#------------------------------------------------------------------------------
#$Date: 2026-05-05 11:29:38 +0200 (Tue 05 de May de 2026) $
#$Revision: 305840 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/43/7064359.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_7064359
loop_
_publ_author_name
'Alpatova, Victoria M.'
'Rys, Evgeny G.'
'Smol’yakov, Alexander F.'
'Kononova, Elena G.'
'Ol'shevskaya, Valentina A.'
_publ_section_title
;
 Carborane isothiocyanates: synthesis, characterization and conjugation
 with N-nucleophiles
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6197
_journal_page_last               6204
_journal_paper_doi               10.1039/D6NJ00718J
_journal_volume                  50
_journal_year                    2026
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C9 H24 B10 N2 O3 S'
_chemical_formula_sum            'C9 H24 B10 N2 O3 S'
_chemical_formula_weight         348.46
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2026-01-19
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2026-02-04 deposited with the CCDC.	2026-03-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.084(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6763(3)
_cell_length_b                   23.3782(9)
_cell_length_c                   10.1930(4)
_cell_measurement_reflns_used    9890
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.37
_cell_measurement_theta_min      2.65
_cell_volume                     1828.01(12)
_computing_cell_refinement       'SAINT V8.30A (22 Oct 2012)'
_computing_data_reduction        'SAINT V8.30A (22 Oct 2012)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            26505
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         1.999
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.187
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9547
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1360 before and 0.0440 after correction.
The Ratio of minimum to maximum transmission is 0.9547.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_description       plate
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.673
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details
;
 Flack x determined using 2963 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.011(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         7158
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0365
_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)+(0.0639P)²+0.0559P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0946
_refine_ls_wR_factor_ref         0.0964
_reflns_Friedel_coverage         0.944
_reflns_Friedel_fraction_full    0.992
_reflns_Friedel_fraction_max     0.991
_reflns_number_gt                6595
_reflns_number_total             7158
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6nj00718j2.cif
_cod_data_source_block           a_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7064358--7064360.cif.'
_cod_database_code               7064359
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.993
_shelx_estimated_absorpt_t_min   0.938
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C7A(H7A), C17B(H17B)
2.b Secondary CH2 refined with riding coordinates:
 C8A(H8AB,H8AA), C18B(H18A,H18B)
2.c Aromatic/amide H refined with riding coordinates:
 N10A(H10A), N12A(H12A), N20B(H20B), N22B(H22B)
2.d Idealised Me refined as rotating group:
 C3A(H3AA,H3AB,H3AC), C24A(H24D,H24E,H24F), C25A(H25D,H25E,H25F), C13B(H13A,
 H13B,H13C), C24B(H24A,H24B,H24C), C25B(H25A,H25B,H25C)
2.e Idealised tetrahedral OH refined as rotating group:
 O9A(H9A), O19B(H19B)
2.f Boron cage BH refined with riding coordinates:
 B4A(H4A), B5A(H5A), B6A(H6A), B7A(H7AA), B8A(H8A), B9A(H9AA), B10A(H10C),
 B11A(H11A), B12A(H12C), B4B(H4B), B5B(H5B), B6B(H6B), B7B(H7B), B8B(H8B),
 B9B(H9B), B10B(H10B), B11B(H11B), B12B(H12B)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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
S13A S 0.26778(10) 0.44968(3) 0.09773(7) 0.02477(19) Uani 1 1 d . . . . .
O4A O 0.8537(3) 0.34220(10) 0.0313(2) 0.0276(5) Uani 1 1 d . . . . .
O6A O 0.7833(3) 0.31980(9) 0.2380(2) 0.0272(5) Uani 1 1 d . . . . .
O9A O 0.8465(3) 0.45326(11) 0.2310(3) 0.0450(7) Uani 1 1 d . . . . .
H9A H 0.917694 0.480327 0.224987 0.068 Uiso 1 1 calc R U . . .
N10A N 0.5187(3) 0.39495(10) 0.2320(2) 0.0194(5) Uani 1 1 d . . . . .
H10A H 0.557697 0.378368 0.304801 0.023 Uiso 1 1 calc R U . . .
N12A N 0.2679(3) 0.41239(12) 0.3422(2) 0.0267(6) Uani 1 1 d . . . . .
H12A H 0.160443 0.425409 0.335016 0.032 Uiso 1 1 calc R U . . .
C1A C 0.1517(4) 0.38018(14) 0.5803(3) 0.0233(7) Uani 1 1 d . . . . .
C2A C 0.2388(4) 0.32166(15) 0.5186(3) 0.0274(7) Uani 1 1 d . . . . .
C3A C 1.0054(5) 0.30547(15) 0.0414(4) 0.0346(8) Uani 1 1 d . . . . .
H3AA H 1.036012 0.292826 -0.046516 0.052 Uiso 1 1 calc R U . . .
H3AB H 0.979538 0.272070 0.095386 0.052 Uiso 1 1 calc R U . . .
H3AC H 1.103416 0.326663 0.082034 0.052 Uiso 1 1 calc R U . . .
C5A C 0.7625(4) 0.34754(12) 0.1391(3) 0.0197(6) Uani 1 1 d . . . . .
C7A C 0.6325(4) 0.39594(12) 0.1221(3) 0.0198(6) Uani 1 1 d . . . . .
H7A H 0.562109 0.390419 0.038596 0.024 Uiso 1 1 calc R U . . .
C8A C 0.7348(4) 0.45137(15) 0.1151(4) 0.0327(8) Uani 1 1 d . . . . .
H8AB H 0.804776 0.452060 0.035409 0.039 Uiso 1 1 calc R U . . .
H8AA H 0.654786 0.484594 0.112474 0.039 Uiso 1 1 calc R U . . .
C11A C 0.3594(4) 0.41733(12) 0.2309(3) 0.0185(6) Uani 1 1 d . . . . .
C24A C -0.0317(4) 0.39715(15) 0.5356(3) 0.0289(7) Uani 1 1 d . . . . .
H24D H -0.034226 0.405862 0.441547 0.043 Uiso 1 1 calc R U . . .
H24E H -0.067472 0.431021 0.584491 0.043 Uiso 1 1 calc R U . . .
H24F H -0.111832 0.365534 0.552043 0.043 Uiso 1 1 calc R U . . .
C25A C 0.1380(5) 0.28989(17) 0.4144(4) 0.0409(9) Uani 1 1 d . . . . .
H25D H 0.014071 0.299485 0.418846 0.061 Uiso 1 1 calc R U . . .
H25E H 0.153692 0.248671 0.427776 0.061 Uiso 1 1 calc R U . . .
H25F H 0.179898 0.300617 0.328162 0.061 Uiso 1 1 calc R U . . .
B3A B 0.3166(4) 0.38930(17) 0.4717(3) 0.0249(8) Uani 1 1 d . . . . .
B4A B 0.3046(5) 0.43015(17) 0.6171(4) 0.0269(8) Uani 1 1 d . . . . .
H4A H 0.280447 0.477358 0.612270 0.032 Uiso 1 1 calc R U . . .
B5A B 0.2141(5) 0.38862(17) 0.7411(3) 0.0278(8) Uani 1 1 d . . . . .
H5A H 0.130381 0.408056 0.817013 0.033 Uiso 1 1 calc R U . . .
B6A B 0.1696(5) 0.31965(17) 0.6767(4) 0.0257(8) Uani 1 1 d . . . . .
H6A H 0.056628 0.293476 0.708732 0.031 Uiso 1 1 calc R U . . .
B7A B 0.4579(5) 0.33023(17) 0.5086(3) 0.0253(8) Uani 1 1 d . . . . .
H7AA H 0.536350 0.310216 0.430201 0.030 Uiso 1 1 calc R U . . .
B8A B 0.5059(4) 0.39952(17) 0.5730(4) 0.0264(8) Uani 1 1 d . . . . .
H8A H 0.617476 0.425779 0.538729 0.032 Uiso 1 1 calc R U . . .
B9A B 0.4437(5) 0.39977(17) 0.7402(4) 0.0269(8) Uani 1 1 d . . . . .
H9AA H 0.514445 0.426430 0.816298 0.032 Uiso 1 1 calc R U . . .
B10A B 0.3590(5) 0.33109(16) 0.7779(3) 0.0245(8) Uani 1 1 d . . . . .
H10C H 0.373616 0.312496 0.878931 0.029 Uiso 1 1 calc R U . . .
B11A B 0.3685(5) 0.28789(17) 0.6352(3) 0.0249(8) Uani 1 1 d . . . . .
H11A H 0.388464 0.240488 0.640920 0.030 Uiso 1 1 calc R U . . .
B12A B 0.5393(4) 0.33753(17) 0.6732(4) 0.0248(8) Uani 1 1 d . . . . .
H12C H 0.673408 0.322981 0.704592 0.030 Uiso 1 1 calc R U . . .
S23B S 0.47795(11) 0.56324(4) 0.41207(7) 0.0274(2) Uani 1 1 d . . . . .
O14B O 1.0765(3) 0.66978(10) 0.4796(2) 0.0273(5) Uani 1 1 d . . . . .
O16B O 1.0275(3) 0.66860(11) 0.2607(2) 0.0354(6) Uani 1 1 d . . . . .
O19B O 1.0550(3) 0.53309(11) 0.3499(2) 0.0387(6) Uani 1 1 d . . . . .
H19B H 1.157242 0.543551 0.369891 0.058 Uiso 1 1 calc R U . . .
N20B N 0.7427(3) 0.60367(11) 0.2805(2) 0.0205(5) Uani 1 1 d . . . . .
H20B H 0.788804 0.612151 0.205139 0.025 Uiso 1 1 calc R U . . .
N22B N 0.4899(3) 0.58659(11) 0.1587(2) 0.0205(5) Uani 1 1 d . . . . .
H22B H 0.386031 0.570618 0.158236 0.025 Uiso 1 1 calc R U . . .
C1B C 0.3740(4) 0.61625(12) -0.0871(3) 0.0185(6) Uani 1 1 d . . . . .
C2B C 0.4527(4) 0.67653(12) -0.0206(3) 0.0186(6) Uani 1 1 d . . . . .
C13B C 1.2275(5) 0.70604(16) 0.4632(4) 0.0356(8) Uani 1 1 d . . . . .
H13A H 1.200327 0.735010 0.396031 0.053 Uiso 1 1 calc R U . . .
H13B H 1.325754 0.682659 0.435835 0.053 Uiso 1 1 calc R U . . .
H13C H 1.258495 0.724938 0.546620 0.053 Uiso 1 1 calc R U . . .
C15B C 0.9922(4) 0.65310(14) 0.3686(3) 0.0239(7) Uani 1 1 d . . . . .
C17B C 0.8520(4) 0.61019(13) 0.3992(3) 0.0218(6) Uani 1 1 d . . . . .
H17B H 0.779946 0.625579 0.471002 0.026 Uiso 1 1 calc R U . . .
C18B C 0.9388(4) 0.55451(15) 0.4452(3) 0.0288(7) Uani 1 1 d . . . . .
H18A H 1.004602 0.561315 0.529067 0.035 Uiso 1 1 calc R U . . .
H18B H 0.847995 0.525522 0.461067 0.035 Uiso 1 1 calc R U . . .
C21B C 0.5771(4) 0.58571(12) 0.2777(3) 0.0194(6) Uani 1 1 d . . . . .
C24B C 0.1938(4) 0.59676(14) -0.0518(3) 0.0248(7) Uani 1 1 d . . . . .
H24A H 0.167559 0.611067 0.035640 0.037 Uiso 1 1 calc R U . . .
H24B H 0.189327 0.554864 -0.051884 0.037 Uiso 1 1 calc R U . . .
H24C H 0.107704 0.611709 -0.116394 0.037 Uiso 1 1 calc R U . . .
C25B C 0.3438(4) 0.70843(14) 0.0761(3) 0.0287(7) Uani 1 1 d . . . . .
H25A H 0.222254 0.709652 0.043166 0.043 Uiso 1 1 calc R U . . .
H25B H 0.388143 0.747527 0.086654 0.043 Uiso 1 1 calc R U . . .
H25C H 0.350253 0.688792 0.161045 0.043 Uiso 1 1 calc R U . . .
B3B B 0.5395(4) 0.60960(14) 0.0312(3) 0.0173(7) Uani 1 1 d . . . . .
B4B B 0.5365(4) 0.56790(15) -0.1137(3) 0.0198(7) Uani 1 1 d . . . . .
H4B H 0.520596 0.520312 -0.109793 0.024 Uiso 1 1 calc R U . . .
B5B B 0.4406(5) 0.60841(15) -0.2438(3) 0.0225(7) Uani 1 1 d . . . . .
H5B H 0.360843 0.587523 -0.324574 0.027 Uiso 1 1 calc R U . . .
B6B B 0.3852(4) 0.67697(15) -0.1826(3) 0.0215(7) Uani 1 1 d . . . . .
H6B H 0.269027 0.701342 -0.221907 0.026 Uiso 1 1 calc R U . . .
B7B B 0.6716(4) 0.67102(15) 0.0034(3) 0.0196(7) Uani 1 1 d . . . . .
H7B H 0.745608 0.692293 0.086670 0.023 Uiso 1 1 calc R U . . .
