5) Uiso 1 1 d .
H138 H 0.7562 1.0410 0.3826 0.057 Uiso 1 1 calc R
B139 B 0.6166(12) 1.0269(7) 0.4099(4) 0.052(5) Uiso 1 1 d .
H139 H 0.6512 1.0502 0.4280 0.062 Uiso 1 1 calc R
B140 B 0.4881(13) 1.0224(7) 0.3996(4) 0.055(5) Uiso 1 1 d .
H140 H 0.4347 1.0437 0.4106 0.066 Uiso 1 1 calc R
B141 B 0.4758(12) 1.0151(6) 0.3668(4) 0.047(5) Uiso 1 1 d .
H141 H 0.4158 1.0317 0.3557 0.057 Uiso 1 1 calc R
B142 B 0.5160(11) 0.9574(6) 0.3557(3) 0.036(4) Uiso 1 1 d .
H142 H 0.4836 0.9341 0.3374 0.043 Uiso 1 1 calc R
B143 B 0.4470(11) 0.9643(6) 0.3838(3) 0.038(4) Uiso 1 1 d .
H14B H 0.3693 0.9467 0.3841 0.046 Uiso 1 1 calc R
B144 B 0.5403(11) 0.9730(6) 0.4102(4) 0.045(4) Uiso 1 1 d .
H14A H 0.5244 0.9603 0.4285 0.054 Uiso 1 1 calc R
B145 B 0.2184(10) 0.7478(5) 0.2776(3) 0.027(3) Uiso 1 1 d .
H145 H 0.2073 0.7044 0.2776 0.033 Uiso 1 1 calc R
B146 B 0.2581(10) 0.7732(5) 0.2508(3) 0.030(4) Uiso 1 1 d .
H146 H 0.2744 0.7491 0.2332 0.036 Uiso 1 1 calc R
B147 B 0.3382(10) 0.7795(5) 0.2796(3) 0.026(3) Uiso 1 1 d .
H147 H 0.4078 0.7594 0.2811 0.032 Uiso 1 1 calc R
B148 B 0.1396(9) 0.7865(5) 0.2926(3) 0.021(3) Uiso 1 1 d .
H148 H 0.0770 0.7721 0.3027 0.025 Uiso 1 1 calc R
B149 B 0.2668(10) 0.7878(5) 0.3054(3) 0.027(3) Uiso 1 1 d .
H149 H 0.2883 0.7749 0.3240 0.033 Uiso 1 1 calc R
B150 B 0.1351(10) 0.7780(5) 0.2595(3) 0.022(3) Uiso 1 1 d .
H150 H 0.0686 0.7570 0.2475 0.026 Uiso 1 1 calc R
B151 B 0.1293(9) 0.8353(5) 0.2758(3) 0.022(3) Uiso 1 1 d .
H15F H 0.0584 0.8543 0.2752 0.026 Uiso 1 1 calc R
B152 B 0.2009(10) 0.8269(5) 0.2490(3) 0.027(3) Uiso 1 1 d .
H15A H 0.1787 0.8389 0.2302 0.032 Uiso 1 1 calc R
B153 B 0.3287(9) 0.8284(5) 0.2627(3) 0.021(3) Uiso 1 1 d .
H153 H 0.3936 0.8423 0.2532 0.025 Uiso 1 1 calc R
B154 B 0.2840(10) 1.0199(5) 0.2763(3) 0.026(3) Uiso 1 1 d .
H15C H 0.2920 1.0632 0.2759 0.031 Uiso 1 1 calc R
B155 B 0.3605(9) 0.9806(5) 0.2605(3) 0.021(3) Uiso 1 1 d .
H15D H 0.4216 0.9945 0.2497 0.026 Uiso 1 1 calc R
B156 B 0.2325(9) 0.9789(5) 0.2497(3) 0.023(3) Uiso 1 1 d .
H15B H 0.2072 0.9925 0.2315 0.027 Uiso 1 1 calc R
B157 B 0.3734(11) 0.9911(5) 0.2931(3) 0.031(4) Uiso 1 1 d .
H15G H 0.4426 1.0117 0.3041 0.037 Uiso 1 1 calc R
B158 B 0.1677(10) 0.9881(5) 0.2766(3) 0.023(3) Uiso 1 1 d .
H158 H 0.0985 1.0085 0.2768 0.028 Uiso 1 1 calc R
B159 B 0.2558(10) 0.9955(5) 0.3030(3) 0.031(4) Uiso 1 1 d .
H15E H 0.2471 1.0202 0.3211 0.038 Uiso 1 1 calc R
B160 B 0.2884(10) 0.9255(5) 0.2495(3) 0.029(4) Uiso 1 1 d .
H16A H 0.3019 0.9024 0.2313 0.035 Uiso 1 1 calc R
B161 B 0.1652(10) 0.9301(5) 0.2599(3) 0.024(3) Uiso 1 1 d .
H16C H 0.0954 0.9108 0.2487 0.029 Uiso 1 1 calc R
B162 B 0.1803(10) 0.9402(5) 0.2929(3) 0.028(3) Uiso 1 1 d .
H16B H 0.1201 0.9271 0.3041 0.034 Uiso 1 1 calc R
B163 B 0.7412(9) 0.7166(5) 0.2753(3) 0.024(3) Uiso 1 1 d .
H163 H 0.7366 0.6731 0.2748 0.029 Uiso 1 1 calc R
B164 B 0.7515(11) 0.7422(6) 0.2474(3) 0.038(4) Uiso 1 1 d .
H16F H 0.7539 0.7179 0.2288 0.045 Uiso 1 1 calc R
B165 B 0.8526(10) 0.7507(5) 0.2720(3) 0.028(4) Uiso 1 1 d .
H16H H 0.9239 0.7328 0.2700 0.034 Uiso 1 1 calc R
B166 B 0.6408(11) 0.7452(5) 0.2625(3) 0.033(4) Uiso 1 1 d .
H16D H 0.5687 0.7229 0.2542 0.039 Uiso 1 1 calc R
B167 B 0.8043(10) 0.7568(5) 0.3010(3) 0.026(3) Uiso 1 1 d .
H16G H 0.8421 0.7438 0.3181 0.032 Uiso 1 1 calc R
B168 B 0.6730(10) 0.7542(5) 0.2955(3) 0.034(4) Uiso 1 1 d .
H168 H 0.6242 0.7391 0.3091 0.040 Uiso 1 1 calc R
B169 B 0.6410(10) 0.8032(5) 0.2792(3) 0.024(3) Uiso 1 1 d .
H16E H 0.5703 0.8211 0.2820 0.029 Uiso 1 1 calc R
B170 B 0.6903(11) 0.7953(5) 0.2484(3) 0.036(4) Uiso 1 1 d .
H17A H 0.6535 0.8066 0.2308 0.043 Uiso 1 1 calc R
B171 B 0.8236(10) 0.7984(5) 0.2558(3) 0.032(4) Uiso 1 1 d .
H171 H 0.8766 0.8129 0.2430 0.038 Uiso 1 1 calc R
B172 B 0.7730(9) 0.9892(5) 0.2768(3) 0.021(3) Uiso 1 1 d .
H172 H 0.7769 1.0327 0.2773 0.025 Uiso 1 1 calc R
B173 B 0.8382(10) 0.9523(5) 0.2568(3) 0.029(4) Uiso 1 1 d .
H173 H 0.8881 0.9683 0.2437 0.035 Uiso 1 1 calc R
B174 B 0.7082(11) 0.9496(5) 0.2515(3) 0.034(4) Uiso 1 1 d .
H174 H 0.6707 0.9642 0.2348 0.041 Uiso 1 1 calc R
B175 B 0.8737(10) 0.9602(5) 0.2881(3) 0.028(3) Uiso 1 1 d .
H17B H 0.9472 0.9812 0.2961 0.034 Uiso 1 1 calc R
B176 B 0.6629(10) 0.9563(5) 0.2817(3) 0.026(3) Uiso 1 1 d .
H176 H 0.5945 0.9758 0.2855 0.031 Uiso 1 1 calc R
B177 B 0.7666(9) 0.9623(5) 0.3045(3) 0.023(3) Uiso 1 1 d .
H177 H 0.7686 0.9847 0.3237 0.028 Uiso 1 1 calc R
B178 B 0.7658(10) 0.8963(5) 0.2479(3) 0.029(4) Uiso 1 1 d .
H178 H 0.7673 0.8739 0.2289 0.035 Uiso 1 1 calc R
B179 B 0.6540(10) 0.8992(5) 0.2634(3) 0.029(4) Uiso 1 1 d .
H179 H 0.5797 0.8799 0.2549 0.034 Uiso 1 1 calc R
B180 B 0.6929(10) 0.9072(5) 0.2960(3) 0.026(3) Uiso 1 1 d .
H180 H 0.6446 0.8922 0.3096 0.031 Uiso 1 1 calc R
B181 B 0.3701(10) 0.6200(6) 0.0591(3) 0.031(4) Uiso 1 1 d .
H181 H 0.3633 0.5770 0.0604 0.037 Uiso 1 1 calc R
B182 B 0.4864(11) 0.6530(5) 0.0583(3) 0.032(4) Uiso 1 1 d .
H182 H 0.5581 0.6348 0.0590 0.038 Uiso 1 1 calc R
B183 B 0.4001(11) 0.6438(6) 0.0312(4) 0.044(4) Uiso 1 1 d .
H183 H 0.4143 0.6191 0.0136 0.053 Uiso 1 1 calc R
B184 B 0.2798(11) 0.6466(6) 0.0406(3) 0.038(4) Uiso 1 1 d .
H184 H 0.2134 0.6238 0.0293 0.046 Uiso 1 1 calc R
B185 B 0.2915(10) 0.6590(5) 0.0737(3) 0.027(3) Uiso 1 1 d .
H185 H 0.2314 0.6442 0.0845 0.032 Uiso 1 1 calc R
B186 B 0.4203(10) 0.6628(5) 0.0856(3) 0.027(3) Uiso 1 1 d .
H186 H 0.4477 0.6518 0.1042 0.033 Uiso 1 1 calc R
B187 B 0.3431(10) 0.6948(5) 0.0307(3) 0.032(4) Uiso 1 1 d .
H18A H 0.3182 0.7056 0.0118 0.038 Uiso 1 1 calc R
B188 B 0.2718(10) 0.7050(5) 0.0561(3) 0.030(4) Uiso 1 1 d .
H188 H 0.1989 0.7221 0.0553 0.036 Uiso 1 1 calc R
B189 B 0.3593(9) 0.7151(5) 0.0839(3) 0.023(3) Uiso 1 1 d .
H189 H 0.3469 0.7389 0.1020 0.027 Uiso 1 1 calc R
B190 B 0.4201(10) 0.8898(6) 0.0518(3) 0.035(4) Uiso 1 1 d .
H190 H 0.4276 0.9331 0.0512 0.043 Uiso 1 1 calc R
B191 B 0.3690(11) 0.8474(5) 0.0254(3) 0.035(4) Uiso 1 1 d .
H191 H 0.3435 0.8590 0.0068 0.042 Uiso 1 1 calc R
B192 B 0.3044(11) 0.8572(5) 0.0527(3) 0.034(4) Uiso 1 1 d .
H192 H 0.2345 0.8771 0.0525 0.041 Uiso 1 1 calc R
B193 B 0.3914(11) 0.8656(6) 0.0792(3) 0.039(4) Uiso 1 1 d .
H193 H 0.3803 0.8909 0.0969 0.047 Uiso 1 1 calc R
B194 B 0.5100(11) 0.8614(5) 0.0683(3) 0.031(4) Uiso 1 1 d .
H194 H 0.5798 0.8828 0.0786 0.037 Uiso 1 1 calc R
B195 B 0.4950(10) 0.8506(5) 0.0357(3) 0.028(3) Uiso 1 1 d .
H195 H 0.5534 0.8642 0.0240 0.034 Uiso 1 1 calc R
B196 B 0.3045(11) 0.7990(5) 0.0373(3) 0.032(4) Uiso 1 1 d .
H196 H 0.2354 0.7784 0.0263 0.038 Uiso 1 1 calc R
B197 B 0.3193(10) 0.8101(5) 0.0706(3) 0.032(4) Uiso 1 1 d .
H197 H 0.2601 0.7973 0.0821 0.039 Uiso 1 1 calc R
B198 B 0.4494(11) 0.8140(6) 0.0808(4) 0.039(4) Uiso 1 1 d .
H198 H 0.4790 0.8036 0.0994 0.047 Uiso 1 1 calc R
B199 B 0.8785(10) 0.6645(5) 0.0437(3) 0.026(3) Uiso 1 1 d .
H199 H 0.8712 0.6206 0.0411 0.032 Uiso 1 1 calc R
B200 B 0.9716(10) 0.6985(5) 0.0652(3) 0.029(4) Uiso 1 1 d .
H200 H 1.0284 0.6808 0.0769 0.035 Uiso 1 1 calc R
B201 B 0.9745(9) 0.6951(5) 0.0328(3) 0.021(3) Uiso 1 1 d .
H201 H 1.0335 0.6758 0.0231 0.025 Uiso 1 1 calc R
B202 B 0.8530(9) 0.6938(5) 0.0183(3) 0.021(3) Uiso 1 1 d .
H202 H 0.8308 0.6737 -0.0013 0.025 Uiso 1 1 calc R
B203 B 0.8454(11) 0.6987(6) 0.0717(3) 0.038(4) Uiso 1 1 d .
H203 H 0.8179 0.6804 0.0877 0.046 Uiso 1 1 calc R
B204 B 0.7714(10) 0.6959(5) 0.0423(3) 0.028(3) Uiso 1 1 d .
H204 H 0.6941 0.6763 0.0388 0.033 Uiso 1 1 calc R
B205 B 0.8036(10) 0.7481(5) 0.0294(3) 0.025(3) Uiso 1 1 d .
H205 H 0.7481 0.7645 0.0167 0.030 Uiso 1 1 calc R
B206 B 0.7965(10) 0.7507(5) 0.0630(3) 0.029(4) Uiso 1 1 d .
H206 H 0.7362 0.7677 0.0732 0.035 Uiso 1 1 calc R
B207 B 0.9237(10) 0.7534(5) 0.0769(3) 0.030(4) Uiso 1 1 d .
H207 H 0.9496 0.7730 0.0964 0.036 Uiso 1 1 calc R
B208 B 0.9195(10) 0.9371(6) 0.0572(3) 0.031(4) Uiso 1 1 d .
H208 H 0.9246 0.9809 0.0590 0.037 Uiso 1 1 calc R
B209 B 0.9497(10) 0.9030(5) 0.0308(3) 0.030(4) Uiso 1 1 d .
H209 H 0.9756 0.9202 0.0143 0.036 Uiso 1 1 calc R
B210 B 1.0250(11) 0.9057(5) 0.0584(3) 0.034(4) Uiso 1 1 d .
H210 H 1.1024 0.9253 0.0605 0.041 Uiso 1 1 calc R
B211 B 0.9497(10) 0.9083(5) 0.0838(3) 0.025(3) Uiso 1 1 d .
H372 H 0.9757 0.9302 0.1028 0.030 Uiso 1 1 calc R
B212 B 0.8250(10) 0.9046(5) 0.0705(3) 0.026(3) Uiso 1 1 d .
H369 H 0.7670 0.9237 0.0807 0.031 Uiso 1 1 calc R
B213 B 0.8280(10) 0.9014(5) 0.0370(3) 0.029(4) Uiso 1 1 d .
H370 H 0.7721 0.9181 0.0245 0.035 Uiso 1 1 calc R
B214 B 0.9994(10) 0.8537(5) 0.0728(3) 0.027(3) Uiso 1 1 d .
H21A H 1.0589 0.8376 0.0844 0.033 Uiso 1 1 calc R
B215 B 0.8729(10) 0.8533(5) 0.0807(3) 0.026(3) Uiso 1 1 d .
H373 H 0.8481 0.8378 0.0977 0.031 Uiso 1 1 calc R
B216 B 0.7947(10) 0.8489(5) 0.0509(3) 0.023(3) Uiso 1 1 d .
H371 H 0.7166 0.8302 0.0478 0.027 Uiso 1 1 calc R
C276 C 0.6416(15) 0.1626(8) 0.5148(4) 0.019(5) Uiso 0.50 1 d PD
H27H H 0.6956 0.1794 0.5070 0.028 Uiso 0.50 1 calc PR
H27I H 0.5779 0.1685 0.5061 0.028 Uiso 0.50 1 calc PR
H27J H 0.6475 0.1249 0.5136 0.028 Uiso 0.50 1 calc PR
C275 C 0.6471(17) 0.1850(12) 0.5410(4) 0.070(10) Uiso 0.50 1 d PD
H27K H 0.6076 0.2153 0.5408 0.083 Uiso 0.50 1 calc PR
H27L H 0.6070 0.1587 0.5486 0.083 Uiso 0.50 1 calc PR
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
O1 Gd1 O2 79.1(3) .
O1 Gd1 O6 89.2(3) .
O2 Gd1 O6 77.6(4) .
O1 Gd1 O3 102.8(3) .
O2 Gd1 O3 67.9(3) .
O6 Gd1 O3 140.0(3) .
O1 Gd1 O4 67.6(3) .
O2 Gd1 O4 123.4(3) .
O6 Gd1 O4 142.1(3) .
O3 Gd1 O4 76.5(3) .
O1 Gd1 N16 140.3(3) .
O2 Gd1 N16 138.1(4) .
O6 Gd1 N16 109.1(3) .
O3 Gd1 N16 85.6(3) .
O4 Gd1 N16 77.3(3) .
O1 Gd1 O5 148.8(3) .
O2 Gd1 O5 72.8(3) .
O6 Gd1 O5 71.9(3) .
O3 Gd1 O5 79.0(3) .
O4 Gd1 O5 140.8(3) .
N16 Gd1 O5 70.7(3) .
O1 Gd1 O7 75.3(3) .
O2 Gd1 O7 138.9(3) .
O6 Gd1 O7 70.5(3) .
O3 Gd1 O7 149.3(3) .
O4 Gd1 O7 74.6(3) .
N16 Gd1 O7 78.2(3) .
O5 Gd1 O7 118.6(3) .
O8 Gd2 O10 136.0(3) .
O8 Gd2 O11 148.1(3) .
O10 Gd2 O11 75.3(3) .
O8 Gd2 O13 80.4(3) .
O10 Gd2 O13 138.9(2) .
O11 Gd2 O13 68.0(2) .
O8 Gd2 O12 78.2(3) .
O10 Gd2 O12 81.2(3) .
O11 Gd2 O12 120.4(2) .
O13 Gd2 O12 133.6(3) .
O8 Gd2 O9 71.6(3) .
O10 Gd2 O9 65.1(2) .
O11 Gd2 O9 136.6(2) .
O13 Gd2 O9 137.4(3) .
O12 Gd2 O9 71.3(3) .
O8 Gd2 N11 93.6(3) .
O10 Gd2 N11 115.3(3) .
O11 Gd2 N11 72.0(3) .
O13 Gd2 N11 70.4(3) .
O12 Gd2 N11 70.4(3) .
O9 Gd2 N11 141.0(3) .
O8 Gd2 N10 93.9(3) .
O10 Gd2 N10 81.6(3) .
O11 Gd2 N10 83.6(3) .
O13 Gd2 N10 76.6(3) .
O12 Gd2 N10 145.3(3) .
O9 Gd2 N10 74.1(3) .
N11 Gd2 N10 144.3(3) .
O18 Gd3 O14 134.9(3) .
O18 Gd3 O15 148.4(3) .
O14 Gd3 O15 76.5(3) .
O18 Gd3 O16 82.6(3) .
O14 Gd3 O16 139.5(2) .
O15 Gd3 O16 69.2(2) .
O18 Gd3 O17 72.3(2) .
O14 Gd3 O17 80.6(2) .
O15 Gd3 O17 118.1(2) .
O16 Gd3 O17 134.7(3) .
O18 Gd3 O19 73.0(3) .
O14 Gd3 O19 65.4(2) .
O15 Gd3 O19 137.3(2) .
O16 Gd3 O19 132.7(2) .
O17 Gd3 O19 74.9(3) .
O18 Gd3 N32 105.0(3) .
O14 Gd3 N32 79.0(3) .
O15 Gd3 N32 82.1(3) .
O16 Gd3 N32 75.5(3) .
O17 Gd3 N32 146.8(3) .
O19 Gd3 N32 72.8(3) .
O18 Gd3 N33 86.9(3) .
O14 Gd3 N33 118.0(3) .
O15 Gd3 N33 70.5(3) .
O16 Gd3 N33 70.0(3) .
O17 Gd3 N33 71.5(3) .
O19 Gd3 N33 144.8(3) .
N32 Gd3 N33 141.6(3) .
C211 Co1 C212 49.5(5) .
C211 Co1 C214 94.3(5) .
C212 Co1 C214 94.8(5) .
C211 Co1 B18 129.1(4) .
C212 Co1 B18 92.6(4) .
C214 Co1 B18 50.6(4) .
C211 Co1 C213 91.6(5) .
C212 Co1 C213 127.9(5) .
C214 Co1 C213 49.0(5) .
B18 Co1 C213 88.7(4) .
C211 Co1 B17 176.3(4) .
C212 Co1 B17 129.4(4) .
C214 Co1 B17 89.2(4) .
B18 Co1 B17 53.1(5) .
C213 Co1 B17 91.3(4) .
C211 Co1 B7 89.4(4) .
C212 Co1 B7 51.9(4) .
C214 Co1 B7 129.2(4) .
B18 Co1 B7 89.3(6) .
C213 Co1 B7 178.0(4) .
B17 Co1 B7 87.7(5) .
C211 Co1 B16 127.6(4) .
C212 Co1 B16 175.2(4) .
C214 Co1 B16 89.3(4) .
B18 Co1 B16 92.0(6) .
C213 Co1 B16 53.7(4) .
B17 Co1 B16 53.2(6) .
B7 Co1 B16 126.7(5) .
C211 Co1 B9 51.7(4) .
C212 Co1 B9 89.6(4) .
C214 Co1 B9 127.6(4) .
B18 Co1 B9 177.3(6) .
C213 Co1 B9 88.7(4) .
B17 Co1 B9 126.3(6) .
B7 Co1 B9 93.3(6) .
B16 Co1 B9 85.8(6) .
C211 Co1 B8 89.9(4) .
C212 Co1 B8 89.3(4) .
C214 Co1 B8 175.4(4) .
B18 Co1 B8 127.2(6) .
C213 Co1 B8 129.3(5) .
B17 Co1 B8 86.6(6) .
B7 Co1 B8 52.4(6) .
B16 Co1 B8 86.8(6) .
B9 Co1 B8 54.4(6) .
C218 Co2 C215 95.3(6) .
C218 Co2 C217 50.0(6) .
C215 Co2 C217 129.3(6) .
C218 Co2 B35 90.3(5) .
C215 Co2 B35 173.5(5) .
C217 Co2 B35 53.2(5) .
C218 Co2 B34 50.5(5) .
C215 Co2 B34 90.6(5) .
C217 Co2 B34 90.5(5) .
B35 Co2 B34 95.5(7) .
C218 Co2 C216 93.9(6) .
C215 Co2 C216 49.1(6) .
C217 Co2 C216 92.1(6) .
B35 Co2 C216 127.4(6) .
B34 Co2 C216 126.4(5) .
C218 Co2 B36 91.4(5) .
C215 Co2 B36 129.6(5) .
C217 Co2 B36 91.9(6) .
B35 Co2 B36 53.2(7) .
B34 Co2 B36 57.1(7) .
C216 Co2 B36 174.7(5) .
C218 Co2 B25 129.4(5) .
C215 Co2 B25 49.9(5) .
C217 Co2 B25 179.1(5) .
B35 Co2 B25 127.7(7) .
B34 Co2 B25 89.3(7) .
C216 Co2 B25 87.4(5) .
B36 Co2 B25 88.7(8) .
C218 Co2 B26 176.3(5) .
C215 Co2 B26 88.2(5) .
C217 Co2 B26 128.1(5) .
B35 Co2 B26 86.3(7) .
B34 Co2 B26 128.4(7) .
C216 Co2 B26 89.2(5) .
B36 Co2 B26 85.5(7) .
B25 Co2 B26 52.6(7) .
C218 Co2 B27 129.3(5) .
C215 Co2 B27 87.1(5) .
C217 Co2 B27 90.7(5) .
B35 Co2 B27 86.9(7) .
B34 Co2 B27 177.6(7) .
C216 Co2 B27 51.5(4) .
B36 Co2 B27 124.9(7) .
B25 Co2 B27 89.5(7) .
B26 Co2 B27 51.9(7) .
C219 Co3 C220 49.9(4) .
C219 Co3 C222 130.8(5) .
C220 Co3 C222 95.2(5) .
C219 Co3 B45 89.2(4) .
C220 Co3 B45 50.5(5) .
C222 Co3 B45 90.8(4) .
C219 Co3 B52 176.8(4) .
C220 Co3 B52 129.2(4) .
C222 Co3 B52 51.3(4) .
B45 Co3 B52 88.3(6) .
C219 Co3 C221 94.8(5) .
C220 Co3 C221 94.4(5) .
C222 Co3 C221 48.5(5) .
B45 Co3 C221 126.6(4) .
B52 Co3 C221 88.3(4) .
C219 Co3 B54 89.9(4) .
C220 Co3 B54 128.0(4) .
C222 Co3 B54 88.9(4) .
B45 Co3 B54 178.4(6) .
B52 Co3 B54 92.6(6) .
C221 Co3 B54 52.2(4) .
C219 Co3 B43 53.2(5) .
C220 Co3 B43 90.2(4) .
C222 Co3 B43 174.6(4) .
B45 Co3 B43 92.9(6) .
B52 Co3 B43 124.9(6) .
C221 Co3 B43 130.8(5) .
B54 Co3 B43 87.6(6) .
C219 Co3 B53 127.1(4) .
C220 Co3 B53 174.9(4) .
C222 Co3 B53 89.7(4) .
B45 Co3 B53 128.1(6) .
B52 Co3 B53 53.6(5) .
C221 Co3 B53 90.0(4) .
B54 Co3 B53 53.5(6) .
B43 Co3 B53 84.9(6) .
C219 Co3 B44 90.8(5) .
C220 Co3 B44 90.1(4) .
C222 Co3 B44 127.4(4) .
B45 Co3 B44 54.4(6) .
B52 Co3 B44 86.0(6) .
C221 Co3 B44 174.2(5) .
B54 Co3 B44 126.9(5) .
B43 Co3 B44 52.7(6) .
B53 Co3 B44 85.7(6) .
C225 Co4 C224 93.5(5) .
C225 Co4 C226 49.2(4) .
C224 Co4 C226 95.5(4) .
C225 Co4 C223 96.7(5) .
C224 Co4 C223 49.8(4) .
C226 Co4 C223 133.3(5) .
C225 Co4 B72 51.4(4) .
C224 Co4 B72 126.0(4) .
C226 Co4 B72 88.8(4) .
C223 Co4 B72 90.2(4) .
C225 Co4 B63 126.0(4) .
C224 Co4 B63 51.5(4) .
C226 Co4 B63 89.8(4) .
C223 Co4 B63 88.8(4) .
B72 Co4 B63 177.0(6) .
C225 Co4 B71 88.8(4) .
C224 Co4 B71 175.1(4) .
C226 Co4 B71 89.3(4) .
C223 Co4 B71 125.6(4) .
B72 Co4 B71 52.8(6) .
B63 Co4 B71 129.8(6) .
C225 Co4 B70 88.6(4) .
C224 Co4 B70 130.4(4) .
C226 Co4 B70 51.1(4) .
C223 Co4 B70 174.8(4) .
B72 Co4 B70 92.9(6) .
B63 Co4 B70 88.3(6) .
B71 Co4 B70 54.0(5) .
C225 Co4 B62 173.5(4) .
C224 Co4 B62 90.8(4) .
C226 Co4 B62 125.5(4) .
C223 Co4 B62 89.8(4) .
B72 Co4 B62 128.7(5) .
B63 Co4 B62 54.0(5) .
B71 Co4 B62 87.3(6) .
B70 Co4 B62 84.9(6) .
C225 Co4 B61 131.4(4) .
C224 Co4 B61 89.6(4) .
C226 Co4 B61 174.8(4) .
C223 Co4 B61 51.3(4) .
B72 Co4 B61 88.8(5) .
B63 Co4 B61 92.8(5) .
B71 Co4 B61 85.7(5) .
B70 Co4 B61 124.5(6) .
B62 Co4 B61 53.4(5) .
C230 Co5 C227 130.4(5) .
C230 Co5 C228 94.8(5) .
C227 Co5 C228 49.4(5) .
C230 Co5 C229 49.3(5) .
C227 Co5 C229 94.1(5) .
C228 Co5 C229 93.5(5) .
C230 Co5 B79 175.3(6) .
C227 Co5 B79 52.8(4) .
C228 Co5 B79 89.9(4) .
C229 Co5 B79 129.7(4) .
C230 Co5 B88 52.3(5) .
C227 Co5 B88 175.7(4) .
C228 Co5 B88 129.3(5) .
C229 Co5 B88 90.1(4) .
B79 Co5 B88 124.7(6) .
C230 Co5 B81 90.4(6) .
C227 Co5 B81 88.8(4) .
C228 Co5 B81 50.7(4) .
C229 Co5 B81 126.5(4) .
B79 Co5 B81 93.1(6) .
B88 Co5 B81 87.9(6) .
C230 Co5 B90 88.9(6) .
C227 Co5 B90 90.2(4) .
C228 Co5 B90 127.4(4) .
C229 Co5 B90 51.8(4) .
B79 Co5 B90 87.6(6) .
B88 Co5 B90 93.2(6) .
B81 Co5 B90 178.0(6) .
C230 Co5 B89 90.0(6) .
C227 Co5 B89 127.6(5) .
C228 Co5 B89 175.0(4) .
C229 Co5 B89 90.7(4) .
B79 Co5 B89 85.4(6) .
B88 Co5 B89 53.3(6) .
B81 Co5 B89 127.9(6) .
B90 Co5 B89 54.0(5) .
C230 Co5 B80 127.3(5) .
C227 Co5 B80 90.0(4) .
C228 Co5 B80 89.0(4) .
C229 Co5 B80 175.9(4) .
B79 Co5 B80 53.4(6) .
B88 Co5 B80 85.8(6) .
B81 Co5 B80 53.3(6) .
B90 Co5 B80 128.4(6) .
B89 Co5 B80 86.9(6) .
C233 Co6 C234 50.0(5) .
C233 Co6 C232 94.7(5) .
C234 Co6 C232 95.1(5) .
C233 Co6 C231 95.6(5) .
C234 Co6 C231 131.4(5) .
C232 Co6 C231 48.8(5) .
C233 Co6 B97 127.9(6) .
C234 Co6 B97 90.1(6) .
C232 Co6 B97 51.5(5) .
C231 Co6 B97 88.4(5) .
C233 Co6 B108 50.9(6) .
C234 Co6 B108 89.2(6) .
C232 Co6 B108 127.4(5) .
C231 Co6 B108 91.2(5) .
B97 Co6 B108 178.7(6) .
C233 Co6 B98 174.5(5) .
C234 Co6 B98 126.2(5) .
C232 Co6 B98 89.5(6) .
C231 Co6 B98 89.8(5) .
B97 Co6 B98 52.9(6) .
B108 Co6 B98 128.3(7) .
C233 Co6 B99 128.8(5) .
C234 Co6 B99 176.2(6) .
C232 Co6 B99 88.5(6) .
C231 Co6 B99 50.9(6) .
B97 Co6 B99 92.9(6) .
B108 Co6 B99 87.8(6) .
B98 Co6 B99 54.7(6) .
C233 Co6 B106 89.2(5) .
C234 Co6 B106 52.2(6) .
C232 Co6 B106 130.6(6) .
C231 Co6 B106 175.2(5) .
B97 Co6 B106 88.4(6) .
B108 Co6 B106 92.1(6) .
B98 Co6 B106 85.4(6) .
B99 Co6 B106 125.7(6) .
C233 Co6 B107 89.4(6) .
C234 Co6 B107 90.3(6) .
C232 Co6 B107 174.6(6) .
C231 Co6 B107 127.3(6) .
B97 Co6 B107 127.8(6) .
B108 Co6 B107 53.3(6) .
B98 Co6 B107 86.6(6) .
B99 Co6 B107 86.1(6) .
B106 Co6 B107 52.9(6) .
C235 Co7 C238 128.0(5) .
C235 Co7 C236 49.3(5) .
C238 Co7 C236 92.9(5) .
C235 Co7 B115 53.6(6) .
C238 Co7 B115 176.9(7) .
C236 Co7 B115 89.9(6) .
C235 Co7 C237 93.6(5) .
C238 Co7 C237 49.1(6) .
C236 Co7 C237 94.3(5) .
B115 Co7 C237 129.5(6) .
C235 Co7 B124 175.6(7) .
C238 Co7 B124 52.1(6) .
C236 Co7 B124 127.1(6) .
B115 Co7 B124 126.6(7) .
C237 Co7 B124 89.0(6) .
C235 Co7 B117 89.3(6) .
C238 Co7 B117 89.3(7) .
C236 Co7 B117 50.8(5) .
B115 Co7 B117 93.4(7) .
C237 Co7 B117 127.1(6) .
B124 Co7 B117 86.3(7) .
C235 Co7 B116 91.0(6) .
C238 Co7 B116 127.3(6) .
C236 Co7 B116 88.7(6) .
B115 Co7 B116 53.9(7) .
C237 Co7 B116 175.3(6) .
B124 Co7 B116 86.3(7) .
B117 Co7 B116 52.9(7) .
C235 Co7 B125 130.1(6) .
C238 Co7 B125 89.5(6) .
C236 Co7 B125 176.9(5) .
B115 Co7 B125 87.7(7) .
C237 Co7 B125 88.7(6) .
B124 Co7 B125 53.4(7) .
B117 Co7 B125 127.4(6) .
B116 Co7 B125 88.3(6) .
C235 Co7 B126 92.5(6) .
C238 Co7 B126 87.4(7) .
C236 Co7 B126 129.0(5) .
B115 Co7 B126 90.0(7) .
C237 Co7 B126 50.0(6) .
B124 Co7 B126 91.9(7) .
B117 Co7 B126 176.7(7) .
B116 Co7 B126 129.8(7) .
B125 Co7 B126 53.0(6) .
C241 Co8 C240 127.9(5) .
C241 Co8 C242 49.3(5) .
C240 Co8 C242 92.8(5) .
C241 Co8 C239 92.9(5) .
C240 Co8 C239 49.7(5) .
C242 Co8 C239 93.8(5) .
C241 Co8 B144 52.7(6) .
C240 Co8 B144 176.5(7) .
C242 Co8 B144 89.7(6) .
C239 Co8 B144 127.7(6) .
C241 Co8 B133 176.6(7) .
C240 Co8 B133 52.2(5) .
C242 Co8 B133 127.9(6) .
C239 Co8 B133 89.2(6) .
B144 Co8 B133 127.5(6) .
C241 Co8 B135 91.2(7) .
C240 Co8 B135 88.5(6) .
C242 Co8 B135 128.1(6) .
C239 Co8 B135 50.3(6) .
B144 Co8 B135 88.1(7) .
B133 Co8 B135 92.2(7) .
C241 Co8 B142 90.3(6) .
C240 Co8 B142 89.1(6) .
C242 Co8 B142 52.0(6) .
C239 Co8 B142 127.7(6) .
B144 Co8 B142 94.3(7) .
B133 Co8 B142 86.3(7) .
B135 Co8 B142 177.6(7) .
C241 Co8 B143 91.4(6) .
C240 Co8 B143 128.6(6) .
