#------------------------------------------------------------------------------
#$Date: 2024-01-06 09:23:42 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288746 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/03/1570321.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_1570321
loop_
_publ_author_name
'Peddi, Balakrishna'
'Khan, Souvik'
'Gonnade, Rajesh G.'
'Yildiz, Cem B.'
'Majumdar, Moumita'
_publ_section_title
;
 Intramolecular donor-stabilized tetra-coordinated germanium(iv)
 di-cations and their Lewis acidic properties.
;
_journal_issue                   47
_journal_name_full               'Chemical science'
_journal_page_first              13755
_journal_page_last               13764
_journal_paper_doi               10.1039/d3sc03717g
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C48 H38 Ge P2, 0.5(C14)'
_chemical_formula_sum            'C55 H38 Ge P2'
_chemical_formula_weight         833.38
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-04-14 deposited with the CCDC.	2023-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                99.098(16)
_cell_angle_beta                 91.984(15)
_cell_angle_gamma                102.355(19)
_cell_formula_units_Z            2
_cell_length_a                   11.025(6)
_cell_length_b                   13.376(8)
_cell_length_c                   14.809(8)
_cell_measurement_reflns_used    9025
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.45
_cell_measurement_theta_min      2.19
_cell_volume                     2101(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0865
_diffrn_reflns_av_unetI/netI     0.0823
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            33447
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.028
_diffrn_reflns_theta_max         25.028
_diffrn_reflns_theta_min         1.896
_exptl_absorpt_coefficient_mu    0.843
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_description       block
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     594
_refine_ls_number_reflns         7377
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0482P)²+2.1117P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1168
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5290
_reflns_number_total             7377
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc03717g2.cif
_cod_data_source_block           TRY_a_CCDC3
_cod_depositor_comments
'Adding full bibliography for 1570312--1570327.cif.'
_cod_database_code               1570321
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.30908(4) 0.66155(3) 0.39632(3) 0.02034(13) Uani 1 1 d . . . . .
H1 H 0.187(3) 0.588(3) 0.416(2) 0.027(10) Uiso 1 1 d . . . . .
P1 P 0.07026(9) 0.70201(7) 0.28481(7) 0.0247(2) Uani 1 1 d . . . . .
C1 C 0.2971(3) 0.8043(3) 0.4492(2) 0.0224(8) Uani 1 1 d . . . . .
P2 P 0.28423(9) 0.41826(7) 0.30749(6) 0.0218(2) Uani 1 1 d . . . . .
H2 H 0.434(3) 0.639(2) 0.463(2) 0.013(8) Uiso 1 1 d . . . . .
C2 C 0.3524(3) 0.6610(3) 0.2679(2) 0.0227(9) Uani 1 1 d . . . . .
C3 C 0.3850(4) 0.8501(3) 0.5219(3) 0.0328(10) Uani 1 1 d . . . . .
H3 H 0.440893 0.810503 0.539678 0.039 Uiso 1 1 calc R U . . .
C4 C 0.3965(4) 0.9521(3) 0.5710(3) 0.0504(13) Uani 1 1 d . . . . .
H4 H 0.457830 0.978814 0.620565 0.061 Uiso 1 1 calc R U . . .
C5 C 0.3193(4) 1.0107(3) 0.5467(3) 0.0386(11) Uani 1 1 d . . . . .
C6 C 0.1582(3) 1.0390(3) 0.4545(3) 0.0272(9) Uani 1 1 d . . . . .
C7 C 0.0611(3) 1.0078(3) 0.3885(3) 0.0290(9) Uani 1 1 d . . . . .
H7 H 0.010543 1.054001 0.375966 0.035 Uiso 1 1 calc R U . . .
C8 C 0.0384(3) 0.9055(3) 0.3397(3) 0.0289(9) Uani 1 1 d . . . . .
H8 H -0.030010 0.883829 0.294990 0.035 Uiso 1 1 calc R U . . .
C9 C 0.1102(3) 0.8339(3) 0.3531(3) 0.0248(9) Uani 1 1 d . . . . .
C10 C 0.2117(3) 0.8642(3) 0.4224(2) 0.0205(8) Uani 1 1 d . . . . .
C11 C 0.2293(3) 0.9675(3) 0.4719(3) 0.0248(9) Uani 1 1 d . . . . .
C12 C 0.2108(4) 1.1431(3) 0.5158(3) 0.0400(11) Uani 1 1 d . . . . .
H12A H 0.144077 1.169644 0.548259 0.048 Uiso 1 1 calc R U . . .
H12B H 0.252358 1.195005 0.479545 0.048 Uiso 1 1 calc R U . . .
C13 C 0.3058(4) 1.1194(3) 0.5846(4) 0.0560(15) Uani 1 1 d . . . . .
H13A H 0.386648 1.169740 0.588232 0.067 Uiso 1 1 calc R U . . .
H13B H 0.274307 1.122345 0.646575 0.067 Uiso 1 1 calc R U . . .
C14 C 0.3995(4) 0.7597(3) 0.2477(3) 0.0331(10) Uani 1 1 d . . . . .
H14 H 0.413535 0.816908 0.296643 0.040 Uiso 1 1 calc R U . . .
C16 C 0.4040(4) 0.6995(3) 0.0875(3) 0.0290(9) Uani 1 1 d . . . . .
C15 C 0.4277(4) 0.7801(3) 0.1594(3) 0.0430(12) Uani 1 1 d . . . . .
H15 H 0.462517 0.848722 0.150076 0.052 Uiso 1 1 calc R U . . .
C17 C 0.3362(3) 0.5245(3) 0.0233(2) 0.0235(9) Uani 1 1 d . . . . .
C19 C 0.2743(3) 0.3947(3) 0.1156(3) 0.0270(9) Uani 1 1 d . . . . .
H19 H 0.246350 0.323165 0.119075 0.032 Uiso 1 1 calc R U . . .
C18 C 0.2926(3) 0.4219(3) 0.0284(3) 0.0278(9) Uani 1 1 d . . . . .
H18 H 0.275210 0.370573 -0.025419 0.033 Uiso 1 1 calc R U . . .
C1R C 0.6565(7) 0.9742(6) 0.0495(6) 0.033(2) Uani 0.5 1 d . . P . .
C2R C 0.7129(8) 1.0360(7) 0.1314(6) 0.040(2) Uani 0.5 1 d . . P . .
C29 C -0.2618(4) 0.5697(3) 0.3774(3) 0.0437(12) Uani 1 1 d . . . . .
H29 H -0.285603 0.530966 0.424921 0.052 Uiso 1 1 calc R U . . .
C28 C -0.3515(4) 0.5938(3) 0.3223(3) 0.0416(12) Uani 1 1 d . . . . .
H28 H -0.437169 0.571530 0.331810 0.050 Uiso 1 1 calc R U . . .
C27 C -0.3165(4) 0.6500(3) 0.2537(3) 0.0356(11) Uani 1 1 d . . . . .
H27 H -0.378761 0.664770 0.215112 0.043 Uiso 1 1 calc R U . . .
C26 C -0.1914(4) 0.6858(3) 0.2399(3) 0.0343(10) Uani 1 1 d . . . . .
H26 H -0.168762 0.726040 0.193155 0.041 Uiso 1 1 calc R U . . .
C25 C -0.0987(3) 0.6621(3) 0.2954(3) 0.0283(9) Uani 1 1 d . . . . .
C24 C 0.3682(4) 0.5791(3) -0.0578(2) 0.0282(9) Uani 1 1 d . . . . .
H24A H 0.293650 0.570179 -0.100039 0.034 Uiso 1 1 calc R U . . .
H24B H 0.432930 0.551542 -0.092070 0.034 Uiso 1 1 calc R U . . .
C23 C 0.4175(4) 0.6954(3) -0.0149(3) 0.0347(10) Uani 1 1 d . . . . .
H23A H 0.505757 0.719443 -0.027227 0.042 Uiso 1 1 calc R U . . .
H23B H 0.367690 0.739394 -0.039927 0.042 Uiso 1 1 calc R U . . .
C22 C 0.3568(3) 0.5985(3) 0.1047(2) 0.0207(8) Uani 1 1 d . . . . .
C21 C 0.3338(3) 0.5744(3) 0.1937(2) 0.0183(8) Uani 1 1 d . . . . .
C20 C 0.2942(3) 0.4650(3) 0.1966(2) 0.0208(8) Uani 1 1 d . . . . .
C3R C 0.8246(10) 1.0257(9) 0.1688(7) 0.047(2) Uani 0.5 1 d . . P . .
C39 C -0.0478(4) 0.2996(3) 0.4079(3) 0.0406(11) Uani 1 1 d . . . . .
H39 H -0.072190 0.267452 0.459208 0.049 Uiso 1 1 calc R U . . .
C38 C 0.0775(4) 0.3292(3) 0.3928(3) 0.0344(10) Uani 1 1 d . . . . .
H38 H 0.138360 0.318614 0.435197 0.041 Uiso 1 1 calc R U . . .
C37 C 0.1158(3) 0.3741(3) 0.3167(2) 0.0244(9) Uani 1 1 d . . . . .
C36 C 0.1365(5) 0.8183(4) 0.1409(3) 0.0575(15) Uani 1 1 d . . . . .
H36 H 0.171295 0.876399 0.186890 0.069 Uiso 1 1 calc R U . . .
C35 C 0.1461(5) 0.8283(4) 0.0496(3) 0.0643(16) Uani 1 1 d . . . . .
H35 H 0.186360 0.892898 0.034080 0.077 Uiso 1 1 calc R U . . .
C34 C 0.0979(4) 0.7459(3) -0.0183(3) 0.0402(11) Uani 1 1 d . . . . .
H34 H 0.104366 0.752656 -0.080931 0.048 Uiso 1 1 calc R U . . .
C33 C 0.0400(4) 0.6532(3) 0.0057(3) 0.0414(11) Uani 1 1 d . . . . .
H33 H 0.005988 0.595423 -0.040866 0.050 Uiso 1 1 calc R U . . .