B8B B 0.7296(4) 0.60261(15) -0.0574(3) 0.0197(7) Uani 1 1 d . . . . .
H8B H 0.844359 0.578287 -0.015496 0.024 Uiso 1 1 calc R U . . .
B9B B 0.6706(5) 0.60086(15) -0.2288(3) 0.0228(7) Uani 1 1 d . . . . .
H9B H 0.745549 0.575364 -0.300725 0.027 Uiso 1 1 calc R U . . .
B10B B 0.5764(4) 0.66845(15) -0.2717(3) 0.0217(7) Uani 1 1 d . . . . .
H10B H 0.589203 0.687360 -0.371879 0.026 Uiso 1 1 calc R U . . .
B11B B 0.5786(4) 0.71156(15) -0.1287(3) 0.0210(7) Uani 1 1 d . . . . .
H11B H 0.592162 0.759201 -0.133634 0.025 Uiso 1 1 calc R U . . .
B12B B 0.7570(4) 0.66478(15) -0.1554(3) 0.0216(7) Uani 1 1 d . . . . .
H12B H 0.889530 0.681249 -0.178034 0.026 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C5A O4A C3A 116.3(2) . . ?
C8A O9A H9A 109.5 . . ?
C7A N10A H10A 117.7 . . ?
C11A N10A H10A 117.7 . . ?
C11A N10A C7A 124.7(2) . . ?
C11A N12A H12A 114.3 . . ?
C11A N12A B3A 131.4(3) . . ?
B3A N12A H12A 114.3 . . ?
C2A C1A B3A 62.8(2) . . ?
C2A C1A B4A 111.6(2) . . ?
C2A C1A B5A 111.0(2) . . ?
C2A C1A B6A 60.9(2) . . ?
C24A C1A C2A 119.0(3) . . ?
C24A C1A B3A 118.0(2) . . ?
C24A C1A B4A 121.1(3) . . ?
C24A C1A B5A 119.0(3) . . ?
C24A C1A B6A 116.1(3) . . ?
B3A C1A B6A 114.9(2) . . ?
B4A C1A B3A 62.4(2) . . ?
B4A C1A B5A 62.4(2) . . ?
B4A C1A B6A 113.6(2) . . ?
B5A C1A B3A 114.6(2) . . ?
B5A C1A B6A 62.2(2) . . ?
C1A C2A B3A 60.47(19) . . ?
C1A C2A B6A 61.5(2) . . ?
C1A C2A B7A 109.8(3) . . ?
C1A C2A B11A 110.5(2) . . ?
C25A C2A C1A 118.4(3) . . ?
C25A C2A B3A 115.2(3) . . ?
C25A C2A B6A 119.0(3) . . ?
C25A C2A B7A 120.3(3) . . ?
C25A C2A B11A 122.5(3) . . ?
B6A C2A B3A 113.5(3) . . ?
B7A C2A B3A 62.1(2) . . ?
B7A C2A B6A 113.6(2) . . ?
B7A C2A B11A 63.0(2) . . ?
B11A C2A B3A 114.0(3) . . ?
B11A C2A B6A 61.9(2) . . ?
O4A C3A H3AA 109.5 . . ?
O4A C3A H3AB 109.5 . . ?
O4A C3A H3AC 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
O4A C5A C7A 109.9(2) . . ?
O6A C5A O4A 125.6(3) . . ?
O6A C5A C7A 124.4(3) . . ?
N10A C7A C5A 108.3(2) . . ?
N10A C7A H7A 109.5 . . ?
N10A C7A C8A 112.2(3) . . ?
C5A C7A H7A 109.5 . . ?
C5A C7A C8A 107.7(2) . . ?
C8A C7A H7A 109.5 . . ?
O9A C8A C7A 106.4(3) . . ?
O9A C8A H8AB 110.5 . . ?
O9A C8A H8AA 110.5 . . ?
C7A C8A H8AB 110.5 . . ?
C7A C8A H8AA 110.5 . . ?
H8AB C8A H8AA 108.6 . . ?
N10A C11A S13A 122.6(2) . . ?
N10A C11A N12A 117.5(2) . . ?
N12A C11A S13A 119.8(2) . . ?
C1A C24A H24D 109.5 . . ?
C1A C24A H24E 109.5 . . ?
C1A C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
C2A C25A H25D 109.5 . . ?
C2A C25A H25E 109.5 . . ?
C2A C25A H25F 109.5 . . ?
H25D C25A H25E 109.5 . . ?
H25D C25A H25F 109.5 . . ?
H25E C25A H25F 109.5 . . ?
N12A B3A C1A 117.1(2) . . ?
N12A B3A C2A 119.9(3) . . ?
N12A B3A B4A 122.5(3) . . ?
N12A B3A B7A 127.4(3) . . ?
N12A B3A B8A 130.9(3) . . ?
C1A B3A C2A 56.73(19) . . ?
C1A B3A B4A 57.8(2) . . ?
C1A B3A B7A 102.9(2) . . ?
C1A B3A B8A 104.4(2) . . ?
C2A B3A B4A 103.2(2) . . ?
C2A B3A B7A 57.2(2) . . ?
C2A B3A B8A 104.0(2) . . ?
B4A B3A B7A 106.9(3) . . ?
B4A B3A B8A 60.3(2) . . ?
B8A B3A B7A 60.1(2) . . ?
C1A B4A B3A 59.8(2) . . ?
C1A B4A H4A 124.0 . . ?
C1A B4A B5A 59.2(2) . . ?
C1A B4A B8A 105.6(3) . . ?
C1A B4A B9A 106.1(3) . . ?
B3A B4A H4A 120.6 . . ?
B3A B4A B8A 59.9(2) . . ?
B5A B4A B3A 109.8(3) . . ?
B5A B4A H4A 120.5 . . ?
B5A B4A B8A 109.3(3) . . ?
B5A B4A B9A 60.8(2) . . ?
B8A B4A H4A 122.0 . . ?
B9A B4A B3A 109.2(3) . . ?
B9A B4A H4A 121.5 . . ?
B9A B4A B8A 60.6(2) . . ?
C1A B5A B4A 58.41(19) . . ?
C1A B5A H5A 124.3 . . ?
C1A B5A B6A 59.5(2) . . ?
C1A B5A B9A 104.8(2) . . ?
C1A B5A B10A 105.5(3) . . ?
B4A B5A H5A 121.6 . . ?
B4A B5A B6A 108.2(3) . . ?
B4A B5A B9A 59.9(2) . . ?
B4A B5A B10A 108.0(3) . . ?
B6A B5A H5A 121.2 . . ?
B6A B5A B9A 108.0(3) . . ?
B6A B5A B10A 60.0(2) . . ?
B9A B5A H5A 122.5 . . ?
B10A B5A H5A 122.2 . . ?
B10A B5A B9A 60.0(2) . . ?
C1A B6A B5A 58.29(19) . . ?
C1A B6A H6A 124.6 . . ?
C1A B6A B10A 104.7(3) . . ?
C1A B6A B11A 105.1(2) . . ?
C2A B6A C1A 57.57(19) . . ?
C2A B6A B5A 105.2(3) . . ?
C2A B6A H6A 124.0 . . ?
C2A B6A B10A 105.5(2) . . ?
C2A B6A B11A 59.06(19) . . ?
B5A B6A H6A 122.0 . . ?
B5A B6A B10A 60.2(2) . . ?
B10A B6A H6A 122.7 . . ?
B11A B6A B5A 108.4(3) . . ?
B11A B6A H6A 121.8 . . ?
B11A B6A B10A 60.3(2) . . ?
C2A B7A B3A 60.6(2) . . ?
C2A B7A H7AA 123.5 . . ?
C2A B7A B8A 106.0(3) . . ?
C2A B7A B11A 58.90(19) . . ?
C2A B7A B12A 105.6(2) . . ?
B3A B7A H7AA 120.7 . . ?
B8A B7A B3A 59.4(2) . . ?
B8A B7A H7AA 122.2 . . ?
B8A B7A B11A 108.5(3) . . ?
B11A B7A B3A 109.5(2) . . ?
B11A B7A H7AA 121.0 . . ?
B12A B7A B3A 108.3(3) . . ?
B12A B7A H7AA 122.3 . . ?
B12A B7A B8A 60.2(2) . . ?
B12A B7A B11A 60.1(2) . . ?
B3A B8A B4A 59.9(2) . . ?
B3A B8A B7A 60.5(2) . . ?
B3A B8A H8A 120.9 . . ?
B3A B8A B9A 108.4(2) . . ?
B3A B8A B12A 108.8(3) . . ?
B4A B8A B7A 106.8(3) . . ?
B4A B8A H8A 122.7 . . ?
B4A B8A B9A 59.5(2) . . ?
B4A B8A B12A 106.9(3) . . ?
B7A B8A H8A 122.2 . . ?
B7A B8A B9A 107.2(3) . . ?
B7A B8A B12A 59.8(2) . . ?
B9A B8A H8A 122.0 . . ?
B12A B8A H8A 121.9 . . ?
B12A B8A B9A 59.7(2) . . ?
B4A B9A B5A 59.4(2) . . ?
B4A B9A B8A 60.0(2) . . ?
B4A B9A H9AA 122.2 . . ?
B4A B9A B10A 107.4(3) . . ?
B4A B9A B12A 107.7(3) . . ?
B5A B9A B8A 107.7(2) . . ?
B5A B9A H9AA 122.2 . . ?
B8A B9A H9AA 121.5 . . ?
B10A B9A B5A 59.8(2) . . ?
B10A B9A B8A 108.4(3) . . ?
B10A B9A H9AA 121.6 . . ?
B12A B9A B5A 107.7(3) . . ?
B12A B9A B8A 60.2(2) . . ?
B12A B9A H9AA 121.7 . . ?
B12A B9A B10A 60.2(2) . . ?
B5A B10A B9A 60.1(2) . . ?
B5A B10A H10C 121.9 . . ?
B5A B10A B12A 107.7(3) . . ?
B6A B10A B5A 59.8(2) . . ?
B6A B10A B9A 108.0(3) . . ?
B6A B10A H10C 122.0 . . ?
B6A B10A B11A 59.6(2) . . ?
B6A B10A B12A 107.6(2) . . ?
B9A B10A H10C 121.6 . . ?
B9A B10A B12A 59.8(2) . . ?
B11A B10A B5A 107.6(2) . . ?
B11A B10A B9A 108.1(3) . . ?
B11A B10A H10C 121.8 . . ?
B11A B10A B12A 60.1(2) . . ?
B12A B10A H10C 121.9 . . ?
C2A B11A B6A 59.08(19) . . ?
C2A B11A B7A 58.13(19) . . ?
C2A B11A B10A 105.4(3) . . ?
C2A B11A H11A 124.5 . . ?
C2A B11A B12A 104.8(3) . . ?
B6A B11A B7A 107.4(3) . . ?
B6A B11A B10A 60.1(2) . . ?
B6A B11A H11A 121.5 . . ?
B6A B11A B12A 108.1(3) . . ?
B7A B11A H11A 122.1 . . ?
B10A B11A B7A 107.8(3) . . ?
B10A B11A H11A 122.0 . . ?
B10A B11A B12A 60.2(2) . . ?
B12A B11A B7A 59.8(2) . . ?
B12A B11A H11A 122.3 . . ?
B7A B12A B8A 60.0(2) . . ?
B7A B12A B10A 107.6(2) . . ?
B7A B12A B11A 60.13(19) . . ?
B7A B12A H12C 121.9 . . ?
B8A B12A H12C 121.4 . . ?
B9A B12A B7A 107.8(2) . . ?
B9A B12A B8A 60.2(2) . . ?
B9A B12A B10A 60.0(2) . . ?
B9A B12A B11A 107.8(2) . . ?
B9A B12A H12C 121.8 . . ?
B10A B12A B8A 108.2(2) . . ?
B10A B12A H12C 121.9 . . ?
B11A B12A B8A 108.4(2) . . ?
B11A B12A B10A 59.7(2) . . ?
B11A B12A H12C 121.7 . . ?
C15B O14B C13B 115.9(3) . . ?
C18B O19B H19B 109.5 . . ?
C17B N20B H20B 117.7 . . ?
C21B N20B H20B 117.7 . . ?
C21B N20B C17B 124.7(2) . . ?
C21B N22B H22B 114.5 . . ?
C21B N22B B3B 131.1(3) . . ?
B3B N22B H22B 114.5 . . ?
C2B C1B B3B 62.98(17) . . ?
C2B C1B B4B 111.5(2) . . ?
C2B C1B B5B 110.8(2) . . ?
C2B C1B B6B 60.59(17) . . ?
C24B C1B C2B 118.6(2) . . ?
C24B C1B B3B 117.6(2) . . ?
C24B C1B B4B 121.1(3) . . ?
C24B C1B B5B 119.9(3) . . ?
C24B C1B B6B 116.5(2) . . ?
B4B C1B B3B 61.96(19) . . ?
B4B C1B B6B 113.7(2) . . ?
B5B C1B B3B 114.0(2) . . ?
B5B C1B B4B 62.32(19) . . ?
B5B C1B B6B 62.42(19) . . ?
B6B C1B B3B 114.7(2) . . ?
C1B C2B B3B 60.14(17) . . ?
C1B C2B B6B 61.38(18) . . ?