C242 Co8 B143 91.1(6) .
C239 Co8 B143 174.9(6) .
B144 Co8 B143 53.7(7) .
B133 Co8 B143 86.6(6) .
B135 Co8 B143 126.9(7) .
B142 Co8 B143 55.0(6) .
C241 Co8 B134 128.7(6) .
C240 Co8 B134 90.9(6) .
C242 Co8 B134 176.1(6) .
C239 Co8 B134 89.6(5) .
B144 Co8 B134 86.7(7) .
B133 Co8 B134 53.9(7) .
B135 Co8 B134 53.3(6) .
B142 Co8 B134 126.7(6) .
B143 Co8 B134 85.6(6) .
C245 Co9 C243 96.3(5) .
C245 Co9 C244 94.0(5) .
C243 Co9 C244 49.6(4) .
C245 Co9 C246 49.1(4) .
C243 Co9 C246 132.3(5) .
C244 Co9 C246 95.2(4) .
C245 Co9 B162 52.1(5) .
C243 Co9 B162 91.0(5) .
C244 Co9 B162 127.6(6) .
C246 Co9 B162 89.1(5) .
C245 Co9 B153 126.0(5) .
C243 Co9 B153 88.3(5) .
C244 Co9 B153 50.7(5) .
C246 Co9 B153 89.9(5) .
B162 Co9 B153 177.9(6) .
C245 Co9 B151 130.6(5) .
C243 Co9 B151 51.2(5) .
C244 Co9 B151 89.3(5) .
C246 Co9 B151 175.5(5) .
B162 Co9 B151 88.1(5) .
B153 Co9 B151 93.1(5) .
C245 Co9 B161 89.7(5) .
C243 Co9 B161 126.2(5) .
C244 Co9 B161 174.7(5) .
C246 Co9 B161 90.1(5) .
B162 Co9 B161 52.6(6) .
B153 Co9 B161 129.2(6) .
B151 Co9 B161 85.4(5) .
C245 Co9 B152 173.7(6) .
C243 Co9 B152 90.0(6) .
C244 Co9 B152 90.4(5) .
C246 Co9 B152 126.1(5) .
B162 Co9 B152 127.6(6) .
B153 Co9 B152 54.4(5) .
B151 Co9 B152 53.9(5) .
B161 Co9 B152 86.2(6) .
C245 Co9 B160 89.4(6) .
C243 Co9 B160 174.3(5) .
C244 Co9 B160 129.9(5) .
C246 Co9 B160 52.1(6) .
B162 Co9 B160 92.7(6) .
B153 Co9 B160 88.1(6) .
B151 Co9 B160 124.6(6) .
B161 Co9 B160 53.9(5) .
B152 Co9 B160 84.3(6) .
C248 Co10 C249 93.7(5) .
C248 Co10 C247 49.4(4) .
C249 Co10 C247 94.4(5) .
C248 Co10 C250 94.4(5) .
C249 Co10 C250 48.3(5) .
C247 Co10 C250 129.7(5) .
C248 Co10 B178 129.9(5) .
C249 Co10 B178 88.8(6) .
C247 Co10 B178 176.8(6) .
C250 Co10 B178 52.5(6) .
C248 Co10 B169 89.6(5) .
C249 Co10 B169 129.1(6) .
C247 Co10 B169 52.0(6) .
C250 Co10 B169 175.3(5) .
B178 Co10 B169 125.9(6) .
C248 Co10 B180 127.1(6) .
C249 Co10 B180 51.6(5) .
C247 Co10 B180 90.0(5) .
C250 Co10 B180 88.4(5) .
B178 Co10 B180 92.4(6) .
B169 Co10 B180 87.2(5) .
C248 Co10 B171 50.4(6) .
C249 Co10 B171 126.3(5) .
C247 Co10 B171 88.5(6) .
C250 Co10 B171 90.8(5) .
B178 Co10 B171 89.1(6) .
B169 Co10 B171 93.7(6) .
B180 Co10 B171 177.3(6) .
C248 Co10 B179 175.3(5) .
C249 Co10 B179 89.2(6) .
C247 Co10 B179 126.7(5) .
C250 Co10 B179 90.3(5) .
B178 Co10 B179 53.8(5) .
B169 Co10 B179 85.8(6) .
B180 Co10 B179 52.6(6) .
B171 Co10 B179 129.9(6) .
C248 Co10 B170 89.6(6) .
C249 Co10 B170 174.9(6) .
C247 Co10 B170 90.8(6) .
C250 Co10 B170 127.5(6) .
B178 Co10 B170 86.0(7) .
B169 Co10 B170 54.8(6) .
B180 Co10 B170 128.6(6) .
B171 Co10 B170 53.7(6) .
B179 Co10 B170 87.8(6) .
C252 Co11 C251 49.3(5) .
C252 Co11 B187 50.3(5) .
C251 Co11 B187 87.4(6) .
C252 Co11 C253 93.2(5) .
C251 Co11 C253 93.9(5) .
B187 Co11 C253 127.5(6) .
C252 Co11 C254 94.5(5) .
C251 Co11 C254 129.8(5) .
B187 Co11 C254 92.4(6) .
C253 Co11 C254 48.7(5) .
C252 Co11 B197 175.3(6) .
C251 Co11 B197 127.6(6) .
B187 Co11 B197 128.6(6) .
C253 Co11 B197 90.6(5) .
C254 Co11 B197 90.1(6) .
C252 Co11 B198 126.7(6) .
C251 Co11 B198 89.3(6) .
B187 Co11 B198 176.7(7) .
C253 Co11 B198 52.2(6) .
C254 Co11 B198 89.3(6) .
B197 Co11 B198 54.3(6) .
C252 Co11 B196 129.4(6) .
C251 Co11 B196 176.9(6) .
B187 Co11 B196 89.9(6) .
C253 Co11 B196 89.0(5) .
C254 Co11 B196 51.8(5) .
B197 Co11 B196 53.4(6) .
B198 Co11 B196 93.4(7) .
C252 Co11 B188 89.4(5) .
C251 Co11 B188 89.6(6) .
B187 Co11 B188 53.0(6) .
C253 Co11 B188 176.5(5) .
C254 Co11 B188 128.7(6) .
B197 Co11 B188 87.0(6) .
B198 Co11 B188 127.6(6) .
B196 Co11 B188 87.5(6) .
C252 Co11 B189 89.4(5) .
C251 Co11 B189 52.3(5) .
B187 Co11 B189 91.4(6) .
C253 Co11 B189 129.5(5) .
C254 Co11 B189 175.8(5) .
B197 Co11 B189 86.1(6) .
B198 Co11 B189 87.1(6) .
B196 Co11 B189 126.3(5) .
B188 Co11 B189 52.9(6) .
C255 Co12 C257 131.1(5) .
C255 Co12 C256 49.4(5) .
C257 Co12 C256 94.4(5) .
C255 Co12 C258 95.0(4) .
C257 Co12 C258 50.0(5) .
C256 Co12 C258 94.2(5) .
C255 Co12 B207 51.6(5) .
C257 Co12 B207 175.9(6) .
C256 Co12 B207 89.6(6) .
C258 Co12 B207 128.9(5) .
C255 Co12 B216 174.8(5) .
C257 Co12 B216 52.1(5) .
C256 Co12 B216 128.9(5) .
C258 Co12 B216 90.0(5) .
B207 Co12 B216 125.5(6) .
C255 Co12 B205 89.0(5) .
C257 Co12 B205 89.6(6) .
C256 Co12 B205 51.4(5) .
C258 Co12 B205 127.3(6) .
B207 Co12 B205 93.6(6) .
B216 Co12 B205 86.8(5) .
C255 Co12 B214 90.3(5) .
C257 Co12 B214 89.3(6) .
C256 Co12 B214 126.8(5) .
C258 Co12 B214 50.7(5) .
B207 Co12 B214 87.5(6) .
B216 Co12 B214 94.0(6) .
B205 Co12 B214 177.8(6) .
C255 Co12 B206 89.9(5) .
C257 Co12 B206 126.8(5) .
C256 Co12 B206 90.1(5) .
C258 Co12 B206 174.8(5) .
B207 Co12 B206 54.0(6) .
B216 Co12 B206 85.0(5) .
B205 Co12 B206 54.0(6) .
B214 Co12 B206 128.1(6) .
C255 Co12 B215 126.8(5) .
C257 Co12 B215 90.4(6) .
C256 Co12 B215 175.1(5) .
C258 Co12 B215 89.2(5) .
B207 Co12 B215 85.6(6) .
B216 Co12 B215 54.5(6) .
B205 Co12 B215 128.4(5) .
B214 Co12 B215 53.5(5) .
B206 Co12 B215 86.7(6) .
C260 O20 H20A 109.5 .
C262 O21 H21B 109.5 .
C264 O22 H22A 109.5 .
C266 O23 H23A 109.5 .
C268 O24 H24A 109.5 .
C270 O25 H25A 109.5 .
C272 O26 H26A 109.5 .
C275 O28 H28 109.5 .
C274 O274 H27F 109.5 .
C1 N1 C5 123.6(13) .
C6 N2 C10 122.0(12) .
C16 N3 C20 132.0(13) .
C30 N6 C26 120.6(11) .
C30 N6 H6A 119.7 .
C26 N6 H6A 119.7 .
C31 N7 C35 112.1(14) .
C36 N8 C40 112.3(12) .
C46 N10 C50 111.4(11) .
C46 N10 Gd2 123.2(8) .
C50 N10 Gd2 125.4(8) .
C55 N11 C51 109.3(12) .
C55 N11 Gd2 121.4(8) .
C51 N11 Gd2 125.5(9) .
C56 N12 C60 117.4(13) .
C56 N12 H12 121.3 .
C60 N12 H12 121.3 .
C61 N13 C65 109.7(13) .
C66 N14 C70 125.3(13) .
C71 N15 C75 122.0(11) .
C80 N16 C76 120.6(11) .
C80 N16 Gd1 116.8(9) .
C76 N16 Gd1 122.5(9) .
C81 N17 C85 122.5(11) .
C90 N18 C86 124.6(11) .
C95 N19 C91 123.9(10) .
C96 N20 C100 121.2(10) .
C101 N21 C105 122.2(11) .
C120 N22 C116 122.6(12) .
C125 N23 C121 122.2(10) .
C110 N24 C106 122.7(11) .
C115 N25 C111 122.0(10) .
C126 N26 C130 108.0(15) .
C141 N27 C145 113.1(15) .
C146 N28 C150 111.1(12) .
C131 N29 C135 111.0(13) .
C136 N30 C140 118.3(11) .
C136 N30 H30A 120.9 .
C140 N30 H30A 120.9 .
C155 N31 C151 115.5(11) .
C156 N32 C160 109.5(10) .
C156 N32 Gd3 122.7(7) .
C160 N32 Gd3 127.9(8) .
C161 N33 C165 107.0(12) .
C161 N33 Gd3 123.8(9) .
C165 N33 Gd3 127.5(8) .
C166 N34 C170 115.3(14) .
C166 N34 H34 122.3 .
C170 N34 H34 122.3 .
C175 N35 C171 120.9(11) .
C180 N36 C176 122.8(10) .
C185 N37 C181 122.5(10) .
C190 N38 C186 121.1(10) .
C195 N39 C191 121.9(11) .
C200 N40 C196 122.0(10) .
C201 N41 C205 122.3(11) .
C206 N42 C210 121.8(11) .
C2 C1 N1 122.5(16) .
C2 C1 H300 118.7 .
N1 C1 H300 118.7 .
C1 C2 C3 116.7(16) .
C1 C2 H291 121.6 .
C3 C2 H291 121.6 .
C8 C3 C2 119.6(15) .
C8 C3 C4 120.5(14) .
C2 C3 C4 119.9(13) .
C5 C4 C3 121.9(15) .
C5 C4 H289 119.1 .
C3 C4 H289 119.1 .
C4 C5 N1 115.3(16) .
C4 C5 H328 122.4 .
N1 C5 H328 122.4 .
C7 C6 N2 120.0(16) .
C7 C6 H292 120.0 .
N2 C6 H292 120.0 .
C6 C7 C8 118.2(15) .
C6 C7 H290 120.9 .
C8 C7 H290 120.9 .
C9 C8 C3 119.4(14) .
C9 C8 C7 122.0(13) .
C3 C8 C7 118.6(14) .
C10 C9 C8 116.3(15) .
C10 C9 H123 121.9 .
C8 C9 H123 121.9 .
C9 C10 N2 121.4(14) .
C9 C10 H118 119.3 .
N2 C10 H118 119.3 .
C11 N4 C15 120.0 .
N4 C11 C12 120.0 .
N4 C11 H11 120.0 .
C12 C11 H11 120.0 .
C13 C12 C11 120.0 .
C13 C12 H398 120.0 .
C11 C12 H398 120.0 .
C18 C13 C14 119.3(9) .
C18 C13 C12 120.6(9) .
C14 C13 C12 120.0 .
C13 C14 C15 120.0 .
C13 C14 H14 120.0 .
C15 C14 H14 120.0 .
C14 C15 N4 120.0 .
C14 C15 H384 120.0 .
N4 C15 H384 120.0 .
N3 C16 C17 114.0(13) .
N3 C16 H269 123.0 .
C17 C16 H269 123.0 .
C18 C17 C16 114.0(15) .
C18 C17 H270 123.0 .
C16 C17 H270 123.0 .
C13 C18 C19 115.2(14) .
C13 C18 C17 116.4(14) .
C19 C18 C17 128.4(14) .
C20 C19 C18 116.8(16) .
C20 C19 H380 121.6 .
C18 C19 H380 121.6 .
C19 C20 N3 114.8(16) .
C19 C20 H381 122.6 .
N3 C20 H381 122.6 .
C21 N5 C25 120.0 .
C22 C21 N5 120.0 .
C22 C21 H21 120.0 .
N5 C21 H21 120.0 .
C21 C22 C23 120.0 .
C21 C22 H22 120.0 .
C23 C22 H22 120.0 .
C24 C23 C22 120.0 .
C24 C23 C28 120.8(5) .
C22 C23 C28 119.2(5) .
C23 C24 C25 120.0 .
C23 C24 H24 120.0 .
C25 C24 H24 120.0 .
C24 C25 N5 120.0 .
C24 C25 H25 120.0 .
N5 C25 H25 120.0 .
N6 C26 C27 120.0(10) .
N6 C26 H383 120.0 .
C27 C26 H383 120.0 .
C28 C27 C26 121.3(12) .
C28 C27 H382 119.3 .
C26 C27 H382 119.3 .
C29 C28 C27 116.7(12) .
C29 C28 C23 122.4(10) .
C27 C28 C23 120.8(10) .
C28 C29 C30 120.2(12) .
C28 C29 H385 119.9 .
C30 C29 H385 119.9 .
N6 C30 C29 121.1(12) .
N6 C30 H386 119.5 .
C29 C30 H386 119.5 .
N7 C31 C32 121.8(15) .
N7 C31 H351 119.1 .
C32 C31 H351 119.1 .
C33 C32 C31 125.4(14) .
C33 C32 H389 117.3 .
C31 C32 H389 117.3 .
C34 C33 C32 114.3(14) .
C34 C33 C38 120.4(12) .
C32 C33 C38 125.3(11) .
C33 C34 C35 118.3(16) .
C33 C34 H354 120.8 .
C35 C34 H354 120.8 .
N7 C35 C34 127.9(16) .
N7 C35 H353 116.0 .
C34 C35 H353 116.0 .
N8 C36 C37 121.9(12) .
N8 C36 H388 119.1 .
C37 C36 H388 119.1 .
C38 C37 C36 124.0(12) .
C38 C37 H346 118.0 .
C36 C37 H346 118.0 .
C39 C38 C37 115.9(12) .
C39 C38 C33 119.4(10) .
C37 C38 C33 124.8(10) .
C38 C39 C40 117.1(11) .
C38 C39 H347 121.4 .
C40 C39 H347 121.4 .
N8 C40 C39 128.8(11) .
N8 C40 H348 115.6 .
C39 C40 H348 115.6 .
C41 N9 C45 120.0 .
C42 C41 N9 120.0 .
C42 C41 H41 120.0 .
N9 C41 H41 120.0 .
C41 C42 C43 120.0 .
C41 C42 H42 120.0 .
C43 C42 H42 120.0 .
C44 C43 C42 120.0 .
C44 C43 C48 118.8(7) .
C42 C43 C48 121.2(7) .
C45 C44 C43 120.0 .
C45 C44 H44 120.0 .
C43 C44 H44 120.0 .
C44 C45 N9 120.0 .
C44 C45 H45 120.0 .
N9 C45 H45 120.0 .
N10 C46 C47 124.8(11) .
N10 C46 H46 117.6 .
C47 C46 H46 117.6 .
C48 C47 C46 125.0(11) .
C48 C47 H47 117.5 .
C46 C47 H47 117.5 .
C49 C48 C47 110.9(11) .
C49 C48 C43 122.9(10) .
C47 C48 C43 126.2(10) .
C48 C49 C50 121.2(11) .
C48 C49 H49 119.4 .
C50 C49 H49 119.4 .
N10 C50 C49 126.7(12) .
N10 C50 H50 116.7 .
C49 C50 H50 116.7 .
N11 C51 C52 127.6(12) .
N11 C51 H51 116.2 .
C52 C51 H51 116.2 .
C53 C52 C51 121.7(11) .
C53 C52 H52 119.2 .
C51 C52 H52 119.2 .
C54 C53 C52 111.5(13) .
C54 C53 C58 126.0(11) .
C52 C53 C58 122.4(11) .
C53 C54 C55 123.5(12) .
C53 C54 H54 118.2 .
C55 C54 H54 118.2 .
N11 C55 C54 126.2(12) .
N11 C55 H55 116.9 .
C54 C55 H55 116.9 .
N12 C56 C57 123.5(13) .
N12 C56 H265 118.2 .
C57 C56 H265 118.2 .
C58 C57 C56 119.1(14) .
C58 C57 H266 120.4 .
C56 C57 H266 120.4 .
C59 C58 C57 115.6(13) .
C59 C58 C53 124.5(11) .
C57 C58 C53 119.8(12) .
C58 C59 C60 119.8(12) .
C58 C59 H267 120.1 .
C60 C59 H267 120.1 .
N12 C60 C59 124.4(13) .
N12 C60 H264 117.8 .
C59 C60 H264 117.8 .
N13 C61 C62 125.6(14) .
N13 C61 H262 117.2 .
C62 C61 H262 117.2 .
C63 C62 C61 124.2(13) .
C63 C62 H260 117.9 .
C61 C62 H260 117.9 .
C64 C63 C62 111.1(13) .
C64 C63 C63 123.4(13) 2_655
C62 C63 C63 125.4(13) 2_655
C63 C64 C65 121.0(12) .
C63 C64 H263 119.5 .
C65 C64 H263 119.5 .
N13 C65 C64 128.1(13) .
N13 C65 H261 116.0 .
C64 C65 H261 116.0 .
N14 C66 C67 121.0(16) .
N14 C66 H259 119.5 .
C67 C66 H259 119.5 .
C66 C67 C68 115.1(14) .
C66 C67 H360 122.4 .
C68 C67 H360 122.4 .
C69 C68 C73 121.2(13) .
C69 C68 C67 121.5(12) .
C73 C68 C67 117.3(13) .
C70 C69 C68 119.5(15) .
C70 C69 H362 120.3 .
C68 C69 H362 120.3 .
C69 C70 N14 117.4(15) .
C69 C70 H363 121.3 .
N14 C70 H363 121.3 .
C72 C71 N15 122.3(14) .
C72 C71 H359 118.9 .
N15 C71 H359 118.9 .
C71 C72 C73 115.7(13) .
C71 C72 H361 122.1 .
C73 C72 H361 122.1 .
C68 C73 C74 121.1(13) .
C68 C73 C72 117.2(12) .
C74 C73 C72 121.7(11) .
C75 C74 C73 117.4(15) .
C75 C74 H74 121.3 .
C73 C74 H74 121.3 .
C74 C75 N15 120.8(15) .
C74 C75 H75 119.6 .
N15 C75 H75 119.6 .
C77 C76 N16 122.4(14) .
C77 C76 H76 118.8 .
N16 C76 H76 118.8 .
C76 C77 C78 115.4(13) .
C76 C77 H77 122.3 .
C78 C77 H77 122.3 .
C83 C78 C77 119.5(12) .
C83 C78 C79 117.5(12) .
C77 C78 C79 123.0(11) .
C80 C79 C78 116.7(13) .
C80 C79 H79 121.6 .
C78 C79 H79 121.6 .
C79 C80 N16 121.8(14) .
C79 C80 H80 119.1 .
N16 C80 H80 119.1 .
C82 C81 N17 121.1(14) .
C82 C81 H81 119.5 .
N17 C81 H81 119.5 .
C81 C82 C83 118.3(14) .
C81 C82 H82 120.8 .
C83 C82 H82 120.8 .
C78 C83 C82 120.5(13) .
C78 C83 C84 119.7(13) .
C82 C83 C84 119.8(11) .
C85 C84 C83 119.6(14) .
C85 C84 H84 120.2 .
C83 C84 H84 120.2 .
C84 C85 N17 118.5(14) .
C84 C85 H85 120.8 .
N17 C85 H85 120.8 .
C87 C86 N18 117.0(13) .
C87 C86 H274 121.5 .
N18 C86 H274 121.5 .
C86 C87 C88 119.9(13) .
C86 C87 H272 120.1 .
C88 C87 H272 120.1 .
C87 C88 C93 119.8(12) .
C87 C88 C89 122.0(11) .
C93 C88 C89 118.2(12) .
C90 C89 C88 115.8(13) .
C90 C89 H89 122.1 .
C88 C89 H89 122.1 .
C89 C90 N18 120.6(13) .
C89 C90 H273 119.7 .
N18 C90 H273 119.7 .
C92 C91 N19 119.1(12) .
C92 C91 H287 120.5 .
N19 C91 H287 120.5 .
C91 C92 C93 117.2(12) .
C91 C92 H285 121.4 .
C93 C92 H285 121.4 .
C92 C93 C88 119.5(11) .
C92 C93 C94 123.6(10) .
C88 C93 C94 116.7(11) .
C95 C94 C93 114.1(12) .
C95 C94 H286 123.0 .
C93 C94 H286 123.0 .
C94 C95 N19 122.1(13) .
C94 C95 H288 119.0 .
N19 C95 H288 119.0 .
C97 C96 N20 121.4(13) .
C97 C96 H276 119.3 .
N20 C96 H276 119.3 .
C96 C97 C98 115.2(12) .
C96 C97 H277 122.4 .
C98 C97 H277 122.4 .
C99 C98 C103 117.4(12) .
C99 C98 C97 124.0(10) .
C103 C98 C97 118.6(11) .
C100 C99 C98 115.3(14) .
C100 C99 H275 122.3 .
C98 C99 H275 122.3 .
C99 C100 N20 122.9(14) .
C99 C100 H282 118.6 .
N20 C100 H282 118.6 .
C102 C101 N21 121.1(14) .
C102 C101 H279 119.4 .
N21 C101 H279 119.4 .
C101 C102 C103 116.2(13) .
C101 C102 H280 121.9 .
C103 C102 H280 121.9 .
C102 C103 C104 123.5(10) .
C102 C103 C98 119.0(11) .
C104 C103 C98 117.5(12) .
C105 C104 C103 115.6(14) .
C105 C104 H281 122.2 .
C103 C104 H281 122.2 .
C104 C105 N21 121.3(14) .
C104 C105 H278 119.3 .
N21 C105 H278 119.3 .
C107 C106 N24 120.7(13) .
C107 C106 H284 119.7 .
N24 C106 H284 119.7 .
C106 C107 C108 116.5(12) .
C106 C107 H283 121.8 .
C108 C107 H283 121.8 .
C113 C108 C107 118.0(11) .
C113 C108 C109 119.5(11) .
C107 C108 C109 122.5(10) .
C110 C109 C108 116.1(12) .
C110 C109 H109 122.0 .
C108 C109 H109 122.0 .
C109 C110 N24 121.5(13) .
C109 C110 H309 119.2 .
N24 C110 H309 119.2 .
C112 C111 N25 122.0(13) .
C112 C111 H308 119.0 .
N25 C111 H308 119.0 .
C111 C112 C113 116.6(12) .
C111 C112 H294 121.7 .
C113 C112 H294 121.7 .
C108 C113 C112 118.2(11) .
C108 C113 C114 119.7(11) .
C112 C113 C114 122.1(10) .
C115 C114 C113 116.8(12) .
C115 C114 H114 121.6 .
C113 C114 H114 121.6 .
C114 C115 N25 120.5(13) .
C114 C115 H293 119.8 .
N25 C115 H293 119.8 .
C117 C116 N22 120.5(14) .
C117 C116 H345 119.8 .
N22 C116 H345 119.8 .
C116 C117 C118 117.7(13) .
C116 C117 H342 121.1 .
C118 C117 H342 121.1 .
C123 C118 C117 120.1(12) .
C123 C118 C119 119.0(12) .
C117 C118 C119 120.8(11) .
C120 C119 C118 117.7(14) .
C120 C119 H344 121.1 .
C118 C119 H344 121.1 .
C119 C120 N22 120.7(15) .
C119 C120 H120 119.6 .
N22 C120 H120 119.6 .
C122 C121 N23 120.0(13) .
C122 C121 H311 120.0 .
N23 C121 H311 120.0 .
C121 C122 C123 117.4(13) .
C121 C122 H122 121.3 .
C123 C122 H122 121.3 .
C118 C123 C122 118.1(12) .
C118 C123 C124 119.5(11) .
C122 C123 C124 122.5(10) .
C125 C124 C123 117.1(12) .
C125 C124 H310 121.4 .
C123 C124 H310 121.4 .
C124 C125 N23 120.8(12) .
C124 C125 H343 119.6 .
N23 C125 H343 119.6 .
N26 C126 C127 126.8(16) .
N26 C126 C130 36.8(9) .
C127 C126 C130 90.1(12) .
N26 C126 H126 116.6 .
C127 C126 H126 116.6 .
C130 C126 H126 153.2 .
C128 C127 C126 125.0(14) .
C128 C127 H377 117.5 .
C126 C127 H377 117.5 .
C129 C128 C127 109.9(14) .
C129 C128 C128 124.4(15) 2_765
C127 C128 C128 125.7(14) 2_765
C128 C129 C130 121.8(15) .
C128 C129 H391 119.1 .
C130 C129 H391 119.1 .
N26 C130 C129 128.3(15) .
N26 C130 C126 35.2(8) .
C129 C130 C126 93.2(11) .
N26 C130 H390 115.9 .
C129 C130 H390 115.9 .
C126 C130 H390 150.9 .
N29 C131 C132 126.4(13) .
N29 C131 H131 116.8 .
C132 C131 H131 116.8 .
C133 C132 C131 121.0(12) .
C133 C132 H327 119.5 .
C131 C132 H327 119.5 .
C134 C133 C132 113.7(13) .
C134 C133 C138 125.0(11) .
C132 C133 C138 121.4(11) .
C133 C134 C135 122.0(12) .
C133 C134 H324 119.0 .
C135 C134 H324 119.0 .
N29 C135 C134 126.0(13) .
N29 C135 H325 117.0 .
C134 C135 H325 117.0 .
N30 C136 C137 120.9(10) .
N30 C136 H214 119.6 .
C137 C136 H214 119.6 .
C136 C137 C138 121.7(11) .
C136 C137 H322 119.2 .
C138 C137 H322 119.2 .
C139 C138 C137 116.4(12) .
C139 C138 C133 121.1(10) .
C137 C138 C133 122.5(11) .
C138 C139 C140 118.7(11) .
C138 C139 H323 120.7 .
C140 C139 H323 120.7 .
N30 C140 C139 124.1(12) .
N30 C140 H326 118.0 .
C139 C140 H326 118.0 .
N27 C141 C142 124.0(15) .
N27 C141 H374 118.0 .
C142 C141 H374 118.0 .
C143 C142 C141 122.4(14) .
C143 C142 H379 118.8 .
C141 C142 H379 118.8 .
C144 C143 C142 114.2(14) .
C144 C143 C148 120.7(12) .
C142 C143 C148 125.1(11) .
C143 C144 C145 118.9(14) .
C143 C144 H144 120.5 .
C145 C144 H144 120.5 .
N27 C145 C144 127.2(14) .
N27 C145 H299 116.4 .
C144 C145 H299 116.4 .
N28 C146 C147 125.0(13) .
N28 C146 H297 117.5 .
C147 C146 H297 117.5 .
C148 C147 C146 123.4(12) .
C148 C147 H296 118.3 .
C146 C147 H296 118.3 .
C149 C148 C147 113.2(13) .
C149 C148 C143 119.7(11) .
C147 C148 C143 127.1(11) .
C148 C149 C150 119.8(12) .
C148 C149 H298 120.1 .
C150 C149 H298 120.1 .
N28 C150 C149 127.3(12) .
N28 C150 H295 116.3 .
C149 C150 H295 116.3 .
N31 C151 C152 123.2(11) .
N31 C151 H151 118.4 .
C152 C151 H151 118.4 .
C153 C152 C151 119.8(12) .
C153 C152 H152 120.1 .
C151 C152 H152 120.1 .
C154 C153 C152 116.4(11) .
C154 C153 C158 121.3(10) .
C152 C153 C158 122.3(10) .
C153 C154 C155 120.3(12) .
C153 C154 H154 119.8 .
C155 C154 H154 119.8 .
N31 C155 C154 124.7(13) .
N31 C155 H155 117.6 .
C154 C155 H155 117.6 .
N32 C156 C157 126.2(10) .
N32 C156 H156 116.9 .
C157 C156 H156 116.9 .
C156 C157 C158 123.3(11) .
C156 C157 H157 118.3 .
C158 C157 H157 118.3 .
C159 C158 C157 112.5(11) .
C159 C158 C153 122.4(10) .
C157 C158 C153 124.9(10) .
C158 C159 C160 119.9(10) .
C158 C159 H159 120.0 .
C160 C159 H159 120.0 .
N32 C160 C159 128.5(11) .
N32 C160 H160 115.8 .
C159 C160 H160 115.8 .
N33 C161 C162 127.7(12) .
N33 C161 H161 116.2 .
C162 C161 H161 116.2 .
C163 C162 C161 123.2(11) .
C163 C162 H162 118.4 .
C161 C162 H162 118.4 .
C164 C163 C162 109.5(13) .
C164 C163 C168 125.9(12) .
C162 C163 C168 124.3(11) .
C163 C164 C165 124.0(13) .
C163 C164 H164 118.0 .
C165 C164 H164 118.0 .
N33 C165 C164 128.3(12) .
N33 C165 H165 115.8 .
C164 C165 H165 115.8 .
N34 C166 C167 123.1(16) .
N34 C166 H166 118.4 .
C167 C166 H166 118.4 .
C168 C167 C166 122.7(15) .
C168 C167 H167 118.6 .
C166 C167 H167 118.6 .
C167 C168 C169 111.9(13) .
C167 C168 C163 121.5(12) .
C169 C168 C163 126.6(11) .
C168 C169 C170 123.0(11) .
C168 C169 H169 118.5 .
C170 C169 H169 118.5 .
N34 C170 C169 123.3(13) .
N34 C170 H170 118.4 .
C169 C170 H170 118.4 .
C172 C171 N35 123.2(13) .
C172 C171 H306 118.4 .
N35 C171 H306 118.4 .
C171 C172 C173 116.2(13) .
C171 C172 H301 121.9 .
C173 C172 H301 121.9 .
C172 C173 C178 120.1(12) .
C172 C173 C174 122.1(11) .
C178 C173 C174 117.7(11) .
C175 C174 C173 116.4(13) .
C175 C174 H305 121.8 .
C173 C174 H305 121.8 .
C174 C175 N35 121.2(14) .
C174 C175 H175 119.4 .
N35 C175 H175 119.4 .
C177 C176 N36 120.9(12) .
C177 C176 H307 119.6 .
N36 C176 H307 119.6 .
C176 C177 C178 116.5(13) .
C176 C177 H302 121.7 .
C178 C177 H302 121.7 .
C177 C178 C173 118.6(11) .
C177 C178 C179 122.7(10) .
C173 C178 C179 118.8(11) .
C180 C179 C178 117.9(12) .
C180 C179 H303 121.1 .
C178 C179 H303 121.1 .
C179 C180 N36 119.1(12) .
C179 C180 H304 120.4 .
N36 C180 H304 120.4 .
C182 C181 N37 120.4(13) .
C182 C181 H339 119.8 .
N37 C181 H339 119.8 .
C181 C182 C183 116.5(13) .
C181 C182 H336 121.7 .
C183 C182 H336 121.7 .
C188 C183 C182 118.6(11) .
C188 C183 C184 118.2(12) .
C182 C183 C184 123.1(10) .
C185 C184 C183 115.3(13) .
C185 C184 H340 122.4 .
C183 C184 H340 122.4 .
C184 C185 N37 122.2(13) .
C184 C185 H338 118.9 .
N37 C185 H338 118.9 .
C187 C186 N38 121.2(12) .
C187 C186 H335 119.4 .
N38 C186 H335 119.4 .
C186 C187 C188 116.3(12) .
C186 C187 H187 121.8 .
C188 C187 H187 121.8 .
C187 C188 C183 118.0(11) .
C187 C188 C189 122.2(10) .
C183 C188 C189 119.7(11) .
C190 C189 C188 117.8(13) .
C190 C189 H341 121.1 .
C188 C189 H341 121.1 .
C189 C190 N38 121.2(13) .
C189 C190 H337 119.4 .
N38 C190 H337 119.4 .
C192 C191 N39 120.4(14) .
C192 C191 H334 119.8 .
N39 C191 H334 119.8 .
C191 C192 C193 118.5(14) .
C191 C192 H332 120.8 .
C193 C192 H332 120.8 .
C198 C193 C194 118.8(12) .
C198 C193 C192 120.6(12) .
C194 C193 C192 120.6(10) .
C195 C194 C193 116.8(13) .
C195 C194 H329 121.6 .
C193 C194 H329 121.6 .
C194 C195 N39 121.8(14) .
C194 C195 H331 119.1 .
N39 C195 H331 119.1 .
C197 C196 N40 119.1(13) .
C197 C196 H330 120.4 .
N40 C196 H330 120.4 .
C196 C197 C198 118.7(13) .
C196 C197 H333 120.7 .
C198 C197 H333 120.7 .
C197 C198 C193 120.4(12) .
C197 C198 C199 122.2(10) .
C193 C198 C199 117.4(12) .
C200 C199 C198 114.0(13) .
C200 C199 H313 123.0 .
C198 C199 H313 123.0 .
C199 C200 N40 123.9(13) .
C199 C200 H312 118.0 .
N40 C200 H312 118.0 .
C202 C201 N41 120.8(13) .
C202 C201 H315 119.6 .
N41 C201 H315 119.6 .
C201 C202 C203 116.1(12) .
C201 C202 H314 121.9 .
C203 C202 H314 121.9 .
C208 C203 C202 118.5(11) .
C208 C203 C204 118.9(12) .
C202 C203 C204 122.6(10) .
C205 C204 C203 117.2(14) .
C205 C204 H317 121.4 .
C203 C204 H317 121.4 .
C204 C205 N41 120.9(14) .
C204 C205 H318 119.6 .
N41 C205 H318 119.6 .
C207 C206 N42 122.2(14) .
C207 C206 H321 118.9 .
N42 C206 H321 118.9 .
C206 C207 C208 116.2(13) .
C206 C207 H319 121.9 .
C208 C207 H319 121.9 .
C203 C208 C207 118.6(12) .
C203 C208 C209 118.7(12) .
C207 C208 C209 122.8(11) .