C32 C 0.0307(4) 0.6430(3) 0.0968(3) 0.0359(10) Uani 1 1 d . . . . .
H32 H -0.008498 0.577910 0.111903 0.043 Uiso 1 1 calc R U . . .
C31 C 0.0778(3) 0.7264(3) 0.1669(3) 0.0269(9) Uani 1 1 d . . . . .
C30 C -0.1361(4) 0.6025(3) 0.3628(3) 0.0358(10) Uani 1 1 d . . . . .
H30 H -0.074915 0.583820 0.399574 0.043 Uiso 1 1 calc R U . . .
C4R C 0.8849(12) 0.9494(10) 0.1258(9) 0.049(3) Uani 0.5 1 d . . P . .
C48 C 0.2629(5) 0.1973(3) 0.2741(4) 0.0559(15) Uani 1 1 d . . . . .
H48 H 0.176831 0.188788 0.283766 0.067 Uiso 1 1 calc R U . . .
C47 C 0.3138(6) 0.1107(4) 0.2562(4) 0.077(2) Uani 1 1 d . . . . .
H47 H 0.262112 0.043938 0.255987 0.092 Uiso 1 1 calc R U . . .
C46 C 0.4338(5) 0.1181(4) 0.2393(3) 0.0508(14) Uani 1 1 d . . . . .
H46 H 0.465827 0.057445 0.224710 0.061 Uiso 1 1 calc R U . . .
C45 C 0.5098(4) 0.2151(4) 0.2434(3) 0.0471(12) Uani 1 1 d . . . . .
H45 H 0.595210 0.221976 0.232163 0.056 Uiso 1 1 calc R U . . .
C44 C 0.4613(4) 0.3024(3) 0.2640(3) 0.0393(11) Uani 1 1 d . . . . .
H44 H 0.514995 0.369139 0.268814 0.047 Uiso 1 1 calc R U . . .
C43 C 0.3353(3) 0.2950(3) 0.2780(2) 0.0238(9) Uani 1 1 d . . . . .
C42 C 0.0247(4) 0.3915(3) 0.2577(3) 0.0291(9) Uani 1 1 d . . . . .
H42 H 0.048422 0.422961 0.205886 0.035 Uiso 1 1 calc R U . . .
C41 C -0.1010(4) 0.3635(3) 0.2733(3) 0.0366(10) Uani 1 1 d . . . . .
H41 H -0.161943 0.376443 0.232431 0.044 Uiso 1 1 calc R U . . .
C40 C -0.1374(4) 0.3172(3) 0.3477(3) 0.0405(11) Uani 1 1 d . . . . .
H40 H -0.223256 0.297395 0.357757 0.049 Uiso 1 1 calc R U . . .
C5R C 0.8276(12) 0.8859(11) 0.0422(11) 0.048(4) Uani 0.5 1 d . . P . .
C6R C 0.7142(8) 0.8967(6) 0.0037(7) 0.040(2) Uani 0.5 1 d . . P . .
C7R C 0.5344(8) 0.9882(8) 0.0046(7) 0.039(2) Uani 0.5 1 d . . P . .
C1S C 0.8241(11) 0.9392(10) 0.0782(10) 0.040(3) Uani 0.5 1 d . . P . .
C2S C 0.7193(9) 0.9085(8) 0.1279(8) 0.059(3) Uani 0.5 1 d . . P . .
C3S C 0.7057(9) 0.9638(8) 0.2136(7) 0.053(3) Uani 0.5 1 d . . P . .
C4S C 0.7955(8) 1.0545(7) 0.2500(7) 0.047(2) Uani 0.5 1 d . . P . .
C5S C 0.8982(9) 1.0871(7) 0.2057(7) 0.041(2) Uani 0.5 1 d . . P . .
C6S C 0.9138(9) 1.0314(9) 0.1203(7) 0.051(3) Uani 0.5 1 d . . P . .
C7S C 0.8350(15) 0.8796(12) -0.0131(11) 0.084(6) Uani 0.5 1 d . . P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Ge1 C1 107.99(15) . . ?
C2 Ge1 H1 118.6(12) . . ?
C1 Ge1 H1 106.7(12) . . ?
C2 Ge1 H2 110.1(10) . . ?
C1 Ge1 H2 104.1(10) . . ?
H1 Ge1 H2 108.5(15) . . ?
C31 P1 C25 102.54(17) . . ?
C31 P1 C9 102.97(17) . . ?
C25 P1 C9 102.67(17) . . ?
C3 C1 C10 117.9(3) . . ?
C3 C1 Ge1 113.1(3) . . ?
C10 C1 Ge1 129.0(3) . . ?
C37 P2 C20 103.76(16) . . ?
C37 P2 C43 102.75(17) . . ?
C20 P2 C43 100.83(16) . . ?
C14 C2 C21 117.6(3) . . ?
C14 C2 Ge1 113.7(3) . . ?
C21 C2 Ge1 128.6(2) . . ?
C1 C3 C4 124.2(4) . . ?
C1 C3 H3 117.9 . . ?
C4 C3 H3 117.9 . . ?
C5 C4 C3 119.3(4) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C11 118.4(4) . . ?
C4 C5 C13 132.5(4) . . ?
C11 C5 C13 109.1(3) . . ?
C7 C6 C11 119.0(3) . . ?
C7 C6 C12 131.7(3) . . ?
C11 C6 C12 109.3(3) . . ?
C6 C7 C8 118.2(3) . . ?
C6 C7 H7 120.9 . . ?
C8 C7 H7 120.9 . . ?
C9 C8 C7 124.1(4) . . ?
C9 C8 H8 117.9 . . ?
C7 C8 H8 117.9 . . ?
C8 C9 C10 118.8(3) . . ?
C8 C9 P1 119.8(3) . . ?
C10 C9 P1 121.4(3) . . ?
C11 C10 C9 115.2(3) . . ?
C11 C10 C1 115.9(3) . . ?
C9 C10 C1 128.8(3) . . ?
C6 C11 C5 111.2(3) . . ?
C6 C11 C10 124.5(3) . . ?
C5 C11 C10 124.3(3) . . ?
C6 C12 C13 104.4(3) . . ?
C6 C12 H12A 110.9 . . ?
C13 C12 H12A 110.9 . . ?
C6 C12 H12B 110.9 . . ?
C13 C12 H12B 110.9 . . ?
H12A C12 H12B 108.9 . . ?
C5 C13 C12 104.8(3) . . ?
C5 C13 H13A 110.8 . . ?
C12 C13 H13A 110.8 . . ?
C5 C13 H13B 110.8 . . ?
C12 C13 H13B 110.8 . . ?
H13A C13 H13B 108.9 . . ?
C2 C14 C15 124.3(4) . . ?
C2 C14 H14 117.8 . . ?
C15 C14 H14 117.8 . . ?
C15 C16 C22 118.8(3) . . ?
C15 C16 C23 132.0(3) . . ?
C22 C16 C23 109.2(3) . . ?
C16 C15 C14 118.8(4) . . ?
C16 C15 H15 120.6 . . ?
C14 C15 H15 120.6 . . ?
C18 C17 C22 119.1(3) . . ?
C18 C17 C24 131.4(3) . . ?
C22 C17 C24 109.5(3) . . ?
C20 C19 C18 124.3(3) . . ?
C20 C19 H19 117.8 . . ?
C18 C19 H19 117.8 . . ?
C17 C18 C19 118.0(3) . . ?
C17 C18 H18 121.0 . . ?
C19 C18 H18 121.0 . . ?
C2R C1R C6R 119.6(8) . . ?
C2R C1R C7R 122.4(8) . . ?
C6R C1R C7R 117.9(8) . . ?
C2R C1R C2S 64.4(6) . . ?
C6R C1R C2S 68.5(6) . . ?
C7R C1R C2S 144.1(7) . . ?
C3R C2R C1R 121.8(9) . . ?
C3R C2R C3S 63.5(7) . . ?
C1R C2R C3S 109.4(7) . . ?
C3R C2R C2S 67.7(7) . . ?
C1R C2R C2S 68.4(6) . . ?
C3S C2R C2S 48.7(5) . . ?
C3R C2R C4S 42.1(6) . . ?
C1R C2R C4S 152.1(8) . . ?
C3S C2R C4S 45.9(5) . . ?
C2S C2R C4S 83.8(6) . . ?
C28 C29 C30 119.7(4) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C27 C28 C29 119.9(4) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C28 C27 C26 121.1(4) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C27 C26 C25 119.8(4) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C30 C25 C26 118.2(4) . . ?
C30 C25 P1 116.7(3) . . ?
C26 C25 P1 125.0(3) . . ?
C17 C24 C23 104.6(3) . . ?
C17 C24 H24A 110.8 . . ?
C23 C24 H24A 110.8 . . ?
C17 C24 H24B 110.8 . . ?
C23 C24 H24B 110.8 . . ?
H24A C24 H24B 108.9 . . ?
C16 C23 C24 104.9(3) . . ?
C16 C23 H23A 110.8 . . ?
C24 C23 H23A 110.8 . . ?
C16 C23 H23B 110.8 . . ?
C24 C23 H23B 110.8 . . ?
H23A C23 H23B 108.8 . . ?
C16 C22 C17 111.7(3) . . ?
C16 C22 C21 123.9(3) . . ?
C17 C22 C21 124.4(3) . . ?
C22 C21 C2 116.5(3) . . ?
C22 C21 C20 114.7(3) . . ?
C2 C21 C20 128.8(3) . . ?
C19 C20 C21 119.3(3) . . ?
C19 C20 P2 120.0(3) . . ?
C21 C20 P2 120.5(3) . . ?
C5S C3R C6S 74.0(10) . . ?
C5S C3R C4S 69.4(9) . . ?
C6S C3R C4S 142.3(12) . . ?
C5S C3R C2R 127.0(11) . . ?
C6S C3R C2R 118.1(10) . . ?
