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#$Date: 2025-10-16 01:39:48 +0300 (Thu, 16 Oct 2025) $
#$Revision: 302869 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/60/1576014.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_1576014
loop_
_publ_author_name
'Fukunaga, Toshiya M.'
'Takaba, Kiyofumi'
'Yoshida, Satoshi'
'Maki-Yonekura, Saori'
'Yonekura, Koji'
'Isobe, Hiroyuki'
_publ_section_title
;
 Expanded segments of three-dimensional carbonaceous nets with chirality:
 synthesis and structures
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D5SC06999H
_journal_year                    2025
_chemical_formula_moiety         '2(C204 H228 B6 O6)'
_chemical_formula_sum            'C408 H456 B12 O12'
_chemical_formula_weight         5681.42
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-09-09 deposited with the CCDC.	2025-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                92.43(5)
_cell_angle_beta                 105.74(5)
_cell_angle_gamma                117.31(5)
_cell_formula_units_Z            2
_cell_length_a                   23.17(2)
_cell_length_b                   25.09(3)
_cell_length_c                   42.23(4)
_cell_measurement_reflns_used    7185
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      0.313
_cell_measurement_theta_min      0.014
_cell_volume                     20592(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'JEOL CRYO ARM 300'
_diffrn_measurement_method       rotation
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.01968
_diffrn_reflns_av_R_equivalents  1.567
_diffrn_reflns_av_unetI/netI     0.6030
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_number            7185
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        0.313
_diffrn_reflns_theta_max         0.313
_diffrn_reflns_theta_min         0.014
_diffrn_source
'transmission electron microscope, cold field emission gun'
_exptl_absorpt_coefficient_mu    0.014
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    0.916
_exptl_crystal_description       block
_exptl_crystal_F_000             6120
_refine_diff_density_max         0.989
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.193
_refine_ls_extinction_coef       84412(504)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   2.759
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3314
_refine_ls_number_reflns         7185
_refine_ls_number_restraints     10132
_refine_ls_restrained_S_all      5.896
_refine_ls_R_factor_all          0.5573
_refine_ls_R_factor_gt           0.4576
_refine_ls_shift/su_max          0.095
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2400P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.7758
_refine_ls_wR_factor_ref         0.8198
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2424
_reflns_number_total             7185
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc06999h4.cif
_cod_data_source_block           p-1
_cod_original_cell_volume        20592(37)
_cod_database_code               1576014
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1A B 0.75415(16) 0.6990(2) 0.28648(6) 0.125(9) Uani 1 1 d DG U . . .
O1A O 0.79403(15) 0.6946(2) 0.31639(7) 0.125(10) Uani 1 1 d DG U . . .
B2A B 0.77198(15) 0.6882(2) 0.34420(7) 0.126(10) Uani 1 1 d DG U . . .
O2A O 0.71005(15) 0.6862(2) 0.34210(6) 0.125(10) Uani 1 1 d DG U . . .
B3A B 0.67017(15) 0.6905(2) 0.31219(6) 0.125(9) Uani 1 1 d DG U . . .
O3A O 0.69222(16) 0.6969(2) 0.28438(6) 0.125(10) Uani 1 1 d DG U . . .
C1A C 0.77909(14) 0.70663(13) 0.25558(6) 0.126(10) Uani 1 1 d DG U . . .
C2A C 0.76057(17) 0.73809(16) 0.23216(7) 0.126(10) Uani 1 1 d DG U . . .
H16 H 0.732233 0.754545 0.234974 0.151 Uiso 1 1 calc DR U . . .
C3A C 0.78353(17) 0.74549(17) 0.20463(8) 0.126(10) Uani 1 1 d DG U . . .
C4A C 0.82499(14) 0.72142(16) 0.20052(7) 0.126(10) Uani 1 1 d DG U . . .
H17 H 0.840680 0.726469 0.181706 0.151 Uiso 1 1 calc DR U . . .
C5A C 0.84351(17) 0.68995(17) 0.22394(8) 0.126(10) Uani 1 1 d DG U . . .
C6A C 0.82056(16) 0.68256(15) 0.25147(7) 0.126(10) Uani 1 1 d DG U . . .
H18 H 0.833216 0.661058 0.267478 0.151 Uiso 1 1 calc R U . . .
C7A C 0.76332(15) 0.78080(12) 0.17913(8) 0.127(11) Uani 1 1 d D U . . .
C8A C 0.69303(18) 0.77414(16) 0.17814(7) 0.126(14) Uani 1 1 d D U . . .
H133 H 0.680268 0.796747 0.161822 0.189 Uiso 1 1 calc R U . . .
H134 H 0.657980 0.730810 0.171549 0.189 Uiso 1 1 calc DR U . . .
H135 H 0.696336 0.790638 0.200403 0.189 Uiso 1 1 calc DR U . . .
C9A C 0.8182(2) 0.84930(13) 0.18941(9) 0.128(16) Uani 1 1 d D U . . .
H136 H 0.805047 0.871671 0.173053 0.192 Uiso 1 1 calc DR U . . .
H137 H 0.821403 0.865785 0.211667 0.192 Uiso 1 1 calc DR U . . .
H138 H 0.862809 0.853847 0.190031 0.192 Uiso 1 1 calc DR U . . .
C10A C 0.75790(15) 0.75522(15) 0.14391(7) 0.127(15) Uani 1 1 d D U . . .
H139 H 0.744984 0.777984 0.127751 0.190 Uiso 1 1 calc DR U . . .
H140 H 0.802395 0.759568 0.144389 0.190 Uiso 1 1 calc DR U . . .
H141 H 0.722889 0.711887 0.137232 0.190 Uiso 1 1 calc DR U . . .
C11A C 0.88857(13) 0.66467(13) 0.21974(10) 0.126(10) Uani 1 1 d DG U . . .
C12A C 0.94973(13) 0.70181(13) 0.21395(12) 0.126(10) Uani 1 1 d DG U . . .
H19 H 0.962599 0.743186 0.212449 0.151 Uiso 1 1 calc R U . . .
C13A C 0.99206(14) 0.67840(14) 0.21034(13) 0.126(11) Uani 1 1 d DG U . . .
C14A C 0.97323(14) 0.61786(14) 0.21253(11) 0.126(10) Uani 1 1 d DG U . . .
H20 H 1.002165 0.601858 0.210068 0.151 Uiso 1 1 calc R U . . .
C15A C 0.91208(15) 0.58072(13) 0.21833(12) 0.126(10) Uani 1 1 d DG U . . .
C16A C 0.86974(14) 0.60413(13) 0.22194(11) 0.126(10) Uani 1 1 d DG U . . .
H21 H 0.827945 0.578749 0.225898 0.151 Uiso 1 1 calc R U . . .
C17A C 1.05964(16) 0.71944(19) 0.20404(13) 0.125(12) Uani 1 1 d D U . . .
C18A C 1.09656(15) 0.6826(2) 0.20067(13) 0.126(14) Uani 1 1 d D U . . .
H142 H 1.139683 0.708970 0.196654 0.188 Uiso 1 1 calc DR U . . .
H143 H 1.106469 0.667499 0.221403 0.188 Uiso 1 1 calc R U . . .
H144 H 1.066919 0.647809 0.181824 0.188 Uiso 1 1 calc R U . . .
C19A C 1.10691(13) 0.7744(2) 0.2337(2) 0.125(15) Uani 1 1 d D U . . .
H145 H 1.149997 0.800462 0.229526 0.187 Uiso 1 1 calc R U . . .
H146 H 1.083856 0.798096 0.235812 0.187 Uiso 1 1 calc DR U . . .
H147 H 1.116825 0.759444 0.254436 0.187 Uiso 1 1 calc R U . . .
C20A C 1.0446(3) 0.7434(4) 0.17136(18) 0.125(15) Uani 1 1 d D U . . .
H148 H 1.087967 0.769584 0.167446 0.188 Uiso 1 1 calc DR U . . .
H149 H 1.014938 0.708733 0.152469 0.188 Uiso 1 1 calc DR U . . .
H150 H 1.021525 0.767072 0.173429 0.188 Uiso 1 1 calc DR U . . .
C21A C 0.89210(13) 0.51594(10) 0.22087(8) 0.126(10) Uani 1 1 d DG U . . .
C22A C 0.91769(15) 0.48554(11) 0.20557(8) 0.126(10) Uani 1 1 d DG U . . .
H22 H 0.947844 0.506046 0.193427 0.151 Uiso 1 1 calc R U . . .
C23A C 0.89917(17) 0.42514(11) 0.20803(9) 0.126(10) Uani 1 1 d DG U . . .
C24A C 0.85505(19) 0.39514(12) 0.22579(10) 0.126(10) Uani 1 1 d DG U . . .
H23 H 0.842386 0.353864 0.227470 0.151 Uiso 1 1 calc R U . . .
C25A C 0.8295(2) 0.42554(15) 0.24109(11) 0.125(9) Uani 1 1 d DG U . . .
C26A C 0.84797(17) 0.48594(13) 0.23863(9) 0.125(10) Uani 1 1 d DG U . . .
H24 H 0.830481 0.506711 0.249091 0.151 Uiso 1 1 calc DR U . . .
C27A C 0.92774(10) 0.39119(9) 0.19094(5) 0.127(11) Uani 1 1 d D U . . .
C28A C 0.87178(13) 0.34850(14) 0.15814(6) 0.129(15) Uani 1 1 d D U . . .
H151 H 0.831534 0.318493 0.163218 0.193 Uiso 1 1 calc DR U . . .
H152 H 0.858523 0.372684 0.143171 0.193 Uiso 1 1 calc DR U . . .
H153 H 0.889684 0.327164 0.147168 0.193 Uiso 1 1 calc DR U . . .
C29A C 0.99120(12) 0.43851(11) 0.18317(8) 0.126(14) Uani 1 1 d D U . . .
H154 H 1.026642 0.465550 0.204107 0.189 Uiso 1 1 calc DR U . . .
H155 H 1.009254 0.417286 0.172226 0.189 Uiso 1 1 calc DR U . . .
H156 H 0.978093 0.462807 0.168229 0.189 Uiso 1 1 calc DR U . . .
C30A C 0.94814(15) 0.35341(11) 0.21481(7) 0.127(14) Uani 1 1 d D U . . .
H157 H 0.983744 0.380774 0.235629 0.190 Uiso 1 1 calc R U . . .
H158 H 0.907742 0.323777 0.219925 0.190 Uiso 1 1 calc DR U . . .
H159 H 0.965920 0.331649 0.204068 0.190 Uiso 1 1 calc R U . . .
C31A C 0.7820(2) 0.3934(2) 0.26004(11) 0.125(9) Uani 1 1 d DG U . . .
C32A C 0.7206(2) 0.3946(3) 0.25368(12) 0.125(9) Uani 1 1 d DG U . . .
H25 H 0.708853 0.415858 0.237244 0.150 Uiso 1 1 calc DR U . . .
C33A C 0.6763(2) 0.3647(3) 0.27139(12) 0.124(9) Uani 1 1 d DG U . . .
C34A C 0.69343(16) 0.3336(2) 0.29544(10) 0.124(9) Uani 1 1 d DG U . . .
H26 H 0.663165 0.313126 0.307539 0.149 Uiso 1 1 calc R U . . .
C35A C 0.75487(13) 0.33237(17) 0.30180(9) 0.123(9) Uani 1 1 d DG U . . .
C36A C 0.79916(15) 0.36228(17) 0.28409(10) 0.124(9) Uani 1 1 d DG U . . .
H27 H 0.841150 0.361459 0.288438 0.149 Uiso 1 1 calc DR U . . .
C37A C 0.77337(8) 0.29899(9) 0.32755(5) 0.122(9) Uani 1 1 d DG U . . .
C38A C 0.84068(7) 0.32427(8) 0.34900(5) 0.121(10) Uani 1 1 d DG U . . .
H52 H 0.874768 0.362956 0.347368 0.145 Uiso 1 1 calc R U . . .
C39A C 0.85811(6) 0.29296(8) 0.37285(4) 0.120(10) Uani 1 1 d DG U . . .
C40A C 0.80823(7) 0.23636(9) 0.37525(5) 0.120(10) Uani 1 1 d DG U . . .
H53 H 0.820139 0.214962 0.391548 0.144 Uiso 1 1 calc DR U . . .
C41A C 0.74092(7) 0.21107(10) 0.35380(7) 0.119(10) Uani 1 1 d DG U . . .
C42A C 0.72349(7) 0.24239(10) 0.32995(6) 0.120(10) Uani 1 1 d DG U . . .
H54 H 0.677495 0.225103 0.315284 0.144 Uiso 1 1 calc DR U . . .
C43A C 0.93327(7) 0.32118(7) 0.39682(4) 0.120(11) Uani 1 1 d D U . . .
C44A C 0.95198(13) 0.38035(8) 0.41948(6) 0.120(14) Uani 1 1 d D U . . .
H160 H 0.920971 0.370849 0.432763 0.180 Uiso 1 1 calc DR U . . .
H161 H 0.999516 0.398514 0.434558 0.180 Uiso 1 1 calc DR U . . .
H162 H 0.947366 0.409350 0.405551 0.180 Uiso 1 1 calc DR U . . .
C45A C 0.98179(7) 0.33574(14) 0.37585(6) 0.121(14) Uani 1 1 d D U . . .
H163 H 0.977694 0.365124 0.362102 0.181 Uiso 1 1 calc DR U . . .
H164 H 1.029300 0.353307 0.390867 0.181 Uiso 1 1 calc DR U . . .
H165 H 0.969262 0.298047 0.361248 0.181 Uiso 1 1 calc DR U . . .
C46A C 0.93941(9) 0.27501(9) 0.41851(6) 0.120(15) Uani 1 1 d D U . . .
H166 H 0.908445 0.265904 0.431790 0.180 Uiso 1 1 calc R U . . .
H167 H 0.926823 0.237242 0.403955 0.180 Uiso 1 1 calc DR U . . .
H168 H 0.986862 0.292501 0.433575 0.180 Uiso 1 1 calc DR U . . .
C47A C 0.68750(10) 0.15041(9) 0.35632(8) 0.118(10) Uani 1 1 d DG U . . .
C48A C 0.70679(9) 0.11210(10) 0.37359(8) 0.118(10) Uani 1 1 d DG U . . .
H55 H 0.754103 0.124667 0.383849 0.142 Uiso 1 1 calc DR U . . .
C49A C 0.65685(11) 0.05541(10) 0.37585(8) 0.118(11) Uani 1 1 d DG U . . .
C50A C 0.58762(10) 0.03703(11) 0.36084(8) 0.118(11) Uani 1 1 d DG U . . .
H56 H 0.553495 -0.001711 0.362379 0.142 Uiso 1 1 calc R U . . .
C51A C 0.56833(9) 0.07534(13) 0.34357(8) 0.119(10) Uani 1 1 d DG U . . .
C52A C 0.61827(10) 0.13203(11) 0.34131(8) 0.118(10) Uani 1 1 d DG U . . .
H57 H 0.605087 0.158208 0.329507 0.142 Uiso 1 1 calc DR U . . .
C53A C 0.67838(8) 0.01258(8) 0.39508(5) 0.118(12) Uani 1 1 d D U . . .
C54A C 0.74969(10) 0.05149(12) 0.42181(6) 0.119(16) Uani 1 1 d D U . . .
H169 H 0.747550 0.079704 0.437634 0.178 Uiso 1 1 calc R U . . .
H170 H 0.763673 0.024624 0.433922 0.178 Uiso 1 1 calc R U . . .
H171 H 0.783237 0.074890 0.410886 0.178 Uiso 1 1 calc DR U . . .
C55A C 0.62515(12) -0.02367(13) 0.41210(6) 0.119(15) Uani 1 1 d D U . . .
H172 H 0.623477 0.004836 0.427958 0.179 Uiso 1 1 calc DR U . . .
H173 H 0.579762 -0.047891 0.395018 0.179 Uiso 1 1 calc DR U . . .
H174 H 0.638339 -0.051005 0.424147 0.179 Uiso 1 1 calc DR U . . .
C56A C 0.68132(15) -0.03191(11) 0.37010(7) 0.119(14) Uani 1 1 d D U . . .
H175 H 0.635843 -0.056550 0.353153 0.179 Uiso 1 1 calc DR U . . .
H176 H 0.714779 -0.008612 0.359113 0.179 Uiso 1 1 calc R U . . .
H177 H 0.695215 -0.058877 0.382148 0.179 Uiso 1 1 calc R U . . .
C57A C 0.49426(10) 0.05559(16) 0.32730(6) 0.120(10) Uani 1 1 d DG U . . .
C58A C 0.44904(9) 0.03399(13) 0.34549(6) 0.120(11) Uani 1 1 d DG U . . .
H58 H 0.465382 0.031677 0.368310 0.144 Uiso 1 1 calc R U . . .
C59A C 0.37991(9) 0.01576(14) 0.33028(6) 0.120(11) Uani 1 1 d DG U . . .
C60A C 0.35599(11) 0.01914(19) 0.29689(6) 0.121(10) Uani 1 1 d DG U . . .
H59 H 0.308745 0.006686 0.286497 0.145 Uiso 1 1 calc DR U . . .
C61A C 0.40121(13) 0.0407(2) 0.27870(6) 0.121(10) Uani 1 1 d DG U . . .
C62A C 0.47034(12) 0.0590(2) 0.29391(7) 0.120(10) Uani 1 1 d DG U . . .
H60 H 0.501247 0.073740 0.281479 0.144 Uiso 1 1 calc R U . . .
C63A C 0.32984(12) -0.00875(8) 0.35023(7) 0.120(12) Uani 1 1 d D U . . .
C64A C 0.25600(9) -0.05056(17) 0.32589(8) 0.121(16) Uani 1 1 d D U . . .
H178 H 0.224198 -0.066105 0.338740 0.181 Uiso 1 1 calc R U . . .
H179 H 0.242559 -0.027095 0.310432 0.181 Uiso 1 1 calc DR U . . .
H180 H 0.254448 -0.084969 0.313093 0.181 Uiso 1 1 calc DR U . . .
C65A C 0.35045(15) -0.04611(14) 0.37460(8) 0.120(15) Uani 1 1 d D U . . .
H181 H 0.318359 -0.061683 0.387296 0.180 Uiso 1 1 calc R U . . .
H182 H 0.348910 -0.080510 0.361797 0.180 Uiso 1 1 calc DR U . . .
H183 H 0.397157 -0.019800 0.390163 0.180 Uiso 1 1 calc DR U . . .
C66A C 0.3318(2) 0.04505(14) 0.37054(7) 0.120(14) Uani 1 1 d D U . . .
H184 H 0.299719 0.029099 0.383218 0.180 Uiso 1 1 calc R U . . .
H185 H 0.378444 0.071493 0.386117 0.180 Uiso 1 1 calc DR U . . .
H186 H 0.318467 0.068693 0.355174 0.180 Uiso 1 1 calc DR U . . .
C1B C 0.81675(12) 0.68394(19) 0.37764(7) 0.127(10) Uani 1 1 d DG U . . .
C2B C 0.88788(12) 0.71369(19) 0.38591(8) 0.128(11) Uani 1 1 d DG U . . .
H1 H 0.909011 0.736398 0.370999 0.153 Uiso 1 1 calc R U . . .
C3B C 0.92810(11) 0.71021(19) 0.41600(8) 0.128(11) Uani 1 1 d DG U . . .
C4B C 0.89719(12) 0.67699(17) 0.43782(7) 0.128(11) Uani 1 1 d DG U . . .
H2 H 0.924675 0.674612 0.458381 0.154 Uiso 1 1 calc R U . . .
C5B C 0.82606(12) 0.64724(17) 0.42955(7) 0.127(10) Uani 1 1 d DG U . . .
C6B C 0.78584(10) 0.65072(19) 0.39946(7) 0.127(10) Uani 1 1 d DG U . . .
H3 H 0.737226 0.630390 0.393805 0.153 Uiso 1 1 calc R U . . .
C7B C 1.00664(14) 0.74309(16) 0.42546(10) 0.129(12) Uani 1 1 d D U . . .
C8B C 1.02872(14) 0.7789(2) 0.39816(13) 0.130(16) Uani 1 1 d D U . . .
H187 H 1.078939 0.799756 0.404368 0.194 Uiso 1 1 calc DR U . . .
H188 H 1.008266 0.750423 0.376648 0.194 Uiso 1 1 calc DR U . . .
H189 H 1.012987 0.809158 0.396132 0.194 Uiso 1 1 calc DR U . . .
C9B C 1.03950(17) 0.78819(15) 0.45939(12) 0.129(16) Uani 1 1 d D U . . .
H190 H 1.089671 0.809107 0.465358 0.194 Uiso 1 1 calc R U . . .
H191 H 1.023688 0.818422 0.457471 0.194 Uiso 1 1 calc DR U . . .
H192 H 1.025949 0.765593 0.476840 0.194 Uiso 1 1 calc R U . . .
C10B C 1.03209(15) 0.69573(17) 0.42873(14) 0.129(14) Uani 1 1 d D U . . .
H193 H 1.082287 0.716909 0.434782 0.193 Uiso 1 1 calc DR U . . .
H194 H 1.018560 0.673190 0.446202 0.193 Uiso 1 1 calc DR U . . .
H195 H 1.011563 0.667070 0.407293 0.193 Uiso 1 1 calc DR U . . .
C11B C 0.79298(14) 0.61204(13) 0.45307(5) 0.127(10) Uani 1 1 d DG U . . .
C12B C 0.82052(13) 0.63647(12) 0.48724(5) 0.127(11) Uani 1 1 d DG U . . .
H4 H 0.860503 0.675498 0.495596 0.153 Uiso 1 1 calc R U . . .
C13B C 0.78955(12) 0.60380(11) 0.50920(4) 0.127(11) Uani 1 1 d DG U . . .
C14B C 0.73105(14) 0.54670(12) 0.49698(4) 0.127(11) Uani 1 1 d DG U . . .
H5 H 0.709888 0.524365 0.511986 0.152 Uiso 1 1 calc DR U . . .
C15B C 0.70351(16) 0.52227(12) 0.46281(5) 0.127(10) Uani 1 1 d DG U . . .
C16B C 0.73448(15) 0.55494(12) 0.44085(4) 0.127(11) Uani 1 1 d DG U . . .
H6 H 0.715656 0.538242 0.417495 0.152 Uiso 1 1 calc DR U . . .
C17B C 0.82015(8) 0.63117(8) 0.54735(4) 0.126(12) Uani 1 1 d D U . . .
C18B C 0.88244(8) 0.69543(8) 0.55372(7) 0.126(16) Uani 1 1 d D U . . .
H196 H 0.867640 0.721819 0.541591 0.189 Uiso 1 1 calc DR U . . .
H197 H 0.902156 0.712798 0.577801 0.189 Uiso 1 1 calc R U . . .
H198 H 0.917163 0.692548 0.545826 0.189 Uiso 1 1 calc DR U . . .
C19B C 0.84300(15) 0.58939(9) 0.56634(7) 0.126(15) Uani 1 1 d D U . . .
H199 H 0.878144 0.586844 0.558686 0.189 Uiso 1 1 calc DR U . . .
H200 H 0.862066 0.606325 0.590462 0.189 Uiso 1 1 calc DR U . . .
H201 H 0.803323 0.548421 0.561950 0.189 Uiso 1 1 calc DR U . . .
C20B C 0.76490(9) 0.63541(14) 0.55924(6) 0.126(15) Uani 1 1 d D U . . .
H202 H 0.750541 0.662032 0.547090 0.189 Uiso 1 1 calc DR U . . .
H203 H 0.725123 0.594499 0.554843 0.189 Uiso 1 1 calc DR U . . .
H204 H 0.783866 0.652403 0.583356 0.189 Uiso 1 1 calc DR U . . .
C21B C 0.64051(13) 0.46125(9) 0.44972(5) 0.127(10) Uani 1 1 d DG U . . .
C22B C 0.62121(14) 0.42098(9) 0.47126(4) 0.126(11) Uani 1 1 d DG U . . .
H7 H 0.648475 0.432182 0.494259 0.151 Uiso 1 1 calc DR U . . .
C23B C 0.56201(12) 0.36433(10) 0.45915(5) 0.126(11) Uani 1 1 d DG U . . .
C24B C 0.52211(11) 0.34795(12) 0.42550(5) 0.126(11) Uani 1 1 d DG U . . .
H8 H 0.481649 0.309226 0.417218 0.151 Uiso 1 1 calc DR U . . .
C25B C 0.54141(12) 0.38821(13) 0.40396(5) 0.126(10) Uani 1 1 d DG U . . .
C26B C 0.60060(12) 0.44487(11) 0.41607(5) 0.127(10) Uani 1 1 d DG U . . .
H9 H 0.613794 0.472386 0.401348 0.152 Uiso 1 1 calc DR U . . .
C27B C 0.54036(9) 0.31939(8) 0.48320(5) 0.125(12) Uani 1 1 d D U . . .
C28B C 0.50393(16) 0.25326(8) 0.46355(7) 0.126(15) Uani 1 1 d D U . . .
H205 H 0.535478 0.246973 0.454448 0.188 Uiso 1 1 calc DR U . . .
H206 H 0.489856 0.224689 0.478599 0.188 Uiso 1 1 calc DR U . . .
H207 H 0.463264 0.246043 0.445111 0.188 Uiso 1 1 calc DR U . . .
C29B C 0.49109(10) 0.32964(14) 0.49760(7) 0.127(14) Uani 1 1 d D U . . .
H208 H 0.450110 0.321957 0.479224 0.190 Uiso 1 1 calc R U . . .
H209 H 0.477513 0.301565 0.512935 0.190 Uiso 1 1 calc R U . . .
H210 H 0.514283 0.371933 0.509806 0.190 Uiso 1 1 calc R U . . .
C30B C 0.60491(10) 0.33138(10) 0.51194(6) 0.126(15) Uani 1 1 d D U . . .
H211 H 0.636084 0.324798 0.502652 0.189 Uiso 1 1 calc DR U . . .
H212 H 0.628255 0.373674 0.524164 0.189 Uiso 1 1 calc R U . . .
H213 H 0.591485 0.303305 0.527293 0.189 Uiso 1 1 calc R U . . .
C31B C 0.49824(12) 0.37089(19) 0.36797(6) 0.126(9) Uani 1 1 d DG U . . .
C32B C 0.52788(14) 0.3745(3) 0.34304(7) 0.126(9) Uani 1 1 d DG U . . .
H10 H 0.575653 0.387852 0.348939 0.151 Uiso 1 1 calc R U . . .
C33B C 0.48763(17) 0.3586(3) 0.30946(7) 0.126(9) Uani 1 1 d DG U . . .
C34B C 0.41774(16) 0.3391(3) 0.30083(6) 0.126(9) Uani 1 1 d DG U . . .
H11 H 0.390232 0.328228 0.277883 0.151 Uiso 1 1 calc R U . . .
C35B C 0.38809(12) 0.33547(17) 0.32576(6) 0.126(9) Uani 1 1 d DG U . . .
C36B C 0.42834(13) 0.35136(17) 0.35933(6) 0.126(10) Uani 1 1 d DG U . . .
H12 H 0.408077 0.348886 0.376375 0.151 Uiso 1 1 calc R U . . .
C37B C 0.31316(8) 0.31484(11) 0.31646(7) 0.126(10) Uani 1 1 d DG U . . .
C38B C 0.29088(7) 0.34960(11) 0.33079(7) 0.126(10) Uani 1 1 d DG U . . .
H43 H 0.323348 0.386320 0.346676 0.151 Uiso 1 1 calc R U . . .
C39B C 0.22108(7) 0.33065(11) 0.32188(7) 0.126(10) Uani 1 1 d DG U . . .
C40B C 0.17356(7) 0.27693(13) 0.29864(8) 0.126(10) Uani 1 1 d DG U . . .
H44 H 0.125861 0.263971 0.292553 0.151 Uiso 1 1 calc DR U . . .
C41B C 0.19585(9) 0.24216(14) 0.28431(10) 0.126(10) Uani 1 1 d DG U . . .
C42B C 0.26565(10) 0.26111(12) 0.29321(9) 0.126(10) Uani 1 1 d DG U . . .
H45 H 0.280877 0.237353 0.283415 0.151 Uiso 1 1 calc DR U . . .
C43B C 0.19655(8) 0.36975(8) 0.33794(4) 0.126(11) Uani 1 1 d D U . . .
C44B C 0.25775(9) 0.41994(10) 0.36674(6) 0.125(15) Uani 1 1 d D U . . .
H214 H 0.275447 0.400943 0.383763 0.187 Uiso 1 1 calc DR U . . .
H215 H 0.294151 0.445868 0.357929 0.187 Uiso 1 1 calc DR U . . .
H216 H 0.242605 0.444952 0.376866 0.187 Uiso 1 1 calc DR U . . .
C45B C 0.13951(10) 0.32824(11) 0.35168(5) 0.126(14) Uani 1 1 d D U . . .
H217 H 0.157654 0.309590 0.368754 0.189 Uiso 1 1 calc DR U . . .
H218 H 0.123614 0.352668 0.361705 0.189 Uiso 1 1 calc DR U . . .
H219 H 0.100974 0.296050 0.333315 0.189 Uiso 1 1 calc DR U . . .
C46B C 0.16843(14) 0.39925(11) 0.31107(6) 0.126(14) Uani 1 1 d D U . . .
H220 H 0.204903 0.425607 0.302418 0.189 Uiso 1 1 calc DR U . . .
H221 H 0.129930 0.367150 0.292661 0.189 Uiso 1 1 calc DR U . . .
H222 H 0.152570 0.423768 0.321051 0.189 Uiso 1 1 calc DR U . . .
C47B C 0.14494(8) 0.18465(13) 0.25931(8) 0.126(10) Uani 1 1 d DG U . . .
C48B C 0.07645(9) 0.15552(13) 0.25776(8) 0.126(11) Uani 1 1 d DG U . . .
H46 H 0.062045 0.172292 0.272624 0.152 Uiso 1 1 calc DR U . . .
C49B C 0.02902(8) 0.10186(12) 0.23446(7) 0.126(11) Uani 1 1 d DG U . . .
C50B C 0.05010(10) 0.07732(12) 0.21271(7) 0.126(10) Uani 1 1 d DG U . . .
H47 H 0.017684 0.040644 0.196779 0.151 Uiso 1 1 calc R U . . .
C51B C 0.11859(10) 0.10645(14) 0.21426(7) 0.126(10) Uani 1 1 d DG U . . .
C52B C 0.16601(9) 0.16011(13) 0.23756(8) 0.126(10) Uani 1 1 d DG U . . .
H48 H 0.212822 0.180018 0.238626 0.151 Uiso 1 1 calc DR U . . .
C53B C -0.04745(8) 0.06924(8) 0.23276(5) 0.127(12) Uani 1 1 d D U . . .
C54B C -0.08663(12) 0.00789(9) 0.20770(6) 0.126(15) Uani 1 1 d D U . . .
H223 H -0.083962 0.015452 0.185428 0.189 Uiso 1 1 calc DR U . . .
H224 H -0.065980 -0.017795 0.215072 0.189 Uiso 1 1 calc DR U . . .
H225 H -0.134890 -0.013023 0.206656 0.189 Uiso 1 1 calc DR U . . .
C55B C -0.07896(11) 0.11025(9) 0.22108(9) 0.127(14) Uani 1 1 d D U . . .
H226 H -0.076319 0.117424 0.198759 0.190 Uiso 1 1 calc DR U . . .
H227 H -0.127169 0.089986 0.220123 0.190 Uiso 1 1 calc DR U . . .
H228 H -0.053445 0.149437 0.236935 0.190 Uiso 1 1 calc DR U . . .
C56B C -0.05140(15) 0.05775(14) 0.26784(5) 0.128(15) Uani 1 1 d D U . . .
H229 H -0.031292 0.031649 0.275153 0.192 Uiso 1 1 calc DR U . . .
H230 H -0.025850 0.096871 0.283752 0.192 Uiso 1 1 calc DR U . . .
H231 H -0.099574 0.037420 0.266940 0.192 Uiso 1 1 calc DR U . . .
C57B C 0.14134(12) 0.08001(15) 0.19112(4) 0.125(10) Uani 1 1 d DG U . . .
C58B C 0.10248(10) 0.05850(12) 0.15731(5) 0.125(10) Uani 1 1 d DG U . . .
H49 H 0.061265 0.060535 0.148939 0.150 Uiso 1 1 calc DR U . . .
C59B C 0.12392(8) 0.03401(10) 0.13574(4) 0.125(11) Uani 1 1 d DG U . . .
C60B C 0.18422(11) 0.03103(18) 0.14799(5) 0.125(10) Uani 1 1 d DG U . . .
H50 H 0.198876 0.014297 0.133245 0.149 Uiso 1 1 calc R U . . .
C61B C 0.22308(14) 0.0525(2) 0.18180(5) 0.125(10) Uani 1 1 d DG U . . .
C62B C 0.20164(13) 0.07704(19) 0.20337(4) 0.125(10) Uani 1 1 d DG U . . .
H51 H 0.228196 0.091742 0.226475 0.150 Uiso 1 1 calc R U . . .
C63B C 0.08231(8) 0.01307(8) 0.09770(4) 0.124(12) Uani 1 1 d D U . . .
C64B C 0.00545(8) -0.01246(15) 0.09298(6) 0.125(15) Uani 1 1 d D U . . .
H232 H -0.001426 0.019562 0.102586 0.188 Uiso 1 1 calc DR U . . .
H233 H -0.021090 -0.026019 0.068998 0.188 Uiso 1 1 calc DR U . . .
H234 H -0.010059 -0.047181 0.104353 0.188 Uiso 1 1 calc DR U . . .
C65B C 0.09354(12) -0.03701(10) 0.08266(5) 0.125(14) Uani 1 1 d D U . . .
H235 H 0.142512 -0.020549 0.085719 0.188 Uiso 1 1 calc R U . . .
H236 H 0.078150 -0.071761 0.094016 0.188 Uiso 1 1 calc R U . . .
H237 H 0.067118 -0.050600 0.058662 0.188 Uiso 1 1 calc DR U . . .
C66B C 0.10733(17) 0.06823(9) 0.08031(5) 0.122(15) Uani 1 1 d D U . . .
H238 H 0.100078 0.099954 0.089962 0.183 Uiso 1 1 calc DR U . . .
H239 H 0.156401 0.084658 0.083648 0.183 Uiso 1 1 calc DR U . . .
H240 H 0.081440 0.055187 0.056246 0.183 Uiso 1 1 calc DR U . . .
C1C C 0.60141(10) 0.68874(13) 0.30998(4) 0.124(10) Uani 1 1 d DG U . . .
C2C C 0.59199(10) 0.70729(13) 0.33877(4) 0.124(10) Uani 1 1 d DG U . . .
H28 H 0.627650 0.721012 0.359761 0.149 Uiso 1 1 calc R U . . .
