#------------------------------------------------------------------------------
#$Date: 2025-08-14 01:08:00 +0300 (Thu, 14 Aug 2025) $
#$Revision: 301732 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/54/1575410.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_1575410
_journal_paper_doi               10.1039/D5SC03887A
_chemical_formula_sum            'C258 H202'
_chemical_formula_weight         3302.18
_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-2019/2
_audit_update_record
;
2024-12-20 deposited with the CCDC.	2025-08-13 downloaded from the CCDC.
;
_cell_angle_alpha                103.49(3)
_cell_angle_beta                 94.55(3)
_cell_angle_gamma                112.42(3)
_cell_formula_units_Z            2
_cell_length_a                   17.520(4)
_cell_length_b                   19.890(4)
_cell_length_c                   34.140(7)
_cell_measurement_reflns_used    97176
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.511
_cell_measurement_theta_min      1.249
_cell_volume                     10505(5)
_computing_cell_refinement       XDS
_computing_data_collection       XDS
_computing_data_reduction        XDS
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.891
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7749
_diffrn_reflns_av_R_equivalents  0.1171
_diffrn_reflns_av_unetI/netI     0.1003
_diffrn_reflns_Laue_measured_fraction_full 0.891
_diffrn_reflns_Laue_measured_fraction_max 0.891
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            97176
_diffrn_reflns_point_group_measured_fraction_full 0.891
_diffrn_reflns_point_group_measured_fraction_max 0.891
_diffrn_reflns_theta_full        25.511
_diffrn_reflns_theta_max         25.511
_diffrn_reflns_theta_min         1.249
_diffrn_source                   'BESSY BL MX-14.1'
_exptl_absorpt_coefficient_mu    0.071
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.044
_exptl_crystal_description       block
_exptl_crystal_F_000             3500
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.235
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.936
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2377
_refine_ls_number_reflns         26934
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.936
_refine_ls_R_factor_all          0.1765
_refine_ls_R_factor_gt           0.0908
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1528P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2354
_refine_ls_wR_factor_ref         0.2873
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11013
_reflns_number_total             26934
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc03887a2.cif
_cod_data_source_block           4053
_cod_original_cell_volume        10505(4)
_cod_database_code               1575410
_shelx_shelxl_version_number     2019/2
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.996
_shelx_estimated_absorpt_t_max   0.999
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4108(4) 0.1643(4) 0.79870(17) 0.0837(18) Uani 1 1 d . . . . .
C2 C 0.4709(4) 0.1370(4) 0.81732(17) 0.104(2) Uani 1 1 d . . . . .
H2A H 0.470498 0.145118 0.846727 0.157 Uiso 1 1 calc R U . . .
H2B H 0.527842 0.165475 0.813319 0.157 Uiso 1 1 calc R U . . .
H2C H 0.453341 0.082803 0.803949 0.157 Uiso 1 1 calc R U . . .
C3 C 0.3212(4) 0.1115(3) 0.79652(17) 0.0921(19) Uani 1 1 d . . . . .
H3A H 0.311473 0.059848 0.781214 0.138 Uiso 1 1 calc R U . . .
H3B H 0.283306 0.127896 0.782595 0.138 Uiso 1 1 calc R U . . .
H3C H 0.310496 0.112433 0.824339 0.138 Uiso 1 1 calc R U . . .
C4 C 0.4214(4) 0.1598(3) 0.75293(15) 0.096(2) Uani 1 1 d . . . . .
H4A H 0.479658 0.191566 0.752299 0.144 Uiso 1 1 calc R U . . .
H4B H 0.383623 0.177857 0.740344 0.144 Uiso 1 1 calc R U . . .
H4C H 0.407470 0.107053 0.737666 0.144 Uiso 1 1 calc R U . . .
C5 C 0.4337(4) 0.2467(4) 0.82309(15) 0.0760(17) Uani 1 1 d . . . . .
C6 C 0.5084(4) 0.3039(4) 0.82112(16) 0.0837(18) Uani 1 1 d . . . . .
H6 H 0.539607 0.290760 0.801482 0.100 Uiso 1 1 calc R U . . .
C7 C 0.5410(4) 0.3781(4) 0.84522(16) 0.0783(17) Uani 1 1 d . . . . .
C8 C 0.4915(4) 0.3985(4) 0.87276(16) 0.0789(17) Uani 1 1 d . . . . .
C9 C 0.4100(4) 0.3452(4) 0.87279(15) 0.0785(17) Uani 1 1 d . . . . .
C10 C 0.3855(4) 0.2692(3) 0.84932(15) 0.0741(16) Uani 1 1 d . . . . .
H10 H 0.333785 0.231783 0.851532 0.089 Uiso 1 1 calc R U . . .
C11 C 0.6223(4) 0.4341(4) 0.84366(16) 0.0843(18) Uani 1 1 d . . . . .
C12 C 0.6732(5) 0.4156(4) 0.81867(18) 0.095(2) Uani 1 1 d . . . . .
H12 H 0.653160 0.364786 0.801783 0.114 Uiso 1 1 calc R U . . .
C13 C 0.7534(5) 0.4674(4) 0.81651(17) 0.099(2) Uani 1 1 d . . . . .
C14 C 0.7782(4) 0.5414(4) 0.84120(18) 0.095(2) Uani 1 1 d . . . . .
H14 H 0.831620 0.577914 0.840226 0.114 Uiso 1 1 calc R U . . .
C15 C 0.7312(4) 0.5662(4) 0.86705(16) 0.0845(18) Uani 1 1 d . . . . .
C16 C 0.6514(5) 0.5105(4) 0.86984(16) 0.0876(19) Uani 1 1 d . . . . .
C17 C 0.8159(5) 0.4446(4) 0.7942(2) 0.114(2) Uani 1 1 d . . . . .
C18 C 0.8708(6) 0.4301(6) 0.8247(2) 0.169(4) Uani 1 1 d . . . . .
H18A H 0.888434 0.470655 0.850628 0.254 Uiso 1 1 calc R U . . .
H18B H 0.920573 0.429179 0.813801 0.254 Uiso 1 1 calc R U . . .
H18C H 0.839086 0.381204 0.829571 0.254 Uiso 1 1 calc R U . . .
C19 C 0.7726(5) 0.3763(4) 0.7580(2) 0.155(4) Uani 1 1 d . . . . .
H19A H 0.749678 0.330859 0.767347 0.233 Uiso 1 1 calc R U . . .
H19B H 0.812877 0.371745 0.740357 0.233 Uiso 1 1 calc R U . . .
H19C H 0.726694 0.381642 0.742454 0.233 Uiso 1 1 calc R U . . .
C20 C 0.8742(5) 0.5071(5) 0.7782(2) 0.133(3) Uani 1 1 d . . . . .
H20A H 0.840715 0.524934 0.762356 0.200 Uiso 1 1 calc R U . . .
H20B H 0.906663 0.487033 0.760586 0.200 Uiso 1 1 calc R U . . .
H20C H 0.912608 0.549405 0.801369 0.200 Uiso 1 1 calc R U . . .
C21 C 0.7609(4) 0.6426(4) 0.89447(17) 0.0870(18) Uani 1 1 d . . . . .
C22 C 0.8299(5) 0.7019(4) 0.88995(19) 0.097(2) Uani 1 1 d . . . . .
H22 H 0.856254 0.692127 0.867324 0.117 Uiso 1 1 calc R U . . .
C23 C 0.8623(5) 0.7732(4) 0.9158(2) 0.094(2) Uani 1 1 d . . . . .
C24 C 0.8236(5) 0.7865(4) 0.94949(19) 0.100(2) Uani 1 1 d . . . . .
H24 H 0.846118 0.835775 0.968451 0.120 Uiso 1 1 calc R U . . .
C25 C 0.7536(4) 0.7302(4) 0.95590(17) 0.0861(18) Uani 1 1 d . . . . .
C26 C 0.7186(5) 0.6569(4) 0.92705(17) 0.0886(19) Uani 1 1 d . . . . .
C27 C 0.9357(5) 0.8391(4) 0.9091(2) 0.112(2) Uani 1 1 d . . . . .
C28 C 0.9856(6) 0.8143(5) 0.8796(3) 0.155(3) Uani 1 1 d . . . . .
H28A H 1.008866 0.782826 0.890025 0.233 Uiso 1 1 calc R U . . .
H28B H 1.031599 0.859044 0.876572 0.233 Uiso 1 1 calc R U . . .
H28C H 0.948912 0.784770 0.852812 0.233 Uiso 1 1 calc R U . . .
C29 C 0.9970(6) 0.8873(6) 0.9506(3) 0.227(6) Uani 1 1 d . . . . .
H29A H 0.986738 0.932555 0.961632 0.340 Uiso 1 1 calc R U . . .
H29B H 1.055132 0.902784 0.946163 0.340 Uiso 1 1 calc R U . . .
H29C H 0.987874 0.857050 0.970038 0.340 Uiso 1 1 calc R U . . .
C30 C 0.9005(6) 0.8876(5) 0.8912(3) 0.162(4) Uani 1 1 d . . . . .
H30A H 0.860587 0.856033 0.865549 0.243 Uiso 1 1 calc R U . . .
H30B H 0.946635 0.929256 0.885745 0.243 Uiso 1 1 calc R U . . .
H30C H 0.871641 0.908419 0.910842 0.243 Uiso 1 1 calc R U . . .
C31 C 0.6415(4) 0.6004(4) 0.92992(17) 0.0837(18) Uani 1 1 d . . . . .
C32 C 0.5974(4) 0.6159(3) 0.96095(16) 0.0793(17) Uani 1 1 d . . . . .
C33 C 0.6333(4) 0.6903(3) 0.99153(16) 0.0806(17) Uani 1 1 d . . . . .
C34 C 0.7117(5) 0.7451(4) 0.98929(17) 0.0875(18) Uani 1 1 d . . . . .
C35 C 0.7453(4) 0.8146(4) 1.01939(17) 0.0881(18) Uani 1 1 d . . . . .
H35 H 0.799967 0.850257 1.019349 0.106 Uiso 1 1 calc R U . . .
C36 C 0.7022(5) 0.8346(4) 1.04977(17) 0.093(2) Uani 1 1 d . . . . .
C37 C 0.6257(5) 0.7794(4) 1.05037(17) 0.094(2) Uani 1 1 d . . . . .
H37 H 0.596371 0.791071 1.071328 0.113 Uiso 1 1 calc R U . . .
C38 C 0.5883(5) 0.7071(4) 1.02207(16) 0.0827(18) Uani 1 1 d . . . . .
C39 C 0.7405(5) 0.9132(4) 1.07987(19) 0.097(2) Uani 1 1 d . . . . .
C40 C 0.8067(5) 0.9186(4) 1.1138(2) 0.128(3) Uani 1 1 d . . . . .
H40A H 0.849594 0.905280 1.101565 0.192 Uiso 1 1 calc R U . . .
H40B H 0.779917 0.883524 1.129496 0.192 Uiso 1 1 calc R U . . .
H40C H 0.833036 0.970615 1.132061 0.192 Uiso 1 1 calc R U . . .
C41 C 0.7810(5) 0.9753(4) 1.0582(2) 0.130(3) Uani 1 1 d . . . . .
H41A H 0.800715 1.025591 1.077976 0.194 Uiso 1 1 calc R U . . .
H41B H 0.739259 0.970529 1.035664 0.194 Uiso 1 1 calc R U . . .
H41C H 0.828705 0.968890 1.047308 0.194 Uiso 1 1 calc R U . . .
C42 C 0.6747(5) 0.9355(3) 1.09878(19) 0.109(2) Uani 1 1 d . . . . .
H42A H 0.648968 0.902291 1.115579 0.163 Uiso 1 1 calc R U . . .
H42B H 0.631280 0.930415 1.076936 0.163 Uiso 1 1 calc R U . . .
H42C H 0.701515 0.988328 1.115996 0.163 Uiso 1 1 calc R U . . .
C43 C 0.6059(4) 0.5281(4) 0.90072(16) 0.0814(17) Uani 1 1 d . . . . .
C44 C 0.5275(4) 0.4737(4) 0.90142(16) 0.0767(17) Uani 1 1 d . . . . .
C45 C 0.4813(4) 0.4901(3) 0.93183(16) 0.0760(16) Uani 1 1 d . . . . .
C46 C 0.5161(4) 0.5611(4) 0.96172(16) 0.0799(17) Uani 1 1 d . . . . .
C47 C 0.3959(4) 0.4375(4) 0.93039(15) 0.0781(17) Uani 1 1 d . . . . .
C48 C 0.3568(4) 0.3711(3) 0.89848(15) 0.0728(16) Uani 1 1 d . . . . .
C49 C 0.2684(4) 0.3287(3) 0.89187(16) 0.0752(16) Uani 1 1 d . . . . .
C50 C 0.2271(5) 0.3417(4) 0.92532(16) 0.0782(17) Uani 1 1 d . . . . .
C51 C 0.2694(4) 0.4067(4) 0.95897(16) 0.0794(17) Uani 1 1 d . . . . .
C52 C 0.3502(4) 0.4583(4) 0.96060(16) 0.0785(17) Uani 1 1 d . . . . .
C53 C 0.3868(5) 0.5310(4) 0.99109(15) 0.0811(17) Uani 1 1 d . . . . .
C54 C 0.4709(4) 0.5838(4) 0.99202(16) 0.0798(17) Uani 1 1 d . . . . .
C55 C 0.5043(5) 0.6542(4) 1.02116(16) 0.088(2) Uani 1 1 d . . . . .
C56 C 0.4501(5) 0.6762(4) 1.04358(16) 0.0862(18) Uani 1 1 d . . . . .
H56 H 0.472221 0.725949 1.061931 0.103 Uiso 1 1 calc R U . . .
C57 C 0.3685(5) 0.6313(4) 1.04085(17) 0.0886(19) Uani 1 1 d . . . . .
C58 C 0.3372(5) 0.5537(4) 1.01851(16) 0.0877(19) Uani 1 1 d . . . . .
C59 C 0.2614(4) 0.4926(4) 1.02255(16) 0.0832(18) Uani 1 1 d . . . . .
C60 C 0.2232(4) 0.4983(4) 1.05764(16) 0.0858(18) Uani 1 1 d . . . . .
H60 H 0.249988 0.541798 1.080717 0.103 Uiso 1 1 calc R U . . .
C61 C 0.1498(5) 0.4433(4) 1.05873(17) 0.091(2) Uani 1 1 d . . . . .
H61 H 0.127567 0.450391 1.083093 0.109 Uiso 1 1 calc R U . . .
C62 C 0.1033(5) 0.3765(4) 1.02720(16) 0.0828(18) Uani 1 1 d . . . . .
C63 C 0.1442(5) 0.3651(4) 0.99251(16) 0.0860(19) Uani 1 1 d . . . . .
C64 C 0.2235(5) 0.4218(4) 0.99175(16) 0.0826(18) Uani 1 1 d . . . . .
C65 C 0.3133(5) 0.6763(4) 1.05661(18) 0.097(2) Uani 1 1 d . . . . .
C66 C 0.3198(5) 0.6972(4) 1.10407(17) 0.124(3) Uani 1 1 d . . . . .
H66A H 0.297505 0.650628 1.112507 0.187 Uiso 1 1 calc R U . . .
H66B H 0.287300 0.727075 1.112097 0.187 Uiso 1 1 calc R U . . .
H66C H 0.378870 0.727058 1.117431 0.187 Uiso 1 1 calc R U . . .
C67 C 0.3471(5) 0.7537(4) 1.04630(19) 0.114(2) Uani 1 1 d . . . . .
H67A H 0.401676 0.787452 1.064068 0.171 Uiso 1 1 calc R U . . .
H67B H 0.307279 0.777115 1.050794 0.171 Uiso 1 1 calc R U . . .
H67C H 0.353750 0.745094 1.017556 0.171 Uiso 1 1 calc R U . . .
C68 C 0.2201(5) 0.6357(4) 1.03345(19) 0.119(3) Uani 1 1 d . . . . .
H68A H 0.218568 0.618730 1.003938 0.178 Uiso 1 1 calc R U . . .
H68B H 0.193123 0.671149 1.038785 0.178 Uiso 1 1 calc R U . . .
H68C H 0.189998 0.591772 1.043096 0.178 Uiso 1 1 calc R U . . .
C69 C 0.1027(4) 0.2986(4) 0.95898(16) 0.0825(18) Uani 1 1 d . . . . .
C70 C 0.1442(5) 0.2880(4) 0.92456(16) 0.0848(18) Uani 1 1 d . . . . .
C71 C 0.1020(4) 0.2241(4) 0.89098(16) 0.0782(17) Uani 1 1 d . . . . .
C72 C 0.0220(5) 0.1679(4) 0.89006(16) 0.0846(18) Uani 1 1 d . . . . .
C73 C -0.0189(5) 0.1806(4) 0.92460(17) 0.0877(19) Uani 1 1 d . . . . .
C74 C 0.0217(5) 0.2435(4) 0.95858(17) 0.0874(18) Uani 1 1 d . . . . .
C75 C -0.0193(5) 0.2568(4) 0.99272(16) 0.0887(19) Uani 1 1 d . . . . .
C76 C -0.0987(5) 0.2038(5) 0.99216(18) 0.103(2) Uani 1 1 d . . . . .
C77 C -0.1419(5) 0.1350(4) 0.95762(19) 0.096(2) Uani 1 1 d . . . . .
C78 C -0.1003(5) 0.1254(4) 0.92384(17) 0.093(2) Uani 1 1 d . . . . .
C79 C -0.1409(4) 0.0597(4) 0.88976(18) 0.0919(19) Uani 1 1 d . . . . .
C80 C -0.2192(5) 0.0063(4) 0.89110(18) 0.113(2) Uani 1 1 d . . . . .
H80 H -0.245521 -0.037582 0.868240 0.136 Uiso 1 1 calc R U . . .
C81 C -0.2619(5) 0.0127(5) 0.9238(2) 0.116(2) Uani 1 1 d . . . . .
C82 C -0.2203(5) 0.0785(5) 0.95611(19) 0.112(2) Uani 1 1 d . . . . .
H82 H -0.247269 0.085342 0.978839 0.135 Uiso 1 1 calc R U . . .
C83 C -0.1393(4) 0.2179(4) 1.02458(19) 0.103(2) Uani 1 1 d . . . . .
H83 H -0.195146 0.183251 1.023541 0.124 Uiso 1 1 calc R U . . .
C84 C -0.0994(5) 0.2822(5) 1.05888(19) 0.098(2) Uani 1 1 d . . . . .
C85 C -0.0200(5) 0.3330(4) 1.05944(17) 0.096(2) Uani 1 1 d . . . . .
H85 H 0.007626 0.376803 1.082263 0.115 Uiso 1 1 calc R U . . .
C86 C 0.0207(5) 0.3208(4) 1.02658(18) 0.0911(19) Uani 1 1 d . . . . .
C87 C -0.1479(5) 0.2948(4) 1.09351(19) 0.099(2) Uani 1 1 d . . . . .
C88 C -0.0916(5) 0.3605(4) 1.1303(2) 0.135(3) Uani 1 1 d . . . . .
H88A H -0.051454 0.345979 1.143930 0.202 Uiso 1 1 calc R U . . .
H88B H -0.126042 0.373019 1.149511 0.202 Uiso 1 1 calc R U . . .
H88C H -0.060885 0.404792 1.121022 0.202 Uiso 1 1 calc R U . . .
C89 C -0.2209(6) 0.3099(6) 1.0772(2) 0.161(4) Uani 1 1 d . . . . .
H89A H -0.200481 0.362878 1.076744 0.242 Uiso 1 1 calc R U . . .
H89B H -0.262687 0.300306 1.095012 0.242 Uiso 1 1 calc R U . . .
H89C H -0.246621 0.276275 1.049364 0.242 Uiso 1 1 calc R U . . .
C90 C -0.1863(5) 0.2217(4) 1.1074(2) 0.122(3) Uani 1 1 d . . . . .
H90A H -0.226518 0.180277 1.084387 0.183 Uiso 1 1 calc R U . . .
H90B H -0.215229 0.231114 1.130119 0.183 Uiso 1 1 calc R U . . .
H90C H -0.141369 0.207781 1.116433 0.183 Uiso 1 1 calc R U . . .
C91 C -0.3450(5) -0.0496(6) 0.9242(2) 0.135(3) Uani 1 1 d . . . . .
C92 C -0.3293(7) -0.1209(6) 0.9307(3) 0.190(4) Uani 1 1 d . . . . .
H92A H -0.381843 -0.159252 0.933850 0.286 Uiso 1 1 calc R U . . .
H92B H -0.286544 -0.104260 0.955361 0.286 Uiso 1 1 calc R U . . .
H92C H -0.309827 -0.142761 0.906824 0.286 Uiso 1 1 calc R U . . .
C93 C -0.4037(6) -0.0745(7) 0.8842(3) 0.237(7) Uani 1 1 d . . . . .
H93A H -0.379137 -0.094268 0.861933 0.356 Uiso 1 1 calc R U . . .
H93B H -0.412945 -0.031151 0.879592 0.356 Uiso 1 1 calc R U . . .
H93C H -0.457443 -0.114351 0.884985 0.356 Uiso 1 1 calc R U . . .
C94 C -0.3850(6) -0.0294(6) 0.9590(3) 0.183(4) Uani 1 1 d . . . . .
H94A H -0.430230 -0.075355 0.961300 0.275 Uiso 1 1 calc R U . . .