C4S C3R C2R 91.7(8) . . ?
C5S C3R C4R 105.6(12) . . ?
C6S C3R C4R 48.1(7) . . ?
C4S C3R C4R 136.0(10) . . ?
C2R C3R C4R 120.4(11) . . ?
C5S C3R C3S 125.4(11) . . ?
C6S C3R C3S 153.8(11) . . ?
C4S C3R C3S 56.8(7) . . ?
C2R C3R C3S 67.0(7) . . ?
C4R C3R C3S 106.2(9) . . ?
C5S C3R C1S 131.9(11) . . ?
C6S C3R C1S 58.6(8) . . ?
C4S C3R C1S 153.0(10) . . ?
C2R C3R C1S 86.0(8) . . ?
C4R C3R C1S 34.7(6) . . ?
C3S C3R C1S 98.0(8) . . ?
C5S C3R C2S 165.7(11) . . ?
C6S C3R C2S 107.7(10) . . ?
C4S C3R C2S 105.5(9) . . ?
C2R C3R C2S 65.4(7) . . ?
C4R C3R C2S 68.2(8) . . ?
C3S C3R C2S 48.8(6) . . ?
C1S C3R C2S 49.4(6) . . ?
C38 C39 C40 119.8(4) . . ?
C38 C39 H39 120.1 . . ?
C40 C39 H39 120.1 . . ?
C39 C38 C37 121.3(4) . . ?
C39 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
C42 C37 C38 117.9(3) . . ?
C42 C37 P2 124.1(3) . . ?
C38 C37 P2 117.7(3) . . ?
C31 C36 C35 121.9(4) . . ?
C31 C36 H36 119.0 . . ?
C35 C36 H36 119.0 . . ?
C34 C35 C36 120.5(4) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C35 C34 C33 118.8(4) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
C34 C33 C32 120.7(4) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C33 C32 C31 121.3(4) . . ?
C33 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C36 C31 C32 116.7(4) . . ?
C36 C31 P1 125.4(3) . . ?
C32 C31 P1 117.6(3) . . ?
C25 C30 C29 121.2(4) . . ?
C25 C30 H30 119.4 . . ?
C29 C30 H30 119.4 . . ?
C1S C4R C6S 90.7(14) . . ?
C1S C4R C3R 85.2(14) . . ?
C6S C4R C3R 57.3(9) . . ?
C1S C4R C5R 33.4(11) . . ?
C6S C4R C5R 113.0(12) . . ?
C3R C4R C5R 118.0(12) . . ?
C1S C4R C2S 51.3(11) . . ?
C6S C4R C2S 112.1(11) . . ?
C3R C4R C2S 64.7(8) . . ?
C5R C4R C2S 67.2(9) . . ?
C1S C4R C5S 110.6(14) . . ?
C6S C4R C5S 42.3(8) . . ?
C3R C4R C5S 31.5(6) . . ?
C5R C4R C5S 143.5(10) . . ?
C2S C4R C5S 95.4(7) . . ?
C43 C48 C47 120.7(4) . . ?
C43 C48 H48 119.6 . . ?
C47 C48 H48 119.6 . . ?
C46 C47 C48 122.0(4) . . ?
C46 C47 H47 119.0 . . ?
C48 C47 H47 119.0 . . ?
C47 C46 C45 118.9(4) . . ?
C47 C46 H46 120.6 . . ?
C45 C46 H46 120.6 . . ?
C46 C45 C44 119.8(4) . . ?
C46 C45 H45 120.1 . . ?
C44 C45 H45 120.1 . . ?
C45 C44 C43 121.6(4) . . ?
C45 C44 H44 119.2 . . ?
C43 C44 H44 119.2 . . ?
C48 C43 C44 116.9(4) . . ?
C48 C43 P2 126.1(3) . . ?
C44 C43 P2 116.9(3) . . ?
C37 C42 C41 121.0(4) . . ?
C37 C42 H42 119.5 . . ?
C41 C42 H42 119.5 . . ?
C40 C41 C42 120.4(4) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C40 C39 119.6(4) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C7S C5R C1S 128(3) . . ?
C7S C5R C6R 74.6(19) . . ?
C1S C5R C6R 84.4(16) . . ?
C7S C5R C4R 140(2) . . ?
C1S C5R C4R 38.1(12) . . ?
C6R C5R C4R 121.7(12) . . ?
C7S C5R C2S 142(2) . . ?
C1S C5R C2S 49.2(11) . . ?
C6R C5R C2S 67.7(7) . . ?
C4R C5R C2S 66.1(9) . . ?
C5R C6R C7S 33.7(7) . . ?
C5R C6R C1R 118.4(10) . . ?
C7S C6R C1R 139.9(10) . . ?
C5R C6R C1S 32.0(6) . . ?
C7S C6R C1S 59.4(7) . . ?
C1R C6R C1S 86.6(8) . . ?
C5R C6R C2S 66.8(8) . . ?
C7S C6R C2S 100.5(9) . . ?
C1R C6R C2S 64.7(6) . . ?
C1S C6R C2S 48.7(6) . . ?
C7R C7R C1R 161.0(18) 2_675 . ?
C5R C1S C4R 108(2) . . ?
C5R C1S C2S 104.4(15) . . ?
C4R C1S C2S 97.8(14) . . ?
C5R C1S C6S 134.7(16) . . ?
C4R C1S C6S 49.2(10) . . ?
C2S C1S C6S 116.3(12) . . ?
C5R C1S C7S 25.9(14) . . ?
C4R C1S C7S 121.8(16) . . ?
C2S C1S C7S 120.0(13) . . ?
C6S C1S C7S 123.7(11) . . ?
C5R C1S C6R 63.6(14) . . ?
C4R C1S C6R 166.9(15) . . ?
C2S C1S C6R 75.4(8) . . ?
C6S C1S C6R 143.8(10) . . ?
C7S C1S C6R 55.8(9) . . ?
C5R C1S C3R 164.9(18) . . ?
C4R C1S C3R 60.1(12) . . ?
C2S C1S C3R 69.7(8) . . ?
C6S C1S C3R 47.0(7) . . ?
C7S C1S C3R 168.0(11) . . ?
C6R C1S C3R 125.4(9) . . ?
C3S C2S C1S 121.3(11) . . ?
C3S C2S C2R 63.7(7) . . ?
C1S C2S C2R 81.5(8) . . ?
C3S C2S C3R 60.8(7) . . ?
C1S C2S C3R 60.9(8) . . ?
C2R C2S C3R 46.9(5) . . ?
C3S C2S C1R 104.0(8) . . ?
C1S C2S C1R 79.3(8) . . ?
C2R C2S C1R 47.3(5) . . ?
C3R C2S C1R 87.2(6) . . ?
C3S C2S C4R 98.4(9) . . ?
C1S C2S C4R 30.9(6) . . ?
C2R C2S C4R 87.3(7) . . ?
C3R C2S C4R 47.1(6) . . ?
C1R C2S C4R 105.2(7) . . ?
C3S C2S C5R 145.0(10) . . ?
C1S C2S C5R 26.4(6) . . ?
C2R C2S C5R 104.3(7) . . ?
C3R C2S C5R 86.6(7) . . ?
C1R C2S C5R 85.5(7) . . ?
C4R C2S C5R 46.7(6) . . ?
C3S C2S C6R 150.1(8) . . ?
C1S C2S C6R 55.9(8) . . ?
C2R C2S C6R 87.2(6) . . ?
C3R C2S C6R 105.0(7) . . ?
C1R C2S C6R 46.8(5) . . ?
C4R C2S C6R 86.3(7) . . ?
C5R C2S C6R 45.4(6) . . ?
C2S C3S C4S 119.5(10) . . ?
C2S C3S C3R 70.4(8) . . ?
C4S C3S C3R 49.4(6) . . ?
C2S C3S C2R 67.6(7) . . ?
C4S C3S C2R 76.2(7) . . ?
C3R C3S C2R 49.6(5) . . ?
C3R C4S C5S 48.5(7) . . ?
C3R C4S C3S 73.8(9) . . ?
C5S C4S C3S 121.6(10) . . ?
C3R C4S C2R 46.2(6) . . ?
C5S C4S C2R 83.3(7) . . ?
C3S C4S C2R 57.9(6) . . ?
C3R C5S C4S 62.1(8) . . ?
C3R C5S C6S 57.9(8) . . ?
C4S C5S C6S 119.3(10) . . ?
C3R C5S C4R 42.9(8) . . ?
C4S C5S C4R 94.2(8) . . ?
C6S C5S C4R 31.6(5) . . ?
C4R C6S C3R 74.6(10) . . ?
C4R C6S C5S 106.1(12) . . ?
C3R C6S C5S 48.1(7) . . ?
C4R C6S C1S 40.1(8) . . ?
C3R C6S C1S 74.4(10) . . ?
C5S C6S C1S 121.9(11) . . ?
C5R C7S C6R 71.7(17) . . ?
C5R C7S C1S 26.3(14) . . ?
C6R C7S C1S 64.8(10) . . ?
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
Ge1 C2 1.977(4) . ?
Ge1 C1 1.979(4) . ?
Ge1 H1 1.56(3) . ?
Ge1 H2 1.77(3) . ?
P1 C31 1.828(4) . ?
P1 C25 1.843(4) . ?
P1 C9 1.844(4) . ?
C1 C3 1.393(5) . ?
C1 C10 1.443(5) . ?
P2 C37 1.841(4) . ?
P2 C20 1.846(4) . ?
P2 C43 1.847(4) . ?
C2 C14 1.394(5) . ?
C2 C21 1.439(5) . ?
C3 C4 1.418(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.350(6) . ?
C4 H4 0.9500 . ?
C5 C11 1.421(5) . ?
C5 C13 1.514(6) . ?
C6 C7 1.372(5) . ?
C6 C11 1.407(5) . ?
C6 C12 1.523(5) . ?
C7 C8 1.408(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.399(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.437(5) . ?
C10 C11 1.427(5) . ?
