# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_230802g_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2303636'
loop_
_audit_author_name
_audit_author_address
Liu 'Fudan University'
_audit_update_record             
;
2023-11-12 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H41 B20 N2 Rh S2'
_chemical_formula_weight         716.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.052(2)
_cell_length_b                   13.3058(15)
_cell_length_c                   13.995(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.388(8)
_cell_angle_gamma                90
_cell_volume                     3500.2(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9950
_cell_measurement_theta_min      3.39
_cell_measurement_theta_max      47.20

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_F_000             1456
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    3.494
_shelx_estimated_absorpt_T_min   0.475
_shelx_estimated_absorpt_T_max   0.572
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_T_max  0.750
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17259
_diffrn_reflns_av_unetI/netI     0.0885
_diffrn_reflns_av_R_equivalents  0.0708
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.541
_diffrn_reflns_theta_max         48.177
_diffrn_reflns_theta_full        48.177
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_point_group_measured_fraction_full 0.981
_reflns_number_total             4930
_reflns_number_gt                3307
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1128P)²+18.1134P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4930
_refine_ls_number_parameters     441
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0767
_refine_ls_wR_factor_ref         0.2238
_refine_ls_wR_factor_gt          0.1908
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Rh1 Rh 0.29394(4) 0.41273(5) 0.63836(5) 0.0292(3) Uani 1 1 d . . . . .
S1 S 0.40830(13) 0.45995(16) 0.71841(18) 0.0337(6) Uani 1 1 d . . . . .
S2 S 0.23918(14) 0.55621(16) 0.69300(18) 0.0356(7) Uani 1 1 d . . . . .
N1 N 0.4052(4) 0.2777(5) 0.8104(6) 0.0315(19) Uani 1 1 d . . . . .
N2 N 0.1681(4) 0.4232(5) 0.7931(6) 0.0317(19) Uani 1 1 d . . . . .
C1 C 0.5169(5) 0.3552(6) 0.8232(7) 0.033(2) Uani 1 1 d . . . . .
C2 C 0.5463(5) 0.2602(7) 0.8957(7) 0.034(2) Uani 1 1 d D . . . .
H2 H 0.516(4) 0.211(5) 0.922(6) 0.02(2) Uiso 1 1 d D . . . .
B3 B 0.5636(7) 0.2575(7) 0.7788(9) 0.036(3) Uani 1 1 d . . . . .
H3 H 0.539892 0.203823 0.720745 0.043 Uiso 1 1 calc R U . . .
B4 B 0.5804(6) 0.3847(9) 0.7539(10) 0.043(3) Uani 1 1 d . . . . .
H4 H 0.567886 0.415010 0.678415 0.052 Uiso 1 1 calc R U . . .
B5 B 0.5697(6) 0.4600(8) 0.8587(10) 0.044(3) Uani 1 1 d . . . . .
H5 H 0.550398 0.539588 0.851626 0.053 Uiso 1 1 calc R U . . .
B6 B 0.5460(7) 0.3777(8) 0.9477(9) 0.040(3) Uani 1 1 d . . . . .
H6 H 0.510224 0.401929 0.999400 0.048 Uiso 1 1 calc R U . . .
B7 B 0.6270(6) 0.2182(8) 0.8799(8) 0.032(3) Uani 1 1 d . . . . .
H7 H 0.645528 0.138285 0.887970 0.038 Uiso 1 1 calc R U . . .
B8 B 0.6514(6) 0.3008(9) 0.7912(9) 0.040(3) Uani 1 1 d . . . . .
H8 H 0.687596 0.275908 0.740188 0.048 Uiso 1 1 calc R U . . .
B9 B 0.6549(7) 0.4245(8) 0.8380(10) 0.048(3) Uani 1 1 d . . . . .
H9 H 0.693167 0.481362 0.817342 0.058 Uiso 1 1 calc R U . . .
B10 B 0.6319(7) 0.4207(8) 0.9583(10) 0.045(3) Uani 1 1 d . . . . .
H10 H 0.654601 0.474273 1.017032 0.055 Uiso 1 1 calc R U . . .
B11 B 0.6146(7) 0.2917(8) 0.9825(9) 0.040(3) Uani 1 1 d . . . . .
H11 H 0.624864 0.259208 1.057318 0.048 Uiso 1 1 calc R U . . .
B12 B 0.6834(7) 0.3217(8) 0.9154(10) 0.045(3) Uani 1 1 d . . . . .
H12 H 0.740842 0.310633 0.946668 0.053 Uiso 1 1 calc R U . . .
B13 B 0.1281(7) 0.6104(9) 0.9119(9) 0.043(3) Uani 1 1 d . . . . .
H13 H 0.164717 0.571856 0.971396 0.052 Uiso 1 1 calc R U . . .
B14 B 0.1579(7) 0.7072(8) 0.8406(9) 0.043(3) Uani 1 1 d . . . . .
H14 H 0.214638 0.732782 0.854065 0.052 Uiso 1 1 calc R U . . .
B15 B 0.1068(6) 0.7003(9) 0.7199(9) 0.043(3) Uani 1 1 d . . . . .
H15 H 0.130499 0.722124 0.654738 0.051 Uiso 1 1 calc R U . . .
B16 B 0.0469(7) 0.5973(9) 0.7157(11) 0.049(3) Uani 1 1 d . . . . .
H16 H 0.031473 0.550030 0.649330 0.059 Uiso 1 1 calc R U . . .
B17 B 0.0378(7) 0.6329(10) 0.9177(11) 0.058(4) Uani 1 1 d . . . . .
H17 H 0.014538 0.609196 0.982678 0.070 Uiso 1 1 calc R U . . .
B18 B 0.0971(7) 0.7347(10) 0.9211(11) 0.056(4) Uani 1 1 d . . . . .
H18 H 0.113185 0.780237 0.988447 0.067 Uiso 1 1 calc R U . . .
B19 B 0.0849(6) 0.7913(9) 0.8034(9) 0.044(3) Uani 1 1 d . . . . .
H19 H 0.093225 0.873650 0.793113 0.053 Uiso 1 1 calc R U . . .
B20 B 0.0167(7) 0.7225(9) 0.7263(10) 0.049(4) Uani 1 1 d . . . . .
H20 H -0.020057 0.759677 0.665989 0.059 Uiso 1 1 calc R U . . .
B21 B -0.0122(7) 0.6254(10) 0.7964(11) 0.055(4) Uani 1 1 d . . . . .
H21 H -0.068328 0.597230 0.781770 0.066 Uiso 1 1 calc R U . . .
B22 B 0.0112(7) 0.7444(9) 0.8523(10) 0.050(4) Uani 1 1 d . . . . .
H22 H -0.029633 0.796001 0.874798 0.060 Uiso 1 1 calc R U . . .
C3 C 0.4385(5) 0.3563(6) 0.7877(7) 0.034(2) Uani 1 1 d . . . . .
C4 C 0.3318(5) 0.2713(6) 0.7893(7) 0.030(2) Uani 1 1 d . . . . .
C5 C 0.2874(5) 0.3580(7) 0.7919(7) 0.030(2) Uani 1 1 d . . . . .
H5A H 0.309(6) 0.420(7) 0.810(8) 0.05(3) Uiso 1 1 d . . . . .
C6 C 0.2128(5) 0.3449(6) 0.7817(7) 0.029(2) Uani 1 1 d . . . . .
C7 C 0.1846(5) 0.2484(7) 0.7726(7) 0.036(2) Uani 1 1 d . . . . .
H7A H 0.134785 0.238684 0.768264 0.043 Uiso 1 1 calc R U . . .
C8 C 0.2295(5) 0.1653(7) 0.7696(7) 0.034(2) Uani 1 1 d . . . . .
H8A H 0.209321 0.099983 0.761209 0.041 Uiso 1 1 calc R U . . .
C9 C 0.3012(5) 0.1761(6) 0.7786(7) 0.034(2) Uani 1 1 d . . . . .
H9A H 0.330568 0.118475 0.777548 0.041 Uiso 1 1 calc R U . . .
C10 C 0.1789(5) 0.5132(7) 0.7622(7) 0.035(2) Uani 1 1 d . . . . .
C11 C 0.1288(5) 0.5947(6) 0.7883(7) 0.031(2) Uani 1 1 d . . . . .
C12 C 0.0600(6) 0.5530(8) 0.8333(8) 0.046(3) Uani 1 1 d D . . . .
H12A H 0.057(4) 0.476(4) 0.829(6) 0.03(2) Uiso 1 1 d D . . . .
C13 C 0.2146(5) 0.3918(7) 0.5067(6) 0.031(2) Uani 1 1 d . . . . .
C14 C 0.2701(5) 0.4577(6) 0.4864(6) 0.031(2) Uani 1 1 d . . . . .
C15 C 0.3354(5) 0.4024(7) 0.5033(7) 0.034(2) Uani 1 1 d . . . . .
C16 C 0.3201(5) 0.3022(7) 0.5330(7) 0.034(2) Uani 1 1 d . . . . .
C17 C 0.2459(5) 0.2960(7) 0.5318(6) 0.032(2) Uani 1 1 d . U . . .
C18 C 0.1369(5) 0.4179(8) 0.4887(8) 0.049(3) Uani 1 1 d . . . . .
H18A H 0.115335 0.393780 0.424447 0.074 Uiso 1 1 calc R U . . .
H18B H 0.131396 0.491031 0.491746 0.074 Uiso 1 1 calc R U . . .
H18C H 0.113389 0.386086 0.538103 0.074 Uiso 1 1 calc R U . . .
C19 C 0.2581(6) 0.5613(7) 0.4466(7) 0.041(3) Uani 1 1 d . . . . .
H19A H 0.304065 0.593785 0.445164 0.062 Uiso 1 1 calc R U . . .
H19B H 0.231212 0.600288 0.487832 0.062 Uiso 1 1 calc R U . . .
H19C H 0.231147 0.557906 0.380800 0.062 Uiso 1 1 calc R U . . .
C20 C 0.4063(6) 0.4380(8) 0.4836(8) 0.046(3) Uani 1 1 d . . . . .
H20A H 0.413321 0.415091 0.419251 0.068 Uiso 1 1 calc R U . . .
H20B H 0.444029 0.410689 0.532643 0.068 Uiso 1 1 calc R U . . .
H20C H 0.407835 0.511628 0.485840 0.068 Uiso 1 1 calc R U . . .
C21 C 0.3736(6) 0.2173(8) 0.5532(8) 0.053(3) Uani 1 1 d . . . . .
H21A H 0.359762 0.172685 0.602589 0.079 Uiso 1 1 calc R U . . .
H21B H 0.420893 0.245237 0.576461 0.079 Uiso 1 1 calc R U . . .
H21C H 0.374681 0.179239 0.493491 0.079 Uiso 1 1 calc R U . . .
C22 C 0.2048(6) 0.2019(7) 0.5409(7) 0.051(3) Uani 1 1 d . . . . .
H22A H 0.185767 0.176231 0.476162 0.076 Uiso 1 1 calc R U . . .
H22B H 0.165400 0.216315 0.575926 0.076 Uiso 1 1 calc R U . . .
H22C H 0.236148 0.151345 0.576443 0.076 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Rh1 C15 2.168(10) . ?
Rh1 C14 2.185(9) . ?
Rh1 C16 2.197(9) . ?
Rh1 C13 2.202(9) . ?
Rh1 C17 2.243(9) . ?
Rh1 C5 2.291(9) . ?
Rh1 S2 2.362(2) . ?
Rh1 S1 2.367(3) . ?
S1 C3 1.730(9) . ?
S2 C10 1.717(9) . ?
N1 C3 1.290(11) . ?
N1 C4 1.385(11) . ?
N2 C10 1.301(11) . ?
N2 C6 1.372(11) . ?
C1 C3 1.494(14) . ?
C1 C2 1.660(13) . ?
C1 B4 1.715(14) . ?
C1 B5 1.743(14) . ?
C1 B3 1.747(13) . ?
C1 B6 1.765(15) . ?
C2 B11 1.682(16) . ?
C2 B7 1.684(14) . ?
C2 B3 1.721(15) . ?
C2 B6 1.724(14) . ?
C2 H2 0.99(4) . ?
B3 B8 1.752(17) . ?
B3 B4 1.767(15) . ?
B3 B7 1.782(17) . ?
B3 H3 1.1200 . ?
B4 B8 1.766(16) . ?
B4 B9 1.771(19) . ?
B4 B5 1.815(18) . ?
B4 H4 1.1200 . ?
B5 B10 1.756(19) . ?