H94B H -0.408314 0.006345 0.954390 0.275 Uiso 1 1 calc R U . . .
H94C H -0.342955 -0.005784 0.984430 0.275 Uiso 1 1 calc R U . . .
C95 C -0.0220(4) 0.1032(3) 0.85561(16) 0.0759(16) Uani 1 1 d . . . . .
C96 C -0.1021(4) 0.0503(4) 0.85436(18) 0.0866(18) Uani 1 1 d . . . . .
C97 C -0.1431(4) -0.0086(4) 0.81813(19) 0.094(2) Uani 1 1 d . . . . .
H97 H -0.200439 -0.041473 0.815512 0.113 Uiso 1 1 calc R U . . .
C98 C -0.1016(5) -0.0198(4) 0.78612(18) 0.096(2) Uani 1 1 d . . . . .
H98 H -0.130809 -0.061101 0.762218 0.115 Uiso 1 1 calc R U . . .
C99 C -0.0184(4) 0.0276(4) 0.78795(17) 0.0829(18) Uani 1 1 d . . . . .
C100 C 0.0207(4) 0.0944(4) 0.82100(16) 0.0817(18) Uani 1 1 d . . . . .
C101 C 0.0972(4) 0.1537(3) 0.82013(15) 0.0716(15) Uani 1 1 d . . . . .
C102 C 0.1286(4) 0.1488(3) 0.78335(15) 0.0754(16) Uani 1 1 d . . . . .
C103 C 0.0960(4) 0.0787(3) 0.75103(15) 0.0762(16) Uani 1 1 d . . . . .
C104 C 0.0288(4) 0.0146(4) 0.75545(15) 0.0820(17) Uani 1 1 d . . . . .
C105 C 0.0097(4) -0.0592(4) 0.72726(17) 0.0935(19) Uani 1 1 d . . . . .
C106 C 0.0411(4) -0.0580(4) 0.69187(16) 0.0882(18) Uani 1 1 d . . . . .
H106 H 0.023009 -0.104999 0.671223 0.106 Uiso 1 1 calc R U . . .
C107 C 0.0973(4) 0.0062(3) 0.68354(15) 0.0749(16) Uani 1 1 d . . . . .
C108 C 0.1296(4) 0.0753(3) 0.71517(14) 0.0694(15) Uani 1 1 d . . . . .
C109 C -0.0323(5) -0.1392(4) 0.7347(2) 0.109(2) Uani 1 1 d . . . . .
C110 C 0.0209(6) -0.1853(4) 0.7191(2) 0.159(4) Uani 1 1 d . . . . .
H11A H 0.018425 -0.192995 0.689536 0.239 Uiso 1 1 calc R U . . .
H11B H -0.002276 -0.234686 0.724665 0.239 Uiso 1 1 calc R U . . .
H11C H 0.079423 -0.156844 0.733422 0.239 Uiso 1 1 calc R U . . .
C111 C -0.1231(6) -0.1861(4) 0.7100(2) 0.148(3) Uani 1 1 d . . . . .
H11D H -0.158225 -0.158963 0.718470 0.223 Uiso 1 1 calc R U . . .
H11E H -0.146060 -0.235698 0.715281 0.223 Uiso 1 1 calc R U . . .
H11F H -0.122510 -0.193111 0.680677 0.223 Uiso 1 1 calc R U . . .
C112 C -0.0264(5) -0.1342(4) 0.7808(2) 0.137(3) Uani 1 1 d . . . . .
H11G H 0.032706 -0.115057 0.793820 0.205 Uiso 1 1 calc R U . . .
H11H H -0.057554 -0.184740 0.783966 0.205 Uiso 1 1 calc R U . . .
H11I H -0.050510 -0.099642 0.793966 0.205 Uiso 1 1 calc R U . . .
C113 C 0.1407(4) 0.2192(3) 0.85476(15) 0.0728(15) Uani 1 1 d . . . . .
C114 C 0.2147(4) 0.2767(3) 0.85321(14) 0.0669(15) Uani 1 1 d . . . . .
C115 C 0.2343(4) 0.2802(3) 0.81308(16) 0.0740(16) Uani 1 1 d . . . . .
C116 C 0.1959(4) 0.2123(3) 0.77951(14) 0.0669(15) Uani 1 1 d . . . . .
C117 C 0.2297(4) 0.2117(3) 0.74265(15) 0.0713(16) Uani 1 1 d . . . . .
C118 C 0.1972(4) 0.1404(3) 0.71099(15) 0.0708(15) Uani 1 1 d . . . . .
C119 C 0.2320(4) 0.1349(3) 0.67513(14) 0.0692(15) Uani 1 1 d . . . . .
C120 C 0.2000(4) 0.0639(3) 0.64352(14) 0.0684(15) Uani 1 1 d . . . . .
C121 C 0.1297(4) 0.0021(3) 0.64597(15) 0.0726(16) Uani 1 1 d . . . . .
C122 C 0.0926(4) -0.0597(3) 0.61124(15) 0.0775(16) Uani 1 1 d . . . . .
H122 H 0.039732 -0.098140 0.611245 0.093 Uiso 1 1 calc R U . . .
C123 C 0.1282(4) -0.0689(3) 0.57637(15) 0.0749(16) Uani 1 1 d . . . . .
C124 C 0.2092(4) -0.0140(3) 0.57815(15) 0.0721(16) Uani 1 1 d . . . . .
C125 C 0.2384(4) 0.0566(3) 0.60827(15) 0.0684(15) Uani 1 1 d . . . . .
C126 C 0.0684(4) -0.1290(3) 0.53637(16) 0.0815(17) Uani 1 1 d . . . . .
C127 C -0.0208(4) -0.1365(4) 0.53735(16) 0.096(2) Uani 1 1 d . . . . .
H12A H -0.044854 -0.166313 0.555950 0.144 Uiso 1 1 calc R U . . .
H12B H -0.054879 -0.162005 0.509708 0.144 Uiso 1 1 calc R U . . .
H12C H -0.020410 -0.085879 0.547028 0.144 Uiso 1 1 calc R U . . .
C128 C 0.0652(4) -0.2089(3) 0.53006(18) 0.101(2) Uani 1 1 d . . . . .
H12D H 0.121228 -0.207400 0.527842 0.152 Uiso 1 1 calc R U . . .
H12E H 0.025392 -0.243137 0.504841 0.152 Uiso 1 1 calc R U . . .
H12F H 0.046996 -0.227259 0.553445 0.152 Uiso 1 1 calc R U . . .
C129 C 0.0906(4) -0.0989(3) 0.49873(15) 0.094(2) Uani 1 1 d . . . . .
H12G H 0.095640 -0.046537 0.504697 0.142 Uiso 1 1 calc R U . . .
H12H H 0.046037 -0.130874 0.474756 0.142 Uiso 1 1 calc R U . . .
H12I H 0.144001 -0.100205 0.493030 0.142 Uiso 1 1 calc R U . . .
C130 C 0.2670(4) -0.0229(3) 0.55082(14) 0.0708(15) Uani 1 1 d . . . . .
C131 C 0.2691(4) -0.0926(3) 0.53182(14) 0.0732(16) Uani 1 1 d . . . . .
H131 H 0.235885 -0.136560 0.539135 0.088 Uiso 1 1 calc R U . . .
C132 C 0.3181(4) -0.0988(3) 0.50289(15) 0.0739(16) Uani 1 1 d . . . . .
H132 H 0.318148 -0.146991 0.491108 0.089 Uiso 1 1 calc R U . . .
C133 C 0.3679(4) -0.0371(3) 0.49005(14) 0.0729(16) Uani 1 1 d . . . . .
C134 C 0.3743(4) 0.0349(3) 0.51202(14) 0.0678(15) Uani 1 1 d . . . . .
C135 C 0.3275(4) 0.0425(3) 0.54425(14) 0.0712(15) Uani 1 1 d . . . . .
C136 C 0.3418(4) 0.1152(3) 0.56894(14) 0.0682(15) Uani 1 1 d . . . . .
C137 C 0.3044(4) 0.1214(3) 0.60396(14) 0.0680(15) Uani 1 1 d . . . . .
C138 C 0.3322(4) 0.1941(3) 0.63277(14) 0.0712(16) Uani 1 1 d . . . . .
C139 C 0.3886(4) 0.2612(3) 0.62542(15) 0.0771(17) Uani 1 1 d . . . . .
C140 C 0.4052(4) 0.2536(3) 0.58385(15) 0.0748(16) Uani 1 1 d . . . . .
C141 C 0.3941(4) 0.1816(3) 0.55954(14) 0.0704(15) Uani 1 1 d . . . . .
C142 C 0.2976(4) 0.2000(3) 0.67052(15) 0.0742(16) Uani 1 1 d . . . . .
C143 C 0.3269(4) 0.2701(3) 0.70103(15) 0.0679(15) Uani 1 1 d . . . . .
C144 C 0.3931(4) 0.3347(3) 0.69542(15) 0.0723(16) Uani 1 1 d . . . . .
C145 C 0.4269(4) 0.3301(3) 0.65887(15) 0.0753(17) Uani 1 1 d . . . . .
C146 C 0.5017(4) 0.3908(3) 0.65825(16) 0.0785(17) Uani 1 1 d . . . . .
H146 H 0.527728 0.385389 0.635054 0.094 Uiso 1 1 calc R U . . .
C147 C 0.5397(4) 0.4589(3) 0.69025(16) 0.0753(16) Uani 1 1 d . . . . .
C148 C 0.4974(4) 0.4650(3) 0.72349(15) 0.0786(17) Uani 1 1 d . . . . .
H148 H 0.518704 0.511866 0.744521 0.094 Uiso 1 1 calc R U . . .
C149 C 0.4251(4) 0.4049(3) 0.72690(16) 0.0812(17) Uani 1 1 d . . . . .
C150 C 0.6220(4) 0.5206(3) 0.69181(17) 0.0820(17) Uani 1 1 d . . . . .
C151 C 0.6843(4) 0.5301(4) 0.7290(2) 0.117(2) Uani 1 1 d . . . . .
H15A H 0.661869 0.540681 0.753988 0.175 Uiso 1 1 calc R U . . .
H15B H 0.738124 0.572415 0.730892 0.175 Uiso 1 1 calc R U . . .
H15C H 0.692816 0.483350 0.725834 0.175 Uiso 1 1 calc R U . . .
C152 C 0.6146(4) 0.5964(3) 0.69626(18) 0.097(2) Uani 1 1 d . . . . .
H15D H 0.579501 0.593083 0.671463 0.145 Uiso 1 1 calc R U . . .
H15E H 0.670698 0.637031 0.700104 0.145 Uiso 1 1 calc R U . . .
H15F H 0.588950 0.607388 0.720058 0.145 Uiso 1 1 calc R U . . .
C153 C 0.6599(4) 0.5060(3) 0.65360(18) 0.101(2) Uani 1 1 d . . . . .
H15G H 0.666322 0.458189 0.649658 0.151 Uiso 1 1 calc R U . . .
H15H H 0.715045 0.547735 0.657042 0.151 Uiso 1 1 calc R U . . .
H15I H 0.622667 0.502840 0.629605 0.151 Uiso 1 1 calc R U . . .
C154 C 0.3839(4) 0.4114(3) 0.76210(15) 0.0751(16) Uani 1 1 d . . . . .
C155 C 0.3235(4) 0.3459(3) 0.76902(14) 0.0713(16) Uani 1 1 d . . . . .
C156 C 0.2945(4) 0.2739(3) 0.73725(15) 0.0693(15) Uani 1 1 d . . . . .
C157 C 0.2911(4) 0.3495(3) 0.80500(15) 0.0746(16) Uani 1 1 d . . . . .
C158 C 0.3087(4) 0.4228(3) 0.83092(16) 0.0812(17) Uani 1 1 d . . . . .
H158 H 0.282912 0.426645 0.854291 0.097 Uiso 1 1 calc R U . . .
C159 C 0.3623(4) 0.4893(3) 0.82351(15) 0.0775(17) Uani 1 1 d . . . . .
C160 C 0.4018(4) 0.4813(3) 0.78958(15) 0.0839(18) Uani 1 1 d . . . . .
H160 H 0.442356 0.525614 0.785250 0.101 Uiso 1 1 calc R U . . .
C161 C 0.3783(5) 0.5695(3) 0.84976(16) 0.0831(18) Uani 1 1 d . . . . .
C162 C 0.3400(5) 0.6056(3) 0.82294(18) 0.114(2) Uani 1 1 d . . . . .
H16A H 0.373012 0.616303 0.801512 0.171 Uiso 1 1 calc R U . . .
H16B H 0.340914 0.652942 0.840050 0.171 Uiso 1 1 calc R U . . .
H16C H 0.281893 0.570367 0.810219 0.171 Uiso 1 1 calc R U . . .
C163 C 0.4725(5) 0.6174(3) 0.86435(18) 0.099(2) Uani 1 1 d . . . . .
H16D H 0.496909 0.591407 0.879115 0.148 Uiso 1 1 calc R U . . .
H16E H 0.481820 0.666882 0.882664 0.148 Uiso 1 1 calc R U . . .
H16F H 0.499290 0.624711 0.840624 0.148 Uiso 1 1 calc R U . . .
C164 C 0.3365(4) 0.5662(3) 0.88706(16) 0.095(2) Uani 1 1 d . . . . .
H16G H 0.276050 0.534943 0.878121 0.142 Uiso 1 1 calc R U . . .
H16H H 0.345882 0.617616 0.902591 0.142 Uiso 1 1 calc R U . . .
H16I H 0.360798 0.543835 0.904518 0.142 Uiso 1 1 calc R U . . .
C165 C 0.4330(4) 0.1734(3) 0.52443(14) 0.0746(16) Uani 1 1 d . . . . .
C166 C 0.4269(4) 0.1019(3) 0.50259(14) 0.0704(15) Uani 1 1 d . . . . .
C167 C 0.4713(4) 0.0952(3) 0.46972(15) 0.0750(16) Uani 1 1 d . . . . .
C168 C 0.4612(4) 0.0214(3) 0.44600(15) 0.0759(16) Uani 1 1 d . . . . .
C169 C 0.4095(4) -0.0437(3) 0.45538(15) 0.0746(16) Uani 1 1 d . . . . .
C170 C 0.3908(4) -0.1158(3) 0.42865(15) 0.0797(17) Uani 1 1 d . . . . .
H170 H 0.353850 -0.160050 0.434500 0.096 Uiso 1 1 calc R U . . .
C171 C 0.4267(4) -0.1225(3) 0.39326(15) 0.0732(16) Uani 1 1 d . . . . .
C172 C 0.4827(4) -0.0583(3) 0.38678(16) 0.0833(17) Uani 1 1 d . . . . .
H172 H 0.510090 -0.063290 0.364037 0.100 Uiso 1 1 calc R U . . .
C173 C 0.5019(4) 0.0147(3) 0.41200(15) 0.0762(16) Uani 1 1 d . . . . .
C174 C 0.3953(5) -0.2001(3) 0.36105(17) 0.0890(19) Uani 1 1 d . . . . .
C175 C 0.3826(4) -0.2637(3) 0.38059(18) 0.101(2) Uani 1 1 d . . . . .
H17A H 0.435675 -0.253712 0.397610 0.152 Uiso 1 1 calc R U . . .
H17B H 0.364205 -0.311948 0.359085 0.152 Uiso 1 1 calc R U . . .
H17C H 0.339749 -0.266710 0.397695 0.152 Uiso 1 1 calc R U . . .
C176 C 0.3074(5) -0.2124(4) 0.33790(18) 0.112(2) Uani 1 1 d . . . . .
H17D H 0.270224 -0.209944 0.357663 0.168 Uiso 1 1 calc R U . . .
H17E H 0.282267 -0.262201 0.317400 0.168 Uiso 1 1 calc R U . . .
H17F H 0.315086 -0.172647 0.324256 0.168 Uiso 1 1 calc R U . . .
C177 C 0.4530(5) -0.2020(3) 0.33086(16) 0.105(2) Uani 1 1 d . . . . .
H17G H 0.452067 -0.168439 0.314073 0.158 Uiso 1 1 calc R U . . .
H17H H 0.434107 -0.254012 0.313122 0.158 Uiso 1 1 calc R U . . .
H17I H 0.510339 -0.184908 0.345706 0.158 Uiso 1 1 calc R U . . .
C178 C 0.5613(4) 0.0839(3) 0.40395(15) 0.0755(16) Uani 1 1 d . . . . .
C179 C 0.5673(4) 0.1555(3) 0.42651(14) 0.0746(16) Uani 1 1 d . . . . .
C180 C 0.5212(4) 0.1615(3) 0.45950(15) 0.0764(16) Uani 1 1 d . . . . .
C181 C 0.5260(4) 0.2332(3) 0.48157(15) 0.0716(15) Uani 1 1 d . . . . .
C182 C 0.4828(4) 0.2391(3) 0.51434(14) 0.0693(15) Uani 1 1 d . . . . .
C183 C 0.5787(4) 0.3005(3) 0.47134(15) 0.0746(16) Uani 1 1 d . . . . .
C184 C 0.6234(4) 0.2944(3) 0.43862(15) 0.0799(17) Uani 1 1 d . . . . .
C185 C 0.6204(4) 0.2216(3) 0.41690(15) 0.0774(16) Uani 1 1 d . . . . .
C186 C 0.6709(4) 0.2132(3) 0.38817(14) 0.0804(17) Uani 1 1 d . . . . .
H186 H 0.708361 0.257522 0.382535 0.096 Uiso 1 1 calc R U . . .
C187 C 0.6693(4) 0.1442(3) 0.36747(15) 0.0777(17) Uani 1 1 d . . . . .
C188 C 0.6135(4) 0.0807(3) 0.37554(15) 0.0795(17) Uani 1 1 d . . . . .
H188 H 0.610439 0.032431 0.361076 0.095 Uiso 1 1 calc R U . . .
C189 C 0.7333(4) 0.1427(3) 0.33918(17) 0.0831(18) Uani 1 1 d . . . . .
C190 C 0.7238(4) 0.0614(3) 0.31946(16) 0.095(2) Uani 1 1 d . . . . .
H19D H 0.731187 0.038170 0.341019 0.143 Uiso 1 1 calc R U . . .
H19E H 0.766494 0.062782 0.302391 0.143 Uiso 1 1 calc R U . . .
H19F H 0.667719 0.031396 0.302425 0.143 Uiso 1 1 calc R U . . .
C191 C 0.8221(4) 0.1879(4) 0.36428(17) 0.0946(19) Uani 1 1 d . . . . .
H19G H 0.832388 0.241523 0.374333 0.142 Uiso 1 1 calc R U . . .
H19H H 0.862858 0.182893 0.347016 0.142 Uiso 1 1 calc R U . . .
H19I H 0.828175 0.168344 0.387619 0.142 Uiso 1 1 calc R U . . .
C192 C 0.7208(4) 0.1774(3) 0.30470(16) 0.097(2) Uani 1 1 d . . . . .
H19J H 0.663285 0.148756 0.289048 0.145 Uiso 1 1 calc R U . . .
H19K H 0.760730 0.174977 0.286446 0.145 Uiso 1 1 calc R U . . .
H19L H 0.730439 0.230402 0.316616 0.145 Uiso 1 1 calc R U . . .
C193 C 0.6696(4) 0.3614(3) 0.42887(16) 0.0842(18) Uani 1 1 d . . . . .
H193 H 0.695345 0.358786 0.405431 0.101 Uiso 1 1 calc R U . . .
C194 C 0.6781(4) 0.4311(3) 0.45284(16) 0.0824(17) Uani 1 1 d . . . . .
H194 H 0.711486 0.475427 0.445895 0.099 Uiso 1 1 calc R U . . .
C195 C 0.6392(4) 0.4391(3) 0.48724(16) 0.0813(17) Uani 1 1 d . . . . .
C196 C 0.5851(4) 0.3727(3) 0.49465(15) 0.0777(16) Uani 1 1 d . . . . .
C197 C 0.5327(4) 0.3759(3) 0.52369(15) 0.0774(17) Uani 1 1 d . . . . .
C198 C 0.4829(4) 0.3107(3) 0.53517(15) 0.0754(16) Uani 1 1 d . . . . .
C199 C 0.4353(4) 0.3164(3) 0.56567(14) 0.0724(16) Uani 1 1 d . . . . .
C200 C 0.4178(4) 0.3824(3) 0.57716(15) 0.0768(16) Uani 1 1 d . . . . .
C201 C 0.4726(4) 0.4505(3) 0.56977(15) 0.0721(15) Uani 1 1 d . . . . .
C202 C 0.5321(4) 0.4479(3) 0.54381(15) 0.0796(17) Uani 1 1 d . . . . .
C203 C 0.5915(4) 0.5146(3) 0.53729(15) 0.0785(17) Uani 1 1 d . . . . .
C204 C 0.6528(4) 0.5119(3) 0.51437(16) 0.0767(17) Uani 1 1 d . . . . .
C205 C 0.7254(5) 0.5810(4) 0.51912(16) 0.089(2) Uani 1 1 d . . . . .
C206 C 0.8169(5) 0.5910(3) 0.51549(17) 0.0878(19) Uani 1 1 d . . . . .
C207 C 0.8459(4) 0.6189(4) 0.47843(19) 0.109(2) Uani 1 1 d . . . . .