C1B C2B B7B 109.7(2) . . ?
C1B C2B B11B 110.5(2) . . ?
C25B C2B C1B 118.7(2) . . ?
C25B C2B B3B 116.8(2) . . ?
C25B C2B B6B 118.0(2) . . ?
C25B C2B B7B 120.8(2) . . ?
C25B C2B B11B 121.7(3) . . ?
B6B C2B B3B 113.0(2) . . ?
B7B C2B B3B 61.98(18) . . ?
B7B C2B B6B 113.8(2) . . ?
B7B C2B B11B 63.06(18) . . ?
B11B C2B B3B 113.7(2) . . ?
B11B C2B B6B 62.09(19) . . ?
O14B C13B H13A 109.5 . . ?
O14B C13B H13B 109.5 . . ?
O14B C13B H13C 109.5 . . ?
H13A C13B H13B 109.5 . . ?
H13A C13B H13C 109.5 . . ?
H13B C13B H13C 109.5 . . ?
O14B C15B C17B 110.1(3) . . ?
O16B C15B O14B 124.6(3) . . ?
O16B C15B C17B 125.2(3) . . ?
N20B C17B C15B 106.9(2) . . ?
N20B C17B H17B 109.2 . . ?
N20B C17B C18B 113.4(2) . . ?
C15B C17B H17B 109.2 . . ?
C15B C17B C18B 108.8(3) . . ?
C18B C17B H17B 109.2 . . ?
O19B C18B C17B 111.4(3) . . ?
O19B C18B H18A 109.3 . . ?
O19B C18B H18B 109.3 . . ?
C17B C18B H18A 109.3 . . ?
C17B C18B H18B 109.3 . . ?
H18A C18B H18B 108.0 . . ?
N20B C21B S23B 122.7(2) . . ?
N20B C21B N22B 116.7(3) . . ?
N22B C21B S23B 120.6(2) . . ?
C1B C24B H24A 109.5 . . ?
C1B C24B H24B 109.5 . . ?
C1B C24B H24C 109.5 . . ?
H24A C24B H24B 109.5 . . ?
H24A C24B H24C 109.5 . . ?
H24B C24B H24C 109.5 . . ?
C2B C25B H25A 109.5 . . ?
C2B C25B H25B 109.5 . . ?
C2B C25B H25C 109.5 . . ?
H25A C25B H25B 109.5 . . ?
H25A C25B H25C 109.5 . . ?
H25B C25B H25C 109.5 . . ?
N22B B3B C1B 116.3(2) . . ?
N22B B3B C2B 118.7(2) . . ?
N22B B3B B4B 122.7(2) . . ?
N22B B3B B7B 127.0(3) . . ?
N22B B3B B8B 132.0(3) . . ?
C1B B3B C2B 56.88(16) . . ?
C1B B3B B4B 58.63(17) . . ?
C1B B3B B7B 103.0(2) . . ?
C1B B3B B8B 104.7(2) . . ?
C2B B3B B7B 56.83(17) . . ?
B4B B3B C2B 104.1(2) . . ?
B4B B3B B7B 107.5(2) . . ?
B8B B3B C2B 103.8(2) . . ?
B8B B3B B4B 60.24(19) . . ?
B8B B3B B7B 60.31(19) . . ?
C1B B4B B3B 59.41(18) . . ?
C1B B4B H4B 124.7 . . ?
C1B B4B B5B 58.62(18) . . ?
C1B B4B B8B 104.6(2) . . ?
C1B B4B B9B 105.2(2) . . ?
B3B B4B H4B 121.0 . . ?
B5B B4B B3B 108.9(2) . . ?
B5B B4B H4B 121.1 . . ?
B8B B4B B3B 59.37(18) . . ?
B8B B4B H4B 122.4 . . ?
B8B B4B B5B 108.6(2) . . ?
B9B B4B B3B 108.9(2) . . ?
B9B B4B H4B 121.6 . . ?
B9B B4B B5B 60.33(19) . . ?
B9B B4B B8B 60.87(19) . . ?
C1B B5B B4B 59.06(18) . . ?
C1B B5B H5B 124.2 . . ?
C1B B5B B6B 59.36(18) . . ?
C1B B5B B9B 105.1(2) . . ?
C1B B5B B10B 105.2(2) . . ?
B4B B5B H5B 121.3 . . ?
B4B B5B B6B 108.6(2) . . ?
B4B B5B B9B 59.77(19) . . ?
B4B B5B B10B 108.2(2) . . ?
B6B B5B H5B 121.3 . . ?
B6B B5B B10B 59.56(19) . . ?
B9B B5B H5B 122.3 . . ?
B9B B5B B6B 108.0(2) . . ?
B9B B5B B10B 60.32(19) . . ?
B10B B5B H5B 122.3 . . ?
C1B B6B B5B 58.22(18) . . ?
C1B B6B H6B 124.4 . . ?
C1B B6B B10B 104.9(2) . . ?
C1B B6B B11B 105.1(2) . . ?
C2B B6B C1B 58.03(17) . . ?
C2B B6B B5B 105.4(2) . . ?
C2B B6B H6B 123.9 . . ?
C2B B6B B10B 105.5(2) . . ?
C2B B6B B11B 58.66(18) . . ?
B5B B6B H6B 122.0 . . ?
B10B B6B B5B 60.2(2) . . ?
B10B B6B H6B 122.6 . . ?
B11B B6B B5B 108.3(2) . . ?
B11B B6B H6B 122.0 . . ?
B11B B6B B10B 60.32(19) . . ?
C2B B7B B3B 61.19(18) . . ?
C2B B7B H7B 123.3 . . ?
C2B B7B B8B 106.1(2) . . ?
C2B B7B B11B 58.67(18) . . ?
C2B B7B B12B 105.7(2) . . ?
B3B B7B H7B 120.8 . . ?
B8B B7B B3B 58.88(18) . . ?
B8B B7B H7B 122.5 . . ?
B11B B7B B3B 109.5(2) . . ?
B11B B7B H7B 121.1 . . ?
B11B B7B B8B 108.3(2) . . ?
B12B B7B B3B 108.0(2) . . ?
B12B B7B H7B 122.3 . . ?
B12B B7B B8B 60.16(19) . . ?
B12B B7B B11B 60.23(19) . . ?
B3B B8B B4B 60.39(18) . . ?
B3B B8B B7B 60.81(18) . . ?
B3B B8B H8B 120.6 . . ?
B3B B8B B9B 108.6(2) . . ?
B3B B8B B12B 109.3(2) . . ?
B4B B8B B7B 108.0(2) . . ?
B4B B8B H8B 122.0 . . ?
B4B B8B B9B 59.51(19) . . ?
B4B B8B B12B 107.9(2) . . ?
B7B B8B H8B 121.8 . . ?
B7B B8B B9B 107.7(2) . . ?
B7B B8B B12B 59.81(19) . . ?
B9B B8B H8B 121.9 . . ?
B12B B8B H8B 121.4 . . ?
B12B B8B B9B 60.12(19) . . ?
B4B B9B B5B 59.90(19) . . ?
B4B B9B B8B 59.62(19) . . ?
B4B B9B H9B 121.9 . . ?
B4B B9B B10B 108.0(2) . . ?
B4B B9B B12B 107.6(2) . . ?
B5B B9B B8B 107.3(2) . . ?
B5B B9B H9B 122.0 . . ?
B5B B9B B10B 59.91(19) . . ?
B5B B9B B12B 107.8(2) . . ?
B8B B9B H9B 122.2 . . ?
B10B B9B B8B 107.7(2) . . ?
B10B B9B H9B 121.6 . . ?
B10B B9B B12B 60.24(19) . . ?
B12B B9B B8B 59.68(19) . . ?
B12B B9B H9B 121.8 . . ?
B5B B10B B9B 59.8(2) . . ?
B5B B10B H10B 121.9 . . ?
B5B B10B B12B 107.5(2) . . ?
B6B B10B B5B 60.2(2) . . ?
B6B B10B B9B 108.1(2) . . ?
B6B B10B H10B 121.8 . . ?
B6B B10B B11B 59.7(2) . . ?
B6B B10B B12B 107.6(2) . . ?
B9B B10B H10B 121.6 . . ?
B9B B10B B12B 59.96(19) . . ?
B11B B10B B5B 107.8(2) . . ?
B11B B10B B9B 108.1(2) . . ?
B11B B10B H10B 121.8 . . ?
B11B B10B B12B 59.94(19) . . ?
B12B B10B H10B 122.0 . . ?
C2B B11B B6B 59.25(18) . . ?
C2B B11B B7B 58.27(18) . . ?
C2B B11B B10B 105.7(2) . . ?
C2B B11B H11B 124.3 . . ?
C2B B11B B12B 105.1(2) . . ?
B6B B11B B7B 107.6(2) . . ?
B6B B11B B10B 59.98(19) . . ?
B6B B11B H11B 121.4 . . ?
B6B B11B B12B 108.3(2) . . ?
B7B B11B H11B 121.9 . . ?
B7B B11B B12B 59.84(18) . . ?
B10B B11B B7B 108.2(2) . . ?
B10B B11B H11B 121.8 . . ?
B10B B11B B12B 60.63(19) . . ?
B12B B11B H11B 122.0 . . ?
B7B B12B B8B 60.03(19) . . ?
B7B B12B B9B 107.9(2) . . ?
B7B B12B B10B 107.3(2) . . ?
B7B B12B B11B 59.94(19) . . ?
B7B B12B H12B 121.9 . . ?
B8B B12B B9B 60.20(19) . . ?
B8B B12B B10B 107.8(2) . . ?
B8B B12B B11B 108.0(2) . . ?
B8B B12B H12B 121.5 . . ?
B9B B12B B10B 59.80(19) . . ?
B9B B12B H12B 121.8 . . ?
B10B B12B H12B 122.2 . . ?
B11B B12B B9B 107.5(2) . . ?
B11B B12B B10B 59.43(19) . . ?
B11B B12B H12B 122.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S13A C11A 1.685(3) . ?
O4A C3A 1.447(4) . ?
O4A C5A 1.330(4) . ?
O6A C5A 1.204(4) . ?
O9A H9A 0.8400 . ?
O9A C8A 1.435(4) . ?
N10A H10A 0.8800 . ?
N10A C7A 1.445(4) . ?
N10A C11A 1.330(4) . ?
N12A H12A 0.8800 . ?
N12A C11A 1.361(4) . ?
N12A B3A 1.462(4) . ?
C1A C2A 1.657(5) . ?
C1A C24A 1.517(4) . ?
C1A B3A 1.724(4) . ?
C1A B4A 1.689(5) . ?
C1A B5A 1.703(5) . ?
C1A B6A 1.725(5) . ?
C2A C25A 1.490(5) . ?
C2A B3A 1.762(5) . ?
C2A B6A 1.715(5) . ?
C2A B7A 1.700(5) . ?
C2A B11A 1.714(5) . ?
C3A H3AA 0.9800 . ?
C3A H3AB 0.9800 . ?
C3A H3AC 0.9800 . ?
C5A C7A 1.514(4) . ?
C7A H7A 1.0000 . ?
C7A C8A 1.518(5) . ?
C8A H8AB 0.9900 . ?
C8A H8AA 0.9900 . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
C25A H25D 0.9800 . ?
C25A H25E 0.9800 . ?
C25A H25F 0.9800 . ?
B3A B4A 1.768(5) . ?
B3A B7A 1.788(5) . ?
B3A B8A 1.768(5) . ?
B4A H4A 1.1200 . ?
B4A B5A 1.757(5) . ?
B4A B8A 1.775(5) . ?
B4A B9A 1.767(5) . ?
B5A H5A 1.1200 . ?
B5A B6A 1.770(6) . ?
B5A B9A 1.782(5) . ?
B5A B10A 1.776(5) . ?
B6A H6A 1.1200 . ?
B6A B10A 1.772(5) . ?
B6A B11A 1.763(5) . ?
B7A H7AA 1.1200 . ?
B7A B8A 1.782(6) . ?
B7A B11A 1.784(5) . ?
B7A B12A 1.778(5) . ?
B8A H8A 1.1200 . ?
B8A B9A 1.786(5) . ?
B8A B12A 1.786(5) . ?
B9A H9AA 1.1200 . ?
B9A B10A 1.779(5) . ?
B9A B12A 1.777(5) . ?
B10A H10C 1.1200 . ?
B10A B11A 1.774(5) . ?
B10A B12A 1.784(5) . ?
B11A H11A 1.1200 . ?
B11A B12A 1.783(5) . ?
B12A H12C 1.1200 . ?
S23B C21B 1.675(3) . ?
O14B C13B 1.451(4) . ?
O14B C15B 1.341(4) . ?
O16B C15B 1.198(4) . ?
O19B H19B 0.8400 . ?
O19B C18B 1.432(4) . ?
N20B H20B 0.8800 . ?
N20B C17B 1.455(4) . ?
N20B C21B 1.338(4) . ?
N22B H22B 0.8800 . ?
N22B C21B 1.364(4) . ?
N22B B3B 1.469(4) . ?
C1B C2B 1.667(4) . ?
C1B C24B 1.512(4) . ?
C1B B3B 1.726(4) . ?
C1B B4B 1.712(4) . ?
C1B B5B 1.704(4) . ?