B5 B9 1.760(17) . ?
B5 B6 1.771(17) . ?
B5 H5 1.1200 . ?
B6 B10 1.718(18) . ?
B6 B11 1.746(16) . ?
B6 H6 1.1200 . ?
B7 B12 1.767(16) . ?
B7 B8 1.776(16) . ?
B7 B11 1.785(15) . ?
B7 H7 1.1200 . ?
B8 B12 1.768(18) . ?
B8 B9 1.769(17) . ?
B8 H8 1.1200 . ?
B9 B12 1.775(17) . ?
B9 B10 1.809(19) . ?
B9 H9 1.1200 . ?
B10 B11 1.790(15) . ?
B10 B12 1.802(17) . ?
B10 H10 1.1200 . ?
B11 B12 1.777(17) . ?
B11 H11 1.1200 . ?
B12 H12 1.1200 . ?
B13 C12 1.735(18) . ?
B13 C11 1.744(15) . ?
B13 B17 1.761(18) . ?
B13 B18 1.768(17) . ?
B13 B14 1.779(17) . ?
B13 H13 1.1200 . ?
B14 C11 1.717(14) . ?
B14 B18 1.781(16) . ?
B14 B19 1.794(17) . ?
B14 B15 1.808(18) . ?
B14 H14 1.1200 . ?
B15 C11 1.712(15) . ?
B15 B20 1.760(16) . ?
B15 B16 1.778(18) . ?
B15 B19 1.779(16) . ?
B15 H15 1.1200 . ?
B16 C11 1.718(17) . ?
B16 C12 1.728(18) . ?
B16 B21 1.760(18) . ?
B16 B20 1.778(16) . ?
B16 H16 1.1200 . ?
B17 C12 1.693(17) . ?
B17 B18 1.759(19) . ?
B17 B22 1.773(19) . ?
B17 B21 1.81(2) . ?
B17 H17 1.1200 . ?
B18 B22 1.76(2) . ?
B18 B19 1.792(19) . ?
B18 H18 1.1200 . ?
B19 B22 1.773(17) . ?
B19 B20 1.798(18) . ?
B19 H19 1.1200 . ?
B20 B21 1.763(19) . ?
B20 B22 1.806(19) . ?
B20 H20 1.1200 . ?
B21 C12 1.690(17) . ?
B21 B22 1.790(18) . ?
B21 H21 1.1200 . ?
B22 H22 1.1200 . ?
C4 C9 1.392(12) . ?
C4 C5 1.434(12) . ?
C5 C6 1.417(13) . ?
C5 H5A 0.94(10) . ?
C6 C7 1.389(12) . ?
C7 C8 1.403(13) . ?
C7 H7A 0.9500 . ?
C8 C9 1.359(13) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.527(13) . ?
C11 C12 1.642(14) . ?
C12 H12A 1.02(4) . ?
C13 C17 1.427(13) . ?
C13 C14 1.438(13) . ?
C13 C18 1.500(14) . ?
C14 C15 1.433(13) . ?
C14 C19 1.489(12) . ?
C15 C16 1.440(12) . ?
C15 C20 1.499(13) . ?
C16 C17 1.414(13) . ?
C16 C21 1.517(13) . ?
C17 C22 1.493(12) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?

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
C15 Rh1 C14 38.4(3) . . ?
C15 Rh1 C16 38.5(3) . . ?
C14 Rh1 C16 64.1(3) . . ?
C15 Rh1 C13 64.0(4) . . ?
C14 Rh1 C13 38.3(3) . . ?
C16 Rh1 C13 63.5(4) . . ?
C15 Rh1 C17 62.9(3) . . ?
C14 Rh1 C17 62.9(3) . . ?
C16 Rh1 C17 37.1(3) . . ?
C13 Rh1 C17 37.4(3) . . ?
C15 Rh1 C5 151.7(3) . . ?
C14 Rh1 C5 164.9(4) . . ?
C16 Rh1 C5 118.0(3) . . ?
C13 Rh1 C5 127.6(4) . . ?
C17 Rh1 C5 109.0(3) . . ?
C15 Rh1 S2 125.2(2) . . ?
C14 Rh1 S2 93.5(2) . . ?
C16 Rh1 S2 156.8(3) . . ?
C13 Rh1 S2 95.4(3) . . ?
C17 Rh1 S2 128.4(3) . . ?
C5 Rh1 S2 81.9(2) . . ?
C15 Rh1 S1 89.5(3) . . ?
C14 Rh1 S1 114.7(3) . . ?
C16 Rh1 S1 101.7(3) . . ?
C13 Rh1 S1 152.0(3) . . ?
C17 Rh1 S1 138.0(3) . . ?
C5 Rh1 S1 80.0(3) . . ?
S2 Rh1 S1 93.06(9) . . ?
C3 S1 Rh1 104.5(4) . . ?
C10 S2 Rh1 106.6(3) . . ?
C3 N1 C4 121.3(8) . . ?
C10 N2 C6 121.7(8) . . ?
C3 C1 C2 115.5(7) . . ?
C3 C1 B4 124.6(8) . . ?
C2 C1 B4 108.7(7) . . ?
C3 C1 B5 125.9(8) . . ?
C2 C1 B5 108.3(8) . . ?
B4 C1 B5 63.3(7) . . ?
C3 C1 B3 115.3(8) . . ?
C2 C1 B3 60.6(6) . . ?
B4 C1 B3 61.4(6) . . ?
B5 C1 B3 113.1(8) . . ?
C3 C1 B6 117.6(8) . . ?
C2 C1 B6 60.4(6) . . ?
B4 C1 B6 112.5(8) . . ?
B5 C1 B6 60.6(7) . . ?
B3 C1 B6 112.4(8) . . ?
C1 C2 B11 113.3(7) . . ?
C1 C2 B7 113.4(7) . . ?
B11 C2 B7 64.1(6) . . ?
C1 C2 B3 62.2(6) . . ?
B11 C2 B3 116.5(8) . . ?
B7 C2 B3 63.1(6) . . ?
C1 C2 B6 62.8(6) . . ?
B11 C2 B6 61.6(6) . . ?
B7 C2 B6 115.0(8) . . ?
B3 C2 B6 115.8(7) . . ?
C1 C2 H2 125(5) . . ?
B11 C2 H2 109(5) . . ?
B7 C2 H2 116(5) . . ?
B3 C2 H2 124(5) . . ?
B6 C2 H2 113(5) . . ?
C2 B3 C1 57.2(5) . . ?
C2 B3 B8 103.1(9) . . ?
C1 B3 B8 104.7(8) . . ?
C2 B3 B4 103.6(8) . . ?
C1 B3 B4 58.4(6) . . ?
B8 B3 B4 60.2(6) . . ?
C2 B3 B7 57.4(6) . . ?
C1 B3 B7 104.8(8) . . ?
B8 B3 B7 60.3(7) . . ?
B4 B3 B7 108.4(9) . . ?
C2 B3 H3 125.9 . . ?
C1 B3 H3 124.3 . . ?
B8 B3 H3 123.2 . . ?
B4 B3 H3 122.1 . . ?
B7 B3 H3 122.0 . . ?
C1 B4 B8 105.4(8) . . ?
C1 B4 B3 60.2(6) . . ?
B8 B4 B3 59.4(7) . . ?
C1 B4 B9 104.8(9) . . ?
B8 B4 B9 60.0(7) . . ?
B3 B4 B9 107.9(9) . . ?
C1 B4 B5 59.1(6) . . ?
B8 B4 B5 107.0(9) . . ?
B3 B4 B5 108.8(8) . . ?
B9 B4 B5 58.8(7) . . ?
C1 B4 H4 123.7 . . ?
B8 B4 H4 122.7 . . ?
B3 B4 H4 120.9 . . ?
B9 B4 H4 122.9 . . ?
B5 B4 H4 121.9 . . ?
C1 B5 B10 105.8(8) . . ?
C1 B5 B9 104.1(8) . . ?
B10 B5 B9 61.9(8) . . ?
C1 B5 B6 60.3(6) . . ?
B10 B5 B6 58.3(7) . . ?
B9 B5 B6 107.3(8) . . ?
C1 B5 B4 57.6(6) . . ?
B10 B5 B4 109.0(8) . . ?
B9 B5 B4 59.4(7) . . ?
B6 B5 B4 107.5(8) . . ?
C1 B5 H5 124.4 . . ?
B10 B5 H5 121.4 . . ?
B9 B5 H5 122.5 . . ?
B6 B5 H5 122.0 . . ?
B4 B5 H5 121.9 . . ?
B10 B6 C2 105.6(8) . . ?
B10 B6 B11 62.3(7) . . ?
C2 B6 B11 58.0(6) . . ?
B10 B6 C1 106.5(9) . . ?
C2 B6 C1 56.8(6) . . ?
B11 B6 C1 105.4(8) . . ?
B10 B6 B5 60.4(7) . . ?
C2 B6 B5 104.2(8) . . ?
B11 B6 B5 109.7(9) . . ?
C1 B6 B5 59.1(6) . . ?
B10 B6 H6 121.3 . . ?
C2 B6 H6 125.3 . . ?
B11 B6 H6 121.1 . . ?
C1 B6 H6 124.0 . . ?
B5 B6 H6 121.8 . . ?
C2 B7 B12 103.3(8) . . ?
C2 B7 B8 103.6(7) . . ?
B12 B7 B8 59.9(7) . . ?
C2 B7 B3 59.5(6) . . ?
B12 B7 B3 107.3(8) . . ?
B8 B7 B3 59.0(6) . . ?
C2 B7 B11 57.9(6) . . ?
B12 B7 B11 60.0(7) . . ?
B8 B7 B11 107.9(8) . . ?
B3 B7 B11 108.4(7) . . ?
C2 B7 H7 125.5 . . ?
B12 B7 H7 123.0 . . ?
B8 B7 H7 123.0 . . ?
B3 B7 H7 121.4 . . ?
B11 B7 H7 121.3 . . ?
B3 B8 B4 60.3(6) . . ?
B3 B8 B12 108.6(9) . . ?
B4 B8 B12 108.4(9) . . ?
B3 B8 B9 108.7(8) . . ?
B4 B8 B9 60.1(7) . . ?
B12 B8 B9 60.2(7) . . ?
B3 B8 B7 60.7(6) . . ?
B4 B8 B7 108.8(8) . . ?
B12 B8 B7 59.8(6) . . ?
B9 B8 B7 108.4(9) . . ?
B3 B8 H8 121.1 . . ?
B4 B8 H8 121.4 . . ?
B12 B8 H8 121.6 . . ?
B9 B8 H8 121.4 . . ?
B7 B8 H8 121.4 . . ?
B5 B9 B8 109.3(9) . . ?
B5 B9 B4 61.9(7) . . ?
B8 B9 B4 59.9(7) . . ?
B5 B9 B12 107.7(9) . . ?
B8 B9 B12 59.9(7) . . ?
B4 B9 B12 107.9(8) . . ?
B5 B9 B10 58.9(7) . . ?
B8 B9 B10 108.5(8) . . ?
B4 B9 B10 108.7(9) . . ?
B12 B9 B10 60.4(7) . . ?
B5 B9 H9 121.2 . . ?
B8 B9 H9 121.3 . . ?
B4 B9 H9 121.1 . . ?
B12 B9 H9 122.1 . . ?
B10 B9 H9 121.7 . . ?
B6 B10 B5 61.3(7) . . ?
B6 B10 B11 59.6(7) . . ?
B5 B10 B11 108.3(9) . . ?
B6 B10 B12 106.9(8) . . ?
B5 B10 B12 106.7(9) . . ?
B11 B10 B12 59.3(6) . . ?
B6 B10 B9 107.5(9) . . ?
B5 B10 B9 59.2(7) . . ?
B11 B10 B9 106.5(8) . . ?
B12 B10 B9 58.9(7) . . ?
B6 B10 H10 121.6 . . ?
B5 B10 H10 121.5 . . ?
B11 B10 H10 122.2 . . ?
B12 B10 H10 123.0 . . ?
B9 B10 H10 122.8 . . ?
C2 B11 B6 60.4(6) . . ?
C2 B11 B12 103.0(8) . . ?
B6 B11 B12 106.8(9) . . ?
C2 B11 B7 58.0(6) . . ?
B6 B11 B7 109.0(8) . . ?
B12 B11 B7 59.5(6) . . ?
C2 B11 B10 104.3(8) . . ?
B6 B11 B10 58.1(7) . . ?
B12 B11 B10 60.7(7) . . ?