C210 C209 C208 115.9(14) .
C210 C209 H320 122.1 .
C208 C209 H320 122.1 .
C209 C210 N42 121.1(14) .
C209 C210 H316 119.4 .
N42 C210 H316 119.4 .
B2 C211 B3 66.2(7) .
B2 C211 C212 112.2(8) .
B3 C211 C212 59.7(5) .
B2 C211 B9 61.4(7) .
B3 C211 B9 117.2(7) .
C212 C211 B9 112.9(7) .
B2 C211 Co1 121.5(6) .
B3 C211 Co1 120.9(7) .
C212 C211 Co1 65.2(5) .
B9 C211 Co1 67.0(5) .
B2 C211 H211 116.4 .
B3 C211 H211 115.1 .
C212 C211 H211 121.6 .
B9 C211 H211 117.6 .
Co1 C211 H211 110.5 .
B4 C212 B3 68.1(7) .
B4 C212 C211 113.6(8) .
B3 C212 C211 59.1(5) .
B4 C212 B7 60.8(6) .
B3 C212 B7 116.9(7) .
C211 C212 B7 111.8(8) .
B4 C212 Co1 121.3(6) .
B3 C212 Co1 120.4(7) .
C211 C212 Co1 65.3(5) .
B7 C212 Co1 66.2(4) .
B4 C212 H212 115.2 .
B3 C212 H212 114.8 .
C211 C212 H212 121.6 .
B7 C212 H212 118.8 .
Co1 C212 H212 111.1 .
C214 C213 B13 108.7(9) .
C214 C213 B14 56.7(6) .
B13 C213 B14 66.4(7) .
C214 C213 B16 108.3(9) .
B13 C213 B16 58.2(6) .
B14 C213 B16 112.2(7) .
C214 C213 Co1 64.5(6) .
B13 C213 Co1 115.2(7) .
B14 C213 Co1 115.9(8) .
B16 C213 Co1 63.9(4) .
C214 C213 H213 123.5 .
B13 C213 H213 119.0 .
B14 C213 H213 117.7 .
B16 C213 H213 121.6 .
Co1 C213 H213 114.4 .
B14 C214 C213 62.3(6) .
B14 C214 B15 66.2(8) .
C213 C214 B15 117.1(8) .
B14 C214 B18 114.1(7) .
C213 C214 B18 113.4(8) .
B15 C214 B18 60.3(6) .
B14 C214 Co1 122.5(8) .
C213 C214 Co1 66.5(6) .
B15 C214 Co1 121.1(6) .
B18 C214 Co1 65.4(5) .
B20 C215 B21 64.1(8) .
B20 C215 C216 112.5(9) .
B21 C215 C216 60.5(7) .
B20 C215 B25 61.8(8) .
B21 C215 B25 115.5(9) .
C216 C215 B25 113.9(9) .
B20 C215 Co2 123.5(8) .
B21 C215 Co2 123.3(8) .
C216 C215 Co2 67.2(7) .
B25 C215 Co2 67.6(6) .
B20 C215 H215 116.7 .
B21 C215 H215 116.0 .
C216 C215 H215 120.3 .
B25 C215 H215 117.9 .
Co2 C215 H215 107.9 .
B21 C216 B22 66.5(8) .
B21 C216 C215 58.9(7) .
B22 C216 C215 110.4(10) .
B21 C216 B27 113.0(8) .
B22 C216 B27 57.9(8) .
C215 C216 B27 109.4(10) .
B21 C216 Co2 118.7(9) .
B22 C216 Co2 119.3(8) .
C215 C216 Co2 63.7(7) .
B27 C216 Co2 67.7(6) .
B21 C216 H216 116.6 .
B22 C216 H216 117.9 .
C215 C216 H216 123.2 .
B27 C216 H216 120.6 .
Co2 C216 H216 111.4 .
B33 C217 B31 66.6(8) .
B33 C217 C218 59.4(7) .
B31 C217 C218 110.5(10) .
B33 C217 B35 115.2(9) .
B31 C217 B35 59.9(8) .
C218 C217 B35 109.1(11) .
B33 C217 Co2 119.2(8) .
B31 C217 Co2 117.2(9) .
C218 C217 Co2 64.4(7) .
B35 C217 Co2 64.1(5) .
B33 C217 H217 115.2 .
B31 C217 H217 117.9 .
C218 C217 H217 122.8 .
B35 C217 H217 120.5 .
Co2 C217 H217 113.3 .
B32 C218 B33 68.1(9) .
B32 C218 C217 116.0(10) .
B33 C218 C217 59.0(7) .
B32 C218 B34 62.8(9) .
B33 C218 B34 118.8(9) .
C217 C218 B34 115.5(11) .
B32 C218 Co2 123.4(10) .
B33 C218 Co2 120.0(8) .
C217 C218 Co2 65.6(7) .
B34 C218 Co2 66.9(6) .
B32 C218 H218 113.4 .
B33 C218 H218 115.3 .
C217 C218 H218 119.9 .
B34 C218 H218 116.3 .
Co2 C218 H218 110.8 .
B42 C219 B41 68.3(7) .
B42 C219 C220 59.5(5) .
B41 C219 C220 112.8(8) .
B42 C219 B43 116.4(7) .
B41 C219 B43 60.3(7) .
C220 C219 B43 109.9(9) .
B42 C219 Co3 120.6(7) .
B41 C219 Co3 119.6(7) .
C220 C219 Co3 65.1(6) .
B43 C219 Co3 64.8(5) .
B42 C219 H219 114.2 .
B41 C219 H219 115.9 .
C220 C219 H219 122.2 .
B43 C219 H219 120.3 .
Co3 C219 H219 112.0 .
B38 C220 B42 68.7(7) .
B38 C220 C219 112.9(8) .
B42 C220 C219 58.3(5) .
B38 C220 B45 61.4(7) .
B42 C220 B45 118.5(8) .
C219 C220 B45 112.2(8) .
B38 C220 Co3 120.5(7) .
B42 C220 Co3 119.5(6) .
C219 C220 Co3 65.0(5) .
B45 C220 Co3 65.7(4) .
B38 C220 H220 115.2 .
B42 C220 H220 114.5 .
C219 C220 H220 122.1 .
B45 C220 H220 117.8 .
Co3 C220 H220 112.1 .
B48 C221 B49 68.5(7) .
B48 C221 C222 113.2(9) .
B49 C221 C222 58.3(6) .
B48 C221 B54 61.7(6) .
B49 C221 B54 116.8(7) .
C222 C221 B54 110.2(9) .
B48 C221 Co3 120.0(7) .
B49 C221 Co3 118.8(8) .
C222 C221 Co3 64.9(6) .
B54 C221 Co3 64.1(4) .
B48 C221 H221 114.8 .
B49 C221 H221 115.1 .
C222 C221 H221 122.4 .
B54 C221 H221 119.6 .
Co3 C221 H221 112.9 .
B50 C222 B49 66.3(8) .
B50 C222 C221 112.8(8) .
B49 C222 C221 60.3(6) .
B50 C222 B52 61.0(7) .
B49 C222 B52 116.5(7) .
C221 C222 B52 112.2(8) .
B50 C222 Co3 120.1(7) .
B49 C222 Co3 122.2(7) .
C221 C222 Co3 66.6(6) .
B52 C222 Co3 65.0(4) .
B50 C222 H222 116.8 .
B49 C222 H222 114.5 .
C221 C222 H222 120.6 .
B52 C222 H222 119.2 .
Co3 C222 H222 110.8 .
B58 C223 B59 67.7(7) .
B58 C223 C224 114.4(7) .
B59 C223 C224 61.1(5) .
B58 C223 B61 60.4(7) .
B59 C223 B61 117.3(7) .
C224 C223 B61 112.2(8) .
B58 C223 Co4 120.7(7) .
B59 C223 Co4 121.8(6) .
C224 C223 Co4 64.8(5) .
B61 C223 Co4 66.1(4) .
B58 C223 H223 115.7 .
B59 C223 H223 113.6 .
C224 C223 H223 120.7 .
B61 C223 H223 119.0 .
Co4 C223 H223 111.2 .
B57 C224 B59 67.7(7) .
B57 C224 C223 110.9(7) .
B59 C224 C223 57.4(5) .
B57 C224 B63 61.1(7) .
B59 C224 B63 116.6(7) .
C223 C224 B63 110.4(8) .
B57 C224 Co4 119.8(7) .
B59 C224 Co4 118.8(6) .
C223 C224 Co4 65.3(5) .
B63 C224 Co4 65.2(4) .
B57 C224 H224 116.2 .
B59 C224 H224 115.7 .
C223 C224 H224 123.2 .
B63 C224 H224 119.0 .
Co4 C224 H224 112.1 .
B66 C225 C226 112.1(8) .
B66 C225 B67 67.5(7) .
C226 C225 B67 58.7(5) .
B66 C225 B72 61.6(6) .
C226 C225 B72 111.7(8) .
B67 C225 B72 117.7(7) .
B66 C225 Co4 120.4(7) .
C226 C225 Co4 65.8(6) .
B67 C225 Co4 120.5(7) .
B72 C225 Co4 65.2(4) .
B66 C225 H225 116.0 .
C226 C225 H225 122.1 .
B67 C225 H225 114.6 .
B72 C225 H225 118.4 .
Co4 C225 H225 111.5 .
B68 C226 B67 67.1(8) .
B68 C226 C225 114.2(7) .
B67 C226 C225 61.2(5) .
B68 C226 B70 61.1(7) .
B67 C226 B70 116.9(7) .
C225 C226 B70 111.6(7) .
B68 C226 Co4 121.4(6) .
B67 C226 Co4 122.1(6) .
C225 C226 Co4 65.0(5) .
B70 C226 Co4 65.9(5) .
B68 C226 H226 115.5 .
B67 C226 H226 113.9 .
C225 C226 H226 120.9 .
B70 C226 H226 119.3 .
Co4 C226 H226 110.8 .
B77 C227 B78 67.0(8) .
B77 C227 C228 59.3(6) .
B78 C227 C228 111.8(8) .
B77 C227 B79 116.5(7) .
B78 C227 B79 60.7(7) .
C228 C227 B79 111.2(8) .
B77 C227 Co5 120.7(7) .
B78 C227 Co5 119.7(6) .
C228 C227 Co5 65.6(6) .
B79 C227 Co5 65.3(5) .
B77 C227 H227 114.8 .
B78 C227 H227 116.7 .
C228 C227 H227 121.9 .
B79 C227 H227 119.3 .
Co5 C227 H227 111.5 .
B77 C228 B76 68.3(7) .
B77 C228 C227 59.7(6) .
B76 C228 C227 114.1(8) .
B77 C228 B81 117.1(7) .
B76 C228 B81 60.1(7) .
C227 C228 B81 112.5(8) .
B77 C228 Co5 120.5(8) .
B76 C228 Co5 120.5(6) .
C227 C228 Co5 65.0(6) .
B81 C228 Co5 66.4(5) .
B77 C228 H228 114.4 .
B76 C228 H228 115.6 .
C227 C228 H228 121.0 .
B81 C228 H228 118.7 .
Co5 C228 H228 111.4 .
B84 C229 B83 67.2(8) .
B84 C229 C230 113.0(8) .
B83 C229 C230 60.3(6) .
B84 C229 B90 60.6(7) .
B83 C229 B90 116.0(7) .
C230 C229 B90 110.2(8) .
B84 C229 Co5 120.0(7) .
B83 C229 Co5 120.1(6) .
C230 C229 Co5 64.1(5) .
B90 C229 Co5 65.4(4) .
B84 C229 H229 115.9 .
B83 C229 H229 114.7 .
C230 C229 H229 122.0 .
B90 C229 H229 119.8 .
Co5 C229 H229 112.2 .
B86 C230 B83 67.2(8) .
B86 C230 C229 113.2(9) .
B83 C230 C229 59.2(6) .
B86 C230 B88 61.2(8) .
B83 C230 B88 117.3(10) .
C229 C230 B88 113.4(9) .
B86 C230 Co5 121.0(9) .
B83 C230 Co5 121.5(9) .
C229 C230 Co5 66.7(6) .
B88 C230 Co5 66.0(6) .
B86 C230 H230 116.0 .
B83 C230 H230 114.8 .
C229 C230 H230 120.7 .
B88 C230 H230 118.1 .
Co5 C230 H230 110.5 .
B95 C231 B94 66.5(9) .
B95 C231 C232 113.4(10) .
B94 C231 C232 60.9(8) .
B95 C231 B99 60.8(8) .
B94 C231 B99 116.8(10) .
C232 C231 B99 112.6(9) .
B95 C231 Co6 120.5(8) .
B94 C231 Co6 121.7(9) .
C232 C231 Co6 65.3(6) .
B99 C231 Co6 66.0(6) .
B95 C231 H231 116.4 .
B94 C231 H231 114.3 .
C232 C231 H231 120.6 .
B99 C231 H231 118.7 .
Co6 C231 H231 111.0 .
B93 C232 C231 113.3(11) .
B93 C232 B94 67.7(8) .
C231 C232 B94 58.8(8) .
B93 C232 B97 61.6(8) .
C231 C232 B97 111.1(10) .
B94 C232 B97 116.5(10) .
B93 C232 Co6 120.8(9) .
C231 C232 Co6 65.9(6) .
B94 C232 Co6 120.4(10) .
B97 C232 Co6 64.7(6) .
B93 C232 H232 115.1 .
C231 C232 H232 121.7 .
B94 C232 H232 115.1 .
B97 C232 H232 119.4 .
Co6 C232 H232 111.5 .
B101 C233 B105 67.8(9) .
B101 C233 C234 113.8(9) .
B105 C233 C234 59.4(8) .
B101 C233 B108 62.1(8) .
B105 C233 B108 118.0(11) .
C234 C233 B108 112.4(10) .
B101 C233 Co6 122.5(10) .
B105 C233 Co6 120.9(9) .
C234 C233 Co6 65.3(6) .
B108 C233 Co6 66.3(6) .
B101 C233 H233 114.6 .
B105 C233 H233 114.5 .
C234 C233 H233 121.7 .
B108 C233 H233 117.9 .
Co6 C233 H233 110.7 .
B104 C234 B105 67.1(8) .
B104 C234 C233 111.6(10) .
B105 C234 C233 59.5(8) .
B104 C234 B106 59.8(8) .
B105 C234 B106 115.9(10) .
C233 C234 B106 110.6(11) .
B104 C234 Co6 120.1(10) .
B105 C234 Co6 120.5(9) .
C233 C234 Co6 64.7(6) .
B106 C234 Co6 66.5(6) .
B104 C234 H234 116.9 .
B105 C234 H234 114.8 .
C233 C234 H234 122.5 .
B106 C234 H234 119.5 .
Co6 C234 H234 111.1 .
B114 C235 C236 109.7(12) .
B114 C235 B110 67.4(10) .
C236 C235 B110 57.6(8) .
B114 C235 B115 59.5(9) .
C236 C235 B115 110.6(10) .
B110 C235 B115 116.1(11) .
B114 C235 Co7 117.4(10) .
C236 C235 Co7 66.6(6) .
B110 C235 Co7 120.0(10) .
B115 C235 Co7 64.4(7) .
B114 C235 H235 118.3 .
C236 C235 H235 122.6 .
B110 C235 H235 115.1 .
B115 C235 H235 119.8 .
Co7 C235 H235 112.1 .
B110 C236 C235 61.8(9) .
B110 C236 B111 67.5(9) .
C235 C236 B111 115.7(10) .
B110 C236 B117 117.4(10) .
C235 C236 B117 113.0(10) .
B111 C236 B117 61.0(8) .
B110 C236 Co7 121.5(10) .
C235 C236 Co7 64.1(6) .
B111 C236 Co7 121.9(8) .
B117 C236 Co7 66.8(6) .
B110 C236 H236 113.8 .
C235 C236 H236 120.1 .
B111 C236 H236 114.8 .
B117 C236 H236 118.3 .
Co7 C236 H236 111.2 .
B122 C237 B121 65.0(10) .
B122 C237 C238 60.6(9) .
B121 C237 C238 112.2(11) .
B122 C237 B126 115.1(11) .
B121 C237 B126 60.5(9) .
C238 C237 B126 112.2(11) .
B122 C237 Co7 120.7(10) .
B121 C237 Co7 121.6(10) .
C238 C237 Co7 64.5(6) .
B126 C237 Co7 67.8(7) .
B122 C237 H237 116.0 .
B121 C237 H237 116.9 .
C238 C237 H237 121.5 .
B126 C237 H237 118.5 .
Co7 C237 H237 110.2 .
B123 C238 B122 66.9(10) .
B123 C238 C237 111.6(13) .
B122 C238 C237 58.4(9) .
B123 C238 B124 61.4(10) .
B122 C238 B124 116.6(12) .
C237 C238 B124 111.5(13) .
B123 C238 Co7 120.2(11) .
B122 C238 Co7 120.5(11) .
C237 C238 Co7 66.4(7) .
B124 C238 Co7 65.0(7) .
B123 C238 H238 116.4 .
B122 C238 H238 115.4 .
C237 C238 H238 121.9 .
B124 C238 H238 119.0 .
Co7 C238 H238 111.2 .
B129 C239 B130 67.2(9) .
B129 C239 C240 60.6(8) .
B130 C239 C240 113.8(10) .
B129 C239 B135 116.7(11) .
B130 C239 B135 60.9(9) .
C240 C239 B135 111.8(10) .
B129 C239 Co8 120.7(9) .
B130 C239 Co8 121.3(9) .
C240 C239 Co8 64.3(5) .
B135 C239 Co8 66.6(7) .
B129 C239 H239 114.5 .
B130 C239 H239 115.5 .
C240 C239 H239 121.4 .
B135 C239 H239 118.7 .
Co8 C239 H239 111.2 .
B128 C240 B129 67.7(9) .
B128 C240 C239 111.9(11) .
B129 C240 C239 57.8(8) .
B128 C240 B133 60.5(8) .
B129 C240 B133 116.1(10) .
C239 C240 B133 111.4(10) .
B128 C240 Co8 120.5(9) .
B129 C240 Co8 119.8(10) .
C239 C240 Co8 66.0(6) .
B133 C240 Co8 66.0(6) .
B128 C240 H240 116.1 .
B129 C240 H240 115.7 .
C239 C240 H240 122.3 .
B133 C240 H240 119.1 .
Co8 C240 H240 111.0 .
B139 C241 C242 112.8(12) .
B139 C241 B138 67.1(10) .
C242 C241 B138 59.2(9) .
B139 C241 B144 60.6(9) .
C242 C241 B144 111.6(11) .
B138 C241 B144 116.0(11) .
B139 C241 Co8 119.9(10) .
C242 C241 Co8 66.1(7) .
B138 C241 Co8 120.8(11) .
B144 C241 Co8 65.1(7) .
B139 C241 H241 116.3 .
C242 C241 H241 121.2 .
B138 C241 H241 115.1 .
B144 C241 H241 119.5 .
Co8 C241 H241 111.3 .
B137 C242 B138 66.5(10) .
B137 C242 C241 113.8(11) .
B138 C242 C241 60.5(9) .
B137 C242 B142 62.0(9) .
B138 C242 B142 117.4(11) .
C241 C242 B142 112.9(10) .
B137 C242 Co8 121.3(9) .
B138 C242 Co8 120.6(11) .
C241 C242 Co8 64.6(7) .
B142 C242 Co8 66.1(7) .
B149 C243 B148 68.6(8) .
B149 C243 C244 60.7(7) .
B148 C243 C244 114.8(8) .
B149 C243 B151 117.7(10) .
B148 C243 B151 59.9(8) .
C244 C243 B151 112.7(9) .
B149 C243 Co9 122.3(8) .
B148 C243 Co9 120.7(9) .
C244 C243 Co9 65.6(5) .
B151 C243 Co9 66.3(6) .
B149 C243 H243 113.2 .
B148 C243 H243 115.5 .
C244 C243 H243 120.3 .
B151 C243 H243 119.1 .
Co9 C243 H243 110.8 .
B147 C244 B149 67.7(8) .
B147 C244 C243 111.2(9) .
B149 C244 C243 58.2(7) .
B147 C244 B153 61.3(8) .
B149 C244 B153 117.5(10) .
C243 C244 B153 110.8(9) .
B147 C244 Co9 119.9(9) .
B149 C244 Co9 119.3(8) .
C243 C244 Co9 64.8(5) .
B153 C244 Co9 65.3(6) .
B147 C244 H244 116.2 .
B149 C244 H244 115.0 .
C243 C244 H244 123.1 .
B153 C244 H244 118.5 .
Co9 C244 H244 112.2 .
B159 C245 C246 111.4(10) .
B159 C245 B157 66.9(8) .
C246 C245 B157 57.6(7) .
B159 C245 B162 62.3(8) .
C246 C245 B162 111.7(10) .
B157 C245 B162 117.1(10) .
B159 C245 Co9 121.0(9) .
C246 C245 Co9 66.4(6) .
B157 C245 Co9 119.9(9) .
B162 C245 Co9 65.1(6) .
B159 C245 H245 115.9 .
C246 C245 H245 122.4 .
B157 C245 H245 115.7 .
B162 C245 H245 118.2 .
Co9 C245 H245 111.1 .
B157 C246 B155 67.5(9) .
B157 C246 C245 61.4(8) .
B155 C246 C245 114.2(9) .
B157 C246 B160 116.6(10) .
B155 C246 B160 59.9(8) .
C245 C246 B160 111.6(9) .
B157 C246 Co9 121.7(8) .
B155 C246 Co9 120.2(8) .
C245 C246 Co9 64.6(5) .
B160 C246 Co9 66.1(6) .
B157 C246 H246 113.7 .
B155 C246 H246 116.1 .
C245 C246 H246 120.7 .
B160 C246 H246 119.6 .
Co9 C246 H246 111.4 .
B168 C247 B167 68.2(8) .
B168 C247 C248 114.1(10) .
B167 C247 C248 60.2(7) .
B168 C247 B169 61.9(8) .
B167 C247 B169 118.3(10) .
C248 C247 B169 111.4(10) .
B168 C247 Co10 121.6(10) .
B167 C247 Co10 121.6(8) .
C248 C247 Co10 65.1(6) .
B169 C247 Co10 65.3(6) .
B168 C247 H247 114.7 .
B167 C247 H247 113.5 .
C248 C247 H247 121.6 .
B169 C247 H247 118.7 .
Co10 C247 H247 111.2 .
B165 C248 B167 67.5(8) .
B165 C248 C247 113.0(9) .
B167 C248 C247 59.2(7) .
B165 C248 B171 61.9(9) .
B167 C248 B171 118.4(10) .
C247 C248 B171 113.0(10) .
B165 C248 Co10 122.1(10) .
B167 C248 Co10 121.0(8) .
C247 C248 Co10 65.5(6) .
B171 C248 Co10 66.7(6) .
B165 C248 H248 115.3 .
B167 C248 H248 114.5 .
C247 C248 H248 121.7 .
B171 C248 H248 117.3 .
Co10 C248 H248 110.5 .
B177 C249 C250 114.1(10) .
B177 C249 B175 68.9(8) .
C250 C249 B175 57.7(8) .
B177 C249 B180 60.9(7) .
C250 C249 B180 112.5(10) .
B175 C249 B180 116.9(10) .
B177 C249 Co10 121.1(9) .
C250 C249 Co10 66.1(6) .
B175 C249 Co10 119.5(10) .
B180 C249 Co10 65.7(6) .
B177 C249 H249 114.6 .
C250 C249 H249 121.3 .
B175 C249 H249 115.4 .
B180 C249 H249 118.7 .
Co10 C249 H249 111.4 .
B175 C250 B173 66.4(9) .
B175 C250 C249 61.1(8) .
B173 C250 C249 112.8(9) .
B175 C250 B178 116.0(10) .
B173 C250 B178 60.5(8) .
C249 C250 B178 110.8(9) .
B175 C250 Co10 122.1(9) .
B173 C250 Co10 119.3(8) .
C249 C250 Co10 65.6(6) .
B178 C250 Co10 64.6(6) .
B175 C250 H250 114.1 .
B173 C250 H250 116.9 .
C249 C250 H250 121.0 .
B178 C250 H250 120.2 .
Co10 C250 H250 111.5 .
B182 C251 C252 60.8(9) .
B182 C251 B186 68.3(8) .
C252 C251 B186 114.7(10) .
B182 C251 B189 115.0(10) .
C252 C251 B189 111.7(10) .
B186 C251 B189 58.1(7) .
B182 C251 Co11 120.7(10) .
C252 C251 Co11 64.3(6) .
B186 C251 Co11 120.0(8) .
B189 C251 Co11 67.2(6) .
B182 C251 H251 114.5 .
C252 C251 H251 120.6 .
B186 C251 H251 116.1 .
B189 C251 H251 120.2 .
Co11 C251 H251 111.3 .
B183 C252 C251 113.4(11) .
B183 C252 B182 68.0(9) .
C251 C252 B182 58.7(8) .
B183 C252 B187 59.7(8) .
C251 C252 B187 111.7(10) .
B182 C252 B187 115.3(10) .
B183 C252 Co11 120.6(9) .
C251 C252 Co11 66.3(6) .
B182 C252 Co11 120.6(9) .
B187 C252 Co11 66.1(6) .
B183 C252 H252 115.8 .
C251 C252 H252 121.1 .
B182 C252 H252 115.4 .
B187 C252 H252 119.9 .
Co11 C252 H252 110.7 .
B194 C253 B195 67.7(9) .
B194 C253 C254 113.1(10) .
B195 C253 C254 59.7(8) .
B194 C253 B198 61.0(8) .
B195 C253 B198 117.3(9) .
C254 C253 B198 111.6(9) .
B194 C253 Co11 119.8(8) .
B195 C253 Co11 121.0(8) .
C254 C253 Co11 65.7(5) .
B198 C253 Co11 64.8(6) .
B194 C253 H253 116.0 .
B195 C253 H253 114.1 .
C254 C253 H253 121.3 .
B198 C253 H253 119.2 .
Co11 C253 H253 111.8 .
B191 C254 B195 67.3(8) .
B191 C254 C253 113.4(10) .
B195 C254 C253 59.4(8) .
B191 C254 B196 61.9(8) .
B195 C254 B196 117.3(9) .
C253 C254 B196 111.9(10) .
B191 C254 Co11 121.1(9) .
B195 C254 Co11 120.7(10) .
C253 C254 Co11 65.6(6) .
B196 C254 Co11 65.2(6) .
B191 C254 H254 115.2 .
B195 C254 H254 114.8 .
C253 C254 H254 121.4 .
B196 C254 H254 118.6 .
Co11 C254 H254 111.4 .
B200 C255 C256 112.5(9) .
B200 C255 B201 66.1(8) .
C256 C255 B201 59.5(7) .
B200 C255 B207 62.0(8) .
C256 C255 B207 112.9(9) .
B201 C255 B207 117.1(9) .
B200 C255 Co12 121.6(8) .
C256 C255 Co12 65.9(5) .
B201 C255 Co12 121.0(8) .
B207 C255 Co12 66.1(6) .
B200 C255 H255 116.0 .
C256 C255 H255 121.3 .
B201 C255 H255 115.4 .
B207 C255 H255 117.8 .
Co12 C255 H255 110.6 .
B201 C256 C255 60.9(7) .
B201 C256 B202 66.7(7) .
C255 C256 B202 114.1(9) .
B201 C256 B205 116.0(9) .
C255 C256 B205 111.9(9) .
B202 C256 B205 60.7(7) .
B201 C256 Co12 121.2(9) .
C255 C256 Co12 64.7(5) .
B202 C256 Co12 121.4(8) .
B205 C256 Co12 66.5(6) .
B201 C256 H256 114.8 .
C255 C256 H256 120.9 .
B202 C256 H256 115.6 .
B205 C256 H256 119.2 .
Co12 C256 H256 110.8 .
B213 C257 B209 66.4(8) .
B213 C257 C258 112.0(10) .
B209 C257 C258 58.8(7) .
B213 C257 B216 61.9(8) .
B209 C257 B216 116.8(10) .
C258 C257 B216 112.1(10) .
B213 C257 Co12 121.2(10) .
B209 C257 Co12 120.5(9) .
C258 C257 Co12 66.0(6) .
B216 C257 Co12 65.7(6) .
B213 C257 H257 116.1 .
B209 C257 H257 115.5 .
C258 C257 H257 121.8 .
B216 C257 H257 118.3 .
Co12 C257 H257 110.8 .
B210 C258 B209 67.1(9) .
B210 C258 C257 112.8(9) .
B209 C258 C257 59.2(7) .
B210 C258 B214 61.9(9) .
B209 C258 B214 117.4(10) .
C257 C258 B214 111.9(9) .
B210 C258 Co12 121.2(9) .
B209 C258 Co12 119.0(8) .
C257 C258 Co12 64.0(5) .
B214 C258 Co12 66.3(6) .
B210 C258 H258 115.3 .
B209 C258 H258 115.4 .
C257 C258 H258 122.3 .
B214 C258 H258 117.8 .
Co12 C258 H258 112.0 .
C260 C259 H395 109.5 .
C260 C259 H25B 109.5 .
H395 C259 H25B 109.5 .
C260 C259 H25C 109.5 .
H395 C259 H25C 109.5 .
H25B C259 H25C 109.5 .
C259 C260 O20 105(2) .
C259 C260 H26O 110.8 .
O20 C260 H26O 110.8 .
C259 C260 H26P 110.8 .
O20 C260 H26P 110.8 .
H26O C260 H26P 108.8 .
C262 C261 H26D 109.5 .
C262 C261 H26E 109.4 .
H26D C261 H26E 109.5 .
C262 C261 H26F 109.5 .
H26D C261 H26F 109.5 .
H26E C261 H26F 109.5 .
C261 C262 O21 115.1(16) .
C261 C262 H26Q 108.5 .
O21 C262 H26Q 108.5 .
C261 C262 H26R 108.5 .
O21 C262 H26R 108.5 .
H26Q C262 H26R 107.5 .
C264 C263 H349 109.5 .
C264 C263 H350 109.5 .
H349 C263 H350 109.5 .
C264 C263 H26I 109.5 .
H349 C263 H26I 109.5 .
H350 C263 H26I 109.5 .
C263 C264 O22 109.9(13) .
C263 C264 H26G 109.7 .
O22 C264 H26G 109.7 .
C263 C264 H26H 109.7 .
O22 C264 H26H 109.7 .
H26G C264 H26H 108.2 .
C266 C265 H375 109.5 .
C266 C265 H376 109.5 .
H375 C265 H376 109.5 .
C266 C265 H26C 109.5 .
H375 C265 H26C 109.5 .
H376 C265 H26C 109.5 .
O23 C266 C265 111.3(10) .
O23 C266 H394 109.4 .
C265 C266 H394 109.4 .
O23 C266 H26B 109.4 .
C265 C266 H26B 109.4 .
H394 C266 H26B 108.0 .
C268 C267 H26J 109.5 .
C268 C267 H26K 109.5 .
H26J C267 H26K 109.5 .
C268 C267 H26L 109.5 .
H26J C267 H26L 109.5 .
H26K C267 H26L 109.5 .
C267 C268 O24 105.9(11) .
C267 C268 H26M 110.6 .
O24 C268 H26M 110.6 .
C267 C268 H26N 110.6 .
O24 C268 H26N 110.6 .
H26M C268 H26N 108.7 .
C270 C269 H356 109.5 .
C270 C269 H365 109.5 .
H356 C269 H365 109.5 .
C270 C269 H366 109.4 .
H356 C269 H366 109.5 .
H365 C269 H366 109.5 .
O25 C270 C269 110(2) .
O25 C270 H27D 109.7 .
C269 C270 H27D 109.7 .
O25 C270 H27E 109.8 .
C269 C270 H27E 109.8 .
H27D C270 H27E 108.2 .
C272 C271 H378 109.5 .
C272 C271 H143 109.5 .
H378 C271 H143 109.5 .
C272 C271 H27C 109.5 .
H378 C271 H27C 109.5 .
H143 C271 H27C 109.5 .
O26 C272 C271 109.7(10) .
O26 C272 H27A 109.7 .
C271 C272 H27A 109.7 .
O26 C272 H27B 109.7 .
C271 C272 H27B 109.7 .
H27A C272 H27B 108.2 .
C274 C273 H367 109.5 .
C274 C273 H368 109.5 .
H367 C273 H368 109.5 .
C274 C273 H268 109.5 .
H367 C273 H268 109.5 .
H368 C273 H268 109.5 .
C273 C274 O274 126.1(18) .
C273 C274 H396 105.8 .
O274 C274 H396 105.8 .
C273 C274 H27G 105.8 .
O274 C274 H27G 105.8 .
H396 C274 H27G 106.2 .
B6 B1 B4 113.8(11) .
B6 B1 B5 62.7(9) .
B4 B1 B5 62.8(8) .
B6 B1 B2 62.6(8) .
B4 B1 B2 110.3(11) .
B5 B1 B2 112.8(10) .
B6 B1 B3 111.8(10) .
B4 B1 B3 61.2(9) .
B5 B1 B3 112.5(10) .
B2 B1 B3 59.4(8) .
B6 B1 H1 118.0 .
B4 B1 H1 119.2 .
B5 B1 H1 118.0 .
B2 B1 H1 120.4 .
B3 B1 H1 120.5 .
C211 B2 B9 63.5(7) .
C211 B2 B3 57.0(7) .
B9 B2 B3 111.3(11) .
C211 B2 B1 102.0(11) .
B9 B2 B1 105.1(10) .
B3 B2 B1 60.8(9) .
C211 B2 B6 106.0(9) .
B9 B2 B6 58.3(8) .
B3 B2 B6 109.3(11) .
B1 B2 B6 58.2(8) .
C211 B2 H2 124.2 .
B9 B2 H2 120.2 .
B3 B2 H2 120.0 .
B1 B2 H2 125.3 .
B6 B2 H2 122.7 .
C211 B3 C212 61.2(6) .
C211 B3 B2 56.9(7) .
C212 B3 B2 106.0(9) .
C211 B3 B1 101.1(9) .
C212 B3 B1 99.8(8) .
B2 B3 B1 59.8(9) .
C211 B3 B4 105.1(9) .
C212 B3 B4 55.3(6) .
B2 B3 B4 108.6(10) .
B1 B3 B4 58.8(8) .
C211 B3 H3 124.3 .
C212 B3 H3 125.1 .
B2 B3 H3 121.4 .
B1 B3 H3 126.4 .
B4 B3 H3 122.6 .
C212 B4 B7 64.1(7) .
C212 B4 B1 101.7(11) .
B7 B4 B1 103.9(12) .
C212 B4 B3 56.6(7) .
B7 B4 B3 110.3(11) .
B1 B4 B3 60.0(8) .
C212 B4 B5 105.3(10) .
B7 B4 B5 56.4(8) .
B1 B4 B5 58.7(8) .
B3 B4 B5 108.2(12) .
C212 B4 H4 124.1 .
B7 B4 H4 121.1 .
B1 B4 H4 125.4 .
B3 B4 H4 120.8 .
B5 B4 H4 123.4 .
B8 B5 B7 65.9(9) .
B8 B5 B1 106.1(11) .
B7 B5 B1 104.9(10) .
B8 B5 B6 59.2(9) .
B7 B5 B6 110.4(11) .
B1 B5 B6 58.1(8) .
B8 B5 B4 110.5(10) .
B7 B5 B4 57.7(8) .
B1 B5 B4 58.5(8) .
B6 B5 B4 106.6(10) .
B8 B5 H5 119.3 .
B7 B5 H5 120.4 .
B1 B5 H5 125.0 .
B6 B5 H5 122.2 .
B4 B5 H5 122.5 .
B9 B6 B8 66.2(8) .
B9 B6 B1 105.7(11) .