C12 C13 1.551(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.409(5) . ?
C14 H14 0.9500 . ?
C16 C15 1.364(5) . ?
C16 C22 1.406(5) . ?
C16 C23 1.521(5) . ?
C15 H15 0.9500 . ?
C17 C18 1.369(5) . ?
C17 C22 1.411(5) . ?
C17 C24 1.516(5) . ?
C19 C20 1.382(5) . ?
C19 C18 1.406(5) . ?
C19 H19 0.9500 . ?
C18 H18 0.9500 . ?
C1R C2R 1.397(12) . ?
C1R C6R 1.425(11) . ?
C1R C7R 1.541(11) . ?
C1R C2S 1.768(13) . ?
C2R C3R 1.376(13) . ?
C2R C3S 1.663(13) . ?
C2R C2S 1.715(13) . ?
C2R C4S 1.906(13) . ?
C29 C28 1.382(6) . ?
C29 C30 1.397(6) . ?
C29 H29 0.9500 . ?
C28 C27 1.375(6) . ?
C28 H28 0.9500 . ?
C27 C26 1.393(5) . ?
C27 H27 0.9500 . ?
C26 C25 1.409(6) . ?
C26 H26 0.9500 . ?
C25 C30 1.394(6) . ?
C24 C23 1.556(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C22 C21 1.424(5) . ?
C21 C20 1.442(5) . ?
C3R C5S 1.084(12) . ?
C3R C6S 1.234(14) . ?
C3R C4S 1.277(13) . ?
C3R C4R 1.414(15) . ?
C3R C3S 1.617(14) . ?
C3R C1S 1.626(18) . ?
C3R C2S 1.745(15) . ?
C39 C38 1.390(6) . ?
C39 C40 1.390(6) . ?
C39 H39 0.9500 . ?
C38 C37 1.396(5) . ?
C38 H38 0.9500 . ?
C37 C42 1.390(5) . ?
C36 C31 1.380(6) . ?
C36 C35 1.384(6) . ?
C36 H36 0.9500 . ?
C35 C34 1.368(6) . ?
C35 H35 0.9500 . ?
C34 C33 1.374(6) . ?
C34 H34 0.9500 . ?
C33 C32 1.383(6) . ?
C33 H33 0.9500 . ?
C32 C31 1.393(5) . ?
C32 H32 0.9500 . ?
C30 H30 0.9500 . ?
C4R C1S 0.929(13) . ?
C4R C6S 1.091(13) . ?
C4R C5R 1.428(18) . ?
C4R C2S 1.793(16) . ?
C4R C5S 2.000(16) . ?
C48 C43 1.370(5) . ?
C48 C47 1.385(6) . ?
C48 H48 0.9500 . ?
C47 C46 1.340(7) . ?
C47 H47 0.9500 . ?
C46 C45 1.377(6) . ?
C46 H46 0.9500 . ?
C45 C44 1.381(6) . ?
C45 H45 0.9500 . ?
C44 C43 1.396(6) . ?
C44 H44 0.9500 . ?
C42 C41 1.393(5) . ?
C42 H42 0.9500 . ?
C41 C40 1.378(6) . ?
C41 H41 0.9500 . ?
C40 H40 0.9500 . ?
C5R C7S 0.819(15) . ?
C5R C1S 0.829(13) . ?
C5R C6R 1.401(16) . ?
C5R C2S 1.807(17) . ?
C6R C7S 1.422(18) . ?
C6R C1S 1.557(17) . ?
C6R C2S 1.819(15) . ?
C7R C7R 0.896(14) 2_675 ?
C1S C2S 1.413(15) . ?
C1S C6S 1.442(16) . ?
C1S C7S 1.480(16) . ?
C2S C3S 1.395(14) . ?
C3S C4S 1.409(13) . ?
C4S C5S 1.353(13) . ?
C5S C6S 1.400(14) . ?
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
C10 C1 C3 C4 -0.3(6) . . . . ?
Ge1 C1 C3 C4 179.6(4) . . . . ?
C1 C3 C4 C5 -0.7(7) . . . . ?
C3 C4 C5 C11 -0.3(7) . . . . ?
C3 C4 C5 C13 179.0(5) . . . . ?
C11 C6 C7 C8 -1.1(6) . . . . ?
C12 C6 C7 C8 177.2(4) . . . . ?
C6 C7 C8 C9 -1.3(6) . . . . ?
C7 C8 C9 C10 1.9(6) . . . . ?
C7 C8 C9 P1 179.9(3) . . . . ?
C31 P1 C9 C8 58.1(3) . . . . ?
C25 P1 C9 C8 -48.2(3) . . . . ?
C31 P1 C9 C10 -123.9(3) . . . . ?
C25 P1 C9 C10 129.8(3) . . . . ?
C8 C9 C10 C11 0.0(5) . . . . ?
P1 C9 C10 C11 -178.1(3) . . . . ?
C8 C9 C10 C1 179.3(3) . . . . ?
P1 C9 C10 C1 1.3(5) . . . . ?
C3 C1 C10 C11 2.2(5) . . . . ?
Ge1 C1 C10 C11 -177.7(3) . . . . ?
C3 C1 C10 C9 -177.1(4) . . . . ?
Ge1 C1 C10 C9 3.0(6) . . . . ?
C7 C6 C11 C5 -175.6(4) . . . . ?
C12 C6 C11 C5 5.8(5) . . . . ?
C7 C6 C11 C10 3.0(6) . . . . ?
C12 C6 C11 C10 -175.6(4) . . . . ?
C4 C5 C11 C6 -179.0(4) . . . . ?
C13 C5 C11 C6 1.6(5) . . . . ?
C4 C5 C11 C10 2.4(7) . . . . ?
C13 C5 C11 C10 -177.0(4) . . . . ?
C9 C10 C11 C6 -2.4(5) . . . . ?
C1 C10 C11 C6 178.2(3) . . . . ?
C9 C10 C11 C5 176.1(4) . . . . ?
C1 C10 C11 C5 -3.4(6) . . . . ?
C7 C6 C12 C13 171.2(4) . . . . ?
C11 C6 C12 C13 -10.4(5) . . . . ?
C4 C5 C13 C12 172.7(5) . . . . ?
C11 C5 C13 C12 -8.0(5) . . . . ?
C6 C12 C13 C5 10.8(5) . . . . ?
C21 C2 C14 C15 1.3(6) . . . . ?
Ge1 C2 C14 C15 -174.8(4) . . . . ?
C22 C16 C15 C14 -2.4(6) . . . . ?
C23 C16 C15 C14 176.9(4) . . . . ?
C2 C14 C15 C16 2.3(7) . . . . ?
C22 C17 C18 C19 -2.0(5) . . . . ?
C24 C17 C18 C19 178.5(4) . . . . ?
C20 C19 C18 C17 1.8(6) . . . . ?
C6R C1R C2R C3R 1.2(12) . . . . ?
C7R C1R C2R C3R -177.2(8) . . . . ?
C2S C1R C2R C3R 43.4(9) . . . . ?
C6R C1R C2R C3S -69.0(9) . . . . ?
C7R C1R C2R C3S 112.6(9) . . . . ?
C2S C1R C2R C3S -26.8(6) . . . . ?
C6R C1R C2R C2S -42.2(7) . . . . ?
C7R C1R C2R C2S 139.4(8) . . . . ?
C6R C1R C2R C4S -44.8(18) . . . . ?
C7R C1R C2R C4S 136.9(14) . . . . ?
C2S C1R C2R C4S -2.6(15) . . . . ?
C30 C29 C28 C27 -0.1(6) . . . . ?
C29 C28 C27 C26 -1.6(6) . . . . ?
C28 C27 C26 C25 1.6(6) . . . . ?
C27 C26 C25 C30 0.3(6) . . . . ?
C27 C26 C25 P1 179.2(3) . . . . ?
C31 P1 C25 C30 157.1(3) . . . . ?
C9 P1 C25 C30 -96.3(3) . . . . ?
C31 P1 C25 C26 -21.8(4) . . . . ?
C9 P1 C25 C26 84.8(4) . . . . ?
C18 C17 C24 C23 -177.7(4) . . . . ?
C22 C17 C24 C23 2.8(4) . . . . ?
C15 C16 C23 C24 -177.5(5) . . . . ?
C22 C16 C23 C24 1.8(4) . . . . ?
C17 C24 C23 C16 -2.7(4) . . . . ?
C15 C16 C22 C17 179.3(4) . . . . ?
C23 C16 C22 C17 -0.1(4) . . . . ?
C15 C16 C22 C21 -1.1(6) . . . . ?
C23 C16 C22 C21 179.5(3) . . . . ?
C18 C17 C22 C16 178.7(3) . . . . ?
C24 C17 C22 C16 -1.7(4) . . . . ?
C18 C17 C22 C21 -0.9(5) . . . . ?
C24 C17 C22 C21 178.7(3) . . . . ?
C16 C22 C21 C2 4.6(5) . . . . ?
C17 C22 C21 C2 -175.8(3) . . . . ?
C16 C22 C21 C20 -175.6(3) . . . . ?
C17 C22 C21 C20 3.9(5) . . . . ?
C14 C2 C21 C22 -4.5(5) . . . . ?
Ge1 C2 C21 C22 170.9(3) . . . . ?
C14 C2 C21 C20 175.8(4) . . . . ?
Ge1 C2 C21 C20 -8.8(6) . . . . ?
C18 C19 C20 C21 1.4(6) . . . . ?
C18 C19 C20 P2 -172.9(3) . . . . ?
C22 C21 C20 C19 -4.0(5) . . . . ?
C2 C21 C20 C19 175.7(4) . . . . ?
C22 C21 C20 P2 170.3(2) . . . . ?
C2 C21 C20 P2 -10.0(5) . . . . ?
C37 P2 C20 C19 -75.6(3) . . . . ?
C43 P2 C20 C19 30.6(3) . . . . ?
C37 P2 C20 C21 110.2(3) . . . . ?