H20D H 0.805458 0.585006 0.453353 0.163 Uiso 1 1 calc R U . . .
H20E H 0.901326 0.618922 0.476023 0.163 Uiso 1 1 calc R U . . .
H20F H 0.849511 0.670492 0.482401 0.163 Uiso 1 1 calc R U . . .
C208 C 0.8348(4) 0.5198(3) 0.51512(19) 0.101(2) Uani 1 1 d . . . . .
H20G H 0.807180 0.496110 0.535281 0.151 Uiso 1 1 calc R U . . .
H20H H 0.895570 0.535230 0.522096 0.151 Uiso 1 1 calc R U . . .
H20I H 0.812961 0.483371 0.487753 0.151 Uiso 1 1 calc R U . . .
C209 C 0.8774(4) 0.6515(3) 0.55509(18) 0.105(2) Uani 1 1 d . . . . .
H20J H 0.868855 0.698326 0.559034 0.158 Uiso 1 1 calc R U . . .
H20K H 0.935729 0.661954 0.552255 0.158 Uiso 1 1 calc R U . . .
H20L H 0.865497 0.632032 0.578820 0.158 Uiso 1 1 calc R U . . .
C210 C 0.7157(5) 0.6472(4) 0.53416(17) 0.095(2) Uani 1 1 d . . . . .
H210 H 0.757109 0.692817 0.531527 0.114 Uiso 1 1 calc R U . . .
C211 C 0.6498(5) 0.6521(4) 0.55289(17) 0.091(2) Uani 1 1 d . . . . .
C212 C 0.5913(4) 0.5860(3) 0.55839(16) 0.0807(17) Uani 1 1 d . . . . .
C213 C 0.5316(4) 0.5889(3) 0.58500(16) 0.0780(16) Uani 1 1 d . . . . .
C214 C 0.5372(4) 0.6600(3) 0.60788(17) 0.0760(16) Uani 1 1 d . . . . .
C215 C 0.5983(4) 0.7298(3) 0.60333(18) 0.0823(17) Uani 1 1 d . . . . .
C216 C 0.6486(4) 0.7245(4) 0.57303(18) 0.0865(18) Uani 1 1 d . . . . .
C217 C 0.7048(4) 0.7932(4) 0.56753(19) 0.0945(19) Uani 1 1 d . . . . .
H217 H 0.738680 0.790925 0.547274 0.113 Uiso 1 1 calc R U . . .
C218 C 0.7129(4) 0.8644(4) 0.5906(2) 0.095(2) Uani 1 1 d . . . . .
C219 C 0.6631(4) 0.8663(3) 0.61993(19) 0.0880(18) Uani 1 1 d . . . . .
H219 H 0.668460 0.914411 0.636018 0.106 Uiso 1 1 calc R U . . .
C220 C 0.6048(4) 0.8008(3) 0.62714(18) 0.0826(17) Uani 1 1 d . . . . .
C221 C 0.7809(4) 0.9368(3) 0.5865(2) 0.0915(19) Uani 1 1 d . . . . .
C222 C 0.8628(4) 0.9555(4) 0.6157(2) 0.107(2) Uani 1 1 d . . . . .
H22A H 0.851955 0.958296 0.643590 0.161 Uiso 1 1 calc R U . . .
H22B H 0.905686 1.004400 0.615274 0.161 Uiso 1 1 calc R U . . .
H22C H 0.882840 0.915678 0.606651 0.161 Uiso 1 1 calc R U . . .
C223 C 0.7962(4) 0.9279(4) 0.54241(19) 0.108(2) Uani 1 1 d . . . . .
H22D H 0.822315 0.892050 0.535628 0.161 Uiso 1 1 calc R U . . .
H22E H 0.833669 0.977316 0.539825 0.161 Uiso 1 1 calc R U . . .
H22F H 0.742552 0.908789 0.523557 0.161 Uiso 1 1 calc R U . . .
C224 C 0.7565(4) 1.0053(4) 0.5991(2) 0.115(2) Uani 1 1 d . . . . .
H22G H 0.703330 0.994017 0.581714 0.173 Uiso 1 1 calc R U . . .
H22H H 0.800717 1.050658 0.595536 0.173 Uiso 1 1 calc R U . . .
H22I H 0.750154 1.014351 0.627839 0.173 Uiso 1 1 calc R U . . .
C225 C 0.5575(4) 0.8043(3) 0.66009(17) 0.0809(17) Uani 1 1 d . . . . .
C226 C 0.4958(4) 0.7358(4) 0.66408(17) 0.0836(17) Uani 1 1 d . . . . .
C227 C 0.4852(4) 0.6626(3) 0.63732(16) 0.0778(16) Uani 1 1 d . . . . .
C228 C 0.4461(4) 0.7387(3) 0.69406(18) 0.0821(17) Uani 1 1 d . . . . .
C229 C 0.4660(4) 0.8099(4) 0.72332(19) 0.0891(19) Uani 1 1 d . . . . .
H229 H 0.435055 0.811692 0.744884 0.107 Uiso 1 1 calc R U . . .
C230 C 0.5279(5) 0.8752(4) 0.7213(2) 0.0924(19) Uani 1 1 d . . . . .
C231 C 0.5719(4) 0.8721(3) 0.68900(19) 0.0895(19) Uani 1 1 d . . . . .
H231 H 0.613273 0.918040 0.686706 0.107 Uiso 1 1 calc R U . . .
C232 C 0.5546(4) 0.9509(4) 0.75304(19) 0.0885(18) Uani 1 1 d . . . . .
C233 C 0.4988(4) 0.9473(3) 0.78590(18) 0.098(2) Uani 1 1 d . . . . .
H23A H 0.441289 0.934943 0.773030 0.146 Uiso 1 1 calc R U . . .
H23B H 0.520987 0.996576 0.806797 0.146 Uiso 1 1 calc R U . . .
H23C H 0.498782 0.908066 0.798752 0.146 Uiso 1 1 calc R U . . .
C234 C 0.5471(5) 1.0109(4) 0.7325(2) 0.120(3) Uani 1 1 d . . . . .
H23D H 0.587435 1.020507 0.713972 0.180 Uiso 1 1 calc R U . . .
H23E H 0.559285 1.058163 0.753740 0.180 Uiso 1 1 calc R U . . .
H23F H 0.489990 0.991638 0.716925 0.180 Uiso 1 1 calc R U . . .
C235 C 0.6454(5) 0.9775(4) 0.7758(2) 0.122(2) Uani 1 1 d . . . . .
H23G H 0.647617 0.941417 0.790610 0.182 Uiso 1 1 calc R U . . .
H23H H 0.663042 1.027796 0.795302 0.182 Uiso 1 1 calc R U . . .
H23I H 0.683040 0.980199 0.755914 0.182 Uiso 1 1 calc R U . . .
C236 C 0.3748(4) 0.6696(3) 0.69449(17) 0.0778(17) Uani 1 1 d . . . . .
C237 C 0.3659(4) 0.5995(3) 0.66809(17) 0.0776(16) Uani 1 1 d . . . . .
C238 C 0.4236(4) 0.5958(3) 0.64188(16) 0.0749(16) Uani 1 1 d . . . . .
C239 C 0.4179(4) 0.5248(3) 0.61808(15) 0.0749(16) Uani 1 1 d . . . . .
C240 C 0.4723(4) 0.5222(3) 0.59010(16) 0.0755(16) Uani 1 1 d . . . . .
C241 C 0.3491(4) 0.3856(3) 0.59751(15) 0.0742(16) Uani 1 1 d . . . . .
C242 C 0.3514(4) 0.4551(3) 0.61987(15) 0.0774(17) Uani 1 1 d . . . . .
C243 C 0.2873(4) 0.4586(3) 0.64244(15) 0.0748(16) Uani 1 1 d . . . . .
C244 C 0.2197(4) 0.3920(3) 0.63985(16) 0.0801(17) Uani 1 1 d . . . . .
H244 H 0.178266 0.393583 0.655921 0.096 Uiso 1 1 calc R U . . .
C245 C 0.2104(4) 0.3226(3) 0.61449(15) 0.0701(15) Uani 1 1 d . . . . .
C246 C 0.2747(4) 0.3203(3) 0.59433(15) 0.0785(17) Uani 1 1 d . . . . .
H246 H 0.269079 0.272772 0.577434 0.094 Uiso 1 1 calc R U . . .
C247 C 0.1285(4) 0.2531(3) 0.61040(16) 0.0825(17) Uani 1 1 d . . . . .
C248 C 0.0535(4) 0.2659(3) 0.59182(16) 0.0879(18) Uani 1 1 d . . . . .
H24A H 0.050899 0.310846 0.609925 0.132 Uiso 1 1 calc R U . . .
H24B H 0.001190 0.221407 0.588935 0.132 Uiso 1 1 calc R U . . .
H24C H 0.060966 0.273664 0.564815 0.132 Uiso 1 1 calc R U . . .
C249 C 0.1151(4) 0.2412(3) 0.65272(15) 0.0847(17) Uani 1 1 d . . . . .
H24D H 0.163975 0.236421 0.665786 0.127 Uiso 1 1 calc R U . . .
H24E H 0.064579 0.194772 0.649368 0.127 Uiso 1 1 calc R U . . .
H24F H 0.108379 0.284666 0.669943 0.127 Uiso 1 1 calc R U . . .
C250 C 0.1274(4) 0.1791(3) 0.58338(16) 0.0865(18) Uani 1 1 d . . . . .
H25A H 0.131921 0.182940 0.555486 0.130 Uiso 1 1 calc R U . . .
H25B H 0.074689 0.136554 0.582690 0.130 Uiso 1 1 calc R U . . .
H25C H 0.174939 0.170509 0.594734 0.130 Uiso 1 1 calc R U . . .
C251 C 0.2978(4) 0.5340(3) 0.66822(16) 0.0785(17) Uani 1 1 d . . . . .
C252 C 0.2361(4) 0.5385(3) 0.69043(16) 0.0815(17) Uani 1 1 d . . . . .
H252 H 0.189228 0.493131 0.689239 0.098 Uiso 1 1 calc R U . . .
C253 C 0.2407(5) 0.6082(4) 0.71466(17) 0.0859(18) Uani 1 1 d . . . . .
C254 C 0.3146(4) 0.6732(4) 0.71773(16) 0.0827(18) Uani 1 1 d . . . . .
H254 H 0.323070 0.720423 0.736151 0.099 Uiso 1 1 calc R U . . .
C255 C 0.1687(5) 0.6145(4) 0.73482(19) 0.0932(19) Uani 1 1 d . . . . .
C256 C 0.1042(5) 0.6188(4) 0.7026(2) 0.120(2) Uani 1 1 d . . . . .
H25D H 0.129962 0.665859 0.694965 0.180 Uiso 1 1 calc R U . . .
H25E H 0.054691 0.618001 0.714394 0.180 Uiso 1 1 calc R U . . .
H25F H 0.087142 0.575182 0.678258 0.180 Uiso 1 1 calc R U . . .
C257 C 0.1956(4) 0.6840(4) 0.77169(19) 0.106(2) Uani 1 1 d . . . . .
H25G H 0.236499 0.682488 0.792395 0.159 Uiso 1 1 calc R U . . .
H25H H 0.146339 0.684239 0.783368 0.159 Uiso 1 1 calc R U . . .
H25I H 0.221257 0.730007 0.763039 0.159 Uiso 1 1 calc R U . . .
C258 C 0.1226(4) 0.5457(4) 0.74995(18) 0.102(2) Uani 1 1 d . . . . .
H25J H 0.094119 0.500499 0.726393 0.153 Uiso 1 1 calc R U . . .
H25K H 0.080938 0.554749 0.765421 0.153 Uiso 1 1 calc R U . . .
H25L H 0.163151 0.537751 0.767729 0.153 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 0.0030 0.0019 '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'
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
C3 C1 C2 110.6(5) . . ?
C3 C1 C5 113.9(5) . . ?
C2 C1 C5 108.5(5) . . ?
C3 C1 C4 105.7(5) . . ?
C2 C1 C4 108.0(5) . . ?
C5 C1 C4 110.0(5) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C10 115.8(6) . . ?
C6 C5 C1 120.0(6) . . ?
C10 C5 C1 124.1(6) . . ?
C7 C6 C5 125.5(6) . . ?
C7 C6 H6 117.2 . . ?
C5 C6 H6 117.2 . . ?
C6 C7 C8 117.0(6) . . ?
C6 C7 C11 122.9(6) . . ?
C8 C7 C11 120.1(6) . . ?
C9 C8 C7 120.4(6) . . ?
C9 C8 C44 121.2(6) . . ?
C7 C8 C44 118.4(6) . . ?
C10 C9 C8 117.6(6) . . ?
C10 C9 C48 123.6(6) . . ?
C8 C9 C48 118.7(6) . . ?
C5 C10 C9 122.9(6) . . ?
C5 C10 H10 118.5 . . ?
C9 C10 H10 118.5 . . ?
C12 C11 C16 119.2(7) . . ?
C12 C11 C7 121.6(6) . . ?
C16 C11 C7 119.2(6) . . ?
C11 C12 C13 124.0(7) . . ?
C11 C12 H12 118.0 . . ?
C13 C12 H12 118.0 . . ?
C14 C13 C12 115.2(7) . . ?
C14 C13 C17 120.2(8) . . ?
C12 C13 C17 124.1(7) . . ?
C15 C14 C13 125.3(7) . . ?
C15 C14 H14 117.3 . . ?
C13 C14 H14 117.3 . . ?
C14 C15 C16 117.6(6) . . ?
C14 C15 C21 124.1(7) . . ?
C16 C15 C21 117.9(6) . . ?
C43 C16 C11 120.0(7) . . ?
C43 C16 C15 121.2(6) . . ?
C11 C16 C15 118.5(6) . . ?
C19 C17 C18 111.0(7) . . ?
C19 C17 C20 106.5(6) . . ?
C18 C17 C20 106.9(7) . . ?
C19 C17 C13 111.9(7) . . ?
C18 C17 C13 107.7(5) . . ?
C20 C17 C13 112.8(7) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 118.8(6) . . ?
C22 C21 C15 121.8(6) . . ?
C26 C21 C15 119.5(6) . . ?
C23 C22 C21 123.9(7) . . ?
C23 C22 H22 118.0 . . ?
C21 C22 H22 118.0 . . ?
C22 C23 C24 117.5(7) . . ?
C22 C23 C27 123.2(6) . . ?
C24 C23 C27 119.2(7) . . ?
C25 C24 C23 122.0(7) . . ?
C25 C24 H24 119.0 . . ?
C23 C24 H24 119.0 . . ?
C24 C25 C26 119.1(6) . . ?
C24 C25 C34 121.7(6) . . ?
C26 C25 C34 119.0(6) . . ?
C21 C26 C31 120.8(6) . . ?
C21 C26 C25 118.5(7) . . ?
C31 C26 C25 120.7(6) . . ?
C28 C27 C23 113.5(7) . . ?
C28 C27 C30 107.3(6) . . ?
C23 C27 C30 108.3(7) . . ?
C28 C27 C29 107.5(8) . . ?
C23 C27 C29 109.7(6) . . ?
C30 C27 C29 110.4(8) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C43 118.6(6) . . ?
C32 C31 C26 120.8(6) . . ?
C43 C31 C26 120.6(6) . . ?
C31 C32 C46 120.7(6) . . ?
C31 C32 C33 119.4(6) . . ?
C46 C32 C33 119.8(6) . . ?
C38 C33 C34 120.9(6) . . ?
C38 C33 C32 119.7(6) . . ?
C34 C33 C32 119.3(6) . . ?
C35 C34 C33 118.0(6) . . ?
C35 C34 C25 121.3(7) . . ?
C33 C34 C25 120.6(6) . . ?
C34 C35 C36 123.1(7) . . ?
C34 C35 H35 118.5 . . ?
C36 C35 H35 118.5 . . ?
C37 C36 C35 116.4(6) . . ?
C37 C36 C39 123.5(6) . . ?
C35 C36 C39 120.1(7) . . ?
C36 C37 C38 124.3(6) . . ?
C36 C37 H37 117.9 . . ?
C38 C37 H37 117.9 . . ?
C37 C38 C33 117.1(7) . . ?
C37 C38 C55 122.2(6) . . ?
C33 C38 C55 120.4(6) . . ?
C36 C39 C42 112.4(6) . . ?
C36 C39 C40 110.6(6) . . ?
C42 C39 C40 109.6(5) . . ?
C36 C39 C41 111.5(5) . . ?
C42 C39 C41 103.2(6) . . ?
C40 C39 C41 109.3(6) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C31 121.4(6) . . ?
C44 C43 C16 119.4(6) . . ?
C31 C43 C16 119.2(7) . . ?
C43 C44 C45 120.2(6) . . ?
C43 C44 C8 122.1(6) . . ?
C45 C44 C8 117.6(6) . . ?
C46 C45 C44 119.5(6) . . ?
C46 C45 C47 119.4(6) . . ?
C44 C45 C47 120.9(6) . . ?
C45 C46 C32 119.5(6) . . ?
C45 C46 C54 122.8(7) . . ?
C32 C46 C54 117.5(6) . . ?
C48 C47 C52 120.3(6) . . ?
C48 C47 C45 120.5(5) . . ?
C52 C47 C45 118.9(6) . . ?
C47 C48 C49 120.2(6) . . ?
C47 C48 C9 118.0(6) . . ?
C49 C48 C9 121.7(5) . . ?
C48 C49 C50 117.4(6) . . ?
C48 C49 C114 126.2(5) . . ?
C50 C49 C114 116.3(6) . . ?
C51 C50 C49 119.2(6) . . ?
C51 C50 C70 121.2(6) . . ?
C49 C50 C70 119.7(6) . . ?
C52 C51 C50 121.8(6) . . ?
C52 C51 C64 119.8(6) . . ?
C50 C51 C64 118.3(6) . . ?
C51 C52 C47 117.9(6) . . ?
C51 C52 C53 121.2(6) . . ?
C47 C52 C53 120.9(6) . . ?
C58 C53 C52 120.1(7) . . ?
C58 C53 C54 119.5(6) . . ?
C52 C53 C54 120.2(6) . . ?
C55 C54 C53 119.2(6) . . ?
C55 C54 C46 123.0(7) . . ?
C53 C54 C46 117.8(6) . . ?
C54 C55 C56 118.1(7) . . ?
C54 C55 C38 119.2(6) . . ?
C56 C55 C38 121.7(6) . . ?
C57 C56 C55 124.3(7) . . ?
C57 C56 H56 117.9 . . ?
C55 C56 H56 117.9 . . ?
C56 C57 C58 118.8(7) . . ?
C56 C57 C65 114.2(6) . . ?
C58 C57 C65 126.0(7) . . ?
C57 C58 C53 117.8(7) . . ?
C57 C58 C59 126.2(6) . . ?
C53 C58 C59 115.9(6) . . ?
C64 C59 C60 115.8(6) . . ?
C64 C59 C58 121.1(5) . . ?
C60 C59 C58 123.1(6) . . ?
C61 C60 C59 121.1(6) . . ?
C61 C60 H60 119.4 . . ?
C59 C60 H60 119.4 . . ?
C60 C61 C62 125.8(6) . . ?
C60 C61 H61 117.1 . . ?
C62 C61 H61 117.1 . . ?
C61 C62 C86 126.0(6) . . ?
C61 C62 C63 114.6(7) . . ?
C86 C62 C63 119.4(6) . . ?
C69 C63 C64 121.0(6) . . ?
C69 C63 C62 119.2(7) . . ?
C64 C63 C62 119.8(6) . . ?
C59 C64 C63 121.9(6) . . ?
C59 C64 C51 118.3(7) . . ?
C63 C64 C51 119.8(6) . . ?
C66 C65 C67 105.4(5) . . ?
C66 C65 C68 112.0(6) . . ?
C67 C65 C68 103.9(6) . . ?
C66 C65 C57 113.1(6) . . ?
C67 C65 C57 108.9(5) . . ?
C68 C65 C57 112.8(6) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C65 C68 H68A 109.5 . . ?
C65 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C65 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C63 C69 C74 121.3(6) . . ?
C63 C69 C70 118.6(7) . . ?
C74 C69 C70 120.1(6) . . ?
C71 C70 C50 121.1(6) . . ?
C71 C70 C69 118.5(7) . . ?
C50 C70 C69 120.4(6) . . ?
C70 C71 C72 122.6(6) . . ?
C70 C71 C113 117.4(6) . . ?
C72 C71 C113 119.9(6) . . ?
C71 C72 C95 122.8(5) . . ?
C71 C72 C73 117.8(6) . . ?
C95 C72 C73 119.2(7) . . ?
C74 C73 C78 120.5(6) . . ?
C74 C73 C72 120.9(7) . . ?
C78 C73 C72 118.6(6) . . ?
C73 C74 C69 120.1(6) . . ?
C73 C74 C75 121.0(7) . . ?
C69 C74 C75 118.8(6) . . ?
C76 C75 C86 119.9(6) . . ?
C76 C75 C74 118.9(7) . . ?
C86 C75 C74 121.2(7) . . ?
C75 C76 C83 118.9(7) . . ?
C75 C76 C77 121.5(6) . . ?
C83 C76 C77 119.6(7) . . ?
C82 C77 C78 118.4(7) . . ?
C82 C77 C76 124.0(7) . . ?
C78 C77 C76 117.6(7) . . ?
C79 C78 C73 120.7(6) . . ?