C1B B6B 1.725(4) . ?
C2B C25B 1.513(4) . ?
C2B B3B 1.773(4) . ?
C2B B6B 1.712(4) . ?
C2B B7B 1.694(4) . ?
C2B B11B 1.702(4) . ?
C13B H13A 0.9800 . ?
C13B H13B 0.9800 . ?
C13B H13C 0.9800 . ?
C15B C17B 1.512(4) . ?
C17B H17B 1.0000 . ?
C17B C18B 1.528(4) . ?
C18B H18A 0.9900 . ?
C18B H18B 0.9900 . ?
C24B H24A 0.9800 . ?
C24B H24B 0.9800 . ?
C24B H24C 0.9800 . ?
C25B H25A 0.9800 . ?
C25B H25B 0.9800 . ?
C25B H25C 0.9800 . ?
B3B B4B 1.770(5) . ?
B3B B7B 1.787(4) . ?
B3B B8B 1.752(5) . ?
B4B H4B 1.1200 . ?
B4B B5B 1.768(5) . ?
B4B B8B 1.767(5) . ?
B4B B9B 1.766(5) . ?
B5B H5B 1.1200 . ?
B5B B6B 1.777(5) . ?
B5B B9B 1.775(5) . ?
B5B B10B 1.778(5) . ?
B6B H6B 1.1200 . ?
B6B B10B 1.766(5) . ?
B6B B11B 1.760(5) . ?
B7B H7B 1.1200 . ?
B7B B8B 1.778(5) . ?
B7B B11B 1.776(4) . ?
B7B B12B 1.774(5) . ?
B8B H8B 1.1200 . ?
B8B B9B 1.790(5) . ?
B8B B12B 1.780(5) . ?
B9B H9B 1.1200 . ?
B9B B10B 1.785(5) . ?
B9B B12B 1.788(5) . ?
B10B H10B 1.1200 . ?
B10B B11B 1.772(5) . ?
B10B B12B 1.793(5) . ?
B11B H11B 1.1200 . ?
B11B B12B 1.781(5) . ?
B12B H12B 1.1200 . ?
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
O4A C5A C7A N10A 171.5(2) . . . . ?
O4A C5A C7A C8A -66.9(3) . . . . ?
O6A C5A C7A N10A -11.1(4) . . . . ?
O6A C5A C7A C8A 110.4(3) . . . . ?
N10A C7A C8A O9A 64.3(3) . . . . ?
N12A B3A B4A C1A 103.7(3) . . . . ?
N12A B3A B4A B5A 136.7(3) . . . . ?
N12A B3A B4A B8A -122.0(3) . . . . ?
N12A B3A B4A B9A -158.4(3) . . . . ?
N12A B3A B7A C2A -104.7(4) . . . . ?
N12A B3A B7A B8A 120.8(4) . . . . ?
N12A B3A B7A B11A -138.8(3) . . . . ?
N12A B3A B7A B12A 157.3(3) . . . . ?
N12A B3A B8A B4A 109.0(4) . . . . ?
N12A B3A B8A B7A -115.5(4) . . . . ?
N12A B3A B8A B9A 144.7(3) . . . . ?
N12A B3A B8A B12A -152.0(3) . . . . ?
C1A C2A B3A N12A -104.6(3) . . . . ?
C1A C2A B3A B4A 36.0(2) . . . . ?
C1A C2A B3A B7A 137.8(2) . . . . ?
C1A C2A B3A B8A 98.2(3) . . . . ?
C1A C2A B6A B5A -35.2(2) . . . . ?
C1A C2A B6A B10A -97.9(3) . . . . ?
C1A C2A B6A B11A -137.8(3) . . . . ?
C1A C2A B7A B3A -38.4(2) . . . . ?
C1A C2A B7A B8A 1.2(3) . . . . ?
C1A C2A B7A B11A 103.5(3) . . . . ?
C1A C2A B7A B12A 64.1(3) . . . . ?
C1A C2A B11A B6A 39.1(2) . . . . ?
C1A C2A B11A B7A -102.5(3) . . . . ?
C1A C2A B11A B10A -0.8(3) . . . . ?
C1A C2A B11A B12A -63.4(3) . . . . ?
C1A B3A B4A B5A 32.9(2) . . . . ?
C1A B3A B4A B8A 134.3(3) . . . . ?
C1A B3A B4A B9A 97.8(3) . . . . ?
C1A B3A B7A C2A 35.2(2) . . . . ?
C1A B3A B7A B8A -99.4(3) . . . . ?
C1A B3A B7A B11A 1.1(3) . . . . ?
C1A B3A B7A B12A -62.8(3) . . . . ?
C1A B3A B8A B4A -38.7(2) . . . . ?
C1A B3A B8A B7A 96.8(3) . . . . ?
C1A B3A B8A B9A -3.0(3) . . . . ?
C1A B3A B8A B12A 60.3(3) . . . . ?
C1A B4A B5A B6A 34.0(2) . . . . ?
C1A B4A B5A B9A 134.7(3) . . . . ?
C1A B4A B5A B10A 97.5(3) . . . . ?
C1A B4A B8A B3A 40.0(2) . . . . ?
C1A B4A B8A B7A 0.4(3) . . . . ?
C1A B4A B8A B9A -99.9(3) . . . . ?
C1A B4A B8A B12A -62.3(3) . . . . ?
C1A B4A B9A B5A -39.4(2) . . . . ?
C1A B4A B9A B8A 99.1(3) . . . . ?
C1A B4A B9A B10A -2.4(3) . . . . ?
C1A B4A B9A B12A 61.1(3) . . . . ?
C1A B5A B6A C2A 34.9(2) . . . . ?
C1A B5A B6A B10A 134.3(3) . . . . ?
C1A B5A B6A B11A 96.7(3) . . . . ?
C1A B5A B9A B4A 38.8(2) . . . . ?
C1A B5A B9A B8A 1.8(3) . . . . ?
C1A B5A B9A B10A -99.6(3) . . . . ?
C1A B5A B9A B12A -61.7(3) . . . . ?
C1A B5A B10A B6A -39.8(2) . . . . ?
C1A B5A B10A B9A 98.4(3) . . . . ?
C1A B5A B10A B11A -2.8(3) . . . . ?
C1A B5A B10A B12A 60.7(3) . . . . ?
C1A B6A B10A B5A 39.0(2) . . . . ?
C1A B6A B10A B9A 1.6(3) . . . . ?
C1A B6A B10A B11A -99.2(3) . . . . ?
C1A B6A B10A B12A -61.5(3) . . . . ?
C1A B6A B11A C2A -35.9(2) . . . . ?
C1A B6A B11A B7A -2.3(3) . . . . ?
C1A B6A B11A B10A 98.6(3) . . . . ?
C1A B6A B11A B12A 60.8(3) . . . . ?
C2A C1A B3A N12A 109.5(3) . . . . ?
C2A C1A B3A B4A -137.4(3) . . . . ?
C2A C1A B3A B7A -35.4(2) . . . . ?
C2A C1A B3A B8A -97.5(3) . . . . ?
C2A C1A B4A B3A 40.3(2) . . . . ?
C2A C1A B4A B5A -103.1(3) . . . . ?
C2A C1A B4A B8A 0.3(3) . . . . ?
C2A C1A B4A B9A -62.9(3) . . . . ?
C2A C1A B5A B4A 104.2(3) . . . . ?
C2A C1A B5A B6A -37.7(2) . . . . ?
C2A C1A B5A B9A 64.7(3) . . . . ?
C2A C1A B5A B10A 2.3(3) . . . . ?
C2A C1A B6A B5A 139.2(3) . . . . ?
C2A C1A B6A B10A 99.2(3) . . . . ?
C2A C1A B6A B11A 36.6(2) . . . . ?
C2A B3A B4A C1A -35.5(2) . . . . ?
C2A B3A B4A B5A -2.6(3) . . . . ?
C2A B3A B4A B8A 98.8(3) . . . . ?
C2A B3A B4A B9A 62.3(3) . . . . ?
C2A B3A B7A B8A -134.5(3) . . . . ?
C2A B3A B7A B11A -34.1(2) . . . . ?
C2A B3A B7A B12A -98.0(3) . . . . ?
C2A B3A B8A B4A -97.4(3) . . . . ?
C2A B3A B8A B7A 38.1(2) . . . . ?
C2A B3A B8A B9A -61.7(3) . . . . ?
C2A B3A B8A B12A 1.6(3) . . . . ?
C2A B6A B10A B5A 98.9(3) . . . . ?
C2A B6A B10A B9A 61.5(3) . . . . ?
C2A B6A B10A B11A -39.4(2) . . . . ?
C2A B6A B10A B12A -1.7(3) . . . . ?
C2A B6A B11A B7A 33.6(2) . . . . ?
C2A B6A B11A B10A 134.5(3) . . . . ?
C2A B6A B11A B12A 96.7(3) . . . . ?
C2A B7A B8A B3A -40.3(2) . . . . ?
C2A B7A B8A B4A -1.0(3) . . . . ?
C2A B7A B8A B9A 61.5(3) . . . . ?
C2A B7A B8A B12A 99.1(3) . . . . ?
C2A B7A B11A B6A -34.0(2) . . . . ?
C2A B7A B11A B10A -97.4(3) . . . . ?
C2A B7A B11A B12A -135.2(3) . . . . ?
C2A B7A B12A B8A -99.9(3) . . . . ?
C2A B7A B12A B9A -61.9(3) . . . . ?
C2A B7A B12A B10A 1.4(3) . . . . ?
C2A B7A B12A B11A 38.8(2) . . . . ?
C2A B11A B12A B7A -38.3(2) . . . . ?
C2A B11A B12A B8A -1.2(3) . . . . ?
C2A B11A B12A B9A 62.4(3) . . . . ?
C2A B11A B12A B10A 99.5(3) . . . . ?
C3A O4A C5A O6A -9.0(4) . . . . ?
C3A O4A C5A C7A 168.4(3) . . . . ?
C5A C7A C8A O9A -54.7(3) . . . . ?
C7A N10A C11A S13A 0.7(4) . . . . ?
C7A N10A C11A N12A 179.4(3) . . . . ?
C11A N10A C7A C5A -156.9(3) . . . . ?
C11A N10A C7A C8A 84.4(3) . . . . ?
C11A N12A B3A C1A -169.9(3) . . . . ?
C11A N12A B3A C2A -104.5(4) . . . . ?
C11A N12A B3A B4A 122.7(4) . . . . ?
C11A N12A B3A B7A -34.7(6) . . . . ?
C11A N12A B3A B8A 45.7(6) . . . . ?
C24A C1A C2A C25A 4.1(4) . . . . ?
C24A C1A C2A B3A 108.6(3) . . . . ?
C24A C1A C2A B6A -105.4(3) . . . . ?
C24A C1A C2A B7A 147.8(3) . . . . ?
C24A C1A C2A B11A -144.6(3) . . . . ?
C24A C1A B3A N12A -0.7(4) . . . . ?
C24A C1A B3A C2A -110.2(3) . . . . ?
C24A C1A B3A B4A 112.4(3) . . . . ?
C24A C1A B3A B7A -145.6(3) . . . . ?
C24A C1A B3A B8A 152.4(3) . . . . ?
C24A C1A B4A B3A -107.7(3) . . . . ?
C24A C1A B4A B5A 108.8(3) . . . . ?
C24A C1A B4A B8A -147.7(3) . . . . ?
C24A C1A B4A B9A 149.0(3) . . . . ?
C24A C1A B5A B4A -112.1(3) . . . . ?
C24A C1A B5A B6A 106.0(3) . . . . ?
C24A C1A B5A B9A -151.6(3) . . . . ?
C24A C1A B5A B10A 146.0(3) . . . . ?
C24A C1A B6A C2A 110.3(3) . . . . ?
C24A C1A B6A B5A -110.6(3) . . . . ?
C24A C1A B6A B10A -150.5(3) . . . . ?
C24A C1A B6A B11A 146.9(3) . . . . ?
C25A C2A B3A N12A 5.2(4) . . . . ?
C25A C2A B3A C1A 109.7(3) . . . . ?
C25A C2A B3A B4A 145.8(3) . . . . ?
C25A C2A B3A B7A -112.5(3) . . . . ?
C25A C2A B3A B8A -152.0(3) . . . . ?
C25A C2A B6A C1A -108.5(3) . . . . ?
C25A C2A B6A B5A -143.7(3) . . . . ?
C25A C2A B6A B10A 153.6(3) . . . . ?
C25A C2A B6A B11A 113.6(3) . . . . ?
C25A C2A B7A B3A 104.4(3) . . . . ?
C25A C2A B7A B8A 144.1(3) . . . . ?
C25A C2A B7A B11A -113.7(3) . . . . ?
C25A C2A B7A B12A -153.0(3) . . . . ?
C25A C2A B11A B6A -108.2(4) . . . . ?
C25A C2A B11A B7A 110.3(4) . . . . ?
C25A C2A B11A B10A -148.0(3) . . . . ?
C25A C2A B11A B12A 149.4(3) . . . . ?
B3A N12A C11A S13A -176.7(3) . . . . ?
B3A N12A C11A N10A 4.5(5) . . . . ?
B3A C1A C2A C25A -104.5(3) . . . . ?