C43 P2 C20 C21 -143.7(3) . . . . ?
C1R C2R C3R C5S 144.8(12) . . . . ?
C3S C2R C3R C5S -117.9(14) . . . . ?
C2S C2R C3R C5S -171.6(15) . . . . ?
C4S C2R C3R C5S -65.3(13) . . . . ?
C1R C2R C3R C6S 54.1(15) . . . . ?
C3S C2R C3R C6S 151.5(13) . . . . ?
C2S C2R C3R C6S 97.8(12) . . . . ?
C4S C2R C3R C6S -156.0(16) . . . . ?
C1R C2R C3R C4S -149.9(9) . . . . ?
C3S C2R C3R C4S -52.6(7) . . . . ?
C2S C2R C3R C4S -106.3(8) . . . . ?
C1R C2R C3R C4R -1.5(15) . . . . ?
C3S C2R C3R C4R 95.8(11) . . . . ?
C2S C2R C3R C4R 42.1(10) . . . . ?
C4S C2R C3R C4R 148.4(14) . . . . ?
C1R C2R C3R C3S -97.3(9) . . . . ?
C2S C2R C3R C3S -53.7(6) . . . . ?
C4S C2R C3R C3S 52.6(7) . . . . ?
C1R C2R C3R C1S 3.1(10) . . . . ?
C3S C2R C3R C1S 100.4(7) . . . . ?
C2S C2R C3R C1S 46.8(6) . . . . ?
C4S C2R C3R C1S 153.0(10) . . . . ?
C1R C2R C3R C2S -43.6(8) . . . . ?
C3S C2R C3R C2S 53.7(6) . . . . ?
C4S C2R C3R C2S 106.3(8) . . . . ?
C40 C39 C38 C37 -1.7(6) . . . . ?
C39 C38 C37 C42 2.0(6) . . . . ?
C39 C38 C37 P2 176.0(3) . . . . ?
C20 P2 C37 C42 -9.3(4) . . . . ?
C43 P2 C37 C42 -114.0(3) . . . . ?
C20 P2 C37 C38 177.1(3) . . . . ?
C43 P2 C37 C38 72.4(3) . . . . ?
C31 C36 C35 C34 -0.6(9) . . . . ?
C36 C35 C34 C33 0.0(8) . . . . ?
C35 C34 C33 C32 -0.2(7) . . . . ?
C34 C33 C32 C31 1.0(7) . . . . ?
C35 C36 C31 C32 1.3(7) . . . . ?
C35 C36 C31 P1 175.1(4) . . . . ?
C33 C32 C31 C36 -1.5(6) . . . . ?
C33 C32 C31 P1 -175.8(3) . . . . ?
C25 P1 C31 C36 123.9(4) . . . . ?
C9 P1 C31 C36 17.5(4) . . . . ?
C25 P1 C31 C32 -62.4(3) . . . . ?
C9 P1 C31 C32 -168.7(3) . . . . ?
C26 C25 C30 C29 -2.0(6) . . . . ?
P1 C25 C30 C29 179.0(3) . . . . ?
C28 C29 C30 C25 2.0(6) . . . . ?
C5S C3R C4R C1S -144.5(13) . . . . ?
C6S C3R C4R C1S -93.9(13) . . . . ?
C4S C3R C4R C1S 139.2(16) . . . . ?
C2R C3R C4R C1S 8.1(15) . . . . ?
C3S C3R C4R C1S 80.5(12) . . . . ?
C2S C3R C4R C1S 49.2(11) . . . . ?
C5S C3R C4R C6S -50.6(12) . . . . ?
C4S C3R C4R C6S -126.9(18) . . . . ?
C2R C3R C4R C6S 102.0(13) . . . . ?
C3S C3R C4R C6S 174.4(12) . . . . ?
C1S C3R C4R C6S 93.9(13) . . . . ?
C2S C3R C4R C6S 143.1(11) . . . . ?
C5S C3R C4R C5R -151.2(12) . . . . ?
C6S C3R C4R C5R -100.6(13) . . . . ?
C4S C3R C4R C5R 132.5(15) . . . . ?
C2R C3R C4R C5R 1.4(16) . . . . ?
C3S C3R C4R C5R 73.8(12) . . . . ?
C1S C3R C4R C5R -6.7(10) . . . . ?
C2S C3R C4R C5R 42.5(11) . . . . ?
C5S C3R C4R C2S 166.3(11) . . . . ?
C6S C3R C4R C2S -143.1(11) . . . . ?
C4S C3R C4R C2S 90.0(16) . . . . ?
C2R C3R C4R C2S -41.1(9) . . . . ?
C3S C3R C4R C2S 31.3(7) . . . . ?
C1S C3R C4R C2S -49.2(11) . . . . ?
C6S C3R C4R C5S 50.6(12) . . . . ?
C4S C3R C4R C5S -76.3(16) . . . . ?
C2R C3R C4R C5S 152.6(16) . . . . ?
C3S C3R C4R C5S -135.0(13) . . . . ?
C1S C3R C4R C5S 144.5(13) . . . . ?
C2S C3R C4R C5S -166.3(11) . . . . ?
C43 C48 C47 C46 -2.1(9) . . . . ?
C48 C47 C46 C45 2.6(9) . . . . ?
C47 C46 C45 C44 -0.5(7) . . . . ?
C46 C45 C44 C43 -2.1(7) . . . . ?
C47 C48 C43 C44 -0.5(7) . . . . ?
C47 C48 C43 P2 -176.3(4) . . . . ?
C45 C44 C43 C48 2.6(6) . . . . ?
C45 C44 C43 P2 178.8(3) . . . . ?
C37 P2 C43 C48 -5.6(4) . . . . ?
C20 P2 C43 C48 -112.6(4) . . . . ?
C37 P2 C43 C44 178.6(3) . . . . ?
C20 P2 C43 C44 71.6(3) . . . . ?
C38 C37 C42 C41 -1.0(6) . . . . ?
P2 C37 C42 C41 -174.5(3) . . . . ?
C37 C42 C41 C40 -0.4(6) . . . . ?
C42 C41 C40 C39 0.8(6) . . . . ?
C38 C39 C40 C41 0.3(7) . . . . ?
C1S C4R C5R C7S 91(4) . . . . ?
C6S C4R C5R C7S 40(4) . . . . ?
C3R C4R C5R C7S 104(3) . . . . ?
C2S C4R C5R C7S 145(4) . . . . ?
C5S C4R C5R C7S 79(4) . . . . ?
C6S C4R C5R C1S -51.7(19) . . . . ?
C3R C4R C5R C1S 12.2(18) . . . . ?
C2S C4R C5R C1S 53.7(16) . . . . ?
C5S C4R C5R C1S -13(2) . . . . ?
C1S C4R C5R C6R -13.2(17) . . . . ?
C6S C4R C5R C6R -64.9(18) . . . . ?
C3R C4R C5R C6R -1.0(18) . . . . ?
C2S C4R C5R C6R 40.4(11) . . . . ?
C5S C4R C5R C6R -26(2) . . . . ?
C1S C4R C5R C2S -53.7(16) . . . . ?
C6S C4R C5R C2S -105.4(13) . . . . ?
C3R C4R C5R C2S -41.5(10) . . . . ?
C5S C4R C5R C2S -66.5(16) . . . . ?
C1S C5R C6R C7S 132(3) . . . . ?
C4R C5R C6R C7S 140(3) . . . . ?
C2S C5R C6R C7S 179.8(19) . . . . ?
C7S C5R C6R C1R -139.2(17) . . . . ?
C1S C5R C6R C1R -7.4(16) . . . . ?
C4R C5R C6R C1R 0.7(16) . . . . ?
C2S C5R C6R C1R 40.6(8) . . . . ?
C7S C5R C6R C1S -132(3) . . . . ?
C4R C5R C6R C1S 8.2(10) . . . . ?
C2S C5R C6R C1S 48.0(12) . . . . ?
C7S C5R C6R C2S -179.8(19) . . . . ?
C1S C5R C6R C2S -48.0(12) . . . . ?
C4R C5R C6R C2S -39.8(11) . . . . ?
C2R C1R C6R C5R -0.8(12) . . . . ?
C7R C1R C6R C5R 177.7(9) . . . . ?
C2S C1R C6R C5R -41.4(9) . . . . ?
C2R C1R C6R C7S -35.0(18) . . . . ?
C7R C1R C6R C7S 143.4(15) . . . . ?
C2S C1R C6R C7S -75.7(16) . . . . ?
C2R C1R C6R C1S -4.7(9) . . . . ?
C7R C1R C6R C1S 173.7(7) . . . . ?
C2S C1R C6R C1S -45.3(6) . . . . ?
C2R C1R C6R C2S 40.6(7) . . . . ?
C7R C1R C6R C2S -140.9(8) . . . . ?
C2R C1R C7R C7R -4(6) . . . 2_675 ?
C6R C1R C7R C7R 178(5) . . . 2_675 ?
C2S C1R C7R C7R 86(5) . . . 2_675 ?
C7S C5R C1S C4R -126(3) . . . . ?
C6R C5R C1S C4R 168.7(14) . . . . ?
C2S C5R C1S C4R 103.4(19) . . . . ?
C7S C5R C1S C2S 131(3) . . . . ?
C6R C5R C1S C2S 65.3(12) . . . . ?
C4R C5R C1S C2S -103.4(19) . . . . ?
C7S C5R C1S C6S -75(4) . . . . ?
C6R C5R C1S C6S -141(2) . . . . ?
C4R C5R C1S C6S 50.3(18) . . . . ?
C2S C5R C1S C6S 154(3) . . . . ?
C6R C5R C1S C7S -66(3) . . . . ?
C4R C5R C1S C7S 126(3) . . . . ?
C2S C5R C1S C7S -131(3) . . . . ?
C7S C5R C1S C6R 66(3) . . . . ?
C4R C5R C1S C6R -168.7(14) . . . . ?
C2S C5R C1S C6R -65.3(12) . . . . ?