B8 B6 B1 104.3(12) .
B9 B6 B2 58.0(8) .
B8 B6 B2 109.9(11) .
B1 B6 B2 59.2(8) .
B9 B6 B5 109.2(11) .
B8 B6 B5 55.9(8) .
B1 B6 B5 59.2(8) .
B2 B6 B5 107.3(11) .
B9 B6 H6 120.1 .
B8 B6 H6 121.2 .
B1 B6 H6 124.5 .
B2 B6 H6 121.9 .
B5 B6 H6 123.0 .
B5 B7 B4 65.9(8) .
B5 B7 C212 105.7(9) .
B4 B7 C212 55.1(6) .
B5 B7 B8 56.9(8) .
B4 B7 B8 109.9(11) .
C212 B7 B8 105.5(9) .
B5 B7 Co1 114.0(10) .
B4 B7 Co1 112.2(9) .
C212 B7 Co1 61.9(4) .
B8 B7 Co1 65.1(7) .
B5 B7 H7 120.0 .
B4 B7 H7 119.6 .
C212 B7 H7 126.2 .
B8 B7 H7 122.2 .
Co1 B7 H7 115.7 .
B5 B8 B6 64.8(9) .
B5 B8 B7 57.1(8) .
B6 B8 B7 108.0(10) .
B5 B8 B9 108.7(10) .
B6 B8 B9 56.8(8) .
B7 B8 B9 106.7(10) .
B5 B8 Co1 112.0(10) .
B6 B8 Co1 111.1(9) .
B7 B8 Co1 62.5(6) .
B9 B8 Co1 62.2(6) .
B5 B8 H8 119.7 .
B6 B8 H8 120.5 .
B7 B8 H8 123.3 .
B9 B8 H8 123.2 .
Co1 B8 H8 117.7 .
B2 B9 B6 63.7(8) .
B2 B9 C211 55.1(7) .
B6 B9 C211 103.8(10) .
B2 B9 B8 107.2(11) .
B6 B9 B8 57.0(8) .
C211 B9 B8 103.1(10) .
B2 B9 Co1 110.9(10) .
B6 B9 Co1 112.3(10) .
C211 B9 Co1 61.3(5) .
B8 B9 Co1 63.4(7) .
B2 B9 H393 121.1 .
B6 B9 H393 121.2 .
C211 B9 H393 126.9 .
B8 B9 H393 123.8 .
Co1 B9 H393 116.8 .
B15 B10 B14 61.7(9) .
B15 B10 B11 63.4(8) .
B14 B10 B11 113.3(10) .
B15 B10 B12 114.4(10) .
B14 B10 B12 112.7(10) .
B11 B10 B12 62.2(8) .
B15 B10 B13 113.6(10) .
B14 B10 B13 62.3(8) .
B11 B10 B13 112.9(10) .
B12 B10 B13 61.4(8) .
B15 B10 H10 117.7 .
B14 B10 H10 119.0 .
B11 B10 H10 118.2 .
B12 B10 H10 118.7 .
B13 B10 H10 118.9 .
B18 B11 B17 64.7(8) .
B18 B11 B10 101.3(10) .
B17 B11 B10 103.1(12) .
B18 B11 B12 106.0(11) .
B17 B11 B12 55.6(8) .
B10 B11 B12 59.3(8) .
B18 B11 B15 57.9(7) .
B17 B11 B15 110.6(10) .
B10 B11 B15 57.7(8) .
B12 B11 B15 107.4(11) .
B18 B11 H9 123.0 .
B17 B11 H9 121.2 .
B10 B11 H9 126.5 .
B12 B11 H9 123.4 .
B15 B11 H9 121.3 .
B17 B12 B16 65.5(9) .
B17 B12 B10 105.3(11) .
B16 B12 B10 106.1(10) .
B17 B12 B11 59.2(9) .
B16 B12 B11 111.9(10) .
B10 B12 B11 58.5(8) .
B17 B12 B13 109.7(10) .
B16 B12 B13 57.6(8) .
B10 B12 B13 60.1(8) .
B11 B12 B13 108.7(10) .
B17 B12 H397 120.5 .
B16 B12 H397 119.8 .
B10 B12 H397 124.5 .
B11 B12 H397 120.9 .
B13 B12 H397 121.8 .
C213 B13 B16 66.0(7) .
C213 B13 B10 101.9(10) .
B16 B13 B10 105.3(11) .
C213 B13 B12 108.0(9) .
B16 B13 B12 58.2(8) .
B10 B13 B12 58.5(8) .
C213 B13 B14 57.3(6) .
B16 B13 B14 111.1(11) .
B10 B13 B14 57.2(8) .
B12 B13 B14 106.1(11) .
C213 B13 H13 122.2 .
B16 B13 H13 119.1 .
B10 B13 H13 126.3 .
B12 B13 H13 122.9 .
B14 B13 H13 122.5 .
C214 B14 C213 61.0(6) .
C214 B14 B10 101.3(9) .
C213 B14 B10 103.8(9) .
C214 B14 B15 59.0(7) .
C213 B14 B15 110.2(9) .
B10 B14 B15 59.0(8) .
C214 B14 B13 104.1(9) .
C213 B14 B13 56.3(6) .
B10 B14 B13 60.5(8) .
B15 B14 B13 109.9(10) .
C214 B14 H88 125.0 .
C213 B14 H88 122.4 .
B10 B14 H88 125.3 .
B15 B14 H88 119.6 .
B13 B14 H88 122.5 .
C214 B15 B18 61.1(7) .
C214 B15 B10 98.5(10) .
B18 B15 B10 100.6(10) .
C214 B15 B14 54.8(7) .
B18 B15 B14 105.7(11) .
B10 B15 B14 59.3(8) .
C214 B15 B11 103.4(9) .
B18 B15 B11 55.7(7) .
B10 B15 B11 58.9(8) .
B14 B15 B11 107.8(11) .
C214 B15 H242 126.4 .
B18 B15 H242 124.2 .
B10 B15 H242 126.8 .
B14 B15 H242 122.2 .
B11 B15 H242 123.0 .
B13 B16 B12 64.3(8) .
B13 B16 B17 107.2(11) .
B12 B16 B17 55.6(8) .
B13 B16 C213 55.9(6) .
B12 B16 C213 105.1(9) .
B17 B16 C213 104.6(9) .
B13 B16 Co1 111.8(9) .
B12 B16 Co1 110.8(10) .
B17 B16 Co1 63.0(6) .
C213 B16 Co1 62.4(4) .
B13 B16 H16 120.4 .
B12 B16 H16 121.8 .
B17 B16 H16 124.1 .
C213 B16 H16 125.2 .
Co1 B16 H16 117.0 .
B12 B17 B11 65.2(9) .
B12 B17 B18 106.4(10) .
B11 B17 B18 55.7(7) .
B12 B17 B16 58.9(8) .
B11 B17 B16 111.4(10) .
B18 B17 B16 106.9(10) .
B12 B17 Co1 114.3(9) .
B11 B17 Co1 113.1(8) .
B18 B17 Co1 62.8(6) .
B16 B17 Co1 63.8(6) .
B12 B17 H17 119.6 .
B11 B17 H17 119.2 .
B18 B17 H17 125.2 .
B16 B17 H17 121.2 .
Co1 B17 H17 115.8 .
B11 B18 B15 66.4(8) .
B11 B18 C214 109.6(10) .
B15 B18 C214 58.6(7) .
B11 B18 B17 59.6(8) .
B15 B18 B17 113.2(10) .
C214 B18 B17 106.8(10) .
B11 B18 Co1 117.8(10) .
B15 B18 Co1 118.4(10) .
C214 B18 Co1 64.0(5) .
B17 B18 Co1 64.1(6) .
B11 B18 H18 117.6 .
B15 B18 H18 116.2 .
C214 B18 H18 124.0 .
B17 B18 H18 121.9 .
Co1 B18 H18 113.1 .
B22 B19 B23 64.9(11) .
B22 B19 B21 63.6(11) .
B23 B19 B21 115.3(13) .
B22 B19 B20 111.7(14) .
B23 B19 B20 112.1(13) .
B21 B19 B20 58.6(10) .
B22 B19 B24 114.5(13) .
B23 B19 B24 61.8(10) .
B21 B19 B24 110.3(13) .
B20 B19 B24 61.1(10) .
B22 B19 H19 116.7 .
B23 B19 H19 117.0 .
B21 B19 H19 119.6 .
B20 B19 H19 121.4 .
B24 B19 H19 119.7 .
C215 B20 B25 61.3(8) .
C215 B20 B21 58.3(8) .
B25 B20 B21 110.3(13) .
C215 B20 B19 101.7(12) .
B25 B20 B19 103.8(12) .
B21 B20 B19 60.5(10) .
C215 B20 B24 104.8(10) .
B25 B20 B24 56.4(9) .
B21 B20 B24 111.4(13) .
B19 B20 B24 60.6(10) .
C215 B20 H20 125.1 .
B25 B20 H20 122.5 .
B21 B20 H20 119.0 .
B19 B20 H20 124.9 .
B24 B20 H20 121.9 .
C215 B21 C216 60.6(7) .
C215 B21 B20 57.7(8) .
C216 B21 B20 107.4(11) .
C215 B21 B19 101.6(12) .
C216 B21 B19 100.4(10) .
B20 B21 B19 60.9(11) .
C215 B21 B22 104.3(10) .
C216 B21 B22 56.8(8) .
B20 B21 B22 107.7(12) .
B19 B21 B22 56.3(10) .
C215 B21 H271 124.5 .
C216 B21 H271 124.0 .
B20 B21 H271 120.6 .
B19 B21 H271 126.5 .
B22 B21 H271 123.8 .
C216 B22 B19 103.3(13) .
C216 B22 B27 65.6(9) .
B19 B22 B27 105.4(15) .
C216 B22 B21 56.7(8) .
B19 B22 B21 60.1(10) .
B27 B22 B21 111.4(14) .
C216 B22 B23 106.5(12) .
B19 B22 B23 58.2(10) .
B27 B22 B23 57.0(10) .
B21 B22 B23 107.4(14) .
C216 B22 H352 122.7 .
B19 B22 H352 124.8 .
B27 B22 H352 119.7 .
B21 B22 H352 121.1 .
B23 B22 H352 123.7 .
B27 B23 B26 66.4(11) .
B27 B23 B19 104.5(13) .
B26 B23 B19 108.2(13) .
B27 B23 B24 111.7(13) .
B26 B23 B24 59.1(10) .
B19 B23 B24 61.7(10) .
B27 B23 B22 57.2(10) .
B26 B23 B22 110.4(13) .
B19 B23 B22 56.9(10) .
B24 B23 B22 108.0(12) .
B27 B23 H23 120.5 .
B26 B23 H23 118.8 .
B19 B23 H23 124.1 .
B24 B23 H23 120.2 .
B22 B23 H23 123.3 .
B25 B24 B26 65.3(10) .
B25 B24 B19 103.5(13) .
B26 B24 B19 102.8(13) .
B25 B24 B23 108.2(13) .
B26 B24 B23 57.5(10) .
B19 B24 B23 56.6(9) .
B25 B24 B20 58.4(9) .
B26 B24 B20 110.0(13) .
B19 B24 B20 58.3(10) .
B23 B24 B20 105.5(13) .
B25 B24 H355 121.0 .
B26 B24 H355 120.8 .
B19 B24 H355 126.7 .
B23 B24 H355 123.8 .
B20 B24 H355 122.1 .
B24 B25 C215 108.3(12) .
B24 B25 B20 65.2(10) .
C215 B25 B20 56.9(8) .
B24 B25 B26 59.1(9) .
C215 B25 B26 106.2(12) .
B20 B25 B26 110.5(13) .
B24 B25 Co2 117.1(12) .
C215 B25 Co2 62.5(6) .
B20 B25 Co2 114.4(13) .
B26 B25 Co2 65.0(8) .
B24 B25 H357 118.1 .
C215 B25 H357 125.0 .
B20 B25 H357 119.1 .
B26 B25 H357 122.0 .
Co2 B25 H357 114.3 .
B23 B26 B24 63.5(10) .
B23 B26 B25 105.4(12) .
B24 B26 B25 55.6(9) .
B23 B26 B27 56.1(10) .
B24 B26 B27 107.1(12) .
B25 B26 B27 106.2(12) .
B23 B26 Co2 113.3(12) .
B24 B26 Co2 111.9(10) .
B25 B26 Co2 62.4(7) .
B27 B26 Co2 65.3(8) .
B23 B26 H26 121.3 .
B24 B26 H26 121.3 .
B25 B26 H26 125.0 .
B27 B26 H26 122.8 .
Co2 B26 H26 115.5 .
B23 B27 B22 65.7(10) .
B23 B27 C216 106.3(11) .
B22 B27 C216 56.5(8) .
B23 B27 B26 57.4(10) .
B22 B27 B26 110.0(14) .
C216 B27 B26 104.2(11) .
B23 B27 Co2 112.2(12) .
B22 B27 Co2 111.9(11) .
C216 B27 Co2 60.8(5) .
B26 B27 Co2 62.8(8) .
B23 B27 H27 120.0 .
B22 B27 H27 118.9 .
C216 B27 H27 125.9 .
B26 B27 H27 123.1 .
Co2 B27 H27 117.6 .
B33 B28 B30 110.7(14) .
B33 B28 B32 60.8(11) .
B30 B28 B32 62.5(11) .
B33 B28 B29 108.0(13) .
B30 B28 B29 63.1(11) .
B32 B28 B29 112.7(13) .
B33 B28 B31 59.6(10) .
B30 B28 B31 109.4(14) .
B32 B28 B31 109.4(13) .
B29 B28 B31 58.2(10) .
B33 B28 H387 121.6 .
B30 B28 H387 118.9 .
B32 B28 H387 119.0 .
B29 B28 H387 120.4 .
B31 B28 H387 122.6 .
B35 B29 B36 63.4(10) .
B35 B29 B31 59.2(11) .
B36 B29 B31 110.7(13) .
B35 B29 B28 108.3(14) .
B36 B29 B28 107.3(12) .
B31 B29 B28 61.6(11) .
B35 B29 B30 108.7(12) .
B36 B29 B30 59.0(10) .
B31 B29 B30 108.3(13) .
B28 B29 B30 58.3(10) .
B35 B29 H29 120.7 .
B36 B29 H29 120.3 .
B31 B29 H29 120.5 .
B28 B29 H29 122.3 .
B30 B29 H29 122.8 .
B34 B30 B36 67.6(11) .
B34 B30 B28 105.4(16) .
B36 B30 B28 105.7(15) .
B34 B30 B32 57.5(10) .
B36 B30 B32 111.3(15) .
B28 B30 B32 58.8(11) .
B34 B30 B29 109.2(14) .
B36 B30 B29 56.7(10) .
B28 B30 B29 58.6(11) .
B32 B30 B29 106.2(15) .
B34 B30 H30 120.0 .
B36 B30 H30 119.3 .
B28 B30 H30 124.6 .
B32 B30 H30 122.3 .
B29 B30 H30 123.5 .
C217 B31 B35 64.5(9) .
C217 B31 B29 108.4(12) .
B35 B31 B29 59.0(11) .
C217 B31 B33 56.5(8) .
B35 B31 B33 110.7(13) .
B29 B31 B33 109.2(14) .
C217 B31 B28 102.6(11) .
B35 B31 B28 107.0(15) .
B29 B31 B28 60.2(11) .
B33 B31 B28 59.1(10) .
C217 B31 H31 123.3 .
B35 B31 H31 119.4 .
B29 B31 H31 121.1 .
B33 B31 H31 121.5 .
B28 B31 H31 124.5 .
C218 B32 B34 61.7(9) .
C218 B32 B28 101.3(12) .
B34 B32 B28 104.9(13) .
C218 B32 B33 56.8(8) .
B34 B32 B33 108.9(13) .
B28 B32 B33 59.3(10) .
C218 B32 B30 102.9(12) .
B34 B32 B30 57.1(10) .
B28 B32 B30 58.7(11) .
B33 B32 B30 106.4(13) .
C218 B32 H32 125.5 .
B34 B32 H32 121.3 .
B28 B32 H32 124.8 .
B33 B32 H32 121.7 .
B30 B32 H32 124.3 .
C217 B33 C218 61.6(7) .
C217 B33 B28 104.6(12) .
C218 B33 B28 100.4(13) .
C217 B33 B31 56.9(8) .
C218 B33 B31 104.8(12) .
B28 B33 B31 61.3(10) .
C217 B33 B32 107.4(12) .
C218 B33 B32 55.1(8) .
B28 B33 B32 59.9(10) .
B31 B33 B32 109.9(14) .
C217 B33 H33 122.5 .
C218 B33 H33 126.1 .
B28 B33 H33 124.5 .
B31 B33 H33 121.5 .
B32 B33 H33 121.6 .
C218 B34 B30 104.5(13) .
C218 B34 B32 55.5(9) .
B30 B34 B32 65.3(11) .
C218 B34 B36 103.0(11) .
B30 B34 B36 57.8(10) .
B32 B34 B36 109.8(12) .
C218 B34 Co2 62.6(6) .
B30 B34 Co2 112.1(11) .
B32 B34 Co2 113.1(13) .
B36 B34 Co2 61.6(7) .
C218 B34 H392 126.7 .
B30 B34 H392 120.6 .
B32 B34 H392 118.9 .
B36 B34 H392 123.8 .
Co2 B34 H392 116.7 .
B29 B35 B31 61.8(10) .
B29 B35 C217 103.7(11) .
B31 B35 C217 55.6(8) .
B29 B35 B36 59.1(10) .
B31 B35 B36 109.4(13) .
C217 B35 B36 106.9(11) .
B29 B35 Co2 113.5(11) .
B31 B35 Co2 112.3(11) .
C217 B35 Co2 62.7(5) .
B36 B35 Co2 64.3(8) .
B29 B35 H35 121.6 .
B31 B35 H35 121.1 .
C217 B35 H35 125.6 .
B36 B35 H35 121.0 .
Co2 B35 H35 115.7 .
B29 B36 B30 64.3(10) .
B29 B36 B35 57.5(10) .
B30 B36 B35 108.3(14) .
B29 B36 B34 105.1(13) .
B30 B36 B34 54.6(9) .
B35 B36 B34 105.4(13) .
B29 B36 Co2 110.7(13) .
B30 B36 Co2 109.0(12) .
B35 B36 Co2 62.5(8) .
B34 B36 Co2 61.3(8) .
B29 B36 H36 121.0 .
B30 B36 H36 121.4 .
B35 B36 H36 122.6 .
B34 B36 H36 125.6 .
Co2 B36 H36 118.6 .
B41 B37 B40 60.9(9) .
B41 B37 B42 61.7(8) .
B40 B37 B42 110.9(11) .
B41 B37 B39 110.4(11) .
B40 B37 B39 61.1(9) .
B42 B37 B39 110.2(11) .
B41 B37 B38 110.8(10) .
B40 B37 B38 110.2(11) .
B42 B37 B38 61.0(8) .
B39 B37 B38 60.5(9) .
B41 B37 H37 119.9 .
B40 B37 H37 120.2 .
B42 B37 H37 119.9 .
B39 B37 H37 120.6 .
B38 B37 H37 120.5 .
C220 B38 B45 63.1(7) .
C220 B38 B37 102.0(9) .
B45 B38 B37 106.2(10) .
C220 B38 B39 105.3(9) .
B45 B38 B39 57.9(8) .
B37 B38 B39 59.5(9) .
C220 B38 B42 57.1(7) .
B45 B38 B42 110.5(10) .
B37 B38 B42 59.1(8) .
B39 B38 B42 107.9(10) .
C220 B38 H38 124.4 .
B45 B38 H38 120.1 .
B37 B38 H38 124.6 .
B39 B38 H38 122.9 .
B42 B38 H38 121.2 .
B44 B39 B45 67.8(9) .
B44 B39 B37 108.4(12) .
B45 B39 B37 106.2(13) .
B44 B39 B38 113.3(12) .
B45 B39 B38 57.5(8) .
B37 B39 B38 59.9(9) .
B44 B39 B40 58.8(8) .
B45 B39 B40 110.6(12) .
B37 B39 B40 59.0(9) .
B38 B39 B40 108.1(13) .
B44 B39 H39 117.5 .
B45 B39 H39 120.0 .
B37 B39 H39 123.6 .
B38 B39 H39 121.2 .
B40 B39 H39 122.3 .
B43 B40 B44 66.3(9) .
B43 B40 B37 107.9(12) .
B44 B40 B37 107.6(11) .
B43 B40 B41 60.4(9) .
B44 B40 B41 113.6(12) .
B37 B40 B41 59.3(9) .
B43 B40 B39 109.3(11) .
B44 B40 B39 56.9(8) .
B37 B40 B39 60.0(9) .
B41 B40 B39 108.2(11) .
B43 B40 H40 119.3 .
B44 B40 H40 119.0 .
B37 B40 H40 123.1 .
B41 B40 H40 120.2 .
B39 B40 H40 123.1 .
C219 B41 B43 65.1(7) .
C219 B41 B37 101.4(9) .
B43 B41 B37 104.3(12) .
C219 B41 B40 105.4(10) .
B43 B41 B40 55.4(8) .
B37 B41 B40 59.8(9) .
C219 B41 B42 55.7(6) .
B43 B41 B42 110.3(10) .
B37 B41 B42 59.7(8) .
B40 B41 B42 108.4(11) .
C219 B41 H358 124.1 .
B43 B41 H358 120.9 .
B37 B41 H358 125.2 .
B40 B41 H358 123.3 .
B42 B41 H358 121.1 .
C219 B42 C220 62.2(5) .
C219 B42 B37 100.7(10) .
C220 B42 B37 100.3(11) .
C219 B42 B41 56.0(6) .
C220 B42 B41 105.4(10) .
B37 B42 B41 58.5(8) .
C219 B42 B38 104.6(10) .
C220 B42 B38 54.2(7) .
B37 B42 B38 59.9(8) .
B41 B42 B38 107.3(11) .
C219 B42 H364 124.4 .
C220 B42 H364 124.8 .
B37 B42 H364 126.2 .
B41 B42 H364 122.7 .
B38 B42 H364 123.1 .
B40 B43 B41 64.2(9) .
B40 B43 C219 104.1(9) .
B41 B43 C219 54.6(7) .
B40 B43 B44 58.9(9) .
B41 B43 B44 110.8(10) .
C219 B43 B44 106.0(9) .
B40 B43 Co3 114.6(10) .
B41 B43 Co3 111.9(9) .
C219 B43 Co3 62.0(4) .
B44 B43 Co3 65.0(7) .
B40 B43 H43 120.4 .
B41 B43 H43 120.2 .
C219 B43 H43 126.8 .
B44 B43 H43 120.8 .
Co3 B43 H43 115.6 .
B39 B44 B40 64.3(9) .
B39 B44 B43 106.1(12) .
B40 B44 B43 54.8(8) .
B39 B44 B45 56.5(8) .
B40 B44 B45 106.3(11) .
B43 B44 B45 104.9(11) .
B39 B44 Co3 109.4(10) .
B40 B44 Co3 108.8(11) .
B43 B44 Co3 62.3(7) .
B45 B44 Co3 61.0(6) .
B39 B44 H44A 121.1 .
B40 B44 H44A 121.9 .
B43 B44 H44A 124.5 .
B45 B44 H44A 124.3 .
Co3 B44 H44A 119.1 .
B38 B45 B39 64.6(9) .
B38 B45 C220 55.4(7) .
B39 B45 C220 104.6(11) .
B38 B45 B44 109.3(10) .
B39 B45 B44 55.7(8) .
C220 B45 B44 106.9(9) .
B38 B45 Co3 113.5(10) .
B39 B45 Co3 111.9(9) .
C220 B45 Co3 63.8(5) .
B44 B45 Co3 64.6(6) .
B38 B45 H45A 119.6 .
B39 B45 H45A 122.2 .
C220 B45 H45A 124.9 .
B44 B45 H45A 122.3 .
Co3 B45 H45A 115.4 .
B50 B46 B49 60.5(9) .
B50 B46 B51 62.8(9) .
B49 B46 B51 113.3(11) .
B50 B46 B48 111.4(11) .
B49 B46 B48 62.2(8) .
B51 B46 B48 113.4(11) .
B50 B46 B47 112.2(11) .
B49 B46 B47 112.9(11) .
B51 B46 B47 61.9(9) .
B48 B46 B47 62.1(9) .
B50 B46 H46A 119.9 .
B49 B46 H46A 119.0 .
B51 B46 H46A 117.9 .
B48 B46 H46A 119.0 .
B47 B46 H46A 119.0 .
B54 B47 B53 65.7(9) .
B54 B47 B46 105.6(10) .
B53 B47 B46 105.4(10) .
B54 B47 B51 110.7(10) .
B53 B47 B51 58.4(8) .
B46 B47 B51 58.7(9) .
B54 B47 B48 59.0(8) .
B53 B47 B48 111.2(10) .
B46 B47 B48 58.7(8) .
B51 B47 B48 108.0(10) .
B54 B47 H47A 119.8 .
B53 B47 H47A 120.0 .
B46 B47 H47A 125.1 .
B51 B47 H47A 121.8 .
B48 B47 H47A 121.4 .
C221 B48 B54 64.7(7) .
C221 B48 B46 100.6(10) .
B54 B48 B46 103.4(12) .
C221 B48 B49 57.0(6) .
B54 B48 B49 110.2(11) .
B46 B48 B49 57.7(8) .
C221 B48 B47 105.3(10) .
B54 B48 B47 55.8(8) .
B46 B48 B47 59.1(8) .
B49 B48 B47 106.9(12) .
C221 B48 H48 123.7 .
B54 B48 H48 121.0 .
B46 B48 H48 126.5 .
B49 B48 H48 121.7 .
B47 B48 H48 123.7 .
C222 B49 C221 61.4(6) .
C222 B49 B46 101.0(10) .
C221 B49 B46 100.4(9) .
C222 B49 B50 56.5(7) .
C221 B49 B50 106.0(9) .
B46 B49 B50 59.5(9) .
C222 B49 B48 104.6(9) .
C221 B49 B48 54.5(6) .
B46 B49 B48 60.1(8) .
B50 B49 B48 108.9(11) .
C222 B49 H49A 124.7 .
C221 B49 H49A 125.0 .
B46 B49 H49A 125.8 .
B50 B49 H49A 121.5 .
B48 B49 H49A 122.6 .
C222 B50 B52 63.9(7) .
C222 B50 B46 101.9(11) .
B52 B50 B46 105.2(10) .
C222 B50 B49 57.3(7) .
B52 B50 B49 111.5(11) .
B46 B50 B49 60.0(9) .
C222 B50 B51 107.0(9) .
B52 B50 B51 57.7(7) .
B46 B50 B51 59.7(8) .
B49 B50 B51 110.3(11) .
C222 B50 H50A 123.8 .
B52 B50 H50A 120.3 .
B46 B50 H50A 125.2 .
B49 B50 H50A 119.9 .
B51 B50 H50A 121.7 .
B52 B51 B53 64.6(8) .
B52 B51 B46 103.0(11) .
B53 B51 B46 105.0(12) .
B52 B51 B50 57.3(8) .
B53 B51 B50 108.9(11) .
B46 B51 B50 57.4(8) .
B52 B51 B47 107.4(11) .
B53 B51 B47 57.1(8) .
B46 B51 B47 59.4(8) .
B50 B51 B47 105.9(11) .
B52 B51 H51A 122.2 .
B53 B51 H51A 120.8 .
B46 B51 H51A 125.2 .
B50 B51 H51A 123.1 .
B47 B51 H51A 123.0 .
B50 B52 B51 65.0(8) .
B50 B52 C222 55.1(7) .
B51 B52 C222 105.9(10) .
B50 B52 B53 110.0(11) .
B51 B52 B53 58.4(8) .
C222 B52 B53 105.9(10) .
B50 B52 Co3 113.6(11) .
B51 B52 Co3 114.8(10) .
C222 B52 Co3 63.7(5) .
B53 B52 Co3 63.8(7) .
B50 B52 H52A 119.7 .
B51 B52 H52A 119.8 .
C222 B52 H52A 125.5 .
B53 B52 H52A 122.3 .
Co3 B52 H52A 114.9 .
B47 B53 B51 64.5(9) .
B47 B53 B54 56.4(8) .
B51 B53 B54 108.3(11) .
B47 B53 B52 107.2(10) .
B51 B53 B52 57.1(7) .
B54 B53 B52 106.2(10) .
B47 B53 Co3 111.7(10) .
B51 B53 Co3 112.6(9) .
B54 B53 Co3 62.9(6) .
B52 B53 Co3 62.6(6) .
B47 B53 H53 120.9 .
B51 B53 H53 119.8 .
B54 B53 H53 123.4 .
B52 B53 H53 123.8 .
Co3 B53 H53 116.9 .
B47 B54 B48 65.2(9) .
B47 B54 C221 104.2(9) .
B48 B54 C221 53.6(6) .
B47 B54 B53 57.9(8) .
B48 B54 B53 110.0(11) .
C221 B54 B53 105.4(9) .
B47 B54 Co3 113.5(10) .
B48 B54 Co3 112.5(8) .
C221 B54 Co3 63.8(4) .
B53 B54 Co3 63.6(6) .
B47 B54 H54A 120.6 .
B48 B54 H54A 120.1 .
C221 B54 H54A 126.4 .
B53 B54 H54A 122.2 .
Co3 B54 H54A 115.5 .
B58 B55 B59 61.5(8) .
B58 B55 B60 61.6(8) .
B59 B55 B60 112.1(10) .
B58 B55 B57 111.4(10) .
B59 B55 B57 61.9(8) .
B60 B55 B57 111.2(10) .
B58 B55 B56 111.8(10) .
B59 B55 B56 112.1(10) .
B60 B55 B56 61.7(8) .
B57 B55 B56 61.0(8) .
B58 B55 H55A 119.6 .
B59 B55 H55A 119.0 .
B60 B55 H55A 119.5 .
B57 B55 H55A 120.0 .
B56 B55 H55A 119.5 .
B63 B56 B62 66.3(8) .
B63 B56 B55 105.5(12) .
B62 B56 B55 106.0(10) .
B63 B56 B57 58.0(8) .
B62 B56 B57 111.4(11) .
B55 B56 B57 59.3(8) .
B63 B56 B60 109.6(10) .
B62 B56 B60 58.0(7) .
B55 B56 B60 58.4(8) .
B57 B56 B60 107.2(11) .
B63 B56 H56 120.3 .
B62 B56 H56 119.4 .
B55 B56 H56 124.5 .
B57 B56 H56 121.7 .
B60 B56 H56 122.8 .
C224 B57 B63 63.8(7) .
C224 B57 B55 101.9(8) .
B63 B57 B55 105.0(10) .
C224 B57 B56 105.9(9) .
B63 B57 B56 56.9(8) .
B55 B57 B56 59.8(8) .
C224 B57 B59 58.2(6) .
B63 B57 B59 111.2(9) .
B55 B57 B59 58.2(8) .
B56 B57 B59 108.1(10) .
C224 B57 H57 123.5 .
B63 B57 H57 120.5 .
B55 B57 H57 125.5 .
B56 B57 H57 122.9 .
B59 B57 H57 120.8 .
C223 B58 B61 64.6(7) .
C223 B58 B55 101.3(9) .
B61 B58 B55 105.1(11) .
C223 B58 B59 56.7(6) .
B61 B58 B59 111.7(10) .
B55 B58 B59 59.9(8) .
C223 B58 B60 105.2(9) .
B61 B58 B60 55.9(8) .
B55 B58 B60 60.3(8) .
B59 B58 B60 109.7(10) .
C223 B58 H58 124.5 .
B61 B58 H58 120.4 .
B55 B58 H58 125.0 .
B59 B58 H58 120.0 .
B60 B58 H58 122.8 .
C223 B59 C224 61.5(5) .
C223 B59 B55 99.5(10) .
C224 B59 B55 100.2(10) .
C223 B59 B58 55.6(6) .
C224 B59 B58 105.3(9) .
B55 B59 B58 58.6(8) .
C223 B59 B57 103.5(9) .
C224 B59 B57 54.1(6) .
B55 B59 B57 59.9(8) .
B58 B59 B57 107.4(11) .
C223 B59 H59 125.5 .
C224 B59 H59 125.0 .
B55 B59 H59 126.4 .
B58 B59 H59 122.5 .
B57 B59 H59 123.3 .
B61 B60 B62 66.8(8) .
B61 B60 B55 105.7(12) .
B62 B60 B55 106.7(10) .
B61 B60 B58 58.9(8) .
B62 B60 B58 112.2(11) .
B55 B60 B58 58.1(8) .
B61 B60 B56 110.0(10) .
B62 B60 B56 57.3(7) .
B55 B60 B56 59.9(8) .
B58 B60 B56 107.5(11) .
B61 B60 H60 119.8 .
B62 B60 H60 119.1 .
B55 B60 H60 124.4 .
B58 B60 H60 121.6 .
B56 B60 H60 122.4 .
B60 B61 B58 65.2(9) .
B60 B61 C223 105.0(9) .
B58 B61 C223 55.0(7) .
B60 B61 B62 58.6(8) .
B58 B61 B62 110.7(9) .
C223 B61 B62 105.0(8) .
B60 B61 Co4 113.6(8) .
B58 B61 Co4 112.6(9) .
C223 B61 Co4 62.6(4) .
B62 B61 Co4 63.1(6) .
B60 B61 H61 120.0 .
B58 B61 H61 119.4 .
C223 B61 H61 126.4 .
B62 B61 H61 122.1 .
Co4 B61 H61 116.2 .
B56 B62 B60 64.7(8) .
B56 B62 B61 106.2(10) .
B60 B62 B61 54.5(7) .
B56 B62 B63 56.3(7) .
B60 B62 B63 107.1(10) .
B61 B62 B63 106.0(11) .
B56 B62 Co4 110.8(10) .
B60 B62 Co4 110.4(10) .
B61 B62 Co4 63.5(6) .
B63 B62 Co4 62.2(6) .
B56 B62 H62 121.0 .
B60 B62 H62 121.4 .
B61 B62 H62 124.2 .
B63 B62 H62 123.7 .
Co4 B62 H62 117.6 .
B56 B63 B57 65.0(9) .
B56 B63 C224 105.6(9) .
B57 B63 C224 55.1(7) .
B56 B63 B62 57.4(7) .
B57 B63 B62 109.9(9) .
C224 B63 B62 106.3(8) .
B56 B63 Co4 113.1(8) .
B57 B63 Co4 112.8(9) .
C224 B63 Co4 63.3(4) .
B62 B63 Co4 63.8(6) .
B56 B63 H63 120.6 .
B57 B63 H63 119.7 .
C224 B63 H63 125.2 .
B62 B63 H63 122.2 .
Co4 B63 H63 115.8 .
B67 B64 B68 61.6(8) .
B67 B64 B66 62.4(9) .
B68 B64 B66 111.6(11) .
B67 B64 B69 113.3(11) .
B68 B64 B69 62.6(9) .
B66 B64 B69 111.0(11) .
B67 B64 B65 111.4(11) .
B68 B64 B65 111.9(10) .
B66 B64 B65 59.5(9) .
B69 B64 B65 61.8(8) .
B67 B64 H64 118.7 .
B68 B64 H64 119.1 .
B66 B64 H64 120.4 .
B69 B64 H64 118.6 .
B65 B64 H64 120.4 .
B71 B65 B72 65.5(9) .
B71 B65 B66 111.6(11) .
B72 B65 B66 59.5(8) .
B71 B65 B64 105.8(10) .
B72 B65 B64 106.5(10) .
B66 B65 B64 59.2(8) .
B71 B65 B69 58.6(8) .