C3C C 0.53039(11) 0.70576(15) 0.33686(4) 0.123(10) Uani 1 1 d DG U . . .
C4C C 0.47821(11) 0.68569(15) 0.30616(4) 0.123(10) Uani 1 1 d DG U . . .
H29 H 0.436111 0.684644 0.304849 0.148 Uiso 1 1 calc DR U . . .
C5C C 0.48763(11) 0.66714(14) 0.27736(4) 0.124(10) Uani 1 1 d DG U . . .
C6C C 0.54923(12) 0.66867(15) 0.27927(4) 0.124(10) Uani 1 1 d DG U . . .
H30 H 0.555673 0.655993 0.259593 0.149 Uiso 1 1 calc DR U . . .
C7C C 0.52016(8) 0.72595(7) 0.36924(4) 0.123(11) Uani 1 1 d D U . . .
C8C C 0.56937(9) 0.71995(11) 0.39990(4) 0.124(15) Uani 1 1 d D U . . .
H241 H 0.559133 0.677243 0.398137 0.185 Uiso 1 1 calc DR U . . .
H242 H 0.616940 0.745868 0.400650 0.185 Uiso 1 1 calc DR U . . .
H243 H 0.563348 0.732921 0.420434 0.185 Uiso 1 1 calc DR U . . .
C9C C 0.53593(15) 0.79297(7) 0.37183(7) 0.123(14) Uani 1 1 d D U . . .
H244 H 0.583657 0.819053 0.372867 0.185 Uiso 1 1 calc DR U . . .
H245 H 0.504931 0.796646 0.352121 0.185 Uiso 1 1 calc DR U . . .
H246 H 0.529235 0.805852 0.392165 0.185 Uiso 1 1 calc DR U . . .
C10C C 0.44522(8) 0.68464(11) 0.36761(6) 0.124(15) Uani 1 1 d D U . . .
H247 H 0.435451 0.642067 0.365965 0.186 Uiso 1 1 calc DR U . . .
H248 H 0.438409 0.697387 0.387936 0.186 Uiso 1 1 calc DR U . . .
H249 H 0.414104 0.688181 0.347891 0.186 Uiso 1 1 calc DR U . . .
C11C C 0.43203(13) 0.64660(10) 0.24436(6) 0.123(10) Uani 1 1 d DG U . . .
C12C C 0.40000(15) 0.68129(11) 0.23476(7) 0.124(10) Uani 1 1 d DG U . . .
H61 H 0.413542 0.717995 0.249216 0.148 Uiso 1 1 calc DR U . . .
C13C C 0.34815(19) 0.66227(13) 0.20401(9) 0.124(11) Uani 1 1 d DG U . . .
C14C C 0.32833(19) 0.60857(14) 0.18286(8) 0.123(10) Uani 1 1 d DG U . . .
H62 H 0.292896 0.595572 0.161845 0.148 Uiso 1 1 calc R U . . .
C15C C 0.36036(16) 0.57388(12) 0.19246(7) 0.123(10) Uani 1 1 d DG U . . .
C16C C 0.41221(14) 0.59289(11) 0.22320(7) 0.123(10) Uani 1 1 d DG U . . .
H63 H 0.434106 0.569183 0.229761 0.148 Uiso 1 1 calc R U . . .
C17C C 0.31271(18) 0.70046(13) 0.19336(12) 0.124(11) Uani 1 1 d D U . . .
C18C C 0.34034(19) 0.75512(13) 0.22202(13) 0.125(14) Uani 1 1 d D U . . .
H250 H 0.317537 0.779345 0.215077 0.188 Uiso 1 1 calc DR U . . .
H251 H 0.330980 0.739894 0.242059 0.188 Uiso 1 1 calc DR U . . .
H252 H 0.390036 0.780778 0.227083 0.188 Uiso 1 1 calc DR U . . .
C19C C 0.23424(16) 0.66046(18) 0.18535(19) 0.124(15) Uani 1 1 d D U . . .
H253 H 0.211832 0.685046 0.178557 0.186 Uiso 1 1 calc DR U . . .
H254 H 0.216412 0.625890 0.167066 0.186 Uiso 1 1 calc R U . . .
H255 H 0.224739 0.645093 0.205338 0.186 Uiso 1 1 calc DR U . . .
C20C C 0.3272(3) 0.72482(15) 0.16177(12) 0.124(15) Uani 1 1 d D U . . .
H256 H 0.304472 0.749179 0.155062 0.186 Uiso 1 1 calc DR U . . .
H257 H 0.376884 0.750420 0.166750 0.186 Uiso 1 1 calc R U . . .
H258 H 0.309457 0.690304 0.143467 0.186 Uiso 1 1 calc R U . . .
C21C C 0.33883(10) 0.51625(11) 0.16975(6) 0.124(10) Uani 1 1 d DG U . . .
C22C C 0.27531(9) 0.48769(9) 0.14450(6) 0.124(10) Uani 1 1 d DG U . . .
H64 H 0.245678 0.504839 0.141800 0.149 Uiso 1 1 calc DR U . . .
C23C C 0.25516(9) 0.43402(9) 0.12321(6) 0.124(10) Uani 1 1 d DG U . . .
C24C C 0.29851(11) 0.40892(12) 0.12716(7) 0.124(10) Uani 1 1 d DG U . . .
H65 H 0.284739 0.372245 0.112609 0.149 Uiso 1 1 calc R U . . .
C25C C 0.36203(12) 0.43749(15) 0.15241(8) 0.123(9) Uani 1 1 d DG U . . .
C26C C 0.38219(11) 0.49116(14) 0.17370(7) 0.123(10) Uani 1 1 d DG U . . .
H66 H 0.425594 0.510679 0.190952 0.148 Uiso 1 1 calc DR U . . .
C27C C 0.18424(8) 0.40188(7) 0.09500(4) 0.125(12) Uani 1 1 d D U . . .
C28C C 0.18586(16) 0.44072(10) 0.06764(5) 0.127(15) Uani 1 1 d D U . . .
H259 H 0.195298 0.481182 0.077396 0.190 Uiso 1 1 calc R U . . .
H260 H 0.222020 0.445209 0.058416 0.190 Uiso 1 1 calc R U . . .
H261 H 0.141289 0.420466 0.049686 0.190 Uiso 1 1 calc R U . . .
C29C C 0.12820(9) 0.39536(12) 0.10998(7) 0.126(14) Uani 1 1 d D U . . .
H262 H 0.127378 0.370625 0.127369 0.189 Uiso 1 1 calc DR U . . .
H263 H 0.138211 0.435967 0.119857 0.189 Uiso 1 1 calc DR U . . .
H264 H 0.083347 0.375346 0.092232 0.189 Uiso 1 1 calc DR U . . .
C30C C 0.16942(12) 0.33818(8) 0.07986(7) 0.126(15) Uani 1 1 d D U . . .
H265 H 0.168448 0.313659 0.097367 0.188 Uiso 1 1 calc DR U . . .
H266 H 0.124835 0.317801 0.061925 0.188 Uiso 1 1 calc DR U . . .
H267 H 0.205565 0.342545 0.070655 0.188 Uiso 1 1 calc DR U . . .
C31C C 0.40844(19) 0.4106(2) 0.15656(7) 0.123(9) Uani 1 1 d DG U . . .
C32C C 0.4404(2) 0.4051(3) 0.18827(7) 0.123(9) Uani 1 1 d DG U . . .
H31 H 0.432973 0.418795 0.207326 0.148 Uiso 1 1 calc DR U . . .
C33C C 0.4833(3) 0.3795(3) 0.19209(7) 0.123(9) Uani 1 1 d DG U . . .
C34C C 0.4942(3) 0.3594(3) 0.16420(8) 0.123(9) Uani 1 1 d DG U . . .
H32 H 0.523492 0.341910 0.166811 0.147 Uiso 1 1 calc R U . . .
C35C C 0.4622(2) 0.36491(18) 0.13250(7) 0.122(9) Uani 1 1 d DG U . . .
C36C C 0.41934(19) 0.39050(18) 0.12868(6) 0.123(9) Uani 1 1 d DG U . . .
H33 H 0.397488 0.394262 0.107008 0.147 Uiso 1 1 calc DR U . . .
C37C C 0.47325(17) 0.34267(12) 0.10260(6) 0.122(9) Uani 1 1 d DG U . . .
C38C C 0.49145(18) 0.38019(10) 0.07971(6) 0.121(10) Uani 1 1 d DG U . . .
H34 H 0.496820 0.420095 0.083114 0.145 Uiso 1 1 calc R U . . .
C39C C 0.50179(19) 0.35931(11) 0.05185(6) 0.121(10) Uani 1 1 d DG U . . .
C40C C 0.4939(2) 0.30092(11) 0.04687(6) 0.121(10) Uani 1 1 d DG U . . .
H35 H 0.500998 0.286655 0.027827 0.145 Uiso 1 1 calc R U . . .
C41C C 0.4757(2) 0.26340(11) 0.06976(6) 0.121(10) Uani 1 1 d DG U . . .
C42C C 0.46540(19) 0.28427(11) 0.09762(6) 0.121(10) Uani 1 1 d DG U . . .
H36 H 0.452959 0.258632 0.113264 0.145 Uiso 1 1 calc DR U . . .
C43C C 0.52221(9) 0.40125(8) 0.02632(5) 0.122(12) Uani 1 1 d D U . . .
C44C C 0.58986(11) 0.46050(10) 0.04465(7) 0.124(16) Uani 1 1 d D U . . .
H268 H 0.583386 0.481761 0.062259 0.186 Uiso 1 1 calc R U . . .
H269 H 0.626090 0.450416 0.054753 0.186 Uiso 1 1 calc DR U . . .
H270 H 0.603158 0.487026 0.028603 0.186 Uiso 1 1 calc DR U . . .
C45C C 0.53197(14) 0.36756(11) -0.00141(5) 0.123(14) Uani 1 1 d D U . . .
H271 H 0.568571 0.357870 0.008597 0.184 Uiso 1 1 calc R U . . .
H272 H 0.488986 0.329621 -0.012784 0.184 Uiso 1 1 calc R U . . .
H273 H 0.544554 0.393744 -0.017687 0.184 Uiso 1 1 calc DR U . . .
C46C C 0.46475(11) 0.41665(12) 0.01079(9) 0.123(14) Uani 1 1 d D U . . .
H274 H 0.458743 0.438076 0.028524 0.184 Uiso 1 1 calc DR U . . .
H275 H 0.477247 0.442897 -0.005476 0.184 Uiso 1 1 calc DR U . . .
H276 H 0.421679 0.378774 -0.000573 0.184 Uiso 1 1 calc DR U . . .
C47C C 0.46760(17) 0.20094(9) 0.06461(5) 0.121(10) Uani 1 1 d DG U . . .
C48C C 0.45764(15) 0.17268(8) 0.03308(4) 0.121(10) Uani 1 1 d DG U . . .
H37 H 0.456083 0.193253 0.014753 0.145 Uiso 1 1 calc R U . . .
C49C C 0.44997(17) 0.11433(9) 0.02836(5) 0.121(11) Uani 1 1 d DG U . . .
C50C C 0.45225(18) 0.08423(10) 0.05518(5) 0.121(10) Uani 1 1 d DG U . . .
H38 H 0.447006 0.044347 0.051956 0.146 Uiso 1 1 calc R U . . .
C51C C 0.46221(17) 0.11249(10) 0.08671(5) 0.122(10) Uani 1 1 d DG U . . .
C52C C 0.46989(17) 0.17084(10) 0.09143(4) 0.122(10) Uani 1 1 d DG U . . .
H39 H 0.476694 0.190154 0.112978 0.146 Uiso 1 1 calc DR U . . .
C53C C 0.43889(9) 0.08279(7) -0.00685(4) 0.120(12) Uani 1 1 d D U . . .
C54C C 0.44272(18) 0.12739(9) -0.03118(4) 0.119(15) Uani 1 1 d D U . . .
H277 H 0.406680 0.138372 -0.032736 0.179 Uiso 1 1 calc DR U . . .
H278 H 0.487835 0.164384 -0.022873 0.179 Uiso 1 1 calc DR U . . .
H279 H 0.436079 0.107794 -0.053420 0.179 Uiso 1 1 calc DR U . . .
C55C C 0.49539(10) 0.06530(12) -0.00426(9) 0.121(14) Uani 1 1 d D U . . .
H280 H 0.540538 0.102284 0.003775 0.181 Uiso 1 1 calc DR U . . .
H281 H 0.493152 0.037389 0.011485 0.181 Uiso 1 1 calc DR U . . .
H282 H 0.488436 0.045107 -0.026409 0.181 Uiso 1 1 calc DR U . . .
C56C C 0.36775(9) 0.02489(10) -0.01947(6) 0.120(16) Uani 1 1 d D U . . .
H283 H 0.331991 0.036264 -0.021070 0.180 Uiso 1 1 calc DR U . . .
H284 H 0.360631 0.004648 -0.041635 0.180 Uiso 1 1 calc R U . . .
H285 H 0.365347 -0.003071 -0.003741 0.180 Uiso 1 1 calc R U . . .
C57C C 0.46485(11) 0.08040(9) 0.11552(6) 0.123(10) Uani 1 1 d DG U . . .
C58C C 0.50590(12) 0.05290(10) 0.12186(6) 0.124(10) Uani 1 1 d DG U . . .
H40 H 0.531894 0.054172 0.107669 0.149 Uiso 1 1 calc R U . . .
C59C C 0.50891(15) 0.02354(14) 0.14895(7) 0.125(10) Uani 1 1 d DG U . . .
C60C C 0.47088(18) 0.02168(18) 0.16971(7) 0.124(10) Uani 1 1 d DG U . . .
H41 H 0.472939 0.001619 0.188226 0.149 Uiso 1 1 calc R U . . .
C61C C 0.42983(18) 0.04918(18) 0.16337(7) 0.124(10) Uani 1 1 d DG U . . .
C62C C 0.42681(14) 0.07854(14) 0.13627(7) 0.124(10) Uani 1 1 d DG U . . .
H42 H 0.398756 0.097337 0.131942 0.149 Uiso 1 1 calc DR U . . .
C63C C 0.55483(9) -0.00710(7) 0.15615(4) 0.125(11) Uani 1 1 d D U . . .
C64C C 0.52371(13) -0.06078(9) 0.17377(6) 0.126(15) Uani 1 1 d D U . . .
H286 H 0.521847 -0.045439 0.194991 0.189 Uiso 1 1 calc DR U . . .
H287 H 0.477135 -0.090590 0.159284 0.189 Uiso 1 1 calc DR U . . .
H288 H 0.552338 -0.080469 0.178227 0.189 Uiso 1 1 calc DR U . . .
C65C C 0.62767(11) 0.04041(11) 0.17897(6) 0.127(15) Uani 1 1 d D U . . .
H289 H 0.625411 0.055371 0.200175 0.190 Uiso 1 1 calc DR U . . .
H290 H 0.656955 0.021367 0.183465 0.190 Uiso 1 1 calc DR U . . .
H291 H 0.646978 0.074737 0.167786 0.190 Uiso 1 1 calc DR U . . .
C66C C 0.55793(12) -0.03084(10) 0.12276(5) 0.125(14) Uani 1 1 d D U . . .
H292 H 0.511475 -0.061039 0.108337 0.188 Uiso 1 1 calc DR U . . .
H293 H 0.577154 0.003396 0.111504 0.188 Uiso 1 1 calc DR U . . .
H294 H 0.587131 -0.049974 0.127183 0.188 Uiso 1 1 calc DR U . . .
B1C B 0.37463(17) 0.0440(3) 0.24135(7) 0.123(10) Uani 1 1 d DG U . . .
O1C O 0.31398(17) 0.0463(3) 0.22897(6) 0.124(10) Uani 1 1 d DG U . . .
B2C B 0.29039(17) 0.0494(3) 0.19549(6) 0.124(9) Uani 1 1 d DG U . . .
O2C O 0.32744(19) 0.0502(2) 0.17441(6) 0.124(10) Uani 1 1 d DG U . . .
B3C B 0.38810(19) 0.0478(2) 0.18679(7) 0.124(9) Uani 1 1 d DG U . . .
O3C O 0.41169(18) 0.0447(2) 0.22026(8) 0.124(10) Uani 1 1 d DG U . . .
C1D C 0.6103(2) 0.3658(4) 0.26432(11) 0.124(9) Uani 1 1 d DG U . . .
C2D C 0.5807(2) 0.3615(4) 0.28934(9) 0.125(9) Uani 1 1 d DG U . . .
H13 H 0.602356 0.357476 0.310976 0.150 Uiso 1 1 calc R U . . .
C3D C 0.5194(2) 0.3631(4) 0.28270(8) 0.125(9) Uani 1 1 d DG U . . .
C4D C 0.4877(2) 0.3690(4) 0.25104(8) 0.124(9) Uani 1 1 d DG U . . .
H14 H 0.445838 0.370019 0.246502 0.149 Uiso 1 1 calc R U . . .
C5D C 0.5173(3) 0.3733(4) 0.22602(8) 0.124(9) Uani 1 1 d DG U . . .
C6D C 0.5786(3) 0.3717(4) 0.23267(10) 0.124(9) Uani 1 1 d DG U . . .
H15 H 0.598810 0.374685 0.215569 0.149 Uiso 1 1 calc R U . . .
B1E B 0.63430(16) 0.5166(2) 0.25509(6) 0.121(9) Uani 1 1 d DG U . . .
O1E O 0.68831(15) 0.5109(2) 0.27585(7) 0.122(10) Uani 1 1 d DG U . . .
B2E B 0.69103(14) 0.5031(2) 0.30851(7) 0.121(9) Uani 1 1 d DG U . . .
O2E O 0.63974(14) 0.5008(2) 0.32040(6) 0.122(10) Uani 1 1 d DG U . . .
B3E B 0.58574(14) 0.5065(2) 0.29963(6) 0.122(9) Uani 1 1 d DG U . . .
O3E O 0.58302(15) 0.5143(2) 0.26698(6) 0.122(10) Uani 1 1 d DG U . . .
C1E C 0.63041(11) 0.52415(12) 0.21844(5) 0.121(10) Uani 1 1 d DG U . . .
C2E C 0.59323(14) 0.55084(14) 0.20163(5) 0.121(10) Uani 1 1 d DG U . . .
H67 H 0.570989 0.565181 0.212745 0.145 Uiso 1 1 calc R U . . .
C3E C 0.58861(13) 0.55655(13) 0.16856(6) 0.121(10) Uani 1 1 d DG U . . .
C4E C 0.62115(12) 0.53557(13) 0.15230(5) 0.121(10) Uani 1 1 d DG U . . .
H68 H 0.617992 0.539472 0.129698 0.145 Uiso 1 1 calc DR U . . .
C5E C 0.65833(15) 0.50888(15) 0.16911(6) 0.120(10) Uani 1 1 d DG U . . .
C6E C 0.66295(14) 0.50317(14) 0.20217(6) 0.121(10) Uani 1 1 d DG U . . .
H69 H 0.688361 0.484923 0.213662 0.145 Uiso 1 1 calc DR U . . .
C7E C 0.54683(8) 0.58607(8) 0.14969(4) 0.121(11) Uani 1 1 d D U . . .
C8E C 0.58319(11) 0.62350(11) 0.12629(5) 0.123(15) Uani 1 1 d D U . . .
H295 H 0.585786 0.596438 0.109968 0.184 Uiso 1 1 calc DR U . . .
H296 H 0.557181 0.642479 0.114429 0.184 Uiso 1 1 calc DR U . . .
H297 H 0.629727 0.655416 0.139594 0.184 Uiso 1 1 calc DR U . . .
C9E C 0.47399(10) 0.53522(10) 0.12891(6) 0.121(16) Uani 1 1 d D U . . .
H298 H 0.477001 0.508486 0.112574 0.182 Uiso 1 1 calc DR U . . .
H299 H 0.451322 0.511178 0.143869 0.182 Uiso 1 1 calc DR U . . .
H300 H 0.447289 0.553633 0.117063 0.182 Uiso 1 1 calc DR U . . .
C10E C 0.54254(13) 0.62829(11) 0.17543(6) 0.122(14) Uani 1 1 d D U . . .
H301 H 0.589001 0.660556 0.188578 0.183 Uiso 1 1 calc DR U . . .
H302 H 0.515927 0.646827 0.163641 0.183 Uiso 1 1 calc DR U . . .
H303 H 0.519960 0.604372 0.190447 0.183 Uiso 1 1 calc DR U . . .
C11E C 0.69233(13) 0.48557(11) 0.15154(6) 0.120(10) Uani 1 1 d DG U . . .
C12E C 0.73323(14) 0.52227(10) 0.13400(7) 0.120(10) Uani 1 1 d DG U . . .
H70 H 0.739677 0.562367 0.133285 0.144 Uiso 1 1 calc R U . . .
C13E C 0.76468(15) 0.50029(10) 0.11750(8) 0.120(11) Uani 1 1 d DG U . . .
C14E C 0.75525(17) 0.44162(11) 0.11854(9) 0.120(10) Uani 1 1 d DG U . . .
H71 H 0.776745 0.426603 0.107270 0.144 Uiso 1 1 calc DR U . . .
C15E C 0.71435(18) 0.40492(11) 0.13608(9) 0.119(10) Uani 1 1 d DG U . . .
C16E C 0.68289(15) 0.42690(11) 0.15258(8) 0.120(10) Uani 1 1 d DG U . . .
H72 H 0.654945 0.401815 0.164563 0.144 Uiso 1 1 calc DR U . . .
C17E C 0.81031(9) 0.54126(8) 0.09790(5) 0.120(12) Uani 1 1 d D U . . .
C18E C 0.80110(15) 0.59809(8) 0.09517(9) 0.120(14) Uani 1 1 d D U . . .
H304 H 0.815163 0.621231 0.117713 0.181 Uiso 1 1 calc R U . . .
H305 H 0.829564 0.623977 0.082673 0.181 Uiso 1 1 calc DR U . . .
H306 H 0.752707 0.585233 0.083406 0.181 Uiso 1 1 calc DR U . . .
C19E C 0.88608(9) 0.56105(15) 0.11681(8) 0.120(15) Uani 1 1 d D U . . .
H307 H 0.899821 0.584332 0.139265 0.180 Uiso 1 1 calc DR U . . .
H308 H 0.891543 0.524720 0.118750 0.180 Uiso 1 1 calc DR U . . .
H309 H 0.915083 0.586703 0.104444 0.180 Uiso 1 1 calc DR U . . .
C20E C 0.78831(18) 0.50463(12) 0.06256(5) 0.121(15) Uani 1 1 d D U . . .
H310 H 0.794269 0.468537 0.064432 0.181 Uiso 1 1 calc R U . . .
H311 H 0.739903 0.491656 0.050753 0.181 Uiso 1 1 calc R U . . .
H312 H 0.816760 0.530400 0.050021 0.181 Uiso 1 1 calc DR U . . .
C21E C 0.70418(14) 0.34210(10) 0.13728(6) 0.119(10) Uani 1 1 d DG U . . .
C22E C 0.72022(16) 0.31400(10) 0.11456(7) 0.118(10) Uani 1 1 d DG U . . .
H73 H 0.737828 0.334938 0.098266 0.142 Uiso 1 1 calc DR U . . .
C23E C 0.71049(19) 0.25525(11) 0.11569(8) 0.118(10) Uani 1 1 d DG U . . .
C24E C 0.6847(2) 0.22461(12) 0.13953(9) 0.118(10) Uani 1 1 d DG U . . .
H74 H 0.678064 0.184467 0.140303 0.141 Uiso 1 1 calc R U . . .
C25E C 0.6687(2) 0.25272(14) 0.16225(9) 0.117(9) Uani 1 1 d DG U . . .
C26E C 0.67841(19) 0.31146(13) 0.16113(7) 0.118(10) Uani 1 1 d DG U . . .
H75 H 0.667451 0.330664 0.176653 0.141 Uiso 1 1 calc DR U . . .
C27E C 0.72840(10) 0.22387(8) 0.09032(5) 0.118(11) Uani 1 1 d D U . . .
C28E C 0.66195(11) 0.16811(11) 0.06722(8) 0.119(15) Uani 1 1 d D U . . .
H313 H 0.630236 0.181609 0.054937 0.179 Uiso 1 1 calc R U . . .
H314 H 0.673029 0.147956 0.051251 0.179 Uiso 1 1 calc DR U . . .
H315 H 0.640321 0.139282 0.080779 0.179 Uiso 1 1 calc DR U . . .
C29E C 0.76218(16) 0.26984(11) 0.06924(6) 0.118(15) Uani 1 1 d D U . . .
H316 H 0.730084 0.282952 0.056946 0.177 Uiso 1 1 calc DR U . . .
H317 H 0.804070 0.305483 0.084074 0.177 Uiso 1 1 calc DR U . . .
H318 H 0.773893 0.250331 0.053280 0.177 Uiso 1 1 calc DR U . . .
C30E C 0.77854(12) 0.20303(11) 0.10972(8) 0.118(13) Uani 1 1 d D U . . .
H319 H 0.820713 0.238666 0.124372 0.177 Uiso 1 1 calc DR U . . .
H320 H 0.757053 0.174248 0.123332 0.177 Uiso 1 1 calc DR U . . .
H321 H 0.789761 0.182923 0.093803 0.177 Uiso 1 1 calc DR U . . .
C31E C 0.6412(2) 0.22000(19) 0.18786(10) 0.116(9) Uani 1 1 d DG U . . .
C32E C 0.5844(2) 0.2194(2) 0.19336(10) 0.116(9) Uani 1 1 d DG U . . .
H76 H 0.563045 0.239734 0.180723 0.139 Uiso 1 1 calc R U . . .
C33E C 0.5590(2) 0.1890(2) 0.21734(10) 0.116(9) Uani 1 1 d DG U . . .
C34E C 0.59024(17) 0.1593(2) 0.23583(9) 0.115(9) Uani 1 1 d DG U . . .
H77 H 0.572826 0.138505 0.252225 0.138 Uiso 1 1 calc R U . . .
C35E C 0.64702(14) 0.15987(17) 0.23034(9) 0.115(9) Uani 1 1 d DG U . . .
C36E C 0.67250(17) 0.19023(17) 0.20635(10) 0.116(9) Uani 1 1 d DG U . . .
H78 H 0.711302 0.190648 0.202599 0.139 Uiso 1 1 calc R U . . .
C37E C 0.68063(8) 0.12800(11) 0.25008(8) 0.114(9) Uani 1 1 d DG U . . .
C38E C 0.75123(8) 0.15889(8) 0.26643(7) 0.112(10) Uani 1 1 d DG U . . .
H79 H 0.777976 0.200382 0.265120 0.135 Uiso 1 1 calc R U . . .
C39E C 0.78271(7) 0.12905(8) 0.28470(7) 0.112(10) Uani 1 1 d DG U . . .
C40E C 0.74359(7) 0.06834(9) 0.28662(7) 0.112(10) Uani 1 1 d DG U . . .
H80 H 0.765103 0.047946 0.299100 0.134 Uiso 1 1 calc R U . . .
C41E C 0.67298(7) 0.03745(9) 0.27027(8) 0.112(10) Uani 1 1 d DG U . . .
C42E C 0.64150(7) 0.06729(11) 0.25200(8) 0.113(10) Uani 1 1 d DG U . . .
H81 H 0.593244 0.046180 0.240825 0.136 Uiso 1 1 calc DR U . . .
C43E C 0.86154(7) 0.16361(6) 0.30302(4) 0.111(12) Uani 1 1 d D U . . .
C44E C 0.89312(9) 0.22661(8) 0.29309(7) 0.111(15) Uani 1 1 d D U . . .
H322 H 0.884071 0.221098 0.268790 0.166 Uiso 1 1 calc DR U . . .
H323 H 0.872524 0.250089 0.299427 0.166 Uiso 1 1 calc DR U . . .
H324 H 0.942864 0.248737 0.304717 0.166 Uiso 1 1 calc R U . . .
C45E C 0.89292(8) 0.12606(8) 0.29269(6) 0.112(14) Uani 1 1 d D U . . .
H325 H 0.872668 0.086033 0.299063 0.167 Uiso 1 1 calc DR U . . .
H326 H 0.883307 0.120436 0.268351 0.167 Uiso 1 1 calc DR U . . .
H327 H 0.942751 0.147829 0.304071 0.167 Uiso 1 1 calc DR U . . .
C46E C 0.87555(14) 0.17188(10) 0.34119(4) 0.112(15) Uani 1 1 d D U . . .
H328 H 0.855367 0.131674 0.347379 0.167 Uiso 1 1 calc DR U . . .
H329 H 0.925274 0.193935 0.352879 0.167 Uiso 1 1 calc DR U . . .
H330 H 0.854934 0.195286 0.347589 0.167 Uiso 1 1 calc DR U . . .
C47E C 0.63096(7) -0.02729(7) 0.27270(5) 0.112(10) Uani 1 1 d DG U . . .
C48E C 0.66048(6) -0.06485(7) 0.27799(5) 0.112(10) Uani 1 1 d DG U . . .
H82 H 0.707233 -0.049465 0.279531 0.135 Uiso 1 1 calc R U . . .
C49E C 0.62160(7) -0.12491(7) 0.28101(7) 0.112(10) Uani 1 1 d DG U . . .
C50E C 0.55320(7) -0.14742(7) 0.27875(5) 0.112(10) Uani 1 1 d DG U . . .
H83 H 0.526623 -0.188476 0.280822 0.135 Uiso 1 1 calc DR U . . .
C51E C 0.52367(6) -0.10987(8) 0.27347(4) 0.112(10) Uani 1 1 d DG U . . .
C52E C 0.56255(7) -0.04980(8) 0.27044(5) 0.112(10) Uani 1 1 d DG U . . .
H84 H 0.542376 -0.024136 0.266829 0.135 Uiso 1 1 calc R U . . .
C53E C 0.65473(7) -0.16675(7) 0.28682(4) 0.112(11) Uani 1 1 d D U . . .
C54E C 0.73035(7) -0.13024(9) 0.28841(9) 0.113(14) Uani 1 1 d D U . . .
H331 H 0.732473 -0.116456 0.267174 0.169 Uiso 1 1 calc R U . . .
H332 H 0.755102 -0.094652 0.306828 0.169 Uiso 1 1 calc R U . . .
H333 H 0.751605 -0.156365 0.292226 0.169 Uiso 1 1 calc R U . . .
C55E C 0.65096(17) -0.18857(13) 0.32010(5) 0.112(15) Uani 1 1 d D U . . .
H334 H 0.676157 -0.153092 0.338606 0.168 Uiso 1 1 calc DR U . . .
H335 H 0.602785 -0.211273 0.319083 0.168 Uiso 1 1 calc DR U . . .
H336 H 0.671522 -0.215245 0.323809 0.168 Uiso 1 1 calc DR U . . .
C56E C 0.61523(12) -0.22226(9) 0.25760(6) 0.113(15) Uani 1 1 d D U . . .
H337 H 0.617782 -0.208137 0.236487 0.169 Uiso 1 1 calc DR U . . .
H338 H 0.635747 -0.248979 0.261226 0.169 Uiso 1 1 calc R U . . .
H339 H 0.567010 -0.245007 0.256500 0.169 Uiso 1 1 calc R U . . .
C57E C 0.45036(7) -0.13433(8) 0.27035(4) 0.112(10) Uani 1 1 d DG U . . .
C58E C 0.42631(6) -0.16284(9) 0.29513(4) 0.112(11) Uani 1 1 d DG U . . .
H85 H 0.456764 -0.166845 0.313865 0.134 Uiso 1 1 calc DR U . . .
C59E C 0.35771(6) -0.18550(6) 0.29252(3) 0.112(11) Uani 1 1 d DG U . . .
C60E C 0.31316(7) -0.17964(9) 0.26511(3) 0.111(10) Uani 1 1 d DG U . . .
H86 H 0.266270 -0.195127 0.263323 0.134 Uiso 1 1 calc DR U . . .
C61E C 0.33720(10) -0.15113(13) 0.24032(4) 0.111(10) Uani 1 1 d DG U . . .
C62E C 0.40580(10) -0.12847(11) 0.24294(4) 0.112(10) Uani 1 1 d DG U . . .
H87 H 0.422238 -0.108988 0.226001 0.134 Uiso 1 1 calc DR U . . .
C63E C 0.32918(5) -0.22008(6) 0.31911(3) 0.111(12) Uani 1 1 d D U . . .
C64E C 0.38176(6) -0.18659(10) 0.35431(3) 0.111(16) Uani 1 1 d D U . . .
H340 H 0.389308 -0.144806 0.358513 0.167 Uiso 1 1 calc DR U . . .
H341 H 0.364126 -0.208419 0.371178 0.167 Uiso 1 1 calc DR U . . .
H342 H 0.425316 -0.185233 0.355621 0.167 Uiso 1 1 calc DR U . . .
C65E C 0.26089(6) -0.22162(7) 0.31668(3) 0.111(14) Uani 1 1 d D U . . .
H343 H 0.227618 -0.242965 0.294246 0.166 Uiso 1 1 calc DR U . . .
H344 H 0.242812 -0.243162 0.333527 0.166 Uiso 1 1 calc DR U . . .
H345 H 0.268768 -0.179693 0.320715 0.166 Uiso 1 1 calc R U . . .
C66E C 0.31704(7) -0.28582(6) 0.31230(6) 0.111(15) Uani 1 1 d D U . . .
H346 H 0.283559 -0.306924 0.289883 0.166 Uiso 1 1 calc DR U . . .
H347 H 0.360508 -0.284586 0.313561 0.166 Uiso 1 1 calc DR U . . .
H348 H 0.299318 -0.307772 0.329119 0.166 Uiso 1 1 calc DR U . . .
C1F C 0.75031(9) 0.49542(15) 0.33146(6) 0.121(10) Uani 1 1 d DG U . . .
C2F C 0.81332(9) 0.51980(15) 0.32603(6) 0.121(10) Uani 1 1 d DG U . . .
H88 H 0.820265 0.541574 0.308330 0.145 Uiso 1 1 calc R U . . .
C3F C 0.86616(8) 0.51233(14) 0.34651(6) 0.121(11) Uani 1 1 d DG U . . .
C4F C 0.85600(9) 0.48048(14) 0.37242(6) 0.120(10) Uani 1 1 d DG U . . .
H89 H 0.892118 0.475373 0.386411 0.144 Uiso 1 1 calc R U . . .
C5F C 0.79299(10) 0.45610(15) 0.37784(7) 0.119(10) Uani 1 1 d DG U . . .
C6F C 0.74014(9) 0.46357(15) 0.35737(6) 0.120(10) Uani 1 1 d DG U . . .
H90 H 0.697080 0.446905 0.361075 0.144 Uiso 1 1 calc R U . . .
C7F C 0.93630(8) 0.53925(8) 0.34028(4) 0.122(12) Uani 1 1 d D U . . .