B7 B11 B10 108.7(9) . . ?
C2 B11 H11 125.1 . . ?
B6 B11 H11 121.5 . . ?
B12 B11 H11 123.4 . . ?
B7 B11 H11 121.0 . . ?
B10 B11 H11 122.5 . . ?
B7 B12 B8 60.3(7) . . ?
B7 B12 B9 108.5(9) . . ?
B8 B12 B9 59.9(7) . . ?
B7 B12 B11 60.5(6) . . ?
B8 B12 B11 108.6(9) . . ?
B9 B12 B11 108.5(9) . . ?
B7 B12 B10 108.9(8) . . ?
B8 B12 B10 108.9(9) . . ?
B9 B12 B10 60.7(7) . . ?
B11 B12 B10 60.0(7) . . ?
B7 B12 H12 121.2 . . ?
B8 B12 H12 121.4 . . ?
B9 B12 H12 121.4 . . ?
B11 B12 H12 121.5 . . ?
B10 B12 H12 121.1 . . ?
C12 B13 C11 56.3(6) . . ?
C12 B13 B17 57.9(7) . . ?
C11 B13 B17 103.4(9) . . ?
C12 B13 B18 103.6(9) . . ?
C11 B13 B18 104.0(9) . . ?
B17 B13 B18 59.8(7) . . ?
C12 B13 B14 103.8(9) . . ?
C11 B13 B14 58.3(6) . . ?
B17 B13 B14 107.8(9) . . ?
B18 B13 B14 60.3(7) . . ?
C12 B13 H13 125.5 . . ?
C11 B13 H13 125.3 . . ?
B17 B13 H13 122.6 . . ?
B18 B13 H13 123.3 . . ?
B14 B13 H13 122.1 . . ?
C11 B14 B13 59.8(6) . . ?
C11 B14 B18 104.5(8) . . ?
B13 B14 B18 59.6(7) . . ?
C11 B14 B19 103.8(8) . . ?
B13 B14 B19 108.1(8) . . ?
B18 B14 B19 60.2(7) . . ?
C11 B14 B15 58.1(6) . . ?
B13 B14 B15 108.3(9) . . ?
B18 B14 B15 107.2(9) . . ?
B19 B14 B15 59.2(7) . . ?
C11 B14 H14 124.9 . . ?
B13 B14 H14 120.9 . . ?
B18 B14 H14 122.7 . . ?
B19 B14 H14 122.8 . . ?
B15 B14 H14 122.1 . . ?
C11 B15 B20 105.2(9) . . ?
C11 B15 B16 58.9(7) . . ?
B20 B15 B16 60.3(7) . . ?
C11 B15 B19 104.7(9) . . ?
B20 B15 B19 61.1(7) . . ?
B16 B15 B19 109.2(9) . . ?
C11 B15 B14 58.3(6) . . ?
B20 B15 B14 108.9(9) . . ?
B16 B15 B14 108.4(9) . . ?
B19 B15 B14 60.0(7) . . ?
C11 B15 H15 125.0 . . ?
B20 B15 H15 121.6 . . ?
B16 B15 H15 120.9 . . ?
B19 B15 H15 121.8 . . ?
B14 B15 H15 121.4 . . ?
C11 B16 C12 56.9(7) . . ?
C11 B16 B21 103.8(9) . . ?
C12 B16 B21 57.9(7) . . ?
C11 B16 B20 104.2(9) . . ?
C12 B16 B20 103.8(9) . . ?
B21 B16 B20 59.8(7) . . ?
C11 B16 B15 58.6(7) . . ?
C12 B16 B15 103.8(10) . . ?
B21 B16 B15 106.8(9) . . ?
B20 B16 B15 59.3(7) . . ?
C11 B16 H16 124.7 . . ?
C12 B16 H16 125.1 . . ?
B21 B16 H16 122.8 . . ?
B20 B16 H16 123.4 . . ?
B15 B16 H16 122.7 . . ?
C12 B17 B18 105.7(9) . . ?
C12 B17 B13 60.2(7) . . ?
B18 B17 B13 60.3(7) . . ?
C12 B17 B22 104.4(10) . . ?
B18 B17 B22 59.9(8) . . ?
B13 B17 B22 108.5(9) . . ?
C12 B17 B21 57.6(7) . . ?
B18 B17 B21 107.8(10) . . ?
B13 B17 B21 108.4(10) . . ?
B22 B17 B21 60.0(8) . . ?
C12 B17 H17 124.5 . . ?
B18 B17 H17 122.1 . . ?
B13 B17 H17 120.5 . . ?
B22 B17 H17 122.5 . . ?
B21 B17 H17 122.0 . . ?
B17 B18 B22 60.4(8) . . ?
B17 B18 B13 59.9(7) . . ?
B22 B18 B13 108.7(10) . . ?
B17 B18 B14 107.8(9) . . ?
B22 B18 B14 108.1(10) . . ?
B13 B18 B14 60.1(6) . . ?
B17 B18 B19 108.2(11) . . ?
B22 B18 B19 59.8(7) . . ?
B13 B18 B19 108.7(9) . . ?
B14 B18 B19 60.3(7) . . ?
B17 B18 H18 121.8 . . ?
B22 B18 H18 121.5 . . ?
B13 B18 H18 121.3 . . ?
B14 B18 H18 121.8 . . ?
B19 B18 H18 121.5 . . ?
B22 B19 B15 107.4(8) . . ?
B22 B19 B18 59.3(8) . . ?
B15 B19 B18 108.0(9) . . ?
B22 B19 B14 107.1(9) . . ?
B15 B19 B14 60.8(7) . . ?
B18 B19 B14 59.6(7) . . ?
B22 B19 B20 60.8(7) . . ?
B15 B19 B20 59.0(6) . . ?
B18 B19 B20 108.1(9) . . ?
B14 B19 B20 107.9(8) . . ?
B22 B19 H19 122.1 . . ?
B15 B19 H19 121.9 . . ?
B18 B19 H19 122.0 . . ?
B14 B19 H19 121.8 . . ?
B20 B19 H19 121.7 . . ?
B15 B20 B21 107.5(9) . . ?
B15 B20 B16 60.4(7) . . ?
B21 B20 B16 59.6(7) . . ?
B15 B20 B19 60.0(7) . . ?
B21 B20 B19 107.5(10) . . ?
B16 B20 B19 108.4(9) . . ?
B15 B20 B22 106.8(9) . . ?
B21 B20 B22 60.2(7) . . ?
B16 B20 B22 107.7(9) . . ?
B19 B20 B22 58.9(7) . . ?
B15 B20 H20 122.1 . . ?
B21 B20 H20 122.0 . . ?
B16 B20 H20 121.4 . . ?
B19 B20 H20 121.9 . . ?
B22 B20 H20 122.4 . . ?
C12 B21 B16 60.1(7) . . ?
C12 B21 B20 106.0(9) . . ?
B16 B21 B20 60.6(7) . . ?
C12 B21 B22 103.8(9) . . ?
B16 B21 B22 109.2(9) . . ?
B20 B21 B22 61.1(8) . . ?
C12 B21 B17 57.8(7) . . ?
B16 B21 B17 108.7(9) . . ?
B20 B21 B17 108.5(10) . . ?
B22 B21 B17 59.0(8) . . ?
C12 B21 H21 124.8 . . ?
B16 B21 H21 120.3 . . ?
B20 B21 H21 121.3 . . ?
B22 B21 H21 122.5 . . ?
B17 B21 H21 122.0 . . ?
B18 B22 B19 60.9(7) . . ?
B18 B22 B17 59.6(8) . . ?
B19 B22 B17 108.4(9) . . ?
B18 B22 B21 108.4(9) . . ?
B19 B22 B21 107.4(8) . . ?
B17 B22 B21 61.0(8) . . ?
B18 B22 B20 109.0(8) . . ?
B19 B22 B20 60.3(7) . . ?
B17 B22 B20 108.1(9) . . ?
B21 B22 B20 58.7(8) . . ?
B18 B22 H22 121.1 . . ?
B19 B22 H22 121.5 . . ?
B17 B22 H22 121.4 . . ?
B21 B22 H22 122.1 . . ?
B20 B22 H22 121.8 . . ?
N1 C3 C1 114.6(8) . . ?
N1 C3 S1 130.7(8) . . ?
C1 C3 S1 114.7(7) . . ?
N1 C4 C9 118.0(8) . . ?
N1 C4 C5 121.6(8) . . ?
C9 C4 C5 119.9(9) . . ?
C6 C5 C4 118.9(8) . . ?
C6 C5 Rh1 98.7(6) . . ?
C4 C5 Rh1 96.3(6) . . ?
C6 C5 H5A 122(6) . . ?
C4 C5 H5A 119(6) . . ?
Rh1 C5 H5A 83(7) . . ?
N2 C6 C7 118.3(9) . . ?
N2 C6 C5 121.8(8) . . ?
C7 C6 C5 119.3(8) . . ?
C6 C7 C8 120.2(9) . . ?
C6 C7 H7A 119.9 . . ?
C8 C7 H7A 119.9 . . ?
C9 C8 C7 121.5(9) . . ?
C9 C8 H8A 119.2 . . ?
C7 C8 H8A 119.2 . . ?
C8 C9 C4 120.1(9) . . ?
C8 C9 H9A 119.9 . . ?
C4 C9 H9A 119.9 . . ?
N2 C10 C11 115.8(8) . . ?
N2 C10 S2 130.6(7) . . ?
C11 C10 S2 113.5(7) . . ?
C10 C11 C12 114.9(7) . . ?
C10 C11 B15 123.7(8) . . ?
C12 C11 B15 110.7(8) . . ?
C10 C11 B14 123.4(8) . . ?
C12 C11 B14 110.7(7) . . ?
B15 C11 B14 63.6(7) . . ?
C10 C11 B16 114.5(8) . . ?
C12 C11 B16 61.9(7) . . ?
B15 C11 B16 62.4(7) . . ?
B14 C11 B16 115.7(8) . . ?
C10 C11 B13 115.4(8) . . ?
C12 C11 B13 61.5(7) . . ?
B15 C11 B13 114.5(8) . . ?
B14 C11 B13 61.8(7) . . ?
B16 C11 B13 115.5(8) . . ?
C11 C12 B21 110.5(8) . . ?
C11 C12 B17 111.2(8) . . ?
B21 C12 B17 64.6(8) . . ?
C11 C12 B16 61.2(7) . . ?
B21 C12 B16 62.0(7) . . ?
B17 C12 B16 115.9(9) . . ?
C11 C12 B13 62.1(6) . . ?
B21 C12 B13 115.5(9) . . ?
B17 C12 B13 61.8(7) . . ?
B16 C12 B13 115.5(9) . . ?
C11 C12 H12A 111(4) . . ?
B21 C12 H12A 121(5) . . ?
B17 C12 H12A 131(5) . . ?
B16 C12 H12A 106(5) . . ?
B13 C12 H12A 121(5) . . ?
C17 C13 C14 107.6(8) . . ?
C17 C13 C18 127.6(8) . . ?
C14 C13 C18 124.2(9) . . ?
C17 C13 Rh1 72.8(5) . . ?
C14 C13 Rh1 70.2(5) . . ?
C18 C13 Rh1 129.4(7) . . ?
C15 C14 C13 107.5(8) . . ?
C15 C14 C19 127.8(9) . . ?
C13 C14 C19 124.5(9) . . ?
C15 C14 Rh1 70.2(5) . . ?
C13 C14 Rh1 71.5(5) . . ?
C19 C14 Rh1 127.7(6) . . ?
C14 C15 C16 108.2(8) . . ?
C14 C15 C20 126.3(8) . . ?
C16 C15 C20 125.2(9) . . ?
C14 C15 Rh1 71.4(5) . . ?
C16 C15 Rh1 71.8(5) . . ?
C20 C15 Rh1 127.5(7) . . ?
C17 C16 C15 107.5(8) . . ?
C17 C16 C21 126.8(9) . . ?
C15 C16 C21 125.6(9) . . ?
C17 C16 Rh1 73.2(5) . . ?
C15 C16 Rh1 69.7(5) . . ?
C21 C16 Rh1 126.3(7) . . ?
C16 C17 C13 109.1(8) . . ?
C16 C17 C22 125.9(9) . . ?
C13 C17 C22 124.5(9) . . ?
C16 C17 Rh1 69.7(5) . . ?
C13 C17 Rh1 69.7(5) . . ?