B3A C1A C2A B6A 146.0(2) . . . . ?
B3A C1A C2A B7A 39.2(2) . . . . ?
B3A C1A C2A B11A 106.8(3) . . . . ?
B3A C1A B4A B5A -143.4(3) . . . . ?
B3A C1A B4A B8A -40.0(2) . . . . ?
B3A C1A B4A B9A -103.2(3) . . . . ?
B3A C1A B5A B4A 35.5(3) . . . . ?
B3A C1A B5A B6A -106.4(3) . . . . ?
B3A C1A B5A B9A -4.0(4) . . . . ?
B3A C1A B5A B10A -66.4(3) . . . . ?
B3A C1A B6A C2A -33.3(2) . . . . ?
B3A C1A B6A B5A 105.9(3) . . . . ?
B3A C1A B6A B10A 65.9(3) . . . . ?
B3A C1A B6A B11A 3.3(3) . . . . ?
B3A C2A B6A C1A 32.1(2) . . . . ?
B3A C2A B6A B5A -3.1(3) . . . . ?
B3A C2A B6A B10A -65.8(3) . . . . ?
B3A C2A B6A B11A -105.7(3) . . . . ?
B3A C2A B7A B8A 39.7(2) . . . . ?
B3A C2A B7A B11A 141.9(3) . . . . ?
B3A C2A B7A B12A 102.5(3) . . . . ?
B3A C2A B11A B6A 104.9(3) . . . . ?
B3A C2A B11A B7A -36.7(3) . . . . ?
B3A C2A B11A B10A 65.0(3) . . . . ?
B3A C2A B11A B12A 2.4(3) . . . . ?
B3A B4A B5A C1A -33.2(2) . . . . ?
B3A B4A B5A B6A 0.9(3) . . . . ?
B3A B4A B5A B9A 101.5(3) . . . . ?
B3A B4A B5A B10A 64.3(3) . . . . ?
B3A B4A B8A B7A -39.5(2) . . . . ?
B3A B4A B8A B9A -139.9(3) . . . . ?
B3A B4A B8A B12A -102.3(3) . . . . ?
B3A B4A B9A B5A -102.4(3) . . . . ?
B3A B4A B9A B8A 36.1(3) . . . . ?
B3A B4A B9A B10A -65.4(3) . . . . ?
B3A B4A B9A B12A -1.9(4) . . . . ?
B3A B7A B8A B4A 39.2(2) . . . . ?
B3A B7A B8A B9A 101.7(3) . . . . ?
B3A B7A B8A B12A 139.3(3) . . . . ?
B3A B7A B11A C2A 34.8(2) . . . . ?
B3A B7A B11A B6A 0.8(4) . . . . ?
B3A B7A B11A B10A -62.6(3) . . . . ?
B3A B7A B11A B12A -100.4(3) . . . . ?
B3A B7A B12A B8A -36.2(2) . . . . ?
B3A B7A B12A B9A 1.7(3) . . . . ?
B3A B7A B12A B10A 65.0(3) . . . . ?
B3A B7A B12A B11A 102.5(3) . . . . ?
B3A B8A B9A B4A -35.9(3) . . . . ?
B3A B8A B9A B5A 0.8(4) . . . . ?
B3A B8A B9A B10A 64.0(3) . . . . ?
B3A B8A B9A B12A 101.5(3) . . . . ?
B3A B8A B12A B7A 36.8(2) . . . . ?
B3A B8A B12A B9A -100.8(3) . . . . ?
B3A B8A B12A B10A -63.5(3) . . . . ?
B3A B8A B12A B11A -0.3(3) . . . . ?
B4A C1A C2A C25A -144.7(3) . . . . ?
B4A C1A C2A B3A -40.2(2) . . . . ?
B4A C1A C2A B6A 105.8(3) . . . . ?
B4A C1A C2A B7A -1.0(3) . . . . ?
B4A C1A C2A B11A 66.6(3) . . . . ?
B4A C1A B3A N12A -113.1(3) . . . . ?
B4A C1A B3A C2A 137.4(3) . . . . ?
B4A C1A B3A B7A 102.0(3) . . . . ?
B4A C1A B3A B8A 39.9(2) . . . . ?
B4A C1A B5A B6A -141.9(3) . . . . ?
B4A C1A B5A B9A -39.5(2) . . . . ?
B4A C1A B5A B10A -101.9(3) . . . . ?
B4A C1A B6A C2A -102.6(3) . . . . ?
B4A C1A B6A B5A 36.6(3) . . . . ?
B4A C1A B6A B10A -3.3(3) . . . . ?
B4A C1A B6A B11A -65.9(3) . . . . ?
B4A B3A B7A C2A 95.1(3) . . . . ?
B4A B3A B7A B8A -39.4(2) . . . . ?
B4A B3A B7A B11A 61.0(3) . . . . ?
B4A B3A B7A B12A -2.9(3) . . . . ?
B4A B3A B8A B7A 135.6(3) . . . . ?
B4A B3A B8A B9A 35.8(3) . . . . ?
B4A B3A B8A B12A 99.1(3) . . . . ?
B4A B5A B6A C1A -33.6(2) . . . . ?
B4A B5A B6A C2A 1.3(3) . . . . ?
B4A B5A B6A B10A 100.7(3) . . . . ?
B4A B5A B6A B11A 63.2(3) . . . . ?
B4A B5A B9A B8A -36.9(3) . . . . ?
B4A B5A B9A B10A -138.4(3) . . . . ?
B4A B5A B9A B12A -100.4(3) . . . . ?
B4A B5A B10A B6A -101.0(3) . . . . ?
B4A B5A B10A B9A 37.2(2) . . . . ?
B4A B5A B10A B11A -64.0(3) . . . . ?
B4A B5A B10A B12A -0.5(3) . . . . ?
B4A B8A B9A B5A 36.7(3) . . . . ?
B4A B8A B9A B10A 99.9(3) . . . . ?
B4A B8A B9A B12A 137.4(3) . . . . ?
B4A B8A B12A B7A 100.0(3) . . . . ?
B4A B8A B12A B9A -37.6(2) . . . . ?
B4A B8A B12A B10A -0.3(3) . . . . ?
B4A B8A B12A B11A 62.9(3) . . . . ?
B4A B9A B10A B5A -36.8(2) . . . . ?
B4A B9A B10A B6A 0.5(3) . . . . ?
B4A B9A B10A B11A 63.5(3) . . . . ?
B4A B9A B10A B12A 100.8(3) . . . . ?
B4A B9A B12A B7A 0.1(3) . . . . ?
B4A B9A B12A B8A 38.0(2) . . . . ?
B4A B9A B12A B10A -100.4(3) . . . . ?
B4A B9A B12A B11A -63.4(3) . . . . ?
B5A C1A C2A C25A 147.8(3) . . . . ?
B5A C1A C2A B3A -107.7(3) . . . . ?
B5A C1A C2A B6A 38.2(2) . . . . ?
B5A C1A C2A B7A -68.6(3) . . . . ?
B5A C1A C2A B11A -1.0(3) . . . . ?
B5A C1A B3A N12A -148.6(3) . . . . ?
B5A C1A B3A C2A 101.9(3) . . . . ?
B5A C1A B3A B4A -35.5(3) . . . . ?
B5A C1A B3A B7A 66.5(3) . . . . ?
B5A C1A B3A B8A 4.4(4) . . . . ?
B5A C1A B4A B3A 143.4(3) . . . . ?
B5A C1A B4A B8A 103.4(3) . . . . ?
B5A C1A B4A B9A 40.2(2) . . . . ?
B5A C1A B6A C2A -139.2(3) . . . . ?
B5A C1A B6A B10A -40.0(2) . . . . ?
B5A C1A B6A B11A -102.6(3) . . . . ?
B5A B4A B8A B3A 102.2(3) . . . . ?
B5A B4A B8A B7A 62.7(3) . . . . ?
B5A B4A B8A B9A -37.7(3) . . . . ?
B5A B4A B8A B12A -0.1(3) . . . . ?
B5A B4A B9A B8A 138.6(3) . . . . ?
B5A B4A B9A B10A 37.0(2) . . . . ?
B5A B4A B9A B12A 100.5(3) . . . . ?
B5A B6A B10A B9A -37.4(2) . . . . ?
B5A B6A B10A B11A -138.2(3) . . . . ?
B5A B6A B10A B12A -100.6(3) . . . . ?
B5A B6A B11A C2A -97.0(3) . . . . ?
B5A B6A B11A B7A -63.4(3) . . . . ?
B5A B6A B11A B10A 37.5(2) . . . . ?
B5A B6A B11A B12A -0.3(3) . . . . ?
B5A B9A B10A B6A 37.3(2) . . . . ?
B5A B9A B10A B11A 100.3(3) . . . . ?
B5A B9A B10A B12A 137.6(3) . . . . ?
B5A B9A B12A B7A 62.7(3) . . . . ?
B5A B9A B12A B8A 100.6(3) . . . . ?
B5A B9A B12A B10A -37.8(2) . . . . ?
B5A B9A B12A B11A -0.8(3) . . . . ?
B5A B10A B11A C2A 2.2(3) . . . . ?
B5A B10A B11A B6A -37.2(2) . . . . ?
B5A B10A B11A B7A 63.1(3) . . . . ?
B5A B10A B11A B12A 100.6(3) . . . . ?
B5A B10A B12A B7A -62.9(3) . . . . ?
B5A B10A B12A B8A 0.5(3) . . . . ?
B5A B10A B12A B9A 37.9(2) . . . . ?
B5A B10A B12A B11A -100.5(3) . . . . ?
B6A C1A C2A C25A 109.5(3) . . . . ?
B6A C1A C2A B3A -146.0(2) . . . . ?
B6A C1A C2A B7A -106.8(3) . . . . ?
B6A C1A C2A B11A -39.2(2) . . . . ?
B6A C1A B3A N12A 142.1(3) . . . . ?
B6A C1A B3A C2A 32.6(2) . . . . ?
B6A C1A B3A B4A -104.8(3) . . . . ?
B6A C1A B3A B7A -2.8(3) . . . . ?
B6A C1A B3A B8A -64.8(3) . . . . ?
B6A C1A B4A B3A 106.9(3) . . . . ?
B6A C1A B4A B5A -36.5(3) . . . . ?
B6A C1A B4A B8A 66.9(3) . . . . ?
B6A C1A B4A B9A 3.7(3) . . . . ?
B6A C1A B5A B4A 141.9(3) . . . . ?
B6A C1A B5A B9A 102.4(3) . . . . ?
B6A C1A B5A B10A 40.0(2) . . . . ?
B6A C2A B3A N12A -137.0(3) . . . . ?
B6A C2A B3A C1A -32.5(2) . . . . ?
B6A C2A B3A B4A 3.6(3) . . . . ?
B6A C2A B3A B7A 105.3(3) . . . . ?
B6A C2A B3A B8A 65.8(3) . . . . ?
B6A C2A B7A B3A -105.1(3) . . . . ?
B6A C2A B7A B8A -65.5(3) . . . . ?
B6A C2A B7A B11A 36.8(3) . . . . ?
B6A C2A B7A B12A -2.6(4) . . . . ?
B6A C2A B11A B7A -141.5(3) . . . . ?
B6A C2A B11A B10A -39.9(2) . . . . ?
B6A C2A B11A B12A -102.5(3) . . . . ?
B6A B5A B9A B4A 101.0(3) . . . . ?
B6A B5A B9A B8A 64.1(3) . . . . ?
B6A B5A B9A B10A -37.3(2) . . . . ?
B6A B5A B9A B12A 0.6(3) . . . . ?
B6A B5A B10A B9A 138.2(3) . . . . ?
B6A B5A B10A B11A 37.1(2) . . . . ?
B6A B5A B10A B12A 100.5(3) . . . . ?
B6A B10A B11A C2A 39.4(2) . . . . ?
B6A B10A B11A B7A 100.3(3) . . . . ?
B6A B10A B11A B12A 137.8(3) . . . . ?
B6A B10A B12A B7A 0.2(3) . . . . ?
B6A B10A B12A B8A 63.6(3) . . . . ?
B6A B10A B12A B9A 101.0(3) . . . . ?
B6A B10A B12A B11A -37.4(2) . . . . ?
B6A B11A B12A B7A -100.0(3) . . . . ?
B6A B11A B12A B8A -63.0(3) . . . . ?
B6A B11A B12A B9A 0.7(3) . . . . ?
B6A B11A B12A B10A 37.8(2) . . . . ?
B7A C2A B3A N12A 117.6(3) . . . . ?
B7A C2A B3A C1A -137.8(2) . . . . ?
B7A C2A B3A B4A -101.8(3) . . . . ?
B7A C2A B3A B8A -39.6(2) . . . . ?
B7A C2A B6A C1A 100.6(3) . . . . ?
B7A C2A B6A B5A 65.4(3) . . . . ?
B7A C2A B6A B10A 2.8(4) . . . . ?
B7A C2A B6A B11A -37.2(3) . . . . ?
B7A C2A B11A B6A 141.5(3) . . . . ?
B7A C2A B11A B10A 101.7(3) . . . . ?
B7A C2A B11A B12A 39.1(2) . . . . ?
B7A B3A B4A C1A -94.9(3) . . . . ?