C8F C 0.93148(14) 0.49499(11) 0.31201(6) 0.123(14) Uani 1 1 d D U . . .
H349 H 0.895751 0.489854 0.291418 0.184 Uiso 1 1 calc DR U . . .
H350 H 0.975786 0.511700 0.308083 0.184 Uiso 1 1 calc DR U . . .
H351 H 0.919849 0.455241 0.318551 0.184 Uiso 1 1 calc DR U . . .
C9F C 0.95370(13) 0.60161(8) 0.32999(8) 0.122(15) Uani 1 1 d D U . . .
H352 H 0.917895 0.596122 0.309332 0.182 Uiso 1 1 calc R U . . .
H353 H 0.956150 0.629455 0.347920 0.182 Uiso 1 1 calc DR U . . .
H354 H 0.998125 0.618909 0.326156 0.182 Uiso 1 1 calc DR U . . .
C10F C 0.99239(8) 0.54754(13) 0.37274(5) 0.123(15) Uani 1 1 d D U . . .
H355 H 0.981112 0.507773 0.379195 0.184 Uiso 1 1 calc DR U . . .
H356 H 1.036857 0.564780 0.368959 0.184 Uiso 1 1 calc DR U . . .
H357 H 0.994882 0.575326 0.390723 0.184 Uiso 1 1 calc DR U . . .
C11F C 0.78160(10) 0.42141(12) 0.40532(4) 0.117(10) Uani 1 1 d DG U . . .
C12F C 0.83072(9) 0.44427(9) 0.43710(5) 0.116(11) Uani 1 1 d DG U . . .
H91 H 0.871962 0.481899 0.441255 0.139 Uiso 1 1 calc DR U . . .
C13F C 0.81950(9) 0.41206(8) 0.46279(4) 0.115(11) Uani 1 1 d DG U . . .
C14F C 0.75915(9) 0.35700(9) 0.45670(4) 0.115(11) Uani 1 1 d DG U . . .
H92 H 0.751481 0.334991 0.474263 0.138 Uiso 1 1 calc R U . . .
C15F C 0.71003(9) 0.33414(11) 0.42493(5) 0.116(10) Uani 1 1 d DG U . . .
C16F C 0.72125(10) 0.36634(12) 0.39924(4) 0.116(10) Uani 1 1 d DG U . . .
H93 H 0.687674 0.350719 0.377522 0.139 Uiso 1 1 calc DR U . . .
C17F C 0.87417(8) 0.43763(7) 0.49828(4) 0.115(12) Uani 1 1 d D U . . .
C18F C 0.92477(9) 0.41296(10) 0.50080(5) 0.115(14) Uani 1 1 d D U . . .
H358 H 0.899662 0.368191 0.497075 0.173 Uiso 1 1 calc DR U . . .
H359 H 0.947248 0.425774 0.483781 0.173 Uiso 1 1 calc DR U . . .
H360 H 0.959590 0.429202 0.523153 0.173 Uiso 1 1 calc DR U . . .
C19F C 0.83799(10) 0.41698(12) 0.52469(4) 0.115(15) Uani 1 1 d D U . . .
H361 H 0.813166 0.372203 0.520887 0.173 Uiso 1 1 calc DR U . . .
H362 H 0.872328 0.433249 0.547176 0.173 Uiso 1 1 calc DR U . . .
H363 H 0.805448 0.432350 0.522817 0.173 Uiso 1 1 calc DR U . . .
C20F C 0.91331(12) 0.50800(7) 0.50412(5) 0.115(15) Uani 1 1 d D U . . .
H364 H 0.936243 0.520928 0.487270 0.172 Uiso 1 1 calc DR U . . .
H365 H 0.880854 0.523469 0.502221 0.172 Uiso 1 1 calc DR U . . .
H366 H 0.947733 0.524368 0.526580 0.172 Uiso 1 1 calc DR U . . .
C21F C 0.64524(12) 0.27523(10) 0.41836(6) 0.115(10) Uani 1 1 d DG U . . .
C22F C 0.64065(12) 0.23554(11) 0.44073(5) 0.115(10) Uani 1 1 d DG U . . .
H94 H 0.678790 0.246042 0.460247 0.139 Uiso 1 1 calc R U . . .
C23F C 0.58025(12) 0.18047(11) 0.43454(6) 0.116(10) Uani 1 1 d DG U . . .
C24F C 0.52444(11) 0.16510(13) 0.40598(7) 0.116(10) Uani 1 1 d DG U . . .
H95 H 0.483166 0.127470 0.401743 0.139 Uiso 1 1 calc R U . . .
C25F C 0.52903(12) 0.20479(15) 0.38361(8) 0.115(9) Uani 1 1 d DG U . . .
C26F C 0.58943(12) 0.25986(13) 0.38980(7) 0.115(10) Uani 1 1 d DG U . . .
H96 H 0.592570 0.286982 0.374519 0.139 Uiso 1 1 calc DR U . . .
C27F C 0.57520(8) 0.13613(8) 0.45946(5) 0.116(11) Uani 1 1 d D U . . .
C28F C 0.55582(14) 0.15573(15) 0.48827(6) 0.116(14) Uani 1 1 d D U . . .
H367 H 0.591299 0.197381 0.500021 0.174 Uiso 1 1 calc DR U . . .
H368 H 0.511537 0.154611 0.479115 0.174 Uiso 1 1 calc DR U . . .
H369 H 0.552293 0.127677 0.504013 0.174 Uiso 1 1 calc DR U . . .
C29F C 0.64521(10) 0.13855(13) 0.47363(9) 0.116(14) Uani 1 1 d D U . . .
H370 H 0.657329 0.126045 0.455219 0.175 Uiso 1 1 calc DR U . . .
H371 H 0.680499 0.180362 0.485189 0.175 Uiso 1 1 calc DR U . . .
H372 H 0.642336 0.110773 0.489500 0.175 Uiso 1 1 calc R U . . .
C30F C 0.51963(12) 0.07067(8) 0.44087(7) 0.116(15) Uani 1 1 d D U . . .
H373 H 0.532165 0.058396 0.422568 0.174 Uiso 1 1 calc R U . . .
H374 H 0.516063 0.042526 0.456560 0.174 Uiso 1 1 calc DR U . . .
H375 H 0.475308 0.069460 0.431662 0.174 Uiso 1 1 calc R U . . .
C31F C 0.46926(11) 0.18799(19) 0.35285(8) 0.115(9) Uani 1 1 d DG U . . .
C32F C 0.47876(13) 0.1931(3) 0.32178(9) 0.115(9) Uani 1 1 d DG U . . .
H97 H 0.523512 0.208280 0.320186 0.138 Uiso 1 1 calc R U . . .
C33F C 0.42277(16) 0.1761(3) 0.29303(8) 0.115(9) Uani 1 1 d DG U . . .
C34F C 0.35729(13) 0.1539(3) 0.29535(6) 0.115(9) Uani 1 1 d DG U . . .
H98 H 0.319029 0.142290 0.275703 0.138 Uiso 1 1 calc R U . . .
C35F C 0.34779(10) 0.14879(16) 0.32643(6) 0.115(9) Uani 1 1 d DG U . . .
C36F C 0.40377(12) 0.16582(12) 0.35517(6) 0.115(9) Uani 1 1 d DG U . . .
H99 H 0.397281 0.162309 0.376412 0.138 Uiso 1 1 calc DR U . . .
C37F C 0.27748(9) 0.12440(11) 0.32889(6) 0.115(10) Uani 1 1 d DG U . . .
C38F C 0.26474(10) 0.15843(9) 0.35016(6) 0.115(10) Uani 1 1 d DG U . . .
H100 H 0.300731 0.197277 0.362952 0.138 Uiso 1 1 calc DR U . . .
C39F C 0.19936(11) 0.13560(9) 0.35270(6) 0.115(10) Uani 1 1 d DG U . . .
C40F C 0.14670(9) 0.07876(11) 0.33397(7) 0.115(10) Uani 1 1 d DG U . . .
H101 H 0.102015 0.063163 0.335710 0.138 Uiso 1 1 calc R U . . .
C41F C 0.15944(10) 0.04474(12) 0.31271(7) 0.114(10) Uani 1 1 d DG U . . .
C42F C 0.22482(10) 0.06756(11) 0.31017(7) 0.115(10) Uani 1 1 d DG U . . .
H102 H 0.233527 0.044303 0.295631 0.138 Uiso 1 1 calc DR U . . .
C43F C 0.18538(8) 0.17323(8) 0.37633(5) 0.116(11) Uani 1 1 d D U . . .
C44F C 0.22690(13) 0.24181(8) 0.37584(7) 0.116(15) Uani 1 1 d D U . . .
H376 H 0.276062 0.254651 0.383266 0.174 Uiso 1 1 calc DR U . . .
H377 H 0.212990 0.248632 0.352983 0.174 Uiso 1 1 calc R U . . .
H378 H 0.218028 0.265702 0.390942 0.174 Uiso 1 1 calc DR U . . .
C45F C 0.20713(18) 0.16268(12) 0.41238(4) 0.115(15) Uani 1 1 d D U . . .
H379 H 0.256266 0.175406 0.419864 0.173 Uiso 1 1 calc R U . . .
H380 H 0.198303 0.186744 0.427408 0.173 Uiso 1 1 calc R U . . .
H381 H 0.180649 0.119176 0.412771 0.173 Uiso 1 1 calc DR U . . .
C46F C 0.10799(8) 0.15314(14) 0.36462(9) 0.116(14) Uani 1 1 d D U . . .
H382 H 0.081535 0.109595 0.364924 0.174 Uiso 1 1 calc R U . . .
H383 H 0.099167 0.177070 0.379735 0.174 Uiso 1 1 calc R U . . .
H384 H 0.094129 0.160000 0.341776 0.174 Uiso 1 1 calc R U . . .
C47F C 0.10301(10) -0.01665(12) 0.29311(6) 0.114(10) Uani 1 1 d DG U . . .
C48F C 0.04902(10) -0.05016(14) 0.30495(6) 0.114(11) Uani 1 1 d DG U . . .
H103 H 0.048125 -0.033898 0.325432 0.136 Uiso 1 1 calc R U . . .
C49F C -0.00366(12) -0.10746(14) 0.28683(6) 0.113(11) Uani 1 1 d DG U . . .
C50F C -0.00235(12) -0.13126(12) 0.25687(6) 0.113(11) Uani 1 1 d DG U . . .
H104 H -0.038352 -0.170423 0.244485 0.136 Uiso 1 1 calc R U . . .
C51F C 0.05164(12) -0.09775(12) 0.24502(6) 0.113(10) Uani 1 1 d DG U . . .
C52F C 0.10432(11) -0.04045(12) 0.26314(6) 0.113(10) Uani 1 1 d DG U . . .
H105 H 0.141226 -0.017551 0.255047 0.136 Uiso 1 1 calc DR U . . .
C53F C -0.06259(13) -0.14429(16) 0.29984(7) 0.113(12) Uani 1 1 d D U . . .
C54F C -0.04879(16) -0.1114(2) 0.33515(8) 0.113(15) Uani 1 1 d D U . . .
H385 H -0.087093 -0.135558 0.343243 0.170 Uiso 1 1 calc R U . . .
H386 H -0.006105 -0.106966 0.350645 0.170 Uiso 1 1 calc R U . . .
H387 H -0.044438 -0.070867 0.333895 0.170 Uiso 1 1 calc R U . . .
C55F C -0.13086(12) -0.15185(15) 0.27586(9) 0.114(15) Uani 1 1 d D U . . .
H388 H -0.168415 -0.175627 0.284503 0.171 Uiso 1 1 calc DR U . . .
H389 H -0.126769 -0.111445 0.274415 0.171 Uiso 1 1 calc DR U . . .
H390 H -0.140573 -0.173245 0.253519 0.171 Uiso 1 1 calc DR U . . .
C56F C -0.07050(17) -0.20864(17) 0.30224(9) 0.113(15) Uani 1 1 d D U . . .
H391 H -0.108594 -0.231920 0.310635 0.169 Uiso 1 1 calc R U . . .
H392 H -0.080032 -0.230193 0.279963 0.169 Uiso 1 1 calc DR U . . .
H393 H -0.027871 -0.204492 0.317625 0.169 Uiso 1 1 calc R U . . .
C57F C 0.05345(10) -0.12362(10) 0.21310(4) 0.112(10) Uani 1 1 d DG U . . .
C58F C -0.00377(9) -0.14698(13) 0.18430(4) 0.111(10) Uani 1 1 d DG U . . .
H106 H -0.044331 -0.146791 0.184965 0.134 Uiso 1 1 calc DR U . . .
C59F C -0.00165(10) -0.17062(13) 0.15453(4) 0.111(11) Uani 1 1 d DG U . . .
C60F C 0.05770(12) -0.17090(14) 0.15355(4) 0.111(10) Uani 1 1 d DG U . . .
H107 H 0.059150 -0.187051 0.133201 0.133 Uiso 1 1 calc DR U . . .
C61F C 0.11492(11) -0.14754(13) 0.18235(4) 0.111(10) Uani 1 1 d DG U . . .
C62F C 0.11280(10) -0.12390(9) 0.21212(4) 0.112(10) Uani 1 1 d DG U . . .
H108 H 0.151912 -0.107936 0.231802 0.134 Uiso 1 1 calc DR U . . .
C63F C -0.06541(8) -0.19650(8) 0.12236(4) 0.111(12) Uani 1 1 d D U . . .
C64F C -0.10336(9) -0.15971(9) 0.12254(9) 0.111(14) Uani 1 1 d D U . . .
H394 H -0.072519 -0.116674 0.122958 0.166 Uiso 1 1 calc DR U . . .
H395 H -0.143864 -0.176077 0.102317 0.166 Uiso 1 1 calc DR U . . .
H396 H -0.117841 -0.162978 0.142455 0.166 Uiso 1 1 calc DR U . . .
C65F C -0.11361(13) -0.26422(7) 0.12170(7) 0.111(15) Uani 1 1 d D U . . .
H397 H -0.089269 -0.287445 0.121584 0.166 Uiso 1 1 calc DR U . . .
H398 H -0.128103 -0.267604 0.141613 0.166 Uiso 1 1 calc DR U . . .
H399 H -0.154127 -0.280703 0.101475 0.166 Uiso 1 1 calc DR U . . .
C66F C -0.04172(12) -0.19092(16) 0.09133(4) 0.110(15) Uani 1 1 d D U . . .
H400 H -0.011079 -0.147777 0.091855 0.166 Uiso 1 1 calc DR U . . .
H401 H -0.017116 -0.213967 0.091466 0.166 Uiso 1 1 calc DR U . . .
H402 H -0.081879 -0.207455 0.070939 0.166 Uiso 1 1 calc DR U . . .
C1G C 0.52776(10) 0.50280(13) 0.31257(4) 0.121(10) Uani 1 1 d DG U . . .
C2G C 0.53966(7) 0.51593(12) 0.34678(4) 0.121(10) Uani 1 1 d DG U . . .
H109 H 0.583487 0.527151 0.362357 0.146 Uiso 1 1 calc R U . . .
C3G C 0.48745(7) 0.51265(12) 0.35821(3) 0.122(11) Uani 1 1 d DG U . . .
C4G C 0.42333(7) 0.49624(12) 0.33542(4) 0.121(10) Uani 1 1 d DG U . . .
H110 H 0.387637 0.493993 0.343229 0.145 Uiso 1 1 calc R U . . .
C5G C 0.41142(9) 0.48310(13) 0.30121(4) 0.121(10) Uani 1 1 d DG U . . .
C6G C 0.46364(11) 0.48638(15) 0.28978(4) 0.121(10) Uani 1 1 d DG U . . .
H111 H 0.455508 0.477405 0.266401 0.146 Uiso 1 1 calc DR U . . .
C7G C 0.50085(7) 0.52731(7) 0.39643(4) 0.122(12) Uani 1 1 d D U . . .
C8G C 0.48480(12) 0.46840(8) 0.41060(5) 0.123(15) Uani 1 1 d D U . . .
H403 H 0.514695 0.452777 0.406896 0.185 Uiso 1 1 calc DR U . . .
H404 H 0.492879 0.477352 0.434701 0.185 Uiso 1 1 calc DR U . . .
H405 H 0.436624 0.437591 0.399205 0.185 Uiso 1 1 calc DR U . . .
C9G C 0.57678(7) 0.57567(9) 0.41386(4) 0.123(16) Uani 1 1 d D U . . .
H406 H 0.606323 0.559637 0.410147 0.184 Uiso 1 1 calc DR U . . .
H407 H 0.586894 0.612841 0.404537 0.184 Uiso 1 1 calc DR U . . .
H408 H 0.585439 0.585300 0.437985 0.184 Uiso 1 1 calc DR U . . .
C10G C 0.45407(9) 0.55216(10) 0.40215(6) 0.122(14) Uani 1 1 d D U . . .
H409 H 0.464479 0.589628 0.393093 0.183 Uiso 1 1 calc DR U . . .
H410 H 0.405850 0.521459 0.390746 0.183 Uiso 1 1 calc DR U . . .
H411 H 0.462105 0.561220 0.426242 0.183 Uiso 1 1 calc DR U . . .
C11G C 0.34310(8) 0.46504(9) 0.27698(5) 0.121(10) Uani 1 1 d DG U . . .
C12G C 0.30939(9) 0.49746(10) 0.28059(5) 0.121(10) Uani 1 1 d DG U . . .
H112 H 0.329902 0.530774 0.298872 0.145 Uiso 1 1 calc R U . . .
C13G C 0.24566(10) 0.48114(11) 0.25743(5) 0.120(10) Uani 1 1 d DG U . . .
C14G C 0.21564(11) 0.43239(13) 0.23068(6) 0.120(10) Uani 1 1 d DG U . . .
H113 H 0.172080 0.421236 0.214850 0.144 Uiso 1 1 calc DR U . . .
C15G C 0.24935(11) 0.39997(14) 0.22707(7) 0.120(10) Uani 1 1 d DG U . . .
C16G C 0.31308(9) 0.41629(11) 0.25023(6) 0.120(10) Uani 1 1 d DG U . . .
H114 H 0.336124 0.394133 0.247766 0.144 Uiso 1 1 calc DR U . . .
C17G C 0.20796(8) 0.51729(8) 0.26148(4) 0.121(11) Uani 1 1 d D U . . .
C18G C 0.23460(11) 0.54891(12) 0.29846(4) 0.122(14) Uani 1 1 d D U . . .
H412 H 0.284113 0.577279 0.305121 0.183 Uiso 1 1 calc DR U . . .
H413 H 0.210722 0.571578 0.301183 0.183 Uiso 1 1 calc DR U . . .
H414 H 0.225923 0.518003 0.312612 0.183 Uiso 1 1 calc DR U . . .
C19G C 0.13015(8) 0.47262(13) 0.25082(7) 0.121(14) Uani 1 1 d D U . . .
H415 H 0.113463 0.452627 0.227277 0.182 Uiso 1 1 calc DR U . . .
H416 H 0.121343 0.441612 0.264907 0.182 Uiso 1 1 calc DR U . . .
H417 H 0.106141 0.495186 0.253477 0.182 Uiso 1 1 calc DR U . . .
C20G C 0.22234(18) 0.56565(11) 0.23912(6) 0.121(15) Uani 1 1 d D U . . .
H418 H 0.205298 0.545309 0.215623 0.181 Uiso 1 1 calc R U . . .
H419 H 0.198910 0.588811 0.241704 0.181 Uiso 1 1 calc DR U . . .
H420 H 0.271950 0.593608 0.245793 0.181 Uiso 1 1 calc DR U . . .
C21G C 0.21679(8) 0.34705(13) 0.19815(6) 0.119(10) Uani 1 1 d DG U . . .
C22G C 0.14812(8) 0.32304(11) 0.17891(6) 0.120(10) Uani 1 1 d DG U . . .
H115 H 0.121873 0.340216 0.183911 0.143 Uiso 1 1 calc DR U . . .
C23G C 0.11785(9) 0.27391(11) 0.15235(6) 0.120(10) Uani 1 1 d DG U . . .
C24G C 0.15626(12) 0.24878(14) 0.14503(6) 0.119(10) Uani 1 1 d DG U . . .
H116 H 0.135573 0.215200 0.126884 0.143 Uiso 1 1 calc R U . . .
C25G C 0.22493(12) 0.27279(17) 0.16427(7) 0.119(9) Uani 1 1 d DG U . . .
C26G C 0.25519(10) 0.32193(16) 0.19083(7) 0.119(10) Uani 1 1 d DG U . . .
H117 H 0.302126 0.338338 0.203976 0.143 Uiso 1 1 calc DR U . . .
C27G C 0.04135(8) 0.24730(7) 0.13061(4) 0.120(11) Uani 1 1 d D U . . .
C28G C 0.01344(7) 0.28752(9) 0.14155(6) 0.120(14) Uani 1 1 d D U . . .
H421 H 0.016817 0.287695 0.165202 0.180 Uiso 1 1 calc DR U . . .
H422 H 0.040516 0.329388 0.138636 0.180 Uiso 1 1 calc DR U . . .
H423 H -0.034770 0.271074 0.127789 0.180 Uiso 1 1 calc DR U . . .
C29G C 0.03622(13) 0.24679(13) 0.09345(4) 0.121(15) Uani 1 1 d D U . . .
H424 H 0.054041 0.221142 0.086615 0.182 Uiso 1 1 calc DR U . . .
H425 H -0.011958 0.230287 0.079628 0.182 Uiso 1 1 calc DR U . . .
H426 H 0.063327 0.288602 0.090475 0.182 Uiso 1 1 calc DR U . . .
C30G C -0.00029(15) 0.18161(7) 0.13559(7) 0.121(15) Uani 1 1 d D U . . .
H427 H 0.003137 0.182183 0.159260 0.182 Uiso 1 1 calc DR U . . .
H428 H -0.048589 0.164489 0.121786 0.182 Uiso 1 1 calc DR U . . .
H429 H 0.018081 0.156352 0.128890 0.182 Uiso 1 1 calc DR U . . .
C31G C 0.26582(18) 0.2449(2) 0.15705(6) 0.118(9) Uani 1 1 d DG U . . .
C32G C 0.3133(2) 0.2401(3) 0.18339(5) 0.118(9) Uani 1 1 d DG U . . .
H118 H 0.319804 0.254696 0.205898 0.142 Uiso 1 1 calc R U . . .
C33G C 0.3513(3) 0.2139(3) 0.17680(6) 0.117(9) Uani 1 1 d DG U . . .
C34G C 0.3418(2) 0.1926(2) 0.14387(7) 0.118(9) Uani 1 1 d DG U . . .
H119 H 0.367827 0.174723 0.139359 0.142 Uiso 1 1 calc DR U . . .
C35G C 0.29434(19) 0.19741(17) 0.11753(6) 0.118(9) Uani 1 1 d DG U . . .
C36G C 0.25633(17) 0.22357(18) 0.12412(5) 0.118(9) Uani 1 1 d DG U . . .
H120 H 0.223861 0.226856 0.106123 0.142 Uiso 1 1 calc DR U . . .
C37G C 0.28442(18) 0.17454(11) 0.08234(5) 0.119(9) Uani 1 1 d DG U . . .
C38G C 0.29203(19) 0.21342(10) 0.05945(6) 0.119(10) Uani 1 1 d DG U . . .
H121 H 0.302995 0.254476 0.066203 0.143 Uiso 1 1 calc R U . . .
C39G C 0.28361(19) 0.19225(9) 0.02667(5) 0.119(10) Uani 1 1 d DG U . . .
C40G C 0.2676(2) 0.13218(10) 0.01679(5) 0.119(10) Uani 1 1 d DG U . . .
H122 H 0.261811 0.117706 -0.005613 0.143 Uiso 1 1 calc R U . . .
C41G C 0.2600(2) 0.09329(10) 0.03968(6) 0.118(10) Uani 1 1 d DG U . . .
C42G C 0.2684(2) 0.11447(10) 0.07245(5) 0.119(10) Uani 1 1 d DG U . . .
H123 H 0.263186 0.087896 0.088100 0.142 Uiso 1 1 calc DR U . . .
C43G C 0.29206(9) 0.23567(8) 0.00110(5) 0.120(12) Uani 1 1 d D U . . .
C44G C 0.31831(18) 0.30083(8) 0.01954(7) 0.120(15) Uani 1 1 d D U . . .
H430 H 0.362908 0.314982 0.036869 0.180 Uiso 1 1 calc DR U . . .
H431 H 0.323425 0.328376 0.003474 0.180 Uiso 1 1 calc DR U . . .
H432 H 0.285294 0.300592 0.030014 0.180 Uiso 1 1 calc DR U . . .
C45G C 0.34418(11) 0.23548(16) -0.01501(7) 0.119(14) Uani 1 1 d D U . . .
H433 H 0.327247 0.193933 -0.026706 0.179 Uiso 1 1 calc DR U . . .
H434 H 0.349949 0.263059 -0.031066 0.179 Uiso 1 1 calc DR U . . .
H435 H 0.388501 0.249328 0.002484 0.179 Uiso 1 1 calc DR U . . .
C46G C 0.22196(10) 0.21308(15) -0.02618(7) 0.120(15) Uani 1 1 d D U . . .
H436 H 0.205488 0.171619 -0.037836 0.179 Uiso 1 1 calc R U . . .
H437 H 0.188821 0.212734 -0.015768 0.179 Uiso 1 1 calc R U . . .
H438 H 0.226952 0.240518 -0.042308 0.179 Uiso 1 1 calc R U . . .
C47G C 0.2416(2) 0.02862(9) 0.02881(6) 0.117(10) Uani 1 1 d DG U . . .
C48G C 0.2025(2) -0.00088(10) -0.00428(6) 0.117(11) Uani 1 1 d DG U . . .
H124 H 0.187659 0.020193 -0.019832 0.141 Uiso 1 1 calc R U . . .
C49G C 0.1850(3) -0.06122(13) -0.01461(6) 0.117(11) Uani 1 1 d DG U . . .
C50G C 0.2067(2) -0.09205(13) 0.00814(7) 0.117(11) Uani 1 1 d DG U . . .
H125 H 0.194750 -0.133293 0.001078 0.140 Uiso 1 1 calc R U . . .
C51G C 0.2458(2) -0.06255(12) 0.04123(7) 0.116(10) Uani 1 1 d DG U . . .
C52G C 0.2633(2) -0.00221(11) 0.05157(6) 0.117(10) Uani 1 1 d DG U . . .
H126 H 0.290061 0.017954 0.074187 0.140 Uiso 1 1 calc R U . . .
C53G C 0.1420(2) -0.09371(16) -0.05110(8) 0.118(12) Uani 1 1 d D U . . .
C54G C 0.1477(4) -0.1515(2) -0.05884(12) 0.117(15) Uani 1 1 d D U . . .
H439 H 0.120166 -0.172129 -0.082203 0.176 Uiso 1 1 calc DR U . . .
H440 H 0.195935 -0.139793 -0.055351 0.176 Uiso 1 1 calc DR U . . .
H441 H 0.130768 -0.179316 -0.043885 0.176 Uiso 1 1 calc DR U . . .
C55G C 0.1684(3) -0.0504(2) -0.07497(7) 0.120(16) Uani 1 1 d D U . . .
H442 H 0.140729 -0.071416 -0.098261 0.179 Uiso 1 1 calc DR U . . .
H443 H 0.164593 -0.013765 -0.070279 0.179 Uiso 1 1 calc R U . . .
H444 H 0.216611 -0.038556 -0.071498 0.179 Uiso 1 1 calc DR U . . .
C56G C 0.0658(2) -0.11259(16) -0.05696(11) 0.117(15) Uani 1 1 d D U . . .
H445 H 0.038625 -0.133345 -0.080332 0.175 Uiso 1 1 calc DR U . . .
H446 H 0.048713 -0.140349 -0.042010 0.175 Uiso 1 1 calc DR U . . .
H447 H 0.061837 -0.076068 -0.052250 0.175 Uiso 1 1 calc DR U . . .
C57G C 0.26964(13) -0.09578(11) 0.06544(6) 0.115(10) Uani 1 1 d DG U . . .
C58G C 0.30492(15) -0.12387(13) 0.05755(6) 0.115(10) Uani 1 1 d DG U . . .
H127 H 0.314856 -0.120994 0.037094 0.138 Uiso 1 1 calc R U . . .
C59G C 0.32566(18) -0.15616(16) 0.07959(7) 0.114(10) Uani 1 1 d DG U . . .
C60G C 0.3111(2) -0.1604(2) 0.10952(8) 0.114(10) Uani 1 1 d DG U . . .
H128 H 0.325301 -0.182434 0.124587 0.136 Uiso 1 1 calc DR U . . .
C61G C 0.2758(2) -0.1323(2) 0.11742(7) 0.113(10) Uani 1 1 d DG U . . .
C62G C 0.25511(17) -0.09999(17) 0.09538(7) 0.114(10) Uani 1 1 d DG U . . .
H129 H 0.230996 -0.080797 0.100773 0.137 Uiso 1 1 calc R U . . .
C63G C 0.36433(9) -0.18814(8) 0.07059(5) 0.114(11) Uani 1 1 d D U . . .
C64G C 0.40298(12) -0.15401(13) 0.04708(5) 0.114(14) Uani 1 1 d D U . . .
H448 H 0.436263 -0.111597 0.058452 0.171 Uiso 1 1 calc DR U . . .
H449 H 0.427227 -0.174202 0.041186 0.171 Uiso 1 1 calc DR U . . .
H450 H 0.370060 -0.154505 0.026634 0.171 Uiso 1 1 calc DR U . . .
C65G C 0.41584(12) -0.18678(12) 0.10300(5) 0.115(14) Uani 1 1 d D U . . .
H451 H 0.390998 -0.208548 0.117868 0.172 Uiso 1 1 calc DR U . . .
H452 H 0.440629 -0.206669 0.097436 0.172 Uiso 1 1 calc DR U . . .
H453 H 0.448676 -0.144255 0.114329 0.172 Uiso 1 1 calc DR U . . .
C66G C 0.31190(14) -0.25486(9) 0.05289(8) 0.114(15) Uani 1 1 d D U . . .
H454 H 0.287454 -0.276373 0.067941 0.172 Uiso 1 1 calc DR U . . .
H455 H 0.278865 -0.255486 0.032450 0.172 Uiso 1 1 calc DR U . . .
H456 H 0.336031 -0.275183 0.047002 0.172 Uiso 1 1 calc R U . . .
B1G B 0.28697(14) -0.1471(2) 0.20856(6) 0.111(9) Uani 1 1 d DG U . . .
O1G O 0.22641(14) -0.1495(2) 0.20962(6) 0.111(10) Uani 1 1 d DG U . . .
B2G B 0.18188(15) -0.1461(2) 0.18115(6) 0.111(9) Uani 1 1 d DG U . . .
O2G O 0.19790(19) -0.1404(2) 0.15161(6) 0.112(10) Uani 1 1 d DG U . . .
B3G B 0.2585(2) -0.1381(3) 0.15054(7) 0.112(9) Uani 1 1 d DG U . . .
O3G O 0.30299(17) -0.1414(2) 0.17902(7) 0.111(10) Uani 1 1 d DG U . . .
C1H C 0.4977(2) 0.1881(3) 0.22299(8) 0.116(9) Uani 1 1 d DG U . . .
C2H C 0.4861(3) 0.1781(4) 0.25335(10) 0.116(9) Uani 1 1 d DG U . . .
H130 H 0.514515 0.167702 0.269682 0.139 Uiso 1 1 calc R U . . .
C3H C 0.4329(3) 0.1831(4) 0.25980(10) 0.116(9) Uani 1 1 d DG U . . .
C4H C 0.3913(2) 0.1983(4) 0.23590(7) 0.117(9) Uani 1 1 d DG U . . .
H131 H 0.354981 0.201715 0.240318 0.140 Uiso 1 1 calc DR U . . .
C5H C 0.4029(3) 0.2083(4) 0.20554(9) 0.117(9) Uani 1 1 d DG U . . .
C6H C 0.4561(3) 0.2033(4) 0.19909(9) 0.117(9) Uani 1 1 d DG U . . .
H132 H 0.464048 0.210160 0.178337 0.140 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0019 0.0000 '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 -0.0009 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O -0.0036 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1A B1A O3A 120.0 . . ?
O1A B1A C1A 119.94(11) . . ?
O3A B1A C1A 120.06(10) . . ?
B1A O1A B2A 120.0 . . ?
O2A B2A O1A 120.0 . . ?
O2A B2A C1B 120.00(10) . . ?
O1A B2A C1B 119.99(11) . . ?
B3A O2A B2A 120.0 . . ?
O2A B3A O3A 120.0 . . ?
O2A B3A C1C 119.91(10) . . ?
O3A B3A C1C 120.09(10) . . ?
B3A O3A B1A 120.0 . . ?
C2A C1A C6A 120.0 . . ?
C2A C1A B1A 120.02(10) . . ?
C6A C1A B1A 119.98(10) . . ?
C1A C2A C3A 120.0 . . ?
C1A C2A H16 120.0 . . ?
C3A C2A H16 120.0 . . ?
C4A C3A C2A 120.0 . . ?
C4A C3A C7A 120.46(7) . . ?
C2A C3A C7A 119.54(8) . . ?
C3A C4A C5A 120.0 . . ?
C3A C4A H17 120.0 . . ?
C5A C4A H17 120.0 . . ?
C4A C5A C6A 120.0 . . ?
C4A C5A C11A 120.05(11) . . ?
C6A C5A C11A 119.95(10) . . ?
C5A C6A C1A 120.0 . . ?
C5A C6A H18 120.0 . . ?
C1A C6A H18 120.0 . . ?
C3A C7A C10A 109.91(11) . . ?
C3A C7A C9A 109.76(12) . . ?
C10A C7A C9A 109.25(12) . . ?
C3A C7A C8A 109.67(10) . . ?
C10A C7A C8A 109.18(11) . . ?
C9A C7A C8A 109.05(12) . . ?
C7A C8A H133 109.5 . . ?
C7A C8A H134 109.5 . . ?
H133 C8A H134 109.5 . . ?
C7A C8A H135 109.5 . . ?
H133 C8A H135 109.5 . . ?
H134 C8A H135 109.5 . . ?
C7A C9A H136 109.5 . . ?
C7A C9A H137 109.5 . . ?
H136 C9A H137 109.5 . . ?
C7A C9A H138 109.5 . . ?
H136 C9A H138 109.5 . . ?
H137 C9A H138 109.5 . . ?
C7A C10A H139 109.5 . . ?
C7A C10A H140 109.5 . . ?
H139 C10A H140 109.5 . . ?
C7A C10A H141 109.5 . . ?
H139 C10A H141 109.5 . . ?
H140 C10A H141 109.5 . . ?
C12A C11A C16A 120.0 . . ?
C12A C11A C5A 119.99(12) . . ?
C16A C11A C5A 120.00(11) . . ?