C22 C17 Rh1 133.4(7) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

_refine_diff_density_max         1.560
_refine_diff_density_min         -1.785
_refine_diff_density_rms         0.163

# start Validation Reply Form
_vrf_PLAT973_230802g_0ma_a       
;
PROBLEM: Check Calcd Positive Resid. Density on       Rh1       2.30 eA-3  
RESPONSE: The large residual peak of 2.30 electrons per \%A^3^, located 0.97
 \%A from the Rhodium atom, may be the result of residual absorption errors.
;
# end Validation Reply Form

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_230806d_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2303638'
loop_
_audit_author_name
_audit_author_address
'Xin-Ran Liu'
;Fudan university
China
;
_audit_update_record             
;
2023-10-25 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H42 B20 F3 Ir N2 O3 S3'
_chemical_formula_weight         956.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -5.7005 5.2682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   11.6139(5)
_cell_length_b                   13.1923(6)
_cell_length_c                   13.5261(6)
_cell_angle_alpha                98.948(2)
_cell_angle_beta                 101.424(2)
_cell_angle_gamma                91.727(2)
_cell_volume                     2002.63(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9832
_cell_measurement_theta_min      3.31
_cell_measurement_theta_max      50.47

_exptl_crystal_description       rod
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_F_000             940
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    5.489
_shelx_estimated_absorpt_T_min   0.309
_shelx_estimated_absorpt_T_max   0.378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.439
_exptl_absorpt_correction_T_max  0.750
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25232
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.811
_diffrn_reflns_theta_max         52.000
_diffrn_reflns_theta_full        52.000
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measured_fraction_theta_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_point_group_measured_fraction_full 0.962
_reflns_number_total             6539
_reflns_number_gt                6053
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 In asymmetric unit of this data, one triflate anion was 
 disordered and it was divided into two parts (69:31). 16 
 ISOR, 1 SIMU and 5 DFIX instructions were used to restrain 
 anion and ligand so that there were 107 restraints in the 
 data. Hydrogen of N1, N2, C2, C12 were found in difference 
 fourier map and others were put in calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+15.6037P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6539
_refine_ls_number_parameters     584
_refine_ls_number_restraints     107
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.1000
_refine_ls_wR_factor_gt          0.0958
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ir1 Ir 0.71351(2) 0.26569(2) 0.75061(2) 0.02665(10) Uani 1 1 d . . . . .
S1 S 0.70130(13) 0.35423(10) 0.61338(11) 0.0290(3) Uani 1 1 d . . . . .
S2 S 0.56963(13) 0.13984(10) 0.66235(11) 0.0294(3) Uani 1 1 d . . . . .
N1 N 0.6616(4) 0.5129(4) 0.7482(4) 0.0322(11) Uani 1 1 d . . . . .
H1 H 0.670(6) 0.580(5) 0.776(5) 0.038(18) Uiso 1 1 d . . . . .
N2 N 0.4563(5) 0.2022(4) 0.8128(4) 0.0324(12) Uani 1 1 d . . . . .
H2 H 0.413(6) 0.184(5) 0.852(5) 0.04(2) Uiso 1 1 d . . . . .
C1 C 0.7390(5) 0.5554(4) 0.6047(5) 0.0289(13) Uani 1 1 d . . . . .
C2 C 0.7285(6) 0.6794(4) 0.6418(6) 0.0406(16) Uani 1 1 d D . . . .
H2A H 0.696(6) 0.694(6) 0.707(4) 0.06(2) Uiso 1 1 d D . . . .
B3 B 0.8669(7) 0.6320(6) 0.6596(7) 0.0436(19) Uani 1 1 d . . . . .
H3 H 0.924302 0.626373 0.735330 0.052 Uiso 1 1 calc R U . . .
B4 B 0.8589(6) 0.5368(5) 0.5495(6) 0.0365(17) Uani 1 1 d . . . . .
H4 H 0.912298 0.467638 0.552444 0.044 Uiso 1 1 calc R U . . .
B5 B 0.7135(6) 0.5283(6) 0.4737(6) 0.0354(16) Uani 1 1 d . . . . .
H5 H 0.671669 0.453978 0.426984 0.042 Uiso 1 1 calc R U . . .
B6 B 0.6299(6) 0.6202(6) 0.5367(6) 0.0372(17) Uani 1 1 d . . . . .
H6 H 0.533189 0.607046 0.532389 0.045 Uiso 1 1 calc R U . . .
B7 B 0.8400(8) 0.7510(6) 0.6176(7) 0.049(2) Uani 1 1 d . . . . .
H7 H 0.880963 0.824689 0.666350 0.059 Uiso 1 1 calc R U . . .
B8 B 0.9231(7) 0.6614(6) 0.5545(7) 0.0445(19) Uani 1 1 d . . . . .
H8 H 1.019946 0.675217 0.559790 0.053 Uiso 1 1 calc R U . . .
B9 B 0.8295(7) 0.5982(6) 0.4408(6) 0.0398(18) Uani 1 1 d . . . . .
H9 H 0.864406 0.570263 0.370618 0.048 Uiso 1 1 calc R U . . .
B10 B 0.6879(7) 0.6487(7) 0.4327(7) 0.046(2) Uani 1 1 d . . . . .
H10 H 0.629055 0.654167 0.357557 0.055 Uiso 1 1 calc R U . . .
B11 B 0.6966(7) 0.7440(6) 0.5441(8) 0.048(2) Uani 1 1 d . . . . .
H11 H 0.643311 0.813358 0.544178 0.058 Uiso 1 1 calc R U . . .
B12 B 0.8189(7) 0.7317(6) 0.4831(7) 0.047(2) Uani 1 1 d . . . . .
H12 H 0.846422 0.792120 0.441285 0.056 Uiso 1 1 calc R U . . .
B13 B 0.4689(7) -0.0775(6) 0.7542(6) 0.0404(18) Uani 1 1 d . . . . .
H13 H 0.565275 -0.077156 0.787572 0.048 Uiso 1 1 calc R U . . .
B14 B 0.3718(7) -0.0194(6) 0.8278(6) 0.0398(18) Uani 1 1 d . . . . .
H14 H 0.401695 0.018710 0.909358 0.048 Uiso 1 1 calc R U . . .
B15 B 0.2590(6) 0.0289(6) 0.7415(6) 0.0390(17) Uani 1 1 d . . . . .
H15 H 0.213735 0.099086 0.766917 0.047 Uiso 1 1 calc R U . . .
B16 B 0.2910(7) 0.0041(6) 0.6173(6) 0.0368(16) Uani 1 1 d . . . . .
H16 H 0.268892 0.057768 0.560670 0.044 Uiso 1 1 calc R U . . .
B17 B 0.3963(7) -0.1831(6) 0.6646(7) 0.046(2) Uani 1 1 d . . . . .
H17 H 0.441873 -0.252877 0.638577 0.055 Uiso 1 1 calc R U . . .
B18 B 0.3655(8) -0.1555(7) 0.7898(7) 0.049(2) Uani 1 1 d . . . . .
H18 H 0.390705 -0.207703 0.847345 0.059 Uiso 1 1 calc R U . . .
B19 B 0.2336(7) -0.0894(7) 0.7805(6) 0.046(2) Uani 1 1 d . . . . .
H19 H 0.170484 -0.098491 0.831767 0.055 Uiso 1 1 calc R U . . .
B20 B 0.1829(7) -0.0747(6) 0.6506(6) 0.0437(19) Uani 1 1 d . . . . .
H20 H 0.087194 -0.073983 0.615581 0.052 Uiso 1 1 calc R U . . .
B21 B 0.2848(7) -0.1320(6) 0.5800(6) 0.0423(18) Uani 1 1 d . . . . .
H21 H 0.256946 -0.168614 0.497824 0.051 Uiso 1 1 calc R U . . .
B22 B 0.2496(7) -0.1899(6) 0.6811(7) 0.048(2) Uani 1 1 d . . . . .
H22 H 0.197287 -0.265358 0.666715 0.057 Uiso 1 1 calc R U . . .
C3 C 0.6983(5) 0.4791(4) 0.6637(4) 0.0254(12) Uani 1 1 d . . . . .
C4 C 0.5816(5) 0.4576(4) 0.7927(5) 0.0321(13) Uani 1 1 d . . . . .
C5 C 0.5804(5) 0.3518(4) 0.7902(4) 0.0291(13) Uani 1 1 d . U . . .
C6 C 0.4846(6) 0.3106(4) 0.8239(4) 0.0322(13) Uani 1 1 d . . . . .
C7 C 0.4034(6) 0.3709(5) 0.8641(6) 0.0480(18) Uani 1 1 d . . . . .
H7A H 0.340913 0.339911 0.887132 0.058 Uiso 1 1 calc R U . . .
C8 C 0.4146(7) 0.4754(6) 0.8702(7) 0.059(2) Uani 1 1 d . . . . .
H8A H 0.361335 0.517300 0.900197 0.071 Uiso 1 1 calc R U . . .
C9 C 0.5021(6) 0.5204(5) 0.8334(6) 0.0466(18) Uani 1 1 d . . . . .
H9A H 0.508432 0.592732 0.835662 0.056 Uiso 1 1 calc R U . . .
C10 C 0.4749(5) 0.1294(4) 0.7400(5) 0.0292(13) Uani 1 1 d . . . . .
C11 C 0.4006(5) 0.0296(5) 0.7247(5) 0.0311(13) Uani 1 1 d . . . . .
C12 C 0.4164(6) -0.0640(5) 0.6313(5) 0.0398(16) Uani 1 1 d D . . . .
H12A H 0.476(5) -0.049(5) 0.588(4) 0.037(17) Uiso 1 1 d D . . . .
C13 C 0.8897(5) 0.3269(5) 0.8366(5) 0.0354(14) Uani 1 1 d . . . . .
C14 C 0.8242(6) 0.2952(5) 0.9063(5) 0.0368(14) Uani 1 1 d . . . . .
C15 C 0.7945(5) 0.1874(5) 0.8758(4) 0.0322(13) Uani 1 1 d . . . . .
C16 C 0.8468(5) 0.1496(4) 0.7894(5) 0.0317(13) Uani 1 1 d . . . . .
C17 C 0.9046(6) 0.2370(5) 0.7651(5) 0.0408(16) Uani 1 1 d . . . . .
C18 C 0.9478(6) 0.4308(5) 0.8426(6) 0.0502(19) Uani 1 1 d . . . . .
H18A H 1.028183 0.434044 0.882906 0.075 Uiso 1 1 calc R U . . .
H18B H 0.903089 0.483251 0.875281 0.075 Uiso 1 1 calc R U . . .
H18C H 0.950111 0.443434 0.773461 0.075 Uiso 1 1 calc R U . . .
C19 C 0.7956(7) 0.3614(6) 0.9965(6) 0.056(2) Uani 1 1 d . . . . .
H19A H 0.721222 0.335246 1.009811 0.084 Uiso 1 1 calc R U . . .
H19B H 0.788044 0.431947 0.982786 0.084 Uiso 1 1 calc R U . . .
H19C H 0.858658 0.360712 1.056395 0.084 Uiso 1 1 calc R U . . .
C20 C 0.7325(7) 0.1205(6) 0.9332(5) 0.0483(18) Uani 1 1 d . . . . .
H20A H 0.790276 0.098625 0.987747 0.072 Uiso 1 1 calc R U . . .
H20B H 0.693282 0.059908 0.885839 0.072 Uiso 1 1 calc R U . . .
H20C H 0.673892 0.159814 0.963037 0.072 Uiso 1 1 calc R U . . .
C21 C 0.8436(7) 0.0423(5) 0.7382(6) 0.0443(17) Uani 1 1 d . . . . .
H21A H 0.910561 0.008446 0.772355 0.066 Uiso 1 1 calc R U . . .
H21B H 0.848243 0.041104 0.666463 0.066 Uiso 1 1 calc R U . . .
H21C H 0.770041 0.006048 0.741684 0.066 Uiso 1 1 calc R U . . .
C22 C 0.9756(6) 0.2360(6) 0.6826(6) 0.0503(18) Uani 1 1 d . . . . .
H22A H 0.953351 0.291936 0.644108 0.076 Uiso 1 1 calc R U . . .
H22B H 0.959970 0.170024 0.636164 0.076 Uiso 1 1 calc R U . . .
H22C H 1.059648 0.245386 0.714102 0.076 Uiso 1 1 calc R U . . .