C7S C5R C1S C3R -164(5) . . . . ?
C6R C5R C1S C3R 130(6) . . . . ?
C4R C5R C1S C3R -39(6) . . . . ?
C2S C5R C1S C3R 65(6) . . . . ?
C6S C4R C1S C5R 133.7(17) . . . . ?
C3R C4R C1S C5R -169.2(16) . . . . ?
C2S C4R C1S C5R -108.0(19) . . . . ?
C5S C4R C1S C5R 171.9(14) . . . . ?
C6S C4R C1S C2S -118.2(11) . . . . ?
C3R C4R C1S C2S -61.1(10) . . . . ?
C5R C4R C1S C2S 108.0(19) . . . . ?
C5S C4R C1S C2S -80.0(11) . . . . ?
C3R C4R C1S C6S 57.1(9) . . . . ?
C5R C4R C1S C6S -133.7(17) . . . . ?
C2S C4R C1S C6S 118.2(11) . . . . ?
C5S C4R C1S C6S 38.2(9) . . . . ?
C6S C4R C1S C7S 109.1(15) . . . . ?
C3R C4R C1S C7S 166.2(13) . . . . ?
C5R C4R C1S C7S -24.7(15) . . . . ?
C2S C4R C1S C7S -132.7(18) . . . . ?
C5S C4R C1S C7S 147.3(11) . . . . ?
C6S C4R C1S C6R -176(7) . . . . ?
C3R C4R C1S C6R -119(7) . . . . ?
C5R C4R C1S C6R 51(7) . . . . ?
C2S C4R C1S C6R -57(7) . . . . ?
C5S C4R C1S C6R -137(7) . . . . ?
C6S C4R C1S C3R -57.1(9) . . . . ?
C5R C4R C1S C3R 169.2(16) . . . . ?
C2S C4R C1S C3R 61.1(10) . . . . ?
C5S C4R C1S C3R -18.9(7) . . . . ?
C7S C6R C1S C5R -28.7(16) . . . . ?
C1R C6R C1S C5R 173.5(14) . . . . ?
C2S C6R C1S C5R 114.6(16) . . . . ?
C5R C6R C1S C4R -55(7) . . . . ?
C7S C6R C1S C4R -84(7) . . . . ?
C1R C6R C1S C4R 118(7) . . . . ?
C2S C6R C1S C4R 60(7) . . . . ?
C5R C6R C1S C2S -114.6(16) . . . . ?
C7S C6R C1S C2S -143.3(11) . . . . ?
C1R C6R C1S C2S 58.9(7) . . . . ?
C5R C6R C1S C6S 131(2) . . . . ?
C7S C6R C1S C6S 101.9(19) . . . . ?
C1R C6R C1S C6S -55.9(18) . . . . ?
C2S C6R C1S C6S -115(2) . . . . ?
C5R C6R C1S C7S 28.7(16) . . . . ?
C1R C6R C1S C7S -157.8(10) . . . . ?
C2S C6R C1S C7S 143.3(11) . . . . ?
C5R C6R C1S C3R -165.9(19) . . . . ?
C7S C6R C1S C3R 165.4(13) . . . . ?
C1R C6R C1S C3R 7.6(10) . . . . ?
C2S C6R C1S C3R -51.3(9) . . . . ?
C5S C3R C1S C5R 92(6) . . . . ?
C6S C3R C1S C5R 104(6) . . . . ?
C4S C3R C1S C5R -44(7) . . . . ?
C2R C3R C1S C5R -130(6) . . . . ?
C4R C3R C1S C5R 43(6) . . . . ?
C3S C3R C1S C5R -64(6) . . . . ?
C2S C3R C1S C5R -69(6) . . . . ?
C5S C3R C1S C4R 48.7(17) . . . . ?
C6S C3R C1S C4R 60.4(11) . . . . ?
C4S C3R C1S C4R -87(2) . . . . ?
C2R C3R C1S C4R -173.0(13) . . . . ?
C3S C3R C1S C4R -107.0(12) . . . . ?
C2S C3R C1S C4R -112.3(14) . . . . ?
C5S C3R C1S C2S 161.0(14) . . . . ?
C6S C3R C1S C2S 172.7(11) . . . . ?
C4S C3R C1S C2S 25(2) . . . . ?
C2R C3R C1S C2S -60.7(7) . . . . ?
C4R C3R C1S C2S 112.3(14) . . . . ?
C3S C3R C1S C2S 5.3(8) . . . . ?
C5S C3R C1S C6S -11.7(13) . . . . ?
C4S C3R C1S C6S -147(2) . . . . ?
C2R C3R C1S C6S 126.6(10) . . . . ?
C4R C3R C1S C6S -60.4(11) . . . . ?
C3S C3R C1S C6S -167.4(10) . . . . ?
C2S C3R C1S C6S -172.7(11) . . . . ?
C5S C3R C1S C7S -54(7) . . . . ?
C6S C3R C1S C7S -42(6) . . . . ?
C4S C3R C1S C7S 170(5) . . . . ?
C2R C3R C1S C7S 84(6) . . . . ?
C4R C3R C1S C7S -103(6) . . . . ?
C3S C3R C1S C7S 150(6) . . . . ?
C2S C3R C1S C7S 145(6) . . . . ?
C5S C3R C1S C6R -145.4(13) . . . . ?
C6S C3R C1S C6R -133.8(12) . . . . ?
C4S C3R C1S C6R 79(2) . . . . ?
C2R C3R C1S C6R -7.2(11) . . . . ?
C4R C3R C1S C6R 165.9(17) . . . . ?
C3S C3R C1S C6R 58.9(11) . . . . ?
C2S C3R C1S C6R 53.6(9) . . . . ?
C5R C1S C2S C3S 158.3(16) . . . . ?
C4R C1S C2S C3S 46.9(17) . . . . ?
C6S C1S C2S C3S -1.1(16) . . . . ?
C7S C1S C2S C3S -179.2(12) . . . . ?
C6R C1S C2S C3S -144.5(10) . . . . ?
C3R C1S C2S C3S -7.1(10) . . . . ?
C5R C1S C2S C2R -149.6(17) . . . . ?
C4R C1S C2S C2R 99.0(13) . . . . ?
C6S C1S C2S C2R 50.9(11) . . . . ?
C7S C1S C2S C2R -127.2(13) . . . . ?
C6R C1S C2S C2R -92.4(6) . . . . ?
C3R C1S C2S C2R 44.9(6) . . . . ?
C5R C1S C2S C3R 165.5(19) . . . . ?
C4R C1S C2S C3R 54.1(12) . . . . ?
C6S C1S C2S C3R 6.0(9) . . . . ?
C7S C1S C2S C3R -172.1(15) . . . . ?
C6R C1S C2S C3R -137.3(8) . . . . ?
C5R C1S C2S C1R -101.7(17) . . . . ?
C4R C1S C2S C1R 146.9(14) . . . . ?
C6S C1S C2S C1R 98.8(11) . . . . ?
C7S C1S C2S C1R -79.2(13) . . . . ?
C6R C1S C2S C1R -44.5(6) . . . . ?
C3R C1S C2S C1R 92.8(6) . . . . ?
C5R C1S C2S C4R 111(2) . . . . ?
C6S C1S C2S C4R -48.1(11) . . . . ?
C7S C1S C2S C4R 134(2) . . . . ?
C6R C1S C2S C4R 168.6(16) . . . . ?
C3R C1S C2S C4R -54.1(12) . . . . ?
C4R C1S C2S C5R -111(2) . . . . ?
C6S C1S C2S C5R -159(2) . . . . ?
C7S C1S C2S C5R 22.4(16) . . . . ?
C6R C1S C2S C5R 57.2(15) . . . . ?
C3R C1S C2S C5R -165.5(19) . . . . ?
C5R C1S C2S C6R -57.2(15) . . . . ?
C4R C1S C2S C6R -168.6(16) . . . . ?
C6S C1S C2S C6R 143.3(13) . . . . ?
C7S C1S C2S C6R -34.8(11) . . . . ?
C3R C1S C2S C6R 137.3(8) . . . . ?
C3R C2R C2S C3S 73.6(8) . . . . ?
C1R C2R C2S C3S -145.5(8) . . . . ?
C4S C2R C2S C3S 33.3(6) . . . . ?
C3R C2R C2S C1S -57.7(8) . . . . ?
C1R C2R C2S C1S 83.2(9) . . . . ?
C3S C2R C2S C1S -131.3(10) . . . . ?
C4S C2R C2S C1S -98.0(8) . . . . ?
C1R C2R C2S C3R 140.9(8) . . . . ?
C3S C2R C2S C3R -73.6(8) . . . . ?
C4S C2R C2S C3R -40.3(6) . . . . ?
C3R C2R C2S C1R -140.9(8) . . . . ?
C3S C2R C2S C1R 145.5(8) . . . . ?
C4S C2R C2S C1R 178.8(7) . . . . ?
C3R C2R C2S C4R -27.2(7) . . . . ?
C1R C2R C2S C4R 113.7(7) . . . . ?
C3S C2R C2S C4R -100.8(8) . . . . ?
C4S C2R C2S C4R -67.5(7) . . . . ?
C3R C2R C2S C5R -71.1(8) . . . . ?
C1R C2R C2S C5R 69.8(8) . . . . ?
C3S C2R C2S C5R -144.7(10) . . . . ?
C4S C2R C2S C5R -111.5(8) . . . . ?
C3R C2R C2S C6R -113.6(7) . . . . ?
C1R C2R C2S C6R 27.3(5) . . . . ?
C3S C2R C2S C6R 172.8(8) . . . . ?
C4S C2R C2S C6R -154.0(6) . . . . ?
C5S C3R C2S C3S 72(5) . . . . ?
C6S C3R C2S C3S 166.4(11) . . . . ?
C4S C3R C2S C3S 4.6(8) . . . . ?
C2R C3R C2S C3S -80.1(7) . . . . ?
C4R C3R C2S C3S 138.4(9) . . . . ?