C11A C12A C13A 120.0 . . ?
C11A C12A H19 120.0 . . ?
C13A C12A H19 120.0 . . ?
C14A C13A C12A 120.0 . . ?
C14A C13A C17A 120.01(7) . . ?
C12A C13A C17A 119.99(9) . . ?
C15A C14A C13A 120.0 . . ?
C15A C14A H20 120.0 . . ?
C13A C14A H20 120.0 . . ?
C16A C15A C14A 120.0 . . ?
C16A C15A C21A 120.00(10) . . ?
C14A C15A C21A 119.99(10) . . ?
C15A C16A C11A 120.0 . . ?
C15A C16A H21 120.0 . . ?
C11A C16A H21 120.0 . . ?
C13A C17A C20A 109.79(12) . . ?
C13A C17A C18A 109.80(12) . . ?
C20A C17A C18A 109.16(11) . . ?
C13A C17A C19A 109.78(12) . . ?
C20A C17A C19A 109.15(12) . . ?
C18A C17A C19A 109.15(12) . . ?
C17A C18A H142 109.5 . . ?
C17A C18A H143 109.5 . . ?
H142 C18A H143 109.5 . . ?
C17A C18A H144 109.5 . . ?
H142 C18A H144 109.5 . . ?
H143 C18A H144 109.5 . . ?
C17A C19A H145 109.5 . . ?
C17A C19A H146 109.5 . . ?
H145 C19A H146 109.5 . . ?
C17A C19A H147 109.5 . . ?
H145 C19A H147 109.5 . . ?
H146 C19A H147 109.5 . . ?
C17A C20A H148 109.5 . . ?
C17A C20A H149 109.5 . . ?
H148 C20A H149 109.5 . . ?
C17A C20A H150 109.5 . . ?
H148 C20A H150 109.5 . . ?
H149 C20A H150 109.5 . . ?
C22A C21A C26A 120.0 . . ?
C22A C21A C15A 120.04(10) . . ?
C26A C21A C15A 119.96(10) . . ?
C21A C22A C23A 120.0 . . ?
C21A C22A H22 120.0 . . ?
C23A C22A H22 120.0 . . ?
C24A C23A C22A 120.0 . . ?
C24A C23A C27A 120.00(11) . . ?
C22A C23A C27A 120.00(11) . . ?
C23A C24A C25A 120.0 . . ?
C23A C24A H23 120.0 . . ?
C25A C24A H23 120.0 . . ?
C26A C25A C24A 120.0 . . ?
C26A C25A C31A 119.94(10) . . ?
C24A C25A C31A 120.05(12) . . ?
C25A C26A C21A 120.0 . . ?
C25A C26A H24 120.0 . . ?
C21A C26A H24 120.0 . . ?
C28A C27A C29A 109.79(8) . . ?
C28A C27A C30A 109.79(8) . . ?
C29A C27A C30A 109.79(8) . . ?
C28A C27A C23A 109.15(8) . . ?
C29A C27A C23A 109.15(8) . . ?
C30A C27A C23A 109.15(7) . . ?
C27A C28A H151 109.5 . . ?
C27A C28A H152 109.5 . . ?
H151 C28A H152 109.5 . . ?
C27A C28A H153 109.5 . . ?
H151 C28A H153 109.5 . . ?
H152 C28A H153 109.5 . . ?
C27A C29A H154 109.5 . . ?
C27A C29A H155 109.5 . . ?
H154 C29A H155 109.5 . . ?
C27A C29A H156 109.5 . . ?
H154 C29A H156 109.5 . . ?
H155 C29A H156 109.5 . . ?
C27A C30A H157 109.5 . . ?
C27A C30A H158 109.5 . . ?
H157 C30A H158 109.5 . . ?
C27A C30A H159 109.5 . . ?
H157 C30A H159 109.5 . . ?
H158 C30A H159 109.5 . . ?
C32A C31A C36A 120.0 . . ?
C32A C31A C25A 119.94(11) . . ?
C36A C31A C25A 120.06(11) . . ?
C31A C32A C33A 120.0 . . ?
C31A C32A H25 120.0 . . ?
C33A C32A H25 120.0 . . ?
C34A C33A C32A 120.0 . . ?
C34A C33A C1D 120.24(10) . . ?
C32A C33A C1D 119.76(11) . . ?
C35A C34A C33A 120.0 . . ?
C35A C34A H26 120.0 . . ?
C33A C34A H26 120.0 . . ?
C36A C35A C34A 120.0 . . ?
C36A C35A C37A 119.87(11) . . ?
C34A C35A C37A 120.13(10) . . ?
C35A C36A C31A 120.0 . . ?
C35A C36A H27 120.0 . . ?
C31A C36A H27 120.0 . . ?
C38A C37A C42A 120.0 . . ?
C38A C37A C35A 119.95(11) . . ?
C42A C37A C35A 120.05(12) . . ?
C39A C38A C37A 120.0 . . ?
C39A C38A H52 120.0 . . ?
C37A C38A H52 120.0 . . ?
C38A C39A C40A 120.0 . . ?
C38A C39A C43A 120.0 . . ?
C40A C39A C43A 120.0 . . ?
C39A C40A C41A 120.0 . . ?
C39A C40A H53 120.0 . . ?
C41A C40A H53 120.0 . . ?
C42A C41A C40A 120.0 . . ?
C42A C41A C47A 119.98(11) . . ?
C40A C41A C47A 120.02(10) . . ?
C41A C42A C37A 120.0 . . ?
C41A C42A H54 120.0 . . ?
C37A C42A H54 120.0 . . ?
C45A C43A C46A 109.79(6) . . ?
C45A C43A C44A 109.79(6) . . ?
C46A C43A C44A 109.79(8) . . ?
C45A C43A C39A 109.15(8) . . ?
C46A C43A C39A 109.15(7) . . ?
C44A C43A C39A 109.15(7) . . ?
C43A C44A H160 109.5 . . ?
C43A C44A H161 109.5 . . ?
H160 C44A H161 109.5 . . ?
C43A C44A H162 109.5 . . ?
H160 C44A H162 109.5 . . ?
H161 C44A H162 109.5 . . ?
C43A C45A H163 109.5 . . ?
C43A C45A H164 109.5 . . ?
H163 C45A H164 109.5 . . ?
C43A C45A H165 109.5 . . ?
H163 C45A H165 109.5 . . ?
H164 C45A H165 109.5 . . ?
C43A C46A H166 109.5 . . ?
C43A C46A H167 109.5 . . ?
H166 C46A H167 109.5 . . ?
C43A C46A H168 109.5 . . ?
H166 C46A H168 109.5 . . ?
H167 C46A H168 109.5 . . ?
C48A C47A C52A 120.0 . . ?
C48A C47A C41A 120.07(11) . . ?
C52A C47A C41A 119.93(10) . . ?
C47A C48A C49A 120.0 . . ?
C47A C48A H55 120.0 . . ?
C49A C48A H55 120.0 . . ?
C48A C49A C50A 120.0 . . ?
C48A C49A C53A 120.01(11) . . ?
C50A C49A C53A 119.99(10) . . ?
C51A C50A C49A 120.0 . . ?
C51A C50A H56 120.0 . . ?
C49A C50A H56 120.0 . . ?
C52A C51A C50A 120.0 . . ?
C52A C51A C57A 119.91(11) . . ?
C50A C51A C57A 120.09(11) . . ?
C51A C52A C47A 120.0 . . ?
C51A C52A H57 120.0 . . ?
C47A C52A H57 120.0 . . ?
C56A C53A C54A 109.79(8) . . ?
C56A C53A C55A 109.79(8) . . ?
C54A C53A C55A 109.79(8) . . ?
C56A C53A C49A 109.15(7) . . ?
C54A C53A C49A 109.15(8) . . ?
C55A C53A C49A 109.15(7) . . ?
C53A C54A H169 109.5 . . ?
C53A C54A H170 109.5 . . ?
H169 C54A H170 109.5 . . ?
C53A C54A H171 109.5 . . ?
H169 C54A H171 109.5 . . ?
H170 C54A H171 109.5 . . ?
C53A C55A H172 109.5 . . ?
C53A C55A H173 109.5 . . ?
H172 C55A H173 109.5 . . ?
C53A C55A H174 109.5 . . ?
H172 C55A H174 109.5 . . ?
H173 C55A H174 109.5 . . ?
C53A C56A H175 109.5 . . ?
C53A C56A H176 109.5 . . ?
H175 C56A H176 109.5 . . ?
C53A C56A H177 109.5 . . ?
H175 C56A H177 109.5 . . ?
H176 C56A H177 109.5 . . ?
C58A C57A C62A 120.0 . . ?
C58A C57A C51A 120.09(11) . . ?
C62A C57A C51A 119.91(11) . . ?
C59A C58A C57A 120.0 . . ?
C59A C58A H58 120.0 . . ?
C57A C58A H58 120.0 . . ?
C60A C59A C58A 120.0 . . ?
C60A C59A C63A 119.97(9) . . ?
C58A C59A C63A 120.02(9) . . ?
C59A C60A C61A 120.0 . . ?
C59A C60A H59 120.0 . . ?
C61A C60A H59 120.0 . . ?
C62A C61A C60A 120.0 . . ?
C62A C61A B1C 119.82(10) . . ?
C60A C61A B1C 120.18(11) . . ?
C61A C62A C57A 120.0 . . ?
C61A C62A H60 120.0 . . ?
C57A C62A H60 120.0 . . ?
C59A C63A C66A 109.87(11) . . ?
C59A C63A C64A 109.75(12) . . ?
C66A C63A C64A 109.22(12) . . ?
C59A C63A C65A 109.71(11) . . ?
C66A C63A C65A 109.20(12) . . ?
C64A C63A C65A 109.07(12) . . ?
C63A C64A H178 109.5 . . ?
C63A C64A H179 109.5 . . ?
H178 C64A H179 109.5 . . ?
C63A C64A H180 109.5 . . ?
H178 C64A H180 109.5 . . ?
H179 C64A H180 109.5 . . ?
C63A C65A H181 109.5 . . ?
C63A C65A H182 109.5 . . ?
H181 C65A H182 109.5 . . ?
C63A C65A H183 109.5 . . ?
H181 C65A H183 109.5 . . ?
H182 C65A H183 109.5 . . ?
C63A C66A H184 109.5 . . ?
C63A C66A H185 109.5 . . ?
H184 C66A H185 109.5 . . ?
C63A C66A H186 109.5 . . ?
H184 C66A H186 109.5 . . ?
H185 C66A H186 109.5 . . ?
C2B C1B C6B 120.0 . . ?
C2B C1B B2A 119.97(11) . . ?
C6B C1B B2A 120.03(12) . . ?
C3B C2B C1B 120.0 . . ?
C3B C2B H1 120.0 . . ?
C1B C2B H1 120.0 . . ?
C4B C3B C2B 120.0 . . ?
C4B C3B C7B 119.54(8) . . ?
C2B C3B C7B 120.46(8) . . ?
C3B C4B C5B 120.0 . . ?
C3B C4B H2 120.0 . . ?
C5B C4B H2 120.0 . . ?
C6B C5B C4B 120.0 . . ?
C6B C5B C11B 120.02(12) . . ?
C4B C5B C11B 119.97(11) . . ?
C5B C6B C1B 120.0 . . ?
C5B C6B H3 120.0 . . ?
C1B C6B H3 120.0 . . ?
C3B C7B C8B 109.92(11) . . ?
C3B C7B C10B 109.72(12) . . ?
C8B C7B C10B 109.23(11) . . ?
C3B C7B C9B 109.69(11) . . ?
C8B C7B C9B 109.21(12) . . ?
C10B C7B C9B 109.05(11) . . ?
C7B C8B H187 109.5 . . ?
C7B C8B H188 109.5 . . ?
H187 C8B H188 109.5 . . ?
C7B C8B H189 109.5 . . ?
H187 C8B H189 109.5 . . ?
H188 C8B H189 109.5 . . ?
C7B C9B H190 109.5 . . ?
C7B C9B H191 109.5 . . ?
H190 C9B H191 109.5 . . ?
C7B C9B H192 109.5 . . ?
H190 C9B H192 109.5 . . ?
H191 C9B H192 109.5 . . ?
C7B C10B H193 109.5 . . ?
C7B C10B H194 109.5 . . ?
H193 C10B H194 109.5 . . ?
C7B C10B H195 109.5 . . ?
H193 C10B H195 109.5 . . ?
H194 C10B H195 109.5 . . ?
C12B C11B C16B 120.0 . . ?
C12B C11B C5B 119.94(12) . . ?
C16B C11B C5B 120.06(11) . . ?
C11B C12B C13B 120.0 . . ?
C11B C12B H4 120.0 . . ?
C13B C12B H4 120.0 . . ?
C14B C13B C12B 120.0 . . ?
C14B C13B C17B 119.99(11) . . ?
C12B C13B C17B 120.01(11) . . ?
C13B C14B C15B 120.0 . . ?
C13B C14B H5 120.0 . . ?
C15B C14B H5 120.0 . . ?
C16B C15B C14B 120.0 . . ?
C16B C15B C21B 120.07(11) . . ?
C14B C15B C21B 119.93(10) . . ?
C15B C16B C11B 120.0 . . ?
C15B C16B H6 120.0 . . ?
C11B C16B H6 120.0 . . ?
C19B C17B C20B 109.79(6) . . ?
C19B C17B C18B 109.79(9) . . ?
C20B C17B C18B 109.79(8) . . ?
C19B C17B C13B 109.15(7) . . ?
C20B C17B C13B 109.15(7) . . ?
C18B C17B C13B 109.15(8) . . ?
C17B C18B H196 109.5 . . ?
C17B C18B H197 109.5 . . ?
H196 C18B H197 109.5 . . ?
C17B C18B H198 109.5 . . ?
H196 C18B H198 109.5 . . ?
H197 C18B H198 109.5 . . ?
C17B C19B H199 109.5 . . ?
C17B C19B H200 109.5 . . ?
H199 C19B H200 109.5 . . ?
C17B C19B H201 109.5 . . ?
H199 C19B H201 109.5 . . ?
H200 C19B H201 109.5 . . ?
C17B C20B H202 109.5 . . ?
C17B C20B H203 109.5 . . ?
H202 C20B H203 109.5 . . ?
C17B C20B H204 109.5 . . ?
H202 C20B H204 109.5 . . ?
H203 C20B H204 109.5 . . ?
C22B C21B C26B 120.0 . . ?
C22B C21B C15B 119.97(10) . . ?
C26B C21B C15B 120.03(10) . . ?
C23B C22B C21B 120.0 . . ?
C23B C22B H7 120.0 . . ?
C21B C22B H7 120.0 . . ?
C22B C23B C24B 120.0 . . ?
C22B C23B C27B 120.0 . . ?
C24B C23B C27B 120.0 . . ?
C25B C24B C23B 120.0 . . ?
C25B C24B H8 120.0 . . ?
C23B C24B H8 120.0 . . ?
C24B C25B C26B 120.0 . . ?
C24B C25B C31B 119.97(12) . . ?
C26B C25B C31B 120.02(12) . . ?
C25B C26B C21B 120.0 . . ?
C25B C26B H9 120.0 . . ?
C21B C26B H9 120.0 . . ?
C29B C27B C30B 109.79(8) . . ?
C29B C27B C28B 109.79(7) . . ?
C30B C27B C28B 109.79(7) . . ?
C29B C27B C23B 109.15(6) . . ?
C30B C27B C23B 109.15(7) . . ?
C28B C27B C23B 109.15(8) . . ?
C27B C28B H205 109.5 . . ?
C27B C28B H206 109.5 . . ?
H205 C28B H206 109.5 . . ?
C27B C28B H207 109.5 . . ?
H205 C28B H207 109.5 . . ?
H206 C28B H207 109.5 . . ?
C27B C29B H208 109.5 . . ?
C27B C29B H209 109.5 . . ?
H208 C29B H209 109.5 . . ?
C27B C29B H210 109.5 . . ?
H208 C29B H210 109.5 . . ?
H209 C29B H210 109.5 . . ?
C27B C30B H211 109.5 . . ?
C27B C30B H212 109.5 . . ?
H211 C30B H212 109.5 . . ?
C27B C30B H213 109.5 . . ?
H211 C30B H213 109.5 . . ?
H212 C30B H213 109.5 . . ?
C32B C31B C36B 120.0 . . ?
C32B C31B C25B 120.03(12) . . ?
C36B C31B C25B 119.97(11) . . ?
C33B C32B C31B 120.0 . . ?
C33B C32B H10 120.0 . . ?
C31B C32B H10 120.0 . . ?
C34B C33B C32B 120.0 . . ?
C34B C33B C3D 119.89(11) . . ?
C32B C33B C3D 120.10(12) . . ?
C33B C34B C35B 120.0 . . ?
C33B C34B H11 120.0 . . ?
C35B C34B H11 120.0 . . ?
C36B C35B C34B 120.0 . . ?
C36B C35B C37B 120.06(11) . . ?
C34B C35B C37B 119.93(11) . . ?
C35B C36B C31B 120.0 . . ?
C35B C36B H12 120.0 . . ?
C31B C36B H12 120.0 . . ?
C38B C37B C42B 120.0 . . ?
C38B C37B C35B 120.02(12) . . ?
C42B C37B C35B 119.98(11) . . ?
C39B C38B C37B 120.0 . . ?
C39B C38B H43 120.0 . . ?
C37B C38B H43 120.0 . . ?
C38B C39B C40B 120.0 . . ?
C38B C39B C43B 119.7 . . ?
C40B C39B C43B 120.3 . . ?
C41B C40B C39B 120.0 . . ?
C41B C40B H44 120.0 . . ?
C39B C40B H44 120.0 . . ?
C42B C41B C40B 120.0 . . ?
C42B C41B C47B 119.98(10) . . ?
C40B C41B C47B 120.02(11) . . ?
C41B C42B C37B 120.0 . . ?
C41B C42B H45 120.0 . . ?
C37B C42B H45 120.0 . . ?
C46B C43B C45B 109.79(8) . . ?
C46B C43B C44B 109.79(8) . . ?
C45B C43B C44B 109.79(8) . . ?
C46B C43B C39B 109.15(7) . . ?
C45B C43B C39B 109.15(8) . . ?
C44B C43B C39B 109.15(8) . . ?
C43B C44B H214 109.5 . . ?
C43B C44B H215 109.5 . . ?
H214 C44B H215 109.5 . . ?
C43B C44B H216 109.5 . . ?
H214 C44B H216 109.5 . . ?
H215 C44B H216 109.5 . . ?
C43B C45B H217 109.5 . . ?
C43B C45B H218 109.5 . . ?
H217 C45B H218 109.5 . . ?
C43B C45B H219 109.5 . . ?
H217 C45B H219 109.5 . . ?
H218 C45B H219 109.5 . . ?
C43B C46B H220 109.5 . . ?
C43B C46B H221 109.5 . . ?
H220 C46B H221 109.5 . . ?
C43B C46B H222 109.5 . . ?
H220 C46B H222 109.5 . . ?
H221 C46B H222 109.5 . . ?
C48B C47B C52B 120.0 . . ?
C48B C47B C41B 120.06(10) . . ?
C52B C47B C41B 119.94(11) . . ?
C47B C48B C49B 120.0 . . ?
C47B C48B H46 120.0 . . ?
C49B C48B H46 120.0 . . ?
C50B C49B C48B 120.0 . . ?
C50B C49B C53B 119.98(11) . . ?
C48B C49B C53B 120.02(10) . . ?
C51B C50B C49B 120.0 . . ?
C51B C50B H47 120.0 . . ?
C49B C50B H47 120.0 . . ?
C50B C51B C52B 120.0 . . ?
C50B C51B C57B 120.07(11) . . ?
C52B C51B C57B 119.93(11) . . ?
C51B C52B C47B 120.0 . . ?
C51B C52B H48 120.0 . . ?
C47B C52B H48 120.0 . . ?
C56B C53B C55B 109.79(4) . . ?
C56B C53B C54B 109.79(7) . . ?
C55B C53B C54B 109.79(8) . . ?
C56B C53B C49B 109.15(6) . . ?
C55B C53B C49B 109.15(7) . . ?
C54B C53B C49B 109.15(7) . . ?
C53B C54B H223 109.5 . . ?
C53B C54B H224 109.5 . . ?
H223 C54B H224 109.5 . . ?
C53B C54B H225 109.5 . . ?
H223 C54B H225 109.5 . . ?
H224 C54B H225 109.5 . . ?
C53B C55B H226 109.5 . . ?
C53B C55B H227 109.5 . . ?
H226 C55B H227 109.5 . . ?
C53B C55B H228 109.5 . . ?
H226 C55B H228 109.5 . . ?
H227 C55B H228 109.5 . . ?
C53B C56B H229 109.5 . . ?
C53B C56B H230 109.5 . . ?
H229 C56B H230 109.5 . . ?
C53B C56B H231 109.5 . . ?
H229 C56B H231 109.5 . . ?
H230 C56B H231 109.5 . . ?
C58B C57B C62B 120.0 . . ?
C58B C57B C51B 120.11(11) . . ?
C62B C57B C51B 119.89(11) . . ?
C59B C58B C57B 120.0 . . ?
C59B C58B H49 120.0 . . ?
C57B C58B H49 120.0 . . ?
C58B C59B C60B 120.0 . . ?
C58B C59B C63B 119.8 . . ?
C60B C59B C63B 120.2 . . ?
C61B C60B C59B 120.0 . . ?
C61B C60B H50 120.0 . . ?
C59B C60B H50 120.0 . . ?
C60B C61B C62B 120.0 . . ?
C60B C61B B2C 120.10(10) . . ?
C62B C61B B2C 119.90(11) . . ?
C61B C62B C57B 120.0 . . ?
C61B C62B H51 120.0 . . ?
C57B C62B H51 120.0 . . ?
C65B C63B C64B 109.79(7) . . ?
C65B C63B C66B 109.79(7) . . ?
C64B C63B C66B 109.79(5) . . ?
C65B C63B C59B 109.15(6) . . ?
C64B C63B C59B 109.15(7) . . ?
C66B C63B C59B 109.14(8) . . ?
C63B C64B H232 109.5 . . ?
C63B C64B H233 109.5 . . ?
H232 C64B H233 109.5 . . ?
C63B C64B H234 109.5 . . ?
H232 C64B H234 109.5 . . ?
H233 C64B H234 109.5 . . ?
C63B C65B H235 109.5 . . ?
C63B C65B H236 109.5 . . ?
H235 C65B H236 109.5 . . ?
C63B C65B H237 109.5 . . ?
H235 C65B H237 109.5 . . ?
H236 C65B H237 109.5 . . ?
C63B C66B H238 109.5 . . ?
C63B C66B H239 109.5 . . ?
H238 C66B H239 109.5 . . ?
C63B C66B H240 109.5 . . ?
H238 C66B H240 109.5 . . ?
H239 C66B H240 109.5 . . ?
C2C C1C C6C 120.0 . . ?
C2C C1C B3A 119.89(10) . . ?
C6C C1C B3A 120.11(10) . . ?
C1C C2C C3C 120.0 . . ?
C1C C2C H28 120.0 . . ?
C3C C2C H28 120.0 . . ?
C2C C3C C4C 120.0 . . ?
C2C C3C C7C 119.5 . . ?
C4C C3C C7C 120.5 . . ?
C5C C4C C3C 120.0 . . ?
C5C C4C H29 120.0 . . ?
C3C C4C H29 120.0 . . ?
C4C C5C C6C 120.0 . . ?
C4C C5C C11C 119.91(12) . . ?
C6C C5C C11C 120.08(11) . . ?
C5C C6C C1C 120.0 . . ?
C5C C6C H30 120.0 . . ?
C1C C6C H30 120.0 . . ?
C9C C7C C10C 109.79(6) . . ?
C9C C7C C8C 109.79(7) . . ?
C10C C7C C8C 109.79(8) . . ?
C9C C7C C3C 109.15(6) . . ?
C10C C7C C3C 109.15(8) . . ?
C8C C7C C3C 109.15(7) . . ?
C7C C8C H241 109.5 . . ?
C7C C8C H242 109.5 . . ?
H241 C8C H242 109.5 . . ?
C7C C8C H243 109.5 . . ?
H241 C8C H243 109.5 . . ?
H242 C8C H243 109.5 . . ?
C7C C9C H244 109.5 . . ?
C7C C9C H245 109.5 . . ?
H244 C9C H245 109.5 . . ?
C7C C9C H246 109.5 . . ?
H244 C9C H246 109.5 . . ?
H245 C9C H246 109.5 . . ?
C7C C10C H247 109.5 . . ?
C7C C10C H248 109.5 . . ?
H247 C10C H248 109.5 . . ?
C7C C10C H249 109.5 . . ?
H247 C10C H249 109.5 . . ?
H248 C10C H249 109.5 . . ?
C12C C11C C16C 120.0 . . ?
C12C C11C C5C 119.85(11) . . ?
C16C C11C C5C 120.15(11) . . ?
C11C C12C C13C 120.0 . . ?
C11C C12C H61 120.0 . . ?
C13C C12C H61 120.0 . . ?
C14C C13C C12C 120.0 . . ?
C14C C13C C17C 119.89(9) . . ?
C12C C13C C17C 120.11(8) . . ?
C15C C14C C13C 120.0 . . ?
C15C C14C H62 120.0 . . ?
C13C C14C H62 120.0 . . ?
C14C C15C C16C 120.0 . . ?
C14C C15C C21C 119.82(11) . . ?
C16C C15C C21C 120.18(11) . . ?
C15C C16C C11C 120.0 . . ?
C15C C16C H63 120.0 . . ?
C11C C16C H63 120.0 . . ?
C13C C17C C18C 109.82(11) . . ?
C13C C17C C20C 109.77(10) . . ?
C18C C17C C20C 109.17(12) . . ?
C13C C17C C19C 109.77(12) . . ?
C18C C17C C19C 109.16(12) . . ?
C20C C17C C19C 109.13(11) . . ?
C17C C18C H250 109.5 . . ?
C17C C18C H251 109.5 . . ?
H250 C18C H251 109.5 . . ?
C17C C18C H252 109.5 . . ?
H250 C18C H252 109.5 . . ?
H251 C18C H252 109.5 . . ?
C17C C19C H253 109.5 . . ?
C17C C19C H254 109.5 . . ?
H253 C19C H254 109.5 . . ?
C17C C19C H255 109.5 . . ?
H253 C19C H255 109.5 . . ?
H254 C19C H255 109.5 . . ?
C17C C20C H256 109.5 . . ?
C17C C20C H257 109.5 . . ?
H256 C20C H257 109.5 . . ?
C17C C20C H258 109.5 . . ?
H256 C20C H258 109.5 . . ?
H257 C20C H258 109.5 . . ?
C22C C21C C26C 120.0 . . ?
C22C C21C C15C 119.86(10) . . ?
C26C C21C C15C 120.14(10) . . ?
C23C C22C C21C 120.0 . . ?
C23C C22C H64 120.0 . . ?
C21C C22C H64 120.0 . . ?
C22C C23C C24C 120.0 . . ?
C22C C23C C27C 120.2 . . ?
C24C C23C C27C 119.8 . . ?
C25C C24C C23C 120.0 . . ?
C25C C24C H65 120.0 . . ?
C23C C24C H65 120.0 . . ?
C24C C25C C26C 120.0 . . ?
C24C C25C C31C 119.91(12) . . ?
C26C C25C C31C 120.09(11) . . ?
C25C C26C C21C 120.0 . . ?
C25C C26C H66 120.0 . . ?
C21C C26C H66 120.0 . . ?
C28C C27C C30C 109.79(8) . . ?
C28C C27C C29C 109.79(5) . . ?
C30C C27C C29C 109.79(5) . . ?
C28C C27C C23C 109.15(7) . . ?
C30C C27C C23C 109.15(7) . . ?
C29C C27C C23C 109.15(9) . . ?
C27C C28C H259 109.5 . . ?
C27C C28C H260 109.5 . . ?
H259 C28C H260 109.5 . . ?
C27C C28C H261 109.5 . . ?
H259 C28C H261 109.5 . . ?
H260 C28C H261 109.5 . . ?
C27C C29C H262 109.5 . . ?
C27C C29C H263 109.5 . . ?
H262 C29C H263 109.5 . . ?
C27C C29C H264 109.5 . . ?
H262 C29C H264 109.5 . . ?
H263 C29C H264 109.5 . . ?
C27C C30C H265 109.5 . . ?
C27C C30C H266 109.5 . . ?
H265 C30C H266 109.5 . . ?
C27C C30C H267 109.5 . . ?
H265 C30C H267 109.5 . . ?
H266 C30C H267 109.5 . . ?
C32C C31C C36C 120.0 . . ?
C32C C31C C25C 120.05(10) . . ?
C36C C31C C25C 119.95(11) . . ?
C33C C32C C31C 120.0 . . ?
C33C C32C H31 120.0 . . ?
C31C C32C H31 120.0 . . ?
C32C C33C C34C 120.0 . . ?
C32C C33C C5D 120.04(10) . . ?
C34C C33C C5D 119.96(11) . . ?
C35C C34C C33C 120.0 . . ?
C35C C34C H32 120.0 . . ?
C33C C34C H32 120.0 . . ?
C36C C35C C34C 120.0 . . ?
C36C C35C C37C 120.06(11) . . ?
C34C C35C C37C 119.93(12) . . ?
C35C C36C C31C 120.0 . . ?
C35C C36C H33 120.0 . . ?
C31C C36C H33 120.0 . . ?
C38C C37C C42C 120.0 . . ?
C38C C37C C35C 120.14(12) . . ?
C42C C37C C35C 119.86(10) . . ?
C39C C38C C37C 120.0 . . ?
C39C C38C H34 120.0 . . ?
C37C C38C H34 120.0 . . ?
C40C C39C C38C 120.0 . . ?
C40C C39C C43C 120.01(10) . . ?
C38C C39C C43C 119.99(11) . . ?
C39C C40C C41C 120.0 . . ?
C39C C40C H35 120.0 . . ?
C41C C40C H35 120.0 . . ?
C42C C41C C40C 120.0 . . ?
C42C C41C C47C 119.82(10) . . ?
C40C C41C C47C 120.17(10) . . ?
C41C C42C C37C 120.0 . . ?
C41C C42C H36 120.0 . . ?
C37C C42C H36 120.0 . . ?
C45C C43C C46C 109.79(7) . . ?
C45C C43C C44C 109.79(8) . . ?
C46C C43C C44C 109.79(9) . . ?
C45C C43C C39C 109.15(8) . . ?
C46C C43C C39C 109.15(6) . . ?
C44C C43C C39C 109.15(8) . . ?
C43C C44C H268 109.5 . . ?
C43C C44C H269 109.5 . . ?
H268 C44C H269 109.5 . . ?
C43C C44C H270 109.5 . . ?
H268 C44C H270 109.5 . . ?
H269 C44C H270 109.5 . . ?
C43C C45C H271 109.5 . . ?
C43C C45C H272 109.5 . . ?
H271 C45C H272 109.5 . . ?
C43C C45C H273 109.5 . . ?
H271 C45C H273 109.5 . . ?
H272 C45C H273 109.5 . . ?
C43C C46C H274 109.5 . . ?
C43C C46C H275 109.5 . . ?
H274 C46C H275 109.5 . . ?
C43C C46C H276 109.5 . . ?
H274 C46C H276 109.5 . . ?
H275 C46C H276 109.5 . . ?
C48C C47C C52C 120.0 . . ?
C48C C47C C41C 120.17(9) . . ?
C52C C47C C41C 119.83(10) . . ?
C47C C48C C49C 120.0 . . ?
C47C C48C H37 120.0 . . ?
C49C C48C H37 120.0 . . ?
C50C C49C C48C 120.0 . . ?
C50C C49C C53C 120.01(10) . . ?
C48C C49C C53C 119.99(9) . . ?
C51C C50C C49C 120.0 . . ?
C51C C50C H38 120.0 . . ?
C49C C50C H38 120.0 . . ?
C52C C51C C50C 120.0 . . ?
C52C C51C C57C 119.88(10) . . ?
C50C C51C C57C 120.12(11) . . ?
C51C C52C C47C 120.0 . . ?
C51C C52C H39 120.0 . . ?
C47C C52C H39 120.0 . . ?
C55C C53C C56C 109.79(9) . . ?
C55C C53C C54C 109.79(5) . . ?
C56C C53C C54C 109.79(7) . . ?
C55C C53C C49C 109.15(6) . . ?
C56C C53C C49C 109.15(8) . . ?
C54C C53C C49C 109.15(8) . . ?
C53C C54C H277 109.5 . . ?
C53C C54C H278 109.5 . . ?
H277 C54C H278 109.5 . . ?
C53C C54C H279 109.5 . . ?
H277 C54C H279 109.5 . . ?
H278 C54C H279 109.5 . . ?
C53C C55C H280 109.5 . . ?
C53C C55C H281 109.5 . . ?
H280 C55C H281 109.5 . . ?
C53C C55C H282 109.5 . . ?
H280 C55C H282 109.5 . . ?
H281 C55C H282 109.5 . . ?
C53C C56C H283 109.5 . . ?
C53C C56C H284 109.5 . . ?
H283 C56C H284 109.5 . . ?
C53C C56C H285 109.5 . . ?
H283 C56C H285 109.5 . . ?
H284 C56C H285 109.5 . . ?
C58C C57C C62C 120.0 . . ?
C58C C57C C51C 120.03(10) . . ?
C62C C57C C51C 119.97(10) . . ?
C59C C58C C57C 120.0 . . ?
C59C C58C H40 120.0 . . ?
C57C C58C H40 120.0 . . ?
C60C C59C C58C 120.0 . . ?
C60C C59C C63C 119.9 . . ?
C58C C59C C63C 120.1 . . ?
C59C C60C C61C 120.0 . . ?
C59C C60C H41 120.0 . . ?
C61C C60C H41 120.0 . . ?
C60C C61C C62C 120.0 . . ?
C60C C61C B3C 119.99(10) . . ?
C62C C61C B3C 120.01(10) . . ?
C61C C62C C57C 120.0 . . ?
C61C C62C H42 120.0 . . ?
C57C C62C H42 120.0 . . ?
C66C C63C C65C 109.79(8) . . ?
C66C C63C C64C 109.79(8) . . ?
C65C C63C C64C 109.79(7) . . ?
C66C C63C C59C 109.15(5) . . ?
C65C C63C C59C 109.15(9) . . ?
C64C C63C C59C 109.15(7) . . ?
C63C C64C H286 109.5 . . ?
C63C C64C H287 109.5 . . ?
H286 C64C H287 109.5 . . ?
C63C C64C H288 109.5 . . ?
H286 C64C H288 109.5 . . ?
H287 C64C H288 109.5 . . ?
C63C C65C H289 109.5 . . ?
C63C C65C H290 109.5 . . ?
H289 C65C H290 109.5 . . ?