C79 C78 C77 119.0(7) . . ?
C73 C78 C77 120.3(7) . . ?
C80 C79 C78 118.4(6) . . ?
C80 C79 C96 121.3(7) . . ?
C78 C79 C96 120.2(6) . . ?
C79 C80 C81 124.6(7) . . ?
C79 C80 H80 117.7 . . ?
C81 C80 H80 117.7 . . ?
C82 C81 C80 114.8(8) . . ?
C82 C81 C91 123.3(7) . . ?
C80 C81 C91 121.8(7) . . ?
C77 C82 C81 124.8(7) . . ?
C77 C82 H82 117.6 . . ?
C81 C82 H82 117.6 . . ?
C76 C83 C84 121.6(7) . . ?
C76 C83 H83 119.2 . . ?
C84 C83 H83 119.2 . . ?
C85 C84 C83 118.7(6) . . ?
C85 C84 C87 122.2(7) . . ?
C83 C84 C87 119.0(7) . . ?
C84 C85 C86 120.4(7) . . ?
C84 C85 H85 119.8 . . ?
C86 C85 H85 119.8 . . ?
C75 C86 C85 120.5(7) . . ?
C75 C86 C62 120.1(6) . . ?
C85 C86 C62 119.4(7) . . ?
C89 C87 C88 110.1(7) . . ?
C89 C87 C84 108.9(5) . . ?
C88 C87 C84 111.6(6) . . ?
C89 C87 C90 106.7(6) . . ?
C88 C87 C90 109.2(5) . . ?
C84 C87 C90 110.3(6) . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C87 C89 H89A 109.5 . . ?
C87 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C87 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C87 C90 H90A 109.5 . . ?
C87 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C87 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C94 C91 C93 110.8(8) . . ?
C94 C91 C81 114.0(8) . . ?
C93 C91 C81 110.2(7) . . ?
C94 C91 C92 103.6(8) . . ?
C93 C91 C92 108.6(9) . . ?
C81 C91 C92 109.2(8) . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C91 C93 H93A 109.5 . . ?
C91 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C91 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C91 C94 H94A 109.5 . . ?
C91 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C91 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C96 C95 C72 122.3(6) . . ?
C96 C95 C100 120.6(6) . . ?
C72 C95 C100 117.2(6) . . ?
C95 C96 C97 118.4(6) . . ?
C95 C96 C79 118.8(6) . . ?
C97 C96 C79 122.8(6) . . ?
C98 C97 C96 121.2(6) . . ?
C98 C97 H97 119.4 . . ?
C96 C97 H97 119.4 . . ?
C97 C98 C99 121.8(6) . . ?
C97 C98 H98 119.1 . . ?
C99 C98 H98 119.1 . . ?
C98 C99 C100 118.6(6) . . ?
C98 C99 C104 123.0(6) . . ?
C100 C99 C104 118.3(6) . . ?
C99 C100 C101 121.6(5) . . ?
C99 C100 C95 118.3(6) . . ?
C101 C100 C95 120.1(6) . . ?
C102 C101 C100 118.2(6) . . ?
C102 C101 C113 119.8(6) . . ?
C100 C101 C113 121.9(5) . . ?
C116 C102 C101 119.1(5) . . ?
C116 C102 C103 120.1(5) . . ?
C101 C102 C103 120.8(6) . . ?
C108 C103 C104 121.0(5) . . ?
C108 C103 C102 119.3(6) . . ?
C104 C103 C102 119.6(5) . . ?
C103 C104 C105 118.4(5) . . ?
C103 C104 C99 117.5(5) . . ?
C105 C104 C99 124.1(6) . . ?
C106 C105 C104 115.5(6) . . ?
C106 C105 C109 116.0(6) . . ?
C104 C105 C109 128.0(5) . . ?
C105 C106 C107 125.6(6) . . ?
C105 C106 H106 117.2 . . ?
C107 C106 H106 117.2 . . ?
C106 C107 C108 117.7(5) . . ?
C106 C107 C121 122.0(5) . . ?
C108 C107 C121 120.0(5) . . ?
C103 C108 C107 119.1(5) . . ?
C103 C108 C118 120.5(5) . . ?
C107 C108 C118 120.4(5) . . ?
C112 C109 C111 112.6(6) . . ?
C112 C109 C105 112.4(6) . . ?
C111 C109 C105 112.6(6) . . ?
C112 C109 C110 104.1(6) . . ?
C111 C109 C110 106.8(6) . . ?
C105 C109 C110 107.7(5) . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C109 C111 H11D 109.5 . . ?
C109 C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
C109 C111 H11F 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C109 C112 H11G 109.5 . . ?
C109 C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
C109 C112 H11I 109.5 . . ?
H11G C112 H11I 109.5 . . ?
H11H C112 H11I 109.5 . . ?
C114 C113 C101 121.1(5) . . ?
C114 C113 C71 121.3(6) . . ?
C101 C113 C71 117.6(6) . . ?
C113 C114 C115 117.5(5) . . ?
C113 C114 C49 118.0(5) . . ?
C115 C114 C49 124.5(6) . . ?
C116 C115 C114 118.2(5) . . ?
C116 C115 C157 118.3(5) . . ?
C114 C115 C157 123.5(5) . . ?
C102 C116 C117 122.0(5) . . ?
C102 C116 C115 120.5(5) . . ?
C117 C116 C115 117.5(5) . . ?
C156 C117 C116 123.7(5) . . ?
C156 C117 C118 119.4(5) . . ?
C116 C117 C118 116.8(5) . . ?
C119 C118 C108 119.4(5) . . ?
C119 C118 C117 119.6(5) . . ?
C108 C118 C117 121.0(5) . . ?
C118 C119 C142 119.5(5) . . ?
C118 C119 C120 119.8(5) . . ?
C142 C119 C120 120.7(5) . . ?
C121 C120 C125 119.0(5) . . ?
C121 C120 C119 120.9(5) . . ?
C125 C120 C119 120.1(5) . . ?
C122 C121 C120 117.8(5) . . ?
C122 C121 C107 123.2(6) . . ?
C120 C121 C107 118.9(5) . . ?
C121 C122 C123 124.1(6) . . ?
C121 C122 H122 118.0 . . ?
C123 C122 H122 118.0 . . ?
C122 C123 C124 116.9(5) . . ?
C122 C123 C126 116.7(6) . . ?
C124 C123 C126 125.2(5) . . ?
C123 C124 C125 118.5(5) . . ?
C123 C124 C130 125.8(5) . . ?
C125 C124 C130 115.7(5) . . ?
C124 C125 C137 121.2(5) . . ?
C124 C125 C120 119.9(5) . . ?
C137 C125 C120 118.8(5) . . ?
C127 C126 C128 106.5(5) . . ?
C127 C126 C129 104.0(5) . . ?
C128 C126 C129 112.0(5) . . ?
C127 C126 C123 109.5(5) . . ?
C128 C126 C123 114.7(5) . . ?
C129 C126 C123 109.5(5) . . ?
C126 C127 H12A 109.5 . . ?
C126 C127 H12B 109.5 . . ?
H12A C127 H12B 109.5 . . ?
C126 C127 H12C 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C126 C128 H12D 109.5 . . ?
C126 C128 H12E 109.5 . . ?
H12D C128 H12E 109.5 . . ?
C126 C128 H12F 109.5 . . ?
H12D C128 H12F 109.5 . . ?
H12E C128 H12F 109.5 . . ?
C126 C129 H12G 109.5 . . ?
C126 C129 H12H 109.5 . . ?
H12G C129 H12H 109.5 . . ?
C126 C129 H12I 109.5 . . ?
H12G C129 H12I 109.5 . . ?
H12H C129 H12I 109.5 . . ?
C131 C130 C135 117.0(5) . . ?
C131 C130 C124 124.1(5) . . ?
C135 C130 C124 118.8(5) . . ?
C132 C131 C130 121.5(5) . . ?
C132 C131 H131 119.2 . . ?
C130 C131 H131 119.2 . . ?
C131 C132 C133 122.8(5) . . ?
C131 C132 H132 118.6 . . ?
C133 C132 H132 118.6 . . ?
C132 C133 C134 116.5(5) . . ?
C132 C133 C169 124.0(5) . . ?
C134 C133 C169 119.5(5) . . ?
C133 C134 C166 120.8(5) . . ?
C133 C134 C135 120.8(5) . . ?
C166 C134 C135 118.4(5) . . ?
C130 C135 C136 120.3(5) . . ?
C130 C135 C134 119.8(5) . . ?
C136 C135 C134 119.9(5) . . ?
C135 C136 C137 119.0(5) . . ?
C135 C136 C141 121.1(5) . . ?
C137 C136 C141 119.9(5) . . ?
C136 C137 C125 119.4(5) . . ?
C136 C137 C138 118.2(5) . . ?
C125 C137 C138 122.4(5) . . ?
C139 C138 C137 122.5(5) . . ?
C139 C138 C142 119.0(5) . . ?
C137 C138 C142 118.4(5) . . ?
C138 C139 C145 119.1(5) . . ?
C138 C139 C140 115.9(5) . . ?
C145 C139 C140 124.9(5) . . ?
C141 C140 C139 118.5(5) . . ?
C141 C140 C199 117.1(4) . . ?
C139 C140 C199 124.4(5) . . ?
C140 C141 C136 120.1(5) . . ?
C140 C141 C165 121.3(5) . . ?
C136 C141 C165 118.6(5) . . ?
C143 C142 C119 120.5(5) . . ?
C143 C142 C138 120.4(5) . . ?
C119 C142 C138 119.1(5) . . ?
C156 C143 C142 119.3(5) . . ?
C156 C143 C144 121.4(5) . . ?
C142 C143 C144 119.1(5) . . ?
C145 C144 C149 119.6(6) . . ?
C145 C144 C143 121.2(5) . . ?
C149 C144 C143 119.3(5) . . ?
C146 C145 C144 118.2(5) . . ?
C146 C145 C139 122.2(5) . . ?
C144 C145 C139 119.3(6) . . ?
C147 C146 C145 123.3(5) . . ?
C147 C146 H146 118.3 . . ?
C145 C146 H146 118.3 . . ?
C146 C147 C148 116.3(6) . . ?
C146 C147 C150 124.1(5) . . ?
C148 C147 C150 119.5(5) . . ?
C149 C148 C147 122.9(5) . . ?
C149 C148 H148 118.5 . . ?
C147 C148 H148 118.5 . . ?
C148 C149 C144 118.6(5) . . ?
C148 C149 C154 122.2(6) . . ?
C144 C149 C154 119.2(6) . . ?
C147 C150 C153 113.5(5) . . ?
C147 C150 C151 109.1(5) . . ?
C153 C150 C151 108.0(5) . . ?
C147 C150 C152 111.2(5) . . ?
C153 C150 C152 106.6(5) . . ?
C151 C150 C152 108.2(5) . . ?
C150 C151 H15A 109.5 . . ?
C150 C151 H15B 109.5 . . ?
H15A C151 H15B 109.5 . . ?
C150 C151 H15C 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C150 C152 H15D 109.5 . . ?
C150 C152 H15E 109.5 . . ?
H15D C152 H15E 109.5 . . ?
C150 C152 H15F 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C150 C153 H15G 109.5 . . ?
C150 C153 H15H 109.5 . . ?
H15G C153 H15H 109.5 . . ?
C150 C153 H15I 109.5 . . ?
H15G C153 H15I 109.5 . . ?
H15H C153 H15I 109.5 . . ?
C160 C154 C155 118.0(5) . . ?
C160 C154 C149 121.5(6) . . ?
C155 C154 C149 120.4(5) . . ?
C157 C155 C154 121.4(5) . . ?
C157 C155 C156 120.1(5) . . ?
C154 C155 C156 118.5(5) . . ?
C117 C156 C143 121.6(5) . . ?
C117 C156 C155 118.0(5) . . ?
C143 C156 C155 120.2(5) . . ?
C155 C157 C158 117.2(5) . . ?
C155 C157 C115 120.5(5) . . ?
C158 C157 C115 122.1(5) . . ?
C159 C158 C157 122.7(5) . . ?
C159 C158 H158 118.6 . . ?
C157 C158 H158 118.6 . . ?
C158 C159 C160 117.0(5) . . ?
C158 C159 C161 123.6(5) . . ?
C160 C159 C161 119.4(5) . . ?
C154 C160 C159 122.7(6) . . ?
C154 C160 H160 118.7 . . ?
C159 C160 H160 118.7 . . ?
C164 C161 C163 108.6(5) . . ?
C164 C161 C159 111.2(5) . . ?
C163 C161 C159 110.1(5) . . ?
C164 C161 C162 108.7(5) . . ?
C163 C161 C162 110.4(5) . . ?
C159 C161 C162 107.8(5) . . ?
C161 C162 H16A 109.5 . . ?
C161 C162 H16B 109.5 . . ?
H16A C162 H16B 109.5 . . ?
C161 C162 H16C 109.5 . . ?
H16A C162 H16C 109.5 . . ?
H16B C162 H16C 109.5 . . ?
C161 C163 H16D 109.5 . . ?
C161 C163 H16E 109.5 . . ?
H16D C163 H16E 109.5 . . ?
C161 C163 H16F 109.5 . . ?
H16D C163 H16F 109.5 . . ?
H16E C163 H16F 109.5 . . ?
C161 C164 H16G 109.5 . . ?
C161 C164 H16H 109.5 . . ?
H16G C164 H16H 109.5 . . ?
C161 C164 H16I 109.5 . . ?
H16G C164 H16I 109.5 . . ?
H16H C164 H16I 109.5 . . ?
C166 C165 C182 120.7(5) . . ?
C166 C165 C141 120.5(5) . . ?
C182 C165 C141 118.6(5) . . ?
C165 C166 C167 120.1(5) . . ?
C165 C166 C134 120.7(5) . . ?
C167 C166 C134 119.2(5) . . ?
C180 C167 C166 119.1(5) . . ?
C180 C167 C168 121.0(5) . . ?
C166 C167 C168 119.8(5) . . ?
C169 C168 C173 119.9(5) . . ?
C169 C168 C167 120.5(5) . . ?
C173 C168 C167 119.6(5) . . ?
C168 C169 C170 119.8(5) . . ?
C168 C169 C133 120.0(5) . . ?
C170 C169 C133 119.9(5) . . ?
C169 C170 C171 120.3(5) . . ?
C169 C170 H170 119.9 . . ?
C171 C170 H170 119.9 . . ?
C172 C171 C170 118.5(5) . . ?
C172 C171 C174 121.7(5) . . ?
C170 C171 C174 119.5(5) . . ?
C171 C172 C173 123.2(5) . . ?
C171 C172 H172 118.4 . . ?
C173 C172 H172 118.4 . . ?
C172 C173 C168 117.9(6) . . ?
C172 C173 C178 122.5(5) . . ?
C168 C173 C178 119.6(5) . . ?
C177 C174 C175 109.2(5) . . ?
C177 C174 C171 112.6(5) . . ?
C175 C174 C171 112.0(5) . . ?
C177 C174 C176 109.4(5) . . ?
C175 C174 C176 108.7(6) . . ?
C171 C174 C176 104.8(5) . . ?
C174 C175 H17A 109.5 . . ?
C174 C175 H17B 109.5 . . ?
H17A C175 H17B 109.5 . . ?
C174 C175 H17C 109.5 . . ?
H17A C175 H17C 109.5 . . ?
H17B C175 H17C 109.5 . . ?
C174 C176 H17D 109.5 . . ?
C174 C176 H17E 109.5 . . ?
H17D C176 H17E 109.5 . . ?
C174 C176 H17F 109.5 . . ?
H17D C176 H17F 109.5 . . ?
H17E C176 H17F 109.5 . . ?
C174 C177 H17G 109.5 . . ?
C174 C177 H17H 109.5 . . ?
H17G C177 H17H 109.5 . . ?
C174 C177 H17I 109.5 . . ?
H17G C177 H17I 109.5 . . ?
H17H C177 H17I 109.5 . . ?
C188 C178 C179 118.9(6) . . ?
C188 C178 C173 121.8(5) . . ?
C179 C178 C173 119.3(5) . . ?
C178 C179 C185 119.2(5) . . ?
C178 C179 C180 120.3(5) . . ?
C185 C179 C180 120.5(5) . . ?
C181 C180 C167 120.2(5) . . ?
C181 C180 C179 120.2(5) . . ?
C167 C180 C179 119.6(5) . . ?
C182 C181 C180 120.1(5) . . ?
C182 C181 C183 120.4(5) . . ?
C180 C181 C183 119.4(5) . . ?
C165 C182 C181 119.8(5) . . ?
C165 C182 C198 119.5(5) . . ?
C181 C182 C198 120.5(5) . . ?
C184 C183 C196 120.8(5) . . ?
C184 C183 C181 120.3(5) . . ?
C196 C183 C181 118.9(5) . . ?
C193 C184 C183 117.2(5) . . ?
C193 C184 C185 122.5(5) . . ?
C183 C184 C185 120.3(5) . . ?
C186 C185 C179 117.8(5) . . ?
C186 C185 C184 123.0(5) . . ?
C179 C185 C184 119.1(5) . . ?
C187 C186 C185 123.6(5) . . ?
C187 C186 H186 118.2 . . ?
C185 C186 H186 118.2 . . ?
C188 C187 C186 117.2(5) . . ?
C188 C187 C189 123.8(5) . . ?
C186 C187 C189 118.8(5) . . ?
C187 C188 C178 122.9(5) . . ?
C187 C188 H188 118.5 . . ?
C178 C188 H188 118.5 . . ?
C191 C189 C192 109.9(5) . . ?
C191 C189 C190 107.7(5) . . ?
C192 C189 C190 108.2(5) . . ?
C191 C189 C187 109.3(5) . . ?
C192 C189 C187 110.0(5) . . ?
C190 C189 C187 111.7(5) . . ?
C189 C190 H19D 109.5 . . ?
C189 C190 H19E 109.5 . . ?
H19D C190 H19E 109.5 . . ?
C189 C190 H19F 109.5 . . ?
H19D C190 H19F 109.5 . . ?
H19E C190 H19F 109.5 . . ?
C189 C191 H19G 109.5 . . ?
C189 C191 H19H 109.5 . . ?
H19G C191 H19H 109.5 . . ?
C189 C191 H19I 109.5 . . ?
H19G C191 H19I 109.5 . . ?
H19H C191 H19I 109.5 . . ?
C189 C192 H19J 109.5 . . ?
C189 C192 H19K 109.5 . . ?
H19J C192 H19K 109.5 . . ?
C189 C192 H19L 109.5 . . ?
H19J C192 H19L 109.5 . . ?
H19K C192 H19L 109.5 . . ?
C194 C193 C184 121.0(5) . . ?
C194 C193 H193 119.5 . . ?
C184 C193 H193 119.5 . . ?
C193 C194 C195 122.6(5) . . ?
C193 C194 H194 118.7 . . ?
C195 C194 H194 118.7 . . ?
C196 C195 C194 117.3(6) . . ?
C196 C195 C204 119.6(5) . . ?
C194 C195 C204 123.1(6) . . ?
C195 C196 C197 120.3(5) . . ?
C195 C196 C183 120.4(5) . . ?
C197 C196 C183 119.2(5) . . ?
C196 C197 C198 122.1(5) . . ?
C196 C197 C202 119.2(5) . . ?
C198 C197 C202 118.6(5) . . ?
C199 C198 C197 120.7(5) . . ?
C199 C198 C182 121.2(5) . . ?
C197 C198 C182 118.1(5) . . ?
C198 C199 C200 118.9(5) . . ?
C198 C199 C140 117.4(5) . . ?
C200 C199 C140 123.7(5) . . ?
C201 C200 C199 118.7(5) . . ?
C201 C200 C241 117.0(5) . . ?
C199 C200 C241 124.3(5) . . ?
C200 C201 C202 119.5(5) . . ?
C200 C201 C240 120.7(5) . . ?
C202 C201 C240 119.7(5) . . ?
C203 C202 C201 121.9(5) . . ?
C203 C202 C197 118.6(5) . . ?
C201 C202 C197 119.6(5) . . ?
C204 C203 C202 121.2(6) . . ?
C204 C203 C212 120.8(6) . . ?
C202 C203 C212 117.8(5) . . ?
C203 C204 C205 118.3(6) . . ?
C203 C204 C195 117.4(6) . . ?
C205 C204 C195 124.2(6) . . ?
C210 C205 C204 115.9(7) . . ?
C210 C205 C206 115.4(6) . . ?
C204 C205 C206 128.0(6) . . ?
C207 C206 C205 113.1(5) . . ?
C207 C206 C208 109.1(5) . . ?
C205 C206 C208 115.1(5) . . ?
C207 C206 C209 107.6(5) . . ?
C205 C206 C209 108.3(5) . . ?
C208 C206 C209 102.9(5) . . ?
C206 C207 H20D 109.5 . . ?
C206 C207 H20E 109.5 . . ?
H20D C207 H20E 109.5 . . ?
C206 C207 H20F 109.5 . . ?
H20D C207 H20F 109.5 . . ?
H20E C207 H20F 109.5 . . ?
C206 C208 H20G 109.5 . . ?
C206 C208 H20H 109.5 . . ?
H20G C208 H20H 109.5 . . ?
C206 C208 H20I 109.5 . . ?
H20G C208 H20I 109.5 . . ?
H20H C208 H20I 109.5 . . ?
C206 C209 H20J 109.5 . . ?