S3 S 0.7527(2) 0.7413(2) 0.9620(2) 0.0370(9) Uani 0.687(6) 1 d . U P A 1
O1 O 0.6787(16) 0.7976(9) 1.0234(12) 0.049(3) Uani 0.687(6) 1 d . U P A 1
O2 O 0.6990(8) 0.7204(6) 0.8551(7) 0.050(2) Uani 0.687(6) 1 d . U P A 1
O3 O 0.8034(8) 0.6542(6) 0.9996(7) 0.069(3) Uani 0.687(6) 1 d . U P A 1
C23 C 0.8754(18) 0.8300(11) 0.9659(11) 0.044(3) Uani 0.687(6) 1 d . U P A 1
F1 F 0.9594(13) 0.7900(14) 0.9221(16) 0.078(3) Uani 0.687(6) 1 d . U P A 1
F2 F 0.8437(7) 0.9074(6) 0.9218(7) 0.087(3) Uani 0.687(6) 1 d . U P A 1
F3 F 0.9289(8) 0.8666(9) 1.0629(7) 0.086(3) Uani 0.687(6) 1 d . U P A 1
S3' S 0.7150(5) 0.7945(4) 0.9270(4) 0.0311(17) Uani 0.313(6) 1 d . U P A 2
O1' O 0.659(3) 0.8313(18) 1.005(2) 0.048(7) Uani 0.313(6) 1 d . U P A 2
O2' O 0.709(2) 0.6821(16) 0.8979(16) 0.056(5) Uani 0.313(6) 1 d . U P A 2
O3' O 0.7035(14) 0.8498(11) 0.8445(11) 0.045(4) Uani 0.313(6) 1 d . U P A 2
C23' C 0.871(4) 0.8189(18) 0.995(2) 0.051(9) Uani 0.313(6) 1 d D U P A 2
F1' F 0.933(4) 0.774(4) 0.930(4) 0.078(3) Uani 0.313(6) 1 d D . P A 2
F2' F 0.8854(18) 0.7671(19) 1.0717(14) 0.104(7) Uani 0.313(6) 1 d D U P A 2
F3' F 0.8946(17) 0.9186(14) 1.0262(18) 0.080(6) Uani 0.313(6) 1 d D U P A 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Ir1 C5 2.052(6) . ?
Ir1 C15 2.189(6) . ?
Ir1 C13 2.204(6) . ?
Ir1 C14 2.210(6) . ?
Ir1 C17 2.238(6) . ?
Ir1 C16 2.255(6) . ?
Ir1 S2 2.3237(14) . ?
Ir1 S1 2.3259(15) . ?
S1 C3 1.686(5) . ?
S2 C10 1.681(6) . ?
N1 C3 1.317(7) . ?
N1 C4 1.441(8) . ?
N1 H1 0.90(7) . ?
N2 C10 1.319(7) . ?
N2 C6 1.435(8) . ?
N2 H2 0.86(7) . ?
C1 C3 1.498(8) . ?
C1 C2 1.650(8) . ?
C1 B4 1.712(9) . ?
C1 B5 1.715(9) . ?
C1 B3 1.738(9) . ?
C1 B6 1.741(9) . ?
C2 B11 1.669(11) . ?
C2 B7 1.693(10) . ?
C2 B6 1.701(11) . ?
C2 B3 1.729(10) . ?
C2 H2A 1.02(4) . ?
B3 B8 1.766(12) . ?
B3 B7 1.767(12) . ?
B3 B4 1.777(11) . ?
B3 H3 1.1200 . ?
B4 B9 1.766(11) . ?
B4 B8 1.770(10) . ?
B4 B5 1.784(10) . ?
B4 H4 1.1200 . ?
B5 B9 1.775(10) . ?
B5 B10 1.776(11) . ?
B5 B6 1.794(10) . ?
B5 H5 1.1200 . ?
B6 B10 1.761(11) . ?
B6 B11 1.766(10) . ?
B6 H6 1.1200 . ?
B7 B11 1.754(13) . ?
B7 B12 1.763(13) . ?
B7 B8 1.772(11) . ?
B7 H7 1.1200 . ?
B8 B9 1.768(12) . ?
B8 B12 1.772(12) . ?
B8 H8 1.1200 . ?
B9 B12 1.781(10) . ?
B9 B10 1.783(11) . ?
B9 H9 1.1200 . ?
B10 B11 1.790(13) . ?
B10 B12 1.799(11) . ?
B10 H10 1.1200 . ?
B11 B12 1.777(10) . ?
B11 H11 1.1200 . ?
B12 H12 1.1200 . ?
B13 C12 1.692(11) . ?
B13 C11 1.703(10) . ?
B13 B18 1.744(11) . ?
B13 B14 1.764(11) . ?
B13 B17 1.766(11) . ?
B13 H13 1.1200 . ?
B14 C11 1.711(9) . ?
B14 B19 1.777(11) . ?
B14 B15 1.778(12) . ?
B14 B18 1.784(12) . ?
B14 H14 1.1200 . ?
B15 C11 1.704(9) . ?
B15 B19 1.758(11) . ?
B15 B20 1.770(11) . ?
B15 B16 1.775(10) . ?
B15 H15 1.1200 . ?
B16 C11 1.713(10) . ?
B16 C12 1.728(10) . ?
B16 B20 1.775(11) . ?
B16 B21 1.784(10) . ?
B16 H16 1.1200 . ?
B17 C12 1.722(10) . ?
B17 B22 1.764(12) . ?
B17 B21 1.774(12) . ?
B17 B18 1.785(12) . ?
B17 H17 1.1200 . ?
B18 B22 1.776(12) . ?
B18 B19 1.778(13) . ?
B18 H18 1.1200 . ?
B19 B22 1.777(12) . ?
B19 B20 1.782(12) . ?
B19 H19 1.1200 . ?
B20 B21 1.777(11) . ?
B20 B22 1.794(12) . ?
B20 H20 1.1200 . ?
B21 C12 1.711(10) . ?
B21 B22 1.774(12) . ?
B21 H21 1.1200 . ?
B22 H22 1.1200 . ?
C4 C5 1.389(8) . ?
C4 C9 1.396(8) . ?
C5 C6 1.408(8) . ?
C6 C7 1.390(8) . ?
C7 C8 1.370(10) . ?
C7 H7A 0.9500 . ?
C8 C9 1.374(10) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.516(8) . ?
C11 C12 1.666(8) . ?
C12 H12A 1.03(4) . ?
C13 C14 1.426(9) . ?
C13 C17 1.447(9) . ?
C13 C18 1.493(9) . ?
C14 C15 1.429(9) . ?
C14 C19 1.486(9) . ?
C15 C16 1.449(8) . ?
C15 C20 1.514(9) . ?
C16 C17 1.431(9) . ?
C16 C21 1.472(9) . ?
C17 C22 1.512(9) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
S3 O3 1.424(8) . ?
S3 O2 1.438(9) . ?
S3 O1 1.453(16) . ?
S3 C23 1.804(19) . ?
C23 F2 1.288(17) . ?
C23 F1 1.320(18) . ?
C23 F3 1.343(17) . ?
S3' O1' 1.37(3) . ?
S3' O3' 1.413(15) . ?
S3' O2' 1.47(2) . ?
S3' C23' 1.86(5) . ?
C23' F2' 1.314(19) . ?
C23' F3' 1.32(2) . ?
C23' F1' 1.32(2) . ?

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
C5 Ir1 C15 110.8(2) . . ?
C5 Ir1 C13 113.3(2) . . ?
C15 Ir1 C13 63.3(2) . . ?
C5 Ir1 C14 94.3(2) . . ?
C15 Ir1 C14 37.9(2) . . ?
C13 Ir1 C14 37.7(2) . . ?
C5 Ir1 C17 151.3(2) . . ?
C15 Ir1 C17 62.8(2) . . ?
C13 Ir1 C17 38.0(2) . . ?
C14 Ir1 C17 63.0(2) . . ?
C5 Ir1 C16 148.4(2) . . ?
C15 Ir1 C16 38.0(2) . . ?
C13 Ir1 C16 63.2(2) . . ?
C14 Ir1 C16 63.4(2) . . ?
C17 Ir1 C16 37.1(2) . . ?
C5 Ir1 S2 87.63(16) . . ?
C15 Ir1 S2 99.67(17) . . ?
C13 Ir1 S2 156.22(16) . . ?
C14 Ir1 S2 134.62(18) . . ?
C17 Ir1 S2 120.66(19) . . ?
C16 Ir1 S2 93.06(16) . . ?
C5 Ir1 S1 86.53(17) . . ?
C15 Ir1 S1 158.40(17) . . ?
C13 Ir1 S1 98.60(18) . . ?
C14 Ir1 S1 131.72(18) . . ?
C17 Ir1 S1 95.76(17) . . ?
C16 Ir1 S1 124.85(15) . . ?
S2 Ir1 S1 93.66(5) . . ?
C3 S1 Ir1 105.3(2) . . ?
C10 S2 Ir1 106.1(2) . . ?
C3 N1 C4 125.8(5) . . ?
C3 N1 H1 121(4) . . ?
C4 N1 H1 111(4) . . ?
C10 N2 C6 127.5(5) . . ?
C10 N2 H2 116(5) . . ?
C6 N2 H2 116(5) . . ?
C3 C1 C2 119.8(5) . . ?
C3 C1 B4 121.6(5) . . ?
C2 C1 B4 109.9(5) . . ?
C3 C1 B5 119.9(5) . . ?
C2 C1 B5 109.8(5) . . ?
B4 C1 B5 62.7(4) . . ?
C3 C1 B3 118.5(5) . . ?
C2 C1 B3 61.3(4) . . ?
B4 C1 B3 62.0(4) . . ?
B5 C1 B3 113.9(5) . . ?
C3 C1 B6 116.4(5) . . ?
C2 C1 B6 60.2(4) . . ?
B4 C1 B6 113.8(5) . . ?
B5 C1 B6 62.5(4) . . ?
B3 C1 B6 113.3(5) . . ?
C1 C2 B11 112.9(6) . . ?
C1 C2 B7 111.8(5) . . ?
B11 C2 B7 62.9(5) . . ?
C1 C2 B6 62.6(4) . . ?
B11 C2 B6 63.2(5) . . ?
B7 C2 B6 115.3(6) . . ?
C1 C2 B3 61.9(4) . . ?
B11 C2 B3 114.9(5) . . ?
B7 C2 B3 62.2(5) . . ?
B6 C2 B3 115.8(5) . . ?
C1 C2 H2A 112(4) . . ?
B11 C2 H2A 125(4) . . ?
B7 C2 H2A 124(4) . . ?
B6 C2 H2A 115(4) . . ?
B3 C2 H2A 114(4) . . ?
C2 B3 C1 56.8(4) . . ?
C2 B3 B8 103.8(6) . . ?
C1 B3 B8 104.5(6) . . ?
C2 B3 B7 57.9(4) . . ?
C1 B3 B7 104.3(6) . . ?
B8 B3 B7 60.2(5) . . ?
C2 B3 B4 103.5(5) . . ?
C1 B3 B4 58.3(4) . . ?
B8 B3 B4 59.9(4) . . ?
B7 B3 B4 107.7(6) . . ?
C2 B3 H3 125.5 . . ?
C1 B3 H3 124.7 . . ?
B8 B3 H3 123.1 . . ?
B7 B3 H3 122.3 . . ?
B4 B3 H3 122.6 . . ?
C1 B4 B9 104.9(5) . . ?
C1 B4 B8 105.4(5) . . ?
B9 B4 B8 60.0(5) . . ?
C1 B4 B3 59.7(4) . . ?
B9 B4 B3 107.9(5) . . ?
B8 B4 B3 59.7(5) . . ?
C1 B4 B5 58.7(4) . . ?
B9 B4 B5 60.0(4) . . ?
B8 B4 B5 108.3(5) . . ?
B3 B4 B5 108.7(5) . . ?
C1 B4 H4 124.2 . . ?
B9 B4 H4 122.5 . . ?
B8 B4 H4 122.3 . . ?
B3 B4 H4 121.1 . . ?
B5 B4 H4 121.2 . . ?
C1 B5 B9 104.4(5) . . ?
C1 B5 B10 104.9(5) . . ?
B9 B5 B10 60.3(4) . . ?
C1 B5 B4 58.6(4) . . ?
B9 B5 B4 59.5(4) . . ?
B10 B5 B4 107.9(5) . . ?
C1 B5 B6 59.4(4) . . ?
B9 B5 B6 107.2(5) . . ?
B10 B5 B6 59.1(4) . . ?
B4 B5 B6 107.9(5) . . ?
C1 B5 H5 124.4 . . ?
B9 B5 H5 122.8 . . ?
B10 B5 H5 122.4 . . ?