C63C C65C H291 109.5 . . ?
H289 C65C H291 109.5 . . ?
H290 C65C H291 109.5 . . ?
C63C C66C H292 109.5 . . ?
C63C C66C H293 109.5 . . ?
H292 C66C H293 109.5 . . ?
C63C C66C H294 109.5 . . ?
H292 C66C H294 109.5 . . ?
H293 C66C H294 109.5 . . ?
O1C B1C O3C 120.0 . . ?
O1C B1C C61A 120.11(10) . . ?
O3C B1C C61A 119.89(11) . . ?
B1C O1C B2C 120.0 . . ?
O2C B2C O1C 120.0 . . ?
O2C B2C C61B 120.06(11) . . ?
O1C B2C C61B 119.93(10) . . ?
B2C O2C B3C 120.0 . . ?
O3C B3C O2C 120.0 . . ?
O3C B3C C61C 119.94(11) . . ?
O2C B3C C61C 120.06(11) . . ?
B3C O3C B1C 120.0 . . ?
C2D C1D C6D 120.0 . . ?
C2D C1D C33A 120.23(11) . . ?
C6D C1D C33A 119.77(10) . . ?
C1D C2D C3D 120.0 . . ?
C1D C2D H13 120.0 . . ?
C3D C2D H13 120.0 . . ?
C2D C3D C4D 120.0 . . ?
C2D C3D C33B 120.17(11) . . ?
C4D C3D C33B 119.83(11) . . ?
C5D C4D C3D 120.0 . . ?
C5D C4D H14 120.0 . . ?
C3D C4D H14 120.0 . . ?
C4D C5D C6D 120.0 . . ?
C4D C5D C33C 120.01(11) . . ?
C6D C5D C33C 119.99(10) . . ?
C5D C6D C1D 120.0 . . ?
C5D C6D H15 120.0 . . ?
C1D C6D H15 120.0 . . ?
O1E B1E O3E 120.0 . . ?
O1E B1E C1E 120.12(10) . . ?
O3E B1E C1E 119.87(10) . . ?
B2E O1E B1E 120.0 . . ?
O2E B2E O1E 120.0 . . ?
O2E B2E C1F 119.87(11) . . ?
O1E B2E C1F 120.12(10) . . ?
B2E O2E B3E 120.0 . . ?
O3E B3E O2E 120.0 . . ?
O3E B3E C1G 119.82(10) . . ?
O2E B3E C1G 120.17(11) . . ?
B3E O3E B1E 120.0 . . ?
C2E C1E C6E 120.0 . . ?
C2E C1E B1E 119.98(9) . . ?
C6E C1E B1E 120.01(9) . . ?
C3E C2E C1E 120.0 . . ?
C3E C2E H67 120.0 . . ?
C1E C2E H67 120.0 . . ?
C2E C3E C4E 120.0 . . ?
C2E C3E C7E 120.09(8) . . ?
C4E C3E C7E 119.91(9) . . ?
C3E C4E C5E 120.0 . . ?
C3E C4E H68 120.0 . . ?
C5E C4E H68 120.0 . . ?
C6E C5E C4E 120.0 . . ?
C6E C5E C11E 119.99(10) . . ?
C4E C5E C11E 120.01(11) . . ?
C5E C6E C1E 120.0 . . ?
C5E C6E H69 120.0 . . ?
C1E C6E H69 120.0 . . ?
C10E C7E C9E 109.79(8) . . ?
C10E C7E C8E 109.79(8) . . ?
C9E C7E C8E 109.79(8) . . ?
C10E C7E C3E 109.15(7) . . ?
C9E C7E C3E 109.15(8) . . ?
C8E C7E C3E 109.15(7) . . ?
C7E C8E H295 109.5 . . ?
C7E C8E H296 109.5 . . ?
H295 C8E H296 109.5 . . ?
C7E C8E H297 109.5 . . ?
H295 C8E H297 109.5 . . ?
H296 C8E H297 109.5 . . ?
C7E C9E H298 109.5 . . ?
C7E C9E H299 109.5 . . ?
H298 C9E H299 109.5 . . ?
C7E C9E H300 109.5 . . ?
H298 C9E H300 109.5 . . ?
H299 C9E H300 109.5 . . ?
C7E C10E H301 109.5 . . ?
C7E C10E H302 109.5 . . ?
H301 C10E H302 109.5 . . ?
C7E C10E H303 109.5 . . ?
H301 C10E H303 109.5 . . ?
H302 C10E H303 109.5 . . ?
C12E C11E C16E 120.0 . . ?
C12E C11E C5E 120.13(11) . . ?
C16E C11E C5E 119.87(10) . . ?
C11E C12E C13E 120.0 . . ?
C11E C12E H70 120.0 . . ?
C13E C12E H70 120.0 . . ?
C14E C13E C12E 120.0 . . ?
C14E C13E C17E 120.00(10) . . ?
C12E C13E C17E 120.00(11) . . ?
C15E C14E C13E 120.0 . . ?
C15E C14E H71 120.0 . . ?
C13E C14E H71 120.0 . . ?
C14E C15E C16E 120.0 . . ?
C14E C15E C21E 120.15(10) . . ?
C16E C15E C21E 119.85(10) . . ?
C15E C16E C11E 120.0 . . ?
C15E C16E H72 120.0 . . ?
C11E C16E H72 120.0 . . ?
C20E C17E C18E 109.79(6) . . ?
C20E C17E C19E 109.79(7) . . ?
C18E C17E C19E 109.79(7) . . ?
C20E C17E C13E 109.15(8) . . ?
C18E C17E C13E 109.15(6) . . ?
C19E C17E C13E 109.15(7) . . ?
C17E C18E H304 109.5 . . ?
C17E C18E H305 109.5 . . ?
H304 C18E H305 109.5 . . ?
C17E C18E H306 109.5 . . ?
H304 C18E H306 109.5 . . ?
H305 C18E H306 109.5 . . ?
C17E C19E H307 109.5 . . ?
C17E C19E H308 109.5 . . ?
H307 C19E H308 109.5 . . ?
C17E C19E H309 109.5 . . ?
H307 C19E H309 109.5 . . ?
H308 C19E H309 109.5 . . ?
C17E C20E H310 109.5 . . ?
C17E C20E H311 109.5 . . ?
H310 C20E H311 109.5 . . ?
C17E C20E H312 109.5 . . ?
H310 C20E H312 109.5 . . ?
H311 C20E H312 109.5 . . ?
C22E C21E C26E 120.0 . . ?
C22E C21E C15E 120.14(10) . . ?
C26E C21E C15E 119.86(9) . . ?
C23E C22E C21E 120.0 . . ?
C23E C22E H73 120.0 . . ?
C21E C22E H73 120.0 . . ?
C22E C23E C24E 120.0 . . ?
C22E C23E C27E 120.00(10) . . ?
C24E C23E C27E 120.00(11) . . ?
C23E C24E C25E 120.0 . . ?
C23E C24E H74 120.0 . . ?
C25E C24E H74 120.0 . . ?
C26E C25E C24E 120.0 . . ?
C26E C25E C31E 119.93(10) . . ?
C24E C25E C31E 120.07(11) . . ?
C25E C26E C21E 120.0 . . ?
C25E C26E H75 120.0 . . ?
C21E C26E H75 120.0 . . ?
C30E C27E C28E 109.79(9) . . ?
C30E C27E C29E 109.79(7) . . ?
C28E C27E C29E 109.79(8) . . ?
C30E C27E C23E 109.15(7) . . ?
C28E C27E C23E 109.15(8) . . ?
C29E C27E C23E 109.15(8) . . ?
C27E C28E H313 109.5 . . ?
C27E C28E H314 109.5 . . ?
H313 C28E H314 109.5 . . ?
C27E C28E H315 109.5 . . ?
H313 C28E H315 109.5 . . ?
H314 C28E H315 109.5 . . ?
C27E C29E H316 109.5 . . ?
C27E C29E H317 109.5 . . ?
H316 C29E H317 109.5 . . ?
C27E C29E H318 109.5 . . ?
H316 C29E H318 109.5 . . ?
H317 C29E H318 109.5 . . ?
C27E C30E H319 109.5 . . ?
C27E C30E H320 109.5 . . ?
H319 C30E H320 109.5 . . ?
C27E C30E H321 109.5 . . ?
H319 C30E H321 109.5 . . ?
H320 C30E H321 109.5 . . ?
C32E C31E C36E 120.0 . . ?
C32E C31E C25E 120.02(10) . . ?
C36E C31E C25E 119.98(11) . . ?
C31E C32E C33E 120.0 . . ?
C31E C32E H76 120.0 . . ?
C33E C32E H76 120.0 . . ?
C34E C33E C32E 120.0 . . ?
C34E C33E C1H 120.19(11) . . ?
C32E C33E C1H 119.81(10) . . ?
C33E C34E C35E 120.0 . . ?
C33E C34E H77 120.0 . . ?
C35E C34E H77 120.0 . . ?
C36E C35E C34E 120.0 . . ?
C36E C35E C37E 119.86(11) . . ?
C34E C35E C37E 120.14(11) . . ?
C35E C36E C31E 120.0 . . ?
C35E C36E H78 120.0 . . ?
C31E C36E H78 120.0 . . ?
C38E C37E C42E 120.0 . . ?
C38E C37E C35E 119.97(12) . . ?
C42E C37E C35E 120.03(12) . . ?
C37E C38E C39E 120.0 . . ?
C37E C38E H79 120.0 . . ?
C39E C38E H79 120.0 . . ?
C38E C39E C40E 120.0 . . ?
C38E C39E C43E 119.98(9) . . ?
C40E C39E C43E 120.02(8) . . ?
C41E C40E C39E 120.0 . . ?
C41E C40E H80 120.0 . . ?
C39E C40E H80 120.0 . . ?
C40E C41E C42E 120.0 . . ?
C40E C41E C47E 120.00(10) . . ?
C42E C41E C47E 120.00(11) . . ?
C41E C42E C37E 120.0 . . ?
C41E C42E H81 120.0 . . ?
C37E C42E H81 120.0 . . ?
C44E C43E C46E 109.79(7) . . ?
C44E C43E C45E 109.79(7) . . ?
C46E C43E C45E 109.79(5) . . ?
C44E C43E C39E 109.15(6) . . ?
C46E C43E C39E 109.15(7) . . ?
C45E C43E C39E 109.15(8) . . ?
C43E C44E H322 109.5 . . ?
C43E C44E H323 109.5 . . ?
H322 C44E H323 109.5 . . ?
C43E C44E H324 109.5 . . ?
H322 C44E H324 109.5 . . ?
H323 C44E H324 109.5 . . ?
C43E C45E H325 109.5 . . ?
C43E C45E H326 109.5 . . ?
H325 C45E H326 109.5 . . ?
C43E C45E H327 109.5 . . ?
H325 C45E H327 109.5 . . ?
H326 C45E H327 109.5 . . ?
C43E C46E H328 109.5 . . ?
C43E C46E H329 109.5 . . ?
H328 C46E H329 109.5 . . ?
C43E C46E H330 109.5 . . ?
H328 C46E H330 109.5 . . ?
H329 C46E H330 109.5 . . ?
C48E C47E C52E 120.0 . . ?
C48E C47E C41E 120.05(11) . . ?
C52E C47E C41E 119.93(9) . . ?
C47E C48E C49E 120.0 . . ?
C47E C48E H82 120.0 . . ?
C49E C48E H82 120.0 . . ?
C48E C49E C50E 120.0 . . ?
C48E C49E C53E 119.8 . . ?
C50E C49E C53E 120.2 . . ?
C51E C50E C49E 120.0 . . ?
C51E C50E H83 120.0 . . ?
C49E C50E H83 120.0 . . ?
C50E C51E C52E 120.0 . . ?
C50E C51E C57E 119.92(10) . . ?
C52E C51E C57E 120.07(9) . . ?
C51E C52E C47E 120.0 . . ?
C51E C52E H84 120.0 . . ?
C47E C52E H84 120.0 . . ?
C55E C53E C56E 109.79(8) . . ?
C55E C53E C54E 109.79(6) . . ?
C56E C53E C54E 109.79(7) . . ?
C55E C53E C49E 109.15(5) . . ?
C56E C53E C49E 109.15(7) . . ?
C54E C53E C49E 109.15(8) . . ?
C53E C54E H331 109.5 . . ?
C53E C54E H332 109.5 . . ?
H331 C54E H332 109.5 . . ?
C53E C54E H333 109.5 . . ?
H331 C54E H333 109.5 . . ?
H332 C54E H333 109.5 . . ?
C53E C55E H334 109.5 . . ?
C53E C55E H335 109.5 . . ?
H334 C55E H335 109.5 . . ?
C53E C55E H336 109.5 . . ?
H334 C55E H336 109.5 . . ?
H335 C55E H336 109.5 . . ?
C53E C56E H337 109.5 . . ?
C53E C56E H338 109.5 . . ?
H337 C56E H338 109.5 . . ?
C53E C56E H339 109.5 . . ?
H337 C56E H339 109.5 . . ?
H338 C56E H339 109.5 . . ?
C58E C57E C62E 120.0 . . ?
C58E C57E C51E 119.65(8) . . ?
C62E C57E C51E 120.34(9) . . ?
C59E C58E C57E 120.0 . . ?
C59E C58E H85 120.0 . . ?
C57E C58E H85 120.0 . . ?
C58E C59E C60E 120.0 . . ?
C58E C59E C63E 120.7 . . ?
C60E C59E C63E 119.2 . . ?
C61E C60E C59E 120.0 . . ?
C61E C60E H86 120.0 . . ?
C59E C60E H86 120.0 . . ?
C62E C61E C60E 120.0 . . ?
C62E C61E B1G 119.42(10) . . ?
C60E C61E B1G 120.51(11) . . ?
C61E C62E C57E 120.0 . . ?
C61E C62E H87 120.0 . . ?
C57E C62E H87 120.0 . . ?
C64E C63E C66E 109.79(6) . . ?
C64E C63E C65E 109.79(7) . . ?
C66E C63E C65E 109.79(6) . . ?
C64E C63E C59E 109.16(8) . . ?
C66E C63E C59E 109.15(6) . . ?
C65E C63E C59E 109.14(5) . . ?
C63E C64E H340 109.5 . . ?
C63E C64E H341 109.5 . . ?
H340 C64E H341 109.5 . . ?
C63E C64E H342 109.5 . . ?
H340 C64E H342 109.5 . . ?
H341 C64E H342 109.5 . . ?
C63E C65E H343 109.5 . . ?
C63E C65E H344 109.5 . . ?
H343 C65E H344 109.5 . . ?
C63E C65E H345 109.5 . . ?
H343 C65E H345 109.5 . . ?
H344 C65E H345 109.5 . . ?
C63E C66E H346 109.5 . . ?
C63E C66E H347 109.5 . . ?
H346 C66E H347 109.5 . . ?
C63E C66E H348 109.5 . . ?
H346 C66E H348 109.5 . . ?
H347 C66E H348 109.5 . . ?
C2F C1F C6F 120.0 . . ?
C2F C1F B2E 120.21(11) . . ?
C6F C1F B2E 119.78(10) . . ?
C3F C2F C1F 120.0 . . ?
C3F C2F H88 120.0 . . ?
C1F C2F H88 120.0 . . ?
C4F C3F C2F 120.0 . . ?
C4F C3F C7F 120.1 . . ?
C2F C3F C7F 119.9 . . ?
C3F C4F C5F 120.0 . . ?
C3F C4F H89 120.0 . . ?
C5F C4F H89 120.0 . . ?
C4F C5F C6F 120.0 . . ?
C4F C5F C11F 120.22(10) . . ?
C6F C5F C11F 119.77(10) . . ?
C5F C6F C1F 120.0 . . ?
C5F C6F H90 120.0 . . ?
C1F C6F H90 120.0 . . ?
C10F C7F C9F 109.75(7) . . ?
C10F C7F C8F 109.75(7) . . ?
C9F C7F C8F 109.75(8) . . ?
C10F C7F C3F 109.19(8) . . ?
C9F C7F C3F 109.19(5) . . ?
C8F C7F C3F 109.19(7) . . ?
C7F C8F H349 109.5 . . ?
C7F C8F H350 109.5 . . ?
H349 C8F H350 109.5 . . ?
C7F C8F H351 109.5 . . ?
H349 C8F H351 109.5 . . ?
H350 C8F H351 109.5 . . ?
C7F C9F H352 109.5 . . ?
C7F C9F H353 109.5 . . ?
H352 C9F H353 109.5 . . ?
C7F C9F H354 109.5 . . ?
H352 C9F H354 109.5 . . ?
H353 C9F H354 109.5 . . ?
C7F C10F H355 109.5 . . ?
C7F C10F H356 109.5 . . ?
H355 C10F H356 109.5 . . ?
C7F C10F H357 109.5 . . ?
H355 C10F H357 109.5 . . ?
H356 C10F H357 109.5 . . ?
C12F C11F C16F 120.0 . . ?
C12F C11F C5F 120.20(11) . . ?
C16F C11F C5F 119.80(11) . . ?
C11F C12F C13F 120.0 . . ?
C11F C12F H91 120.0 . . ?
C13F C12F H91 120.0 . . ?
C14F C13F C12F 120.0 . . ?
C14F C13F C17F 120.0 . . ?
C12F C13F C17F 120.0 . . ?
C15F C14F C13F 120.0 . . ?
C15F C14F H92 120.0 . . ?
C13F C14F H92 120.0 . . ?
C14F C15F C16F 120.0 . . ?
C14F C15F C21F 120.11(10) . . ?
C16F C15F C21F 119.89(10) . . ?
C15F C16F C11F 120.0 . . ?
C15F C16F H93 120.0 . . ?
C11F C16F H93 120.0 . . ?
C20F C17F C19F 109.75(6) . . ?
C20F C17F C18F 109.75(8) . . ?
C19F C17F C18F 109.75(6) . . ?
C20F C17F C13F 109.19(7) . . ?
C19F C17F C13F 109.19(8) . . ?
C18F C17F C13F 109.19(6) . . ?
C17F C18F H358 109.5 . . ?
C17F C18F H359 109.5 . . ?
H358 C18F H359 109.5 . . ?
C17F C18F H360 109.5 . . ?
H358 C18F H360 109.5 . . ?
H359 C18F H360 109.5 . . ?
C17F C19F H361 109.5 . . ?
C17F C19F H362 109.5 . . ?
H361 C19F H362 109.5 . . ?
C17F C19F H363 109.5 . . ?
H361 C19F H363 109.5 . . ?
H362 C19F H363 109.5 . . ?
C17F C20F H364 109.5 . . ?
C17F C20F H365 109.5 . . ?
H364 C20F H365 109.5 . . ?
C17F C20F H366 109.5 . . ?
H364 C20F H366 109.5 . . ?
H365 C20F H366 109.5 . . ?
C22F C21F C26F 120.0 . . ?
C22F C21F C15F 120.02(10) . . ?
C26F C21F C15F 119.98(11) . . ?
C21F C22F C23F 120.0 . . ?
C21F C22F H94 120.0 . . ?
C23F C22F H94 120.0 . . ?
C24F C23F C22F 120.0 . . ?
C24F C23F C27F 120.01(10) . . ?
C22F C23F C27F 119.99(11) . . ?
C23F C24F C25F 120.0 . . ?
C23F C24F H95 120.0 . . ?
C25F C24F H95 120.0 . . ?
C26F C25F C24F 120.0 . . ?
C26F C25F C31F 120.09(12) . . ?
C24F C25F C31F 119.91(11) . . ?
C25F C26F C21F 120.0 . . ?
C25F C26F H96 120.0 . . ?
C21F C26F H96 120.0 . . ?
C28F C27F C30F 109.75(7) . . ?
C28F C27F C29F 109.75(7) . . ?
C30F C27F C29F 109.75(8) . . ?
C28F C27F C23F 109.19(7) . . ?
C30F C27F C23F 109.19(8) . . ?
C29F C27F C23F 109.19(5) . . ?
C27F C28F H367 109.5 . . ?
C27F C28F H368 109.5 . . ?
H367 C28F H368 109.5 . . ?
C27F C28F H369 109.5 . . ?
H367 C28F H369 109.5 . . ?
H368 C28F H369 109.5 . . ?
C27F C29F H370 109.5 . . ?
C27F C29F H371 109.5 . . ?
H370 C29F H371 109.5 . . ?
C27F C29F H372 109.5 . . ?
H370 C29F H372 109.5 . . ?
H371 C29F H372 109.5 . . ?
C27F C30F H373 109.5 . . ?
C27F C30F H374 109.5 . . ?
H373 C30F H374 109.5 . . ?
C27F C30F H375 109.5 . . ?
H373 C30F H375 109.5 . . ?
H374 C30F H375 109.5 . . ?
C32F C31F C36F 120.0 . . ?
C32F C31F C25F 120.05(12) . . ?
C36F C31F C25F 119.94(12) . . ?
C33F C32F C31F 120.0 . . ?
C33F C32F H97 120.0 . . ?
C31F C32F H97 120.0 . . ?
C32F C33F C34F 120.0 . . ?
C32F C33F C3H 120.22(12) . . ?
C34F C33F C3H 119.76(11) . . ?
C33F C34F C35F 120.0 . . ?
C33F C34F H98 120.0 . . ?
C35F C34F H98 120.0 . . ?
C34F C35F C36F 120.0 . . ?
C34F C35F C37F 120.02(11) . . ?
C36F C35F C37F 119.98(12) . . ?
C35F C36F C31F 120.0 . . ?
C35F C36F H99 120.0 . . ?
C31F C36F H99 120.0 . . ?
C38F C37F C42F 120.0 . . ?
C38F C37F C35F 119.87(12) . . ?
C42F C37F C35F 120.13(11) . . ?
C37F C38F C39F 120.0 . . ?
C37F C38F H100 120.0 . . ?
C39F C38F H100 120.0 . . ?
C40F C39F C38F 120.0 . . ?
C40F C39F C43F 120.05(10) . . ?
C38F C39F C43F 119.95(10) . . ?
C39F C40F C41F 120.0 . . ?
C39F C40F H101 120.0 . . ?
C41F C40F H101 120.0 . . ?
C42F C41F C40F 120.0 . . ?
C42F C41F C47F 120.26(10) . . ?
C40F C41F C47F 119.74(11) . . ?
C41F C42F C37F 120.0 . . ?
C41F C42F H102 120.0 . . ?
C37F C42F H102 120.0 . . ?
C46F C43F C44F 109.36(6) . . ?
C46F C43F C45F 109.36(6) . . ?
C44F C43F C45F 109.36(7) . . ?
C46F C43F C39F 109.59(7) . . ?
C44F C43F C39F 109.59(7) . . ?
C45F C43F C39F 109.59(7) . . ?
C43F C44F H376 109.5 . . ?
C43F C44F H377 109.5 . . ?
H376 C44F H377 109.5 . . ?
C43F C44F H378 109.5 . . ?
H376 C44F H378 109.5 . . ?
H377 C44F H378 109.5 . . ?
C43F C45F H379 109.5 . . ?
C43F C45F H380 109.5 . . ?
H379 C45F H380 109.5 . . ?
C43F C45F H381 109.5 . . ?
H379 C45F H381 109.5 . . ?
H380 C45F H381 109.5 . . ?
C43F C46F H382 109.5 . . ?
C43F C46F H383 109.5 . . ?
H382 C46F H383 109.5 . . ?
C43F C46F H384 109.5 . . ?
H382 C46F H384 109.5 . . ?
H383 C46F H384 109.5 . . ?
C48F C47F C52F 120.0 . . ?
C48F C47F C41F 119.72(10) . . ?
C52F C47F C41F 120.28(10) . . ?
C47F C48F C49F 120.0 . . ?
C47F C48F H103 120.0 . . ?
C49F C48F H103 120.0 . . ?
C48F C49F C50F 120.0 . . ?
C48F C49F C53F 120.06(8) . . ?
C50F C49F C53F 119.94(9) . . ?
C51F C50F C49F 120.0 . . ?
C51F C50F H104 120.0 . . ?
C49F C50F H104 120.0 . . ?
C52F C51F C50F 120.0 . . ?
C52F C51F C57F 120.02(11) . . ?
C50F C51F C57F 119.97(11) . . ?
C51F C52F C47F 120.0 . . ?
C51F C52F H105 120.0 . . ?
C47F C52F H105 120.0 . . ?
C49F C53F C54F 110.27(11) . . ?
C49F C53F C55F 110.24(11) . . ?
C54F C53F C55F 108.70(10) . . ?
C49F C53F C56F 110.22(10) . . ?
C54F C53F C56F 108.68(10) . . ?
C55F C53F C56F 108.68(10) . . ?
C53F C54F H385 109.5 . . ?
C53F C54F H386 109.5 . . ?
H385 C54F H386 109.5 . . ?
C53F C54F H387 109.5 . . ?
H385 C54F H387 109.5 . . ?
H386 C54F H387 109.5 . . ?
C53F C55F H388 109.5 . . ?
C53F C55F H389 109.5 . . ?
H388 C55F H389 109.5 . . ?
C53F C55F H390 109.5 . . ?
H388 C55F H390 109.5 . . ?
H389 C55F H390 109.5 . . ?
C53F C56F H391 109.5 . . ?
C53F C56F H392 109.5 . . ?
H391 C56F H392 109.5 . . ?
C53F C56F H393 109.5 . . ?
H391 C56F H393 109.5 . . ?
H392 C56F H393 109.5 . . ?
C58F C57F C62F 120.0 . . ?
C58F C57F C51F 120.22(12) . . ?
C62F C57F C51F 119.78(10) . . ?
C57F C58F C59F 120.0 . . ?
C57F C58F H106 120.0 . . ?
C59F C58F H106 120.0 . . ?
C60F C59F C58F 120.0 . . ?
C60F C59F C63F 119.98(10) . . ?
C58F C59F C63F 120.02(11) . . ?
C59F C60F C61F 120.0 . . ?
C59F C60F H107 120.0 . . ?
C61F C60F H107 120.0 . . ?
C62F C61F C60F 120.0 . . ?
C62F C61F B2G 119.80(10) . . ?
C60F C61F B2G 120.18(11) . . ?
C61F C62F C57F 120.0 . . ?
C61F C62F H108 120.0 . . ?
C57F C62F H108 120.0 . . ?
C65F C63F C64F 109.75(8) . . ?
C65F C63F C66F 109.75(6) . . ?
C64F C63F C66F 109.75(5) . . ?
C65F C63F C59F 109.19(7) . . ?
C64F C63F C59F 109.19(7) . . ?
C66F C63F C59F 109.19(8) . . ?
C63F C64F H394 109.5 . . ?
C63F C64F H395 109.5 . . ?
H394 C64F H395 109.5 . . ?
C63F C64F H396 109.5 . . ?
H394 C64F H396 109.5 . . ?
H395 C64F H396 109.5 . . ?
C63F C65F H397 109.5 . . ?
C63F C65F H398 109.5 . . ?
H397 C65F H398 109.5 . . ?
C63F C65F H399 109.5 . . ?
H397 C65F H399 109.5 . . ?
H398 C65F H399 109.5 . . ?
C63F C66F H400 109.5 . . ?
C63F C66F H401 109.5 . . ?
H400 C66F H401 109.5 . . ?
C63F C66F H402 109.5 . . ?
H400 C66F H402 109.5 . . ?
H401 C66F H402 109.5 . . ?
C2G C1G C6G 120.0 . . ?
C2G C1G B3E 120.31(10) . . ?
C6G C1G B3E 119.69(11) . . ?
C3G C2G C1G 120.0 . . ?
C3G C2G H109 120.0 . . ?
C1G C2G H109 120.0 . . ?
C2G C3G C4G 120.0 . . ?
C2G C3G C7G 119.9 . . ?
C4G C3G C7G 120.1 . . ?
C5G C4G C3G 120.0 . . ?
C5G C4G H110 120.0 . . ?
C3G C4G H110 120.0 . . ?
C6G C5G C4G 120.0 . . ?
C6G C5G C11G 119.94(11) . . ?
C4G C5G C11G 120.05(10) . . ?
C5G C6G C1G 120.0 . . ?
C5G C6G H111 120.0 . . ?
C1G C6G H111 120.0 . . ?
C10G C7G C8G 109.79(6) . . ?
C10G C7G C9G 109.79(9) . . ?
C8G C7G C9G 109.79(7) . . ?
C10G C7G C3G 109.15(5) . . ?
C8G C7G C3G 109.15(7) . . ?
C9G C7G C3G 109.15(7) . . ?
C7G C8G H403 109.5 . . ?
C7G C8G H404 109.5 . . ?
H403 C8G H404 109.5 . . ?
C7G C8G H405 109.5 . . ?
H403 C8G H405 109.5 . . ?
H404 C8G H405 109.5 . . ?
C7G C9G H406 109.5 . . ?
C7G C9G H407 109.5 . . ?
H406 C9G H407 109.5 . . ?
C7G C9G H408 109.5 . . ?
H406 C9G H408 109.5 . . ?
H407 C9G H408 109.5 . . ?
C7G C10G H409 109.5 . . ?
C7G C10G H410 109.5 . . ?
H409 C10G H410 109.5 . . ?
C7G C10G H411 109.5 . . ?
H409 C10G H411 109.5 . . ?
H410 C10G H411 109.5 . . ?
C12G C11G C16G 120.0 . . ?
C12G C11G C5G 120.03(11) . . ?
C16G C11G C5G 119.96(10) . . ?
C13G C12G C11G 120.0 . . ?
C13G C12G H112 120.0 . . ?
C11G C12G H112 120.0 . . ?
C14G C13G C12G 120.0 . . ?
C14G C13G C17G 120.0 . . ?
C12G C13G C17G 120.0 . . ?
C13G C14G C15G 120.0 . . ?
C13G C14G H113 120.0 . . ?
C15G C14G H113 120.0 . . ?
C16G C15G C14G 120.0 . . ?
C16G C15G C21G 119.96(10) . . ?
C14G C15G C21G 120.04(10) . . ?
C15G C16G C11G 120.0 . . ?
C15G C16G H114 120.0 . . ?
C11G C16G H114 120.0 . . ?
C18G C17G C19G 109.79(7) . . ?
C18G C17G C20G 109.79(8) . . ?
C19G C17G C20G 109.79(6) . . ?
C18G C17G C13G 109.15(6) . . ?
C19G C17G C13G 109.15(9) . . ?
C20G C17G C13G 109.15(6) . . ?
C17G C18G H412 109.5 . . ?
C17G C18G H413 109.5 . . ?
H412 C18G H413 109.5 . . ?
C17G C18G H414 109.5 . . ?
H412 C18G H414 109.5 . . ?
H413 C18G H414 109.5 . . ?
C17G C19G H415 109.5 . . ?
C17G C19G H416 109.5 . . ?
H415 C19G H416 109.5 . . ?
C17G C19G H417 109.5 . . ?
H415 C19G H417 109.5 . . ?
H416 C19G H417 109.5 . . ?
C17G C20G H418 109.5 . . ?
C17G C20G H419 109.5 . . ?
H418 C20G H419 109.5 . . ?
C17G C20G H420 109.5 . . ?
H418 C20G H420 109.5 . . ?
H419 C20G H420 109.5 . . ?
C22G C21G C26G 120.0 . . ?
C22G C21G C15G 119.94(9) . . ?
C26G C21G C15G 120.06(9) . . ?
C23G C22G C21G 120.0 . . ?
C23G C22G H115 120.0 . . ?
C21G C22G H115 120.0 . . ?
C22G C23G C24G 120.0 . . ?
C22G C23G C27G 120.2 . . ?
C24G C23G C27G 119.8 . . ?
C25G C24G C23G 120.0 . . ?
C25G C24G H116 120.0 . . ?
C23G C24G H116 120.0 . . ?
C24G C25G C26G 120.0 . . ?
C24G C25G C31G 120.15(11) . . ?
C26G C25G C31G 119.83(11) . . ?
C25G C26G C21G 120.0 . . ?
C25G C26G H117 120.0 . . ?
C21G C26G H117 120.0 . . ?
C29G C27G C28G 109.79(5) . . ?
C29G C27G C30G 109.79(7) . . ?
C28G C27G C30G 109.79(8) . . ?
C29G C27G C23G 109.15(7) . . ?
C28G C27G C23G 109.15(8) . . ?
C30G C27G C23G 109.15(7) . . ?
C27G C28G H421 109.5 . . ?
C27G C28G H422 109.5 . . ?
H421 C28G H422 109.5 . . ?
C27G C28G H423 109.5 . . ?
H421 C28G H423 109.5 . . ?
H422 C28G H423 109.5 . . ?
C27G C29G H424 109.5 . . ?
C27G C29G H425 109.5 . . ?
H424 C29G H425 109.5 . . ?
C27G C29G H426 109.5 . . ?
H424 C29G H426 109.5 . . ?
H425 C29G H426 109.5 . . ?
C27G C30G H427 109.5 . . ?
C27G C30G H428 109.5 . . ?
H427 C30G H428 109.5 . . ?
C27G C30G H429 109.5 . . ?
H427 C30G H429 109.5 . . ?
H428 C30G H429 109.5 . . ?
C32G C31G C36G 120.0 . . ?
C32G C31G C25G 119.79(11) . . ?
C36G C31G C25G 120.21(10) . . ?
C33G C32G C31G 120.0 . . ?
C33G C32G H118 120.0 . . ?
C31G C32G H118 120.0 . . ?
C32G C33G C34G 120.0 . . ?
C32G C33G C5H 120.05(11) . . ?
C34G C33G C5H 119.95(11) . . ?
C33G C34G C35G 120.0 . . ?
C33G C34G H119 120.0 . . ?
C35G C34G H119 120.0 . . ?
C36G C35G C34G 120.0 . . ?
C36G C35G C37G 120.21(11) . . ?
C34G C35G C37G 119.79(11) . . ?
C35G C36G C31G 120.0 . . ?
C35G C36G H120 120.0 . . ?
C31G C36G H120 120.0 . . ?
C38G C37G C42G 120.0 . . ?
C38G C37G C35G 120.02(12) . . ?
C42G C37G C35G 119.98(11) . . ?
C39G C38G C37G 120.0 . . ?
C39G C38G H121 120.0 . . ?
C37G C38G H121 120.0 . . ?
C38G C39G C40G 120.0 . . ?
C38G C39G C43G 119.99(11) . . ?
C40G C39G C43G 120.00(11) . . ?
C41G C40G C39G 120.0 . . ?
C41G C40G H122 120.0 . . ?
C39G C40G H122 120.0 . . ?
C40G C41G C42G 120.0 . . ?
C40G C41G C47G 119.80(11) . . ?
C42G C41G C47G 120.19(10) . . ?
C41G C42G C37G 120.0 . . ?
C41G C42G H123 120.0 . . ?
C37G C42G H123 120.0 . . ?
C44G C43G C46G 109.79(7) . . ?
C44G C43G C45G 109.79(6) . . ?