C206 C209 H20K 109.5 . . ?
H20J C209 H20K 109.5 . . ?
C206 C209 H20L 109.5 . . ?
H20J C209 H20L 109.5 . . ?
H20K C209 H20L 109.5 . . ?
C205 C210 C211 124.6(6) . . ?
C205 C210 H210 117.7 . . ?
C211 C210 H210 117.7 . . ?
C210 C211 C212 117.7(6) . . ?
C210 C211 C216 122.1(6) . . ?
C212 C211 C216 119.2(6) . . ?
C211 C212 C203 118.7(6) . . ?
C211 C212 C213 120.8(6) . . ?
C203 C212 C213 120.5(6) . . ?
C240 C213 C214 120.0(5) . . ?
C240 C213 C212 120.6(5) . . ?
C214 C213 C212 119.3(6) . . ?
C213 C214 C227 119.0(5) . . ?
C213 C214 C215 121.1(5) . . ?
C227 C214 C215 119.9(5) . . ?
C220 C215 C216 121.5(6) . . ?
C220 C215 C214 120.5(6) . . ?
C216 C215 C214 117.9(6) . . ?
C217 C216 C215 117.2(6) . . ?
C217 C216 C211 121.7(6) . . ?
C215 C216 C211 120.7(6) . . ?
C218 C217 C216 122.8(6) . . ?
C218 C217 H217 118.6 . . ?
C216 C217 H217 118.6 . . ?
C219 C218 C217 117.6(6) . . ?
C219 C218 C221 121.5(6) . . ?
C217 C218 C221 120.6(6) . . ?
C218 C219 C220 123.3(6) . . ?
C218 C219 H219 118.3 . . ?
C220 C219 H219 118.3 . . ?
C219 C220 C215 117.6(6) . . ?
C219 C220 C225 122.3(6) . . ?
C215 C220 C225 119.9(6) . . ?
C218 C221 C223 111.5(6) . . ?
C218 C221 C222 108.5(5) . . ?
C223 C221 C222 109.8(6) . . ?
C218 C221 C224 111.3(6) . . ?
C223 C221 C224 107.9(5) . . ?
C222 C221 C224 107.8(6) . . ?
C221 C222 H22A 109.5 . . ?
C221 C222 H22B 109.5 . . ?
H22A C222 H22B 109.5 . . ?
C221 C222 H22C 109.5 . . ?
H22A C222 H22C 109.5 . . ?
H22B C222 H22C 109.5 . . ?
C221 C223 H22D 109.5 . . ?
C221 C223 H22E 109.5 . . ?
H22D C223 H22E 109.5 . . ?
C221 C223 H22F 109.5 . . ?
H22D C223 H22F 109.5 . . ?
H22E C223 H22F 109.5 . . ?
C221 C224 H22G 109.5 . . ?
C221 C224 H22H 109.5 . . ?
H22G C224 H22H 109.5 . . ?
C221 C224 H22I 109.5 . . ?
H22G C224 H22I 109.5 . . ?
H22H C224 H22I 109.5 . . ?
C231 C225 C226 118.2(6) . . ?
C231 C225 C220 122.5(6) . . ?
C226 C225 C220 119.2(6) . . ?
C228 C226 C225 119.9(6) . . ?
C228 C226 C227 120.1(6) . . ?
C225 C226 C227 120.1(5) . . ?
C238 C227 C214 121.3(5) . . ?
C238 C227 C226 118.9(5) . . ?
C214 C227 C226 119.8(6) . . ?
C226 C228 C229 118.5(6) . . ?
C226 C228 C236 119.9(6) . . ?
C229 C228 C236 121.6(6) . . ?
C230 C229 C228 122.0(6) . . ?
C230 C229 H229 119.0 . . ?
C228 C229 H229 119.0 . . ?
C229 C230 C231 118.6(6) . . ?
C229 C230 C232 123.7(6) . . ?
C231 C230 C232 117.7(6) . . ?
C225 C231 C230 122.5(6) . . ?
C225 C231 H231 118.8 . . ?
C230 C231 H231 118.8 . . ?
C230 C232 C233 112.5(6) . . ?
C230 C232 C235 110.2(6) . . ?
C233 C232 C235 106.8(5) . . ?
C230 C232 C234 110.3(5) . . ?
C233 C232 C234 106.2(5) . . ?
C235 C232 C234 110.7(6) . . ?
C232 C233 H23A 109.5 . . ?
C232 C233 H23B 109.5 . . ?
H23A C233 H23B 109.5 . . ?
C232 C233 H23C 109.5 . . ?
H23A C233 H23C 109.5 . . ?
H23B C233 H23C 109.5 . . ?
C232 C234 H23D 109.5 . . ?
C232 C234 H23E 109.5 . . ?
H23D C234 H23E 109.5 . . ?
C232 C234 H23F 109.5 . . ?
H23D C234 H23F 109.5 . . ?
H23E C234 H23F 109.5 . . ?
C232 C235 H23G 109.5 . . ?
C232 C235 H23H 109.5 . . ?
H23G C235 H23H 109.5 . . ?
C232 C235 H23I 109.5 . . ?
H23G C235 H23I 109.5 . . ?
H23H C235 H23I 109.5 . . ?
C254 C236 C237 120.8(6) . . ?
C254 C236 C228 121.0(6) . . ?
C237 C236 C228 118.0(6) . . ?
C251 C237 C238 120.6(6) . . ?
C251 C237 C236 118.0(6) . . ?
C238 C237 C236 121.3(6) . . ?
C227 C238 C237 120.6(5) . . ?
C227 C238 C239 118.7(5) . . ?
C237 C238 C239 120.7(6) . . ?
C240 C239 C238 119.9(5) . . ?
C240 C239 C242 119.9(5) . . ?
C238 C239 C242 120.0(5) . . ?
C213 C240 C239 120.9(5) . . ?
C213 C240 C201 119.5(5) . . ?
C239 C240 C201 119.2(5) . . ?
C242 C241 C246 116.2(6) . . ?
C242 C241 C200 120.8(6) . . ?
C246 C241 C200 122.9(5) . . ?
C241 C242 C243 121.3(6) . . ?
C241 C242 C239 119.0(5) . . ?
C243 C242 C239 119.6(5) . . ?
C244 C243 C242 118.5(6) . . ?
C244 C243 C251 123.4(6) . . ?
C242 C243 C251 118.1(6) . . ?
C243 C244 C245 122.1(6) . . ?
C243 C244 H244 119.0 . . ?
C245 C244 H244 119.0 . . ?
C246 C245 C244 118.1(6) . . ?
C246 C245 C247 124.0(5) . . ?
C244 C245 C247 117.9(6) . . ?
C245 C246 C241 123.3(5) . . ?
C245 C246 H246 118.4 . . ?
C241 C246 H246 118.4 . . ?
C245 C247 C250 113.1(5) . . ?
C245 C247 C249 110.5(5) . . ?
C250 C247 C249 106.7(4) . . ?
C245 C247 C248 109.4(4) . . ?
C250 C247 C248 108.7(5) . . ?
C249 C247 C248 108.3(5) . . ?
C247 C248 H24A 109.5 . . ?
C247 C248 H24B 109.5 . . ?
H24A C248 H24B 109.5 . . ?
C247 C248 H24C 109.5 . . ?
H24A C248 H24C 109.5 . . ?
H24B C248 H24C 109.5 . . ?
C247 C249 H24D 109.5 . . ?
C247 C249 H24E 109.5 . . ?
H24D C249 H24E 109.5 . . ?
C247 C249 H24F 109.5 . . ?
H24D C249 H24F 109.5 . . ?
H24E C249 H24F 109.5 . . ?
C247 C250 H25A 109.5 . . ?
C247 C250 H25B 109.5 . . ?
H25A C250 H25B 109.5 . . ?
C247 C250 H25C 109.5 . . ?
H25A C250 H25C 109.5 . . ?
H25B C250 H25C 109.5 . . ?
C252 C251 C237 120.6(6) . . ?
C252 C251 C243 118.9(6) . . ?
C237 C251 C243 120.4(6) . . ?
C251 C252 C253 122.0(6) . . ?
C251 C252 H252 119.0 . . ?
C253 C252 H252 119.0 . . ?
C252 C253 C254 116.6(6) . . ?
C252 C253 C255 122.1(6) . . ?
C254 C253 C255 121.2(6) . . ?
C236 C254 C253 121.4(6) . . ?
C236 C254 H254 119.3 . . ?
C253 C254 H254 119.3 . . ?
C253 C255 C257 113.7(6) . . ?
C253 C255 C258 112.4(5) . . ?
C257 C255 C258 106.3(5) . . ?
C253 C255 C256 108.5(5) . . ?
C257 C255 C256 108.1(5) . . ?
C258 C255 C256 107.6(6) . . ?
C255 C256 H25D 109.5 . . ?
C255 C256 H25E 109.5 . . ?
H25D C256 H25E 109.5 . . ?
C255 C256 H25F 109.5 . . ?
H25D C256 H25F 109.5 . . ?
H25E C256 H25F 109.5 . . ?
C255 C257 H25G 109.5 . . ?
C255 C257 H25H 109.5 . . ?
H25G C257 H25H 109.5 . . ?
C255 C257 H25I 109.5 . . ?
H25G C257 H25I 109.5 . . ?
H25H C257 H25I 109.5 . . ?
C255 C258 H25J 109.5 . . ?
C255 C258 H25K 109.5 . . ?
H25J C258 H25K 109.5 . . ?
C255 C258 H25L 109.5 . . ?
H25J C258 H25L 109.5 . . ?
H25K C258 H25L 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C3 1.502(8) . ?
C1 C2 1.517(8) . ?
C1 C5 1.532(8) . ?
C1 C4 1.574(7) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.388(8) . ?
C5 C10 1.392(7) . ?
C6 C7 1.377(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.421(7) . ?
C7 C11 1.451(8) . ?
C8 C9 1.418(8) . ?
C8 C44 1.447(8) . ?
C9 C10 1.413(7) . ?
C9 C48 1.480(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.372(8) . ?
C11 C16 1.439(8) . ?
C12 C13 1.410(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(8) . ?
C13 C17 1.527(9) . ?
C14 C15 1.385(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.442(8) . ?
C15 C21 1.454(8) . ?
C16 C43 1.429(8) . ?
C17 C19 1.494(9) . ?
C17 C18 1.513(9) . ?
C17 C20 1.524(9) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.380(8) . ?
C21 C26 1.418(8) . ?
C22 C23 1.355(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.403(8) . ?
C23 C27 1.526(9) . ?
C24 C25 1.385(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.422(8) . ?
C25 C34 1.437(8) . ?
C26 C31 1.418(8) . ?
C27 C28 1.504(9) . ?
C27 C30 1.534(10) . ?
C27 C29 1.555(10) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.405(7) . ?
C31 C43 1.415(8) . ?
C32 C46 1.434(8) . ?
C32 C33 1.463(8) . ?
C33 C38 1.410(7) . ?
C33 C34 1.413(8) . ?
C34 C35 1.391(8) . ?
C35 C36 1.401(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.377(8) . ?
C36 C39 1.513(8) . ?
C37 C38 1.402(8) . ?
C37 H37 0.9500 . ?
C38 C55 1.438(8) . ?
C39 C42 1.522(8) . ?
C39 C40 1.527(9) . ?
C39 C41 1.555(8) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.394(8) . ?
C44 C45 1.419(7) . ?
C45 C46 1.406(7) . ?
C45 C47 1.451(8) . ?
C46 C54 1.444(7) . ?
C47 C48 1.386(7) . ?
C47 C52 1.435(7) . ?
C48 C49 1.420(8) . ?
C49 C50 1.426(7) . ?
C49 C114 1.457(7) . ?
C50 C51 1.408(8) . ?
C50 C70 1.430(8) . ?
C51 C52 1.383(8) . ?
C51 C64 1.469(7) . ?
C52 C53 1.439(8) . ?
C53 C58 1.438(8) . ?
C53 C54 1.439(8) . ?
C54 C55 1.386(8) . ?
C55 C56 1.399(8) . ?
C56 C57 1.347(8) . ?
C56 H56 0.9500 . ?
C57 C58 1.416(8) . ?
C57 C65 1.594(9) . ?
C58 C59 1.462(8) . ?
C59 C64 1.419(8) . ?
C59 C60 1.421(7) . ?
C60 C61 1.344(8) . ?
C60 H60 0.9500 . ?
C61 C62 1.399(8) . ?
C61 H61 0.9500 . ?
C62 C86 1.442(8) . ?
C62 C63 1.450(7) . ?
C63 C69 1.421(8) . ?
C63 C64 1.424(8) . ?
C65 C66 1.559(7) . ?
C65 C67 1.560(8) . ?
C65 C68 1.560(9) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C74 1.421(8) . ?
C69 C70 1.446(7) . ?
C70 C71 1.395(8) . ?
C71 C72 1.413(8) . ?
C71 C113 1.457(7) . ?
C72 C95 1.424(8) . ?
C72 C73 1.449(7) . ?
C73 C74 1.390(8) . ?
C73 C78 1.422(8) . ?
C74 C75 1.441(7) . ?
C75 C76 1.384(9) . ?
C75 C86 1.397(8) . ?
C76 C83 1.393(8) . ?
C76 C77 1.467(9) . ?
C77 C82 1.391(9) . ?
C77 C78 1.427(8) . ?
C78 C79 1.421(8) . ?
C79 C80 1.390(8) . ?
C79 C96 1.442(8) . ?
C80 C81 1.399(8) . ?
C80 H80 0.9500 . ?
C81 C82 1.391(9) . ?
C81 C91 1.513(10) . ?
C82 H82 0.9500 . ?
C83 C84 1.409(9) . ?
C83 H83 0.9500 . ?
C84 C85 1.368(9) . ?
C84 C87 1.539(8) . ?
C85 C86 1.400(8) . ?
C85 H85 0.9500 . ?
C87 C89 1.513(9) . ?
C87 C88 1.520(9) . ?
C87 C90 1.554(8) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 C94 1.481(9) . ?
C91 C93 1.496(11) . ?
C91 C92 1.604(12) . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 C96 1.386(8) . ?
C95 C100 1.460(7) . ?
C96 C97 1.400(8) . ?
C97 C98 1.381(7) . ?
C97 H97 0.9500 . ?
C98 C99 1.389(8) . ?
C98 H98 0.9500 . ?
C99 C100 1.411(8) . ?
C99 C104 1.469(7) . ?
C100 C101 1.416(8) . ?
C101 C102 1.408(7) . ?
C101 C113 1.435(7) . ?
C102 C116 1.402(7) . ?
C102 C103 1.437(7) . ?
C103 C108 1.399(7) . ?
C103 C104 1.416(7) . ?
C104 C105 1.452(8) . ?
C105 C106 1.369(7) . ?
C105 C109 1.570(8) . ?
C106 C107 1.392(7) . ?
C106 H106 0.9500 . ?
C107 C108 1.412(7) . ?
C107 C121 1.441(7) . ?
C108 C118 1.429(7) . ?
C109 C112 1.547(8) . ?
C109 C111 1.549(10) . ?
C109 C110 1.579(9) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C112 H11I 0.9800 . ?
C113 C114 1.378(7) . ?
C114 C115 1.450(6) . ?
C115 C116 1.433(7) . ?
C115 C157 1.463(7) . ?
C116 C117 1.432(7) . ?
C117 C156 1.386(7) . ?
C117 C118 1.440(7) . ?
C118 C119 1.410(6) . ?
C119 C142 1.418(7) . ?
C119 C120 1.436(7) . ?
C120 C121 1.395(7) . ?
C120 C125 1.430(6) . ?
C121 C122 1.388(7) . ?
C122 C123 1.393(6) . ?
C122 H122 0.9500 . ?
C123 C124 1.409(7) . ?
C123 C126 1.565(8) . ?
C124 C125 1.410(7) . ?
C124 C130 1.462(7) . ?
C125 C137 1.413(7) . ?
C126 C127 1.516(8) . ?
C126 C128 1.531(7) . ?
C126 C129 1.557(7) . ?
C127 H12A 0.9800 . ?
C127 H12B 0.9800 . ?
C127 H12C 0.9800 . ?
C128 H12D 0.9800 . ?
C128 H12E 0.9800 . ?
C128 H12F 0.9800 . ?
C129 H12G 0.9800 . ?
C129 H12H 0.9800 . ?
C129 H12I 0.9800 . ?
C130 C131 1.403(7) . ?
C130 C135 1.409(7) . ?
C131 C132 1.373(6) . ?
C131 H131 0.9500 . ?
C132 C133 1.398(7) . ?
C132 H132 0.9500 . ?
C133 C134 1.409(7) . ?
C133 C169 1.444(7) . ?
C134 C166 1.429(7) . ?
C134 C135 1.438(7) . ?
C135 C136 1.410(7) . ?
C136 C137 1.411(6) . ?
C136 C141 1.417(7) . ?
C137 C138 1.420(7) . ?
C138 C139 1.418(7) . ?
C138 C142 1.466(6) . ?
C139 C145 1.442(7) . ?
C139 C140 1.456(6) . ?
C140 C141 1.409(7) . ?
C140 C199 1.461(7) . ?
C141 C165 1.432(6) . ?
C142 C143 1.410(7) . ?
C143 C156 1.398(6) . ?
C143 C144 1.430(7) . ?
C144 C145 1.421(7) . ?
C144 C149 1.423(7) . ?
C145 C146 1.408(7) . ?
C146 C147 1.406(7) . ?
C146 H146 0.9500 . ?
C147 C148 1.411(7) . ?
C147 C150 1.482(8) . ?
C148 C149 1.408(8) . ?
C148 H148 0.9500 . ?
C149 C154 1.455(7) . ?
C150 C153 1.528(7) . ?
C150 C151 1.532(8) . ?
C150 C152 1.536(7) . ?
C151 H15A 0.9800 . ?
C151 H15B 0.9800 . ?
C151 H15C 0.9800 . ?
C152 H15D 0.9800 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C153 H15G 0.9800 . ?
C153 H15H 0.9800 . ?
C153 H15I 0.9800 . ?
C154 C160 1.387(7) . ?
C154 C155 1.416(7) . ?
C155 C157 1.391(6) . ?
C155 C156 1.456(7) . ?
C157 C158 1.419(7) . ?
C158 C159 1.394(7) . ?
C158 H158 0.9500 . ?
C159 C160 1.403(7) . ?
C159 C161 1.542(7) . ?
C160 H160 0.9500 . ?
C161 C164 1.520(7) . ?
C161 C163 1.526(8) . ?
C161 C162 1.543(7) . ?
C162 H16A 0.9800 . ?
C162 H16B 0.9800 . ?
C162 H16C 0.9800 . ?
C163 H16D 0.9800 . ?
C163 H16E 0.9800 . ?
C163 H16F 0.9800 . ?
C164 H16G 0.9800 . ?
C164 H16H 0.9800 . ?
C164 H16I 0.9800 . ?
C165 C166 1.402(7) . ?
C165 C182 1.406(7) . ?
C166 C167 1.424(7) . ?
C167 C180 1.417(7) . ?
C167 C168 1.439(7) . ?
C168 C169 1.394(7) . ?
C168 C173 1.416(7) . ?
C169 C170 1.407(7) . ?
C170 C171 1.408(7) . ?
C170 H170 0.9500 . ?
C171 C172 1.361(7) . ?
C171 C174 1.535(7) . ?
C172 C173 1.401(7) . ?
C172 H172 0.9500 . ?
C173 C178 1.477(7) . ?
C174 C177 1.504(7) . ?
C174 C175 1.517(7) . ?
C174 C176 1.577(9) . ?
C175 H17A 0.9800 . ?
C175 H17B 0.9800 . ?
C175 H17C 0.9800 . ?
C176 H17D 0.9800 . ?
C176 H17E 0.9800 . ?
C176 H17F 0.9800 . ?
C177 H17G 0.9800 . ?
C177 H17H 0.9800 . ?
C177 H17I 0.9800 . ?
C178 C188 1.392(7) . ?
C178 C179 1.413(7) . ?
C179 C185 1.421(7) . ?
C179 C180 1.446(7) . ?
C180 C181 1.416(7) . ?
C181 C182 1.407(6) . ?
C181 C183 1.445(7) . ?
C182 C198 1.434(7) . ?
C183 C184 1.423(7) . ?
C183 C196 1.428(7) . ?
C184 C193 1.403(7) . ?
C184 C185 1.443(7) . ?
C185 C186 1.394(7) . ?
C186 C187 1.380(7) . ?
C186 H186 0.9500 . ?
C187 C188 1.375(7) . ?
C187 C189 1.541(7) . ?
C188 H188 0.9500 . ?
C189 C191 1.525(8) . ?
C189 C192 1.536(7) . ?
C189 C190 1.539(7) . ?
C190 H19D 0.9800 . ?
C190 H19E 0.9800 . ?
C190 H19F 0.9800 . ?
C191 H19G 0.9800 . ?
C191 H19H 0.9800 . ?
C191 H19I 0.9800 . ?
C192 H19J 0.9800 . ?
C192 H19K 0.9800 . ?
C192 H19L 0.9800 . ?
C193 C194 1.381(7) . ?
C193 H193 0.9500 . ?
C194 C195 1.411(7) . ?
C194 H194 0.9500 . ?
C195 C196 1.394(7) . ?
C195 C204 1.446(7) . ?
C196 C197 1.410(7) . ?
C197 C198 1.423(7) . ?