B7A B3A B4A B5A -61.9(3) . . . . ?
B7A B3A B4A B8A 39.4(2) . . . . ?
B7A B3A B4A B9A 3.0(3) . . . . ?
B7A B3A B8A B4A -135.6(3) . . . . ?
B7A B3A B8A B9A -99.8(3) . . . . ?
B7A B3A B8A B12A -36.5(2) . . . . ?
B7A B8A B9A B4A -99.8(3) . . . . ?
B7A B8A B9A B5A -63.1(3) . . . . ?
B7A B8A B9A B10A 0.2(3) . . . . ?
B7A B8A B9A B12A 37.6(2) . . . . ?
B7A B8A B12A B9A -137.6(3) . . . . ?
B7A B8A B12A B10A -100.3(3) . . . . ?
B7A B8A B12A B11A -37.1(2) . . . . ?
B7A B11A B12A B8A 37.0(2) . . . . ?
B7A B11A B12A B9A 100.7(3) . . . . ?
B7A B11A B12A B10A 137.8(3) . . . . ?
B8A B3A B4A C1A -134.3(3) . . . . ?
B8A B3A B4A B5A -101.3(3) . . . . ?
B8A B3A B4A B9A -36.4(3) . . . . ?
B8A B3A B7A C2A 134.5(3) . . . . ?
B8A B3A B7A B11A 100.5(3) . . . . ?
B8A B3A B7A B12A 36.6(2) . . . . ?
B8A B4A B5A C1A -97.1(3) . . . . ?
B8A B4A B5A B6A -63.1(3) . . . . ?
B8A B4A B5A B9A 37.6(3) . . . . ?
B8A B4A B5A B10A 0.4(3) . . . . ?
B8A B4A B9A B5A -138.6(3) . . . . ?
B8A B4A B9A B10A -101.5(3) . . . . ?
B8A B4A B9A B12A -38.1(3) . . . . ?
B8A B7A B11A C2A 98.0(3) . . . . ?
B8A B7A B11A B6A 64.0(3) . . . . ?
B8A B7A B11A B10A 0.5(3) . . . . ?
B8A B7A B11A B12A -37.2(2) . . . . ?
B8A B7A B12A B9A 37.9(2) . . . . ?
B8A B7A B12A B10A 101.2(3) . . . . ?
B8A B7A B12A B11A 138.7(3) . . . . ?
B8A B9A B10A B5A -100.2(3) . . . . ?
B8A B9A B10A B6A -62.9(3) . . . . ?
B8A B9A B10A B11A 0.2(3) . . . . ?
B8A B9A B10A B12A 37.4(2) . . . . ?
B8A B9A B12A B7A -37.9(2) . . . . ?
B8A B9A B12A B10A -138.3(3) . . . . ?
B8A B9A B12A B11A -101.4(3) . . . . ?
B9A B4A B5A C1A -134.7(3) . . . . ?
B9A B4A B5A B6A -100.7(3) . . . . ?
B9A B4A B5A B10A -37.2(2) . . . . ?
B9A B4A B8A B3A 139.9(3) . . . . ?
B9A B4A B8A B7A 100.4(3) . . . . ?
B9A B4A B8A B12A 37.6(2) . . . . ?
B9A B5A B6A C1A -96.9(3) . . . . ?
B9A B5A B6A C2A -62.1(3) . . . . ?
B9A B5A B6A B10A 37.3(2) . . . . ?
B9A B5A B6A B11A -0.2(3) . . . . ?
B9A B5A B10A B6A -138.2(3) . . . . ?
B9A B5A B10A B11A -101.2(3) . . . . ?
B9A B5A B10A B12A -37.7(2) . . . . ?
B9A B8A B12A B7A 137.6(3) . . . . ?
B9A B8A B12A B10A 37.3(2) . . . . ?
B9A B8A B12A B11A 100.5(3) . . . . ?
B9A B10A B11A C2A -61.3(3) . . . . ?
B9A B10A B11A B6A -100.7(3) . . . . ?
B9A B10A B11A B7A -0.4(3) . . . . ?
B9A B10A B11A B12A 37.1(2) . . . . ?
B9A B10A B12A B7A -100.8(3) . . . . ?
B9A B10A B12A B8A -37.4(2) . . . . ?
B9A B10A B12A B11A -138.4(3) . . . . ?
B10A B5A B6A C1A -134.3(3) . . . . ?
B10A B5A B6A C2A -99.4(3) . . . . ?
B10A B5A B6A B11A -37.5(2) . . . . ?
B10A B5A B9A B4A 138.4(3) . . . . ?
B10A B5A B9A B8A 101.4(3) . . . . ?
B10A B5A B9A B12A 37.9(2) . . . . ?
B10A B6A B11A C2A -134.5(3) . . . . ?
B10A B6A B11A B7A -100.9(3) . . . . ?
B10A B6A B11A B12A -37.8(2) . . . . ?
B10A B9A B12A B7A 100.5(3) . . . . ?
B10A B9A B12A B8A 138.3(3) . . . . ?
B10A B9A B12A B11A 37.0(2) . . . . ?
B10A B11A B12A B7A -137.8(3) . . . . ?
B10A B11A B12A B8A -100.8(3) . . . . ?
B10A B11A B12A B9A -37.1(2) . . . . ?
B11A C2A B3A N12A 154.6(3) . . . . ?
B11A C2A B3A C1A -100.8(3) . . . . ?
B11A C2A B3A B4A -64.8(3) . . . . ?
B11A C2A B3A B7A 37.0(3) . . . . ?
B11A C2A B3A B8A -2.6(3) . . . . ?
B11A C2A B6A C1A 137.8(3) . . . . ?
B11A C2A B6A B5A 102.6(3) . . . . ?
B11A C2A B6A B10A 40.0(2) . . . . ?
B11A C2A B7A B3A -141.9(3) . . . . ?
B11A C2A B7A B8A -102.3(3) . . . . ?
B11A C2A B7A B12A -39.4(2) . . . . ?
B11A B6A B10A B5A 138.2(3) . . . . ?
B11A B6A B10A B9A 100.8(3) . . . . ?
B11A B6A B10A B12A 37.7(2) . . . . ?
B11A B7A B8A B3A -102.2(3) . . . . ?
B11A B7A B8A B4A -62.9(3) . . . . ?
B11A B7A B8A B9A -0.5(3) . . . . ?
B11A B7A B8A B12A 37.1(2) . . . . ?
B11A B7A B12A B8A -138.7(3) . . . . ?
B11A B7A B12A B9A -100.7(3) . . . . ?
B11A B7A B12A B10A -37.5(2) . . . . ?
B11A B10A B12A B7A 37.7(2) . . . . ?
B11A B10A B12A B8A 101.1(3) . . . . ?
B11A B10A B12A B9A 138.4(3) . . . . ?
B12A B7A B8A B3A -139.3(3) . . . . ?
B12A B7A B8A B4A -100.1(3) . . . . ?
B12A B7A B8A B9A -37.6(2) . . . . ?
B12A B7A B11A C2A 135.2(3) . . . . ?
B12A B7A B11A B6A 101.2(3) . . . . ?
B12A B7A B11A B10A 37.7(2) . . . . ?
B12A B8A B9A B4A -137.4(3) . . . . ?
B12A B8A B9A B5A -100.7(3) . . . . ?
B12A B8A B9A B10A -37.4(2) . . . . ?
B12A B9A B10A B5A -137.6(3) . . . . ?
B12A B9A B10A B6A -100.3(3) . . . . ?
B12A B9A B10A B11A -37.3(2) . . . . ?
B12A B10A B11A C2A -98.4(3) . . . . ?
B12A B10A B11A B6A -137.8(3) . . . . ?
B12A B10A B11A B7A -37.6(2) . . . . ?
O14B C15B C17B N20B 167.8(2) . . . . ?
O14B C15B C17B C18B -69.3(3) . . . . ?
O16B C15B C17B N20B -14.6(4) . . . . ?
O16B C15B C17B C18B 108.2(4) . . . . ?
N20B C17B C18B O19B 62.7(3) . . . . ?
N22B B3B B4B C1B 103.0(3) . . . . ?
N22B B3B B4B B5B 135.7(3) . . . . ?
N22B B3B B4B B8B -123.3(3) . . . . ?
N22B B3B B4B B9B -160.1(3) . . . . ?
N22B B3B B7B C2B -103.1(3) . . . . ?
N22B B3B B7B B8B 122.4(3) . . . . ?
N22B B3B B7B B11B -137.5(3) . . . . ?
N22B B3B B7B B12B 158.5(3) . . . . ?
N22B B3B B8B B4B 108.9(4) . . . . ?
N22B B3B B8B B7B -114.7(4) . . . . ?
N22B B3B B8B B9B 145.0(3) . . . . ?
N22B B3B B8B B12B -151.0(3) . . . . ?
C1B C2B B3B N22B -104.2(3) . . . . ?
C1B C2B B3B B4B 36.4(2) . . . . ?
C1B C2B B3B B7B 138.3(2) . . . . ?
C1B C2B B3B B8B 98.7(2) . . . . ?
C1B C2B B6B B5B -35.4(2) . . . . ?
C1B C2B B6B B10B -98.1(3) . . . . ?
C1B C2B B6B B11B -137.7(2) . . . . ?
C1B C2B B7B B3B -37.8(2) . . . . ?
C1B C2B B7B B8B 1.6(3) . . . . ?
C1B C2B B7B B11B 103.6(2) . . . . ?
C1B C2B B7B B12B 64.4(3) . . . . ?
C1B C2B B11B B6B 39.1(2) . . . . ?
C1B C2B B11B B7B -102.4(2) . . . . ?
C1B C2B B11B B10B -0.4(3) . . . . ?
C1B C2B B11B B12B -63.6(3) . . . . ?
C1B B3B B4B B5B 32.7(2) . . . . ?
C1B B3B B4B B8B 133.7(2) . . . . ?
C1B B3B B4B B9B 96.9(2) . . . . ?
C1B B3B B7B C2B 34.9(2) . . . . ?
C1B B3B B7B B8B -99.7(2) . . . . ?
C1B B3B B7B B11B 0.4(3) . . . . ?
C1B B3B B7B B12B -63.6(3) . . . . ?
C1B B3B B8B B4B -39.7(2) . . . . ?
C1B B3B B8B B7B 96.8(2) . . . . ?
C1B B3B B8B B9B -3.5(3) . . . . ?
C1B B3B B8B B12B 60.4(3) . . . . ?
C1B B4B B5B B6B 34.1(2) . . . . ?
C1B B4B B5B B9B 134.6(2) . . . . ?
C1B B4B B5B B10B 97.2(2) . . . . ?
C1B B4B B8B B3B 40.0(2) . . . . ?
C1B B4B B8B B7B 0.8(3) . . . . ?
C1B B4B B8B B9B -99.5(2) . . . . ?
C1B B4B B8B B12B -62.4(3) . . . . ?
C1B B4B B9B B5B -39.1(2) . . . . ?
C1B B4B B9B B8B 98.5(2) . . . . ?
C1B B4B B9B B10B -2.0(3) . . . . ?
C1B B4B B9B B12B 61.7(3) . . . . ?
C1B B5B B6B C2B 35.3(2) . . . . ?
C1B B5B B6B B10B 134.6(2) . . . . ?
C1B B5B B6B B11B 96.8(2) . . . . ?
C1B B5B B9B B4B 39.3(2) . . . . ?
C1B B5B B9B B8B 1.7(3) . . . . ?
C1B B5B B9B B10B -99.2(2) . . . . ?
C1B B5B B9B B12B -61.2(3) . . . . ?
C1B B5B B10B B6B -39.4(2) . . . . ?
C1B B5B B10B B9B 99.0(2) . . . . ?
C1B B5B B10B B11B -2.0(3) . . . . ?
C1B B5B B10B B12B 61.2(3) . . . . ?
C1B B6B B10B B5B 38.8(2) . . . . ?
C1B B6B B10B B9B 1.6(3) . . . . ?
C1B B6B B10B B11B -99.1(2) . . . . ?
C1B B6B B10B B12B -61.7(3) . . . . ?
C1B B6B B11B C2B -36.2(2) . . . . ?
C1B B6B B11B B7B -2.5(3) . . . . ?
C1B B6B B11B B10B 98.8(3) . . . . ?
C1B B6B B11B B12B 60.8(3) . . . . ?
C2B C1B B3B N22B 108.5(3) . . . . ?
C2B C1B B3B B4B -137.6(2) . . . . ?
C2B C1B B3B B7B -34.9(2) . . . . ?
C2B C1B B3B B8B -97.1(2) . . . . ?
C2B C1B B4B B3B 40.2(2) . . . . ?
C2B C1B B4B B5B -102.9(2) . . . . ?
C2B C1B B4B B8B 0.2(3) . . . . ?
C2B C1B B4B B9B -63.0(3) . . . . ?
C2B C1B B5B B4B 104.1(2) . . . . ?
C2B C1B B5B B6B -37.7(2) . . . . ?
C2B C1B B5B B9B 64.5(3) . . . . ?
C2B C1B B5B B10B 1.8(3) . . . . ?
C2B C1B B6B B5B 139.0(2) . . . . ?
C2B C1B B6B B10B 99.2(2) . . . . ?
C2B C1B B6B B11B 36.5(2) . . . . ?