C46G C43G C45G 109.79(8) . . ?
C44G C43G C39G 109.15(8) . . ?
C46G C43G C39G 109.15(7) . . ?
C45G C43G C39G 109.15(6) . . ?
C43G C44G H430 109.5 . . ?
C43G C44G H431 109.5 . . ?
H430 C44G H431 109.5 . . ?
C43G C44G H432 109.5 . . ?
H430 C44G H432 109.5 . . ?
H431 C44G H432 109.5 . . ?
C43G C45G H433 109.5 . . ?
C43G C45G H434 109.5 . . ?
H433 C45G H434 109.5 . . ?
C43G C45G H435 109.5 . . ?
H433 C45G H435 109.5 . . ?
H434 C45G H435 109.5 . . ?
C43G C46G H436 109.5 . . ?
C43G C46G H437 109.5 . . ?
H436 C46G H437 109.5 . . ?
C43G C46G H438 109.5 . . ?
H436 C46G H438 109.5 . . ?
H437 C46G H438 109.5 . . ?
C48G C47G C52G 120.0 . . ?
C48G C47G C41G 119.61(10) . . ?
C52G C47G C41G 120.39(11) . . ?
C49G C48G C47G 120.0 . . ?
C49G C48G H124 120.0 . . ?
C47G C48G H124 120.0 . . ?
C48G C49G C50G 120.0 . . ?
C48G C49G C53G 120.03(9) . . ?
C50G C49G C53G 119.97(10) . . ?
C49G C50G C51G 120.0 . . ?
C49G C50G H125 120.0 . . ?
C51G C50G H125 120.0 . . ?
C52G C51G C50G 120.0 . . ?
C52G C51G C57G 120.33(12) . . ?
C50G C51G C57G 119.67(12) . . ?
C51G C52G C47G 120.0 . . ?
C51G C52G H126 120.0 . . ?
C47G C52G H126 120.0 . . ?
C49G C53G C55G 109.83(14) . . ?
C49G C53G C54G 109.80(13) . . ?
C55G C53G C54G 109.10(13) . . ?
C49G C53G C56G 109.88(13) . . ?
C55G C53G C56G 109.11(13) . . ?
C54G C53G C56G 109.10(13) . . ?
C53G C54G H439 109.5 . . ?
C53G C54G H440 109.5 . . ?
H439 C54G H440 109.5 . . ?
C53G C54G H441 109.5 . . ?
H439 C54G H441 109.5 . . ?
H440 C54G H441 109.5 . . ?
C53G C55G H442 109.5 . . ?
C53G C55G H443 109.5 . . ?
H442 C55G H443 109.5 . . ?
C53G C55G H444 109.5 . . ?
H442 C55G H444 109.5 . . ?
H443 C55G H444 109.5 . . ?
C53G C56G H445 109.5 . . ?
C53G C56G H446 109.5 . . ?
H445 C56G H446 109.5 . . ?
C53G C56G H447 109.5 . . ?
H445 C56G H447 109.5 . . ?
H446 C56G H447 109.5 . . ?
C58G C57G C62G 120.0 . . ?
C58G C57G C51G 119.75(11) . . ?
C62G C57G C51G 120.24(11) . . ?
C59G C58G C57G 120.0 . . ?
C59G C58G H127 120.0 . . ?
C57G C58G H127 120.0 . . ?
C58G C59G C60G 120.0 . . ?
C58G C59G C63G 119.99(11) . . ?
C60G C59G C63G 120.01(10) . . ?
C61G C60G C59G 120.0 . . ?
C61G C60G H128 120.0 . . ?
C59G C60G H128 120.0 . . ?
C62G C61G C60G 120.0 . . ?
C62G C61G B3G 120.07(10) . . ?
C60G C61G B3G 119.92(10) . . ?
C61G C62G C57G 120.0 . . ?
C61G C62G H129 120.0 . . ?
C57G C62G H129 120.0 . . ?
C64G C63G C66G 109.79(7) . . ?
C64G C63G C65G 109.79(8) . . ?
C66G C63G C65G 109.79(8) . . ?
C64G C63G C59G 109.15(7) . . ?
C66G C63G C59G 109.15(8) . . ?
C65G C63G C59G 109.15(7) . . ?
C63G C64G H448 109.5 . . ?
C63G C64G H449 109.5 . . ?
H448 C64G H449 109.5 . . ?
C63G C64G H450 109.5 . . ?
H448 C64G H450 109.5 . . ?
H449 C64G H450 109.5 . . ?
C63G C65G H451 109.5 . . ?
C63G C65G H452 109.5 . . ?
H451 C65G H452 109.5 . . ?
C63G C65G H453 109.5 . . ?
H451 C65G H453 109.5 . . ?
H452 C65G H453 109.5 . . ?
C63G C66G H454 109.5 . . ?
C63G C66G H455 109.5 . . ?
H454 C66G H455 109.5 . . ?
C63G C66G H456 109.5 . . ?
H454 C66G H456 109.5 . . ?
H455 C66G H456 109.5 . . ?
O1G B1G O3G 120.0 . . ?
O1G B1G C61E 120.46(10) . . ?
O3G B1G C61E 119.54(11) . . ?
B2G O1G B1G 120.0 . . ?
O1G B2G O2G 120.0 . . ?
O1G B2G C61F 120.27(11) . . ?
O2G B2G C61F 119.72(10) . . ?
B3G O2G B2G 120.0 . . ?
O2G B3G O3G 120.0 . . ?
O2G B3G C61G 119.85(10) . . ?
O3G B3G C61G 120.15(11) . . ?
B3G O3G B1G 120.0 . . ?
C2H C1H C6H 120.0 . . ?
C2H C1H C33E 120.10(10) . . ?
C6H C1H C33E 119.61(11) . . ?
C3H C2H C1H 120.0 . . ?
C3H C2H H130 120.0 . . ?
C1H C2H H130 120.0 . . ?
C4H C3H C2H 120.0 . . ?
C4H C3H C33F 119.57(11) . . ?
C2H C3H C33F 120.32(10) . . ?
C3H C4H C5H 120.0 . . ?
C3H C4H H131 120.0 . . ?
C5H C4H H131 120.0 . . ?
C6H C5H C4H 120.0 . . ?
C6H C5H C33G 118.19(9) . . ?
C4H C5H C33G 120.96(10) . . ?
C5H C6H C1H 120.0 . . ?
C5H C6H H132 120.0 . . ?
C1H C6H H132 120.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
B1A O1A 1.3900 . ?
B1A O3A 1.3900 . ?
B1A C1A 1.550(3) . ?
O1A B2A 1.3900 . ?
B2A O2A 1.3900 . ?
B2A C1B 1.550(3) . ?
O2A B3A 1.3900 . ?
B3A O3A 1.3900 . ?
B3A C1C 1.550(3) . ?
C1A C2A 1.3900 . ?
C1A C6A 1.3900 . ?
C2A C3A 1.3900 . ?
C2A H16 0.9500 . ?
C3A C4A 1.3900 . ?
C3A C7A 1.534(2) . ?
C4A C5A 1.3900 . ?
C4A H17 0.9500 . ?
C5A C6A 1.3900 . ?
C5A C11A 1.491(3) . ?
C6A H18 0.9500 . ?
C7A C10A 1.5440(19) . ?
C7A C9A 1.546(2) . ?
C7A C8A 1.547(2) . ?
C8A H133 0.9800 . ?
C8A H134 0.9800 . ?
C8A H135 0.9800 . ?
C9A H136 0.9800 . ?
C9A H137 0.9800 . ?
C9A H138 0.9800 . ?
C10A H139 0.9800 . ?
C10A H140 0.9800 . ?
C10A H141 0.9800 . ?
C11A C12A 1.3900 . ?
C11A C16A 1.3900 . ?
C12A C13A 1.3900 . ?
C12A H19 0.9500 . ?
C13A C14A 1.3900 . ?
C13A C17A 1.534(2) . ?
C14A C15A 1.3900 . ?
C14A H20 0.9500 . ?
C15A C16A 1.3900 . ?
C15A C21A 1.490(3) . ?
C16A H21 0.9500 . ?
C17A C20A 1.5458(18) . ?
C17A C18A 1.5458(17) . ?
C17A C19A 1.546(2) . ?
C18A H142 0.9800 . ?
C18A H143 0.9800 . ?
C18A H144 0.9800 . ?
C19A H145 0.9800 . ?
C19A H146 0.9800 . ?
C19A H147 0.9800 . ?
C20A H148 0.9800 . ?
C20A H149 0.9800 . ?
C20A H150 0.9800 . ?
C21A C22A 1.3900 . ?
C21A C26A 1.3900 . ?
C22A C23A 1.3900 . ?
C22A H22 0.9500 . ?
C23A C24A 1.3900 . ?
C23A C27A 1.5524 . ?
C24A C25A 1.3900 . ?
C24A H23 0.9500 . ?
C25A C26A 1.3900 . ?
C25A C31A 1.489(3) . ?
C26A H24 0.9500 . ?
C27A C28A 1.5401(18) . ?
C27A C29A 1.5401(14) . ?
C27A C30A 1.5401(12) . ?
C28A H151 0.9800 . ?
C28A H152 0.9800 . ?
C28A H153 0.9800 . ?
C29A H154 0.9800 . ?
C29A H155 0.9800 . ?
C29A H156 0.9800 . ?
C30A H157 0.9800 . ?
C30A H158 0.9800 . ?
C30A H159 0.9800 . ?
C31A C32A 1.3900 . ?
C31A C36A 1.3900 . ?
C32A C33A 1.3900 . ?
C32A H25 0.9500 . ?
C33A C34A 1.3900 . ?
C33A C1D 1.491(3) . ?
C34A C35A 1.3900 . ?
C34A H26 0.9500 . ?
C35A C36A 1.3900 . ?
C35A C37A 1.491(3) . ?
C36A H27 0.9500 . ?
C37A C38A 1.3900 . ?
C37A C42A 1.3900 . ?
C38A C39A 1.3900 . ?
C38A H52 0.9500 . ?
C39A C40A 1.3900 . ?
C39A C43A 1.5524 . ?
C40A C41A 1.3900 . ?
C40A H53 0.9500 . ?
C41A C42A 1.3900 . ?
C41A C47A 1.489(2) . ?
C42A H54 0.9500 . ?
C43A C45A 1.5401(13) . ?
C43A C46A 1.5401(13) . ?
C43A C44A 1.5401(16) . ?
C44A H160 0.9800 . ?
C44A H161 0.9800 . ?
C44A H162 0.9800 . ?
C45A H163 0.9800 . ?
C45A H164 0.9800 . ?
C45A H165 0.9800 . ?
C46A H166 0.9800 . ?
C46A H167 0.9800 . ?
C46A H168 0.9800 . ?
C47A C48A 1.3900 . ?
C47A C52A 1.3900 . ?
C48A C49A 1.3900 . ?
C48A H55 0.9500 . ?
C49A C50A 1.3900 . ?
C49A C53A 1.5524 . ?
C50A C51A 1.3900 . ?
C50A H56 0.9500 . ?
C51A C52A 1.3900 . ?
C51A C57A 1.488(3) . ?
C52A H57 0.9500 . ?
C53A C56A 1.5401(13) . ?
C53A C54A 1.5401(18) . ?
C53A C55A 1.5401(13) . ?
C54A H169 0.9800 . ?
C54A H170 0.9800 . ?
C54A H171 0.9800 . ?
C55A H172 0.9800 . ?
C55A H173 0.9800 . ?
C55A H174 0.9800 . ?
C56A H175 0.9800 . ?
C56A H176 0.9800 . ?
C56A H177 0.9800 . ?
C57A C58A 1.3900 . ?
C57A C62A 1.3900 . ?
C58A C59A 1.3900 . ?
C58A H58 0.9500 . ?
C59A C60A 1.3900 . ?
C59A C63A 1.534(2) . ?
C60A C61A 1.3900 . ?
C60A H59 0.9500 . ?
C61A C62A 1.3900 . ?
C61A B1C 1.550(3) . ?
C62A H60 0.9500 . ?
C63A C66A 1.5441(18) . ?
C63A C64A 1.546(2) . ?
C63A C65A 1.5468(17) . ?
C64A H178 0.9800 . ?
C64A H179 0.9800 . ?
C64A H180 0.9800 . ?
C65A H181 0.9800 . ?
C65A H182 0.9800 . ?
C65A H183 0.9800 . ?
C66A H184 0.9800 . ?
C66A H185 0.9800 . ?
C66A H186 0.9800 . ?
C1B C2B 1.3900 . ?
C1B C6B 1.3900 . ?
C2B C3B 1.3900 . ?
C2B H1 0.9500 . ?
C3B C4B 1.3900 . ?
C3B C7B 1.533(3) . ?
C4B C5B 1.3900 . ?
C4B H2 0.9500 . ?
C5B C6B 1.3900 . ?
C5B C11B 1.490(3) . ?
C6B H3 0.9500 . ?
C7B C8B 1.5439(18) . ?
C7B C10B 1.5466(18) . ?
C7B C9B 1.547(2) . ?
C8B H187 0.9800 . ?
C8B H188 0.9800 . ?
C8B H189 0.9800 . ?
C9B H190 0.9800 . ?
C9B H191 0.9800 . ?
C9B H192 0.9800 . ?
C10B H193 0.9800 . ?
C10B H194 0.9800 . ?
C10B H195 0.9800 . ?
C11B C12B 1.3900 . ?
C11B C16B 1.3900 . ?
C12B C13B 1.3900 . ?
C12B H4 0.9500 . ?
C13B C14B 1.3900 . ?
C13B C17B 1.5524 . ?
C14B C15B 1.3900 . ?
C14B H5 0.9500 . ?
C15B C16B 1.3900 . ?
C15B C21B 1.490(3) . ?
C16B H6 0.9500 . ?
C17B C19B 1.5401(12) . ?
C17B C20B 1.5401(13) . ?
C17B C18B 1.5401(17) . ?
C18B H196 0.9800 . ?
C18B H197 0.9800 . ?
C18B H198 0.9800 . ?
C19B H199 0.9800 . ?
C19B H200 0.9800 . ?
C19B H201 0.9800 . ?
C20B H202 0.9800 . ?
C20B H203 0.9800 . ?
C20B H204 0.9800 . ?
C21B C22B 1.3900 . ?
C21B C26B 1.3900 . ?
C22B C23B 1.3900 . ?
C22B H7 0.9500 . ?
C23B C24B 1.3900 . ?
C23B C27B 1.5524 . ?
C24B C25B 1.3900 . ?
C24B H8 0.9500 . ?
C25B C26B 1.3900 . ?
C25B C31B 1.490(3) . ?
C26B H9 0.9500 . ?
C27B C29B 1.5401(12) . ?
C27B C30B 1.5401(15) . ?
C27B C28B 1.5401(18) . ?
C28B H205 0.9800 . ?
C28B H206 0.9800 . ?
C28B H207 0.9800 . ?
C29B H208 0.9800 . ?
C29B H209 0.9800 . ?
C29B H210 0.9800 . ?
C30B H211 0.9800 . ?
C30B H212 0.9800 . ?
C30B H213 0.9800 . ?
C31B C32B 1.3900 . ?
C31B C36B 1.3900 . ?
C32B C33B 1.3900 . ?
C32B H10 0.9500 . ?
C33B C34B 1.3900 . ?
C33B C3D 1.490(3) . ?
C34B C35B 1.3900 . ?
C34B H11 0.9500 . ?
C35B C36B 1.3900 . ?
C35B C37B 1.492(3) . ?
C36B H12 0.9500 . ?
C37B C38B 1.3900 . ?
C37B C42B 1.3900 . ?
C38B C39B 1.3900 . ?
C38B H43 0.9500 . ?
C39B C40B 1.3900 . ?
C39B C43B 1.5523 . ?
C40B C41B 1.3900 . ?
C40B H44 0.9500 . ?
C41B C42B 1.3900 . ?
C41B C47B 1.490(3) . ?
C42B H45 0.9500 . ?
C43B C46B 1.5401(12) . ?
C43B C45B 1.5401(13) . ?
C43B C44B 1.5401(18) . ?
C44B H214 0.9800 . ?
C44B H215 0.9800 . ?
C44B H216 0.9800 . ?
C45B H217 0.9800 . ?
C45B H218 0.9800 . ?
C45B H219 0.9800 . ?
C46B H220 0.9800 . ?
C46B H221 0.9800 . ?
C46B H222 0.9800 . ?
C47B C48B 1.3900 . ?
C47B C52B 1.3900 . ?
C48B C49B 1.3900 . ?
C48B H46 0.9500 . ?
C49B C50B 1.3900 . ?
C49B C53B 1.5524 . ?
C50B C51B 1.3900 . ?
C50B H47 0.9500 . ?
C51B C52B 1.3900 . ?
C51B C57B 1.489(2) . ?
C52B H48 0.9500 . ?
C53B C56B 1.5401(15) . ?
C53B C55B 1.5401(12) . ?
C53B C54B 1.5401(17) . ?
C54B H223 0.9800 . ?
C54B H224 0.9800 . ?
C54B H225 0.9800 . ?
C55B H226 0.9800 . ?
C55B H227 0.9800 . ?
C55B H228 0.9800 . ?
C56B H229 0.9800 . ?
C56B H230 0.9800 . ?
C56B H231 0.9800 . ?
C57B C58B 1.3900 . ?
C57B C62B 1.3900 . ?
C58B C59B 1.3900 . ?
C58B H49 0.9500 . ?
C59B C60B 1.3900 . ?
C59B C63B 1.5524 . ?
C60B C61B 1.3900 . ?
C60B H50 0.9500 . ?
C61B C62B 1.3900 . ?
C61B B2C 1.549(3) . ?
C62B H51 0.9500 . ?
C63B C65B 1.5401(12) . ?
C63B C64B 1.5401(18) . ?
C63B C66B 1.5401(14) . ?
C64B H232 0.9800 . ?
C64B H233 0.9800 . ?
C64B H234 0.9800 . ?
C65B H235 0.9800 . ?
C65B H236 0.9800 . ?
C65B H237 0.9800 . ?
C66B H238 0.9800 . ?
C66B H239 0.9800 . ?
C66B H240 0.9800 . ?
C1C C2C 1.3900 . ?
C1C C6C 1.3900 . ?
C2C C3C 1.3900 . ?
C2C H28 0.9500 . ?
C3C C4C 1.3900 . ?
C3C C7C 1.5524 . ?
C4C C5C 1.3900 . ?
C4C H29 0.9500 . ?
C5C C6C 1.3900 . ?
C5C C11C 1.491(3) . ?
C6C H30 0.9500 . ?
C7C C9C 1.5401(17) . ?
C7C C10C 1.5401(17) . ?
C7C C8C 1.5401(13) . ?
C8C H241 0.9800 . ?
C8C H242 0.9800 . ?
C8C H243 0.9800 . ?
C9C H244 0.9800 . ?
C9C H245 0.9800 . ?
C9C H246 0.9800 . ?
C10C H247 0.9800 . ?
C10C H248 0.9800 . ?
C10C H249 0.9800 . ?
C11C C12C 1.3900 . ?
C11C C16C 1.3900 . ?
C12C C13C 1.3900 . ?
C12C H61 0.9500 . ?
C13C C14C 1.3900 . ?
C13C C17C 1.534(2) . ?
C14C C15C 1.3900 . ?
C14C H62 0.9500 . ?
C15C C16C 1.3900 . ?
C15C C21C 1.490(3) . ?
C16C H63 0.9500 . ?
C17C C18C 1.545(2) . ?
C17C C20C 1.5461(19) . ?
C17C C19C 1.546(2) . ?
C18C H250 0.9800 . ?
C18C H251 0.9800 . ?
C18C H252 0.9800 . ?
C19C H253 0.9800 . ?
C19C H254 0.9800 . ?
C19C H255 0.9800 . ?
C20C H256 0.9800 . ?
C20C H257 0.9800 . ?
C20C H258 0.9800 . ?
C21C C22C 1.3900 . ?
C21C C26C 1.3900 . ?
C22C C23C 1.3900 . ?
C22C H64 0.9500 . ?
C23C C24C 1.3900 . ?
C23C C27C 1.5524 . ?
C24C C25C 1.3900 . ?
C24C H65 0.9500 . ?
C25C C26C 1.3900 . ?
C25C C31C 1.489(3) . ?
C26C H66 0.9500 . ?
C27C C28C 1.5401(13) . ?
C27C C30C 1.5401(16) . ?
C27C C29C 1.5401(13) . ?
C28C H259 0.9800 . ?
C28C H260 0.9800 . ?
C28C H261 0.9800 . ?
C29C H262 0.9800 . ?
C29C H263 0.9800 . ?
C29C H264 0.9800 . ?
C30C H265 0.9800 . ?
C30C H266 0.9800 . ?
C30C H267 0.9800 . ?
C31C C32C 1.3900 . ?
C31C C36C 1.3900 . ?
C32C C33C 1.3900 . ?
C32C H31 0.9500 . ?
C33C C34C 1.3900 . ?
C33C C5D 1.489(3) . ?
C34C C35C 1.3900 . ?
C34C H32 0.9500 . ?
C35C C36C 1.3900 . ?
C35C C37C 1.489(3) . ?
C36C H33 0.9500 . ?
C37C C38C 1.3900 . ?
C37C C42C 1.3900 . ?
C38C C39C 1.3900 . ?
C38C H34 0.9500 . ?
C39C C40C 1.3900 . ?
C39C C43C 1.5524 . ?
C40C C41C 1.3900 . ?
C40C H35 0.9500 . ?
C41C C42C 1.3900 . ?
C41C C47C 1.489(3) . ?
C42C H36 0.9500 . ?
C43C C45C 1.5401(12) . ?
C43C C46C 1.5401(13) . ?
C43C C44C 1.5401(18) . ?
C44C H268 0.9800 . ?
C44C H269 0.9800 . ?
C44C H270 0.9800 . ?
C45C H271 0.9800 . ?
C45C H272 0.9800 . ?
C45C H273 0.9800 . ?
C46C H274 0.9800 . ?
C46C H275 0.9800 . ?
C46C H276 0.9800 . ?
C47C C48C 1.3900 . ?
C47C C52C 1.3900 . ?
C48C C49C 1.3900 . ?
C48C H37 0.9500 . ?
C49C C50C 1.3900 . ?
C49C C53C 1.5524 . ?
C50C C51C 1.3900 . ?
C50C H38 0.9500 . ?
C51C C52C 1.3900 . ?
C51C C57C 1.490(2) . ?
C52C H39 0.9500 . ?
C53C C55C 1.5401(13) . ?
C53C C56C 1.5401(18) . ?
C53C C54C 1.5401(13) . ?
C54C H277 0.9800 . ?
C54C H278 0.9800 . ?
C54C H279 0.9800 . ?
C55C H280 0.9800 . ?
C55C H281 0.9800 . ?
C55C H282 0.9800 . ?
C56C H283 0.9800 . ?
C56C H284 0.9800 . ?
C56C H285 0.9800 . ?
C57C C58C 1.3900 . ?
C57C C62C 1.3900 . ?
C58C C59C 1.3900 . ?
C58C H40 0.9500 . ?
C59C C60C 1.3900 . ?
C59C C63C 1.5524 . ?
C60C C61C 1.3900 . ?
C60C H41 0.9500 . ?
C61C C62C 1.3900 . ?
C61C B3C 1.551(3) . ?
C62C H42 0.9500 . ?
C63C C66C 1.5401(14) . ?
C63C C65C 1.5401(18) . ?
C63C C64C 1.5401(13) . ?
C64C H286 0.9800 . ?
C64C H287 0.9800 . ?
C64C H288 0.9800 . ?
C65C H289 0.9800 . ?
C65C H290 0.9800 . ?
C65C H291 0.9800 . ?
C66C H292 0.9800 . ?
C66C H293 0.9800 . ?
C66C H294 0.9800 . ?
B1C O1C 1.3900 . ?
B1C O3C 1.3900 . ?
O1C B2C 1.3900 . ?
B2C O2C 1.3900 . ?
O2C B3C 1.3900 . ?
B3C O3C 1.3900 . ?
C1D C2D 1.3900 . ?
C1D C6D 1.3900 . ?
C2D C3D 1.3900 . ?
C2D H13 0.9500 . ?
C3D C4D 1.3900 . ?
C4D C5D 1.3900 . ?
C4D H14 0.9500 . ?
C5D C6D 1.3900 . ?
C6D H15 0.9500 . ?
B1E O1E 1.3900 . ?
B1E O3E 1.3900 . ?
B1E C1E 1.551(3) . ?
O1E B2E 1.3900 . ?
B2E O2E 1.3900 . ?
B2E C1F 1.549(2) . ?
O2E B3E 1.3900 . ?
B3E O3E 1.3900 . ?
B3E C1G 1.549(3) . ?
C1E C2E 1.3900 . ?
C1E C6E 1.3900 . ?
C2E C3E 1.3900 . ?
C2E H67 0.9500 . ?
C3E C4E 1.3900 . ?
C3E C7E 1.5524 . ?
C4E C5E 1.3900 . ?
C4E H68 0.9500 . ?
C5E C6E 1.3900 . ?
C5E C11E 1.489(2) . ?
C6E H69 0.9500 . ?
C7E C10E 1.5401(12) . ?
C7E C9E 1.5401(18) . ?
C7E C8E 1.5401(12) . ?
C8E H295 0.9800 . ?
C8E H296 0.9800 . ?
C8E H297 0.9800 . ?
C9E H298 0.9800 . ?
C9E H299 0.9800 . ?
C9E H300 0.9800 . ?
C10E H301 0.9800 . ?
C10E H302 0.9800 . ?
C10E H303 0.9800 . ?
C11E C12E 1.3900 . ?
C11E C16E 1.3900 . ?
C12E C13E 1.3900 . ?
C12E H70 0.9500 . ?
C13E C14E 1.3900 . ?
C13E C17E 1.5524 . ?
C14E C15E 1.3900 . ?
C14E H71 0.9500 . ?
C15E C16E 1.3900 . ?
C15E C21E 1.488(3) . ?
C16E H72 0.9500 . ?
C17E C20E 1.5401(16) . ?
C17E C18E 1.5401(14) . ?
C17E C19E 1.5401(17) . ?
C18E H304 0.9800 . ?
C18E H305 0.9800 . ?
C18E H306 0.9800 . ?
C19E H307 0.9800 . ?
C19E H308 0.9800 . ?
C19E H309 0.9800 . ?
C20E H310 0.9800 . ?
C20E H311 0.9800 . ?
C20E H312 0.9800 . ?
C21E C22E 1.3900 . ?
C21E C26E 1.3900 . ?
C22E C23E 1.3900 . ?
C22E H73 0.9500 . ?
C23E C24E 1.3900 . ?
C23E C27E 1.5524 . ?
C24E C25E 1.3900 . ?
C24E H74 0.9500 . ?
C25E C26E 1.3900 . ?
C25E C31E 1.489(3) . ?
C26E H75 0.9500 . ?
C27E C30E 1.5401(12) . ?
C27E C28E 1.5401(18) . ?
C27E C29E 1.5401(13) . ?
C28E H313 0.9800 . ?
C28E H314 0.9800 . ?
C28E H315 0.9800 . ?
C29E H316 0.9800 . ?
C29E H317 0.9800 . ?
C29E H318 0.9800 . ?
C30E H319 0.9800 . ?
C30E H320 0.9800 . ?
C30E H321 0.9800 . ?
C31E C32E 1.3900 . ?
C31E C36E 1.3900 . ?
C32E C33E 1.3900 . ?
C32E H76 0.9500 . ?
C33E C34E 1.3900 . ?
C33E C1H 1.492(3) . ?
C34E C35E 1.3900 . ?
C34E H77 0.9500 . ?
C35E C36E 1.3900 . ?
C35E C37E 1.489(3) . ?
C36E H78 0.9500 . ?
C37E C38E 1.3900 . ?
C37E C42E 1.3900 . ?
C38E C39E 1.3900 . ?
C38E H79 0.9500 . ?
C39E C40E 1.3900 . ?
C39E C43E 1.5524 . ?
C40E C41E 1.3900 . ?
C40E H80 0.9500 . ?
C41E C42E 1.3900 . ?
C41E C47E 1.488(2) . ?
C42E H81 0.9500 . ?
C43E C44E 1.5401(15) . ?
C43E C46E 1.5401(16) . ?
C43E C45E 1.5401(11) . ?
C44E H322 0.9800 . ?
C44E H323 0.9800 . ?
C44E H324 0.9800 . ?
C45E H325 0.9800 . ?
C45E H326 0.9800 . ?
C45E H327 0.9800 . ?
C46E H328 0.9800 . ?
C46E H329 0.9800 . ?
C46E H330 0.9800 . ?
C47E C48E 1.3900 . ?
C47E C52E 1.3900 . ?
C48E C49E 1.3900 . ?
C48E H82 0.9500 . ?
C49E C50E 1.3900 . ?
C49E C53E 1.5524 . ?
C50E C51E 1.3900 . ?
C50E H83 0.9500 . ?
C51E C52E 1.3900 . ?
C51E C57E 1.481(2) . ?
C52E H84 0.9500 . ?
C53E C55E 1.5401(14) . ?
C53E C56E 1.5401(17) . ?
C53E C54E 1.5401(17) . ?
C54E H331 0.9800 . ?
C54E H332 0.9800 . ?
C54E H333 0.9800 . ?
C55E H334 0.9800 . ?
C55E H335 0.9800 . ?
C55E H336 0.9800 . ?
C56E H337 0.9800 . ?
C56E H338 0.9800 . ?
C56E H339 0.9800 . ?
C57E C58E 1.3900 . ?
C57E C62E 1.3900 . ?
C58E C59E 1.3900 . ?
C58E H85 0.9500 . ?
C59E C60E 1.3900 . ?
C59E C63E 1.5524 . ?
C60E C61E 1.3900 . ?
C60E H86 0.9500 . ?
C61E C62E 1.3900 . ?
C61E B1G 1.561(2) . ?
C62E H87 0.9500 . ?
C63E C64E 1.5401(17) . ?
C63E C66E 1.5401(16) . ?
C63E C65E 1.5401(16) . ?
C64E H340 0.9800 . ?
C64E H341 0.9800 . ?
C64E H342 0.9800 . ?
C65E H343 0.9800 . ?
C65E H344 0.9800 . ?
C65E H345 0.9800 . ?
C66E H346 0.9800 . ?
C66E H347 0.9800 . ?
C66E H348 0.9800 . ?
C1F C2F 1.3900 . ?
C1F C6F 1.3900 . ?
C2F C3F 1.3900 . ?
C2F H88 0.9500 . ?
C3F C4F 1.3900 . ?
C3F C7F 1.5511 . ?
C4F C5F 1.3900 . ?
C4F H89 0.9500 . ?
C5F C6F 1.3900 . ?
C5F C11F 1.488(2) . ?
C6F H90 0.9500 . ?
C7F C10F 1.5404(15) . ?
C7F C9F 1.5404(15) . ?
C7F C8F 1.5404(14) . ?
C8F H349 0.9800 . ?
C8F H350 0.9800 . ?
C8F H351 0.9800 . ?
C9F H352 0.9800 . ?
C9F H353 0.9800 . ?
C9F H354 0.9800 . ?
C10F H355 0.9800 . ?
C10F H356 0.9800 . ?
C10F H357 0.9800 . ?
C11F C12F 1.3900 . ?
C11F C16F 1.3900 . ?
C12F C13F 1.3900 . ?
C12F H91 0.9500 . ?
C13F C14F 1.3900 . ?
C13F C17F 1.5511 . ?
C14F C15F 1.3900 . ?
C14F H92 0.9500 . ?
C15F C16F 1.3900 . ?
C15F C21F 1.489(3) . ?
C16F H93 0.9500 . ?
C17F C20F 1.5404(18) . ?
C17F C19F 1.5404(13) . ?
C17F C18F 1.5404(12) . ?
C18F H358 0.9800 . ?
C18F H359 0.9800 . ?
C18F H360 0.9800 . ?
C19F H361 0.9800 . ?
C19F H362 0.9800 . ?
C19F H363 0.9800 . ?
C20F H364 0.9800 . ?
C20F H365 0.9800 . ?
C20F H366 0.9800 . ?
C21F C22F 1.3900 . ?
C21F C26F 1.3900 . ?
C22F C23F 1.3900 . ?
C22F H94 0.9500 . ?
C23F C24F 1.3900 . ?
C23F C27F 1.5511 . ?
C24F C25F 1.3900 . ?
C24F H95 0.9500 . ?
C25F C26F 1.3900 . ?
C25F C31F 1.492(3) . ?
C26F H96 0.9500 . ?
C27F C28F 1.5404(12) . ?
C27F C30F 1.5404(18) . ?
C27F C29F 1.5404(16) . ?
C28F H367 0.9800 . ?
C28F H368 0.9800 . ?
C28F H369 0.9800 . ?
C29F H370 0.9800 . ?
C29F H371 0.9800 . ?
C29F H372 0.9800 . ?
C30F H373 0.9800 . ?
C30F H374 0.9800 . ?
C30F H375 0.9800 . ?
C31F C32F 1.3900 . ?
C31F C36F 1.3900 . ?
C32F C33F 1.3900 . ?
C32F H97 0.9500 . ?
C33F C34F 1.3900 . ?
C33F C3H 1.489(3) . ?
C34F C35F 1.3900 . ?
C34F H98 0.9500 . ?
C35F C36F 1.3900 . ?
C35F C37F 1.491(2) . ?
C36F H99 0.9500 . ?
C37F C38F 1.3900 . ?
C37F C42F 1.3900 . ?
C38F C39F 1.3900 . ?
C38F H100 0.9500 . ?
C39F C40F 1.3900 . ?
C39F C43F 1.5390 . ?
C40F C41F 1.3900 . ?
C40F H101 0.9500 . ?
C41F C42F 1.3900 . ?
C41F C47F 1.491(2) . ?
C42F H102 0.9500 . ?
C43F C46F 1.5434(18) . ?
C43F C44F 1.5434(17) . ?
C43F C45F 1.5434(15) . ?
C44F H376 0.9800 . ?
C44F H377 0.9800 . ?
C44F H378 0.9800 . ?
C45F H379 0.9800 . ?
C45F H380 0.9800 . ?
C45F H381 0.9800 . ?
C46F H382 0.9800 . ?
C46F H383 0.9800 . ?
C46F H384 0.9800 . ?
C47F C48F 1.3900 . ?
C47F C52F 1.3900 . ?
C48F C49F 1.3900 . ?
C48F H103 0.9500 . ?
C49F C50F 1.3900 . ?
C49F C53F 1.5205(18) . ?
C50F C51F 1.3900 . ?
C50F H104 0.9500 . ?
C51F C52F 1.3900 . ?
C51F C57F 1.4907(18) . ?
C52F H105 0.9500 . ?
C53F C54F 1.5498(19) . ?
C53F C55F 1.550(2) . ?