B72 B65 B69 110.6(10) .
B66 B65 B69 107.8(10) .
B64 B65 B69 58.3(8) .
B71 B65 H65 119.8 .
B72 B65 H65 119.6 .
B66 B65 H65 121.1 .
B64 B65 H65 124.6 .
B69 B65 H65 122.2 .
C225 B66 B72 63.0(7) .
C225 B66 B64 101.5(9) .
B72 B66 B64 106.2(12) .
C225 B66 B65 105.4(10) .
B72 B66 B65 57.0(8) .
B64 B66 B65 61.3(9) .
C225 B66 B67 58.2(6) .
B72 B66 B67 111.4(10) .
B64 B66 B67 58.0(8) .
B65 B66 B67 109.3(11) .
C225 B66 H66 124.4 .
B72 B66 H66 120.3 .
B64 B66 H66 124.8 .
B65 B66 H66 122.2 .
B67 B66 H66 120.5 .
C226 B67 C225 60.1(5) .
C226 B67 B64 99.9(10) .
C225 B67 B64 99.8(9) .
C226 B67 B68 55.7(7) .
C225 B67 B68 104.4(9) .
B64 B67 B68 59.6(8) .
C226 B67 B66 102.8(9) .
C225 B67 B66 54.3(6) .
B64 B67 B66 59.6(8) .
B68 B67 B66 107.8(11) .
C226 B67 H67 125.9 .
C225 B67 H67 125.8 .
B64 B67 H67 126.0 .
B68 B67 H67 122.2 .
B66 B67 H67 123.4 .
C226 B68 B70 63.4(7) .
C226 B68 B64 100.5(10) .
B70 B68 B64 104.2(10) .
C226 B68 B67 57.2(7) .
B70 B68 B67 110.8(11) .
B64 B68 B67 58.9(9) .
C226 B68 B69 104.7(9) .
B70 B68 B69 56.7(8) .
B64 B68 B69 59.4(8) .
B67 B68 B69 108.4(10) .
C226 B68 H68 124.7 .
B70 B68 H68 120.8 .
B64 B68 H68 125.9 .
B67 B68 H68 120.6 .
B69 B68 H68 123.1 .
B70 B69 B71 65.8(8) .
B70 B69 B64 104.0(12) .
B71 B69 B64 104.6(12) .
B70 B69 B68 57.8(8) .
B71 B69 B68 110.0(11) .
B64 B69 B68 58.0(8) .
B70 B69 B65 107.6(11) .
B71 B69 B65 55.6(8) .
B64 B69 B65 59.9(8) .
B68 B69 B65 106.7(12) .
B70 B69 H69 121.3 .
B71 B69 H69 120.9 .
B64 B69 H69 124.9 .
B68 B69 H69 122.2 .
B65 B69 H69 123.3 .
B69 B70 B68 65.6(8) .
B69 B70 C226 105.5(10) .
B68 B70 C226 55.5(7) .
B69 B70 B71 58.1(8) .
B68 B70 B71 110.0(10) .
C226 B70 B71 104.0(10) .
B69 B70 Co4 114.1(10) .
B68 B70 Co4 113.8(11) .
C226 B70 Co4 63.0(5) .
B71 B70 Co4 62.9(7) .
B69 B70 H70 119.8 .
B68 B70 H70 118.9 .
C226 B70 H70 126.3 .
B71 B70 H70 123.2 .
Co4 B70 H70 115.5 .
B65 B71 B69 65.8(9) .
B65 B71 B72 57.2(8) .
B69 B71 B72 109.8(11) .
B65 B71 B70 107.9(10) .
B69 B71 B70 56.1(7) .
B72 B71 B70 107.0(10) .
B65 B71 Co4 112.4(10) .
B69 B71 Co4 112.4(9) .
B72 B71 Co4 62.8(6) .
B70 B71 Co4 63.1(6) .
B65 B71 H71 119.9 .
B69 B71 H71 119.5 .
B72 B71 H71 122.6 .
B70 B71 H71 123.8 .
Co4 B71 H71 116.9 .
B65 B72 B66 63.5(9) .
B65 B72 C225 104.5(9) .
B66 B72 C225 55.3(6) .
B65 B72 B71 57.3(8) .
B66 B72 B71 108.4(10) .
C225 B72 B71 105.5(8) .
B65 B72 Co4 113.8(9) .
B66 B72 Co4 113.3(8) .
C225 B72 Co4 63.4(4) .
B71 B72 Co4 64.4(6) .
B65 B72 H72 121.2 .
B66 B72 H72 120.5 .
C225 B72 H72 125.7 .
B71 B72 H72 122.7 .
Co4 B72 H72 114.8 .
B76 B73 B75 62.3(9) .
B76 B73 B77 63.2(9) .
B75 B73 B77 114.1(11) .
B76 B73 B78 112.9(11) .
B75 B73 B78 112.8(11) .
B77 B73 B78 61.2(9) .
B76 B73 B74 112.9(11) .
B75 B73 B74 62.0(9) .
B77 B73 B74 112.3(11) .
B78 B73 B74 61.5(8) .
B76 B73 H73 118.2 .
B75 B73 H73 118.2 .
B77 B73 H73 118.5 .
B78 B73 H73 119.5 .
B74 B73 H73 119.3 .
B80 B74 B79 66.0(8) .
B80 B74 B73 104.6(12) .
B79 B74 B73 105.3(11) .
B80 B74 B75 58.1(9) .
B79 B74 B75 110.4(11) .
B73 B74 B75 58.0(8) .
B80 B74 B78 110.7(10) .
B79 B74 B78 58.5(8) .
B73 B74 B78 59.0(8) .
B75 B74 B78 107.4(11) .
B80 B74 H74A 120.2 .
B79 B74 H74A 119.9 .
B73 B74 H74A 125.4 .
B75 B74 H74A 122.3 .
B78 B74 H74A 121.7 .
B80 B75 B81 65.5(9) .
B80 B75 B73 105.5(11) .
B81 B75 B73 103.2(10) .
B80 B75 B76 110.6(10) .
B81 B75 B76 57.2(8) .
B73 B75 B76 58.5(8) .
B80 B75 B74 57.2(8) .
B81 B75 B74 108.4(10) .
B73 B75 B74 60.0(9) .
B76 B75 B74 108.1(10) .
B80 B75 H75A 120.1 .
B81 B75 H75A 122.0 .
B73 B75 H75A 125.0 .
B76 B75 H75A 121.8 .
B74 B75 H75A 122.1 .
C228 B76 B81 62.7(7) .
C228 B76 B73 100.4(11) .
B81 B76 B73 105.2(12) .
C228 B76 B75 106.0(10) .
B81 B76 B75 58.9(8) .
B73 B76 B75 59.2(9) .
C228 B76 B77 55.7(7) .
B81 B76 B77 108.9(11) .
B73 B76 B77 59.1(9) .
B75 B76 B77 108.3(12) .
C228 B76 H76A 125.1 .
B81 B76 H76A 120.7 .
B73 B76 H76A 125.6 .
B75 B76 H76A 121.9 .
B77 B76 H76A 121.9 .
C228 B77 C227 61.0(6) .
C228 B77 B73 99.6(9) .
C227 B77 B73 101.4(10) .
C228 B77 B78 105.0(9) .
C227 B77 B78 56.4(7) .
B73 B77 B78 59.9(9) .
C228 B77 B76 56.0(7) .
C227 B77 B76 105.5(9) .
B73 B77 B76 57.7(8) .
B78 B77 B76 107.5(10) .
C228 B77 H77A 125.2 .
C227 B77 H77A 124.1 .
B73 B77 H77A 126.5 .
B78 B77 H77A 122.2 .
B76 B77 H77A 122.9 .
C227 B78 B79 64.1(7) .
C227 B78 B73 100.8(11) .
B79 B78 B73 105.1(11) .
C227 B78 B77 56.6(7) .
B79 B78 B77 110.9(11) .
B73 B78 B77 58.9(8) .
C227 B78 B74 106.2(10) .
B79 B78 B74 57.6(8) .
B73 B78 B74 59.5(9) .
B77 B78 B74 108.7(11) .
C227 B78 H78 124.3 .
B79 B78 H78 120.1 .
B73 B78 H78 125.7 .
B77 B78 H78 121.0 .
B74 B78 H78 122.3 .
B74 B79 B78 63.9(8) .
B74 B79 C227 104.3(10) .
B78 B79 C227 55.2(7) .
B74 B79 B80 56.5(8) .
B78 B79 B80 107.6(11) .
C227 B79 B80 104.4(10) .
B74 B79 Co5 113.1(11) .
B78 B79 Co5 111.8(10) .
C227 B79 Co5 61.9(5) .
B80 B79 Co5 64.8(7) .
B74 B79 H79A 121.3 .
B78 B79 H79A 120.9 .
C227 B79 H79A 126.4 .
B80 B79 H79A 123.2 .
Co5 B79 H79A 115.8 .
B74 B80 B75 64.7(9) .
B74 B80 B81 108.0(11) .
B75 B80 B81 57.4(8) .
B74 B80 B79 57.6(8) .
B75 B80 B79 109.1(10) .
B81 B80 B79 106.0(10) .
B74 B80 Co5 111.6(9) .
B75 B80 Co5 112.1(9) .
B81 B80 Co5 62.1(6) .
B79 B80 Co5 61.8(6) .
B74 B80 H80A 120.1 .
B75 B80 H80A 119.5 .
B81 B80 H80A 123.7 .
B79 B80 H80A 123.3 .
Co5 B80 H80A 117.8 .
B76 B81 B75 64.0(8) .
B76 B81 C228 57.2(7) .
B75 B81 C228 105.8(9) .
B76 B81 B80 109.3(11) .
B75 B81 B80 57.1(8) .
C228 B81 B80 105.7(10) .
B76 B81 Co5 114.7(10) .
B75 B81 Co5 114.0(10) .
C228 B81 Co5 62.8(5) .
B80 B81 Co5 64.6(7) .
B76 B81 H81A 119.1 .
B75 B81 H81A 120.9 .
C228 B81 H81A 125.0 .
B80 B81 H81A 122.8 .
Co5 B81 H81A 114.7 .
B83 B82 B84 62.1(9) .
B83 B82 B86 62.2(9) .
B84 B82 B86 112.1(11) .
B83 B82 B85 112.6(11) .
B84 B82 B85 61.7(9) .
B86 B82 B85 111.1(11) .
B83 B82 B87 111.6(10) .
B84 B82 B87 111.1(11) .
B86 B82 B87 60.7(9) .
B85 B82 B87 61.0(8) .
B83 B82 H82A 118.7 .
B84 B82 H82A 119.3 .
B86 B82 H82A 119.7 .
B85 B82 H82A 119.5 .
B87 B82 H82A 120.4 .
C229 B83 C230 60.5(6) .
C229 B83 B82 101.5(10) .
C230 B83 B82 100.6(10) .
C229 B83 B84 56.0(7) .
C230 B83 B84 104.6(11) .
B82 B83 B84 59.9(9) .
C229 B83 B86 104.8(9) .
C230 B83 B86 55.3(7) .
B82 B83 B86 59.7(8) .
B84 B83 B86 108.4(11) .
C229 B83 H83 124.7 .
C230 B83 H83 125.5 .
B82 B83 H83 125.4 .
B84 B83 H83 122.2 .
B86 B83 H83 122.4 .
C229 B84 B90 64.1(7) .
C229 B84 B82 100.6(10) .
B90 B84 B82 104.8(10) .
C229 B84 B83 56.7(7) .
B90 B84 B83 110.3(11) .
B82 B84 B83 58.1(9) .
C229 B84 B85 105.5(9) .
B90 B84 B85 56.5(8) .
B82 B84 B85 60.2(9) .
B83 B84 B85 108.1(11) .
C229 B84 H84A 124.3 .
B90 B84 H84A 120.6 .
B82 B84 H84A 125.7 .
B83 B84 H84A 121.4 .
B85 B84 H84A 122.7 .
B90 B85 B89 66.5(9) .
B90 B85 B82 104.5(12) .
B89 B85 B82 105.6(12) .
B90 B85 B84 58.4(8) .
B89 B85 B84 111.6(12) .
B82 B85 B84 58.0(9) .
B90 B85 B87 108.4(12) .
B89 B85 B87 56.3(8) .
B82 B85 B87 59.7(9) .
B84 B85 B87 107.1(12) .
B90 B85 H85A 120.8 .
B89 B85 H85A 119.8 .
B82 B85 H85A 124.8 .
B84 B85 H85A 121.6 .
B87 B85 H85A 123.1 .
C230 B86 B88 63.9(8) .
C230 B86 B82 101.0(11) .
B88 B86 B82 106.2(12) .
C230 B86 B83 57.5(7) .
B88 B86 B83 111.8(11) .
B82 B86 B83 58.1(8) .
C230 B86 B87 104.5(11) .
B88 B86 B87 56.3(9) .
B82 B86 B87 61.1(9) .
B83 B86 B87 108.6(12) .
C230 B86 H86 124.7 .
B88 B86 H86 119.9 .
B82 B86 H86 124.9 .
B83 B86 H86 120.7 .
B87 B86 H86 123.0 .
B88 B87 B89 66.7(9) .
B88 B87 B86 59.3(9) .
B89 B87 B86 112.6(12) .
B88 B87 B82 106.4(11) .
B89 B87 B82 107.2(11) .
B86 B87 B82 58.3(8) .
B88 B87 B85 111.3(11) .
B89 B87 B85 58.7(8) .
B86 B87 B85 107.7(11) .
B82 B87 B85 59.3(8) .
B88 B87 H87 119.2 .
B89 B87 H87 118.6 .
B86 B87 H87 121.5 .
B82 B87 H87 124.4 .
B85 B87 H87 121.8 .
B87 B88 B86 64.4(9) .
B87 B88 C230 103.8(10) .
B86 B88 C230 54.9(7) .
B87 B88 B89 57.1(9) .
B86 B88 B89 109.1(11) .
C230 B88 B89 104.6(10) .
B87 B88 Co5 112.8(10) .
B86 B88 Co5 111.6(9) .
C230 B88 Co5 61.7(6) .
B89 B88 Co5 64.3(7) .
B87 B88 H88A 121.2 .
B86 B88 H88A 120.3 .
C230 B88 H88A 126.8 .
B89 B88 H88A 122.5 .
Co5 B88 H88A 116.3 .
B87 B89 B85 65.0(9) .
B87 B89 B88 56.1(9) .
B85 B89 B88 108.0(11) .
B87 B89 B90 106.6(11) .
B85 B89 B90 55.5(8) .
B88 B89 B90 106.2(11) .
B87 B89 Co5 110.3(11) .
B85 B89 Co5 110.4(10) .
B88 B89 Co5 62.4(7) .
B90 B89 Co5 62.4(6) .
B87 B89 H89A 121.1 .
B85 B89 H89A 120.7 .
B88 B89 H89A 123.3 .
B90 B89 H89A 124.2 .
Co5 B89 H89A 118.2 .
B85 B90 B84 65.1(9) .
B85 B90 C229 105.4(11) .
B84 B90 C229 55.3(7) .
B85 B90 B89 58.0(8) .
B84 B90 B89 110.2(11) .
C229 B90 B89 105.4(10) .
B85 B90 Co5 113.6(10) .
B84 B90 Co5 112.9(10) .
C229 B90 Co5 62.8(5) .
B89 B90 Co5 63.6(7) .
B85 B90 H90 120.3 .
B84 B90 H90 119.5 .
C229 B90 H90 125.9 .
B89 B90 H90 122.3 .
Co5 B90 H90 115.9 .
B95 B91 B94 60.7(9) .
B95 B91 B92 112.0(10) .
B94 B91 B92 112.9(11) .
B95 B91 B96 61.6(8) .
B94 B91 B96 112.6(10) .
B92 B91 B96 62.8(9) .
B95 B91 B93 110.9(11) .
B94 B91 B93 61.6(8) .
B92 B91 B93 62.6(9) .
B96 B91 B93 113.9(11) .
B95 B91 H91 120.5 .
B94 B91 H91 119.4 .
B92 B91 H91 118.4 .
B96 B91 H91 118.1 .
B93 B91 H91 118.9 .
B98 B92 B97 65.6(9) .
B98 B92 B91 106.8(11) .
B97 B92 B91 104.9(10) .
B98 B92 B93 111.1(11) .
B97 B92 B93 57.7(8) .
B91 B92 B93 59.0(8) .
B98 B92 B96 59.3(9) .
B97 B92 B96 110.1(10) .
B91 B92 B96 58.9(8) .
B93 B92 B96 107.8(10) .
B98 B92 H92 119.1 .
B97 B92 H92 120.9 .
B91 B92 H92 124.6 .
B93 B92 H92 121.9 .
B96 B92 H92 121.7 .
C232 B93 B97 63.5(8) .
C232 B93 B91 100.8(11) .
B97 B93 B91 103.1(12) .
C232 B93 B94 58.0(8) .
B97 B93 B94 110.3(11) .
B91 B93 B94 58.1(8) .
C232 B93 B92 104.4(11) .
B97 B93 B92 56.0(8) .
B91 B93 B92 58.5(8) .
B94 B93 B92 106.8(12) .
C232 B93 H93 124.1 .
B97 B93 H93 121.4 .
B91 B93 H93 126.5 .
B94 B93 H93 121.1 .
B92 B93 H93 124.1 .
C231 B94 C232 60.3(8) .
C231 B94 B91 100.4(11) .
C232 B94 B91 99.8(10) .
C231 B94 B95 56.0(8) .
C232 B94 B95 104.7(11) .
B91 B94 B95 59.7(9) .
C231 B94 B93 103.9(10) .
C232 B94 B93 54.4(7) .
B91 B94 B93 60.3(8) .
B95 B94 B93 109.0(11) .
C231 B94 H94 125.5 .
C232 B94 H94 125.9 .
B91 B94 H94 125.9 .
B95 B94 H94 121.8 .
B93 B94 H94 122.5 .
C231 B95 B99 63.9(9) .
C231 B95 B91 101.4(12) .
B99 B95 B91 105.2(11) .
C231 B95 B94 57.5(8) .
B99 B95 B94 111.9(12) .
B91 B95 B94 59.6(9) .
C231 B95 B96 106.4(10) .
B99 B95 B96 57.2(8) .
B91 B95 B96 60.3(8) .
B94 B95 B96 110.6(11) .
C231 B95 H95 124.2 .
B99 B95 H95 120.3 .
B91 B95 H95 125.3 .
B94 B95 H95 119.6 .
B96 B95 H95 121.7 .
B99 B96 B98 66.6(8) .
B99 B96 B91 104.0(11) .
B98 B96 B91 102.8(12) .
B99 B96 B95 57.9(8) .
B98 B96 B95 109.9(11) .
B91 B96 B95 58.1(8) .
B99 B96 B92 107.6(11) .
B98 B96 B92 54.8(8) .
B91 B96 B92 58.4(8) .
B95 B96 B92 105.7(11) .
B99 B96 H96 120.6 .
B98 B96 H96 121.4 .
B91 B96 H96 125.9 .
B95 B96 H96 122.3 .
B92 B96 H96 124.3 .
B92 B97 B93 66.3(9) .
B92 B97 C232 105.8(10) .
B93 B97 C232 54.9(7) .
B92 B97 B98 56.8(8) .
B93 B97 B98 111.0(11) .
C232 B97 B98 106.7(10) .
B92 B97 Co6 113.9(10) .
B93 B97 Co6 114.0(9) .
C232 B97 Co6 63.8(6) .
B98 B97 Co6 64.7(6) .
B92 B97 H97 120.4 .
B93 B97 H97 118.8 .
C232 B97 H97 125.4 .
B98 B97 H97 121.9 .
Co6 B97 H97 114.9 .
B92 B98 B96 65.9(9) .
B92 B98 B97 57.6(9) .
B96 B98 B97 109.2(11) .
B92 B98 B99 107.2(10) .
B96 B98 B99 55.0(7) .
B97 B98 B99 105.7(10) .
B92 B98 Co6 112.5(10) .
B96 B98 Co6 111.3(9) .
B97 B98 Co6 62.4(6) .
B99 B98 Co6 62.7(6) .
B92 B98 H98 119.5 .
B96 B98 H98 120.1 .
B97 B98 H98 123.1 .
B99 B98 H98 124.8 .
Co6 B98 H98 117.3 .
B96 B99 B95 64.9(8) .
B96 B99 C231 105.8(11) .
B95 B99 C231 55.4(8) .
B96 B99 B98 58.4(8) .
B95 B99 B98 108.8(11) .
C231 B99 B98 103.9(11) .
B96 B99 Co6 114.1(10) .
B95 B99 Co6 113.0(11) .
C231 B99 Co6 63.0(7) .
B98 B99 Co6 62.6(7) .
B96 B99 H99 119.6 .
B95 B99 H99 119.9 .
C231 B99 H99 126.0 .
B98 B99 H99 123.6 .
Co6 B99 H99 115.7 .
B104 B100 B103 61.2(8) .
B104 B100 B102 112.5(11) .
B103 B100 B102 63.5(9) .
B104 B100 B101 111.9(10) .
B103 B100 B101 114.0(11) .
B102 B100 B101 61.7(9) .
B104 B100 B105 61.7(9) .
B103 B100 B105 112.2(11) .
B102 B100 B105 111.3(11) .
B101 B100 B105 60.9(9) .
B104 B100 H100 119.6 .
B103 B100 H100 118.0 .
B102 B100 H100 118.9 .
B101 B100 H100 119.0 .
B105 B100 H100 120.1 .
C233 B101 B108 61.9(8) .
C233 B101 B100 100.3(9) .
B108 B101 B100 102.9(10) .
C233 B101 B105 56.8(8) .
B108 B101 B105 109.0(10) .
B100 B101 B105 59.7(9) .
C233 B101 B102 103.1(10) .
B108 B101 B102 56.5(8) .
B100 B101 B102 58.0(8) .
B105 B101 B102 107.3(10) .
C233 B101 H101 125.6 .
B108 B101 H101 122.1 .
B100 B101 H101 126.0 .
B105 B101 H101 120.9 .
B102 B101 H101 124.1 .
B108 B102 B107 66.2(8) .
B108 B102 B100 106.7(13) .
B107 B102 B100 106.9(11) .
B108 B102 B101 58.9(8) .
B107 B102 B101 113.0(11) .
B100 B102 B101 60.3(9) .
B108 B102 B103 110.4(11) .
B107 B102 B103 59.1(8) .
B100 B102 B103 58.0(8) .
B101 B102 B103 108.4(12) .
B108 B102 H102 119.9 .
B107 B102 H102 118.6 .
B100 B102 H102 124.1 .
B101 B102 H102 120.4 .
B103 B102 H102 122.3 .
B106 B103 B100 107.0(11) .
B106 B103 B107 65.9(9) .
B100 B103 B107 105.1(10) .
B106 B103 B104 59.8(9) .
B100 B103 B104 59.3(8) .
B107 B103 B104 111.6(11) .
B106 B103 B102 108.8(10) .
B100 B103 B102 58.5(8) .
B107 B103 B102 56.4(7) .
B104 B103 B102 106.9(10) .
B106 B103 H103 119.5 .
B100 B103 H103 124.2 .
B107 B103 H103 120.4 .
B104 B103 H103 120.9 .
B102 B103 H103 123.8 .
C234 B104 B106 64.4(8) .
C234 B104 B100 102.1(10) .
B106 B104 B100 104.4(12) .
C234 B104 B103 106.2(11) .
B106 B104 B103 56.4(8) .
B100 B104 B103 59.4(9) .
C234 B104 B105 56.6(7) .
B106 B104 B105 111.1(10) .
B100 B104 B105 60.8(9) .
B103 B104 B105 110.1(11) .
C234 B104 H104 123.9 .
B106 B104 H104 120.9 .
B100 B104 H104 125.0 .
B103 B104 H104 122.5 .
B105 B104 H104 119.9 .
C234 B105 C233 61.1(8) .
C234 B105 B100 99.4(11) .
C233 B105 B100 99.0(12) .
C234 B105 B104 56.3(8) .
C233 B105 B104 104.4(11) .
B100 B105 B104 57.6(8) .
C234 B105 B101 105.4(12) .
C233 B105 B101 55.4(8) .
B100 B105 B101 59.4(9) .
B104 B105 B101 107.3(12) .
C234 B105 H105 124.6 .
C233 B105 H105 125.5 .
B100 B105 H105 127.5 .
B104 B105 H105 123.0 .
B101 B105 H105 122.3 .
B103 B106 B104 63.7(9) .
B103 B106 C234 105.2(10) .
B104 B106 C234 55.8(8) .
B103 B106 B107 59.6(8) .
B104 B106 B107 109.8(10) .
C234 B106 B107 104.6(10) .
B103 B106 Co6 114.6(9) .
B104 B106 Co6 111.9(9) .
C234 B106 Co6 61.3(6) .
B107 B106 Co6 63.5(6) .
B103 B106 H106 119.7 .
B104 B106 H106 120.2 .
C234 B106 H106 126.5 .
B107 B106 H106 122.0 .
Co6 B106 H106 116.3 .
B102 B107 B103 64.5(8) .
B102 B107 B106 106.2(11) .
B103 B107 B106 54.5(8) .
B102 B107 B108 56.5(8) .
B103 B107 B108 107.3(11) .
B106 B107 B108 106.4(11) .
B102 B107 Co6 110.7(10) .
B103 B107 Co6 110.3(11) .
B106 B107 Co6 63.5(7) .
B108 B107 Co6 62.2(7) .
B102 B107 H107 121.1 .
B103 B107 H107 121.6 .
B106 B107 H107 124.1 .
B108 B107 H107 123.4 .
Co6 B107 H107 117.6 .
B102 B108 C233 104.8(11) .
B102 B108 B101 64.6(9) .
C233 B108 B101 56.0(8) .
B102 B108 B107 57.4(8) .
C233 B108 B107 106.0(10) .
B101 B108 B107 110.5(10) .
B102 B108 Co6 113.5(9) .
C233 B108 Co6 62.8(6) .
B101 B108 Co6 113.9(10) .
B107 B108 Co6 64.5(6) .
B102 B108 H108 121.2 .
C233 B108 H108 125.7 .
B101 B108 H108 119.0 .
B107 B108 H108 121.9 .
Co6 B108 H108 115.2 .
B111 B109 B113 111.7(14) .
B111 B109 B112 61.6(10) .
B113 B109 B112 61.1(11) .
B111 B109 B114 110.9(14) .
B113 B109 B114 63.2(11) .
B112 B109 B114 112.2(14) .
B111 B109 B110 61.2(10) .
B113 B109 B110 112.8(14) .
B112 B109 B110 111.8(13) .
B114 B109 B110 60.9(11) .
B111 B109 H10A 120.1 .
B113 B109 H10A 118.6 .
B112 B109 H10A 119.5 .
B114 B109 H10A 119.3 .
B110 B109 H10A 119.5 .
C236 B110 C235 60.6(8) .
C236 B110 B111 57.6(8) .
C235 B110 B111 107.1(11) .
C236 B110 B109 99.5(11) .
C235 B110 B109 101.5(12) .
B111 B110 B109 57.4(10) .
C236 B110 B114 102.7(12) .
C235 B110 B114 55.3(9) .
B111 B110 B114 106.7(12) .
B109 B110 B114 59.5(10) .
C236 B110 H110 125.6 .
C235 B110 H110 123.8 .
B111 B110 H110 121.9 .
B109 B110 H110 126.6 .
B114 B110 H110 123.8 .
C236 B111 B117 62.3(8) .
C236 B111 B109 100.5(13) .
B117 B111 B109 103.3(13) .
C236 B111 B112 104.9(12) .
B117 B111 B112 56.6(9) .
B109 B111 B112 59.8(10) .
C236 B111 B110 54.9(8) .
B117 B111 B110 108.2(12) .
B109 B111 B110 61.3(10) .
B112 B111 B110 110.5(13) .
C236 B111 H111 125.8 .
B117 B111 H111 122.6 .
B109 B111 H111 125.0 .
B112 B111 H111 121.9 .
B110 B111 H111 120.6 .
B117 B112 B116 65.4(10) .
B117 B112 B109 105.0(13) .
B116 B112 B109 103.3(14) .
B117 B112 B113 107.5(13) .
B116 B112 B113 55.3(10) .
B109 B112 B113 58.6(10) .
B117 B112 B111 59.9(9) .
B116 B112 B111 111.4(12) .
B109 B112 B111 58.6(10) .
B113 B112 B111 107.2(13) .
B117 B112 H112 120.5 .
B116 B112 H112 121.3 .
B109 B112 H112 125.5 .
B113 B112 H112 123.9 .
B111 B112 H112 120.6 .
B116 B113 B109 109.9(15) .
B116 B113 B112 61.9(11) .
B109 B113 B112 60.3(11) .
B116 B113 B115 65.0(10) .
B109 B113 B115 106.2(13) .
B112 B113 B115 112.5(13) .
B116 B113 B114 109.2(13) .
B109 B113 B114 60.4(11) .
B112 B113 B114 109.3(14) .
B115 B113 B114 55.5(9) .
B116 B113 H113 118.5 .
B109 B113 H113 122.3 .
B112 B113 H113 119.2 .
B115 B113 H113 121.2 .
B114 B113 H113 123.1 .
C235 B114 B115 64.9(10) .
C235 B114 B109 103.1(15) .
B115 B114 B109 107.1(15) .
C235 B114 B110 57.3(10) .
B115 B114 B110 112.2(15) .
B109 B114 B110 59.6(11) .
C235 B114 B113 107.4(14) .
B115 B114 B113 60.7(10) .
B109 B114 B113 56.4(10) .
B110 B114 B113 106.2(14) .
C235 B114 H11B 122.8 .
B115 B114 H11B 117.8 .
B109 B114 H11B 125.3 .
B110 B114 H11B 121.5 .
B113 B114 H11B 123.4 .
B114 B115 C235 55.6(9) .
B114 B115 B113 63.8(10) .
C235 B115 B113 103.0(12) .
B114 B115 B116 106.4(14) .
C235 B115 B116 104.9(13) .
B113 B115 B116 53.2(9) .
B114 B115 Co7 111.7(12) .
C235 B115 Co7 61.9(7) .
B113 B115 Co7 109.9(12) .
B116 B115 Co7 65.4(8) .
B114 B115 H115 120.7 .
C235 B115 H115 125.8 .
B113 B115 H115 123.8 .
B116 B115 H115 123.8 .
Co7 B115 H115 116.3 .
B113 B116 B112 62.8(10) .
B113 B116 B117 105.2(12) .
B112 B116 B117 54.9(9) .
B113 B116 B115 61.8(10) .
B112 B116 B115 110.8(12) .
B117 B116 B115 106.3(11) .
B113 B116 Co7 113.1(11) .
B112 B116 Co7 111.3(10) .
B117 B116 Co7 63.2(7) .
B115 B116 Co7 60.8(7) .
B113 B116 H116 119.8 .
B112 B116 H116 120.8 .
B117 B116 H116 125.3 .
B115 B116 H116 121.1 .
Co7 B116 H116 117.5 .
B112 B117 B111 63.6(9) .
B112 B117 C236 106.0(11) .
B111 B117 C236 56.7(8) .
B112 B117 B116 59.6(10) .
B111 B117 B116 109.8(12) .
C236 B117 B116 104.9(12) .
B112 B117 Co7 115.9(12) .
B111 B117 Co7 114.0(11) .
C236 B117 Co7 62.4(7) .
B116 B117 Co7 63.9(8) .
B112 B117 H117 119.4 .
B111 B117 H117 119.6 .
C236 B117 H117 125.9 .
B116 B117 H117 122.3 .
Co7 B117 H117 114.8 .
B123 B118 B121 111.9(14) .
B123 B118 B120 114.0(14) .
B121 B118 B120 63.8(10) .
B123 B118 B122 62.2(11) .
B121 B118 B122 59.9(10) .
B120 B118 B122 113.1(13) .
B123 B118 B119 62.4(11) .
B121 B118 B119 114.9(14) .
B120 B118 B119 63.0(11) .
B122 B118 B119 113.7(14) .
B123 B118 H11A 118.9 .
B121 B118 H11A 118.9 .
B120 B118 H11A 117.4 .
B122 B118 H11A 119.5 .
B119 B118 H11A 117.4 .
B124 B119 B125 65.5(10) .
B124 B119 B118 104.6(13) .
B125 B119 B118 104.5(12) .
B124 B119 B123 58.8(10) .
B125 B119 B123 110.5(13) .
B118 B119 B123 57.9(10) .
B124 B119 B120 109.4(12) .
B125 B119 B120 57.9(9) .
B118 B119 B120 58.0(10) .
B123 B119 B120 106.3(13) .
B124 B119 H119 120.3 .
B125 B119 H119 120.3 .
B118 B119 H119 125.8 .
B123 B119 H119 122.2 .
B120 B119 H119 122.9 .
B126 B120 B125 66.5(9) .
B126 B120 B118 103.5(13) .
B125 B120 B118 104.8(14) .
B126 B120 B119 109.4(13) .
B125 B120 B119 57.4(9) .
B118 B120 B119 59.0(10) .
B126 B120 B121 57.3(9) .
B125 B120 B121 110.5(13) .
B118 B120 B121 57.9(10) .
B119 B120 B121 106.8(14) .
B126 B120 H12A 121.0 .
B125 B120 H12A 120.0 .
B118 B120 H12A 125.7 .
B119 B120 H12A 122.5 .
B121 B120 H12A 122.4 .
C237 B121 B126 63.0(9) .
C237 B121 B118 101.5(13) .
B126 B121 B118 103.7(12) .
C237 B121 B122 57.1(10) .
B126 B121 B122 110.5(13) .
B118 B121 B122 60.7(11) .
C237 B121 B120 105.2(12) .
B126 B121 B120 57.2(9) .
B118 B121 B120 58.3(10) .
B122 B121 B120 109.3(13) .
C237 B121 H121 124.5 .
B126 B121 H121 121.3 .
B118 B121 H121 125.6 .
B122 B121 H121 119.9 .
B120 B121 H121 123.0 .
C237 B122 C238 61.0(9) .
C237 B122 B121 57.9(10) .
C238 B122 B121 106.9(13) .
C237 B122 B118 101.1(14) .
C238 B122 B118 99.7(13) .
B121 B122 B118 59.4(11) .
C237 B122 B123 104.9(13) .
C238 B122 B123 55.6(9) .
B121 B122 B123 108.1(13) .
B118 B122 B123 58.1(10) .
C237 B122 H12C 124.1 .
C238 B122 H12C 124.7 .
B121 B122 H12C 121.0 .
B118 B122 H12C 126.9 .
B123 B122 H12C 123.1 .
C238 B123 B124 63.2(10) .
C238 B123 B118 102.4(14) .
B124 B123 B118 105.0(15) .
C238 B123 B122 57.5(9) .
B124 B123 B122 110.5(13) .
B118 B123 B122 59.7(11) .
C238 B123 B119 106.5(14) .
B124 B123 B119 57.5(10) .
B118 B123 B119 59.7(11) .
B122 B123 B119 109.5(14) .
C238 B123 H12D 123.7 .
B124 B123 H12D 121.0 .
B118 B123 H12D 124.9 .
B122 B123 H12D 120.4 .
B119 B123 H12D 122.1 .
B119 B124 B123 63.7(11) .
B119 B124 C238 105.3(12) .
B123 B124 C238 55.4(9) .
B119 B124 B125 57.3(10) .
B123 B124 B125 107.9(13) .
C238 B124 B125 105.5(12) .
B119 B124 Co7 115.2(12) .
B123 B124 Co7 113.1(11) .
C238 B124 Co7 62.9(7) .
B125 B124 Co7 65.4(7) .
B119 B124 H124 120.4 .
B123 B124 H124 120.9 .