C2B B3B B4B C1B -35.60(19) . . . . ?
C2B B3B B4B B5B -2.9(3) . . . . ?
C2B B3B B4B B8B 98.1(2) . . . . ?
C2B B3B B4B B9B 61.3(3) . . . . ?
C2B B3B B7B B8B -134.6(2) . . . . ?
C2B B3B B7B B11B -34.5(2) . . . . ?
C2B B3B B7B B12B -98.4(2) . . . . ?
C2B B3B B8B B4B -98.5(2) . . . . ?
C2B B3B B8B B7B 37.90(19) . . . . ?
C2B B3B B8B B9B -62.4(3) . . . . ?
C2B B3B B8B B12B 1.6(3) . . . . ?
C2B B6B B10B B5B 99.1(2) . . . . ?
C2B B6B B10B B9B 62.0(3) . . . . ?
C2B B6B B10B B11B -38.8(2) . . . . ?
C2B B6B B10B B12B -1.3(3) . . . . ?
C2B B6B B11B B7B 33.8(2) . . . . ?
C2B B6B B11B B10B 135.0(2) . . . . ?
C2B B6B B11B B12B 97.0(2) . . . . ?
C2B B7B B8B B3B -40.5(2) . . . . ?
C2B B7B B8B B4B -1.5(3) . . . . ?
C2B B7B B8B B9B 61.4(3) . . . . ?
C2B B7B B8B B12B 99.2(2) . . . . ?
C2B B7B B11B B6B -34.2(2) . . . . ?
C2B B7B B11B B10B -97.6(3) . . . . ?
C2B B7B B11B B12B -135.6(2) . . . . ?
C2B B7B B12B B8B -99.8(2) . . . . ?
C2B B7B B12B B9B -61.9(3) . . . . ?
C2B B7B B12B B10B 1.2(3) . . . . ?
C2B B7B B12B B11B 38.4(2) . . . . ?
C2B B11B B12B B7B -38.1(2) . . . . ?
C2B B11B B12B B8B -0.7(3) . . . . ?
C2B B11B B12B B9B 62.8(3) . . . . ?
C2B B11B B12B B10B 99.8(2) . . . . ?
C13B O14B C15B O16B -4.3(5) . . . . ?
C13B O14B C15B C17B 173.3(3) . . . . ?
C15B C17B C18B O19B -56.1(3) . . . . ?
C17B N20B C21B S23B -5.0(4) . . . . ?
C17B N20B C21B N22B 174.8(3) . . . . ?
C21B N20B C17B C15B -156.4(3) . . . . ?
C21B N20B C17B C18B 83.7(4) . . . . ?
C21B N22B B3B C1B -166.2(3) . . . . ?
C21B N22B B3B C2B -101.3(3) . . . . ?
C21B N22B B3B B4B 125.7(3) . . . . ?
C21B N22B B3B B7B -32.9(5) . . . . ?
C21B N22B B3B B8B 48.1(5) . . . . ?
C24B C1B C2B C25B 2.1(4) . . . . ?
C24B C1B C2B B3B 108.3(3) . . . . ?
C24B C1B C2B B6B -106.0(3) . . . . ?
C24B C1B C2B B7B 146.9(3) . . . . ?
C24B C1B C2B B11B -145.4(3) . . . . ?
C24B C1B B3B N22B -1.4(4) . . . . ?
C24B C1B B3B C2B -109.9(3) . . . . ?
C24B C1B B3B B4B 112.5(3) . . . . ?
C24B C1B B3B B7B -144.8(3) . . . . ?
C24B C1B B3B B8B 152.9(3) . . . . ?
C24B C1B B4B B3B -106.9(3) . . . . ?
C24B C1B B4B B5B 109.9(3) . . . . ?
C24B C1B B4B B8B -147.0(3) . . . . ?
C24B C1B B4B B9B 149.8(3) . . . . ?
C24B C1B B5B B4B -111.8(3) . . . . ?
C24B C1B B5B B6B 106.3(3) . . . . ?
C24B C1B B5B B9B -151.4(3) . . . . ?
C24B C1B B5B B10B 145.8(3) . . . . ?
C24B C1B B6B C2B 109.5(3) . . . . ?
C24B C1B B6B B5B -111.6(3) . . . . ?
C24B C1B B6B B10B -151.3(3) . . . . ?
C24B C1B B6B B11B 146.0(3) . . . . ?
C25B C2B B3B N22B 5.1(4) . . . . ?
C25B C2B B3B C1B 109.3(3) . . . . ?
C25B C2B B3B B4B 145.7(3) . . . . ?
C25B C2B B3B B7B -112.4(3) . . . . ?
C25B C2B B3B B8B -152.0(3) . . . . ?
C25B C2B B6B C1B -109.3(3) . . . . ?
C25B C2B B6B B5B -144.6(3) . . . . ?
C25B C2B B6B B10B 152.6(3) . . . . ?
C25B C2B B6B B11B 113.0(3) . . . . ?
C25B C2B B7B B3B 106.1(3) . . . . ?
C25B C2B B7B B8B 145.5(3) . . . . ?
C25B C2B B7B B11B -112.5(3) . . . . ?
C25B C2B B7B B12B -151.6(3) . . . . ?
C25B C2B B11B B6B -107.3(3) . . . . ?
C25B C2B B11B B7B 111.2(3) . . . . ?
C25B C2B B11B B10B -146.8(3) . . . . ?
C25B C2B B11B B12B 150.0(3) . . . . ?
B3B N22B C21B S23B 172.6(2) . . . . ?
B3B N22B C21B N20B -7.2(5) . . . . ?
B3B C1B C2B C25B -106.2(3) . . . . ?
B3B C1B C2B B6B 145.7(2) . . . . ?
B3B C1B C2B B7B 38.6(2) . . . . ?
B3B C1B C2B B11B 106.3(2) . . . . ?
B3B C1B B4B B5B -143.2(2) . . . . ?
B3B C1B B4B B8B -40.0(2) . . . . ?
B3B C1B B4B B9B -103.3(2) . . . . ?
B3B C1B B5B B4B 35.4(2) . . . . ?
B3B C1B B5B B6B -106.5(3) . . . . ?
B3B C1B B5B B9B -4.2(3) . . . . ?
B3B C1B B5B B10B -67.0(3) . . . . ?
B3B C1B B6B C2B -33.6(2) . . . . ?
B3B C1B B6B B5B 105.4(3) . . . . ?
B3B C1B B6B B10B 65.6(3) . . . . ?
B3B C1B B6B B11B 3.0(3) . . . . ?
B3B C2B B6B C1B 32.1(2) . . . . ?
B3B C2B B6B B5B -3.3(3) . . . . ?
B3B C2B B6B B10B -66.0(3) . . . . ?
B3B C2B B6B B11B -105.6(2) . . . . ?
B3B C2B B7B B8B 39.4(2) . . . . ?
B3B C2B B7B B11B 141.4(2) . . . . ?
B3B C2B B7B B12B 102.2(2) . . . . ?
B3B C2B B11B B6B 104.5(2) . . . . ?
B3B C2B B11B B7B -37.0(2) . . . . ?
B3B C2B B11B B10B 65.0(3) . . . . ?
B3B C2B B11B B12B 1.8(3) . . . . ?
B3B B4B B5B C1B -33.1(2) . . . . ?
B3B B4B B5B B6B 1.0(3) . . . . ?
B3B B4B B5B B9B 101.5(3) . . . . ?
B3B B4B B5B B10B 64.1(3) . . . . ?
B3B B4B B8B B7B -39.3(2) . . . . ?
B3B B4B B8B B9B -139.6(2) . . . . ?
B3B B4B B8B B12B -102.5(3) . . . . ?
B3B B4B B9B B5B -101.4(3) . . . . ?
B3B B4B B9B B8B 36.1(2) . . . . ?
B3B B4B B9B B10B -64.3(3) . . . . ?
B3B B4B B9B B12B -0.7(3) . . . . ?
B3B B7B B8B B4B 39.1(2) . . . . ?
B3B B7B B8B B9B 101.9(2) . . . . ?
B3B B7B B8B B12B 139.7(2) . . . . ?
B3B B7B B11B C2B 35.5(2) . . . . ?
B3B B7B B11B B6B 1.3(3) . . . . ?
B3B B7B B11B B10B -62.1(3) . . . . ?
B3B B7B B11B B12B -100.1(3) . . . . ?
B3B B7B B12B B8B -35.6(2) . . . . ?
B3B B7B B12B B9B 2.3(3) . . . . ?
B3B B7B B12B B10B 65.4(3) . . . . ?
B3B B7B B12B B11B 102.6(2) . . . . ?
B3B B8B B9B B4B -36.5(2) . . . . ?
B3B B8B B9B B5B 1.2(3) . . . . ?
B3B B8B B9B B10B 64.3(3) . . . . ?
B3B B8B B9B B12B 102.0(3) . . . . ?
B3B B8B B12B B7B 36.7(2) . . . . ?
B3B B8B B12B B9B -100.9(3) . . . . ?
B3B B8B B12B B10B -63.4(3) . . . . ?
B3B B8B B12B B11B -0.6(3) . . . . ?
B4B C1B C2B C25B -146.0(3) . . . . ?
B4B C1B C2B B3B -39.8(2) . . . . ?
B4B C1B C2B B6B 105.9(2) . . . . ?
B4B C1B C2B B7B -1.2(3) . . . . ?
B4B C1B C2B B11B 66.5(3) . . . . ?
B4B C1B B3B N22B -113.9(3) . . . . ?
B4B C1B B3B C2B 137.6(2) . . . . ?
B4B C1B B3B B7B 102.7(2) . . . . ?
B4B C1B B3B B8B 40.5(2) . . . . ?
B4B C1B B5B B6B -141.9(2) . . . . ?
B4B C1B B5B B9B -39.6(2) . . . . ?
B4B C1B B5B B10B -102.4(3) . . . . ?
B4B C1B B6B C2B -102.3(2) . . . . ?
B4B C1B B6B B5B 36.7(2) . . . . ?
B4B C1B B6B B10B -3.1(3) . . . . ?
B4B C1B B6B B11B -65.8(3) . . . . ?
B4B B3B B7B C2B 95.7(2) . . . . ?
B4B B3B B7B B8B -38.9(2) . . . . ?
B4B B3B B7B B11B 61.2(3) . . . . ?
B4B B3B B7B B12B -2.7(3) . . . . ?
B4B B3B B8B B7B 136.4(2) . . . . ?
B4B B3B B8B B9B 36.1(2) . . . . ?
B4B B3B B8B B12B 100.1(2) . . . . ?
B4B B5B B6B C1B -34.0(2) . . . . ?
B4B B5B B6B C2B 1.3(3) . . . . ?
B4B B5B B6B B10B 100.6(3) . . . . ?
B4B B5B B6B B11B 62.8(3) . . . . ?
B4B B5B B9B B8B -37.6(2) . . . . ?
B4B B5B B9B B10B -138.4(3) . . . . ?
B4B B5B B9B B12B -100.5(3) . . . . ?
B4B B5B B10B B6B -101.3(2) . . . . ?
B4B B5B B10B B9B 37.1(2) . . . . ?
B4B B5B B10B B11B -63.9(3) . . . . ?
B4B B5B B10B B12B -0.6(3) . . . . ?
B4B B8B B9B B5B 37.7(2) . . . . ?
B4B B8B B9B B10B 100.8(3) . . . . ?
B4B B8B B9B B12B 138.5(3) . . . . ?
B4B B8B B12B B7B 100.8(2) . . . . ?
B4B B8B B12B B9B -36.8(2) . . . . ?
B4B B8B B12B B10B 0.7(3) . . . . ?
B4B B8B B12B B11B 63.5(3) . . . . ?
B4B B9B B10B B5B -37.1(2) . . . . ?
B4B B9B B10B B6B 0.2(3) . . . . ?
B4B B9B B10B B11B 63.3(3) . . . . ?
B4B B9B B10B B12B 100.4(3) . . . . ?
B4B B9B B12B B7B -1.0(3) . . . . ?
B4B B9B B12B B8B 36.8(2) . . . . ?
B4B B9B B12B B10B -101.0(3) . . . . ?
B4B B9B B12B B11B -64.3(3) . . . . ?
B5B C1B C2B C25B 146.7(3) . . . . ?
B5B C1B C2B B3B -107.2(2) . . . . ?
B5B C1B C2B B6B 38.5(2) . . . . ?
B5B C1B C2B B7B -68.6(3) . . . . ?
B5B C1B C2B B11B -0.9(3) . . . . ?
B5B C1B B3B N22B -149.4(3) . . . . ?
B5B C1B B3B C2B 102.1(2) . . . . ?
B5B C1B B3B B4B -35.5(2) . . . . ?
B5B C1B B3B B7B 67.2(3) . . . . ?
B5B C1B B3B B8B 4.9(3) . . . . ?
B5B C1B B4B B3B 143.2(2) . . . . ?
B5B C1B B4B B8B 103.1(2) . . . . ?
B5B C1B B4B B9B 39.9(2) . . . . ?
B5B C1B B6B C2B -139.0(2) . . . . ?
B5B C1B B6B B10B -39.7(2) . . . . ?
B5B C1B B6B B11B -102.4(3) . . . . ?