C197 C202 1.442(7) . ?
C198 C199 1.396(7) . ?
C199 C200 1.433(7) . ?
C200 C201 1.424(7) . ?
C200 C241 1.451(7) . ?
C201 C202 1.428(7) . ?
C201 C240 1.436(7) . ?
C202 C203 1.419(7) . ?
C203 C204 1.388(7) . ?
C203 C212 1.436(7) . ?
C204 C205 1.438(8) . ?
C205 C210 1.376(7) . ?
C205 C206 1.557(9) . ?
C206 C207 1.544(7) . ?
C206 C208 1.560(8) . ?
C206 C209 1.562(8) . ?
C207 H20D 0.9800 . ?
C207 H20E 0.9800 . ?
C207 H20F 0.9800 . ?
C208 H20G 0.9800 . ?
C208 H20H 0.9800 . ?
C208 H20I 0.9800 . ?
C209 H20J 0.9800 . ?
C209 H20K 0.9800 . ?
C209 H20L 0.9800 . ?
C210 C211 1.388(8) . ?
C210 H210 0.9500 . ?
C211 C212 1.390(8) . ?
C211 C216 1.453(8) . ?
C212 C213 1.448(7) . ?
C213 C240 1.398(7) . ?
C213 C214 1.409(7) . ?
C214 C227 1.415(7) . ?
C214 C215 1.447(7) . ?
C215 C220 1.412(7) . ?
C215 C216 1.421(7) . ?
C216 C217 1.413(8) . ?
C217 C218 1.398(8) . ?
C217 H217 0.9500 . ?
C218 C219 1.383(8) . ?
C218 C221 1.526(8) . ?
C219 C220 1.406(7) . ?
C219 H219 0.9500 . ?
C220 C225 1.453(7) . ?
C221 C223 1.531(8) . ?
C221 C222 1.544(8) . ?
C221 C224 1.556(8) . ?
C222 H22A 0.9800 . ?
C222 H22B 0.9800 . ?
C222 H22C 0.9800 . ?
C223 H22D 0.9800 . ?
C223 H22E 0.9800 . ?
C223 H22F 0.9800 . ?
C224 H22G 0.9800 . ?
C224 H22H 0.9800 . ?
C224 H22I 0.9800 . ?
C225 C231 1.392(7) . ?
C225 C226 1.425(8) . ?
C226 C228 1.401(7) . ?
C226 C227 1.460(7) . ?
C227 C238 1.409(7) . ?
C228 C229 1.425(8) . ?
C228 C236 1.468(8) . ?
C229 C230 1.360(8) . ?
C229 H229 0.9500 . ?
C230 C231 1.398(8) . ?
C230 C232 1.510(8) . ?
C231 H231 0.9500 . ?
C232 C233 1.541(7) . ?
C232 C235 1.543(9) . ?
C232 C234 1.558(8) . ?
C233 H23A 0.9800 . ?
C233 H23B 0.9800 . ?
C233 H23C 0.9800 . ?
C234 H23D 0.9800 . ?
C234 H23E 0.9800 . ?
C234 H23F 0.9800 . ?
C235 H23G 0.9800 . ?
C235 H23H 0.9800 . ?
C235 H23I 0.9800 . ?
C236 C254 1.382(7) . ?
C236 C237 1.417(7) . ?
C237 C251 1.392(8) . ?
C237 C238 1.412(7) . ?
C238 C239 1.417(7) . ?
C239 C240 1.407(7) . ?
C239 C242 1.450(7) . ?
C241 C242 1.398(7) . ?
C241 C246 1.420(7) . ?
C242 C243 1.426(7) . ?
C243 C244 1.377(7) . ?
C243 C251 1.484(7) . ?
C244 C245 1.389(7) . ?
C244 H244 0.9500 . ?
C245 C246 1.376(7) . ?
C245 C247 1.533(8) . ?
C246 H246 0.9500 . ?
C247 C250 1.537(7) . ?
C247 C249 1.540(6) . ?
C247 C248 1.546(8) . ?
C248 H24A 0.9800 . ?
C248 H24B 0.9800 . ?
C248 H24C 0.9800 . ?
C249 H24D 0.9800 . ?
C249 H24E 0.9800 . ?
C249 H24F 0.9800 . ?
C250 H25A 0.9800 . ?
C250 H25B 0.9800 . ?
C250 H25C 0.9800 . ?
C251 C252 1.388(7) . ?
C252 C253 1.407(7) . ?
C252 H252 0.9500 . ?
C253 C254 1.413(8) . ?
C253 C255 1.517(8) . ?
C254 H254 0.9500 . ?
C255 C257 1.521(8) . ?
C255 C258 1.531(8) . ?
C255 C256 1.553(8) . ?
C256 H25D 0.9800 . ?
C256 H25E 0.9800 . ?
C256 H25F 0.9800 . ?
C257 H25G 0.9800 . ?
C257 H25H 0.9800 . ?
C257 H25I 0.9800 . ?
C258 H25J 0.9800 . ?
C258 H25K 0.9800 . ?
C258 H25L 0.9800 . ?
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
C3 C1 C5 C6 -167.6(5) . . . . ?
C2 C1 C5 C6 68.6(6) . . . . ?
C4 C1 C5 C6 -49.3(7) . . . . ?
C3 C1 C5 C10 15.1(8) . . . . ?
C2 C1 C5 C10 -108.6(6) . . . . ?
C4 C1 C5 C10 133.5(6) . . . . ?
C10 C5 C6 C7 6.0(8) . . . . ?
C1 C5 C6 C7 -171.5(5) . . . . ?
C5 C6 C7 C8 -3.8(8) . . . . ?
C5 C6 C7 C11 175.6(5) . . . . ?
C6 C7 C8 C9 -4.2(8) . . . . ?
C11 C7 C8 C9 176.3(5) . . . . ?
C6 C7 C8 C44 173.9(5) . . . . ?
C11 C7 C8 C44 -5.6(8) . . . . ?
C7 C8 C9 C10 9.3(7) . . . . ?
C44 C8 C9 C10 -168.7(5) . . . . ?
C7 C8 C9 C48 -173.1(5) . . . . ?
C44 C8 C9 C48 8.9(8) . . . . ?
C6 C5 C10 C9 -0.1(8) . . . . ?
C1 C5 C10 C9 177.2(5) . . . . ?
C8 C9 C10 C5 -7.2(8) . . . . ?
C48 C9 C10 C5 175.4(5) . . . . ?
C6 C7 C11 C12 -2.1(9) . . . . ?
C8 C7 C11 C12 177.3(5) . . . . ?
C6 C7 C11 C16 179.7(5) . . . . ?
C8 C7 C11 C16 -0.8(8) . . . . ?
C16 C11 C12 C13 -0.6(9) . . . . ?
C7 C11 C12 C13 -178.7(6) . . . . ?
C11 C12 C13 C14 -1.6(9) . . . . ?
C11 C12 C13 C17 169.7(6) . . . . ?
C12 C13 C14 C15 0.8(9) . . . . ?
C17 C13 C14 C15 -171.0(6) . . . . ?
C13 C14 C15 C16 2.3(9) . . . . ?
C13 C14 C15 C21 175.8(6) . . . . ?
C12 C11 C16 C43 -169.8(5) . . . . ?
C7 C11 C16 C43 8.3(8) . . . . ?
C12 C11 C16 C15 3.7(8) . . . . ?
C7 C11 C16 C15 -178.2(5) . . . . ?
C14 C15 C16 C43 169.0(5) . . . . ?
C21 C15 C16 C43 -4.9(8) . . . . ?
C14 C15 C16 C11 -4.4(8) . . . . ?
C21 C15 C16 C11 -178.3(5) . . . . ?
C14 C13 C17 C19 -157.7(7) . . . . ?
C12 C13 C17 C19 31.4(10) . . . . ?
C14 C13 C17 C18 80.1(9) . . . . ?
C12 C13 C17 C18 -90.9(9) . . . . ?
C14 C13 C17 C20 -37.7(9) . . . . ?
C12 C13 C17 C20 151.4(6) . . . . ?
C14 C15 C21 C22 16.2(10) . . . . ?
C16 C15 C21 C22 -170.3(6) . . . . ?
C14 C15 C21 C26 -163.2(6) . . . . ?
C16 C15 C21 C26 10.3(9) . . . . ?
C26 C21 C22 C23 2.7(10) . . . . ?
C15 C21 C22 C23 -176.7(6) . . . . ?
C21 C22 C23 C24 1.0(10) . . . . ?
C21 C22 C23 C27 -176.6(6) . . . . ?
C22 C23 C24 C25 -1.6(10) . . . . ?
C27 C23 C24 C25 176.0(6) . . . . ?
C23 C24 C25 C26 -1.4(9) . . . . ?
C23 C24 C25 C34 -176.9(6) . . . . ?
C22 C21 C26 C31 172.0(6) . . . . ?
C15 C21 C26 C31 -8.6(9) . . . . ?
C22 C21 C26 C25 -5.6(9) . . . . ?
C15 C21 C26 C25 173.8(5) . . . . ?
C24 C25 C26 C21 5.0(9) . . . . ?
C34 C25 C26 C21 -179.4(5) . . . . ?
C24 C25 C26 C31 -172.6(6) . . . . ?
C34 C25 C26 C31 3.0(9) . . . . ?
C22 C23 C27 C28 -18.0(10) . . . . ?
C24 C23 C27 C28 164.5(6) . . . . ?
C22 C23 C27 C30 101.1(8) . . . . ?
C24 C23 C27 C30 -76.4(8) . . . . ?
C22 C23 C27 C29 -138.3(8) . . . . ?
C24 C23 C27 C29 44.2(10) . . . . ?
C21 C26 C31 C32 -176.6(5) . . . . ?
C25 C26 C31 C32 0.9(9) . . . . ?
C21 C26 C31 C43 1.2(9) . . . . ?
C25 C26 C31 C43 178.7(5) . . . . ?
C43 C31 C32 C46 -3.3(8) . . . . ?
C26 C31 C32 C46 174.5(5) . . . . ?
C43 C31 C32 C33 179.7(5) . . . . ?
C26 C31 C32 C33 -2.4(8) . . . . ?
C31 C32 C33 C38 178.2(5) . . . . ?
C46 C32 C33 C38 1.2(8) . . . . ?
C31 C32 C33 C34 0.0(8) . . . . ?
C46 C32 C33 C34 -177.0(5) . . . . ?
C38 C33 C34 C35 3.4(8) . . . . ?
C32 C33 C34 C35 -178.4(5) . . . . ?
C38 C33 C34 C25 -174.2(5) . . . . ?
C32 C33 C34 C25 4.0(8) . . . . ?
C24 C25 C34 C35 -7.5(9) . . . . ?
C26 C25 C34 C35 177.0(6) . . . . ?
C24 C25 C34 C33 170.0(6) . . . . ?
C26 C25 C34 C33 -5.5(9) . . . . ?
C33 C34 C35 C36 -5.0(9) . . . . ?
C25 C34 C35 C36 172.6(5) . . . . ?
C34 C35 C36 C37 4.4(9) . . . . ?
C34 C35 C36 C39 -176.1(5) . . . . ?
C35 C36 C37 C38 -2.3(9) . . . . ?
C39 C36 C37 C38 178.2(6) . . . . ?
C36 C37 C38 C33 0.9(9) . . . . ?
C36 C37 C38 C55 -173.1(6) . . . . ?
C34 C33 C38 C37 -1.4(8) . . . . ?
C32 C33 C38 C37 -179.6(5) . . . . ?
C34 C33 C38 C55 172.6(5) . . . . ?
C32 C33 C38 C55 -5.6(8) . . . . ?
C37 C36 C39 C42 -22.9(8) . . . . ?
C35 C36 C39 C42 157.5(5) . . . . ?
C37 C36 C39 C40 99.9(8) . . . . ?
C35 C36 C39 C40 -79.6(7) . . . . ?
C37 C36 C39 C41 -138.2(7) . . . . ?
C35 C36 C39 C41 42.3(9) . . . . ?
C32 C31 C43 C44 2.4(9) . . . . ?
C26 C31 C43 C44 -175.5(5) . . . . ?
C32 C31 C43 C16 -177.8(5) . . . . ?
C26 C31 C43 C16 4.3(9) . . . . ?
C11 C16 C43 C44 -9.2(8) . . . . ?
C15 C16 C43 C44 177.5(5) . . . . ?
C11 C16 C43 C31 171.0(5) . . . . ?
C15 C16 C43 C31 -2.3(8) . . . . ?
C31 C43 C44 C45 -0.1(8) . . . . ?
C16 C43 C44 C45 -179.9(5) . . . . ?
C31 C43 C44 C8 -177.6(5) . . . . ?
C16 C43 C44 C8 2.6(8) . . . . ?
C9 C8 C44 C43 -177.1(5) . . . . ?
C7 C8 C44 C43 4.9(8) . . . . ?
C9 C8 C44 C45 5.3(8) . . . . ?
C7 C8 C44 C45 -172.7(5) . . . . ?
C43 C44 C45 C46 -1.2(8) . . . . ?
C8 C44 C45 C46 176.4(5) . . . . ?
C43 C44 C45 C47 173.3(5) . . . . ?
C8 C44 C45 C47 -9.1(8) . . . . ?
C44 C45 C46 C32 0.3(8) . . . . ?
C47 C45 C46 C32 -174.3(5) . . . . ?
C44 C45 C46 C54 175.9(5) . . . . ?
C47 C45 C46 C54 1.3(8) . . . . ?
C31 C32 C46 C45 2.0(8) . . . . ?
C33 C32 C46 C45 179.0(5) . . . . ?
C31 C32 C46 C54 -173.9(5) . . . . ?
C33 C32 C46 C54 3.1(8) . . . . ?
C46 C45 C47 C48 172.5(5) . . . . ?
C44 C45 C47 C48 -2.0(8) . . . . ?
C46 C45 C47 C52 -2.3(8) . . . . ?
C44 C45 C47 C52 -176.8(5) . . . . ?
C52 C47 C48 C49 9.2(8) . . . . ?
C45 C47 C48 C49 -165.5(5) . . . . ?
C52 C47 C48 C9 -168.9(5) . . . . ?
C45 C47 C48 C9 16.4(7) . . . . ?
C10 C9 C48 C47 157.6(5) . . . . ?
C8 C9 C48 C47 -19.8(7) . . . . ?
C10 C9 C48 C49 -20.4(8) . . . . ?
C8 C9 C48 C49 162.1(5) . . . . ?
C47 C48 C49 C50 -19.9(8) . . . . ?
C9 C48 C49 C50 158.2(5) . . . . ?
C47 C48 C49 C114 155.7(5) . . . . ?
C9 C48 C49 C114 -26.3(8) . . . . ?
C48 C49 C50 C51 15.4(8) . . . . ?
C114 C49 C50 C51 -160.6(5) . . . . ?
C48 C49 C50 C70 -163.4(5) . . . . ?
C114 C49 C50 C70 20.6(7) . . . . ?
C49 C50 C51 C52 -0.3(8) . . . . ?
C70 C50 C51 C52 178.5(5) . . . . ?
C49 C50 C51 C64 175.8(5) . . . . ?
C70 C50 C51 C64 -5.4(8) . . . . ?
C50 C51 C52 C47 -10.5(8) . . . . ?
C64 C51 C52 C47 173.4(5) . . . . ?
C50 C51 C52 C53 168.3(5) . . . . ?
C64 C51 C52 C53 -7.7(8) . . . . ?
C48 C47 C52 C51 6.1(8) . . . . ?
C45 C47 C52 C51 -179.0(5) . . . . ?
C48 C47 C52 C53 -172.8(5) . . . . ?
C45 C47 C52 C53 2.1(8) . . . . ?
C51 C52 C53 C58 -5.0(8) . . . . ?
C47 C52 C53 C58 173.9(5) . . . . ?
C51 C52 C53 C54 -179.6(5) . . . . ?
C47 C52 C53 C54 -0.8(8) . . . . ?
C58 C53 C54 C55 4.1(8) . . . . ?
C52 C53 C54 C55 178.7(5) . . . . ?
C58 C53 C54 C46 -174.9(5) . . . . ?
C52 C53 C54 C46 -0.3(8) . . . . ?
C45 C46 C54 C55 -179.0(5) . . . . ?
C32 C46 C54 C55 -3.2(8) . . . . ?
C45 C46 C54 C53 0.0(8) . . . . ?
C32 C46 C54 C53 175.7(5) . . . . ?
C53 C54 C55 C56 -11.4(8) . . . . ?
C46 C54 C55 C56 167.5(5) . . . . ?
C53 C54 C55 C38 -179.9(5) . . . . ?
C46 C54 C55 C38 -1.0(8) . . . . ?
C37 C38 C55 C54 179.3(5) . . . . ?
C33 C38 C55 C54 5.5(8) . . . . ?
C37 C38 C55 C56 11.2(9) . . . . ?
C33 C38 C55 C56 -162.6(5) . . . . ?
C54 C55 C56 C57 5.0(9) . . . . ?
C38 C55 C56 C57 173.2(6) . . . . ?
C55 C56 C57 C58 9.3(9) . . . . ?
C55 C56 C57 C65 -159.8(5) . . . . ?
C56 C57 C58 C53 -16.3(8) . . . . ?
C65 C57 C58 C53 151.4(5) . . . . ?
C56 C57 C58 C59 159.3(6) . . . . ?
C65 C57 C58 C59 -33.0(9) . . . . ?
C52 C53 C58 C57 -164.9(5) . . . . ?
C54 C53 C58 C57 9.8(8) . . . . ?
C52 C53 C58 C59 19.1(8) . . . . ?
C54 C53 C58 C59 -166.2(5) . . . . ?
C57 C58 C59 C64 162.8(6) . . . . ?
C53 C58 C59 C64 -21.6(8) . . . . ?
C57 C58 C59 C60 -20.1(10) . . . . ?
C53 C58 C59 C60 155.6(5) . . . . ?
C64 C59 C60 C61 -8.1(9) . . . . ?
C58 C59 C60 C61 174.5(6) . . . . ?
C59 C60 C61 C62 -0.2(10) . . . . ?
C60 C61 C62 C86 -173.5(6) . . . . ?
C60 C61 C62 C63 5.9(9) . . . . ?
C61 C62 C63 C69 179.3(5) . . . . ?
C86 C62 C63 C69 -1.2(8) . . . . ?
C61 C62 C63 C64 -3.1(8) . . . . ?
C86 C62 C63 C64 176.4(5) . . . . ?
C60 C59 C64 C63 10.7(8) . . . . ?
C58 C59 C64 C63 -172.0(5) . . . . ?
C60 C59 C64 C51 -167.7(5) . . . . ?
C58 C59 C64 C51 9.7(8) . . . . ?
C69 C63 C64 C59 172.4(5) . . . . ?
C62 C63 C64 C59 -5.1(9) . . . . ?
C69 C63 C64 C51 -9.3(9) . . . . ?
C62 C63 C64 C51 173.2(5) . . . . ?
C52 C51 C64 C59 5.3(8) . . . . ?
C50 C51 C64 C59 -170.9(5) . . . . ?
C52 C51 C64 C63 -173.0(5) . . . . ?
C50 C51 C64 C63 10.7(8) . . . . ?
C56 C57 C65 C66 -82.6(7) . . . . ?
C58 C57 C65 C66 109.3(7) . . . . ?
C56 C57 C65 C67 34.2(7) . . . . ?
C58 C57 C65 C67 -133.9(6) . . . . ?
C56 C57 C65 C68 149.0(6) . . . . ?
C58 C57 C65 C68 -19.2(8) . . . . ?
C64 C63 C69 C74 -176.8(6) . . . . ?
C62 C63 C69 C74 0.7(9) . . . . ?
C64 C63 C69 C70 2.4(9) . . . . ?
C62 C63 C69 C70 179.9(5) . . . . ?
C51 C50 C70 C71 179.2(5) . . . . ?
C49 C50 C70 C71 -2.0(8) . . . . ?
C51 C50 C70 C69 -1.4(9) . . . . ?
C49 C50 C70 C69 177.4(5) . . . . ?
C63 C69 C70 C71 -177.5(5) . . . . ?
C74 C69 C70 C71 1.7(8) . . . . ?
C63 C69 C70 C50 3.0(8) . . . . ?
C74 C69 C70 C50 -177.8(5) . . . . ?
C50 C70 C71 C72 176.7(5) . . . . ?
C69 C70 C71 C72 -2.7(9) . . . . ?
C50 C70 C71 C113 -7.7(8) . . . . ?
C69 C70 C71 C113 172.9(5) . . . . ?
C70 C71 C72 C95 179.0(5) . . . . ?
C113 C71 C72 C95 3.5(9) . . . . ?
C70 C71 C72 C73 3.8(9) . . . . ?
C113 C71 C72 C73 -171.7(5) . . . . ?
C71 C72 C73 C74 -4.0(9) . . . . ?
C95 C72 C73 C74 -179.3(6) . . . . ?
C71 C72 C73 C78 178.7(5) . . . . ?
C95 C72 C73 C78 3.3(8) . . . . ?
C78 C73 C74 C69 -179.6(6) . . . . ?
C72 C73 C74 C69 3.1(9) . . . . ?
C78 C73 C74 C75 -3.6(9) . . . . ?
C72 C73 C74 C75 179.1(5) . . . . ?
C63 C69 C74 C73 177.3(6) . . . . ?