C1S C3R C2S C3S 173.0(10) . . . . ?
C5S C3R C2S C1S -101(5) . . . . ?
C6S C3R C2S C1S -6.6(10) . . . . ?
C4S C3R C2S C1S -168.4(11) . . . . ?
C2R C3R C2S C1S 106.9(9) . . . . ?
C4R C3R C2S C1S -34.6(7) . . . . ?
C3S C3R C2S C1S -173.0(10) . . . . ?
C5S C3R C2S C2R 152(5) . . . . ?
C6S C3R C2S C2R -113.5(10) . . . . ?
C4S C3R C2S C2R 84.7(9) . . . . ?
C4R C3R C2S C2R -141.5(9) . . . . ?
C3S C3R C2S C2R 80.1(7) . . . . ?
C1S C3R C2S C2R -106.9(9) . . . . ?
C5S C3R C2S C1R 179(5) . . . . ?
C6S C3R C2S C1R -85.8(9) . . . . ?
C4S C3R C2S C1R 112.3(8) . . . . ?
C2R C3R C2S C1R 27.6(6) . . . . ?
C4R C3R C2S C1R -113.8(8) . . . . ?
C3S C3R C2S C1R 107.7(7) . . . . ?
C1S C3R C2S C1R -79.2(8) . . . . ?
C5S C3R C2S C4R -67(5) . . . . ?
C6S C3R C2S C4R 28.0(8) . . . . ?
C4S C3R C2S C4R -133.8(11) . . . . ?
C2R C3R C2S C4R 141.5(9) . . . . ?
C3S C3R C2S C4R -138.4(9) . . . . ?
C1S C3R C2S C4R 34.6(7) . . . . ?
C5S C3R C2S C5R -95(5) . . . . ?
C6S C3R C2S C5R -0.2(10) . . . . ?
C4S C3R C2S C5R -162.0(9) . . . . ?
C2R C3R C2S C5R 113.3(8) . . . . ?
C4R C3R C2S C5R -28.2(7) . . . . ?
C3S C3R C2S C5R -166.6(9) . . . . ?
C1S C3R C2S C5R 6.4(8) . . . . ?
C5S C3R C2S C6R -137(5) . . . . ?
C6S C3R C2S C6R -42.1(10) . . . . ?
C4S C3R C2S C6R 156.0(8) . . . . ?
C2R C3R C2S C6R 71.3(7) . . . . ?
C4R C3R C2S C6R -70.1(8) . . . . ?
C3S C3R C2S C6R 151.4(9) . . . . ?
C1S C3R C2S C6R -35.5(8) . . . . ?
C2R C1R C2S C3S 31.5(8) . . . . ?
C6R C1R C2S C3S 172.7(9) . . . . ?
C7R C1R C2S C3S -79.0(15) . . . . ?
C2R C1R C2S C1S -88.3(9) . . . . ?
C6R C1R C2S C1S 52.8(8) . . . . ?
C7R C1R C2S C1S 161.1(13) . . . . ?
C6R C1R C2S C2R 141.1(7) . . . . ?
C7R C1R C2S C2R -110.6(14) . . . . ?
C2R C1R C2S C3R -27.4(6) . . . . ?
C6R C1R C2S C3R 113.7(7) . . . . ?
C7R C1R C2S C3R -138.0(12) . . . . ?
C2R C1R C2S C4R -71.4(8) . . . . ?
C6R C1R C2S C4R 69.7(8) . . . . ?
C7R C1R C2S C4R 178.0(12) . . . . ?
C2R C1R C2S C5R -114.2(8) . . . . ?
C6R C1R C2S C5R 26.9(7) . . . . ?
C7R C1R C2S C5R 135.2(13) . . . . ?
C2R C1R C2S C6R -141.1(7) . . . . ?
C7R C1R C2S C6R 108.3(14) . . . . ?
C1S C4R C2S C3S -140.9(15) . . . . ?
C6S C4R C2S C3S -68.9(13) . . . . ?
C3R C4R C2S C3S -35.8(8) . . . . ?
C5R C4R C2S C3S -175.5(10) . . . . ?
C5S C4R C2S C3S -28.7(8) . . . . ?
C6S C4R C2S C1S 72.0(16) . . . . ?
C3R C4R C2S C1S 105.1(15) . . . . ?
C5R C4R C2S C1S -34.6(13) . . . . ?
C5S C4R C2S C1S 112.2(15) . . . . ?
C1S C4R C2S C2R -78.0(14) . . . . ?
C6S C4R C2S C2R -6.0(13) . . . . ?
C3R C4R C2S C2R 27.1(7) . . . . ?
C5R C4R C2S C2R -112.6(9) . . . . ?
C5S C4R C2S C2R 34.2(6) . . . . ?
C1S C4R C2S C3R -105.1(15) . . . . ?
C6S C4R C2S C3R -33.1(11) . . . . ?
C5R C4R C2S C3R -139.7(10) . . . . ?
C5S C4R C2S C3R 7.1(6) . . . . ?
C1S C4R C2S C1R -33.8(14) . . . . ?
C6S C4R C2S C1R 38.2(14) . . . . ?
C3R C4R C2S C1R 71.3(8) . . . . ?
C5R C4R C2S C1R -68.4(9) . . . . ?
C5S C4R C2S C1R 78.4(8) . . . . ?
C1S C4R C2S C5R 34.6(13) . . . . ?
C6S C4R C2S C5R 106.6(14) . . . . ?
C3R C4R C2S C5R 139.7(10) . . . . ?
C5S C4R C2S C5R 146.8(9) . . . . ?
C1S C4R C2S C6R 9.4(13) . . . . ?
C6S C4R C2S C6R 81.4(12) . . . . ?
C3R C4R C2S C6R 114.5(7) . . . . ?
C5R C4R C2S C6R -25.2(7) . . . . ?
C5S C4R C2S C6R 121.6(6) . . . . ?
C7S C5R C2S C3S -135(3) . . . . ?
C1S C5R C2S C3S -33(2) . . . . ?
C6R C5R C2S C3S -135.7(15) . . . . ?
C4R C5R C2S C3S 7.7(17) . . . . ?
C7S C5R C2S C1S -102(4) . . . . ?
C6R C5R C2S C1S -102.4(18) . . . . ?
C4R C5R C2S C1S 41.0(15) . . . . ?
C7S C5R C2S C2R -71(3) . . . . ?
C1S C5R C2S C2R 31.1(17) . . . . ?
C6R C5R C2S C2R -71.3(8) . . . . ?
C4R C5R C2S C2R 72.1(9) . . . . ?
C7S C5R C2S C3R -115(3) . . . . ?
C1S C5R C2S C3R -12.7(16) . . . . ?
C6R C5R C2S C3R -115.0(7) . . . . ?
C4R C5R C2S C3R 28.4(7) . . . . ?
C7S C5R C2S C1R -27(3) . . . . ?
C1S C5R C2S C1R 74.8(17) . . . . ?
C6R C5R C2S C1R -27.5(6) . . . . ?
C4R C5R C2S C1R 115.9(8) . . . . ?
C7S C5R C2S C4R -143(4) . . . . ?
C1S C5R C2S C4R -41.0(15) . . . . ?
C6R C5R C2S C4R -143.4(10) . . . . ?
C7S C5R C2S C6R 0(3) . . . . ?
C1S C5R C2S C6R 102.4(18) . . . . ?
C4R C5R C2S C6R 143.4(10) . . . . ?
C5R C6R C2S C3S 126.3(19) . . . . ?
C7S C6R C2S C3S 126.2(18) . . . . ?
C1R C6R C2S C3S -14.4(17) . . . . ?
C1S C6R C2S C3S 94.7(19) . . . . ?
C5R C6R C2S C1S 31.6(8) . . . . ?
C7S C6R C2S C1S 31.5(9) . . . . ?
C1R C6R C2S C1S -109.1(9) . . . . ?
C5R C6R C2S C2R 113.3(8) . . . . ?
C7S C6R C2S C2R 113.1(9) . . . . ?
C1R C6R C2S C2R -27.5(5) . . . . ?
C1S C6R C2S C2R 81.6(8) . . . . ?
C5R C6R C2S C3R 69.5(9) . . . . ?
C7S C6R C2S C3R 69.3(10) . . . . ?
C1R C6R C2S C3R -71.3(7) . . . . ?
C1S C6R C2S C3R 37.8(8) . . . . ?
C5R C6R C2S C1R 140.7(9) . . . . ?
C7S C6R C2S C1R 140.6(9) . . . . ?
C1S C6R C2S C1R 109.1(9) . . . . ?
C5R C6R C2S C4R 25.8(8) . . . . ?
C7S C6R C2S C4R 25.7(9) . . . . ?
C1R C6R C2S C4R -115.0(7) . . . . ?
C1S C6R C2S C4R -5.8(8) . . . . ?
C7S C6R C2S C5R -0.1(11) . . . . ?
C1R C6R C2S C5R -140.7(9) . . . . ?
C1S C6R C2S C5R -31.6(8) . . . . ?
C1S C2S C3S C4S 2.5(15) . . . . ?
C2R C2S C3S C4S -57.9(9) . . . . ?
C3R C2S C3S C4S -4.6(8) . . . . ?
C1R C2S C3S C4S -83.3(10) . . . . ?
C4R C2S C3S C4S 24.8(11) . . . . ?
C5R C2S C3S C4S 19(2) . . . . ?
C6R C2S C3S C4S -73(2) . . . . ?
C1S C2S C3S C3R 7.1(10) . . . . ?
C2R C2S C3S C3R -53.3(5) . . . . ?
C1R C2S C3S C3R -78.7(7) . . . . ?
C4R C2S C3S C3R 29.4(7) . . . . ?
C5R C2S C3S C3R 23.7(15) . . . . ?
C6R C2S C3S C3R -67.9(17) . . . . ?
C1S C2S C3S C2R 60.4(10) . . . . ?
C3R C2S C3S C2R 53.3(5) . . . . ?