B5B B4B B8B B3B 101.4(2) . . . . ?
B5B B4B B8B B7B 62.1(3) . . . . ?
B5B B4B B8B B9B -38.2(2) . . . . ?
B5B B4B B8B B12B -1.1(3) . . . . ?
B5B B4B B9B B8B 137.6(3) . . . . ?
B5B B4B B9B B10B 37.1(2) . . . . ?
B5B B4B B9B B12B 100.7(3) . . . . ?
B5B B6B B10B B9B -37.1(2) . . . . ?
B5B B6B B10B B11B -137.9(2) . . . . ?
B5B B6B B10B B12B -100.4(3) . . . . ?
B5B B6B B11B C2B -97.2(2) . . . . ?
B5B B6B B11B B7B -63.4(3) . . . . ?
B5B B6B B11B B10B 37.8(2) . . . . ?
B5B B6B B11B B12B -0.2(3) . . . . ?
B5B B9B B10B B6B 37.3(2) . . . . ?
B5B B9B B10B B11B 100.4(3) . . . . ?
B5B B9B B10B B12B 137.6(2) . . . . ?
B5B B9B B12B B7B 62.2(3) . . . . ?
B5B B9B B12B B8B 100.0(2) . . . . ?
B5B B9B B12B B10B -37.8(2) . . . . ?
B5B B9B B12B B11B -1.1(3) . . . . ?
B5B B10B B11B C2B 1.5(3) . . . . ?
B5B B10B B11B B6B -37.6(2) . . . . ?
B5B B10B B11B B7B 62.6(3) . . . . ?
B5B B10B B11B B12B 100.3(3) . . . . ?
B5B B10B B12B B7B -63.3(3) . . . . ?
B5B B10B B12B B8B 0.0(3) . . . . ?
B5B B10B B12B B9B 37.7(2) . . . . ?
B5B B10B B12B B11B -100.8(3) . . . . ?
B6B C1B C2B C25B 108.1(3) . . . . ?
B6B C1B C2B B3B -145.7(2) . . . . ?
B6B C1B C2B B7B -107.1(2) . . . . ?
B6B C1B C2B B11B -39.4(2) . . . . ?
B6B C1B B3B N22B 141.2(3) . . . . ?
B6B C1B B3B C2B 32.7(2) . . . . ?
B6B C1B B3B B4B -104.9(3) . . . . ?
B6B C1B B3B B7B -2.1(3) . . . . ?
B6B C1B B3B B8B -64.4(3) . . . . ?
B6B C1B B4B B3B 106.4(3) . . . . ?
B6B C1B B4B B5B -36.7(2) . . . . ?
B6B C1B B4B B8B 66.4(3) . . . . ?
B6B C1B B4B B9B 3.2(3) . . . . ?
B6B C1B B5B B4B 141.9(2) . . . . ?
B6B C1B B5B B9B 102.2(3) . . . . ?
B6B C1B B5B B10B 39.5(2) . . . . ?
B6B C2B B3B N22B -136.8(3) . . . . ?
B6B C2B B3B C1B -32.5(2) . . . . ?
B6B C2B B3B B4B 3.9(3) . . . . ?
B6B C2B B3B B7B 105.8(3) . . . . ?
B6B C2B B3B B8B 66.2(3) . . . . ?
B6B C2B B7B B3B -104.4(3) . . . . ?
B6B C2B B7B B8B -65.0(3) . . . . ?
B6B C2B B7B B11B 37.0(2) . . . . ?
B6B C2B B7B B12B -2.1(3) . . . . ?
B6B C2B B11B B7B -141.5(3) . . . . ?
B6B C2B B11B B10B -39.5(2) . . . . ?
B6B C2B B11B B12B -102.6(3) . . . . ?
B6B B5B B9B B4B 101.4(3) . . . . ?
B6B B5B B9B B8B 63.9(3) . . . . ?
B6B B5B B9B B10B -37.0(2) . . . . ?
B6B B5B B9B B12B 1.0(3) . . . . ?
B6B B5B B10B B9B 138.4(2) . . . . ?
B6B B5B B10B B11B 37.4(2) . . . . ?
B6B B5B B10B B12B 100.6(3) . . . . ?
B6B B10B B11B C2B 39.1(2) . . . . ?
B6B B10B B11B B7B 100.3(3) . . . . ?
B6B B10B B11B B12B 137.9(2) . . . . ?
B6B B10B B12B B7B 0.1(3) . . . . ?
B6B B10B B12B B8B 63.4(3) . . . . ?
B6B B10B B12B B9B 101.1(3) . . . . ?
B6B B10B B12B B11B -37.4(2) . . . . ?
B6B B11B B12B B7B -100.2(2) . . . . ?
B6B B11B B12B B8B -62.8(3) . . . . ?
B6B B11B B12B B9B 0.8(3) . . . . ?
B6B B11B B12B B10B 37.7(2) . . . . ?
B7B C2B B3B N22B 117.5(3) . . . . ?
B7B C2B B3B C1B -138.3(2) . . . . ?
B7B C2B B3B B4B -101.9(2) . . . . ?
B7B C2B B3B B8B -39.6(2) . . . . ?
B7B C2B B6B C1B 100.3(3) . . . . ?
B7B C2B B6B B5B 65.0(3) . . . . ?
B7B C2B B6B B10B 2.2(3) . . . . ?
B7B C2B B6B B11B -37.4(2) . . . . ?
B7B C2B B11B B6B 141.5(3) . . . . ?
B7B C2B B11B B10B 102.0(2) . . . . ?
B7B C2B B11B B12B 38.8(2) . . . . ?
B7B B3B B4B C1B -94.8(2) . . . . ?
B7B B3B B4B B5B -62.0(3) . . . . ?
B7B B3B B4B B8B 38.9(2) . . . . ?
B7B B3B B4B B9B 2.1(3) . . . . ?
B7B B3B B8B B4B -136.4(2) . . . . ?
B7B B3B B8B B9B -100.3(3) . . . . ?
B7B B3B B8B B12B -36.3(2) . . . . ?
B7B B8B B9B B4B -100.9(2) . . . . ?
B7B B8B B9B B5B -63.2(3) . . . . ?
B7B B8B B9B B10B 0.0(3) . . . . ?
B7B B8B B9B B12B 37.7(2) . . . . ?
B7B B8B B12B B9B -137.6(2) . . . . ?
B7B B8B B12B B10B -100.1(3) . . . . ?
B7B B8B B12B B11B -37.3(2) . . . . ?
B7B B11B B12B B8B 37.4(2) . . . . ?
B7B B11B B12B B9B 100.9(2) . . . . ?
B7B B11B B12B B10B 137.8(2) . . . . ?
B8B B3B B4B C1B -133.7(2) . . . . ?
B8B B3B B4B B5B -100.9(3) . . . . ?
B8B B3B B4B B9B -36.8(2) . . . . ?
B8B B3B B7B C2B 134.6(2) . . . . ?
B8B B3B B7B B11B 100.1(3) . . . . ?
B8B B3B B7B B12B 36.1(2) . . . . ?
B8B B4B B5B C1B -96.1(3) . . . . ?
B8B B4B B5B B6B -62.0(3) . . . . ?
B8B B4B B5B B9B 38.4(2) . . . . ?
B8B B4B B5B B10B 1.1(3) . . . . ?
B8B B4B B9B B5B -137.6(3) . . . . ?
B8B B4B B9B B10B -100.4(3) . . . . ?
B8B B4B B9B B12B -36.8(2) . . . . ?
B8B B7B B11B C2B 98.1(2) . . . . ?
B8B B7B B11B B6B 63.9(3) . . . . ?
B8B B7B B11B B10B 0.5(3) . . . . ?
B8B B7B B11B B12B -37.5(2) . . . . ?
B8B B7B B12B B9B 37.9(2) . . . . ?
B8B B7B B12B B10B 101.0(3) . . . . ?
B8B B7B B12B B11B 138.2(2) . . . . ?
B8B B9B B10B B5B -100.1(3) . . . . ?
B8B B9B B10B B6B -62.8(3) . . . . ?
B8B B9B B10B B11B 0.4(3) . . . . ?
B8B B9B B10B B12B 37.5(2) . . . . ?
B8B B9B B12B B7B -37.8(2) . . . . ?
B8B B9B B12B B10B -137.8(2) . . . . ?
B8B B9B B12B B11B -101.1(2) . . . . ?
B9B B4B B5B C1B -134.6(2) . . . . ?
B9B B4B B5B B6B -100.5(3) . . . . ?
B9B B4B B5B B10B -37.4(2) . . . . ?
B9B B4B B8B B3B 139.6(2) . . . . ?
B9B B4B B8B B7B 100.3(3) . . . . ?
B9B B4B B8B B12B 37.1(2) . . . . ?
B9B B5B B6B C1B -97.3(2) . . . . ?
B9B B5B B6B C2B -62.0(3) . . . . ?
B9B B5B B6B B10B 37.3(2) . . . . ?
B9B B5B B6B B11B -0.5(3) . . . . ?
B9B B5B B10B B6B -138.4(2) . . . . ?
B9B B5B B10B B11B -101.0(2) . . . . ?
B9B B5B B10B B12B -37.8(2) . . . . ?
B9B B8B B12B B7B 137.6(2) . . . . ?
B9B B8B B12B B10B 37.5(2) . . . . ?
B9B B8B B12B B11B 100.3(3) . . . . ?
B9B B10B B11B C2B -61.7(3) . . . . ?
B9B B10B B11B B6B -100.8(3) . . . . ?
B9B B10B B11B B7B -0.5(3) . . . . ?
B9B B10B B11B B12B 37.1(2) . . . . ?
B9B B10B B12B B7B -101.0(3) . . . . ?
B9B B10B B12B B8B -37.7(2) . . . . ?
B9B B10B B12B B11B -138.5(2) . . . . ?
B10B B5B B6B C1B -134.6(2) . . . . ?
B10B B5B B6B C2B -99.3(2) . . . . ?
B10B B5B B6B B11B -37.8(2) . . . . ?
B10B B5B B9B B4B 138.4(3) . . . . ?
B10B B5B B9B B8B 100.9(3) . . . . ?
B10B B5B B9B B12B 38.0(2) . . . . ?
B10B B6B B11B C2B -135.0(2) . . . . ?
B10B B6B B11B B7B -101.2(3) . . . . ?
B10B B6B B11B B12B -38.0(2) . . . . ?
B10B B9B B12B B7B 100.0(2) . . . . ?
B10B B9B B12B B8B 137.8(2) . . . . ?
B10B B9B B12B B11B 36.8(2) . . . . ?
B10B B11B B12B B7B -137.8(2) . . . . ?
B10B B11B B12B B8B -100.5(3) . . . . ?
B10B B11B B12B B9B -36.9(2) . . . . ?
B11B C2B B3B N22B 154.9(3) . . . . ?
B11B C2B B3B C1B -100.9(2) . . . . ?
B11B C2B B3B B4B -64.4(3) . . . . ?
B11B C2B B3B B7B 37.4(2) . . . . ?
B11B C2B B3B B8B -2.2(3) . . . . ?
B11B C2B B6B C1B 137.7(2) . . . . ?
B11B C2B B6B B5B 102.3(3) . . . . ?
B11B C2B B6B B10B 39.6(2) . . . . ?
B11B C2B B7B B3B -141.4(2) . . . . ?
B11B C2B B7B B8B -102.0(2) . . . . ?
B11B C2B B7B B12B -39.1(2) . . . . ?
B11B B6B B10B B5B 137.9(2) . . . . ?
B11B B6B B10B B9B 100.8(3) . . . . ?
B11B B6B B10B B12B 37.5(2) . . . . ?
B11B B7B B8B B3B -102.2(2) . . . . ?
B11B B7B B8B B4B -63.1(3) . . . . ?
B11B B7B B8B B9B -0.3(3) . . . . ?
B11B B7B B8B B12B 37.5(2) . . . . ?
B11B B7B B12B B8B -138.2(2) . . . . ?
B11B B7B B12B B9B -100.3(3) . . . . ?
B11B B7B B12B B10B -37.3(2) . . . . ?
B11B B10B B12B B7B 37.5(2) . . . . ?
B11B B10B B12B B8B 100.8(3) . . . . ?
B11B B10B B12B B9B 138.5(2) . . . . ?
B12B B7B B8B B3B -139.7(2) . . . . ?
B12B B7B B8B B4B -100.7(2) . . . . ?
B12B B7B B8B B9B -37.8(2) . . . . ?
B12B B7B B11B C2B 135.6(2) . . . . ?
B12B B7B B11B B6B 101.4(3) . . . . ?
B12B B7B B11B B10B 38.0(2) . . . . ?
B12B B8B B9B B4B -138.5(3) . . . . ?
B12B B8B B9B B5B -100.9(3) . . . . ?
B12B B8B B9B B10B -37.7(2) . . . . ?
B12B B9B B10B B5B -137.6(2) . . . . ?
B12B B9B B10B B6B -100.3(3) . . . . ?
B12B B9B B10B B11B -37.1(2) . . . . ?
B12B B10B B11B C2B -98.8(2) . . . . ?
B12B B10B B11B B6B -137.9(2) . . . . ?
B12B B10B B11B B7B -37.7(2) . . . . ?