C70 C69 C74 C73 -1.9(9) . . . . ?
C63 C69 C74 C75 1.1(9) . . . . ?
C70 C69 C74 C75 -178.1(5) . . . . ?
C73 C74 C75 C76 3.0(9) . . . . ?
C69 C74 C75 C76 179.1(6) . . . . ?
C73 C74 C75 C86 -178.8(6) . . . . ?
C69 C74 C75 C86 -2.7(9) . . . . ?
C86 C75 C76 C83 3.8(10) . . . . ?
C74 C75 C76 C83 -178.0(6) . . . . ?
C86 C75 C76 C77 -178.5(6) . . . . ?
C74 C75 C76 C77 -0.3(10) . . . . ?
C75 C76 C77 C82 177.5(7) . . . . ?
C83 C76 C77 C82 -4.8(11) . . . . ?
C75 C76 C77 C78 -1.8(10) . . . . ?
C83 C76 C77 C78 175.9(6) . . . . ?
C74 C73 C78 C79 -177.9(6) . . . . ?
C72 C73 C78 C79 -0.6(9) . . . . ?
C74 C73 C78 C77 1.3(10) . . . . ?
C72 C73 C78 C77 178.7(5) . . . . ?
C82 C77 C78 C79 1.3(10) . . . . ?
C76 C77 C78 C79 -179.4(6) . . . . ?
C82 C77 C78 C73 -178.0(6) . . . . ?
C76 C77 C78 C73 1.3(9) . . . . ?
C73 C78 C79 C80 177.9(6) . . . . ?
C77 C78 C79 C80 -1.4(10) . . . . ?
C73 C78 C79 C96 -3.6(10) . . . . ?
C77 C78 C79 C96 177.1(6) . . . . ?
C78 C79 C80 C81 0.5(11) . . . . ?
C96 C79 C80 C81 -177.9(7) . . . . ?
C79 C80 C81 C82 0.4(11) . . . . ?
C79 C80 C81 C91 -176.7(8) . . . . ?
C78 C77 C82 C81 -0.3(11) . . . . ?
C76 C77 C82 C81 -179.6(7) . . . . ?
C80 C81 C82 C77 -0.5(12) . . . . ?
C91 C81 C82 C77 176.5(8) . . . . ?
C75 C76 C83 C84 -3.9(10) . . . . ?
C77 C76 C83 C84 178.3(6) . . . . ?
C76 C83 C84 C85 2.2(10) . . . . ?
C76 C83 C84 C87 179.5(6) . . . . ?
C83 C84 C85 C86 -0.4(10) . . . . ?
C87 C84 C85 C86 -177.6(6) . . . . ?
C76 C75 C86 C85 -2.0(10) . . . . ?
C74 C75 C86 C85 179.8(6) . . . . ?
C76 C75 C86 C62 -179.6(6) . . . . ?
C74 C75 C86 C62 2.2(9) . . . . ?
C84 C85 C86 C75 0.3(10) . . . . ?
C84 C85 C86 C62 177.9(6) . . . . ?
C61 C62 C86 C75 179.1(6) . . . . ?
C63 C62 C86 C75 -0.3(9) . . . . ?
C61 C62 C86 C85 1.6(10) . . . . ?
C63 C62 C86 C85 -177.9(5) . . . . ?
C85 C84 C87 C89 111.2(8) . . . . ?
C83 C84 C87 C89 -66.0(9) . . . . ?
C85 C84 C87 C88 -10.5(9) . . . . ?
C83 C84 C87 C88 172.3(6) . . . . ?
C85 C84 C87 C90 -132.0(7) . . . . ?
C83 C84 C87 C90 50.8(8) . . . . ?
C82 C81 C91 C94 9.3(13) . . . . ?
C80 C81 C91 C94 -173.9(8) . . . . ?
C82 C81 C91 C93 134.7(9) . . . . ?
C80 C81 C91 C93 -48.5(13) . . . . ?
C82 C81 C91 C92 -106.1(9) . . . . ?
C80 C81 C91 C92 70.7(9) . . . . ?
C71 C72 C95 C96 -177.0(6) . . . . ?
C73 C72 C95 C96 -1.9(9) . . . . ?
C71 C72 C95 C100 2.8(8) . . . . ?
C73 C72 C95 C100 177.9(5) . . . . ?
C72 C95 C96 C97 175.4(6) . . . . ?
C100 C95 C96 C97 -4.4(9) . . . . ?
C72 C95 C96 C79 -2.3(9) . . . . ?
C100 C95 C96 C79 177.9(5) . . . . ?
C80 C79 C96 C95 -176.5(6) . . . . ?
C78 C79 C96 C95 5.1(9) . . . . ?
C80 C79 C96 C97 5.9(10) . . . . ?
C78 C79 C96 C97 -172.5(6) . . . . ?
C95 C96 C97 C98 8.0(9) . . . . ?
C79 C96 C97 C98 -174.4(6) . . . . ?
C96 C97 C98 C99 -1.6(10) . . . . ?
C97 C98 C99 C100 -8.5(9) . . . . ?
C97 C98 C99 C104 176.3(6) . . . . ?
C98 C99 C100 C101 -164.9(5) . . . . ?
C104 C99 C100 C101 10.5(9) . . . . ?
C98 C99 C100 C95 11.7(8) . . . . ?
C104 C99 C100 C95 -172.9(5) . . . . ?
C96 C95 C100 C99 -5.4(8) . . . . ?
C72 C95 C100 C99 174.8(5) . . . . ?
C96 C95 C100 C101 171.2(5) . . . . ?
C72 C95 C100 C101 -8.6(8) . . . . ?
C99 C100 C101 C102 7.6(8) . . . . ?
C95 C100 C101 C102 -168.9(5) . . . . ?
C99 C100 C101 C113 -175.3(5) . . . . ?
C95 C100 C101 C113 8.2(8) . . . . ?
C100 C101 C102 C116 169.2(5) . . . . ?
C113 C101 C102 C116 -8.0(8) . . . . ?
C100 C101 C102 C103 -14.5(8) . . . . ?
C113 C101 C102 C103 168.2(5) . . . . ?
C116 C102 C103 C108 -2.6(8) . . . . ?
C101 C102 C103 C108 -178.8(5) . . . . ?
C116 C102 C103 C104 179.1(5) . . . . ?
C101 C102 C103 C104 2.9(9) . . . . ?
C108 C103 C104 C105 15.6(9) . . . . ?
C102 C103 C104 C105 -166.2(5) . . . . ?
C108 C103 C104 C99 -163.1(5) . . . . ?
C102 C103 C104 C99 15.1(8) . . . . ?
C98 C99 C104 C103 153.5(6) . . . . ?
C100 C99 C104 C103 -21.7(8) . . . . ?
C98 C99 C104 C105 -25.2(9) . . . . ?
C100 C99 C104 C105 159.7(6) . . . . ?
C103 C104 C105 C106 -18.5(9) . . . . ?
C99 C104 C105 C106 160.1(6) . . . . ?
C103 C104 C105 C109 153.0(7) . . . . ?
C99 C104 C105 C109 -28.4(11) . . . . ?
C104 C105 C106 C107 8.7(10) . . . . ?
C109 C105 C106 C107 -163.9(6) . . . . ?
C105 C106 C107 C108 4.8(10) . . . . ?
C105 C106 C107 C121 177.7(6) . . . . ?
C104 C103 C108 C107 -1.7(8) . . . . ?
C102 C103 C108 C107 180.0(5) . . . . ?
C104 C103 C108 C118 179.8(5) . . . . ?
C102 C103 C108 C118 1.5(8) . . . . ?
C106 C107 C108 C103 -8.5(8) . . . . ?
C121 C107 C108 C103 178.5(5) . . . . ?
C106 C107 C108 C118 170.0(5) . . . . ?
C121 C107 C108 C118 -3.0(8) . . . . ?
C106 C105 C109 C112 151.8(7) . . . . ?
C104 C105 C109 C112 -19.6(11) . . . . ?
C106 C105 C109 C111 -79.7(7) . . . . ?
C104 C105 C109 C111 108.8(8) . . . . ?
C106 C105 C109 C110 37.7(9) . . . . ?
C104 C105 C109 C110 -133.8(7) . . . . ?
C102 C101 C113 C114 -2.4(8) . . . . ?
C100 C101 C113 C114 -179.5(5) . . . . ?
C102 C101 C113 C71 175.3(5) . . . . ?
C100 C101 C113 C71 -1.8(8) . . . . ?
C70 C71 C113 C114 -2.1(8) . . . . ?
C72 C71 C113 C114 173.6(5) . . . . ?
C70 C71 C113 C101 -179.8(5) . . . . ?
C72 C71 C113 C101 -4.1(8) . . . . ?
C101 C113 C114 C115 17.7(8) . . . . ?
C71 C113 C114 C115 -160.0(5) . . . . ?
C101 C113 C114 C49 -161.3(5) . . . . ?
C71 C113 C114 C49 21.1(8) . . . . ?
C48 C49 C114 C113 154.5(5) . . . . ?
C50 C49 C114 C113 -30.0(7) . . . . ?
C48 C49 C114 C115 -24.4(8) . . . . ?
C50 C49 C114 C115 151.1(5) . . . . ?
C113 C114 C115 C116 -22.8(8) . . . . ?
C49 C114 C115 C116 156.1(5) . . . . ?
C113 C114 C115 C157 157.1(5) . . . . ?
C49 C114 C115 C157 -24.0(8) . . . . ?
C101 C102 C116 C117 -178.7(5) . . . . ?
C103 C102 C116 C117 5.1(8) . . . . ?
C101 C102 C116 C115 2.4(8) . . . . ?
C103 C102 C116 C115 -173.9(5) . . . . ?
C114 C115 C116 C102 13.0(8) . . . . ?
C157 C115 C116 C102 -166.9(5) . . . . ?
C114 C115 C116 C117 -166.0(5) . . . . ?
C157 C115 C116 C117 14.1(8) . . . . ?
C102 C116 C117 C156 178.1(5) . . . . ?
C115 C116 C117 C156 -2.9(8) . . . . ?
C102 C116 C117 C118 -6.1(8) . . . . ?
C115 C116 C117 C118 172.9(5) . . . . ?
C103 C108 C118 C119 177.8(5) . . . . ?
C107 C108 C118 C119 -0.6(8) . . . . ?
C103 C108 C118 C117 -2.8(8) . . . . ?
C107 C108 C118 C117 178.7(5) . . . . ?
C156 C117 C118 C119 0.3(8) . . . . ?
C116 C117 C118 C119 -175.7(5) . . . . ?
C156 C117 C118 C108 -179.1(5) . . . . ?
C116 C117 C118 C108 4.9(8) . . . . ?
C108 C118 C119 C142 178.5(5) . . . . ?
C117 C118 C119 C142 -0.9(8) . . . . ?
C108 C118 C119 C120 -0.8(8) . . . . ?
C117 C118 C119 C120 179.8(5) . . . . ?
C118 C119 C120 C121 6.0(8) . . . . ?
C142 C119 C120 C121 -173.2(5) . . . . ?
C118 C119 C120 C125 -176.0(5) . . . . ?
C142 C119 C120 C125 4.8(8) . . . . ?
C125 C120 C121 C122 -9.9(8) . . . . ?
C119 C120 C121 C122 168.1(5) . . . . ?
C125 C120 C121 C107 172.5(5) . . . . ?
C119 C120 C121 C107 -9.6(8) . . . . ?
C106 C107 C121 C122 17.8(9) . . . . ?
C108 C107 C121 C122 -169.5(5) . . . . ?
C106 C107 C121 C120 -164.6(6) . . . . ?
C108 C107 C121 C120 8.0(8) . . . . ?
C120 C121 C122 C123 10.3(8) . . . . ?
C107 C121 C122 C123 -172.1(5) . . . . ?
C121 C122 C123 C124 4.4(8) . . . . ?
C121 C122 C123 C126 -163.9(5) . . . . ?
C122 C123 C124 C125 -19.2(7) . . . . ?
C126 C123 C124 C125 148.0(5) . . . . ?
C122 C123 C124 C130 161.8(5) . . . . ?
C126 C123 C124 C130 -31.0(9) . . . . ?
C123 C124 C125 C137 -159.0(5) . . . . ?
C130 C124 C125 C137 20.1(8) . . . . ?
C123 C124 C125 C120 19.7(8) . . . . ?
C130 C124 C125 C120 -161.2(5) . . . . ?
C121 C120 C125 C124 -4.8(8) . . . . ?
C119 C120 C125 C124 177.2(5) . . . . ?
C121 C120 C125 C137 173.9(5) . . . . ?
C119 C120 C125 C137 -4.1(8) . . . . ?
C122 C123 C126 C127 28.3(7) . . . . ?
C124 C123 C126 C127 -138.9(6) . . . . ?
C122 C123 C126 C128 -91.3(6) . . . . ?
C124 C123 C126 C128 101.5(7) . . . . ?
C122 C123 C126 C129 141.7(5) . . . . ?
C124 C123 C126 C129 -25.5(8) . . . . ?
C123 C124 C130 C131 -29.5(8) . . . . ?
C125 C124 C130 C131 151.5(5) . . . . ?
C123 C124 C130 C135 153.6(5) . . . . ?
C125 C124 C130 C135 -25.5(7) . . . . ?
C135 C130 C131 C132 -10.5(8) . . . . ?
C124 C130 C131 C132 172.5(5) . . . . ?
C130 C131 C132 C133 -0.9(9) . . . . ?
C131 C132 C133 C134 7.9(8) . . . . ?
C131 C132 C133 C169 -169.8(5) . . . . ?
C132 C133 C134 C166 177.0(5) . . . . ?
C169 C133 C134 C166 -5.2(8) . . . . ?
C132 C133 C134 C135 -3.6(8) . . . . ?
C169 C133 C134 C135 174.3(5) . . . . ?
C131 C130 C135 C136 -166.0(5) . . . . ?
C124 C130 C135 C136 11.1(8) . . . . ?
C131 C130 C135 C134 14.4(7) . . . . ?
C124 C130 C135 C134 -168.4(5) . . . . ?
C133 C134 C135 C130 -7.6(8) . . . . ?
C166 C134 C135 C130 171.9(5) . . . . ?
C133 C134 C135 C136 172.8(5) . . . . ?
C166 C134 C135 C136 -7.7(8) . . . . ?
C130 C135 C136 C137 9.4(8) . . . . ?
C134 C135 C136 C137 -171.0(5) . . . . ?
C130 C135 C136 C141 -171.8(5) . . . . ?
C134 C135 C136 C141 7.8(8) . . . . ?
C135 C136 C137 C125 -15.1(8) . . . . ?
C141 C136 C137 C125 166.1(5) . . . . ?
C135 C136 C137 C138 167.7(5) . . . . ?
C141 C136 C137 C138 -11.1(8) . . . . ?
C124 C125 C137 C136 -0.2(8) . . . . ?
C120 C125 C137 C136 -178.9(5) . . . . ?
C124 C125 C137 C138 176.8(5) . . . . ?
C120 C125 C137 C138 -1.8(8) . . . . ?
C136 C137 C138 C139 7.4(8) . . . . ?
C125 C137 C138 C139 -169.7(5) . . . . ?
C136 C137 C138 C142 -175.9(5) . . . . ?
C125 C137 C138 C142 7.0(8) . . . . ?
C137 C138 C139 C145 -167.9(5) . . . . ?
C142 C138 C139 C145 15.4(8) . . . . ?
C137 C138 C139 C140 10.3(8) . . . . ?
C142 C138 C139 C140 -166.4(5) . . . . ?
C138 C139 C140 C141 -24.5(8) . . . . ?
C145 C139 C140 C141 153.5(6) . . . . ?
C138 C139 C140 C199 157.3(6) . . . . ?
C145 C139 C140 C199 -24.6(9) . . . . ?
C139 C140 C141 C136 21.6(8) . . . . ?
C199 C140 C141 C136 -160.1(5) . . . . ?
C139 C140 C141 C165 -160.1(5) . . . . ?
C199 C140 C141 C165 18.1(8) . . . . ?
C135 C136 C141 C140 177.8(5) . . . . ?
C137 C136 C141 C140 -3.4(8) . . . . ?
C135 C136 C141 C165 -0.5(8) . . . . ?
C137 C136 C141 C165 178.3(5) . . . . ?
C118 C119 C142 C143 -1.4(8) . . . . ?
C120 C119 C142 C143 177.8(5) . . . . ?
C118 C119 C142 C138 -178.8(5) . . . . ?
C120 C119 C142 C138 0.5(8) . . . . ?
C139 C138 C142 C143 -6.7(8) . . . . ?
C137 C138 C142 C143 176.4(5) . . . . ?
C139 C138 C142 C119 170.6(5) . . . . ?
C137 C138 C142 C119 -6.2(8) . . . . ?
C119 C142 C143 C156 4.4(8) . . . . ?
C138 C142 C143 C156 -178.3(5) . . . . ?
C119 C142 C143 C144 -179.9(5) . . . . ?
C138 C142 C143 C144 -2.6(8) . . . . ?
C156 C143 C144 C145 178.7(5) . . . . ?
C142 C143 C144 C145 3.1(8) . . . . ?
C156 C143 C144 C149 -1.9(8) . . . . ?
C142 C143 C144 C149 -177.5(5) . . . . ?
C149 C144 C145 C146 12.3(8) . . . . ?
C143 C144 C145 C146 -168.3(5) . . . . ?
C149 C144 C145 C139 -173.7(5) . . . . ?
C143 C144 C145 C139 5.7(8) . . . . ?
C138 C139 C145 C146 158.7(5) . . . . ?
C140 C139 C145 C146 -19.2(9) . . . . ?
C138 C139 C145 C144 -15.0(8) . . . . ?
C140 C139 C145 C144 167.0(5) . . . . ?
C144 C145 C146 C147 -6.9(8) . . . . ?
C139 C145 C146 C147 179.3(5) . . . . ?
C145 C146 C147 C148 -1.8(8) . . . . ?
C145 C146 C147 C150 174.5(5) . . . . ?
C146 C147 C148 C149 5.3(8) . . . . ?
C150 C147 C148 C149 -171.2(5) . . . . ?
C147 C148 C149 C144 0.0(8) . . . . ?
C147 C148 C149 C154 177.8(5) . . . . ?
C145 C144 C149 C148 -9.0(8) . . . . ?
C143 C144 C149 C148 171.6(5) . . . . ?
C145 C144 C149 C154 173.1(5) . . . . ?
C143 C144 C149 C154 -6.3(8) . . . . ?
C146 C147 C150 C153 4.0(8) . . . . ?
C148 C147 C150 C153 -179.8(5) . . . . ?
C146 C147 C150 C151 -116.5(6) . . . . ?
C148 C147 C150 C151 59.7(7) . . . . ?
C146 C147 C150 C152 124.2(6) . . . . ?
C148 C147 C150 C152 -59.6(7) . . . . ?
C148 C149 C154 C160 14.6(9) . . . . ?
C144 C149 C154 C160 -167.6(5) . . . . ?
C148 C149 C154 C155 -166.0(5) . . . . ?
C144 C149 C154 C155 11.9(8) . . . . ?
C160 C154 C155 C157 -8.6(9) . . . . ?
C149 C154 C155 C157 171.9(5) . . . . ?
C160 C154 C155 C156 170.5(5) . . . . ?
C149 C154 C155 C156 -9.0(8) . . . . ?
C116 C117 C156 C143 178.5(5) . . . . ?
C118 C117 C156 C143 2.8(8) . . . . ?
C116 C117 C156 C155 -6.9(8) . . . . ?
C118 C117 C156 C155 177.4(5) . . . . ?
C142 C143 C156 C117 -5.1(8) . . . . ?
C144 C143 C156 C117 179.3(5) . . . . ?
C142 C143 C156 C155 -179.6(5) . . . . ?
C144 C143 C156 C155 4.8(8) . . . . ?
C157 C155 C156 C117 5.2(8) . . . . ?
C154 C155 C156 C117 -174.0(5) . . . . ?
C157 C155 C156 C143 179.9(5) . . . . ?
C154 C155 C156 C143 0.7(8) . . . . ?
C154 C155 C157 C158 11.5(8) . . . . ?
C156 C155 C157 C158 -167.7(5) . . . . ?
C154 C155 C157 C115 -174.7(5) . . . . ?
C156 C155 C157 C115 6.2(8) . . . . ?
C116 C115 C157 C155 -16.0(8) . . . . ?
C114 C115 C157 C155 164.1(5) . . . . ?
C116 C115 C157 C158 157.5(5) . . . . ?
C114 C115 C157 C158 -22.3(9) . . . . ?
C155 C157 C158 C159 -5.9(9) . . . . ?
C115 C157 C158 C159 -179.7(5) . . . . ?
C157 C158 C159 C160 -2.3(9) . . . . ?
C157 C158 C159 C161 176.2(5) . . . . ?
C155 C154 C160 C159 -0.2(9) . . . . ?
C149 C154 C160 C159 179.3(5) . . . . ?
C158 C159 C160 C154 5.5(9) . . . . ?
C161 C159 C160 C154 -173.2(5) . . . . ?
C158 C159 C161 C164 6.7(8) . . . . ?
C160 C159 C161 C164 -174.8(5) . . . . ?
C158 C159 C161 C163 127.2(6) . . . . ?
C160 C159 C161 C163 -54.3(7) . . . . ?
C158 C159 C161 C162 -112.4(6) . . . . ?