C238 B124 H124 125.7 .
B125 B124 H124 122.7 .
Co7 B124 H124 114.3 .
B119 B125 B120 64.8(10) .
B119 B125 B124 57.1(9) .
B120 B125 B124 108.2(12) .
B119 B125 B126 107.3(11) .
B120 B125 B126 56.3(8) .
B124 B125 B126 105.7(11) .
B119 B125 Co7 111.4(11) .
B120 B125 Co7 112.9(10) .
B124 B125 Co7 61.2(7) .
B126 B125 Co7 63.9(7) .
B119 B125 H125 120.5 .
B120 B125 H125 119.8 .
B124 B125 H125 124.1 .
B126 B125 H125 123.7 .
Co7 B125 H125 117.0 .
B120 B126 B121 65.5(9) .
B120 B126 C237 106.7(12) .
B121 B126 C237 56.5(9) .
B120 B126 B125 57.2(8) .
B121 B126 B125 109.6(12) .
C237 B126 B125 105.0(12) .
B120 B126 Co7 112.9(11) .
B121 B126 Co7 113.1(12) .
C237 B126 Co7 62.2(7) .
B125 B126 Co7 63.1(7) .
B120 B126 H12B 120.1 .
B121 B126 H12B 119.0 .
C237 B126 H12B 125.2 .
B125 B126 H12B 123.2 .
Co7 B126 H12B 116.4 .
B130 B127 B131 63.7(11) .
B130 B127 B129 61.8(10) .
B131 B127 B129 114.7(13) .
B130 B127 B132 113.2(13) .
B131 B127 B132 61.8(11) .
B129 B127 B132 112.9(13) .
B130 B127 B128 113.1(13) .
B131 B127 B128 114.8(13) .
B129 B127 B128 61.6(10) .
B132 B127 B128 63.0(10) .
B130 B127 H127 118.5 .
B131 B127 H127 117.1 .
B129 B127 H127 118.8 .
B132 B127 H127 118.9 .
B128 B127 H127 118.2 .
C240 B128 B133 63.6(8) .
C240 B128 B127 99.9(12) .
B133 B128 B127 103.4(13) .
C240 B128 B129 56.5(8) .
B133 B128 B129 109.7(12) .
B127 B128 B129 58.3(9) .
C240 B128 B132 104.2(12) .
B133 B128 B132 57.1(9) .
B127 B128 B132 57.6(10) .
B129 B128 B132 105.8(13) .
C240 B128 H128 124.7 .
B133 B128 H128 120.8 .
B127 B128 H128 126.8 .
B129 B128 H128 122.0 .
B132 B128 H128 124.3 .
C239 B129 C240 61.7(8) .
C239 B129 B127 99.6(12) .
C240 B129 B127 100.7(10) .
C239 B129 B130 57.0(9) .
C240 B129 B130 106.7(11) .
B127 B129 B130 57.5(10) .
C239 B129 B128 105.5(10) .
C240 B129 B128 55.7(8) .
B127 B129 B128 60.2(9) .
B130 B129 B128 108.4(11) .
C239 B129 H129 124.6 .
C240 B129 H129 124.1 .
B127 B129 H129 127.1 .
B130 B129 H129 122.0 .
B128 B129 H129 122.0 .
C239 B130 B135 62.5(9) .
C239 B130 B127 101.2(13) .
B135 B130 B127 103.9(12) .
C239 B130 B129 55.8(9) .
B135 B130 B129 108.8(13) .
B127 B130 B129 60.8(10) .
C239 B130 B131 106.6(12) .
B135 B130 B131 58.1(10) .
B127 B130 B131 59.1(10) .
B129 B130 B131 110.2(13) .
C239 B130 H130 124.8 .
B135 B130 H130 121.8 .
B127 B130 H130 125.4 .
B129 B130 H130 120.7 .
B131 B130 H130 121.4 .
B135 B131 B127 101.7(14) .
B135 B131 B134 64.6(10) .
B127 B131 B134 104.3(15) .
B135 B131 B132 106.2(15) .
B127 B131 B132 59.8(11) .
B134 B131 B132 56.2(10) .
B135 B131 B130 57.3(9) .
B127 B131 B130 57.2(10) .
B134 B131 B130 109.6(14) .
B132 B131 B130 106.4(15) .
B135 B131 H13A 123.0 .
B127 B131 H13A 125.7 .
B134 B131 H13A 121.0 .
B132 B131 H13A 123.3 .
B130 B131 H13A 122.4 .
B134 B132 B133 66.8(11) .
B134 B132 B127 107.0(14) .
B133 B132 B127 104.9(13) .
B134 B132 B131 60.9(11) .
B133 B132 B131 113.0(14) .
B127 B132 B131 58.4(10) .
B134 B132 B128 111.8(13) .
B133 B132 B128 57.0(9) .
B127 B132 B128 59.4(10) .
B131 B132 B128 109.1(13) .
B134 B132 H132 118.2 .
B133 B132 H132 120.0 .
B127 B132 H132 125.2 .
B131 B132 H132 120.1 .
B128 B132 H132 121.7 .
B132 B133 B128 65.9(10) .
B132 B133 C240 105.1(11) .
B128 B133 C240 56.0(8) .
B132 B133 B134 55.7(10) .
B128 B133 B134 110.0(12) .
C240 B133 B134 105.4(11) .
B132 B133 Co8 111.8(12) .
B128 B133 Co8 112.8(10) .
C240 B133 Co8 61.8(6) .
B134 B133 Co8 64.4(7) .
B132 B133 H133 121.4 .
B128 B133 H133 118.8 .
C240 B133 H133 125.8 .
B134 B133 H133 122.7 .
Co8 B133 H133 116.4 .
B132 B134 B131 63.0(11) .
B132 B134 B135 105.0(12) .
B131 B134 B135 56.3(9) .
B132 B134 B133 57.5(10) .
B131 B134 B133 107.4(12) .
B135 B134 B133 104.5(11) .
B132 B134 Co8 111.0(12) .
B131 B134 Co8 111.6(10) .
B135 B134 Co8 62.4(7) .
B133 B134 Co8 61.7(7) .
B132 B134 H134 121.6 .
B131 B134 H134 120.7 .
B135 B134 H134 125.1 .
B133 B134 H134 123.8 .
Co8 B134 H134 117.5 .
B130 B135 B131 64.5(10) .
B130 B135 C239 56.7(9) .
B131 B135 C239 107.1(13) .
B130 B135 B134 110.9(13) .
B131 B135 B134 59.1(10) .
C239 B135 B134 106.9(13) .
B130 B135 Co8 114.4(12) .
B131 B135 Co8 115.7(12) .
C239 B135 Co8 63.1(7) .
B134 B135 Co8 64.3(8) .
B130 B135 H135 119.1 .
B131 B135 H135 119.3 .
C239 B135 H135 124.8 .
B134 B135 H135 121.5 .
Co8 B135 H135 114.7 .
B138 B136 B139 62.4(10) .
B138 B136 B141 111.6(14) .
B139 B136 B141 113.0(14) .
B138 B136 B140 113.0(14) .
B139 B136 B140 62.7(11) .
B141 B136 B140 61.5(11) .
B138 B136 B137 60.6(10) .
B139 B136 B137 111.8(13) .
B141 B136 B137 61.3(10) .
B140 B136 B137 111.4(14) .
B138 B136 H136 119.3 .
B139 B136 H136 118.3 .
B141 B136 H136 119.4 .
B140 B136 H136 118.8 .
B137 B136 H136 120.4 .
C242 B137 B142 63.2(9) .
C242 B137 B138 56.9(9) .
B142 B137 B138 110.7(13) .
C242 B137 B136 100.0(13) .
B142 B137 B136 104.8(12) .
B138 B137 B136 58.5(10) .
C242 B137 B141 105.0(12) .
B142 B137 B141 58.3(8) .
B138 B137 B141 107.4(13) .
B136 B137 B141 58.3(10) .
C242 B137 H137 124.9 .
B142 B137 H137 120.0 .
B138 B137 H137 121.3 .
B136 B137 H137 126.4 .
B141 B137 H137 123.1 .
C242 B138 C241 60.2(9) .
C242 B138 B136 101.7(13) .
C241 B138 B136 100.6(12) .
C242 B138 B137 56.6(9) .
C241 B138 B137 105.8(12) .
B136 B138 B137 61.0(10) .
C242 B138 B139 104.5(12) .
C241 B138 B139 55.7(9) .
B136 B138 B139 58.9(10) .
B137 B138 B139 109.2(12) .
C242 B138 H138 124.9 .
C241 B138 H138 125.2 .
B136 B138 H138 125.5 .
B137 B138 H138 121.0 .
B139 B138 H138 122.6 .
C241 B139 B144 63.8(9) .
C241 B139 B136 101.5(14) .
B144 B139 B136 105.2(14) .
C241 B139 B138 57.2(9) .
B144 B139 B138 110.6(13) .
B136 B139 B138 58.7(10) .
C241 B139 B140 104.8(13) .
B144 B139 B140 57.1(9) .
B136 B139 B140 58.8(10) .
B138 B139 B140 106.9(14) .
C241 B139 H139 124.2 .
B144 B139 H139 120.2 .
B136 B139 H139 125.4 .
B138 B139 H139 121.4 .
B140 B139 H139 123.8 .
B144 B140 B143 66.0(10) .
B144 B140 B136 105.7(13) .
B143 B140 B136 109.4(14) .
B144 B140 B141 111.3(13) .
B143 B140 B141 61.1(10) .
B136 B140 B141 59.2(11) .
B144 B140 B139 58.1(9) .
B143 B140 B139 112.4(13) .
B136 B140 B139 58.5(10) .
B141 B140 B139 107.6(13) .
B144 B140 H140 120.4 .
B143 B140 H140 117.2 .
B136 B140 H140 123.9 .
B141 B140 H140 121.1 .
B139 B140 H140 122.2 .
B142 B141 B136 107.2(13) .
B142 B141 B143 65.7(9) .
B136 B141 B143 105.9(14) .
B142 B141 B140 109.3(13) .
B136 B141 B140 59.3(11) .
B143 B141 B140 56.7(10) .
B142 B141 B137 59.3(9) .
B136 B141 B137 60.4(10) .
B143 B141 B137 112.1(12) .
B140 B141 B137 108.8(13) .
B142 B141 H141 119.9 .
B136 B141 H141 123.5 .
B143 B141 H141 120.3 .
B140 B141 H141 122.8 .
B137 B141 H141 120.2 .
B141 B142 B137 62.4(9) .
B141 B142 C242 101.8(11) .
B137 B142 C242 54.8(8) .
B141 B142 B143 58.2(9) .
B137 B142 B143 108.5(11) .
C242 B142 B143 103.8(12) .
B141 B142 Co8 111.6(12) .
B137 B142 Co8 111.3(11) .
C242 B142 Co8 61.9(7) .
B143 B142 Co8 62.9(7) .
B141 B142 H142 122.4 .
B137 B142 H142 120.9 .
C242 B142 H142 127.3 .
B143 B142 H142 122.6 .
Co8 B142 H142 116.8 .
B140 B143 B141 62.1(10) .
B140 B143 B144 56.9(10) .
B141 B143 B144 105.3(12) .
B140 B143 B142 105.9(12) .
B141 B143 B142 56.1(8) .
B144 B143 B142 105.4(11) .
B140 B143 Co8 109.8(10) .
B141 B143 Co8 109.1(10) .
B144 B143 Co8 61.5(7) .
B142 B143 Co8 62.1(6) .
B140 B143 H14B 121.7 .
B141 B143 H14B 122.6 .
B144 B143 H14B 124.1 .
B142 B143 H14B 124.0 .
Co8 B143 H14B 118.7 .
B140 B144 B139 64.7(10) .
B140 B144 C241 104.5(12) .
B139 B144 C241 55.6(8) .
B140 B144 B143 57.1(10) .
B139 B144 B143 110.6(13) .
C241 B144 B143 106.3(12) .
B140 B144 Co8 112.8(12) .
B139 B144 Co8 112.8(11) .
C241 B144 Co8 62.2(7) .
B143 B144 Co8 64.8(7) .
B140 B144 H14A 121.4 .
B139 B144 H14A 119.3 .
C241 B144 H14A 125.9 .
B143 B144 H14A 121.5 .
Co8 B144 H14A 115.9 .
B148 B145 B150 61.8(8) .
B148 B145 B149 62.6(8) .
B150 B145 B149 112.5(10) .
B148 B145 B147 112.0(10) .
B150 B145 B147 111.1(10) .
B149 B145 B147 61.0(8) .
B148 B145 B146 112.2(10) .
B150 B145 B146 61.5(8) .
B149 B145 B146 111.7(10) .
B147 B145 B146 61.2(8) .
B148 B145 H145 118.7 .
B150 B145 H145 119.5 .
B149 B145 H145 119.1 .
B147 B145 H145 120.1 .
B146 B145 H145 119.6 .
B152 B146 B153 66.4(8) .
B152 B146 B145 105.3(10) .
B153 B146 B145 103.9(12) .
B152 B146 B147 110.6(11) .
B153 B146 B147 57.0(8) .
B145 B146 B147 58.7(8) .
B152 B146 B150 58.0(7) .
B153 B146 B150 109.0(10) .
B145 B146 B150 58.0(8) .
B147 B146 B150 106.3(11) .
B152 B146 H146 119.5 .
B153 B146 H146 121.1 .
B145 B146 H146 125.4 .
B147 B146 H146 122.4 .
B150 B146 H146 123.0 .
C244 B147 B153 62.7(8) .
C244 B147 B145 102.4(9) .
B153 B147 B145 105.6(10) .
C244 B147 B149 57.8(7) .
B153 B147 B149 110.6(10) .
B145 B147 B149 59.5(8) .
C244 B147 B146 106.2(10) .
B153 B147 B146 57.8(8) .
B145 B147 B146 60.1(8) .
B149 B147 B146 109.5(10) .
C244 B147 H147 124.0 .
B153 B147 H147 120.8 .
B145 B147 H147 124.6 .
B149 B147 H147 120.4 .
B146 B147 H147 122.0 .
C243 B148 B151 62.9(8) .
C243 B148 B145 99.5(9) .
B151 B148 B145 104.4(10) .
C243 B148 B150 103.9(10) .
B151 B148 B150 57.0(8) .
B145 B148 B150 59.5(8) .
C243 B148 B149 55.0(7) .
B151 B148 B149 108.9(9) .
B145 B148 B149 59.6(8) .
B150 B148 B149 108.3(10) .
C243 B148 H148 126.1 .
B151 B148 H148 121.2 .
B145 B148 H148 125.5 .
B150 B148 H148 122.9 .
B149 B148 H148 121.6 .
C243 B149 C244 61.1(7) .
C243 B149 B145 99.1(10) .
C244 B149 B145 100.0(11) .
C243 B149 B147 103.2(10) .
C244 B149 B147 54.5(7) .
B145 B149 B147 59.5(8) .
C243 B149 B148 56.4(7) .
C244 B149 B148 105.6(10) .
B145 B149 B148 57.8(8) .
B147 B149 B148 106.8(11) .
C243 B149 H149 125.5 .
C244 B149 H149 124.8 .
B145 B149 H149 127.0 .
B147 B149 H149 123.5 .
B148 B149 H149 122.5 .
B151 B150 B152 66.6(8) .
B151 B150 B145 104.6(11) .
B152 B150 B145 106.5(10) .
B151 B150 B148 58.0(8) .
B152 B150 B148 112.3(10) .
B145 B150 B148 58.7(8) .
B151 B150 B146 109.5(10) .
B152 B150 B146 57.0(7) .
B145 B150 B146 60.5(8) .
B148 B150 B146 109.0(10) .
B151 B150 H150 120.9 .
B152 B150 H150 119.3 .
B145 B150 H150 124.4 .
B148 B150 H150 121.0 .
B146 B150 H150 121.9 .
B150 B151 B148 65.0(8) .
B150 B151 C243 105.8(9) .
B148 B151 C243 57.3(7) .
B150 B151 B152 57.8(7) .
B148 B151 B152 110.8(9) .
C243 B151 B152 105.0(9) .
B150 B151 Co9 113.7(8) .
B148 B151 Co9 114.9(9) .
C243 B151 Co9 62.5(6) .
B152 B151 Co9 63.5(6) .
B150 B151 H15F 120.5 .
B148 B151 H15F 118.0 .
C243 B151 H15F 125.6 .
B152 B151 H15F 122.7 .
Co9 B151 H15F 115.4 .
B146 B152 B150 65.0(8) .
B146 B152 B151 107.1(11) .
B150 B152 B151 55.6(7) .
B146 B152 B153 57.1(7) .
B150 B152 B153 107.3(11) .
B151 B152 B153 104.6(11) .
B146 B152 Co9 111.6(10) .
B150 B152 Co9 111.0(10) .
B151 B152 Co9 62.6(6) .
B153 B152 Co9 61.5(6) .
B146 B152 H15A 120.0 .
B150 B152 H15A 120.8 .
B151 B152 H15A 124.6 .
B153 B152 H15A 124.3 .
Co9 B152 H15A 117.7 .
B147 B153 B146 65.3(9) .
B147 B153 C244 55.9(8) .
B146 B153 C244 106.9(10) .
B147 B153 B152 109.3(10) .
B146 B153 B152 56.5(7) .
C244 B153 B152 107.0(9) .
B147 B153 Co9 114.0(9) .
B146 B153 Co9 113.3(8) .
C244 B153 Co9 64.0(6) .
B152 B153 Co9 64.1(6) .
B147 B153 H153 119.4 .
B146 B153 H153 120.6 .
C244 B153 H153 124.1 .
B152 B153 H153 122.8 .
Co9 B153 H153 115.1 .
B159 B154 B156 111.7(10) .
B159 B154 B155 110.4(10) .
B156 B154 B155 62.2(8) .
B159 B154 B158 61.5(9) .
B156 B154 B158 61.8(8) .
B155 B154 B158 111.9(10) .
B159 B154 B157 60.9(8) .
B156 B154 B157 111.7(10) .
B155 B154 B157 60.6(8) .
B158 B154 B157 111.4(10) .
B159 B154 H15C 120.2 .
B156 B154 H15C 119.0 .
B155 B154 H15C 119.9 .
B158 B154 H15C 119.3 .
B157 B154 H15C 120.1 .
C246 B155 B160 65.1(8) .
C246 B155 B154 100.4(10) .
B160 B155 B154 104.4(10) .
C246 B155 B157 55.6(8) .
B160 B155 B157 111.1(11) .
B154 B155 B157 59.8(8) .
C246 B155 B156 105.0(9) .
B160 B155 B156 56.3(7) .
B154 B155 B156 59.0(8) .
B157 B155 B156 108.4(10) .
C246 B155 H15D 124.7 .
B160 B155 H15D 120.2 .
B154 B155 H15D 125.8 .
B157 B155 H15D 120.8 .
B156 B155 H15D 123.4 .
B160 B156 B161 67.1(8) .
B160 B156 B154 106.0(11) .
B161 B156 B154 105.7(11) .
B160 B156 B158 109.8(11) .
B161 B156 B158 56.8(7) .
B154 B156 B158 59.0(8) .
B160 B156 B155 58.3(7) .
B161 B156 B155 111.5(10) .
B154 B156 B155 58.8(8) .
B158 B156 B155 107.1(11) .
B160 B156 H15B 119.7 .
B161 B156 H15B 119.7 .
B154 B156 H15B 124.5 .
B158 B156 H15B 123.0 .
B155 B156 H15B 121.8 .
C246 B157 C245 60.9(7) .
C246 B157 B154 101.1(11) .
C245 B157 B154 99.7(10) .
C246 B157 B155 56.9(8) .
C245 B157 B155 105.6(10) .
B154 B157 B155 59.6(8) .
C246 B157 B159 104.2(10) .
C245 B157 B159 54.5(7) .
B154 B157 B159 59.1(8) .
B155 B157 B159 108.1(11) .
C246 B157 H15G 124.6 .
C245 B157 H15G 125.4 .
B154 B157 H15G 126.2 .
B155 B157 H15G 121.6 .
B159 B157 H15G 123.2 .
B162 B158 B161 65.4(9) .
B162 B158 B154 107.4(10) .
B161 B158 B154 107.3(9) .
B162 B158 B159 59.8(8) .
B161 B158 B159 111.7(10) .
B154 B158 B159 58.9(8) .
B162 B158 B156 110.4(10) .
B161 B158 B156 58.7(8) .
B154 B158 B156 59.2(8) .
B159 B158 B156 107.4(10) .
B162 B158 H158 119.5 .
B161 B158 H158 119.3 .
B154 B158 H158 123.6 .
B159 B158 H158 121.4 .
B156 B158 H158 122.3 .
C245 B159 B162 63.6(8) .
C245 B159 B154 103.5(11) .
B162 B159 B154 104.9(12) .
C245 B159 B157 58.6(7) .
B162 B159 B157 111.6(11) .
B154 B159 B157 60.0(8) .
C245 B159 B158 105.4(11) .
B162 B159 B158 56.1(8) .
B154 B159 B158 59.6(8) .
B157 B159 B158 109.0(11) .
C245 B159 H15E 123.3 .
B162 B159 H15E 121.0 .
B154 B159 H15E 124.5 .
B157 B159 H15E 119.7 .
B158 B159 H15E 123.4 .
B156 B160 B155 65.4(8) .
B156 B160 C246 104.2(10) .
B155 B160 C246 55.0(8) .
B156 B160 B161 57.6(7) .
B155 B160 B161 109.6(10) .
C246 B160 B161 103.2(10) .
B156 B160 Co9 112.3(9) .
B155 B160 Co9 111.9(10) .
C246 B160 Co9 61.8(6) .
B161 B160 Co9 62.5(6) .
B156 B160 H16A 120.6 .
B155 B160 H16A 119.5 .
C246 B160 H16A 127.1 .
B161 B160 H16A 123.4 .
Co9 B160 H16A 116.9 .
B158 B161 B156 64.6(8) .
B158 B161 B162 56.7(8) .
B156 B161 B162 108.3(10) .
B158 B161 B160 106.7(10) .
B156 B161 B160 55.3(7) .
B162 B161 B160 107.2(10) .
B158 B161 Co9 111.0(10) .
B156 B161 Co9 111.2(8) .
B162 B161 Co9 62.4(6) .
B160 B161 Co9 63.6(6) .
B158 B161 H16C 121.1 .
B156 B161 H16C 120.8 .
B162 B161 H16C 122.9 .
B160 B161 H16C 123.7 .
Co9 B161 H16C 117.4 .
B158 B162 B159 64.2(9) .
B158 B162 C245 104.4(10) .
B159 B162 C245 54.1(7) .
B158 B162 B161 57.9(8) .
B159 B162 B161 109.3(11) .
C245 B162 B161 106.2(10) .
B158 B162 Co9 114.1(10) .
B159 B162 Co9 111.7(8) .
C245 B162 Co9 62.8(5) .
B161 B162 Co9 64.9(6) .
B158 B162 H16B 120.7 .
B159 B162 H16B 121.0 .
C245 B162 H16B 126.2 .
B161 B162 H16B 121.6 .
Co9 B162 H16B 115.4 .
B165 B163 B167 60.9(8) .
B165 B163 B164 62.7(9) .
B167 B163 B164 112.8(10) .
B165 B163 B166 112.1(10) .
B167 B163 B166 111.6(10) .
B164 B163 B166 61.8(8) .
B165 B163 B168 110.9(10) .
B167 B163 B168 61.4(8) .
B164 B163 B168 112.2(10) .
B166 B163 B168 61.3(8) .
B165 B163 H163 119.6 .
B167 B163 H163 119.6 .
B164 B163 H163 118.3 .
B166 B163 H163 119.5 .
B168 B163 H163 119.9 .
B170 B164 B171 66.1(9) .
B170 B164 B163 107.8(12) .
B171 B164 B163 104.4(12) .
B170 B164 B166 59.3(8) .
B171 B164 B166 109.4(11) .
B163 B164 B166 59.2(8) .
B170 B164 B165 110.7(12) .
B171 B164 B165 56.9(8) .
B163 B164 B165 58.3(8) .
B166 B164 B165 106.4(12) .
B170 B164 H16F 118.5 .
B171 B164 H16F 121.3 .
B163 B164 H16F 124.2 .
B166 B164 H16F 122.3 .
B165 B164 H16F 123.0 .
C248 B165 B171 63.0(8) .
C248 B165 B163 102.2(10) .
B171 B165 B163 105.5(10) .
C248 B165 B167 58.2(8) .
B171 B165 B167 111.8(10) .
B163 B165 B167 59.9(8) .
C248 B165 B164 105.0(10) .
B171 B165 B164 57.6(8) .
B163 B165 B164 58.9(8) .
B167 B165 B164 108.9(10) .
C248 B165 H16H 124.2 .
B171 B165 H16H 120.3 .
B163 B165 H16H 125.0 .
B167 B165 H16H 119.8 .
B164 B165 H16H 123.2 .
B169 B166 B170 66.7(9) .
B169 B166 B163 106.6(12) .
B170 B166 B163 105.6(10) .
B169 B166 B168 59.3(9) .
B170 B166 B168 112.9(11) .
B163 B166 B168 59.8(8) .
B169 B166 B164 109.8(11) .
B170 B166 B164 56.8(8) .
B163 B166 B164 59.0(8) .
B168 B166 B164 108.7(11) .
B169 B166 H16D 119.6 .
B170 B166 H16D 119.7 .
B163 B166 H16D 124.3 .
B168 B166 H16D 120.2 .
B164 B166 H16D 122.7 .
C247 B167 C248 60.6(7) .
C247 B167 B163 99.7(10) .
C248 B167 B163 98.9(11) .
C247 B167 B165 103.7(11) .
C248 B167 B165 54.3(8) .
B163 B167 B165 59.3(8) .
C247 B167 B168 55.5(7) .
C248 B167 B168 104.4(10) .
B163 B167 B168 59.9(8) .
B165 B167 B168 108.4(11) .
C247 B167 H16G 125.6 .
C248 B167 H16G 126.1 .
B163 B167 H16G 126.5 .
B165 B167 H16G 122.9 .
B168 B167 H16G 122.0 .
C247 B168 B169 63.1(8) .
C247 B168 B163 99.5(10) .
B169 B168 B163 103.6(11) .
C247 B168 B167 56.4(7) .
B169 B168 B167 109.8(10) .
B163 B168 B167 58.8(8) .
C247 B168 B166 103.8(11) .
B169 B168 B166 56.5(8) .
B163 B168 B166 58.9(8) .
B167 B168 B166 107.6(11) .
C247 B168 H168 125.4 .
B169 B168 H168 121.2 .
B163 B168 H168 126.3 .
B167 B168 H168 121.2 .
B166 B168 H168 123.6 .
B166 B169 B168 64.2(9) .
B166 B169 C247 103.6(10) .
B168 B169 C247 55.0(7) .
B166 B169 B170 58.2(8) .
B168 B169 B170 110.1(10) .
C247 B169 B170 104.6(9) .
B166 B169 Co10 113.5(9) .
B168 B169 Co10 113.0(9) .
C247 B169 Co10 62.6(6) .
B170 B169 Co10 63.8(6) .
B166 B169 H16E 121.0 .
B168 B169 H16E 119.7 .
C247 B169 H16E 126.9 .
B170 B169 H16E 122.2 .
Co10 B169 H16E 115.6 .
B164 B170 B166 63.9(9) .
B164 B170 B171 57.2(8) .
B166 B170 B171 106.3(11) .
B164 B170 B169 106.4(11) .
B166 B170 B169 55.1(8) .
B171 B170 B169 104.8(11) .
B164 B170 Co10 111.3(11) .
B166 B170 Co10 108.9(11) .
B171 B170 Co10 62.3(7) .
B169 B170 Co10 61.4(7) .
B164 B170 H17A 120.4 .
B166 B170 H17A 122.2 .
B171 B170 H17A 123.9 .
B169 B170 H17A 124.9 .
Co10 B170 H17A 118.4 .
B165 B171 C248 55.1(8) .
B165 B171 B164 65.6(9) .
C248 B171 B164 105.3(11) .
B165 B171 B170 110.3(10) .
C248 B171 B170 106.2(10) .
B164 B171 B170 56.8(8) .
B165 B171 Co10 112.7(10) .
C248 B171 Co10 62.9(6) .
B164 B171 Co10 112.5(9) .
B170 B171 Co10 64.0(6) .
B165 B171 H171 119.3 .
C248 B171 H171 125.5 .
B164 B171 H171 121.0 .
B170 B171 H171 122.2 .
Co10 B171 H171 116.1 .
B173 B172 B175 59.4(8) .
B173 B172 B174 61.8(8) .
B175 B172 B174 110.7(10) .
B173 B172 B176 112.5(10) .
B175 B172 B176 112.1(10) .
B174 B172 B176 62.8(8) .
B173 B172 B177 110.4(10) .
B175 B172 B177 61.9(8) .
B174 B172 B177 112.4(10) .
B176 B172 B177 61.6(8) .
B173 B172 H172 120.4 .
B175 B172 H172 120.4 .
B174 B172 H172 119.0 .
B176 B172 H172 118.4 .
B177 B172 H172 119.6 .
C250 B173 B178 64.6(9) .
C250 B173 B175 55.8(8) .
B178 B173 B175 110.7(11) .
C250 B173 B172 101.6(11) .
B178 B173 B172 104.9(10) .
B175 B173 B172 60.6(8) .
C250 B173 B174 106.6(10) .
B178 B173 B174 57.1(8) .
B175 B173 B174 109.8(11) .
B172 B173 B174 59.4(8) .
C250 B173 H173 124.1 .
B178 B173 H173 120.5 .
B175 B173 H173 120.5 .
B172 B173 H173 125.1 .
B174 B173 H173 122.2 .
B178 B174 B179 66.0(8) .
B178 B174 B172 105.6(11) .
B179 B174 B172 105.2(12) .
B178 B174 B173 58.7(8) .
B179 B174 B173 111.0(11) .
B172 B174 B173 58.8(8) .
B178 B174 B176 109.0(11) .
B179 B174 B176 57.0(8) .
B172 B174 B176 58.5(8) .
B173 B174 B176 106.7(11) .
B178 B174 H174 120.2 .
B179 B174 H174 120.2 .
B172 B174 H174 124.7 .
B173 B174 H174 121.7 .
B176 B174 H174 123.3 .
C250 B175 C249 61.2(8) .
C250 B175 B173 57.8(8) .
C249 B175 B173 106.3(11) .
C250 B175 B172 102.8(11) .
C249 B175 B172 100.2(10) .
B173 B175 B172 60.0(8) .
C250 B175 B177 105.3(10) .
C249 B175 B177 54.6(7) .
B173 B175 B177 109.0(11) .
B172 B175 B177 59.5(8) .
C250 B175 H17B 123.5 .
C249 B175 H17B 125.4 .
B173 B175 H17B 121.0 .
B172 B175 H17B 125.5 .
B177 B175 H17B 122.8 .
B180 B176 B179 65.3(9) .
B180 B176 B172 105.7(10) .
B179 B176 B172 105.9(10) .
B180 B176 B177 58.2(8) .
B179 B176 B177 110.8(10) .
B172 B176 B177 59.6(8) .
B180 B176 B174 109.0(10) .
B179 B176 B174 57.9(8) .
B172 B176 B174 58.6(8) .
B177 B176 B174 107.5(10) .
B180 B176 H176 120.7 .
B179 B176 H176 120.0 .
B172 B176 H176 124.1 .
B177 B176 H176 121.5 .
B174 B176 H176 122.8 .
C249 B177 B180 64.2(8) .
C249 B177 B172 101.0(10) .
B180 B177 B172 103.9(11) .
C249 B177 B176 105.6(10) .
B180 B177 B176 56.7(8) .
B172 B177 B176 58.8(8) .
C249 B177 B175 56.5(7) .
B180 B177 B175 109.8(10) .
B172 B177 B175 58.6(8) .
B176 B177 B175 107.1(11) .
C249 B177 H177 123.9 .
B180 B177 H177 120.9 .
B172 B177 H177 126.0 .
B176 B177 H177 123.3 .
B175 B177 H177 121.8 .
B174 B178 B173 64.2(8) .
B174 B178 C250 104.6(11) .
B173 B178 C250 54.8(8) .
B174 B178 B179 57.8(8) .
B173 B178 B179 108.9(10) .
C250 B178 B179 105.0(11) .
B174 B178 Co10 114.4(10) .
B173 B178 Co10 112.7(11) .
C250 B178 Co10 62.9(6) .
B179 B178 Co10 64.4(7) .
B174 B178 H178 120.5 .
B173 B178 H178 120.4 .
C250 B178 H178 126.3 .
B179 B178 H178 122.5 .
Co10 B178 H178 115.1 .
B176 B179 B174 65.1(9) .
B176 B179 B180 56.6(8) .
B174 B179 B180 107.9(11) .
B176 B179 B178 107.6(10) .
B174 B179 B178 56.2(7) .
B180 B179 B178 105.8(10) .
B176 B179 Co10 111.5(10) .
B174 B179 Co10 110.7(9) .
B180 B179 Co10 62.7(6) .
B178 B179 Co10 61.8(6) .
B176 B179 H179 120.2 .
B174 B179 H179 120.6 .
B180 B179 H179 123.5 .
B178 B179 H179 124.1 .
Co10 B179 H179 117.8 .
B176 B180 B177 65.1(9) .
B176 B180 C249 104.9(10) .
B177 B180 C249 54.9(7) .
B176 B180 B179 58.1(8) .
B177 B180 B179 110.6(11) .
C249 B180 B179 105.8(10) .
B176 B180 Co10 114.5(10) .
B177 B180 Co10 112.9(8) .
C249 B180 Co10 62.7(6) .
B179 B180 Co10 64.6(6) .
B176 B180 H180 120.2 .
B177 B180 H180 119.6 .
C249 B180 H180 126.3 .
B179 B180 H180 121.7 .
Co10 B180 H180 115.2 .
B185 B181 B182 112.3(10) .
B185 B181 B186 63.0(8) .
B182 B181 B186 62.4(8) .
B185 B181 B184 61.3(9) .
B182 B181 B184 110.5(11) .
B186 B181 B184 113.0(10) .
B185 B181 B183 110.0(11) .
B182 B181 B183 60.5(9) .
B186 B181 B183 111.6(11) .
B184 B181 B183 60.2(9) .
B185 B181 H181 119.4 .
B182 B181 H181 119.7 .
B186 B181 H181 118.0 .
B184 B181 H181 120.0 .
B183 B181 H181 121.2 .
C251 B182 C252 60.5(8) .
C251 B182 B181 101.7(10) .
C252 B182 B181 101.3(10) .
C251 B182 B183 104.5(11) .
C252 B182 B183 54.9(8) .
B181 B182 B183 60.5(9) .
C251 B182 B186 57.9(8) .
C252 B182 B186 106.4(10) .
B181 B182 B186 58.9(8) .
B183 B182 B186 108.8(11) .
C251 B182 H182 124.4 .
C252 B182 H182 124.9 .
B181 B182 H182 125.5 .
B183 B182 H182 122.5 .
B186 B182 H182 121.3 .
C252 B183 B187 62.3(9) .
C252 B183 B181 101.7(13) .
B187 B183 B181 104.1(12) .
C252 B183 B182 57.1(9) .
B187 B183 B182 108.7(12) .
B181 B183 B182 59.0(9) .
C252 B183 B184 106.6(11) .
B187 B183 B184 57.9(9) .
B181 B183 B184 59.5(9) .
B182 B183 B184 108.7(12) .
C252 B183 H183 124.0 .
B187 B183 H183 121.8 .
B181 B183 H183 125.5 .
B182 B183 H183 121.5 .
B184 B183 H183 121.8 .