B4 B5 H5 121.7 . . ?
B6 B5 H5 121.8 . . ?
C2 B6 C1 57.3(4) . . ?
C2 B6 B10 104.5(5) . . ?
C1 B6 B10 104.5(5) . . ?
C2 B6 B11 57.5(5) . . ?
C1 B6 B11 104.2(5) . . ?
B10 B6 B11 61.0(5) . . ?
C2 B6 B5 103.9(5) . . ?
C1 B6 B5 58.0(4) . . ?
B10 B6 B5 60.0(4) . . ?
B11 B6 B5 108.1(5) . . ?
C2 B6 H6 125.2 . . ?
C1 B6 H6 124.8 . . ?
B10 B6 H6 122.6 . . ?
B11 B6 H6 122.2 . . ?
B5 B6 H6 122.4 . . ?
C2 B7 B11 57.9(5) . . ?
C2 B7 B12 104.7(6) . . ?
B11 B7 B12 60.7(5) . . ?
C2 B7 B3 59.9(4) . . ?
B11 B7 B3 108.9(6) . . ?
B12 B7 B3 108.7(6) . . ?
C2 B7 B8 105.0(5) . . ?
B11 B7 B8 108.6(6) . . ?
B12 B7 B8 60.2(5) . . ?
B3 B7 B8 59.9(5) . . ?
C2 B7 H7 124.8 . . ?
B11 B7 H7 121.1 . . ?
B12 B7 H7 122.0 . . ?
B3 B7 H7 120.7 . . ?
B8 B7 H7 122.3 . . ?
B3 B8 B9 108.4(5) . . ?
B3 B8 B4 60.3(4) . . ?
B9 B8 B4 59.9(4) . . ?
B3 B8 B7 59.9(5) . . ?
B9 B8 B7 107.7(6) . . ?
B4 B8 B7 107.8(5) . . ?
B3 B8 B12 108.4(5) . . ?
B9 B8 B12 60.4(5) . . ?
B4 B8 B12 108.4(6) . . ?
B7 B8 B12 59.7(5) . . ?
B3 B8 H8 121.4 . . ?
B9 B8 H8 121.7 . . ?
B4 B8 H8 121.6 . . ?
B7 B8 H8 122.2 . . ?
B12 B8 H8 121.4 . . ?
B4 B9 B8 60.1(4) . . ?
B4 B9 B5 60.5(4) . . ?
B8 B9 B5 108.7(6) . . ?
B4 B9 B12 108.2(6) . . ?
B8 B9 B12 59.9(5) . . ?
B5 B9 B12 108.6(5) . . ?
B4 B9 B10 108.3(5) . . ?
B8 B9 B10 108.6(6) . . ?
B5 B9 B10 59.9(4) . . ?
B12 B9 B10 60.6(4) . . ?
B4 B9 H9 121.6 . . ?
B8 B9 H9 121.4 . . ?
B5 B9 H9 121.3 . . ?
B12 B9 H9 121.4 . . ?
B10 B9 H9 121.4 . . ?
B6 B10 B5 60.9(4) . . ?
B6 B10 B9 108.3(6) . . ?
B5 B10 B9 59.8(4) . . ?
B6 B10 B11 59.6(5) . . ?
B5 B10 B11 107.8(6) . . ?
B9 B10 B11 106.8(6) . . ?
B6 B10 B12 107.8(6) . . ?
B5 B10 B12 107.8(6) . . ?
B9 B10 B12 59.6(4) . . ?
B11 B10 B12 59.4(5) . . ?
B6 B10 H10 121.3 . . ?
B5 B10 H10 121.4 . . ?
B9 B10 H10 122.1 . . ?
B11 B10 H10 122.5 . . ?
B12 B10 H10 122.1 . . ?
C2 B11 B7 59.2(5) . . ?
C2 B11 B6 59.3(4) . . ?
B7 B11 B6 109.1(6) . . ?
C2 B11 B12 105.1(6) . . ?
B7 B11 B12 59.9(5) . . ?
B6 B11 B12 108.5(5) . . ?
C2 B11 B10 104.5(5) . . ?
B7 B11 B10 108.3(5) . . ?
B6 B11 B10 59.3(4) . . ?
B12 B11 B10 60.6(5) . . ?
C2 B11 H11 124.5 . . ?
B7 B11 H11 120.9 . . ?
B6 B11 H11 121.0 . . ?
B12 B11 H11 122.0 . . ?
B10 B11 H11 122.6 . . ?
B7 B12 B8 60.2(5) . . ?
B7 B12 B11 59.4(5) . . ?
B8 B12 B11 107.6(6) . . ?
B7 B12 B9 107.5(6) . . ?
B8 B12 B9 59.7(5) . . ?
B11 B12 B9 107.4(5) . . ?
B7 B12 B10 107.5(6) . . ?
B8 B12 B10 107.7(5) . . ?
B11 B12 B10 60.1(5) . . ?
B9 B12 B10 59.7(4) . . ?
B7 B12 H12 122.1 . . ?
B8 B12 H12 121.8 . . ?
B11 B12 H12 122.1 . . ?
B9 B12 H12 122.1 . . ?
B10 B12 H12 121.9 . . ?
C12 B13 C11 58.8(4) . . ?
C12 B13 B18 107.3(6) . . ?
C11 B13 B18 106.7(6) . . ?
C12 B13 B14 107.4(6) . . ?
C11 B13 B14 59.1(4) . . ?
B18 B13 B14 61.1(5) . . ?
C12 B13 B17 59.7(4) . . ?
C11 B13 B17 107.2(6) . . ?
B18 B13 B17 61.1(5) . . ?
B14 B13 B17 110.6(6) . . ?
C12 B13 H13 122.8 . . ?
C11 B13 H13 123.4 . . ?
B18 B13 H13 121.6 . . ?
B14 B13 H13 120.7 . . ?
B17 B13 H13 120.6 . . ?
C11 B14 B13 58.7(4) . . ?
C11 B14 B19 104.0(5) . . ?
B13 B14 B19 106.0(6) . . ?
C11 B14 B15 58.4(4) . . ?
B13 B14 B15 106.5(5) . . ?
B19 B14 B15 59.3(4) . . ?
C11 B14 B18 104.7(5) . . ?
B13 B14 B18 58.9(4) . . ?
B19 B14 B18 59.9(5) . . ?
B15 B14 B18 107.3(6) . . ?
C11 B14 H14 124.6 . . ?
B13 B14 H14 122.8 . . ?
B19 B14 H14 123.2 . . ?
B15 B14 H14 122.2 . . ?
B18 B14 H14 122.6 . . ?
C11 B15 B19 105.1(6) . . ?
C11 B15 B20 105.5(5) . . ?
B19 B15 B20 60.7(5) . . ?
C11 B15 B16 59.0(4) . . ?
B19 B15 B16 108.5(5) . . ?
B20 B15 B16 60.1(4) . . ?
C11 B15 B14 58.8(4) . . ?
B19 B15 B14 60.3(5) . . ?
B20 B15 B14 109.2(6) . . ?
B16 B15 B14 108.6(5) . . ?
C11 B15 H15 124.6 . . ?
B19 B15 H15 122.0 . . ?
B20 B15 H15 121.6 . . ?
B16 B15 H15 121.3 . . ?
B14 B15 H15 121.0 . . ?
C11 B16 C12 57.9(4) . . ?
C11 B16 B20 104.9(5) . . ?
C12 B16 B20 104.8(5) . . ?
C11 B16 B15 58.5(4) . . ?
C12 B16 B15 104.8(5) . . ?
B20 B16 B15 59.8(4) . . ?
C11 B16 B21 104.7(5) . . ?
C12 B16 B21 58.3(4) . . ?
B20 B16 B21 59.9(4) . . ?
B15 B16 B21 107.3(6) . . ?
C11 B16 H16 124.2 . . ?
C12 B16 H16 124.3 . . ?
B20 B16 H16 122.9 . . ?
B15 B16 H16 122.4 . . ?
B21 B16 H16 122.5 . . ?
C12 B17 B22 104.9(6) . . ?
C12 B17 B13 58.0(4) . . ?
B22 B17 B13 106.4(6) . . ?
C12 B17 B21 58.6(4) . . ?
B22 B17 B21 60.2(5) . . ?
B13 B17 B21 106.3(5) . . ?
C12 B17 B18 104.3(5) . . ?
B22 B17 B18 60.1(5) . . ?
B13 B17 B18 58.8(4) . . ?
B21 B17 B18 107.8(6) . . ?
C12 B17 H17 124.7 . . ?
B22 B17 H17 122.4 . . ?
B13 B17 H17 123.1 . . ?
B21 B17 H17 121.8 . . ?
B18 B17 H17 122.6 . . ?
B13 B18 B22 106.8(6) . . ?
B13 B18 B19 106.8(6) . . ?
B22 B18 B19 60.0(5) . . ?
B13 B18 B14 60.0(4) . . ?
B22 B18 B14 108.2(6) . . ?
B19 B18 B14 59.9(5) . . ?
B13 B18 B17 60.1(5) . . ?
B22 B18 B17 59.4(5) . . ?
B19 B18 B17 107.6(6) . . ?
B14 B18 B17 108.8(6) . . ?
B13 B18 H18 122.5 . . ?
B22 B18 H18 122.2 . . ?
B19 B18 H18 122.2 . . ?
B14 B18 H18 121.1 . . ?
B17 B18 H18 121.5 . . ?
B15 B19 B14 60.4(4) . . ?
B15 B19 B22 108.4(6) . . ?
B14 B19 B22 108.5(6) . . ?
B15 B19 B18 108.4(5) . . ?
B14 B19 B18 60.2(5) . . ?
B22 B19 B18 59.9(5) . . ?
B15 B19 B20 60.0(4) . . ?
B14 B19 B20 108.7(5) . . ?
B22 B19 B20 60.5(5) . . ?
B18 B19 B20 108.6(6) . . ?
B15 B19 H19 121.5 . . ?
B14 B19 H19 121.3 . . ?
B22 B19 H19 121.5 . . ?
B18 B19 H19 121.5 . . ?
B20 B19 H19 121.3 . . ?
B15 B20 B16 60.1(4) . . ?
B15 B20 B21 107.9(5) . . ?
B16 B20 B21 60.3(4) . . ?
B15 B20 B19 59.3(5) . . ?
B16 B20 B19 107.4(5) . . ?
B21 B20 B19 107.2(6) . . ?
B15 B20 B22 107.1(6) . . ?
B16 B20 B22 107.7(6) . . ?
B21 B20 B22 59.6(5) . . ?
B19 B20 B22 59.6(5) . . ?
B15 B20 H20 122.1 . . ?
B16 B20 H20 121.6 . . ?
B21 B20 H20 121.8 . . ?
B19 B20 H20 122.4 . . ?
B22 B20 H20 122.2 . . ?
C12 B21 B17 59.2(4) . . ?
C12 B21 B22 104.9(6) . . ?
B17 B21 B22 59.6(5) . . ?
C12 B21 B20 105.5(5) . . ?
B17 B21 B20 108.8(6) . . ?
B22 B21 B20 60.7(5) . . ?
C12 B21 B16 59.2(4) . . ?
B17 B21 B16 108.8(6) . . ?
B22 B21 B16 108.2(6) . . ?
B20 B21 B16 59.8(4) . . ?
C12 B21 H21 124.3 . . ?
B17 B21 H21 121.1 . . ?
B22 B21 H21 122.4 . . ?
B20 B21 H21 121.9 . . ?
B16 B21 H21 121.2 . . ?
B17 B22 B21 60.2(5) . . ?
B17 B22 B18 60.6(5) . . ?
B21 B22 B18 108.2(6) . . ?
B17 B22 B19 108.6(6) . . ?
B21 B22 B19 107.6(6) . . ?
B18 B22 B19 60.1(5) . . ?
B17 B22 B20 108.5(6) . . ?
B21 B22 B20 59.7(4) . . ?
B18 B22 B20 108.2(6) . . ?
B19 B22 B20 59.9(5) . . ?
B17 B22 H22 121.1 . . ?
B21 B22 H22 122.0 . . ?
B18 B22 H22 121.4 . . ?
B19 B22 H22 121.8 . . ?
B20 B22 H22 121.7 . . ?
N1 C3 C1 119.0(5) . . ?
N1 C3 S1 125.1(4) . . ?
C1 C3 S1 115.9(4) . . ?
C5 C4 C9 123.9(6) . . ?
C5 C4 N1 123.1(5) . . ?
C9 C4 N1 112.9(5) . . ?