C160 C159 C161 C162 66.1(7) . . . . ?
C140 C141 C165 C166 174.8(5) . . . . ?
C136 C141 C165 C166 -6.9(8) . . . . ?
C140 C141 C165 C182 -0.3(8) . . . . ?
C136 C141 C165 C182 178.0(5) . . . . ?
C182 C165 C166 C167 -0.1(8) . . . . ?
C141 C165 C166 C167 -175.0(5) . . . . ?
C182 C165 C166 C134 -178.1(5) . . . . ?
C141 C165 C166 C134 7.0(8) . . . . ?
C133 C134 C166 C165 179.8(5) . . . . ?
C135 C134 C166 C165 0.4(8) . . . . ?
C133 C134 C166 C167 1.8(8) . . . . ?
C135 C134 C166 C167 -177.6(5) . . . . ?
C165 C166 C167 C180 -0.2(8) . . . . ?
C134 C166 C167 C180 177.9(5) . . . . ?
C165 C166 C167 C168 -176.7(5) . . . . ?
C134 C166 C167 C168 1.4(8) . . . . ?
C180 C167 C168 C169 -177.6(5) . . . . ?
C166 C167 C168 C169 -1.1(8) . . . . ?
C180 C167 C168 C173 0.2(8) . . . . ?
C166 C167 C168 C173 176.6(5) . . . . ?
C173 C168 C169 C170 -6.7(9) . . . . ?
C167 C168 C169 C170 171.1(5) . . . . ?
C173 C168 C169 C133 180.0(5) . . . . ?
C167 C168 C169 C133 -2.3(8) . . . . ?
C132 C133 C169 C168 -176.9(5) . . . . ?
C134 C133 C169 C168 5.4(8) . . . . ?
C132 C133 C169 C170 9.8(9) . . . . ?
C134 C133 C169 C170 -167.9(5) . . . . ?
C168 C169 C170 C171 2.4(9) . . . . ?
C133 C169 C170 C171 175.7(5) . . . . ?
C169 C170 C171 C172 3.3(9) . . . . ?
C169 C170 C171 C174 -170.4(5) . . . . ?
C170 C171 C172 C173 -4.7(9) . . . . ?
C174 C171 C172 C173 168.8(6) . . . . ?
C171 C172 C173 C168 0.5(9) . . . . ?
C171 C172 C173 C178 -178.5(5) . . . . ?
C169 C168 C173 C172 5.3(8) . . . . ?
C167 C168 C173 C172 -172.5(5) . . . . ?
C169 C168 C173 C178 -175.7(5) . . . . ?
C167 C168 C173 C178 6.5(8) . . . . ?
C172 C171 C174 C177 20.4(8) . . . . ?
C170 C171 C174 C177 -166.1(5) . . . . ?
C172 C171 C174 C175 143.8(6) . . . . ?
C170 C171 C174 C175 -42.7(8) . . . . ?
C172 C171 C174 C176 -98.5(7) . . . . ?
C170 C171 C174 C176 75.0(6) . . . . ?
C172 C173 C178 C188 -12.2(9) . . . . ?
C168 C173 C178 C188 168.8(5) . . . . ?
C172 C173 C178 C179 169.7(5) . . . . ?
C168 C173 C178 C179 -9.3(8) . . . . ?
C188 C178 C179 C185 5.9(8) . . . . ?
C173 C178 C179 C185 -176.0(5) . . . . ?
C188 C178 C179 C180 -172.9(5) . . . . ?
C173 C178 C179 C180 5.3(8) . . . . ?
C166 C167 C180 C181 -0.5(8) . . . . ?
C168 C167 C180 C181 176.0(5) . . . . ?
C166 C167 C180 C179 179.3(5) . . . . ?
C168 C167 C180 C179 -4.2(8) . . . . ?
C178 C179 C180 C181 -178.9(5) . . . . ?
C185 C179 C180 C181 2.4(8) . . . . ?
C178 C179 C180 C167 1.4(8) . . . . ?
C185 C179 C180 C167 -177.3(5) . . . . ?
C167 C180 C181 C182 1.4(8) . . . . ?
C179 C180 C181 C182 -178.4(5) . . . . ?
C167 C180 C181 C183 178.7(5) . . . . ?
C179 C180 C181 C183 -1.1(8) . . . . ?
C166 C165 C182 C181 1.0(8) . . . . ?
C141 C165 C182 C181 176.0(5) . . . . ?
C166 C165 C182 C198 175.4(5) . . . . ?
C141 C165 C182 C198 -9.6(8) . . . . ?
C180 C181 C182 C165 -1.6(8) . . . . ?
C183 C181 C182 C165 -178.9(5) . . . . ?
C180 C181 C182 C198 -176.0(5) . . . . ?
C183 C181 C182 C198 6.8(8) . . . . ?
C182 C181 C183 C184 178.9(5) . . . . ?
C180 C181 C183 C184 1.7(8) . . . . ?
C182 C181 C183 C196 -0.8(8) . . . . ?
C180 C181 C183 C196 -178.1(5) . . . . ?
C196 C183 C184 C193 -3.7(8) . . . . ?
C181 C183 C184 C193 176.5(5) . . . . ?
C196 C183 C184 C185 176.3(5) . . . . ?
C181 C183 C184 C185 -3.5(8) . . . . ?
C178 C179 C185 C186 -6.2(8) . . . . ?
C180 C179 C185 C186 172.5(5) . . . . ?
C178 C179 C185 C184 177.1(5) . . . . ?
C180 C179 C185 C184 -4.2(8) . . . . ?
C193 C184 C185 C186 8.2(9) . . . . ?
C183 C184 C185 C186 -171.8(5) . . . . ?
C193 C184 C185 C179 -175.3(6) . . . . ?
C183 C184 C185 C179 4.7(8) . . . . ?
C179 C185 C186 C187 2.8(9) . . . . ?
C184 C185 C186 C187 179.3(6) . . . . ?
C185 C186 C187 C188 1.1(9) . . . . ?
C185 C186 C187 C189 -174.8(5) . . . . ?
C186 C187 C188 C178 -1.6(9) . . . . ?
C189 C187 C188 C178 174.1(5) . . . . ?
C179 C178 C188 C187 -1.9(8) . . . . ?
C173 C178 C188 C187 180.0(5) . . . . ?
C188 C187 C189 C191 -116.1(6) . . . . ?
C186 C187 C189 C191 59.6(7) . . . . ?
C188 C187 C189 C192 123.2(6) . . . . ?
C186 C187 C189 C192 -61.1(7) . . . . ?
C188 C187 C189 C190 3.0(8) . . . . ?
C186 C187 C189 C190 178.7(5) . . . . ?
C183 C184 C193 C194 6.6(9) . . . . ?
C185 C184 C193 C194 -173.4(6) . . . . ?
C184 C193 C194 C195 -2.3(9) . . . . ?
C193 C194 C195 C196 -5.2(9) . . . . ?
C193 C194 C195 C204 175.1(6) . . . . ?
C194 C195 C196 C197 -168.5(5) . . . . ?
C204 C195 C196 C197 11.2(9) . . . . ?
C194 C195 C196 C183 7.9(9) . . . . ?
C204 C195 C196 C183 -172.3(5) . . . . ?
C184 C183 C196 C195 -3.7(9) . . . . ?
C181 C183 C196 C195 176.1(5) . . . . ?
C184 C183 C196 C197 172.9(5) . . . . ?
C181 C183 C196 C197 -7.4(8) . . . . ?
C195 C196 C197 C198 -173.5(6) . . . . ?
C183 C196 C197 C198 10.0(9) . . . . ?
C195 C196 C197 C202 3.7(9) . . . . ?
C183 C196 C197 C202 -172.9(5) . . . . ?
C196 C197 C198 C199 176.4(5) . . . . ?
C202 C197 C198 C199 -0.8(9) . . . . ?
C196 C197 C198 C182 -4.1(9) . . . . ?
C202 C197 C198 C182 178.8(5) . . . . ?
C165 C182 C198 C199 0.8(8) . . . . ?
C181 C182 C198 C199 175.2(5) . . . . ?
C165 C182 C198 C197 -178.8(5) . . . . ?
C181 C182 C198 C197 -4.4(8) . . . . ?
C197 C198 C199 C200 17.4(8) . . . . ?
C182 C198 C199 C200 -162.2(5) . . . . ?
C197 C198 C199 C140 -163.2(5) . . . . ?
C182 C198 C199 C140 17.2(8) . . . . ?
C141 C140 C199 C198 -26.3(8) . . . . ?
C139 C140 C199 C198 151.9(6) . . . . ?
C141 C140 C199 C200 153.1(6) . . . . ?
C139 C140 C199 C200 -28.8(9) . . . . ?
C198 C199 C200 C201 -23.5(8) . . . . ?
C140 C199 C200 C201 157.1(5) . . . . ?
C198 C199 C200 C241 159.0(5) . . . . ?
C140 C199 C200 C241 -20.4(9) . . . . ?
C199 C200 C201 C202 13.1(8) . . . . ?
C241 C200 C201 C202 -169.2(5) . . . . ?
C199 C200 C201 C240 -163.0(5) . . . . ?
C241 C200 C201 C240 14.6(8) . . . . ?
C200 C201 C202 C203 -176.3(5) . . . . ?
C240 C201 C202 C203 -0.1(8) . . . . ?
C200 C201 C202 C197 3.4(8) . . . . ?
C240 C201 C202 C197 179.5(5) . . . . ?
C196 C197 C202 C203 -7.3(8) . . . . ?
C198 C197 C202 C203 170.0(5) . . . . ?
C196 C197 C202 C201 173.1(5) . . . . ?
C198 C197 C202 C201 -9.6(8) . . . . ?
C201 C202 C203 C204 175.3(5) . . . . ?
C197 C202 C203 C204 -4.3(8) . . . . ?
C201 C202 C203 C212 1.2(8) . . . . ?
C197 C202 C203 C212 -178.5(5) . . . . ?
C202 C203 C204 C205 -161.0(5) . . . . ?
C212 C203 C204 C205 13.0(8) . . . . ?
C202 C203 C204 C195 18.8(8) . . . . ?
C212 C203 C204 C195 -167.2(5) . . . . ?
C196 C195 C204 C203 -22.3(8) . . . . ?
C194 C195 C204 C203 157.4(5) . . . . ?
C196 C195 C204 C205 157.5(6) . . . . ?
C194 C195 C204 C205 -22.8(9) . . . . ?
C203 C204 C205 C210 -22.1(8) . . . . ?
C195 C204 C205 C210 158.1(5) . . . . ?
C203 C204 C205 C206 148.1(5) . . . . ?
C195 C204 C205 C206 -31.7(8) . . . . ?
C210 C205 C206 C207 -76.3(6) . . . . ?
C204 C205 C206 C207 113.4(6) . . . . ?
C210 C205 C206 C208 157.4(5) . . . . ?
C204 C205 C206 C208 -12.9(8) . . . . ?
C210 C205 C206 C209 42.9(6) . . . . ?
C204 C205 C206 C209 -127.4(6) . . . . ?
C204 C205 C210 C211 14.8(9) . . . . ?
C206 C205 C210 C211 -156.7(6) . . . . ?
C205 C210 C211 C212 2.8(9) . . . . ?
C205 C210 C211 C216 171.6(6) . . . . ?
C210 C211 C212 C203 -12.8(9) . . . . ?
C216 C211 C212 C203 178.0(5) . . . . ?
C210 C211 C212 C213 166.9(5) . . . . ?
C216 C211 C212 C213 -2.2(9) . . . . ?
C204 C203 C212 C211 4.9(8) . . . . ?
C202 C203 C212 C211 179.1(5) . . . . ?
C204 C203 C212 C213 -174.8(5) . . . . ?
C202 C203 C212 C213 -0.7(8) . . . . ?
C211 C212 C213 C240 179.3(6) . . . . ?
C203 C212 C213 C240 -0.9(8) . . . . ?
C211 C212 C213 C214 -4.8(9) . . . . ?
C203 C212 C213 C214 174.9(5) . . . . ?
C240 C213 C214 C227 3.1(8) . . . . ?
C212 C213 C214 C227 -172.7(5) . . . . ?
C240 C213 C214 C215 179.6(5) . . . . ?
C212 C213 C214 C215 3.8(8) . . . . ?
C213 C214 C215 C220 -178.4(5) . . . . ?
C227 C214 C215 C220 -2.0(9) . . . . ?
C213 C214 C215 C216 4.3(8) . . . . ?
C227 C214 C215 C216 -179.3(5) . . . . ?
C220 C215 C216 C217 -0.5(9) . . . . ?
C214 C215 C216 C217 176.8(5) . . . . ?
C220 C215 C216 C211 171.3(6) . . . . ?
C214 C215 C216 C211 -11.4(9) . . . . ?
C210 C211 C216 C217 13.3(9) . . . . ?
C212 C211 C216 C217 -178.0(6) . . . . ?
C210 C211 C216 C215 -158.1(6) . . . . ?
C212 C211 C216 C215 10.6(9) . . . . ?
C215 C216 C217 C218 0.6(9) . . . . ?
C211 C216 C217 C218 -171.1(6) . . . . ?
C216 C217 C218 C219 0.0(10) . . . . ?
C216 C217 C218 C221 173.6(6) . . . . ?
C217 C218 C219 C220 -0.7(10) . . . . ?
C221 C218 C219 C220 -174.3(6) . . . . ?
C218 C219 C220 C215 0.8(9) . . . . ?
C218 C219 C220 C225 175.5(6) . . . . ?
C216 C215 C220 C219 -0.1(9) . . . . ?
C214 C215 C220 C219 -177.3(5) . . . . ?
C216 C215 C220 C225 -175.0(6) . . . . ?
C214 C215 C220 C225 7.9(9) . . . . ?
C219 C218 C221 C223 -151.5(6) . . . . ?
C217 C218 C221 C223 35.2(8) . . . . ?
C219 C218 C221 C222 87.5(7) . . . . ?
C217 C218 C221 C222 -85.8(7) . . . . ?
C219 C218 C221 C224 -30.9(9) . . . . ?
C217 C218 C221 C224 155.7(6) . . . . ?
C219 C220 C225 C231 -6.0(9) . . . . ?
C215 C220 C225 C231 168.6(6) . . . . ?
C219 C220 C225 C226 176.2(6) . . . . ?
C215 C220 C225 C226 -9.3(9) . . . . ?
C231 C225 C226 C228 6.1(9) . . . . ?
C220 C225 C226 C228 -176.0(5) . . . . ?
C231 C225 C226 C227 -173.1(5) . . . . ?
C220 C225 C226 C227 4.8(9) . . . . ?
C213 C214 C227 C238 -5.0(8) . . . . ?
C215 C214 C227 C238 178.4(5) . . . . ?
C213 C214 C227 C226 174.1(5) . . . . ?
C215 C214 C227 C226 -2.5(8) . . . . ?
C228 C226 C227 C238 0.9(8) . . . . ?
C225 C226 C227 C238 -179.9(5) . . . . ?
C228 C226 C227 C214 -178.2(5) . . . . ?
C225 C226 C227 C214 1.0(8) . . . . ?
C225 C226 C228 C229 -7.9(8) . . . . ?
C227 C226 C228 C229 171.3(5) . . . . ?
C225 C226 C228 C236 171.3(5) . . . . ?
C227 C226 C228 C236 -9.5(8) . . . . ?
C226 C228 C229 C230 4.3(9) . . . . ?
C236 C228 C229 C230 -174.9(6) . . . . ?
C228 C229 C230 C231 1.2(9) . . . . ?
C228 C229 C230 C232 -176.1(6) . . . . ?
C226 C225 C231 C230 -0.5(9) . . . . ?
C220 C225 C231 C230 -178.3(6) . . . . ?
C229 C230 C231 C225 -3.1(10) . . . . ?
C232 C230 C231 C225 174.3(6) . . . . ?
C229 C230 C232 C233 -5.1(9) . . . . ?
C231 C230 C232 C233 177.6(5) . . . . ?
C229 C230 C232 C235 113.9(7) . . . . ?
C231 C230 C232 C235 -63.3(7) . . . . ?
C229 C230 C232 C234 -123.5(7) . . . . ?
C231 C230 C232 C234 59.3(8) . . . . ?
C226 C228 C236 C254 -166.2(5) . . . . ?
C229 C228 C236 C254 13.0(8) . . . . ?
C226 C228 C236 C237 9.2(8) . . . . ?
C229 C228 C236 C237 -171.6(5) . . . . ?
C254 C236 C237 C251 -4.0(8) . . . . ?
C228 C236 C237 C251 -179.4(5) . . . . ?
C254 C236 C237 C238 175.1(5) . . . . ?
C228 C236 C237 C238 -0.3(8) . . . . ?
C214 C227 C238 C237 -172.9(5) . . . . ?
C226 C227 C238 C237 8.0(8) . . . . ?
C214 C227 C238 C239 4.0(8) . . . . ?
C226 C227 C238 C239 -175.1(5) . . . . ?
C251 C237 C238 C227 170.7(5) . . . . ?
C236 C237 C238 C227 -8.4(8) . . . . ?
C251 C237 C238 C239 -6.0(8) . . . . ?
C236 C237 C238 C239 174.9(5) . . . . ?
C227 C238 C239 C240 -1.1(8) . . . . ?
C237 C238 C239 C240 175.8(5) . . . . ?
C227 C238 C239 C242 -175.5(5) . . . . ?
C237 C238 C239 C242 1.3(8) . . . . ?
C214 C213 C240 C239 -0.3(9) . . . . ?
C212 C213 C240 C239 175.5(5) . . . . ?
C214 C213 C240 C201 -173.8(5) . . . . ?
C212 C213 C240 C201 2.0(8) . . . . ?
C238 C239 C240 C213 -0.7(8) . . . . ?
C242 C239 C240 C213 173.8(5) . . . . ?
C238 C239 C240 C201 172.8(5) . . . . ?
C242 C239 C240 C201 -12.8(8) . . . . ?
C200 C201 C240 C213 174.6(5) . . . . ?
C202 C201 C240 C213 -1.5(8) . . . . ?
C200 C201 C240 C239 1.0(8) . . . . ?
C202 C201 C240 C239 -175.1(5) . . . . ?
C201 C200 C241 C242 -19.3(7) . . . . ?
C199 C200 C241 C242 158.2(5) . . . . ?
C201 C200 C241 C246 157.3(5) . . . . ?
C199 C200 C241 C246 -25.2(8) . . . . ?
C246 C241 C242 C243 7.8(7) . . . . ?
C200 C241 C242 C243 -175.4(5) . . . . ?
C246 C241 C242 C239 -168.7(5) . . . . ?
C200 C241 C242 C239 8.1(8) . . . . ?
C240 C239 C242 C241 8.3(8) . . . . ?
C238 C239 C242 C241 -177.3(5) . . . . ?
C240 C239 C242 C243 -168.3(5) . . . . ?
C238 C239 C242 C243 6.1(8) . . . . ?
C241 C242 C243 C244 -3.8(8) . . . . ?
C239 C242 C243 C244 172.7(5) . . . . ?
C241 C242 C243 C251 174.9(5) . . . . ?
C239 C242 C243 C251 -8.6(7) . . . . ?
C242 C243 C244 C245 -3.3(8) . . . . ?
C251 C243 C244 C245 178.1(5) . . . . ?
C243 C244 C245 C246 5.8(8) . . . . ?
C243 C244 C245 C247 -173.7(5) . . . . ?
C244 C245 C246 C241 -1.4(8) . . . . ?
C247 C245 C246 C241 178.1(5) . . . . ?
C242 C241 C246 C245 -5.3(8) . . . . ?
C200 C241 C246 C245 178.0(5) . . . . ?
C246 C245 C247 C250 3.6(7) . . . . ?
C244 C245 C247 C250 -177.0(5) . . . . ?
C246 C245 C247 C249 123.1(5) . . . . ?
C244 C245 C247 C249 -57.4(7) . . . . ?
C246 C245 C247 C248 -117.7(6) . . . . ?
C244 C245 C247 C248 61.8(6) . . . . ?
C238 C237 C251 C252 -172.6(5) . . . . ?
C236 C237 C251 C252 6.5(8) . . . . ?
C238 C237 C251 C243 3.3(8) . . . . ?
C236 C237 C251 C243 -177.5(5) . . . . ?
C244 C243 C251 C252 -1.3(8) . . . . ?
C242 C243 C251 C252 -179.9(5) . . . . ?
C244 C243 C251 C237 -177.3(5) . . . . ?
C242 C243 C251 C237 4.0(7) . . . . ?
C237 C251 C252 C253 -2.2(8) . . . . ?
C243 C251 C252 C253 -178.3(5) . . . . ?
C251 C252 C253 C254 -4.5(8) . . . . ?
C251 C252 C253 C255 172.5(5) . . . . ?
C237 C236 C254 C253 -2.8(8) . . . . ?
C228 C236 C254 C253 172.4(5) . . . . ?
C252 C253 C254 C236 7.0(8) . . . . ?
C255 C253 C254 C236 -170.0(5) . . . . ?
C252 C253 C255 C257 157.4(5) . . . . ?
C254 C253 C255 C257 -25.8(8) . . . . ?
C252 C253 C255 C258 36.6(8) . . . . ?
C254 C253 C255 C258 -146.6(6) . . . . ?
C252 C253 C255 C256 -82.3(7) . . . . ?
C254 C253 C255 C256 94.5(7) . . . . ?