C53F C56F 1.550(2) . ?
C54F H385 0.9800 . ?
C54F H386 0.9800 . ?
C54F H387 0.9800 . ?
C55F H388 0.9800 . ?
C55F H389 0.9800 . ?
C55F H390 0.9800 . ?
C56F H391 0.9800 . ?
C56F H392 0.9800 . ?
C56F H393 0.9800 . ?
C57F C58F 1.3900 . ?
C57F C62F 1.3900 . ?
C58F C59F 1.3900 . ?
C58F H106 0.9500 . ?
C59F C60F 1.3900 . ?
C59F C63F 1.5511 . ?
C60F C61F 1.3900 . ?
C60F H107 0.9500 . ?
C61F C62F 1.3900 . ?
C61F B2G 1.550(3) . ?
C62F H108 0.9500 . ?
C63F C65F 1.5404(16) . ?
C63F C64F 1.5404(12) . ?
C63F C66F 1.5404(13) . ?
C64F H394 0.9800 . ?
C64F H395 0.9800 . ?
C64F H396 0.9800 . ?
C65F H397 0.9800 . ?
C65F H398 0.9800 . ?
C65F H399 0.9800 . ?
C66F H400 0.9800 . ?
C66F H401 0.9800 . ?
C66F H402 0.9800 . ?
C1G C2G 1.3900 . ?
C1G C6G 1.3900 . ?
C2G C3G 1.3900 . ?
C2G H109 0.9500 . ?
C3G C4G 1.3900 . ?
C3G C7G 1.5524 . ?
C4G C5G 1.3900 . ?
C4G H110 0.9500 . ?
C5G C6G 1.3900 . ?
C5G C11G 1.477(2) . ?
C6G H111 0.9500 . ?
C7G C10G 1.5401(12) . ?
C7G C8G 1.5401(14) . ?
C7G C9G 1.5401(18) . ?
C8G H403 0.9800 . ?
C8G H404 0.9800 . ?
C8G H405 0.9800 . ?
C9G H406 0.9800 . ?
C9G H407 0.9800 . ?
C9G H408 0.9800 . ?
C10G H409 0.9800 . ?
C10G H410 0.9800 . ?
C10G H411 0.9800 . ?
C11G C12G 1.3900 . ?
C11G C16G 1.3900 . ?
C12G C13G 1.3900 . ?
C12G H112 0.9500 . ?
C13G C14G 1.3900 . ?
C13G C17G 1.5524 . ?
C14G C15G 1.3900 . ?
C14G H113 0.9500 . ?
C15G C16G 1.3900 . ?
C15G C21G 1.506(2) . ?
C16G H114 0.9500 . ?
C17G C18G 1.5401(17) . ?
C17G C19G 1.5401(18) . ?
C17G C20G 1.5401(13) . ?
C18G H412 0.9800 . ?
C18G H413 0.9800 . ?
C18G H414 0.9800 . ?
C19G H415 0.9800 . ?
C19G H416 0.9800 . ?
C19G H417 0.9800 . ?
C20G H418 0.9800 . ?
C20G H419 0.9800 . ?
C20G H420 0.9800 . ?
C21G C22G 1.3900 . ?
C21G C26G 1.3900 . ?
C22G C23G 1.3900 . ?
C22G H115 0.9500 . ?
C23G C24G 1.3900 . ?
C23G C27G 1.5524 . ?
C24G C25G 1.3900 . ?
C24G H116 0.9500 . ?
C25G C26G 1.3900 . ?
C25G C31G 1.492(2) . ?
C26G H117 0.9500 . ?
C27G C29G 1.5401(16) . ?
C27G C28G 1.5401(11) . ?
C27G C30G 1.5401(16) . ?
C28G H421 0.9800 . ?
C28G H422 0.9800 . ?
C28G H423 0.9800 . ?
C29G H424 0.9800 . ?
C29G H425 0.9800 . ?
C29G H426 0.9800 . ?
C30G H427 0.9800 . ?
C30G H428 0.9800 . ?
C30G H429 0.9800 . ?
C31G C32G 1.3900 . ?
C31G C36G 1.3900 . ?
C32G C33G 1.3900 . ?
C32G H118 0.9500 . ?
C33G C34G 1.3900 . ?
C33G C5H 1.518(2) . ?
C34G C35G 1.3900 . ?
C34G H119 0.9500 . ?
C35G C36G 1.3900 . ?
C35G C37G 1.487(3) . ?
C36G H120 0.9500 . ?
C37G C38G 1.3900 . ?
C37G C42G 1.3900 . ?
C38G C39G 1.3900 . ?
C38G H121 0.9500 . ?
C39G C40G 1.3900 . ?
C39G C43G 1.5524 . ?
C40G C41G 1.3900 . ?
C40G H122 0.9500 . ?
C41G C42G 1.3900 . ?
C41G C47G 1.491(3) . ?
C42G H123 0.9500 . ?
C43G C44G 1.5401(17) . ?
C43G C46G 1.5401(17) . ?
C43G C45G 1.5401(13) . ?
C44G H430 0.9800 . ?
C44G H431 0.9800 . ?
C44G H432 0.9800 . ?
C45G H433 0.9800 . ?
C45G H434 0.9800 . ?
C45G H435 0.9800 . ?
C46G H436 0.9800 . ?
C46G H437 0.9800 . ?
C46G H438 0.9800 . ?
C47G C48G 1.3900 . ?
C47G C52G 1.3900 . ?
C48G C49G 1.3900 . ?
C48G H124 0.9500 . ?
C49G C50G 1.3900 . ?
C49G C53G 1.532(3) . ?
C50G C51G 1.3900 . ?
C50G H125 0.9500 . ?
C51G C52G 1.3900 . ?
C51G C57G 1.494(3) . ?
C52G H126 0.9500 . ?
C53G C55G 1.5453(18) . ?
C53G C54G 1.5455(19) . ?
C53G C56G 1.545(2) . ?
C54G H439 0.9800 . ?
C54G H440 0.9800 . ?
C54G H441 0.9800 . ?
C55G H442 0.9800 . ?
C55G H443 0.9800 . ?
C55G H444 0.9800 . ?
C56G H445 0.9800 . ?
C56G H446 0.9800 . ?
C56G H447 0.9800 . ?
C57G C58G 1.3900 . ?
C57G C62G 1.3900 . ?
C58G C59G 1.3900 . ?
C58G H127 0.9500 . ?
C59G C60G 1.3900 . ?
C59G C63G 1.5524 . ?
C60G C61G 1.3900 . ?
C60G H128 0.9500 . ?
C61G C62G 1.3900 . ?
C61G B3G 1.552(3) . ?
C62G H129 0.9500 . ?
C63G C64G 1.5401(13) . ?
C63G C66G 1.5401(18) . ?
C63G C65G 1.5401(14) . ?
C64G H448 0.9800 . ?
C64G H449 0.9800 . ?
C64G H450 0.9800 . ?
C65G H451 0.9800 . ?
C65G H452 0.9800 . ?
C65G H453 0.9800 . ?
C66G H454 0.9800 . ?
C66G H455 0.9800 . ?
C66G H456 0.9800 . ?
B1G O1G 1.3900 . ?
B1G O3G 1.3900 . ?
O1G B2G 1.3900 . ?
B2G O2G 1.3900 . ?
O2G B3G 1.3900 . ?
B3G O3G 1.3900 . ?
C1H C2H 1.3900 . ?
C1H C6H 1.3900 . ?
C2H C3H 1.3900 . ?
C2H H130 0.9500 . ?
C3H C4H 1.3900 . ?
C4H C5H 1.3900 . ?
C4H H131 0.9500 . ?
C5H C6H 1.3900 . ?
C6H H132 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3A B1A O1A B2A 0.0 . . . . ?
C1A B1A O1A B2A 179.5(3) . . . . ?
B1A O1A B2A O2A 0.0 . . . . ?
B1A O1A B2A C1B -179.5(3) . . . . ?
O1A B2A O2A B3A 0.0 . . . . ?
C1B B2A O2A B3A 179.5(3) . . . . ?
B2A O2A B3A O3A 0.0 . . . . ?
B2A O2A B3A C1C -179.5(3) . . . . ?
O2A B3A O3A B1A 0.0 . . . . ?
C1C B3A O3A B1A 179.5(3) . . . . ?
O1A B1A O3A B3A 0.0 . . . . ?
C1A B1A O3A B3A -179.5(3) . . . . ?
O1A B1A C1A C2A -150.2(2) . . . . ?
O3A B1A C1A C2A 29.3(3) . . . . ?
O1A B1A C1A C6A 29.2(3) . . . . ?
O3A B1A C1A C6A -151.3(2) . . . . ?
C6A C1A C2A C3A 0.0 . . . . ?
B1A C1A C2A C3A 179.36(18) . . . . ?
C1A C2A C3A C4A 0.0 . . . . ?
C1A C2A C3A C7A -179.4(2) . . . . ?
C2A C3A C4A C5A 0.0 . . . . ?
C7A C3A C4A C5A 179.4(2) . . . . ?
C3A C4A C5A C6A 0.0 . . . . ?
C3A C4A C5A C11A -179.4(2) . . . . ?
C4A C5A C6A C1A 0.0 . . . . ?
C11A C5A C6A C1A 179.4(2) . . . . ?
C2A C1A C6A C5A 0.0 . . . . ?
B1A C1A C6A C5A -179.36(18) . . . . ?
C4A C3A C7A C10A 31.5(2) . . . . ?
C2A C3A C7A C10A -149.05(9) . . . . ?
C4A C3A C7A C9A -88.7(2) . . . . ?
C2A C3A C7A C9A 90.77(13) . . . . ?
C4A C3A C7A C8A 151.6(2) . . . . ?
C2A C3A C7A C8A -29.01(12) . . . . ?
C4A C5A C11A C12A 50.4(3) . . . . ?
C6A C5A C11A C12A -128.93(19) . . . . ?
C4A C5A C11A C16A -130.1(2) . . . . ?
C6A C5A C11A C16A 50.5(3) . . . . ?
C16A C11A C12A C13A 0.0 . . . . ?
C5A C11A C12A C13A 179.4(2) . . . . ?
C11A C12A C13A C14A 0.0 . . . . ?
C11A C12A C13A C17A -179.8(3) . . . . ?
C12A C13A C14A C15A 0.0 . . . . ?
C17A C13A C14A C15A 179.8(3) . . . . ?
C13A C14A C15A C16A 0.0 . . . . ?
C13A C14A C15A C21A -179.7(3) . . . . ?
C14A C15A C16A C11A 0.0 . . . . ?
C21A C15A C16A C11A 179.7(3) . . . . ?
C12A C11A C16A C15A 0.0 . . . . ?
C5A C11A C16A C15A -179.4(2) . . . . ?
C14A C13A C17A C20A 120.7(3) . . . . ?
C12A C13A C17A C20A -59.49(16) . . . . ?
C14A C13A C17A C18A 0.7(3) . . . . ?
C12A C13A C17A C18A -179.50(12) . . . . ?
C14A C13A C17A C19A -119.3(3) . . . . ?
C12A C13A C17A C19A 60.50(15) . . . . ?
C16A C15A C21A C22A 155.95(19) . . . . ?
C14A C15A C21A C22A -24.4(3) . . . . ?
C16A C15A C21A C26A -24.2(3) . . . . ?
C14A C15A C21A C26A 155.4(2) . . . . ?
C26A C21A C22A C23A 0.0 . . . . ?
C15A C21A C22A C23A 179.8(2) . . . . ?
C21A C22A C23A C24A 0.0 . . . . ?
C21A C22A C23A C27A 180.0(2) . . . . ?
C22A C23A C24A C25A 0.0 . . . . ?
C27A C23A C24A C25A -180.0(2) . . . . ?
C23A C24A C25A C26A 0.0 . . . . ?
C23A C24A C25A C31A 179.8(2) . . . . ?
C24A C25A C26A C21A 0.0 . . . . ?
C31A C25A C26A C21A -179.8(2) . . . . ?
C22A C21A C26A C25A 0.0 . . . . ?
C15A C21A C26A C25A -179.8(2) . . . . ?
C24A C23A C27A C28A 78.0(2) . . . . ?
C22A C23A C27A C28A -102.0(2) . . . . ?
C24A C23A C27A C29A -162.0(2) . . . . ?
C22A C23A C27A C29A 18.03(18) . . . . ?
C24A C23A C27A C30A -42.0(2) . . . . ?
C22A C23A C27A C30A 138.03(19) . . . . ?
C26A C25A C31A C32A 49.8(3) . . . . ?
C24A C25A C31A C32A -130.0(3) . . . . ?
C26A C25A C31A C36A -130.1(2) . . . . ?
C24A C25A C31A C36A 50.1(3) . . . . ?
C36A C31A C32A C33A 0.0 . . . . ?
C25A C31A C32A C33A -179.9(3) . . . . ?
C31A C32A C33A C34A 0.0 . . . . ?
C31A C32A C33A C1D -179.7(3) . . . . ?
C32A C33A C34A C35A 0.0 . . . . ?
C1D C33A C34A C35A 179.7(3) . . . . ?
C33A C34A C35A C36A 0.0 . . . . ?
C33A C34A C35A C37A -179.9(3) . . . . ?
C34A C35A C36A C31A 0.0 . . . . ?
C37A C35A C36A C31A 179.9(3) . . . . ?
C32A C31A C36A C35A 0.0 . . . . ?
C25A C31A C36A C35A 179.9(3) . . . . ?
C36A C35A C37A C38A 40.8(3) . . . . ?
C34A C35A C37A C38A -139.3(2) . . . . ?
C36A C35A C37A C42A -138.7(2) . . . . ?
C34A C35A C37A C42A 41.2(3) . . . . ?
C42A C37A C38A C39A 0.0 . . . . ?
C35A C37A C38A C39A -179.49(17) . . . . ?
C37A C38A C39A C40A 0.0 . . . . ?
C37A C38A C39A C43A 179.99(12) . . . . ?
C38A C39A C40A C41A 0.0 . . . . ?
C43A C39A C40A C41A -179.99(12) . . . . ?
C39A C40A C41A C42A 0.0 . . . . ?
C39A C40A C41A C47A 179.9(2) . . . . ?
C40A C41A C42A C37A 0.0 . . . . ?
C47A C41A C42A C37A -179.9(2) . . . . ?
C38A C37A C42A C41A 0.0 . . . . ?
C35A C37A C42A C41A 179.49(17) . . . . ?
C38A C39A C43A C45A -55.43(12) . . . . ?
C40A C39A C43A C45A 124.56(14) . . . . ?
C38A C39A C43A C46A -175.43(11) . . . . ?
C40A C39A C43A C46A 4.56(13) . . . . ?
C38A C39A C43A C44A 64.57(13) . . . . ?
C40A C39A C43A C44A -115.44(15) . . . . ?
C42A C41A C47A C48A 163.51(15) . . . . ?
C40A C41A C47A C48A -16.4(2) . . . . ?
C42A C41A C47A C52A -16.3(2) . . . . ?
C40A C41A C47A C52A 163.76(17) . . . . ?
C52A C47A C48A C49A 0.0 . . . . ?
C41A C47A C48A C49A -179.8(2) . . . . ?
C47A C48A C49A C50A 0.0 . . . . ?
C47A C48A C49A C53A 179.9(2) . . . . ?
C48A C49A C50A C51A 0.0 . . . . ?
C53A C49A C50A C51A -179.9(2) . . . . ?
C49A C50A C51A C52A 0.0 . . . . ?
C49A C50A C51A C57A 179.6(2) . . . . ?
C50A C51A C52A C47A 0.0 . . . . ?
C57A C51A C52A C47A -179.6(2) . . . . ?
C48A C47A C52A C51A 0.0 . . . . ?
C41A C47A C52A C51A 179.8(2) . . . . ?
C48A C49A C53A C56A -93.83(18) . . . . ?
C50A C49A C53A C56A 86.1(2) . . . . ?
C48A C49A C53A C54A 26.17(17) . . . . ?
C50A C49A C53A C54A -153.94(19) . . . . ?
C48A C49A C53A C55A 146.17(17) . . . . ?
C50A C49A C53A C55A -33.94(19) . . . . ?
C52A C51A C57A C58A -129.34(19) . . . . ?
C50A C51A C57A C58A 51.0(2) . . . . ?
C52A C51A C57A C62A 50.4(2) . . . . ?
C50A C51A C57A C62A -129.19(18) . . . . ?
C62A C57A C58A C59A 0.0 . . . . ?
C51A C57A C58A C59A 179.8(2) . . . . ?
C57A C58A C59A C60A 0.0 . . . . ?
C57A C58A C59A C63A 179.3(2) . . . . ?
C58A C59A C60A C61A 0.0 . . . . ?
C63A C59A C60A C61A -179.3(2) . . . . ?
C59A C60A C61A C62A 0.0 . . . . ?
C59A C60A C61A B1C 179.4(2) . . . . ?
C60A C61A C62A C57A 0.0 . . . . ?
B1C C61A C62A C57A -179.4(2) . . . . ?
C58A C57A C62A C61A 0.0 . . . . ?
C51A C57A C62A C61A -179.8(2) . . . . ?
C60A C59A C63A C66A -96.26(12) . . . . ?
C58A C59A C63A C66A 84.4(2) . . . . ?
C60A C59A C63A C64A 23.85(12) . . . . ?
C58A C59A C63A C64A -155.5(2) . . . . ?
C60A C59A C63A C65A 143.68(10) . . . . ?
C58A C59A C63A C65A -35.6(2) . . . . ?
O2A B2A C1B C2B -149.0(2) . . . . ?
O1A B2A C1B C2B 30.5(3) . . . . ?
O2A B2A C1B C6B 30.6(3) . . . . ?
O1A B2A C1B C6B -149.9(2) . . . . ?
C6B C1B C2B C3B 0.0 . . . . ?
B2A C1B C2B C3B 179.6(2) . . . . ?
C1B C2B C3B C4B 0.0 . . . . ?
C1B C2B C3B C7B -179.7(2) . . . . ?
C2B C3B C4B C5B 0.0 . . . . ?
C7B C3B C4B C5B 179.7(2) . . . . ?
C3B C4B C5B C6B 0.0 . . . . ?
C3B C4B C5B C11B -179.5(2) . . . . ?
C4B C5B C6B C1B 0.0 . . . . ?
C11B C5B C6B C1B 179.5(2) . . . . ?
C2B C1B C6B C5B 0.0 . . . . ?
B2A C1B C6B C5B -179.6(2) . . . . ?
C4B C3B C7B C8B -177.59(8) . . . . ?
C2B C3B C7B C8B 2.1(2) . . . . ?
C4B C3B C7B C10B 62.28(12) . . . . ?
C2B C3B C7B C10B -118.0(2) . . . . ?
C4B C3B C7B C9B -57.49(13) . . . . ?
C2B C3B C7B C9B 122.2(2) . . . . ?
C6B C5B C11B C12B -136.04(17) . . . . ?
C4B C5B C11B C12B 43.5(2) . . . . ?
C6B C5B C11B C16B 43.7(2) . . . . ?
C4B C5B C11B C16B -136.8(2) . . . . ?
C16B C11B C12B C13B 0.0 . . . . ?
C5B C11B C12B C13B 179.7(2) . . . . ?
C11B C12B C13B C14B 0.0 . . . . ?
C11B C12B C13B C17B -179.79(17) . . . . ?
C12B C13B C14B C15B 0.0 . . . . ?
C17B C13B C14B C15B 179.79(17) . . . . ?
C13B C14B C15B C16B 0.0 . . . . ?
C13B C14B C15B C21B -179.6(3) . . . . ?
C14B C15B C16B C11B 0.0 . . . . ?
C21B C15B C16B C11B 179.6(3) . . . . ?
C12B C11B C16B C15B 0.0 . . . . ?
C5B C11B C16B C15B -179.7(2) . . . . ?
C14B C13B C17B C19B 62.37(19) . . . . ?
C12B C13B C17B C19B -117.8(2) . . . . ?
C14B C13B C17B C20B -57.63(19) . . . . ?
C12B C13B C17B C20B 122.2(2) . . . . ?
C14B C13B C17B C18B -177.63(18) . . . . ?
C12B C13B C17B C18B 2.16(18) . . . . ?
C16B C15B C21B C22B 160.92(17) . . . . ?
C14B C15B C21B C22B -19.5(3) . . . . ?
C16B C15B C21B C26B -19.8(3) . . . . ?
C14B C15B C21B C26B 159.7(2) . . . . ?
C26B C21B C22B C23B 0.0 . . . . ?
C15B C21B C22B C23B 179.3(2) . . . . ?
C21B C22B C23B C24B 0.0 . . . . ?
C21B C22B C23B C27B -179.89(19) . . . . ?
C22B C23B C24B C25B 0.0 . . . . ?
C27B C23B C24B C25B 179.89(19) . . . . ?
C23B C24B C25B C26B 0.0 . . . . ?
C23B C24B C25B C31B -179.4(2) . . . . ?
C24B C25B C26B C21B 0.0 . . . . ?
C31B C25B C26B C21B 179.4(2) . . . . ?
C22B C21B C26B C25B 0.0 . . . . ?
C15B C21B C26B C25B -179.3(2) . . . . ?
C22B C23B C27B C29B 92.13(18) . . . . ?
C24B C23B C27B C29B -87.8(2) . . . . ?
C22B C23B C27B C30B -27.87(16) . . . . ?
C24B C23B C27B C30B 152.25(19) . . . . ?
C22B C23B C27B C28B -147.87(16) . . . . ?
C24B C23B C27B C28B 32.25(19) . . . . ?
C24B C25B C31B C32B -127.5(3) . . . . ?
C26B C25B C31B C32B 53.1(3) . . . . ?
C24B C25B C31B C36B 52.8(3) . . . . ?
C26B C25B C31B C36B -126.6(2) . . . . ?
C36B C31B C32B C33B 0.0 . . . . ?
C25B C31B C32B C33B -179.7(2) . . . . ?
C31B C32B C33B C34B 0.0 . . . . ?
C31B C32B C33B C3D 179.4(3) . . . . ?
C32B C33B C34B C35B 0.0 . . . . ?
C3D C33B C34B C35B -179.4(3) . . . . ?
C33B C34B C35B C36B 0.0 . . . . ?
C33B C34B C35B C37B 179.7(2) . . . . ?
C34B C35B C36B C31B 0.0 . . . . ?
C37B C35B C36B C31B -179.7(2) . . . . ?
C32B C31B C36B C35B 0.0 . . . . ?
C25B C31B C36B C35B 179.7(2) . . . . ?
C36B C35B C37B C38B 50.9(3) . . . . ?
C34B C35B C37B C38B -128.8(3) . . . . ?
C36B C35B C37B C42B -129.7(3) . . . . ?
C34B C35B C37B C42B 50.7(3) . . . . ?
C42B C37B C38B C39B 0.0 . . . . ?
C35B C37B C38B C39B 179.42(18) . . . . ?
C37B C38B C39B C40B 0.0 . . . . ?
C37B C38B C39B C43B -179.9(2) . . . . ?
C38B C39B C40B C41B 0.0 . . . . ?
C43B C39B C40B C41B 179.9(2) . . . . ?
C39B C40B C41B C42B 0.0 . . . . ?
C39B C40B C41B C47B -179.8(3) . . . . ?
C40B C41B C42B C37B 0.0 . . . . ?
C47B C41B C42B C37B 179.8(3) . . . . ?
C38B C37B C42B C41B 0.0 . . . . ?
C35B C37B C42B C41B -179.42(18) . . . . ?
C38B C39B C43B C46B 110.39(18) . . . . ?
C40B C39B C43B C46B -69.5(2) . . . . ?
C38B C39B C43B C45B -129.61(18) . . . . ?
C40B C39B C43B C45B 50.5(2) . . . . ?
C38B C39B C43B C44B -9.61(17) . . . . ?
C40B C39B C43B C44B 170.50(19) . . . . ?
C42B C41B C47B C48B 160.21(18) . . . . ?
C40B C41B C47B C48B -20.0(3) . . . . ?
C42B C41B C47B C52B -19.7(3) . . . . ?
C40B C41B C47B C52B 160.1(2) . . . . ?
C52B C47B C48B C49B 0.0 . . . . ?
C41B C47B C48B C49B -179.9(2) . . . . ?
C47B C48B C49B C50B 0.0 . . . . ?
C47B C48B C49B C53B 179.88(19) . . . . ?
C48B C49B C50B C51B 0.0 . . . . ?
C53B C49B C50B C51B -179.88(19) . . . . ?
C49B C50B C51B C52B 0.0 . . . . ?
C49B C50B C51B C57B 179.6(2) . . . . ?
C50B C51B C52B C47B 0.0 . . . . ?
C57B C51B C52B C47B -179.6(2) . . . . ?
C48B C47B C52B C51B 0.0 . . . . ?
C41B C47B C52B C51B 179.9(2) . . . . ?
C50B C49B C53B C56B 126.01(19) . . . . ?
C48B C49B C53B C56B -53.87(18) . . . . ?
C50B C49B C53B C55B -113.99(19) . . . . ?
C48B C49B C53B C55B 66.13(19) . . . . ?
C50B C49B C53B C54B 6.01(18) . . . . ?
C48B C49B C53B C54B -173.87(17) . . . . ?
C50B C51B C57B C58B 44.5(2) . . . . ?
C52B C51B C57B C58B -135.85(18) . . . . ?
C50B C51B C57B C62B -135.7(2) . . . . ?
C52B C51B C57B C62B 44.0(2) . . . . ?
C62B C57B C58B C59B 0.0 . . . . ?
C51B C57B C58B C59B 179.81(19) . . . . ?
C57B C58B C59B C60B 0.0 . . . . ?
C57B C58B C59B C63B -176.93(7) . . . . ?
C58B C59B C60B C61B 0.0 . . . . ?
C63B C59B C60B C61B 176.92(7) . . . . ?
C59B C60B C61B C62B 0.0 . . . . ?
C59B C60B C61B B2C -179.9(2) . . . . ?
C60B C61B C62B C57B 0.0 . . . . ?
B2C C61B C62B C57B 179.9(2) . . . . ?
C58B C57B C62B C61B 0.0 . . . . ?
C51B C57B C62B C61B -179.81(19) . . . . ?
C58B C59B C63B C65B -153.85(14) . . . . ?
C60B C59B C63B C65B 29.23(17) . . . . ?
C58B C59B C63B C64B -33.85(15) . . . . ?
C60B C59B C63B C64B 149.23(17) . . . . ?
C58B C59B C63B C66B 86.15(16) . . . . ?
C60B C59B C63B C66B -90.77(18) . . . . ?
O2A B3A C1C C2C 25.9(3) . . . . ?
O3A B3A C1C C2C -153.6(2) . . . . ?
O2A B3A C1C C6C -154.12(18) . . . . ?
O3A B3A C1C C6C 26.4(3) . . . . ?
C6C C1C C2C C3C 0.0 . . . . ?
B3A C1C C2C C3C 179.98(19) . . . . ?
C1C C2C C3C C4C 0.0 . . . . ?
C1C C2C C3C C7C 179.4(2) . . . . ?
C2C C3C C4C C5C 0.0 . . . . ?
C7C C3C C4C C5C -179.4(2) . . . . ?
C3C C4C C5C C6C 0.0 . . . . ?
C3C C4C C5C C11C -178.99(17) . . . . ?
C4C C5C C6C C1C 0.0 . . . . ?
C11C C5C C6C C1C 178.99(17) . . . . ?
C2C C1C C6C C5C 0.0 . . . . ?
B3A C1C C6C C5C -179.98(19) . . . . ?
C2C C3C C7C C9C 97.28(16) . . . . ?
C4C C3C C7C C9C -83.35(9) . . . . ?
C2C C3C C7C C10C -142.72(16) . . . . ?
C4C C3C C7C C10C 36.65(8) . . . . ?
C2C C3C C7C C8C -22.72(15) . . . . ?
C4C C3C C7C C8C 156.65(6) . . . . ?
C4C C5C C11C C12C 47.4(2) . . . . ?
C6C C5C C11C C12C -131.60(18) . . . . ?
C4C C5C C11C C16C -132.61(16) . . . . ?
C6C C5C C11C C16C 48.4(2) . . . . ?
C16C C11C C12C C13C 0.0 . . . . ?
C5C C11C C12C C13C 180.0(2) . . . . ?
C11C C12C C13C C14C 0.0 . . . . ?
C11C C12C C13C C17C 180.0(3) . . . . ?
C12C C13C C14C C15C 0.0 . . . . ?
C17C C13C C14C C15C 180.0(3) . . . . ?
C13C C14C C15C C16C 0.0 . . . . ?
C13C C14C C15C C21C 179.8(2) . . . . ?
C14C C15C C16C C11C 0.0 . . . . ?
C21C C15C C16C C11C -179.8(2) . . . . ?
C12C C11C C16C C15C 0.0 . . . . ?
C5C C11C C16C C15C 180.0(2) . . . . ?
C14C C13C C17C C18C 176.19(11) . . . . ?
C12C C13C C17C C18C -3.8(3) . . . . ?
C14C C13C C17C C20C -63.78(14) . . . . ?
C12C C13C C17C C20C 116.2(3) . . . . ?
C14C C13C C17C C19C 56.17(15) . . . . ?
C12C C13C C17C C19C -123.8(3) . . . . ?
C14C C15C C21C C22C -19.2(2) . . . . ?
C16C C15C C21C C22C 160.64(18) . . . . ?
C14C C15C C21C C26C 160.61(19) . . . . ?
C16C C15C C21C C26C -19.6(3) . . . . ?
C26C C21C C22C C23C 0.0 . . . . ?
C15C C21C C22C C23C 179.8(2) . . . . ?
C21C C22C C23C C24C 0.0 . . . . ?
C21C C22C C23C C27C 179.92(17) . . . . ?
C22C C23C C24C C25C 0.0 . . . . ?
C27C C23C C24C C25C -179.92(17) . . . . ?
C23C C24C C25C C26C 0.0 . . . . ?
C23C C24C C25C C31C -179.9(2) . . . . ?
C24C C25C C26C C21C 0.0 . . . . ?
C31C C25C C26C C21C 179.9(2) . . . . ?
C22C C21C C26C C25C 0.0 . . . . ?
C15C C21C C26C C25C -179.8(2) . . . . ?
C22C C23C C27C C28C 70.69(17) . . . . ?
C24C C23C C27C C28C -109.39(19) . . . . ?
C22C C23C C27C C30C -169.31(15) . . . . ?
C24C C23C C27C C30C 10.61(17) . . . . ?
C22C C23C C27C C29C -49.31(16) . . . . ?
C24C C23C C27C C29C 130.61(18) . . . . ?
C24C C25C C31C C32C -133.8(3) . . . . ?
C26C C25C C31C C32C 46.3(3) . . . . ?
C24C C25C C31C C36C 45.7(3) . . . . ?
C26C C25C C31C C36C -134.2(2) . . . . ?
C36C C31C C32C C33C 0.0 . . . . ?
C25C C31C C32C C33C 179.5(3) . . . . ?
C31C C32C C33C C34C 0.0 . . . . ?
C31C C32C C33C C5D -179.7(3) . . . . ?
C32C C33C C34C C35C 0.0 . . . . ?
C5D C33C C34C C35C 179.7(3) . . . . ?
C33C C34C C35C C36C 0.0 . . . . ?
C33C C34C C35C C37C -179.2(3) . . . . ?
C34C C35C C36C C31C 0.0 . . . . ?
C37C C35C C36C C31C 179.2(3) . . . . ?
C32C C31C C36C C35C 0.0 . . . . ?
C25C C31C C36C C35C -179.5(3) . . . . ?
C36C C35C C37C C38C 50.3(3) . . . . ?
C34C C35C C37C C38C -130.4(3) . . . . ?
C36C C35C C37C C42C -129.7(2) . . . . ?
C34C C35C C37C C42C 49.5(3) . . . . ?
C42C C37C C38C C39C 0.0 . . . . ?
C35C C37C C38C C39C 179.93(19) . . . . ?
C37C C38C C39C C40C 0.0 . . . . ?
C37C C38C C39C C43C -179.9(2) . . . . ?
C38C C39C C40C C41C 0.0 . . . . ?
C43C C39C C40C C41C 179.9(2) . . . . ?
C39C C40C C41C C42C 0.0 . . . . ?
C39C C40C C41C C47C -179.7(3) . . . . ?
C40C C41C C42C C37C 0.0 . . . . ?
C47C C41C C42C C37C 179.7(3) . . . . ?
C38C C37C C42C C41C 0.0 . . . . ?
C35C C37C C42C C41C -179.93(19) . . . . ?
C40C C39C C43C C45C -1.23(17) . . . . ?
C38C C39C C43C C45C 178.68(18) . . . . ?
C40C C39C C43C C46C 118.77(18) . . . . ?
C38C C39C C43C C46C -61.32(19) . . . . ?
C40C C39C C43C C44C -121.23(18) . . . . ?
C38C C39C C43C C44C 58.7(2) . . . . ?
C42C C41C C47C C48C 161.02(17) . . . . ?
C40C C41C C47C C48C -19.3(3) . . . . ?
C42C C41C C47C C52C -18.9(3) . . . . ?
C40C C41C C47C C52C 160.82(16) . . . . ?
C52C C47C C48C C49C 0.0 . . . . ?
C41C C47C C48C C49C -179.9(2) . . . . ?
C47C C48C C49C C50C 0.0 . . . . ?
C47C C48C C49C C53C -179.96(18) . . . . ?
C48C C49C C50C C51C 0.0 . . . . ?
C53C C49C C50C C51C 179.96(18) . . . . ?
C49C C50C C51C C52C 0.0 . . . . ?
C49C C50C C51C C57C -179.86(19) . . . . ?
C50C C51C C52C C47C 0.0 . . . . ?
C57C C51C C52C C47C 179.86(19) . . . . ?
C48C C47C C52C C51C 0.0 . . . . ?
C41C C47C C52C C51C 179.9(2) . . . . ?
C50C C49C C53C C55C -56.74(14) . . . . ?
C48C C49C C53C C55C 123.22(17) . . . . ?
C50C C49C C53C C56C 63.26(15) . . . . ?
C48C C49C C53C C56C -116.78(18) . . . . ?
C50C C49C C53C C54C -176.74(13) . . . . ?
C48C C49C C53C C54C 3.22(17) . . . . ?
C52C C51C C57C C58C -131.64(17) . . . . ?
C50C C51C C57C C58C 48.2(2) . . . . ?
C52C C51C C57C C62C 47.7(2) . . . . ?
C50C C51C C57C C62C -132.48(17) . . . . ?
C62C C57C C58C C59C 0.0 . . . . ?
C51C C57C C58C C59C 179.30(17) . . . . ?
C57C C58C C59C C60C 0.0 . . . . ?
C57C C58C C59C C63C -179.9(2) . . . . ?
C58C C59C C60C C61C 0.0 . . . . ?