B187 B184 B188 65.1(9) .
B187 B184 B181 102.9(11) .
B188 B184 B181 104.1(12) .
B187 B184 B183 55.6(8) .
B188 B184 B183 109.1(11) .
B181 B184 B183 60.3(9) .
B187 B184 B185 107.5(12) .
B188 B184 B185 57.3(9) .
B181 B184 B185 58.1(8) .
B183 B184 B185 107.5(12) .
B187 B184 H184 122.8 .
B188 B184 H184 120.9 .
B181 B184 H184 125.2 .
B183 B184 H184 122.0 .
B185 B184 H184 122.8 .
B188 B185 B189 66.6(9) .
B188 B185 B181 106.5(11) .
B189 B185 B181 105.0(10) .
B188 B185 B184 57.7(9) .
B189 B185 B184 110.9(11) .
B181 B185 B184 60.7(9) .
B188 B185 B186 111.0(10) .
B189 B185 B186 57.0(7) .
B181 B185 B186 59.4(8) .
B184 B185 B186 109.7(10) .
B188 B185 H185 119.7 .
B189 B185 H185 120.7 .
B181 B185 H185 124.0 .
B184 B185 H185 120.8 .
B186 B185 H185 121.5 .
C251 B186 B189 64.2(8) .
C251 B186 B181 98.6(11) .
B189 B186 B181 103.6(11) .
C251 B186 B182 53.8(7) .
B189 B186 B182 108.2(11) .
B181 B186 B182 58.8(8) .
C251 B186 B185 103.5(11) .
B189 B186 B185 57.0(7) .
B181 B186 B185 57.6(8) .
B182 B186 B185 105.3(11) .
C251 B186 H186 125.9 .
B189 B186 H186 120.7 .
B181 B186 H186 126.6 .
B182 B186 H186 123.2 .
B185 B186 H186 124.4 .
B183 B187 B184 66.5(9) .
B183 B187 C252 58.0(8) .
B184 B187 C252 109.9(12) .
B183 B187 B188 112.0(12) .
B184 B187 B188 57.9(8) .
C252 B187 B188 108.4(12) .
B183 B187 Co11 116.9(11) .
B184 B187 Co11 117.3(11) .
C252 B187 Co11 63.6(7) .
B188 B187 Co11 65.8(7) .
B183 B187 H18A 117.3 .
B184 B187 H18A 118.2 .
C252 B187 H18A 123.4 .
B188 B187 H18A 121.5 .
Co11 B187 H18A 113.2 .
B185 B188 B184 65.0(9) .
B185 B188 B187 107.3(10) .
B184 B188 B187 57.1(8) .
B185 B188 B189 57.1(8) .
B184 B188 B189 109.2(11) .
B187 B188 B189 105.7(10) .
B185 B188 Co11 113.5(9) .
B184 B188 Co11 112.4(9) .
B187 B188 Co11 61.2(6) .
B189 B188 Co11 64.3(6) .
B185 B188 H188 119.9 .
B184 B188 H188 119.6 .
B187 B188 H188 124.9 .
B189 B188 H188 122.7 .
Co11 B188 H188 116.4 .
B186 B189 B185 66.0(8) .
B186 B189 C251 57.6(7) .
B185 B189 C251 105.3(10) .
B186 B189 B188 110.1(10) .
B185 B189 B188 56.3(8) .
C251 B189 B188 102.6(10) .
B186 B189 Co11 113.4(9) .
B185 B189 Co11 111.5(10) .
C251 B189 Co11 60.4(6) .
B188 B189 Co11 62.7(6) .
B186 B189 H189 117.6 .
B185 B189 H189 120.9 .
C251 B189 H189 126.6 .
B188 B189 H189 124.0 .
Co11 B189 H189 117.3 .
B195 B190 B194 61.0(9) .
B195 B190 B192 111.4(11) .
B194 B190 B192 110.7(11) .
B195 B190 B191 60.8(9) .
B194 B190 B191 110.4(11) .
B192 B190 B191 62.2(9) .
B195 B190 B193 111.3(11) .
B194 B190 B193 61.7(9) .
B192 B190 B193 60.4(9) .
B191 B190 B193 111.1(11) .
B195 B190 H190 119.9 .
B194 B190 H190 120.2 .
B192 B190 H190 119.8 .
B191 B190 H190 119.9 .
B193 B190 H190 119.9 .
C254 B191 B196 63.8(8) .
C254 B191 B190 100.9(11) .
B196 B191 B190 103.8(12) .
C254 B191 B195 57.2(8) .
B196 B191 B195 110.7(12) .
B190 B191 B195 59.1(8) .
C254 B191 B192 103.6(11) .
B196 B191 B192 55.5(8) .
B190 B191 B192 58.9(9) .
B195 B191 B192 107.3(12) .
C254 B191 H191 124.6 .
B196 B191 H191 121.1 .
B190 B191 H191 125.7 .
B195 B191 H191 120.7 .
B192 B191 H191 124.4 .
B196 B192 B197 65.4(9) .
B196 B192 B190 106.9(11) .
B197 B192 B190 107.3(11) .
B196 B192 B193 110.0(11) .
B197 B192 B193 58.0(9) .
B190 B192 B193 60.2(9) .
B196 B192 B191 59.3(8) .
B197 B192 B191 111.5(11) .
B190 B192 B191 58.9(9) .
B193 B192 B191 108.2(11) .
B196 B192 H192 119.9 .
B197 B192 H192 119.6 .
B190 B192 H192 123.3 .
B193 B192 H192 122.0 .
B191 B192 H192 121.3 .
B198 B193 B197 66.7(9) .
B198 B193 B190 106.7(12) .
B197 B193 B190 107.0(13) .
B198 B193 B192 111.2(12) .
B197 B193 B192 58.4(9) .
B190 B193 B192 59.4(9) .
B198 B193 B194 58.7(8) .
B197 B193 B194 111.3(11) .
B190 B193 B194 58.5(9) .
B192 B193 B194 107.2(12) .
B198 B193 H193 119.2 .
B197 B193 H193 119.1 .
B190 B193 H193 124.0 .
B192 B193 H193 122.0 .
B194 B193 H193 122.2 .
C253 B194 B198 65.0(8) .
C253 B194 B190 102.1(12) .
B198 B194 B190 105.4(11) .
C253 B194 B195 57.4(8) .
B198 B194 B195 112.2(12) .
B190 B194 B195 59.4(9) .
C253 B194 B193 105.0(10) .
B198 B194 B193 55.8(8) .
B190 B194 B193 59.8(9) .
B195 B194 B193 108.5(11) .
C253 B194 H194 123.8 .
B198 B194 H194 119.9 .
B190 B194 H194 124.9 .
B195 B194 H194 120.2 .
B193 B194 H194 123.6 .
C253 B195 C254 60.9(8) .
C253 B195 B190 100.4(11) .
C254 B195 B190 100.3(10) .
C253 B195 B194 54.9(8) .
C254 B195 B194 104.1(11) .
B190 B195 B194 59.6(9) .
C253 B195 B191 105.2(10) .
C254 B195 B191 55.5(7) .
B190 B195 B191 60.0(8) .
B194 B195 B191 108.7(11) .
C253 B195 H195 125.2 .
C254 B195 H195 125.4 .
B190 B195 H195 125.9 .
B194 B195 H195 122.7 .
B191 B195 H195 121.9 .
B192 B196 B191 65.2(9) .
B192 B196 C254 103.8(10) .
B191 B196 C254 54.3(7) .
B192 B196 B197 58.3(9) .
B191 B196 B197 110.6(11) .
C254 B196 B197 104.5(10) .
B192 B196 Co11 112.3(11) .
B191 B196 Co11 112.3(9) .
C254 B196 Co11 63.0(6) .
B197 B196 Co11 62.4(7) .
B192 B196 H196 120.8 .
B191 B196 H196 119.4 .
C254 B196 H196 126.8 .
B197 B196 H196 122.4 .
Co11 B196 H196 116.6 .
B193 B197 B192 63.6(9) .
B193 B197 B196 107.4(12) .
B192 B197 B196 56.3(9) .
B193 B197 B198 55.6(8) .
B192 B197 B198 106.7(11) .
B196 B197 B198 108.0(11) .
B193 B197 Co11 111.4(9) .
B192 B197 Co11 112.2(10) .
B196 B197 Co11 64.2(7) .
B198 B197 Co11 63.5(6) .
B193 B197 H197 121.5 .
B192 B197 H197 121.2 .
B196 B197 H197 122.5 .
B198 B197 H197 123.4 .
Co11 B197 H197 116.3 .
B193 B198 B194 65.5(9) .
B193 B198 C253 104.1(12) .
B194 B198 C253 54.0(8) .
B193 B198 B197 57.7(8) .
B194 B198 B197 109.7(12) .
C253 B198 B197 104.0(12) .
B193 B198 Co11 112.2(11) .
B194 B198 Co11 112.0(11) .
C253 B198 Co11 63.1(7) .
B197 B198 Co11 62.2(7) .
B193 B198 H198 120.7 .
B194 B198 H198 119.8 .
C253 B198 H198 126.7 .
B197 B198 H198 123.1 .
Co11 B198 H198 116.7 .
B201 B199 B202 63.6(8) .
B201 B199 B204 114.9(10) .
B202 B199 B204 63.2(8) .
B201 B199 B200 61.8(8) .
B202 B199 B200 114.0(10) .
B204 B199 B200 112.5(10) .
B201 B199 B203 112.9(10) .
B202 B199 B203 113.9(10) .
B204 B199 B203 61.6(8) .
B200 B199 B203 61.4(8) .
B201 B199 H199 117.8 .
B202 B199 H199 117.2 .
B204 B199 H199 118.2 .
B200 B199 H199 119.3 .
B203 B199 H199 119.3 .
C255 B200 B207 62.3(8) .
C255 B200 B199 99.9(11) .
B207 B200 B199 105.2(10) .
C255 B200 B201 58.3(8) .
B207 B200 B201 111.0(11) .
B199 B200 B201 57.2(8) .
C255 B200 B203 104.5(10) .
B207 B200 B203 57.6(8) .
B199 B200 B203 60.3(8) .
B201 B200 B203 108.2(11) .
C255 B200 H200 125.1 .
B207 B200 H200 120.5 .
B199 B200 H200 126.1 .
B201 B200 H200 120.8 .
B203 B200 H200 122.6 .
C256 B201 C255 59.6(7) .
C256 B201 B199 99.9(9) .
C255 B201 B199 100.8(10) .
C256 B201 B200 104.3(9) .
C255 B201 B200 55.6(7) .
B199 B201 B200 61.0(9) .
C256 B201 B202 56.7(7) .
C255 B201 B202 105.1(9) .
B199 B201 B202 58.6(8) .
B200 B201 B202 109.4(10) .
C256 B201 H201 125.7 .
C255 B201 H201 125.4 .
B199 B201 H201 126.0 .
B200 B201 H201 121.7 .
B202 B201 H201 121.8 .
C256 B202 B205 62.6(7) .
C256 B202 B199 99.3(11) .
B205 B202 B199 103.9(11) .
C256 B202 B201 56.6(7) .
B205 B202 B201 109.4(10) .
B199 B202 B201 57.8(8) .
C256 B202 B204 103.9(10) .
B205 B202 B204 56.6(7) .
B199 B202 B204 59.8(8) .
B201 B202 B204 107.5(11) .
C256 B202 H202 125.6 .
B205 B202 H202 121.3 .
B199 B202 H202 126.2 .
B201 B202 H202 121.6 .
B204 B202 H202 123.2 .
B206 B203 B207 66.2(9) .
B206 B203 B199 104.9(12) .
B207 B203 B199 104.2(11) .
B206 B203 B204 58.2(9) .
B207 B203 B204 109.9(12) .
B199 B203 B204 58.1(8) .
B206 B203 B200 111.3(11) .
B207 B203 B200 58.2(8) .
B199 B203 B200 58.4(8) .
B204 B203 B200 107.2(11) .
B206 B203 H203 119.7 .
B207 B203 H203 120.5 .
B199 B203 H203 125.8 .
B204 B203 H203 122.4 .
B200 B203 H203 121.7 .
B205 B204 B206 66.7(9) .
B205 B204 B199 103.0(10) .
B206 B204 B199 105.4(11) .
B205 B204 B202 58.2(7) .
B206 B204 B202 111.9(10) .
B199 B204 B202 57.0(8) .
B205 B204 B203 109.0(11) .
B206 B204 B203 56.7(8) .
B199 B204 B203 60.3(8) .
B202 B204 B203 107.7(10) .
B205 B204 H204 121.1 .
B206 B204 H204 119.5 .
B199 B204 H204 125.8 .
B202 B204 H204 121.7 .
B203 B204 H204 122.2 .
B204 B205 B202 65.2(8) .
B204 B205 C256 105.9(10) .
B202 B205 C256 56.7(7) .
B204 B205 B206 57.6(8) .
B202 B205 B206 110.2(10) .
C256 B205 B206 104.8(10) .
B204 B205 Co12 113.7(10) .
B202 B205 Co12 113.8(9) .
C256 B205 Co12 62.1(6) .
B206 B205 Co12 63.7(6) .
B204 B205 H205 120.2 .
B202 B205 H205 118.6 .
C256 B205 H205 125.8 .
B206 B205 H205 122.8 .
Co12 B205 H205 115.8 .
B203 B206 B204 65.1(9) .
B203 B206 B207 57.6(8) .
B204 B206 B207 108.6(10) .
B203 B206 B205 107.0(10) .
B204 B206 B205 55.7(8) .
B207 B206 B205 105.5(10) .
B203 B206 Co12 111.2(9) .
B204 B206 Co12 110.9(9) .
B207 B206 Co12 61.5(6) .
B205 B206 Co12 62.3(6) .
B203 B206 H206 120.1 .
B204 B206 H206 120.3 .
B207 B206 H206 123.4 .
B205 B206 H206 124.5 .
Co12 B206 H206 118.1 .
B203 B207 B200 64.2(8) .
B203 B207 C255 104.6(11) .
B200 B207 C255 55.6(8) .
B203 B207 B206 56.3(8) .
B200 B207 B206 108.2(11) .
C255 B207 B206 104.9(11) .
B203 B207 Co12 112.7(11) .
B200 B207 Co12 112.4(10) .
C255 B207 Co12 62.2(6) .
B206 B207 Co12 64.5(7) .
B203 B207 H207 121.4 .
B200 B207 H207 120.2 .
C255 B207 H207 125.9 .
B206 B207 H207 123.1 .
Co12 B207 H207 115.8 .
B209 B208 B213 61.0(8) .
B209 B208 B210 60.9(9) .
B213 B208 B210 110.8(11) .
B209 B208 B211 113.0(10) .
B213 B208 B211 113.3(11) .
B210 B208 B211 62.5(8) .
B209 B208 B212 113.2(11) .
B213 B208 B212 63.4(9) .
B210 B208 B212 112.0(11) .
B211 B208 B212 61.3(8) .
B209 B208 H208 119.2 .
B213 B208 H208 119.1 .
B210 B208 H208 120.1 .
B211 B208 H208 118.4 .
B212 B208 H208 118.5 .
C258 B209 C257 62.1(8) .
C258 B209 B208 101.0(11) .
C257 B209 B208 101.0(10) .
C258 B209 B213 106.1(10) .
C257 B209 B213 55.7(7) .
B208 B209 B213 59.9(9) .
C258 B209 B210 55.0(8) .
C257 B209 B210 105.5(11) .
B208 B209 B210 60.2(9) .
B213 B209 B210 109.4(12) .
C258 B209 H209 124.6 .
C257 B209 H209 124.6 .
B208 B209 H209 125.6 .
B213 B209 H209 121.7 .
B210 B209 H209 122.0 .
C258 B210 B214 63.9(9) .
C258 B210 B208 102.2(11) .
B214 B210 B208 105.7(11) .
C258 B210 B209 57.9(8) .
B214 B210 B209 111.6(11) .
B208 B210 B209 58.9(9) .
C258 B210 B211 106.8(10) .
B214 B210 B211 58.1(8) .
B208 B210 B211 59.4(8) .
B209 B210 B211 108.8(11) .
C258 B210 H210 123.4 .
B214 B210 H210 119.9 .
B208 B210 H210 125.4 .
B209 B210 H210 120.6 .
B211 B210 H210 122.3 .
B215 B211 B214 65.5(8) .
B215 B211 B208 105.4(11) .
B214 B211 B208 104.0(11) .
B215 B211 B212 57.6(8) .
B214 B211 B212 109.1(11) .
B208 B211 B212 59.5(8) .
B215 B211 B210 109.6(11) .
B214 B211 B210 57.3(8) .
B208 B211 B210 58.1(8) .
B212 B211 B210 107.0(11) .
B215 B211 H372 120.4 .
B214 B211 H372 121.3 .
B208 B211 H372 124.9 .
B212 B211 H372 122.2 .
B210 B211 H372 122.6 .
B215 B212 B216 66.7(9) .
B215 B212 B208 105.6(10) .
B216 B212 B208 104.2(10) .
B215 B212 B211 58.2(8) .
B216 B212 B211 110.7(10) .
B208 B212 B211 59.1(8) .
B215 B212 B213 110.4(10) .
B216 B212 B213 57.7(8) .
B208 B212 B213 57.3(8) .
B211 B212 B213 106.5(10) .
B215 B212 H369 119.5 .
B216 B212 H369 120.2 .
B208 B212 H369 125.5 .
B211 B212 H369 121.9 .
B213 B212 H369 123.0 .
C257 B213 B216 63.8(8) .
C257 B213 B208 102.1(10) .
B216 B213 B208 105.3(12) .
C257 B213 B209 57.9(7) .
B216 B213 B209 111.5(10) .
B208 B213 B209 59.1(8) .
C257 B213 B212 105.4(11) .
B216 B213 B212 57.1(8) .
B208 B213 B212 59.3(8) .
B209 B213 B212 108.2(11) .
C257 B213 H370 123.8 .
B216 B213 H370 120.2 .
B208 B213 H370 125.2 .
B209 B213 H370 120.5 .
B212 B213 H370 123.3 .
B210 B214 B211 64.5(8) .
B210 B214 C258 54.2(8) .
B211 B214 C258 104.5(10) .
B210 B214 B215 108.7(10) .
B211 B214 B215 57.1(7) .
C258 B214 B215 105.6(10) .
B210 B214 Co12 111.6(11) .
B211 B214 Co12 112.6(9) .
C258 B214 Co12 63.0(6) .
B215 B214 Co12 63.8(6) .
B210 B214 H21A 120.8 .
B211 B214 H21A 121.1 .
C258 B214 H21A 125.9 .
B215 B214 H21A 122.6 .
Co12 B214 H21A 116.1 .
B212 B215 B211 64.2(8) .
B212 B215 B214 108.0(10) .
B211 B215 B214 57.5(7) .
B212 B215 B216 56.9(8) .
B211 B215 B216 107.7(10) .
B214 B215 B216 106.0(10) .
B212 B215 Co12 110.8(10) .
B211 B215 Co12 112.0(9) .
B214 B215 Co12 62.7(6) .
B216 B215 Co12 61.4(6) .
B212 B215 H373 120.6 .
B211 B215 H373 120.1 .
B214 B215 H373 123.1 .
B216 B215 H373 124.0 .
Co12 B215 H373 117.9 .
B212 B216 B213 65.3(8) .
B212 B216 C257 104.6(9) .
B213 B216 C257 54.3(7) .
B212 B216 B215 56.3(8) .
B213 B216 B215 108.2(10) .
C257 B216 B215 104.3(9) .
B212 B216 Co12 112.6(9) .
B213 B216 Co12 111.3(8) .
C257 B216 Co12 62.2(5) .
B215 B216 Co12 64.1(6) .
B212 B216 H371 120.8 .
B213 B216 H371 120.5 .
C257 B216 H371 126.5 .
B215 B216 H371 123.3 .
Co12 B216 H371 116.3 .
C275 C276 H27H 109.5 .
C275 C276 H27I 109.5 .
H27H C276 H27I 109.5 .
C275 C276 H27J 109.5 .
H27H C276 H27J 109.5 .
H27I C276 H27J 109.5 .
O28 C275 C276 133(2) .
O28 C275 H27K 104.0 .
C276 C275 H27K 104.0 .
O28 C275 H27L 104.0 .
C276 C275 H27L 104.0 .
H27K C275 H27L 105.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.250(8) .
Gd1 O2 2.270(8) .
Gd1 O6 2.344(8) .
Gd1 O3 2.350(8) .
Gd1 O4 2.356(7) .
Gd1 N16 2.362(9) .
Gd1 O5 2.420(8) .
Gd1 O7 2.432(9) .
Gd2 O8 2.170(7) .
Gd2 O10 2.185(7) .
Gd2 O11 2.300(6) .
Gd2 O13 2.324(7) .
Gd2 O12 2.383(7) .
Gd2 O9 2.467(8) .
Gd2 N11 2.553(11) .
Gd2 N10 2.564(10) .
Gd3 O18 2.204(6) .
Gd3 O14 2.208(7) .
Gd3 O15 2.296(7) .
Gd3 O16 2.333(7) .
Gd3 O17 2.360(7) .
Gd3 O19 2.467(8) .
Gd3 N32 2.536(9) .
Gd3 N33 2.552(10) .
Co1 C211 1.911(10) .
Co1 C212 1.911(11) .
Co1 C214 1.938(12) .
Co1 B18 1.960(14) .
Co1 C213 1.969(13) .
Co1 B17 1.982(12) .
Co1 B7 1.982(14) .
Co1 B16 1.996(14) .
Co1 B9 2.005(15) .
Co1 B8 2.027(14) .
Co2 C218 1.884(15) .
Co2 C215 1.903(12) .
Co2 C217 1.904(14) .
Co2 B35 1.928(16) .
Co2 B34 1.952(17) .
Co2 C216 1.956(14) .
Co2 B36 1.958(18) .
Co2 B25 1.985(18) .
Co2 B26 2.029(17) .
Co2 B27 2.074(17) .
Co3 C219 1.938(12) .
Co3 C220 1.939(11) .
Co3 C222 1.948(11) .
Co3 B45 1.970(14) .
Co3 B52 1.970(14) .
Co3 C221 1.974(12) .
Co3 B54 1.979(13) .
Co3 B43 1.987(14) .
Co3 B53 1.991(14) .
Co3 B44 2.035(16) .
Co4 C225 1.941(11) .
Co4 C224 1.948(10) .
Co4 C226 1.952(10) .
Co4 C223 1.955(11) .
Co4 B72 1.969(12) .
Co4 B63 1.979(12) .
Co4 B71 1.996(14) .
Co4 B70 1.999(15) .
Co4 B62 2.008(14) .
Co4 B61 2.014(12) .
Co5 C230 1.914(12) .
Co5 C227 1.919(11) .
Co5 C228 1.927(12) .
Co5 C229 1.955(11) .
Co5 B79 1.977(15) .
Co5 B88 1.986(14) .
Co5 B81 1.984(14) .
Co5 B90 1.999(14) .
Co5 B89 2.020(15) .
Co5 B80 2.029(13) .
Co6 C233 1.911(11) .
Co6 C234 1.920(12) .
Co6 C232 1.942(12) .
Co6 C231 1.951(11) .
Co6 B97 1.958(13) .
Co6 B108 1.967(14) .
Co6 B98 1.998(14) .
Co6 B99 2.000(15) .
Co6 B106 2.008(13) .
Co6 B107 2.008(15) .
Co7 C235 1.899(12) .
Co7 C238 1.917(14) .
Co7 C236 1.938(11) .
Co7 B115 1.941(17) .
Co7 C237 1.948(12) .
Co7 B124 1.951(16) .
Co7 B117 2.011(17) .
Co7 B116 2.022(15) .
Co7 B125 2.024(15) .
Co7 B126 2.039(17) .
Co8 C241 1.913(13) .
Co8 C240 1.915(11) .
Co8 C242 1.936(13) .
Co8 C239 1.943(10) .
Co8 B144 1.963(17) .
Co8 B133 1.984(16) .
Co8 B135 2.000(18) .
Co8 B142 2.006(16) .
Co8 B143 2.021(14) .
Co8 B134 2.033(16) .
Co9 C245 1.928(11) .
Co9 C243 1.940(11) .
Co9 C244 1.952(11) .
Co9 C246 1.956(10) .
Co9 B162 1.967(13) .
Co9 B153 1.973(12) .
Co9 B151 2.002(13) .
Co9 B161 2.010(14) .
Co9 B152 2.018(15) .
Co9 B160 2.029(15) .
Co10 C248 1.933(11) .
Co10 C249 1.937(12) .
Co10 C247 1.939(12) .
Co10 C250 1.946(11) .
Co10 B178 1.975(15) .
Co10 B169 1.983(13) .
Co10 B180 1.987(13) .
Co10 B171 1.995(14) .
Co10 B179 2.020(14) .
Co10 B170 2.027(16) .
Co11 C252 1.898(11) .
Co11 C251 1.928(12) .
Co11 B187 1.935(15) .
Co11 C253 1.953(10) .
Co11 C254 1.955(12) .
Co11 B197 1.959(14) .
Co11 B198 1.981(16) .
Co11 B196 1.992(15) .
Co11 B188 2.016(14) .
Co11 B189 2.044(14) .
Co12 C255 1.909(10) .
Co12 C257 1.920(12) .
Co12 C256 1.928(10) .
Co12 C258 1.953(11) .
Co12 B207 1.974(15) .
Co12 B216 1.978(12) .
Co12 B205 2.001(14) .
Co12 B214 2.006(15) .
Co12 B206 2.026(14) .
Co12 B215 2.026(14) .
O20 C260 1.60(2) .
O20 H20A 0.8400 .
O21 C262 1.644(15) .
O21 H21B 0.8400 .
O22 C264 1.390(15) .
O22 H22A 0.8400 .
O23 C266 1.447(11) .
O23 H23A 0.8400 .
O24 C268 1.379(13) .
O24 H24A 0.8400 .
O25 C270 1.380(17) .
O25 H25A 0.8400 .
O26 C272 1.447(12) .
O26 H26A 0.8400 .
O28 C275 1.448(17) .
O28 H28 0.8400 .
O274 C274 1.365(17) .
O274 H27F 0.8400 .
N1 C1 1.301(17) .
N1 C5 1.301(17) .
N2 C6 1.260(16) .
N2 C10 1.329(15) .
N3 C16 1.254(18) .
N3 C20 1.322(18) .
N6 C30 1.287(13) .
N6 C26 1.304(13) .
N6 H6A 0.8800 .
N7 C31 1.327(13) .
N7 C35 1.361(14) .
N8 C36 1.322(12) .
N8 C40 1.337(12) .
N10 C46 1.241(13) .
N10 C50 1.292(13) .
N11 C55 1.266(13) .
N11 C51 1.271(13) .
N12 C56 1.240(15) .
N12 C60 1.292(14) .
N12 H12 0.8800 .
N13 C61 1.261(15) .
N13 C65 1.282(15) .
N14 C66 1.259(16) .
N14 C70 1.277(16) .
N15 C71 1.292(14) .
N15 C75 1.306(15) .
N16 C80 1.280(14) .
N16 C76 1.339(15) .
N17 C81 1.306(15) .
N17 C85 1.309(15) .
N18 C90 1.279(14) .
N18 C86 1.323(14) .
N19 C95 1.295(13) .
N19 C91 1.295(13) .
N20 C96 1.302(14) .
N20 C100 1.304(14) .
N21 C101 1.295(14) .
N21 C105 1.302(15) .
N22 C120 1.283(16) .
N22 C116 1.310(15) .
N23 C125 1.292(13) .
N23 C121 1.333(14) .
N24 C110 1.275(14) .
N24 C106 1.300(14) .
N25 C115 1.298(14) .
N25 C111 1.310(14) .
N26 C126 1.231(16) .
N26 C130 1.281(16) .
N27 C141 1.281(16) .
N27 C145 1.295(16) .
N28 C146 1.264(14) .
N28 C150 1.311(14) .
N29 C131 1.246(14) .
N29 C135 1.273(14) .
N30 C136 1.287(13) .
N30 C140 1.296(13) .
N30 H30A 0.8800 .
N31 C155 1.298(14) .
N31 C151 1.321(15) .
N32 C156 1.259(12) .
N32 C160 1.293(12) .
N33 C161 1.269(13) .
N33 C165 1.281(14) .
N34 C166 1.229(17) .
N34 C170 1.283(14) .
N34 H34 0.8800 .
N35 C175 1.292(14) .
N35 C171 1.314(14) .
N36 C180 1.286(13) .
N36 C176 1.320(14) .
N37 C185 1.271(14) .
N37 C181 1.320(14) .
N38 C190 1.305(14) .
N38 C186 1.341(14) .
N39 C195 1.295(14) .
N39 C191 1.304(14) .
N40 C200 1.279(14) .
N40 C196 1.315(14) .
N41 C201 1.293(14) .
N41 C205 1.301(14) .
N42 C206 1.275(15) .
N42 C210 1.317(15) .
C1 C2 1.221(16) .
C1 H300 0.9500 .
C2 C3 1.340(17) .
C2 H291 0.9500 .
C3 C8 1.342(16) .
C3 C4 1.344(17) .
C4 C5 1.261(16) .
C4 H289 0.9500 .
C5 H328 0.9500 .
C6 C7 1.252(16) .
C6 H292 0.9500 .
C7 C8 1.359(17) .
C7 H290 0.9500 .
C8 C9 1.317(16) .
C9 C10 1.252(15) .
C9 H123 0.9500 .
C10 H118 0.9500 .
N4 C11 1.3900 .
N4 C15 1.3900 .
C11 C12 1.3900 .
C11 H11 0.9500 .
C12 C13 1.3900 .
C12 H398 0.9500 .
C13 C18 1.294(13) .
C13 C14 1.3900 .
C14 C15 1.3900 .
C14 H14 0.9500 .
C15 H384 0.9500 .
C16 C17 1.387(16) .
C16 H269 0.9500 .
C17 C18 1.326(19) .
C17 H270 0.9500 .
C18 C19 1.308(18) .
C19 C20 1.293(17) .
C19 H380 0.9500 .
C20 H381 0.9500 .
N5 C21 1.3900 .
N5 C25 1.3900 .
C21 C22 1.3900 .
C21 H21 0.9500 .
C22 C23 1.3900 .
C22 H22 0.9500 .
C23 C24 1.3900 .
C23 C28 1.515(14) .
C24 C25 1.3900 .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C27 1.369(14) .
C26 H383 0.9500 .
C27 C28 1.362(14) .
C27 H382 0.9500 .
C28 C29 1.331(16) .
C29 C30 1.396(17) .
C29 H385 0.9500 .
C30 H386 0.9500 .
C31 C32 1.402(14) .
C31 H351 0.9500 .
C32 C33 1.369(13) .
C32 H389 0.9500 .
C33 C34 1.343(14) .
C33 C38 1.418(12) .
C34 C35 1.419(15) .
C34 H354 0.9500 .
C35 H353 0.9500 .
C36 C37 1.398(13) .
C36 H388 0.9500 .
C37 C38 1.346(12) .
C37 H346 0.9500 .
C38 C39 1.346(12) .
C39 C40 1.394(13) .
C39 H347 0.9500 .
C40 H348 0.9500 .
N9 C41 1.3900 .
N9 C45 1.3900 .
C41 C42 1.3900 .
C41 H41 0.9500 .
C42 C43 1.3900 .
C42 H42 0.9500 .
C43 C44 1.3900 .
C43 C48 1.477(13) .
C44 C45 1.3900 .
C44 H44 0.9500 .
C45 H45 0.9500 .
C46 C47 1.336(15) .
C46 H46 0.9500 .
C47 C48 1.329(14) .
C47 H47 0.9500 .
C48 C49 1.296(14) .
C49 C50 1.364(16) .
C49 H49 0.9500 .
C50 H50 0.9500 .
C51 C52 1.355(16) .
C51 H51 0.9500 .
C52 C53 1.323(14) .
C52 H52 0.9500 .
C53 C54 1.274(15) .
C53 C58 1.463(16) .
C54 C55 1.376(16) .
C54 H54 0.9500 .
C55 H55 0.9500 .
C56 C57 1.399(18) .
C56 H265 0.9500 .
C57 C58 1.375(16) .
C57 H266 0.9500 .
C58 C59 1.334(16) .
C59 C60 1.364(17) .
C59 H267 0.9500 .
C60 H264 0.9500 .
C61 C62 1.379(18) .
C61 H262 0.9500 .
C62 C63 1.319(15) .
C62 H260 0.9500 .
C63 C64 1.310(15) .
C63 C63 1.42(2) 2_655
C64 C65 1.389(17) .
C64 H263 0.9500 .
C65 H261 0.9500 .
C66 C67 1.270(16) .
C66 H259 0.9500 .
C67 C68 1.349(16) .
C67 H360 0.9500 .
C68 C69 1.326(16) .
C68 C73 1.329(14) .
C69 C70 1.255(16) .
C69 H362 0.9500 .
C70 H363 0.9500 .
C71 C72 1.231(14) .
C71 H359 0.9500 .
C72 C73 1.369(16) .
C72 H361 0.9500 .
C73 C74 1.358(17) .
C74 C75 1.226(15) .
C74 H74 0.9500 .
C75 H75 0.9500 .
C76 C77 1.257(15) .
C76 H76 0.9500 .
C77 C78 1.325(15) .
C77 H77 0.9500 .
C78 C83 1.299(14) .
C78 C79 1.383(16) .
C79 C80 1.244(14) .
C79 H79 0.9500 .
C80 H80 0.9500 .
C81 C82 1.240(14) .
C81 H81 0.9500 .
C82 C83 1.339(16) .
C82 H82 0.9500 .
C83 C84 1.365(16) .
C84 C85 1.252(15) .
C84 H84 0.9500 .
C85 H85 0.9500 .
C86 C87 1.240(14) .
C86 H274 0.9500 .
C87 C88 1.340(15) .
C87 H272 0.9500 .
C88 C93 1.346(13) .
C88 C89 1.354(15) .
C89 C90 1.266(14) .
C89 H89 0.9500 .
C90 H273 0.9500 .
C91 C92 1.258(13) .
C91 H287 0.9500 .
C92 C93 1.341(15) .
C92 H285 0.9500 .
C93 C94 1.378(15) .
C94 C95 1.247(13) .
C94 H286 0.9500 .
C95 H288 0.9500 .
C96 C97 1.245(13) .
C96 H276 0.9500 .
C97 C98 1.364(15) .
C97 H277 0.9500 .
C98 C99 1.341(15) .
C98 C103 1.353(13) .
C99 C100 1.220(14) .
C99 H275 0.9500 .
C100 H282 0.9500 .
C101 C102 1.247(14) .
C101 H279 0.9500 .
C102 C103 1.347(15) .
C102 H280 0.9500 .
C103 C104 1.350(15) .
C104 C105 1.251(15) .
C104 H281 0.9500 .
C105 H278 0.9500 .
C106 C107 1.240(13) .
C106 H284 0.9500 .
C107 C108 1.344(15) .
C107 H283 0.9500 .
C108 C113 1.330(12) .
C108 C109 1.354(15) .
C109 C110 1.237(13) .
C109 H109 0.9500 .
C110 H309 0.9500 .
C111 C112 1.226(13) .
C111 H308 0.9500 .
C112 C113 1.338(14) .
C112 H294 0.9500 .
C113 C114 1.378(15) .
C114 C115 1.238(13) .
C114 H114 0.9500 .
C115 H293 0.9500 .
C116 C117 1.250(14) .
C116 H345 0.9500 .
C117 C118 1.330(15) .
C117 H342 0.9500 .
C118 C123 1.329(13) .
C118 C119 1.378(16) .
C119 C120 1.236(15) .