C4 C5 C6 114.2(5) . . ?
C4 C5 Ir1 122.5(4) . . ?
C6 C5 Ir1 123.1(4) . . ?
C7 C6 C5 123.1(6) . . ?
C7 C6 N2 113.5(5) . . ?
C5 C6 N2 123.2(5) . . ?
C8 C7 C6 119.3(6) . . ?
C8 C7 H7A 120.4 . . ?
C6 C7 H7A 120.4 . . ?
C7 C8 C9 120.7(6) . . ?
C7 C8 H8A 119.7 . . ?
C9 C8 H8A 119.7 . . ?
C8 C9 C4 118.6(6) . . ?
C8 C9 H9A 120.7 . . ?
C4 C9 H9A 120.7 . . ?
N2 C10 C11 115.9(5) . . ?
N2 C10 S2 125.7(5) . . ?
C11 C10 S2 118.4(4) . . ?
C10 C11 C12 118.3(5) . . ?
C10 C11 B13 118.3(5) . . ?
C12 C11 B13 60.3(4) . . ?
C10 C11 B15 121.2(5) . . ?
C12 C11 B15 111.0(5) . . ?
B13 C11 B15 112.8(5) . . ?
C10 C11 B14 120.4(5) . . ?
C12 C11 B14 111.1(5) . . ?
B13 C11 B14 62.2(4) . . ?
B15 C11 B14 62.8(4) . . ?
C10 C11 B16 116.8(5) . . ?
C12 C11 B16 61.5(4) . . ?
B13 C11 B16 112.8(5) . . ?
B15 C11 B16 62.6(4) . . ?
B14 C11 B16 114.8(5) . . ?
C11 C12 B13 61.0(4) . . ?
C11 C12 B21 110.2(5) . . ?
B13 C12 B21 112.7(5) . . ?
C11 C12 B17 111.1(5) . . ?
B13 C12 B17 62.3(5) . . ?
B21 C12 B17 62.2(5) . . ?
C11 C12 B16 60.6(4) . . ?
B13 C12 B16 112.6(5) . . ?
B21 C12 B16 62.5(4) . . ?
B17 C12 B16 114.0(5) . . ?
C11 C12 H12A 117(4) . . ?
B13 C12 H12A 118(4) . . ?
B21 C12 H12A 123(4) . . ?
B17 C12 H12A 123(4) . . ?
B16 C12 H12A 116(4) . . ?
C14 C13 C17 108.0(5) . . ?
C14 C13 C18 127.0(6) . . ?
C17 C13 C18 124.5(6) . . ?
C14 C13 Ir1 71.4(3) . . ?
C17 C13 Ir1 72.3(4) . . ?
C18 C13 Ir1 128.2(4) . . ?
C13 C14 C15 107.6(5) . . ?
C13 C14 C19 126.2(6) . . ?
C15 C14 C19 126.2(6) . . ?
C13 C14 Ir1 70.9(3) . . ?
C15 C14 Ir1 70.3(3) . . ?
C19 C14 Ir1 125.8(5) . . ?
C14 C15 C16 109.2(5) . . ?
C14 C15 C20 125.3(6) . . ?
C16 C15 C20 125.0(6) . . ?
C14 C15 Ir1 71.8(4) . . ?
C16 C15 Ir1 73.5(3) . . ?
C20 C15 Ir1 127.2(5) . . ?
C17 C16 C15 106.4(5) . . ?
C17 C16 C21 126.6(6) . . ?
C15 C16 C21 126.9(6) . . ?
C17 C16 Ir1 70.8(3) . . ?
C15 C16 Ir1 68.5(3) . . ?
C21 C16 Ir1 126.6(5) . . ?
C16 C17 C13 108.6(5) . . ?
C16 C17 C22 126.3(6) . . ?
C13 C17 C22 125.0(7) . . ?
C16 C17 Ir1 72.1(4) . . ?
C13 C17 Ir1 69.7(3) . . ?
C22 C17 Ir1 126.7(5) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O3 S3 O2 113.2(6) . . ?
O3 S3 O1 115.9(6) . . ?
O2 S3 O1 112.6(8) . . ?
O3 S3 C23 105.4(7) . . ?
O2 S3 C23 102.7(6) . . ?
O1 S3 C23 105.4(8) . . ?
F2 C23 F1 105.8(15) . . ?
F2 C23 F3 107.7(13) . . ?
F1 C23 F3 105.0(18) . . ?
F2 C23 S3 112.3(13) . . ?
F1 C23 S3 114.8(10) . . ?
F3 C23 S3 110.7(12) . . ?
O1' S3' O3' 116.5(13) . . ?
O1' S3' O2' 115.9(13) . . ?
O3' S3' O2' 114.9(11) . . ?
O1' S3' C23' 100.1(18) . . ?
O3' S3' C23' 105.4(11) . . ?
O2' S3' C23' 100.6(13) . . ?
F2' C23' F3' 112(3) . . ?
F2' C23' F1' 106(3) . . ?
F3' C23' F1' 116(4) . . ?
F2' C23' S3' 107(3) . . ?
F3' C23' S3' 110(3) . . ?
F1' C23' S3' 105(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C1 C2 B11 -144.7(6) . . . . ?
B4 C1 C2 B11 67.2(7) . . . . ?
B5 C1 C2 B11 0.0(7) . . . . ?
B3 C1 C2 B11 107.0(6) . . . . ?
B6 C1 C2 B11 -39.5(5) . . . . ?
C3 C1 C2 B7 146.6(6) . . . . ?
B4 C1 C2 B7 -1.5(8) . . . . ?
B5 C1 C2 B7 -68.7(7) . . . . ?
B3 C1 C2 B7 38.4(6) . . . . ?
B6 C1 C2 B7 -108.2(7) . . . . ?
C3 C1 C2 B6 -105.2(6) . . . . ?
B4 C1 C2 B6 106.7(5) . . . . ?
B5 C1 C2 B6 39.5(5) . . . . ?
B3 C1 C2 B6 146.6(6) . . . . ?
C3 C1 C2 B3 108.2(6) . . . . ?
B4 C1 C2 B3 -39.9(5) . . . . ?
B5 C1 C2 B3 -107.1(6) . . . . ?
B6 C1 C2 B3 -146.6(6) . . . . ?
B11 C2 B3 C1 -103.8(6) . . . . ?
B7 C2 B3 C1 -139.3(6) . . . . ?
B6 C2 B3 C1 -32.9(5) . . . . ?
C1 C2 B3 B8 98.5(5) . . . . ?
B11 C2 B3 B8 -5.3(7) . . . . ?
B7 C2 B3 B8 -40.8(5) . . . . ?
B6 C2 B3 B8 65.6(6) . . . . ?
C1 C2 B3 B7 139.3(6) . . . . ?
B11 C2 B3 B7 35.5(6) . . . . ?
B6 C2 B3 B7 106.4(6) . . . . ?
C1 C2 B3 B4 36.7(5) . . . . ?
B11 C2 B3 B4 -67.1(7) . . . . ?
B7 C2 B3 B4 -102.6(6) . . . . ?
B6 C2 B3 B4 3.8(7) . . . . ?
C3 C1 B3 C2 -110.3(6) . . . . ?
B4 C1 B3 C2 136.9(6) . . . . ?
B5 C1 B3 C2 100.4(6) . . . . ?
B6 C1 B3 C2 31.4(5) . . . . ?
C3 C1 B3 B8 152.6(5) . . . . ?
C2 C1 B3 B8 -97.1(6) . . . . ?
B4 C1 B3 B8 39.8(5) . . . . ?
B5 C1 B3 B8 3.2(7) . . . . ?
B6 C1 B3 B8 -65.8(6) . . . . ?
C3 C1 B3 B7 -145.1(5) . . . . ?
C2 C1 B3 B7 -34.8(5) . . . . ?
B4 C1 B3 B7 102.2(6) . . . . ?
B5 C1 B3 B7 65.6(6) . . . . ?
B6 C1 B3 B7 -3.4(7) . . . . ?
C3 C1 B3 B4 112.8(6) . . . . ?
C2 C1 B3 B4 -136.9(6) . . . . ?
B5 C1 B3 B4 -36.6(5) . . . . ?
B6 C1 B3 B4 -105.6(6) . . . . ?
C3 C1 B4 B9 149.8(5) . . . . ?
C2 C1 B4 B9 -62.7(6) . . . . ?
B5 C1 B4 B9 39.9(5) . . . . ?
B3 C1 B4 B9 -102.3(6) . . . . ?
B6 C1 B4 B9 2.5(7) . . . . ?
C3 C1 B4 B8 -147.8(6) . . . . ?
C2 C1 B4 B8 -0.3(7) . . . . ?
B5 C1 B4 B8 102.3(6) . . . . ?
B3 C1 B4 B8 -39.9(5) . . . . ?
B6 C1 B4 B8 64.9(7) . . . . ?
C3 C1 B4 B3 -107.9(6) . . . . ?
C2 C1 B4 B3 39.6(5) . . . . ?
B5 C1 B4 B3 142.2(5) . . . . ?
B6 C1 B4 B3 104.8(6) . . . . ?
C3 C1 B4 B5 110.0(6) . . . . ?
C2 C1 B4 B5 -102.6(6) . . . . ?
B3 C1 B4 B5 -142.2(5) . . . . ?
B6 C1 B4 B5 -37.4(5) . . . . ?
C2 B3 B4 C1 -36.0(4) . . . . ?
B8 B3 B4 C1 -134.3(6) . . . . ?
B7 B3 B4 C1 -96.2(6) . . . . ?
C2 B3 B4 B9 61.2(6) . . . . ?
C1 B3 B4 B9 97.2(5) . . . . ?
B8 B3 B4 B9 -37.1(5) . . . . ?
B7 B3 B4 B9 1.0(7) . . . . ?
C2 B3 B4 B8 98.3(6) . . . . ?
C1 B3 B4 B8 134.3(6) . . . . ?
B7 B3 B4 B8 38.1(5) . . . . ?
C2 B3 B4 B5 -2.4(7) . . . . ?
C1 B3 B4 B5 33.6(5) . . . . ?
B8 B3 B4 B5 -100.7(6) . . . . ?
B7 B3 B4 B5 -62.6(7) . . . . ?
C3 C1 B5 B9 -152.1(5) . . . . ?
C2 C1 B5 B9 63.3(6) . . . . ?
B4 C1 B5 B9 -39.5(5) . . . . ?
B3 C1 B5 B9 -3.2(7) . . . . ?
B6 C1 B5 B9 101.7(5) . . . . ?
C3 C1 B5 B10 145.4(5) . . . . ?
C2 C1 B5 B10 0.7(6) . . . . ?
B4 C1 B5 B10 -102.1(5) . . . . ?
B3 C1 B5 B10 -65.8(6) . . . . ?
B6 C1 B5 B10 39.2(5) . . . . ?
C3 C1 B5 B4 -112.6(6) . . . . ?
C2 C1 B5 B4 102.8(5) . . . . ?
B3 C1 B5 B4 36.3(5) . . . . ?
B6 C1 B5 B4 141.3(5) . . . . ?
C3 C1 B5 B6 106.2(6) . . . . ?
C2 C1 B5 B6 -38.5(5) . . . . ?
B4 C1 B5 B6 -141.3(5) . . . . ?
B3 C1 B5 B6 -105.0(5) . . . . ?
B9 B4 B5 C1 -134.3(5) . . . . ?
B8 B4 B5 C1 -97.3(5) . . . . ?
B3 B4 B5 C1 -34.0(5) . . . . ?
C1 B4 B5 B9 134.3(5) . . . . ?
B8 B4 B5 B9 37.0(5) . . . . ?
B3 B4 B5 B9 100.3(6) . . . . ?
C1 B4 B5 B10 96.9(6) . . . . ?
B9 B4 B5 B10 -37.4(5) . . . . ?
B8 B4 B5 B10 -0.4(7) . . . . ?
B3 B4 B5 B10 62.9(7) . . . . ?
C1 B4 B5 B6 34.5(4) . . . . ?
B9 B4 B5 B6 -99.9(5) . . . . ?
B8 B4 B5 B6 -62.8(6) . . . . ?
B3 B4 B5 B6 0.5(7) . . . . ?
B11 C2 B6 C1 139.0(5) . . . . ?
B7 C2 B6 C1 102.5(6) . . . . ?
B3 C2 B6 C1 32.7(5) . . . . ?
C1 C2 B6 B10 -98.2(5) . . . . ?
B11 C2 B6 B10 40.8(5) . . . . ?