C63C C59C C60C C61C 179.9(2) . . . . ?
C59C C60C C61C C62C 0.0 . . . . ?
C59C C60C C61C B3C -179.2(2) . . . . ?
C60C C61C C62C C57C 0.0 . . . . ?
B3C C61C C62C C57C 179.2(2) . . . . ?
C58C C57C C62C C61C 0.0 . . . . ?
C51C C57C C62C C61C -179.30(17) . . . . ?
C60C C59C C63C C66C 148.56(14) . . . . ?
C58C C59C C63C C66C -31.57(18) . . . . ?
C60C C59C C63C C65C -91.44(16) . . . . ?
C58C C59C C63C C65C 88.43(19) . . . . ?
C60C C59C C63C C64C 28.56(14) . . . . ?
C58C C59C C63C C64C -151.57(17) . . . . ?
C62A C61A B1C O1C -158.1(2) . . . . ?
C60A C61A B1C O1C 22.5(3) . . . . ?
C62A C61A B1C O3C 21.6(3) . . . . ?
C60A C61A B1C O3C -157.7(2) . . . . ?
O3C B1C O1C B2C 0.0 . . . . ?
C61A B1C O1C B2C 179.8(3) . . . . ?
B1C O1C B2C O2C 0.0 . . . . ?
B1C O1C B2C C61B -179.5(3) . . . . ?
C60B C61B B2C O2C 26.9(3) . . . . ?
C62B C61B B2C O2C -153.0(2) . . . . ?
C60B C61B B2C O1C -153.6(2) . . . . ?
C62B C61B B2C O1C 26.6(3) . . . . ?
O1C B2C O2C B3C 0.0 . . . . ?
C61B B2C O2C B3C 179.5(3) . . . . ?
B2C O2C B3C O3C 0.0 . . . . ?
B2C O2C B3C C61C -179.5(3) . . . . ?
C60C C61C B3C O3C 28.1(3) . . . . ?
C62C C61C B3C O3C -151.1(2) . . . . ?
C60C C61C B3C O2C -152.4(2) . . . . ?
C62C C61C B3C O2C 28.4(3) . . . . ?
O2C B3C O3C B1C 0.0 . . . . ?
C61C B3C O3C B1C 179.5(3) . . . . ?
O1C B1C O3C B3C 0.0 . . . . ?
C61A B1C O3C B3C -179.8(3) . . . . ?
C34A C33A C1D C2D 28.7(3) . . . . ?
C32A C33A C1D C2D -151.6(3) . . . . ?
C34A C33A C1D C6D -151.7(3) . . . . ?
C32A C33A C1D C6D 27.9(3) . . . . ?
C6D C1D C2D C3D 0.0 . . . . ?
C33A C1D C2D C3D 179.5(3) . . . . ?
C1D C2D C3D C4D 0.0 . . . . ?
C1D C2D C3D C33B -179.8(3) . . . . ?
C34B C33B C3D C2D -157.7(3) . . . . ?
C32B C33B C3D C2D 22.9(3) . . . . ?
C34B C33B C3D C4D 22.5(3) . . . . ?
C32B C33B C3D C4D -156.9(3) . . . . ?
C2D C3D C4D C5D 0.0 . . . . ?
C33B C3D C4D C5D 179.8(3) . . . . ?
C3D C4D C5D C6D 0.0 . . . . ?
C3D C4D C5D C33C 179.9(3) . . . . ?
C32C C33C C5D C4D 26.0(3) . . . . ?
C34C C33C C5D C4D -153.7(3) . . . . ?
C32C C33C C5D C6D -154.1(3) . . . . ?
C34C C33C C5D C6D 26.2(3) . . . . ?
C4D C5D C6D C1D 0.0 . . . . ?
C33C C5D C6D C1D -179.9(3) . . . . ?
C2D C1D C6D C5D 0.0 . . . . ?
C33A C1D C6D C5D -179.5(3) . . . . ?
O3E B1E O1E B2E 0.0 . . . . ?
C1E B1E O1E B2E -178.9(3) . . . . ?
B1E O1E B2E O2E 0.0 . . . . ?
B1E O1E B2E C1F 178.7(3) . . . . ?
O1E B2E O2E B3E 0.0 . . . . ?
C1F B2E O2E B3E -178.7(3) . . . . ?
B2E O2E B3E O3E 0.0 . . . . ?
B2E O2E B3E C1G 178.9(3) . . . . ?
O2E B3E O3E B1E 0.0 . . . . ?
C1G B3E O3E B1E -178.9(3) . . . . ?
O1E B1E O3E B3E 0.0 . . . . ?
C1E B1E O3E B3E 178.9(3) . . . . ?
O1E B1E C1E C2E -157.15(19) . . . . ?
O3E B1E C1E C2E 24.0(3) . . . . ?
O1E B1E C1E C6E 24.1(3) . . . . ?
O3E B1E C1E C6E -154.7(2) . . . . ?
C6E C1E C2E C3E 0.0 . . . . ?
B1E C1E C2E C3E -178.74(18) . . . . ?
C1E C2E C3E C4E 0.0 . . . . ?
C1E C2E C3E C7E 179.71(19) . . . . ?
C2E C3E C4E C5E 0.0 . . . . ?
C7E C3E C4E C5E -179.71(18) . . . . ?
C3E C4E C5E C6E 0.0 . . . . ?
C3E C4E C5E C11E 179.1(2) . . . . ?
C4E C5E C6E C1E 0.0 . . . . ?
C11E C5E C6E C1E -179.1(2) . . . . ?
C2E C1E C6E C5E 0.0 . . . . ?
B1E C1E C6E C5E 178.74(18) . . . . ?
C2E C3E C7E C10E 23.95(10) . . . . ?
C4E C3E C7E C10E -156.34(17) . . . . ?
C2E C3E C7E C9E -96.05(12) . . . . ?
C4E C3E C7E C9E 83.66(19) . . . . ?
C2E C3E C7E C8E 143.95(10) . . . . ?
C4E C3E C7E C8E -36.34(18) . . . . ?
C6E C5E C11E C12E -131.52(16) . . . . ?
C4E C5E C11E C12E 49.4(2) . . . . ?
C6E C5E C11E C16E 48.7(2) . . . . ?
C4E C5E C11E C16E -130.35(19) . . . . ?
C16E C11E C12E C13E 0.0 . . . . ?
C5E C11E C12E C13E -179.74(18) . . . . ?
C11E C12E C13E C14E 0.0 . . . . ?
C11E C12E C13E C17E 180.0(2) . . . . ?
C12E C13E C14E C15E 0.0 . . . . ?
C17E C13E C14E C15E -180.0(2) . . . . ?
C13E C14E C15E C16E 0.0 . . . . ?
C13E C14E C15E C21E -179.9(3) . . . . ?
C14E C15E C16E C11E 0.0 . . . . ?
C21E C15E C16E C11E 179.9(3) . . . . ?
C12E C11E C16E C15E 0.0 . . . . ?
C5E C11E C16E C15E 179.74(18) . . . . ?
C14E C13E C17E C20E 49.41(18) . . . . ?
C12E C13E C17E C20E -130.5(2) . . . . ?
C14E C13E C17E C18E 169.41(17) . . . . ?
C12E C13E C17E C18E -10.5(2) . . . . ?
C14E C13E C17E C19E -70.59(19) . . . . ?
C12E C13E C17E C19E 109.5(2) . . . . ?
C14E C15E C21E C22E -16.3(3) . . . . ?
C16E C15E C21E C22E 163.77(17) . . . . ?
C14E C15E C21E C26E 163.88(19) . . . . ?
C16E C15E C21E C26E -16.1(3) . . . . ?
C26E C21E C22E C23E 0.0 . . . . ?
C15E C21E C22E C23E -179.8(2) . . . . ?
C21E C22E C23E C24E 0.0 . . . . ?
C21E C22E C23E C27E 180.0(2) . . . . ?
C22E C23E C24E C25E 0.0 . . . . ?
C27E C23E C24E C25E 180.0(2) . . . . ?
C23E C24E C25E C26E 0.0 . . . . ?
C23E C24E C25E C31E -179.9(2) . . . . ?
C24E C25E C26E C21E 0.0 . . . . ?
C31E C25E C26E C21E 179.9(2) . . . . ?
C22E C21E C26E C25E 0.0 . . . . ?
C15E C21E C26E C25E 179.8(2) . . . . ?
C22E C23E C27E C30E 125.44(18) . . . . ?
C24E C23E C27E C30E -54.6(2) . . . . ?
C22E C23E C27E C28E -114.56(18) . . . . ?
C24E C23E C27E C28E 65.4(2) . . . . ?
C22E C23E C27E C29E 5.44(17) . . . . ?
C24E C23E C27E C29E -174.56(19) . . . . ?
C26E C25E C31E C32E 46.5(3) . . . . ?
C24E C25E C31E C32E -133.6(2) . . . . ?
C26E C25E C31E C36E -133.3(2) . . . . ?
C24E C25E C31E C36E 46.6(3) . . . . ?
C36E C31E C32E C33E 0.0 . . . . ?
C25E C31E C32E C33E -179.8(3) . . . . ?
C31E C32E C33E C34E 0.0 . . . . ?
C31E C32E C33E C1H -179.6(3) . . . . ?
C32E C33E C34E C35E 0.0 . . . . ?
C1H C33E C34E C35E 179.6(3) . . . . ?
C33E C34E C35E C36E 0.0 . . . . ?
C33E C34E C35E C37E -180.0(2) . . . . ?
C34E C35E C36E C31E 0.0 . . . . ?
C37E C35E C36E C31E 180.0(2) . . . . ?
C32E C31E C36E C35E 0.0 . . . . ?
C25E C31E C36E C35E 179.8(3) . . . . ?
C36E C35E C37E C38E 51.4(3) . . . . ?
C34E C35E C37E C38E -128.6(2) . . . . ?
C36E C35E C37E C42E -128.2(2) . . . . ?
C34E C35E C37E C42E 51.8(3) . . . . ?
C42E C37E C38E C39E 0.0 . . . . ?
C35E C37E C38E C39E -179.60(19) . . . . ?
C37E C38E C39E C40E 0.0 . . . . ?
C37E C38E C39E C43E -179.86(16) . . . . ?
C38E C39E C40E C41E 0.0 . . . . ?
C43E C39E C40E C41E 179.86(16) . . . . ?
C39E C40E C41E C42E 0.0 . . . . ?
C39E C40E C41E C47E -179.2(2) . . . . ?
C40E C41E C42E C37E 0.0 . . . . ?
C47E C41E C42E C37E 179.2(2) . . . . ?
C38E C37E C42E C41E 0.0 . . . . ?
C35E C37E C42E C41E 179.60(19) . . . . ?
C38E C39E C43E C44E -7.39(15) . . . . ?
C40E C39E C43E C44E 172.75(11) . . . . ?
C38E C39E C43E C46E 112.61(16) . . . . ?
C40E C39E C43E C46E -67.25(12) . . . . ?
C38E C39E C43E C45E -127.39(16) . . . . ?
C40E C39E C43E C45E 52.75(13) . . . . ?
C40E C41E C47E C48E -27.6(2) . . . . ?
C42E C41E C47E C48E 153.27(14) . . . . ?
C40E C41E C47E C52E 150.99(11) . . . . ?
C42E C41E C47E C52E -28.2(2) . . . . ?
C52E C47E C48E C49E 0.0 . . . . ?
C41E C47E C48E C49E 178.55(16) . . . . ?
C47E C48E C49E C50E 0.0 . . . . ?
C47E C48E C49E C53E 179.83(17) . . . . ?
C48E C49E C50E C51E 0.0 . . . . ?
C53E C49E C50E C51E -179.83(17) . . . . ?
C49E C50E C51E C52E 0.0 . . . . ?
C49E C50E C51E C57E 178.70(7) . . . . ?
C50E C51E C52E C47E 0.0 . . . . ?
C57E C51E C52E C47E -178.70(7) . . . . ?
C48E C47E C52E C51E 0.0 . . . . ?
C41E C47E C52E C51E -178.55(16) . . . . ?
C48E C49E C53E C55E 120.37(14) . . . . ?
C50E C49E C53E C55E -59.80(16) . . . . ?
C48E C49E C53E C56E -119.62(15) . . . . ?
C50E C49E C53E C56E 60.20(16) . . . . ?
C48E C49E C53E C54E 0.38(13) . . . . ?
C50E C49E C53E C54E -179.80(14) . . . . ?
C50E C51E C57E C58E 53.04(15) . . . . ?
C52E C51E C57E C58E -128.26(10) . . . . ?
C50E C51E C57E C62E -127.46(13) . . . . ?
C52E C51E C57E C62E 51.25(12) . . . . ?
C62E C57E C58E C59E 0.0 . . . . ?
C51E C57E C58E C59E 179.51(11) . . . . ?
C57E C58E C59E C60E 0.0 . . . . ?
C57E C58E C59E C63E 177.19(9) . . . . ?
C58E C59E C60E C61E 0.0 . . . . ?
C63E C59E C60E C61E -177.23(9) . . . . ?
C59E C60E C61E C62E 0.0 . . . . ?
C59E C60E C61E B1G 177.0(2) . . . . ?
C60E C61E C62E C57E 0.0 . . . . ?
B1G C61E C62E C57E -177.0(2) . . . . ?
C58E C57E C62E C61E 0.0 . . . . ?
C51E C57E C62E C61E -179.50(12) . . . . ?
C58E C59E C63E C64E 42.13(8) . . . . ?
C60E C59E C63E C64E -140.66(14) . . . . ?
C58E C59E C63E C66E -77.88(10) . . . . ?
C60E C59E C63E C66E 99.34(15) . . . . ?
C58E C59E C63E C65E 162.13(7) . . . . ?
C60E C59E C63E C65E -20.66(14) . . . . ?
O2E B2E C1F C2F -155.28(19) . . . . ?
O1E B2E C1F C2F 26.0(3) . . . . ?
O2E B2E C1F C6F 25.3(3) . . . . ?
O1E B2E C1F C6F -153.4(2) . . . . ?
C6F C1F C2F C3F 0.0 . . . . ?
B2E C1F C2F C3F -179.4(2) . . . . ?
C1F C2F C3F C4F 0.0 . . . . ?
C1F C2F C3F C7F 179.65(18) . . . . ?
C2F C3F C4F C5F 0.0 . . . . ?
C7F C3F C4F C5F -179.65(18) . . . . ?
C3F C4F C5F C6F 0.0 . . . . ?
C3F C4F C5F C11F 179.4(2) . . . . ?
C4F C5F C6F C1F 0.0 . . . . ?
C11F C5F C6F C1F -179.4(2) . . . . ?
C2F C1F C6F C5F 0.0 . . . . ?
B2E C1F C6F C5F 179.4(2) . . . . ?
C4F C3F C7F C10F -22.37(17) . . . . ?
C2F C3F C7F C10F 157.98(16) . . . . ?
C4F C3F C7F C9F -142.37(17) . . . . ?
C2F C3F C7F C9F 37.98(16) . . . . ?
C4F C3F C7F C8F 97.63(19) . . . . ?
C2F C3F C7F C8F -82.02(18) . . . . ?
C4F C5F C11F C12F 46.1(2) . . . . ?
C6F C5F C11F C12F -134.53(16) . . . . ?
C4F C5F C11F C16F -134.66(15) . . . . ?
C6F C5F C11F C16F 44.7(2) . . . . ?
C16F C11F C12F C13F 0.0 . . . . ?
C5F C11F C12F C13F 179.25(17) . . . . ?
C11F C12F C13F C14F 0.0 . . . . ?
C11F C12F C13F C17F -179.80(13) . . . . ?
C12F C13F C14F C15F 0.0 . . . . ?
C17F C13F C14F C15F 179.80(13) . . . . ?
C13F C14F C15F C16F 0.0 . . . . ?
C13F C14F C15F C21F -179.8(2) . . . . ?
C14F C15F C16F C11F 0.0 . . . . ?
C21F C15F C16F C11F 179.8(2) . . . . ?
C12F C11F C16F C15F 0.0 . . . . ?
C5F C11F C16F C15F -179.25(17) . . . . ?
C14F C13F C17F C20F -150.25(5) . . . . ?
C12F C13F C17F C20F 29.55(10) . . . . ?
C14F C13F C17F C19F -30.25(5) . . . . ?
C12F C13F C17F C19F 149.55(10) . . . . ?
C14F C13F C17F C18F 89.75(9) . . . . ?
C12F C13F C17F C18F -90.45(13) . . . . ?
C14F C15F C21F C22F -16.3(2) . . . . ?
C16F C15F C21F C22F 163.84(15) . . . . ?
C14F C15F C21F C26F 163.89(19) . . . . ?
C16F C15F C21F C26F -16.0(2) . . . . ?
C26F C21F C22F C23F 0.0 . . . . ?
C15F C21F C22F C23F -179.8(2) . . . . ?
C21F C22F C23F C24F 0.0 . . . . ?
C21F C22F C23F C27F 179.9(2) . . . . ?
C22F C23F C24F C25F 0.0 . . . . ?
C27F C23F C24F C25F -179.9(2) . . . . ?
C23F C24F C25F C26F 0.0 . . . . ?
C23F C24F C25F C31F 179.5(2) . . . . ?
C24F C25F C26F C21F 0.0 . . . . ?
C31F C25F C26F C21F -179.5(2) . . . . ?
C22F C21F C26F C25F 0.0 . . . . ?
C15F C21F C26F C25F 179.8(2) . . . . ?
C24F C23F C27F C28F -96.1(2) . . . . ?
C22F C23F C27F C28F 84.0(2) . . . . ?
C24F C23F C27F C30F 23.9(2) . . . . ?
C22F C23F C27F C30F -156.00(18) . . . . ?
C24F C23F C27F C29F 143.9(2) . . . . ?
C22F C23F C27F C29F -36.00(18) . . . . ?
C26F C25F C31F C32F 48.2(3) . . . . ?
C24F C25F C31F C32F -131.30(19) . . . . ?
C26F C25F C31F C36F -133.3(2) . . . . ?
C24F C25F C31F C36F 47.2(3) . . . . ?
C36F C31F C32F C33F 0.0 . . . . ?
C25F C31F C32F C33F 178.5(2) . . . . ?
C31F C32F C33F C34F 0.0 . . . . ?
C31F C32F C33F C3H 178.3(3) . . . . ?
C32F C33F C34F C35F 0.0 . . . . ?
C3H C33F C34F C35F -178.3(3) . . . . ?
C33F C34F C35F C36F 0.0 . . . . ?
C33F C34F C35F C37F -179.4(2) . . . . ?
C34F C35F C36F C31F 0.0 . . . . ?
C37F C35F C36F C31F 179.4(2) . . . . ?
C32F C31F C36F C35F 0.0 . . . . ?
C25F C31F C36F C35F -178.5(2) . . . . ?
C34F C35F C37F C38F -125.23(18) . . . . ?
C36F C35F C37F C38F 55.4(2) . . . . ?
C34F C35F C37F C42F 55.3(2) . . . . ?
C36F C35F C37F C42F -124.1(2) . . . . ?
C42F C37F C38F C39F 0.0 . . . . ?
C35F C37F C38F C39F -179.52(16) . . . . ?
C37F C38F C39F C40F 0.0 . . . . ?
C37F C38F C39F C43F 179.81(18) . . . . ?
C38F C39F C40F C41F 0.0 . . . . ?
C43F C39F C40F C41F -179.81(18) . . . . ?
C39F C40F C41F C42F 0.0 . . . . ?
C39F C40F C41F C47F 179.0(2) . . . . ?
C40F C41F C42F C37F 0.0 . . . . ?
C47F C41F C42F C37F -179.0(2) . . . . ?
C38F C37F C42F C41F 0.0 . . . . ?
C35F C37F C42F C41F 179.52(16) . . . . ?
C40F C39F C43F C46F -23.30(10) . . . . ?
C38F C39F C43F C46F 156.90(18) . . . . ?
C40F C39F C43F C44F -143.30(11) . . . . ?
C38F C39F C43F C44F 36.90(18) . . . . ?
C40F C39F C43F C45F 96.70(12) . . . . ?
C38F C39F C43F C45F -83.1(2) . . . . ?
C42F C41F C47F C48F 153.11(16) . . . . ?
C40F C41F C47F C48F -25.9(2) . . . . ?
C42F C41F C47F C52F -26.8(2) . . . . ?
C40F C41F C47F C52F 154.23(15) . . . . ?
C52F C47F C48F C49F 0.0 . . . . ?
C41F C47F C48F C49F -179.9(2) . . . . ?
C47F C48F C49F C50F 0.0 . . . . ?
C47F C48F C49F C53F 179.73(19) . . . . ?
C48F C49F C50F C51F 0.0 . . . . ?
C53F C49F C50F C51F -179.73(19) . . . . ?
C49F C50F C51F C52F 0.0 . . . . ?
C49F C50F C51F C57F 179.3(2) . . . . ?
C50F C51F C52F C47F 0.0 . . . . ?
C57F C51F C52F C47F -179.3(2) . . . . ?
C48F C47F C52F C51F 0.0 . . . . ?
C41F C47F C52F C51F 179.9(2) . . . . ?
C48F C49F C53F C54F -5.60(18) . . . . ?
C50F C49F C53F C54F 174.14(11) . . . . ?
C48F C49F C53F C55F 114.43(19) . . . . ?
C50F C49F C53F C55F -65.84(14) . . . . ?
C48F C49F C53F C56F -125.59(18) . . . . ?
C50F C49F C53F C56F 54.14(15) . . . . ?
C52F C51F C57F C58F -130.10(16) . . . . ?
C50F C51F C57F C58F 50.6(2) . . . . ?
C52F C51F C57F C62F 49.4(2) . . . . ?
C50F C51F C57F C62F -129.86(19) . . . . ?
C62F C57F C58F C59F 0.0 . . . . ?
C51F C57F C58F C59F 179.50(17) . . . . ?
C57F C58F C59F C60F 0.0 . . . . ?
C57F C58F C59F C63F -179.81(17) . . . . ?
C58F C59F C60F C61F 0.0 . . . . ?
C63F C59F C60F C61F 179.81(17) . . . . ?
C59F C60F C61F C62F 0.0 . . . . ?
C59F C60F C61F B2G -178.3(2) . . . . ?
C60F C61F C62F C57F 0.0 . . . . ?
B2G C61F C62F C57F 178.3(2) . . . . ?
C58F C57F C62F C61F 0.0 . . . . ?
C51F C57F C62F C61F -179.50(17) . . . . ?
C60F C59F C63F C65F 93.52(17) . . . . ?
C58F C59F C63F C65F -86.67(18) . . . . ?
C60F C59F C63F C64F -146.48(16) . . . . ?
C58F C59F C63F C64F 33.33(17) . . . . ?
C60F C59F C63F C66F -26.48(17) . . . . ?
C58F C59F C63F C66F 153.33(17) . . . . ?
O3E B3E C1G C2G -157.84(19) . . . . ?
O2E B3E C1G C2G 23.3(3) . . . . ?
O3E B3E C1G C6G 22.1(3) . . . . ?
O2E B3E C1G C6G -156.82(17) . . . . ?
C6G C1G C2G C3G 0.0 . . . . ?
B3E C1G C2G C3G 179.90(19) . . . . ?
C1G C2G C3G C4G 0.0 . . . . ?
C1G C2G C3G C7G 179.97(15) . . . . ?
C2G C3G C4G C5G 0.0 . . . . ?
C7G C3G C4G C5G -179.97(15) . . . . ?
C3G C4G C5G C6G 0.0 . . . . ?
C3G C4G C5G C11G 179.37(16) . . . . ?
C4G C5G C6G C1G 0.0 . . . . ?
C11G C5G C6G C1G -179.38(16) . . . . ?
C2G C1G C6G C5G 0.0 . . . . ?
B3E C1G C6G C5G -179.90(19) . . . . ?
C2G C3G C7G C10G 151.53(12) . . . . ?
C4G C3G C7G C10G -28.50(6) . . . . ?
C2G C3G C7G C8G -88.47(13) . . . . ?
C4G C3G C7G C8G 91.50(8) . . . . ?
C2G C3G C7G C9G 31.53(12) . . . . ?
C4G C3G C7G C9G -148.50(7) . . . . ?
C6G C5G C11G C12G -135.11(14) . . . . ?
C4G C5G C11G C12G 45.5(2) . . . . ?
C6G C5G C11G C16G 43.71(17) . . . . ?
C4G C5G C11G C16G -135.67(16) . . . . ?
C16G C11G C12G C13G 0.0 . . . . ?
C5G C11G C12G C13G 178.82(16) . . . . ?
C11G C12G C13G C14G 0.0 . . . . ?
C11G C12G C13G C17G 179.9(2) . . . . ?
C12G C13G C14G C15G 0.0 . . . . ?
C17G C13G C14G C15G -179.9(2) . . . . ?
C13G C14G C15G C16G 0.0 . . . . ?
C13G C14G C15G C21G 179.8(3) . . . . ?
C14G C15G C16G C11G 0.0 . . . . ?
C21G C15G C16G C11G -179.8(3) . . . . ?
C12G C11G C16G C15G 0.0 . . . . ?
C5G C11G C16G C15G -178.82(16) . . . . ?
C14G C13G C17G C18G 156.88(17) . . . . ?
C12G C13G C17G C18G -23.04(17) . . . . ?
C14G C13G C17G C19G 36.88(17) . . . . ?
C12G C13G C17G C19G -143.04(17) . . . . ?
C14G C13G C17G C20G -83.12(19) . . . . ?
C12G C13G C17G C20G 96.96(19) . . . . ?
C16G C15G C21G C22G 167.35(16) . . . . ?
C14G C15G C21G C22G -12.5(2) . . . . ?
C16G C15G C21G C26G -12.2(2) . . . . ?
C14G C15G C21G C26G 167.99(18) . . . . ?
C26G C21G C22G C23G 0.0 . . . . ?
C15G C21G C22G C23G -179.5(2) . . . . ?
C21G C22G C23G C24G 0.0 . . . . ?
C21G C22G C23G C27G -179.48(19) . . . . ?
C22G C23G C24G C25G 0.0 . . . . ?
C27G C23G C24G C25G 179.48(19) . . . . ?
C23G C24G C25G C26G 0.0 . . . . ?
C23G C24G C25G C31G 178.4(2) . . . . ?
C24G C25G C26G C21G 0.0 . . . . ?
C31G C25G C26G C21G -178.4(2) . . . . ?
C22G C21G C26G C25G 0.0 . . . . ?
C15G C21G C26G C25G 179.5(2) . . . . ?
C22G C23G C27G C29G 125.58(17) . . . . ?
C24G C23G C27G C29G -53.89(18) . . . . ?
C22G C23G C27G C28G 5.58(16) . . . . ?
C24G C23G C27G C28G -173.89(17) . . . . ?
C22G C23G C27G C30G -114.42(18) . . . . ?
C24G C23G C27G C30G 66.11(19) . . . . ?
C24G C25G C31G C32G -141.6(2) . . . . ?
C26G C25G C31G C32G 36.8(3) . . . . ?
C24G C25G C31G C36G 38.1(3) . . . . ?
C26G C25G C31G C36G -143.5(2) . . . . ?
C36G C31G C32G C33G 0.0 . . . . ?
C25G C31G C32G C33G 179.7(3) . . . . ?
C31G C32G C33G C34G 0.0 . . . . ?
C31G C32G C33G C5H -179.6(3) . . . . ?
C32G C33G C34G C35G 0.0 . . . . ?
C5H C33G C34G C35G 179.6(3) . . . . ?
C33G C34G C35G C36G 0.0 . . . . ?
C33G C34G C35G C37G 180.0(2) . . . . ?
C34G C35G C36G C31G 0.0 . . . . ?
C37G C35G C36G C31G -180.0(2) . . . . ?
C32G C31G C36G C35G 0.0 . . . . ?
C25G C31G C36G C35G -179.7(3) . . . . ?
C36G C35G C37G C38G 55.7(3) . . . . ?
C34G C35G C37G C38G -124.2(2) . . . . ?
C36G C35G C37G C42G -125.1(2) . . . . ?
C34G C35G C37G C42G 54.9(3) . . . . ?
C42G C37G C38G C39G 0.0 . . . . ?
C35G C37G C38G C39G 179.19(19) . . . . ?
C37G C38G C39G C40G 0.0 . . . . ?
C37G C38G C39G C43G 180.0(2) . . . . ?
C38G C39G C40G C41G 0.0 . . . . ?
C43G C39G C40G C41G -180.0(2) . . . . ?
C39G C40G C41G C42G 0.0 . . . . ?
C39G C40G C41G C47G 179.0(3) . . . . ?
C40G C41G C42G C37G 0.0 . . . . ?
C47G C41G C42G C37G -179.0(3) . . . . ?
C38G C37G C42G C41G 0.0 . . . . ?
C35G C37G C42G C41G -179.19(19) . . . . ?
C38G C39G C43G C44G 6.97(17) . . . . ?
C40G C39G C43G C44G -173.1(2) . . . . ?
C38G C39G C43G C46G -113.03(19) . . . . ?
C40G C39G C43G C46G 66.9(2) . . . . ?
C38G C39G C43G C45G 126.97(18) . . . . ?
C40G C39G C43G C45G -53.1(2) . . . . ?
C40G C41G C47G C48G -29.7(3) . . . . ?
C42G C41G C47G C48G 149.2(2) . . . . ?
C40G C41G C47G C52G 150.4(2) . . . . ?
C42G C41G C47G C52G -30.6(3) . . . . ?
C52G C47G C48G C49G 0.0 . . . . ?
C41G C47G C48G C49G -179.9(2) . . . . ?
C47G C48G C49G C50G 0.0 . . . . ?
C47G C48G C49G C53G -179.8(3) . . . . ?
C48G C49G C50G C51G 0.0 . . . . ?
C53G C49G C50G C51G 179.8(3) . . . . ?
C49G C50G C51G C52G 0.0 . . . . ?
C49G C50G C51G C57G -179.3(2) . . . . ?
C50G C51G C52G C47G 0.0 . . . . ?
C57G C51G C52G C47G 179.3(2) . . . . ?
C48G C47G C52G C51G 0.0 . . . . ?
C41G C47G C52G C51G 179.9(2) . . . . ?
C48G C49G C53G C55G 43.28(18) . . . . ?
C50G C49G C53G C55G -136.6(3) . . . . ?
C48G C49G C53G C54G 163.24(14) . . . . ?
C50G C49G C53G C54G -16.6(3) . . . . ?
C48G C49G C53G C56G -76.76(17) . . . . ?
C50G C49G C53G C56G 103.4(3) . . . . ?
C52G C51G C57G C58G -126.4(2) . . . . ?
C50G C51G C57G C58G 52.8(3) . . . . ?
C52G C51G C57G C62G 55.2(3) . . . . ?
C50G C51G C57G C62G -125.5(2) . . . . ?
C62G C57G C58G C59G 0.0 . . . . ?
C51G C57G C58G C59G -178.37(18) . . . . ?
C57G C58G C59G C60G 0.0 . . . . ?
C57G C58G C59G C63G 179.3(2) . . . . ?
C58G C59G C60G C61G 0.0 . . . . ?
C63G C59G C60G C61G -179.3(2) . . . . ?
C59G C60G C61G C62G 0.0 . . . . ?
C59G C60G C61G B3G 178.9(2) . . . . ?
C60G C61G C62G C57G 0.0 . . . . ?
B3G C61G C62G C57G -178.9(2) . . . . ?
C58G C57G C62G C61G 0.0 . . . . ?
C51G C57G C62G C61G 178.36(18) . . . . ?
C58G C59G C63G C64G 27.12(18) . . . . ?
C60G C59G C63G C64G -153.57(18) . . . . ?
C58G C59G C63G C66G -92.9(2) . . . . ?
C60G C59G C63G C66G 86.43(19) . . . . ?
C58G C59G C63G C65G 147.12(19) . . . . ?
C60G C59G C63G C65G -33.57(18) . . . . ?
C62E C61E B1G O1G -158.18(18) . . . . ?
C60E C61E B1G O1G 24.8(3) . . . . ?
C62E C61E B1G O3G 22.1(3) . . . . ?
C60E C61E B1G O3G -154.88(19) . . . . ?
O3G B1G O1G B2G 0.0 . . . . ?
C61E B1G O1G B2G -179.7(3) . . . . ?
B1G O1G B2G O2G 0.0 . . . . ?
B1G O1G B2G C61F -178.9(3) . . . . ?
C62F C61F B2G O1G 30.2(3) . . . . ?
C60F C61F B2G O1G -151.42(19) . . . . ?
C62F C61F B2G O2G -148.6(2) . . . . ?
C60F C61F B2G O2G 29.7(3) . . . . ?
O1G B2G O2G B3G 0.0 . . . . ?
C61F B2G O2G B3G 178.9(3) . . . . ?
B2G O2G B3G O3G 0.0 . . . . ?
B2G O2G B3G C61G 179.4(3) . . . . ?
C62G C61G B3G O2G 32.6(3) . . . . ?
C60G C61G B3G O2G -146.3(2) . . . . ?
C62G C61G B3G O3G -148.0(2) . . . . ?
C60G C61G B3G O3G 33.2(3) . . . . ?
O2G B3G O3G B1G 0.0 . . . . ?
C61G B3G O3G B1G -179.4(3) . . . . ?
O1G B1G O3G B3G 0.0 . . . . ?
C61E B1G O3G B3G 179.7(3) . . . . ?
C34E C33E C1H C2H 23.2(5) . . . . ?
C32E C33E C1H C2H -157.2(4) . . . . ?
C34E C33E C1H C6H -163.0(4) . . . . ?
C32E C33E C1H C6H 16.5(5) . . . . ?
C6H C1H C2H C3H 0.0 . . . . ?
C33E C1H C2H C3H 173.7(4) . . . . ?
C1H C2H C3H C4H 0.0 . . . . ?
C1H C2H C3H C33F -176.3(5) . . . . ?
C32F C33F C3H C4H -145.7(4) . . . . ?
C34F C33F C3H C4H 32.7(5) . . . . ?
C32F C33F C3H C2H 30.7(4) . . . . ?
C34F C33F C3H C2H -151.0(3) . . . . ?
C2H C3H C4H C5H 0.0 . . . . ?
C33F C3H C4H C5H 176.3(5) . . . . ?
C3H C4H C5H C6H 0.0 . . . . ?
C3H C4H C5H C33G 169.2(5) . . . . ?
C32G C33G C5H C6H -157.2(3) . . . . ?
C34G C33G C5H C6H 23.1(3) . . . . ?
C32G C33G C5H C4H 33.3(5) . . . . ?
C34G C33G C5H C4H -146.3(4) . . . . ?
C4H C5H C6H C1H 0.0 . . . . ?
C33G C5H C6H C1H -169.5(5) . . . . ?
C2H C1H C6H C5H 0.0 . . . . ?
C33E C1H C6H C5H -173.8(4) . . . . ?