C119 H344 0.9500 .
C120 H120 0.9500 .
C121 C122 1.232(13) .
C121 H311 0.9500 .
C122 C123 1.344(15) .
C122 H122 0.9500 .
C123 C124 1.350(15) .
C124 C125 1.240(13) .
C124 H310 0.9500 .
C125 H343 0.9500 .
C126 C127 1.363(19) .
C126 C130 2.03(2) .
C126 H126 0.9500 .
C127 C128 1.302(17) .
C127 H377 0.9500 .
C128 C129 1.277(16) .
C128 C128 1.48(2) 2_765
C129 C130 1.379(19) .
C129 H391 0.9500 .
C130 H390 0.9500 .
C131 C132 1.376(16) .
C131 H131 0.9500 .
C132 C133 1.315(14) .
C132 H327 0.9500 .
C133 C134 1.262(15) .
C133 C138 1.463(16) .
C134 C135 1.378(17) .
C134 H324 0.9500 .
C135 H325 0.9500 .
C136 C137 1.350(15) .
C136 H214 0.9500 .
C137 C138 1.365(14) .
C137 H322 0.9500 .
C138 C139 1.334(15) .
C139 C140 1.360(16) .
C139 H323 0.9500 .
C140 H326 0.9500 .
C141 C142 1.373(19) .
C141 H374 0.9500 .
C142 C143 1.362(17) .
C142 H379 0.9500 .
C143 C144 1.326(16) .
C143 C148 1.472(16) .
C144 C145 1.392(18) .
C144 H144 0.9500 .
C145 H299 0.9500 .
C146 C147 1.345(16) .
C146 H297 0.9500 .
C147 C148 1.331(15) .
C147 H296 0.9500 .
C148 C149 1.314(15) .
C149 C150 1.354(16) .
C149 H298 0.9500 .
C150 H295 0.9500 .
C151 C152 1.376(16) .
C151 H151 0.9500 .
C152 C153 1.366(14) .
C152 H152 0.9500 .
C153 C154 1.336(15) .
C153 C158 1.479(15) .
C154 C155 1.365(17) .
C154 H154 0.9500 .
C155 H155 0.9500 .
C156 C157 1.328(15) .
C156 H156 0.9500 .
C157 C158 1.347(14) .
C157 H157 0.9500 .
C158 C159 1.279(14) .
C159 C160 1.371(15) .
C159 H159 0.9500 .
C160 H160 0.9500 .
C161 C162 1.347(15) .
C161 H161 0.9500 .
C162 C163 1.323(14) .
C162 H162 0.9500 .
C163 C164 1.278(15) .
C163 C168 1.438(16) .
C164 C165 1.340(16) .
C164 H164 0.9500 .
C165 H165 0.9500 .
C166 C167 1.40(2) .
C166 H166 0.9500 .
C167 C168 1.299(16) .
C167 H167 0.9500 .
C168 C169 1.315(15) .
C169 C170 1.360(16) .
C169 H169 0.9500 .
C170 H170 0.9500 .
C171 C172 1.223(14) .
C171 H306 0.9500 .
C172 C173 1.333(15) .
C172 H301 0.9500 .
C173 C178 1.339(13) .
C173 C174 1.389(16) .
C174 C175 1.243(14) .
C174 H305 0.9500 .
C175 H175 0.9500 .
C176 C177 1.233(13) .
C176 H307 0.9500 .
C177 C178 1.317(14) .
C177 H302 0.9500 .
C178 C179 1.360(15) .
C179 C180 1.236(13) .
C179 H303 0.9500 .
C180 H304 0.9500 .
C181 C182 1.238(14) .
C181 H339 0.9500 .
C182 C183 1.352(15) .
C182 H336 0.9500 .
C183 C188 1.346(13) .
C183 C184 1.356(15) .
C184 C185 1.249(14) .
C184 H340 0.9500 .
C185 H338 0.9500 .
C186 C187 1.236(13) .
C186 H335 0.9500 .
C187 C188 1.342(15) .
C187 H187 0.9500 .
C188 C189 1.377(15) .
C189 C190 1.206(13) .
C189 H341 0.9500 .
C190 H337 0.9500 .
C191 C192 1.212(14) .
C191 H334 0.9500 .
C192 C193 1.363(16) .
C192 H332 0.9500 .
C193 C198 1.336(13) .
C193 C194 1.353(15) .
C194 C195 1.228(14) .
C194 H329 0.9500 .
C195 H331 0.9500 .
C196 C197 1.229(13) .
C196 H330 0.9500 .
C197 C198 1.340(15) .
C197 H333 0.9500 .
C198 C199 1.377(15) .
C199 C200 1.231(13) .
C199 H313 0.9500 .
C200 H312 0.9500 .
C201 C202 1.254(14) .
C201 H315 0.9500 .
C202 C203 1.344(15) .
C202 H314 0.9500 .
C203 C208 1.333(13) .
C203 C204 1.344(15) .
C204 C205 1.228(14) .
C204 H317 0.9500 .
C205 H318 0.9500 .
C206 C207 1.257(14) .
C206 H321 0.9500 .
C207 C208 1.351(15) .
C207 H319 0.9500 .
C208 C209 1.356(15) .
C209 C210 1.263(15) .
C209 H320 0.9500 .
C210 H316 0.9500 .
C211 B2 1.567(15) .
C211 B3 1.568(14) .
C211 C212 1.601(16) .
C211 B9 1.710(15) .
C211 H211 1.1200 .
C212 B4 1.556(15) .
C212 B3 1.578(13) .
C212 B7 1.706(12) .
C212 H212 1.1200 .
C213 C214 1.619(18) .
C213 B13 1.622(13) .
C213 B14 1.639(14) .
C213 B16 1.790(13) .
C213 H213 1.1200 .
C214 B14 1.548(14) .
C214 B15 1.623(14) .
C214 B18 1.666(14) .
C215 B20 1.568(16) .
C215 B21 1.578(16) .
C215 C216 1.605(19) .
C215 B25 1.641(18) .
C215 H215 1.1200 .
C216 B21 1.603(16) .
C216 B22 1.605(17) .
C216 B27 1.753(16) .
C216 H216 1.1200 .
C217 B33 1.561(16) .
C217 B31 1.569(16) .
C217 C218 1.600(19) .
C217 B35 1.716(18) .
C217 H217 1.1200 .
C218 B32 1.534(18) .
C218 B33 1.566(17) .
C218 B34 1.639(19) .
C218 H218 1.1200 .
C219 B42 1.575(14) .
C219 B41 1.580(14) .
C219 C220 1.636(15) .
C219 B43 1.759(15) .
C219 H219 1.1200 .
C220 B38 1.540(14) .
C220 B42 1.595(15) .
C220 B45 1.668(16) .
C220 H220 1.1200 .
C221 B48 1.548(13) .
C221 B49 1.595(14) .
C221 C222 1.613(17) .
C221 B54 1.738(13) .
C221 H221 1.1200 .
C222 B50 1.548(14) .
C222 B49 1.562(14) .
C222 B52 1.696(15) .
C222 H222 1.1200 .
C223 B58 1.558(13) .
C223 B59 1.577(13) .
C223 C224 1.644(14) .
C223 B61 1.718(15) .
C223 H223 1.1200 .
C224 B57 1.561(13) .
C224 B59 1.639(14) .
C224 B63 1.707(15) .
C224 H224 1.1200 .
C225 B66 1.565(13) .
C225 C226 1.620(15) .
C225 B67 1.638(14) .
C225 B72 1.696(13) .
C225 H225 1.1200 .
C226 B68 1.571(15) .
C226 B67 1.598(14) .
C226 B70 1.704(16) .
C226 H226 1.1200 .
C227 B77 1.585(15) .
C227 B78 1.582(14) .
C227 C228 1.607(17) .
C227 B79 1.734(15) .
C227 H227 1.1200 .
C228 B77 1.579(14) .
C228 B76 1.586(14) .
C228 B81 1.677(14) .
C228 H228 1.1200 .
C229 B84 1.578(15) .
C229 B83 1.591(14) .
C229 C230 1.613(16) .
C229 B90 1.728(16) .
C229 H229 1.1200 .
C230 B86 1.568(17) .
C230 B83 1.609(16) .
C230 B88 1.721(18) .
C230 H230 1.1200 .
C231 B95 1.557(18) .
C231 B94 1.583(18) .
C231 C232 1.608(17) .
C231 B99 1.70(2) .
C231 H231 1.1200 .
C232 B93 1.551(17) .
C232 B94 1.617(18) .
C232 B97 1.695(17) .
C232 H232 1.1200 .
C233 B101 1.567(17) .
C233 B105 1.594(19) .
C233 C234 1.619(15) .
C233 B108 1.67(2) .
C233 H233 1.1200 .
C234 B104 1.586(17) .
C234 B105 1.591(17) .
C234 B106 1.73(2) .
C234 H234 1.1200 .
C235 B114 1.58(2) .
C235 C236 1.600(17) .
C235 B110 1.62(2) .
C235 B115 1.73(2) .
C235 H235 1.1200 .
C236 B110 1.550(18) .
C236 B111 1.600(18) .
C236 B117 1.695(18) .
C236 H236 1.1200 .
C237 B122 1.56(2) .
C237 B121 1.58(2) .
C237 C238 1.607(19) .
C237 B126 1.69(2) .
C237 H237 1.1200 .
C238 B123 1.57(2) .
C238 B122 1.60(2) .
C238 B124 1.70(2) .
C238 H238 1.1200 .
C239 B129 1.558(18) .
C239 B130 1.58(2) .
C239 C240 1.621(17) .
C239 B135 1.68(2) .
C239 H239 1.1200 .
C240 B128 1.589(19) .
C240 B129 1.604(17) .
C240 B133 1.717(18) .
C240 H240 1.1200 .
C241 B139 1.58(2) .
C241 C242 1.605(18) .
C241 B138 1.61(2) .
C241 B144 1.72(2) .
C241 H241 1.1200 .
C242 B137 1.58(2) .
C242 B138 1.59(2) .
C242 B142 1.73(2) .
C243 B149 1.584(16) .
C243 B148 1.612(16) .
C243 C244 1.632(14) .
C243 B151 1.705(19) .
C243 H243 1.1200 .
C244 B147 1.566(16) .
C244 B149 1.626(17) .
C244 B153 1.679(18) .
C244 H244 1.1200 .
C245 B159 1.547(16) .
C245 C246 1.612(15) .
C245 B157 1.620(17) .
C245 B162 1.710(17) .
C245 H245 1.1200 .
C246 B157 1.558(17) .
C246 B155 1.581(17) .
C246 B160 1.75(2) .
C246 H246 1.1200 .
C247 B168 1.580(17) .
C247 B167 1.597(16) .
C247 C248 1.619(15) .
C247 B169 1.721(19) .
C247 H247 1.1200 .
C248 B165 1.541(17) .
C248 B167 1.613(18) .
C248 B171 1.67(2) .
C248 H248 1.1200 .
C249 B177 1.552(16) .
C249 C250 1.589(16) .
C249 B175 1.588(18) .
C249 B180 1.708(17) .
C249 H249 1.1200 .
C250 B175 1.533(17) .
C250 B173 1.570(18) .
C250 B178 1.74(2) .
C250 H250 1.1200 .
C251 B182 1.567(18) .
C251 C252 1.597(17) .
C251 B186 1.646(18) .
C251 B189 1.754(17) .
C251 H251 1.1200 .
C252 B183 1.561(19) .
C252 B182 1.602(18) .
C252 B187 1.629(19) .
C252 H252 1.1200 .
C253 B194 1.543(17) .
C253 B195 1.588(18) .
C253 C254 1.612(17) .
C253 B198 1.73(2) .
C253 H253 1.1200 .
C254 B191 1.561(17) .
C254 B195 1.592(17) .
C254 B196 1.725(17) .
C254 H254 1.1200 .
C255 B200 1.577(17) .
C255 C256 1.605(16) .
C255 B201 1.626(17) .
C255 B207 1.692(18) .
C255 H255 1.1200 .
C256 B201 1.602(15) .
C256 B202 1.604(16) .
C256 B205 1.705(16) .
C256 H256 1.1200 .
C257 B213 1.551(16) .
C257 B209 1.592(17) .
C257 C258 1.637(16) .
C257 B216 1.713(17) .
C257 H257 1.1200 .
C258 B210 1.531(18) .
C258 B209 1.584(17) .
C258 B214 1.695(19) .
C258 H258 1.1200 .
C259 C260 1.20(3) .
C259 H395 0.9800 .
C259 H25B 0.9800 .
C259 H25C 0.9800 .
C260 H26O 0.9900 .
C260 H26P 0.9900 .
C261 C262 1.34(2) .
C261 H26D 0.9800 .
C261 H26E 0.9800 .
C261 H26F 0.9800 .
C262 H26Q 0.9900 .
C262 H26R 0.9900 .
C263 C264 1.330(18) .
C263 H349 0.9800 .
C263 H350 0.9800 .
C263 H26I 0.9800 .
C264 H26G 0.9900 .
C264 H26H 0.9900 .
C265 C266 1.467(17) .
C265 H375 0.9800 .
C265 H376 0.9800 .
C265 H26C 0.9800 .
C266 H394 0.9900 .
C266 H26B 0.9900 .
C267 C268 1.335(17) .
C267 H26J 0.9800 .
C267 H26K 0.9800 .
C267 H26L 0.9800 .
C268 H26M 0.9900 .
C268 H26N 0.9900 .
C269 C270 1.419(18) .
C269 H356 0.9800 .
C269 H365 0.9800 .
C269 H366 0.9800 .
C270 H27D 0.9900 .
C270 H27E 0.9900 .
C271 C272 1.448(17) .
C271 H378 0.9800 .
C271 H143 0.9800 .
C271 H27C 0.9800 .
C272 H27A 0.9900 .
C272 H27B 0.9900 .
C273 C274 1.30(2) .
C273 H367 0.9800 .
C273 H368 0.9800 .
C273 H268 0.9800 .
C274 H396 0.9900 .
C274 H27G 0.9900 .
B1 B6 1.70(2) .
B1 B4 1.71(2) .
B1 B5 1.717(18) .
B1 B2 1.72(2) .
B1 B3 1.735(19) .
B1 H1 1.1200 .
B2 B9 1.678(18) .
B2 B3 1.71(2) .
B2 B6 1.774(19) .
B2 H2 1.1200 .
B3 B4 1.76(2) .
B3 H3 1.1200 .
B4 B7 1.656(18) .
B4 B5 1.79(2) .
B4 H4 1.1200 .
B5 B8 1.63(2) .
B5 B7 1.630(19) .
B5 B6 1.78(2) .
B5 H5 1.1200 .
B6 B9 1.684(19) .
B6 B8 1.69(2) .
B6 H6 1.1200 .
B7 B8 1.77(2) .
B7 H7 1.1200 .
B8 B9 1.84(2) .
B8 H8 1.1200 .
B9 H393 1.1200 .
B10 B15 1.69(2) .
B10 B14 1.693(18) .
B10 B11 1.71(2) .
B10 B12 1.726(19) .
B10 B13 1.75(2) .
B10 H10 1.1200 .
B11 B18 1.610(17) .
B11 B17 1.68(2) .
B11 B12 1.78(2) .
B11 B15 1.786(19) .
B11 H9 1.1200 .
B12 B17 1.614(19) .
B12 B16 1.676(19) .
B12 B13 1.78(2) .
B12 H397 1.1200 .
B13 B16 1.665(18) .
B13 B14 1.78(2) .
B13 H13 1.1200 .
B14 B15 1.73(2) .
B14 H88 1.1200 .
B15 B18 1.652(18) .
B15 H242 1.1200 .
B16 B17 1.78(2) .
B16 H16 1.1200 .
B17 B18 1.762(19) .
B17 H17 1.1200 .
B18 H18 1.1200 .
B19 B22 1.63(3) .
B19 B23 1.66(2) .
B19 B21 1.70(2) .
B19 B20 1.71(2) .
B19 B24 1.75(2) .
B19 H19 1.1200 .
B20 B25 1.65(2) .
B20 B21 1.67(2) .
B20 B24 1.76(2) .
B20 H20 1.1200 .
B21 B22 1.76(2) .
B21 H271 1.1200 .
B22 B27 1.63(2) .
B22 B23 1.77(2) .
B22 H352 1.1200 .
B23 B27 1.63(2) .
B23 B26 1.65(2) .
B23 B24 1.75(3) .
B23 H23 1.1200 .
B24 B25 1.62(2) .
B24 B26 1.68(2) .
B24 H355 1.1200 .
B25 B26 1.78(2) .
B25 H357 1.1200 .
B26 B27 1.80(3) .
B26 H26 1.1200 .
B27 H27 1.1200 .
B28 B33 1.71(3) .
B28 B30 1.72(3) .
B28 B32 1.72(2) .
B28 B29 1.72(2) .
B28 B31 1.75(3) .
B28 H387 1.1200 .
B29 B35 1.64(2) .
B29 B36 1.67(2) .
B29 B31 1.69(3) .
B29 B30 1.80(3) .
B29 H29 1.1200 .
B30 B34 1.65(2) .
B30 B36 1.71(2) .
B30 B32 1.78(3) .
B30 H30 1.1200 .
B31 B35 1.64(2) .
B31 B33 1.72(2) .
B31 H31 1.1200 .
B32 B34 1.66(2) .
B32 B33 1.74(3) .
B32 H32 1.1200 .
B33 H33 1.1200 .
B34 B36 1.87(2) .
B34 H392 1.1200 .
B35 B36 1.74(3) .
B35 H35 1.1200 .
B36 H36 1.1200 .
B37 B41 1.71(2) .
B37 B40 1.72(2) .
B37 B42 1.74(2) .
B37 B39 1.74(2) .
B37 B38 1.748(19) .
B37 H37 1.1200 .
B38 B45 1.643(19) .
B38 B39 1.76(2) .
B38 B42 1.77(2) .
B38 H38 1.1200 .
B39 B44 1.636(19) .
B39 B45 1.65(2) .
B39 B40 1.76(2) .
B39 H39 1.1200 .
B40 B43 1.59(2) .
B40 B44 1.67(2) .
B40 B41 1.74(2) .
B40 H40 1.1200 .
B41 B43 1.68(2) .
B41 B42 1.771(19) .
B41 H358 1.1200 .
B42 H364 1.1200 .
B43 B44 1.79(2) .
B43 H43 1.1200 .
B44 B45 1.833(19) .
B44 H44A 1.1200 .
B45 H45A 1.1200 .
B46 B50 1.68(2) .
B46 B49 1.69(2) .
B46 B51 1.73(2) .
B46 B48 1.73(2) .
B46 B47 1.740(19) .
B46 H46A 1.1200 .
B47 B54 1.632(19) .
B47 B53 1.66(2) .
B47 B51 1.78(2) .
B47 B48 1.79(2) .
B47 H47A 1.1200 .
B48 B54 1.692(19) .
B48 B49 1.770(19) .
B48 H48 1.1200 .
B49 B50 1.70(2) .
B49 H49A 1.1200 .
B50 B52 1.651(19) .
B50 B51 1.778(19) .
B50 H50A 1.1200 .
B51 B52 1.659(18) .
B51 B53 1.68(2) .
B51 H51A 1.1200 .
B52 B53 1.785(19) .
B52 H52A 1.1200 .
B53 B54 1.79(2) .
B53 H53 1.1200 .
B54 H54A 1.1200 .
B55 B58 1.694(18) .
B55 B59 1.72(2) .
B55 B60 1.73(2) .
B55 B57 1.750(18) .
B55 B56 1.76(2) .
B55 H55A 1.1200 .
B56 B63 1.646(18) .
B56 B62 1.667(18) .
B56 B57 1.78(2) .
B56 B60 1.791(18) .
B56 H56 1.1200 .
B57 B63 1.666(19) .
B57 B59 1.784(19) .
B57 H57 1.1200 .
B58 B61 1.655(19) .
B58 B59 1.746(19) .
B58 B60 1.76(2) .
B58 H58 1.1200 .
B59 H59 1.1200 .
B60 B61 1.601(18) .
B60 B62 1.680(19) .
B60 H60 1.1200 .
B61 B62 1.808(19) .
B61 H61 1.1200 .
B62 B63 1.811(19) .
B62 H62 1.1200 .
B63 H63 1.1200 .
B64 B67 1.70(2) .
B64 B68 1.716(19) .
B64 B66 1.73(2) .
B64 B69 1.74(2) .
B64 B65 1.769(19) .
B64 H64 1.1200 .
B65 B71 1.631(19) .
B65 B72 1.629(19) .
B65 B66 1.74(2) .
B65 B69 1.80(2) .
B65 H65 1.1200 .
B66 B72 1.674(19) .
B66 B67 1.780(19) .
B66 H66 1.1200 .
B67 B68 1.75(2) .
B67 H67 1.1200 .
B68 B70 1.669(19) .
B68 B69 1.80(2) .
B68 H68 1.1200 .
B69 B70 1.649(18) .
B69 B71 1.69(2) .
B69 H69 1.1200 .
B70 B71 1.813(18) .
B70 H70 1.1200 .
B71 B72 1.76(2) .
B71 H71 1.1200 .
B72 H72 1.1200 .
B73 B76 1.68(2) .
B73 B75 1.70(2) .
B73 B77 1.709(19) .
B73 B78 1.73(2) .
B73 B74 1.74(2) .
B73 H73 1.1200 .
B74 B80 1.64(2) .
B74 B79 1.665(18) .
B74 B75 1.77(2) .
B74 B78 1.770(19) .
B74 H74A 1.1200 .
B75 B80 1.661(19) .
B75 B81 1.667(19) .
B75 B76 1.75(2) .
B75 H75A 1.1200 .
B76 B81 1.636(19) .
B76 B77 1.78(2) .
B76 H76A 1.1200 .
B77 B78 1.75(2) .
B77 H77A 1.1200 .
B78 B79 1.680(19) .
B78 H78 1.1200 .
B79 B80 1.80(2) .
B79 H79A 1.1200 .
B80 B81 1.80(2) .
B80 H80A 1.1200 .
B81 H81A 1.1200 .
B82 B83 1.69(2) .
B82 B84 1.72(2) .
B82 B86 1.72(2) .
B82 B85 1.76(2) .
B82 B87 1.766(19) .
B82 H82A 1.1200 .
B83 B84 1.75(2) .
B83 B86 1.757(19) .
B83 H83 1.1200 .
B84 B90 1.674(19) .
B84 B85 1.78(2) .
B84 H84A 1.1200 .
B85 B90 1.64(2) .
B85 B89 1.687(19) .
B85 B87 1.79(2) .
B85 H85A 1.1200 .
B86 B88 1.68(2) .
B86 B87 1.76(2) .
B86 H86 1.1200 .
B87 B88 1.62(2) .
B87 B89 1.64(2) .
B87 H87 1.1200 .
B88 B89 1.80(2) .
B88 H88A 1.1200 .
B89 B90 1.825(19) .
B89 H89A 1.1200 .
B90 H90 1.1200 .
B91 B95 1.70(2) .
B91 B94 1.70(2) .
B91 B92 1.733(19) .
B91 B96 1.74(2) .
B91 B93 1.74(2) .
B91 H91 1.1200 .
B92 B98 1.62(2) .
B92 B97 1.63(2) .
B92 B93 1.80(2) .
B92 B96 1.81(2) .
B92 H92 1.1200 .
B93 B97 1.666(19) .
B93 B94 1.76(2) .
B93 H93 1.1200 .
B94 B95 1.72(2) .
B94 H94 1.1200 .
B95 B99 1.651(19) .
B95 B96 1.77(2) .
B95 H95 1.1200 .
B96 B99 1.640(18) .
B96 B98 1.70(2) .
B96 H96 1.1200 .
B97 B98 1.76(2) .
B97 H97 1.1200 .
B98 B99 1.838(19) .
B98 H98 1.1200 .
B99 H99 1.1200 .
B100 B104 1.68(2) .
B100 B103 1.687(19) .
B100 B102 1.70(2) .
B100 B101 1.736(19) .
B100 B105 1.74(2) .
B100 H100 1.1200 .
B101 B108 1.670(19) .
B101 B105 1.76(2) .
B101 B102 1.76(2) .
B101 H101 1.1200 .
B102 B108 1.626(19) .
B102 B107 1.643(18) .
B102 B103 1.781(19) .
B102 H102 1.1200 .
B103 B106 1.596(19) .
B103 B107 1.692(19) .
B103 B104 1.72(2) .
B103 H103 1.1200 .
B104 B106 1.656(19) .
B104 B105 1.76(2) .
B104 H104 1.1200 .
B105 H105 1.1200 .
B106 B107 1.79(2) .
B106 H106 1.1200 .
B107 B108 1.78(2) .
B107 H107 1.1200 .
B108 H108 1.1200 .
B109 B111 1.68(2) .
B109 B113 1.68(3) .
B109 B112 1.70(2) .
B109 B114 1.75(3) .
B109 B110 1.75(2) .
B109 H10A 1.1200 .
B110 B111 1.75(2) .
B110 B114 1.77(3) .
B110 H110 1.1200 .
B111 B117 1.675(19) .
B111 B112 1.73(2) .
B111 H111 1.1200 .
B112 B117 1.62(2) .
B112 B116 1.70(2) .
B112 B113 1.72(3) .
B112 H112 1.1200 .
B113 B116 1.59(2) .
B113 B115 1.75(2) .
B113 B114 1.80(3) .
B113 H113 1.1200 .
B114 B115 1.65(2) .
B114 H11B 1.1200 .
B115 B116 1.80(2) .
B115 H115 1.1200 .
B116 B117 1.80(2) .
B116 H116 1.1200 .
B117 H117 1.1200 .
B118 B123 1.67(3) .
B118 B121 1.68(2) .
B118 B120 1.69(3) .
B118 B122 1.70(2) .
B118 B119 1.71(2) .
B118 H11A 1.1200 .
B119 B124 1.65(2) .
B119 B125 1.65(2) .
B119 B123 1.75(3) .
B119 B120 1.77(3) .
B119 H119 1.1200 .
B120 B126 1.65(2) .
B120 B125 1.66(2) .
B120 B121 1.78(2) .
B120 H12A 1.1200 .
B121 B126 1.65(2) .
B121 B122 1.69(3) .
B121 H121 1.1200 .
B122 B123 1.74(2) .
B122 H12C 1.1200 .
B123 B124 1.67(2) .
B123 H12D 1.1200 .
B124 B125 1.79(2) .
B124 H124 1.1200 .
B125 B126 1.81(2) .
B125 H125 1.1200 .
B126 H12B 1.1200 .
B127 B130 1.66(2) .
B127 B131 1.70(3) .
B127 B129 1.72(2) .
B127 B132 1.72(2) .
B127 B128 1.75(3) .
B127 H127 1.1200 .
B128 B133 1.67(2) .
B128 B129 1.78(2) .
B128 B132 1.82(2) .
B128 H128 1.1200 .
B129 B130 1.74(2) .
B129 H129 1.1200 .
B130 B135 1.65(2) .
B130 B131 1.77(2) .
B130 H130 1.1200 .
B131 B135 1.67(2) .
B131 B134 1.72(2) .
B131 B132 1.75(3) .
B131 H13A 1.1200 .
B132 B134 1.64(2) .
B132 B133 1.67(2) .
B132 H132 1.1200 .
B133 B134 1.82(2) .
B133 H133 1.1200 .
B134 B135 1.81(2) .
B134 H134 1.1200 .
B135 H135 1.1200 .
B136 B138 1.70(2) .
B136 B139 1.70(3) .
B136 B141 1.71(3) .
B136 B140 1.71(3) .
B136 B137 1.74(3) .
B136 H136 1.1200 .
B137 B142 1.71(2) .
B137 B138 1.74(3) .
B137 B141 1.76(2) .
B137 H137 1.1200 .
B138 B139 1.76(2) .
B138 H138 1.1200 .
B139 B144 1.67(2) .
B139 B140 1.78(2) .
B139 H139 1.1200 .
B140 B144 1.65(2) .
B140 B143 1.65(2) .
B140 B141 1.75(3) .
B140 H140 1.1200 .
B141 B142 1.69(2) .
B141 B143 1.73(2) .
B141 H141 1.1200 .
B142 B143 1.86(2) .
B142 H142 1.1200 .
B143 B144 1.80(2) .
B143 H14B 1.1200 .
B144 H14A 1.1200 .
B145 B148 1.717(18) .
B145 B150 1.73(2) .
B145 B149 1.75(2) .
B145 B147 1.751(19) .
B145 B146 1.78(2) .
B145 H145 1.1200 .
B146 B152 1.660(18) .
B146 B153 1.673(19) .
B146 B147 1.80(2) .
B146 B150 1.794(18) .
B146 H146 1.1200 .
B147 B153 1.658(19) .
B147 B149 1.78(2) .
B147 H147 1.1200 .
B148 B151 1.657(19) .
B148 B150 1.77(2) .
B148 B149 1.802(19) .
B148 H148 1.1200 .
B149 H149 1.1200 .
B150 B151 1.638(18) .
B150 B152 1.680(18) .
B150 H150 1.1200 .
B151 B152 1.823(19) .
B151 H15F 1.1200 .
B152 B153 1.825(19) .
B152 H15A 1.1200 .
B153 H153 1.1200 .
B154 B159 1.71(2) .
B154 B156 1.73(2) .
B154 B155 1.726(18) .
B154 B158 1.726(18) .
B154 B157 1.73(2) .
B154 H15C 1.1200 .
B155 B160 1.670(19) .
B155 B157 1.74(2) .
B155 B156 1.783(19) .
B155 H15D 1.1200 .
B156 B160 1.632(17) .
B156 B161 1.677(18) .
B156 B158 1.774(19) .
B156 H15B 1.1200 .
B157 B159 1.746(19) .
B157 H15G 1.1200 .
B158 B162 1.622(19) .
B158 B161 1.643(18) .
B158 B159 1.76(2) .
B158 H158 1.1200 .
B159 B162 1.689(19) .
B159 H15E 1.1200 .
B160 B161 1.830(18) .
B160 H16A 1.1200 .
B161 B162 1.76(2) .
B161 H16C 1.1200 .
B162 H16B 1.1200 .
B163 B165 1.725(18) .
B163 B167 1.74(2) .
B163 B164 1.74(2) .
B163 B166 1.74(2) .
B163 B168 1.755(19) .
B163 H163 1.1200 .
B164 B170 1.663(19) .
B164 B171 1.67(2) .
B164 B166 1.78(2) .
B164 B165 1.80(2) .
B164 H16F 1.1200 .
B165 B171 1.66(2) .
B165 B167 1.75(2) .
B165 H16H 1.1200 .
B166 B169 1.649(19) .
B166 B170 1.71(2) .
B166 B168 1.78(2) .
B166 H16D 1.1200 .
B167 B168 1.781(19) .
B167 H16G 1.1200 .
B168 B169 1.70(2) .
B168 H168 1.1200 .
B169 B170 1.85(2) .
B169 H16E 1.1200 .
B170 B171 1.82(2) .
B170 H17A 1.1200 .
B171 H171 1.1200 .
B172 B173 1.710(18) .
B172 B175 1.719(19) .
B172 B174 1.72(2) .
B172 B176 1.720(18) .
B172 B177 1.74(2) .
B172 H172 1.1200 .
B173 B178 1.672(19) .
B173 B175 1.70(2) .
B173 B174 1.76(2) .
B173 H173 1.1200 .
B174 B178 1.644(18) .
B174 B179 1.67(2) .
B174 B176 1.79(2) .
B174 H174 1.1200 .
B175 B177 1.777(18) .
B175 H17B 1.1200 .
B176 B180 1.632(19) .
B176 B179 1.659(19) .
B176 B177 1.77(2) .
B176 H176 1.1200 .
B177 B180 1.658(18) .
B177 H177 1.1200 .
B178 B179 1.807(19) .
B178 H178 1.1200 .
B179 B180 1.78(2) .
B179 H179 1.1200 .
B180 H180 1.1200 .
B181 B185 1.710(19) .
B181 B182 1.742(19) .
B181 B186 1.74(2) .
B181 B184 1.76(2) .
B181 B183 1.77(2) .
B181 H181 1.1200 .
B182 B183 1.77(2) .
B182 B186 1.80(2) .
B182 H182 1.1200 .
B183 B187 1.59(2) .
B183 B184 1.77(2) .
B183 H183 1.1200 .
B184 B187 1.63(2) .
B184 B188 1.65(2) .
B184 B185 1.77(2) .
B184 H184 1.1200 .
B185 B188 1.64(2) .
B185 B189 1.656(18) .
B185 B186 1.80(2) .
B185 H185 1.1200 .
B186 B189 1.655(17) .
B186 H186 1.1200 .
B187 B188 1.76(2) .
B187 H18A 1.1200 .
B188 B189 1.81(2) .
B188 H188 1.1200 .
B189 H189 1.1200 .
B190 B195 1.717(19) .
B190 B194 1.72(2) .
B190 B192 1.73(2) .
B190 B191 1.73(2) .
B190 B193 1.75(2) .
B190 H190 1.1200 .
B191 B196 1.70(2) .
B191 B195 1.75(2) .
B191 B192 1.79(2) .
B191 H191 1.1200 .
B192 B196 1.63(2) .
B192 B197 1.66(2) .
B192 B193 1.75(2) .
B192 H192 1.1200 .
B193 B198 1.62(2) .
B193 B197 1.66(2) .
B193 B194 1.78(2) .
B193 H193 1.1200 .
B194 B198 1.67(2) .
B194 B195 1.74(2) .
B194 H194 1.1200 .
B195 H195 1.1200 .
B196 B197 1.78(2) .
B196 H196 1.1200 .
B197 B198 1.80(2) .
B197 H197 1.1200 .
B198 H198 1.1200 .
B199 B201 1.666(18) .
B199 B202 1.68(2) .
B199 B204 1.730(18) .
B199 B200 1.73(2) .
B199 B203 1.77(2) .
B199 H199 1.1200 .
B200 B207 1.688(18) .
B200 B201 1.75(2) .
B200 B203 1.788(19) .
B200 H200 1.1200 .
B201 B202 1.763(19) .
B201 H201 1.1200 .
B202 B205 1.674(17) .
B202 B204 1.788(19) .
B202 H202 1.1200 .
B203 B206 1.651(19) .
B203 B207 1.68(2) .
B203 B204 1.79(2) .
B203 H203 1.1200 .
B204 B205 1.644(19) .
B204 B206 1.68(2) .
B204 H204 1.1200 .
B205 B206 1.83(2) .
B205 H205 1.1200 .
B206 B207 1.82(2) .
B206 H206 1.1200 .
B207 H207 1.1200 .
B208 B209 1.69(2) .
B208 B213 1.70(2) .
B208 B210 1.711(19) .
B208 B211 1.73(2) .
B208 B212 1.740(19) .
B208 H208 1.1200 .
B209 B213 1.721(19) .
B209 B210 1.72(2) .
B209 H209 1.1200 .
B210 B214 1.67(2) .
B210 B211 1.79(2) .
B210 H210 1.1200 .
B211 B215 1.674(18) .
B211 B214 1.681(18) .
B211 B212 1.77(2) .
B211 H372 1.1200 .
B212 B215 1.662(18) .
B212 B216 1.673(19) .
B212 B213 1.81(2) .
B212 H369 1.1200 .
B213 B216 1.685(19) .
B213 H370 1.1200 .
B214 B215 1.814(18) .
B214 H21A 1.1200 .
B215 B216 1.83(2) .
B215 H373 1.1200 .
B216 H371 1.1200 .
C276 C275 1.455(17) .
C276 H27H 0.9800 .
C276 H27I 0.9800 .
C276 H27J 0.9800 .
C275 H27K 0.9900 .
C275 H27L 0.9900 .