C1R C2S C3S C2R -25.4(6) . . . . ?
C4R C2S C3S C2R 82.7(7) . . . . ?
C5R C2S C3S C2R 77.0(15) . . . . ?
C6R C2S C3S C2R -14.6(17) . . . . ?
C5S C3R C3S C2S -163.2(13) . . . . ?
C6S C3R C3S C2S -30(2) . . . . ?
C4S C3R C3S C2S -174.7(9) . . . . ?
C2R C3R C3S C2S 76.8(7) . . . . ?
C4R C3R C3S C2S -39.9(9) . . . . ?
C1S C3R C3S C2S -5.3(8) . . . . ?
C5S C3R C3S C4S 11.5(11) . . . . ?
C6S C3R C3S C4S 144(3) . . . . ?
C2R C3R C3S C4S -108.5(9) . . . . ?
C4R C3R C3S C4S 134.8(11) . . . . ?
C1S C3R C3S C4S 169.4(10) . . . . ?
C2S C3R C3S C4S 174.7(9) . . . . ?
C5S C3R C3S C2R 120.0(14) . . . . ?
C6S C3R C3S C2R -107(2) . . . . ?
C4S C3R C3S C2R 108.5(9) . . . . ?
C4R C3R C3S C2R -116.7(11) . . . . ?
C1S C3R C3S C2R -82.2(8) . . . . ?
C2S C3R C3S C2R -76.8(7) . . . . ?
C3R C2R C3S C2S -82.8(8) . . . . ?
C1R C2R C3S C2S 33.9(8) . . . . ?
C4S C2R C3S C2S -130.6(9) . . . . ?
C3R C2R C3S C4S 47.8(7) . . . . ?
C1R C2R C3S C4S 164.5(8) . . . . ?
C2S C2R C3S C4S 130.6(9) . . . . ?
C1R C2R C3S C3R 116.7(9) . . . . ?
C2S C2R C3S C3R 82.8(8) . . . . ?
C4S C2R C3S C3R -47.8(7) . . . . ?
C6S C3R C4S C5S 14.9(16) . . . . ?
C2R C3R C4S C5S -129.1(10) . . . . ?
C4R C3R C4S C5S 91.4(17) . . . . ?
C3S C3R C4S C5S 170.0(10) . . . . ?
C1S C3R C4S C5S 146(3) . . . . ?
C2S C3R C4S C5S 165.9(11) . . . . ?
C5S C3R C4S C3S -170.0(10) . . . . ?
C6S C3R C4S C3S -155.1(18) . . . . ?
C2R C3R C4S C3S 60.8(7) . . . . ?
C4R C3R C4S C3S -78.6(16) . . . . ?
C1S C3R C4S C3S -24(2) . . . . ?
C2S C3R C4S C3S -4.1(7) . . . . ?
C5S C3R C4S C2R 129.1(10) . . . . ?
C6S C3R C4S C2R 144(2) . . . . ?
C4R C3R C4S C2R -139.5(19) . . . . ?
C3S C3R C4S C2R -60.8(7) . . . . ?
C1S C3R C4S C2R -85(2) . . . . ?
C2S C3R C4S C2R -65.0(7) . . . . ?
C2S C3S C4S C3R 5.7(10) . . . . ?
C2R C3S C4S C3R -48.0(7) . . . . ?
C2S C3S C4S C5S -3.0(14) . . . . ?
C3R C3S C4S C5S -8.8(8) . . . . ?
C2R C3S C4S C5S -56.8(9) . . . . ?
C2S C3S C4S C2R 53.8(9) . . . . ?
C3R C3S C4S C2R 48.0(7) . . . . ?
C6S C3R C5S C4S -170.6(10) . . . . ?
C2R C3R C5S C4S 76.0(12) . . . . ?
C4R C3R C5S C4S -133.8(10) . . . . ?
C3S C3R C5S C4S -10.2(10) . . . . ?
C1S C3R C5S C4S -160.2(15) . . . . ?
C2S C3R C5S C4S -71(5) . . . . ?
C4S C3R C5S C6S 170.6(10) . . . . ?
C2R C3R C5S C6S -113.5(14) . . . . ?
C4R C3R C5S C6S 36.7(8) . . . . ?
C3S C3R C5S C6S 160.3(14) . . . . ?
C1S C3R C5S C6S 10.4(12) . . . . ?
C2S C3R C5S C6S 99(5) . . . . ?
C6S C3R C5S C4R -36.7(8) . . . . ?
C4S C3R C5S C4R 133.8(10) . . . . ?
C2R C3R C5S C4R -150.2(17) . . . . ?
C3S C3R C5S C4R 123.6(15) . . . . ?
C1S C3R C5S C4R -26.4(9) . . . . ?
C2S C3R C5S C4R 62(4) . . . . ?
C3S C4S C5S C3R 11.3(11) . . . . ?
C2R C4S C5S C3R -34.3(8) . . . . ?
C3R C4S C5S C6S -9.2(9) . . . . ?
C3S C4S C5S C6S 2.1(14) . . . . ?
C2R C4S C5S C6S -43.5(9) . . . . ?
C3R C4S C5S C4R -29.5(8) . . . . ?
C3S C4S C5S C4R -18.3(10) . . . . ?
C2R C4S C5S C4R -63.8(6) . . . . ?
C1S C4R C6S C3R 83.8(14) . . . . ?
C5R C4R C6S C3R 109.5(13) . . . . ?
C2S C4R C6S C3R 35.9(11) . . . . ?
C5S C4R C6S C3R -36.8(8) . . . . ?
C1S C4R C6S C5S 120.7(13) . . . . ?
C3R C4R C6S C5S 36.8(8) . . . . ?
C5R C4R C6S C5S 146.3(10) . . . . ?
C2S C4R C6S C5S 72.7(13) . . . . ?
C3R C4R C6S C1S -83.8(14) . . . . ?
C5R C4R C6S C1S 25.6(10) . . . . ?
C2S C4R C6S C1S -48.0(12) . . . . ?
C5S C4R C6S C1S -120.7(13) . . . . ?
C5S C3R C6S C4R 129.3(12) . . . . ?
C4S C3R C6S C4R 114.7(19) . . . . ?
C2R C3R C6S C4R -107.0(13) . . . . ?
C3S C3R C6S C4R -12(3) . . . . ?
C1S C3R C6S C4R -41.7(8) . . . . ?
C2S C3R C6S C4R -35.9(11) . . . . ?
C4S C3R C6S C5S -14.5(15) . . . . ?
C2R C3R C6S C5S 123.8(14) . . . . ?
C4R C3R C6S C5S -129.3(12) . . . . ?
C3S C3R C6S C5S -142(3) . . . . ?
C1S C3R C6S C5S -171.0(10) . . . . ?
C2S C3R C6S C5S -165.1(11) . . . . ?
C5S C3R C6S C1S 171.0(10) . . . . ?
C4S C3R C6S C1S 156.5(18) . . . . ?
C2R C3R C6S C1S -65.2(12) . . . . ?
C4R C3R C6S C1S 41.7(8) . . . . ?
C3S C3R C6S C1S 29(2) . . . . ?
C2S C3R C6S C1S 5.9(9) . . . . ?
C3R C5S C6S C4R -51.0(12) . . . . ?
C4S C5S C6S C4R -41.4(15) . . . . ?
C4S C5S C6S C3R 9.6(10) . . . . ?
C4R C5S C6S C3R 51.0(12) . . . . ?
C3R C5S C6S C1S -10.2(12) . . . . ?
C4S C5S C6S C1S -0.7(15) . . . . ?
C4R C5S C6S C1S 40.7(10) . . . . ?
C5R C1S C6S C4R -75(3) . . . . ?
C2S C1S C6S C4R 76.8(15) . . . . ?
C7S C1S C6S C4R -105.2(19) . . . . ?
C6R C1S C6S C4R 178(3) . . . . ?
C3R C1S C6S C4R 84.5(14) . . . . ?
C5R C1S C6S C3R -159(3) . . . . ?
C4R C1S C6S C3R -84.5(14) . . . . ?
C2S C1S C6S C3R -7.7(12) . . . . ?
C7S C1S C6S C3R 170.3(15) . . . . ?
C6R C1S C6S C3R 93.8(19) . . . . ?
C5R C1S C6S C5S -151(2) . . . . ?
C4R C1S C6S C5S -76.6(16) . . . . ?
C2S C1S C6S C5S 0.2(17) . . . . ?
C7S C1S C6S C5S 178.2(12) . . . . ?
C6R C1S C6S C5S 101.7(19) . . . . ?
C3R C1S C6S C5S 7.9(9) . . . . ?
C1S C5R C7S C6R -70(3) . . . . ?
C4R C5R C7S C6R -121(3) . . . . ?
C2S C5R C7S C6R 0(3) . . . . ?
C6R C5R C7S C1S 70(3) . . . . ?
C4R C5R C7S C1S -51(3) . . . . ?
C2S C5R C7S C1S 70(3) . . . . ?
C1R C6R C7S C5R 63(3) . . . . ?
C1S C6R C7S C5R 27.3(15) . . . . ?
C2S C6R C7S C5R 0.2(18) . . . . ?
C5R C6R C7S C1S -27.3(15) . . . . ?
C1R C6R C7S C1S 35.9(17) . . . . ?
C2S C6R C7S C1S -27.2(8) . . . . ?
C4R C1S C7S C5R 65(3) . . . . ?
C2S C1S C7S C5R -58(3) . . . . ?
C6S C1S C7S C5R 124(3) . . . . ?
C6R C1S C7S C5R -100(3) . . . . ?
C3R C1S C7S C5R 160(7) . . . . ?
C5R C1S C7S C6R 100(3) . . . . ?
C4R C1S C7S C6R 164.6(17) . . . . ?
C2S C1S C7S C6R 41.8(12) . . . . ?
C6S C1S C7S C6R -136.1(13) . . . . ?
C3R C1S C7S C6R -100(6) . . . . ?