B7 C2 B6 B10 4.3(7) . . . . ?
B3 C2 B6 B10 -65.5(7) . . . . ?
C1 C2 B6 B11 -139.0(5) . . . . ?
B7 C2 B6 B11 -36.4(5) . . . . ?
B3 C2 B6 B11 -106.3(6) . . . . ?
C1 C2 B6 B5 -36.1(4) . . . . ?
B11 C2 B6 B5 102.8(5) . . . . ?
B7 C2 B6 B5 66.4(6) . . . . ?
B3 C2 B6 B5 -3.5(7) . . . . ?
C3 C1 B6 C2 110.7(5) . . . . ?
B4 C1 B6 C2 -100.1(5) . . . . ?
B5 C1 B6 C2 -137.6(5) . . . . ?
B3 C1 B6 C2 -31.8(5) . . . . ?
C3 C1 B6 B10 -151.2(5) . . . . ?
C2 C1 B6 B10 98.0(6) . . . . ?
B4 C1 B6 B10 -2.1(7) . . . . ?
B5 C1 B6 B10 -39.5(5) . . . . ?
B3 C1 B6 B10 66.3(7) . . . . ?
C3 C1 B6 B11 145.6(5) . . . . ?
C2 C1 B6 B11 34.8(5) . . . . ?
B4 C1 B6 B11 -65.3(6) . . . . ?
B5 C1 B6 B11 -102.7(5) . . . . ?
B3 C1 B6 B11 3.1(7) . . . . ?
C3 C1 B6 B5 -111.7(5) . . . . ?
C2 C1 B6 B5 137.6(5) . . . . ?
B4 C1 B6 B5 37.4(5) . . . . ?
B3 C1 B6 B5 105.8(6) . . . . ?
C1 B5 B6 C2 35.8(4) . . . . ?
B9 B5 B6 C2 -61.1(6) . . . . ?
B10 B5 B6 C2 -98.8(5) . . . . ?
B4 B5 B6 C2 1.7(6) . . . . ?
B9 B5 B6 C1 -96.9(5) . . . . ?
B10 B5 B6 C1 -134.6(5) . . . . ?
B4 B5 B6 C1 -34.1(4) . . . . ?
C1 B5 B6 B10 134.6(5) . . . . ?
B9 B5 B6 B10 37.8(5) . . . . ?
B4 B5 B6 B10 100.5(6) . . . . ?
C1 B5 B6 B11 95.7(6) . . . . ?
B9 B5 B6 B11 -1.2(7) . . . . ?
B10 B5 B6 B11 -38.9(6) . . . . ?
B4 B5 B6 B11 61.6(7) . . . . ?
C1 C2 B7 B11 105.5(6) . . . . ?
B6 C2 B7 B11 36.6(5) . . . . ?
B3 C2 B7 B11 143.7(6) . . . . ?
C1 C2 B7 B12 65.1(7) . . . . ?
B11 C2 B7 B12 -40.3(5) . . . . ?
B6 C2 B7 B12 -3.8(7) . . . . ?
B3 C2 B7 B12 103.4(6) . . . . ?
C1 C2 B7 B3 -38.3(6) . . . . ?
B11 C2 B7 B3 -143.7(6) . . . . ?
B6 C2 B7 B3 -107.2(6) . . . . ?
C1 C2 B7 B8 2.6(8) . . . . ?
B11 C2 B7 B8 -102.8(7) . . . . ?
B6 C2 B7 B8 -66.3(7) . . . . ?
B3 C2 B7 B8 40.9(6) . . . . ?
C1 B3 B7 C2 34.3(5) . . . . ?
B8 B3 B7 C2 133.0(6) . . . . ?
B4 B3 B7 C2 95.1(6) . . . . ?
C2 B3 B7 B11 -32.0(5) . . . . ?
C1 B3 B7 B11 2.3(7) . . . . ?
B8 B3 B7 B11 101.0(6) . . . . ?
B4 B3 B7 B11 63.1(7) . . . . ?
C2 B3 B7 B12 -96.5(6) . . . . ?
C1 B3 B7 B12 -62.2(7) . . . . ?
B8 B3 B7 B12 36.5(5) . . . . ?
B4 B3 B7 B12 -1.5(7) . . . . ?
C2 B3 B7 B8 -133.0(6) . . . . ?
C1 B3 B7 B8 -98.7(6) . . . . ?
B4 B3 B7 B8 -38.0(5) . . . . ?
C2 B3 B8 B9 -60.6(6) . . . . ?
C1 B3 B8 B9 -1.8(7) . . . . ?
B7 B3 B8 B9 -100.2(6) . . . . ?
B4 B3 B8 B9 37.2(5) . . . . ?
C2 B3 B8 B4 -97.8(5) . . . . ?
C1 B3 B8 B4 -39.0(5) . . . . ?
B7 B3 B8 B4 -137.4(6) . . . . ?
C2 B3 B8 B7 39.6(5) . . . . ?
C1 B3 B8 B7 98.4(6) . . . . ?
B4 B3 B8 B7 137.4(6) . . . . ?
C2 B3 B8 B12 3.4(7) . . . . ?
C1 B3 B8 B12 62.2(6) . . . . ?
B7 B3 B8 B12 -36.2(5) . . . . ?
B4 B3 B8 B12 101.2(6) . . . . ?
C1 B4 B8 B3 39.9(5) . . . . ?
B9 B4 B8 B3 138.5(6) . . . . ?
B5 B4 B8 B3 101.5(6) . . . . ?
C1 B4 B8 B9 -98.6(6) . . . . ?
B3 B4 B8 B9 -138.5(6) . . . . ?
B5 B4 B8 B9 -37.0(5) . . . . ?
C1 B4 B8 B7 1.9(8) . . . . ?
B9 B4 B8 B7 100.5(6) . . . . ?
B3 B4 B8 B7 -38.0(6) . . . . ?
B5 B4 B8 B7 63.5(7) . . . . ?
C1 B4 B8 B12 -61.2(7) . . . . ?
B9 B4 B8 B12 37.4(5) . . . . ?
B3 B4 B8 B12 -101.1(6) . . . . ?
B5 B4 B8 B12 0.4(7) . . . . ?
C2 B7 B8 B3 -40.9(6) . . . . ?
B11 B7 B8 B3 -101.5(6) . . . . ?
B12 B7 B8 B3 -139.5(6) . . . . ?
C2 B7 B8 B9 60.5(7) . . . . ?
B11 B7 B8 B9 -0.2(8) . . . . ?
B12 B7 B8 B9 -38.1(5) . . . . ?
B3 B7 B8 B9 101.4(6) . . . . ?
C2 B7 B8 B4 -2.7(8) . . . . ?
B11 B7 B8 B4 -63.4(8) . . . . ?
B12 B7 B8 B4 -101.3(6) . . . . ?
B3 B7 B8 B4 38.2(6) . . . . ?
C2 B7 B8 B12 98.6(6) . . . . ?
B11 B7 B8 B12 38.0(5) . . . . ?
B3 B7 B8 B12 139.5(6) . . . . ?
C1 B4 B9 B8 99.4(5) . . . . ?
B3 B4 B9 B8 37.0(5) . . . . ?
B5 B4 B9 B8 138.7(5) . . . . ?
C1 B4 B9 B5 -39.3(5) . . . . ?
B8 B4 B9 B5 -138.7(5) . . . . ?
B3 B4 B9 B5 -101.7(5) . . . . ?
C1 B4 B9 B12 62.3(6) . . . . ?
B8 B4 B9 B12 -37.1(5) . . . . ?
B3 B4 B9 B12 -0.1(7) . . . . ?
B5 B4 B9 B12 101.6(6) . . . . ?
C1 B4 B9 B10 -1.9(7) . . . . ?
B8 B4 B9 B10 -101.3(6) . . . . ?
B3 B4 B9 B10 -64.3(7) . . . . ?
B5 B4 B9 B10 37.4(5) . . . . ?
B3 B8 B9 B4 -37.4(5) . . . . ?
B7 B8 B9 B4 -100.7(6) . . . . ?
B12 B8 B9 B4 -138.5(5) . . . . ?
B3 B8 B9 B5 0.0(7) . . . . ?
B4 B8 B9 B5 37.3(5) . . . . ?
B7 B8 B9 B5 -63.4(7) . . . . ?
B12 B8 B9 B5 -101.2(6) . . . . ?
B3 B8 B9 B12 101.1(6) . . . . ?
B4 B8 B9 B12 138.5(5) . . . . ?
B7 B8 B9 B12 37.8(5) . . . . ?
B3 B8 B9 B10 63.6(7) . . . . ?
B4 B8 B9 B10 100.9(5) . . . . ?
B7 B8 B9 B10 0.2(7) . . . . ?
B12 B8 B9 B10 -37.6(5) . . . . ?
C1 B5 B9 B4 39.1(4) . . . . ?
B10 B5 B9 B4 138.2(6) . . . . ?
B6 B5 B9 B4 101.0(5) . . . . ?
C1 B5 B9 B8 1.9(7) . . . . ?
B10 B5 B9 B8 101.1(6) . . . . ?
B4 B5 B9 B8 -37.2(5) . . . . ?
B6 B5 B9 B8 63.8(7) . . . . ?
C1 B5 B9 B12 -61.7(7) . . . . ?
B10 B5 B9 B12 37.4(6) . . . . ?
B4 B5 B9 B12 -100.8(6) . . . . ?
B6 B5 B9 B12 0.2(8) . . . . ?
C1 B5 B9 B10 -99.2(6) . . . . ?
B4 B5 B9 B10 -138.2(6) . . . . ?
B6 B5 B9 B10 -37.2(5) . . . . ?
C2 B6 B10 B5 97.9(5) . . . . ?
C1 B6 B10 B5 38.6(5) . . . . ?
B11 B6 B10 B5 137.0(6) . . . . ?
C2 B6 B10 B9 60.1(7) . . . . ?
C1 B6 B10 B9 0.8(7) . . . . ?
B11 B6 B10 B9 99.1(6) . . . . ?
B5 B6 B10 B9 -37.8(5) . . . . ?
C2 B6 B10 B11 -39.0(5) . . . . ?
C1 B6 B10 B11 -98.4(6) . . . . ?
B5 B6 B10 B11 -137.0(6) . . . . ?
C2 B6 B10 B12 -2.9(7) . . . . ?
C1 B6 B10 B12 -62.3(6) . . . . ?
B11 B6 B10 B12 36.1(5) . . . . ?
B5 B6 B10 B12 -100.9(6) . . . . ?
C1 B5 B10 B6 -39.4(5) . . . . ?
B9 B5 B10 B6 -137.7(6) . . . . ?
B4 B5 B10 B6 -100.6(6) . . . . ?
C1 B5 B10 B9 98.3(5) . . . . ?
B4 B5 B10 B9 37.1(5) . . . . ?
B6 B5 B10 B9 137.7(6) . . . . ?
C1 B5 B10 B11 -1.1(7) . . . . ?
B9 B5 B10 B11 -99.5(6) . . . . ?
B4 B5 B10 B11 -62.4(6) . . . . ?
B6 B5 B10 B11 38.2(5) . . . . ?
C1 B5 B10 B12 61.5(6) . . . . ?
B9 B5 B10 B12 -36.8(5) . . . . ?
B4 B5 B10 B12 0.3(7) . . . . ?
B6 B5 B10 B12 100.9(6) . . . . ?
B4 B9 B10 B6 0.7(7) . . . . ?
B8 B9 B10 B6 -63.0(7) . . . . ?
B5 B9 B10 B6 38.3(5) . . . . ?
B12 B9 B10 B6 -100.3(7) . . . . ?
B4 B9 B10 B5 -37.6(5) . . . . ?
B8 B9 B10 B5 -101.4(6) . . . . ?
B12 B9 B10 B5 -138.6(6) . . . . ?
B4 B9 B10 B11 63.6(6) . . . . ?
B8 B9 B10 B11 -0.2(7) . . . . ?
B5 B9 B10 B11 101.2(6) . . . . ?
B12 B9 B10 B11 -37.4(5) . . . . ?
B4 B9 B10 B12 101.0(6) . . . . ?
B8 B9 B10 B12 37.3(6) . . . . ?
B5 B9 B10 B12 138.6(6) . . . . ?
C1 C2 B11 B7 -103.6(6) . . . . ?
B6 C2 B11 B7 -142.9(5) . . . . ?
B3 C2 B11 B7 -35.2(5) . . . . ?
C1 C2 B11 B6 39.3(5) . . . . ?
B7 C2 B11 B6 142.9(5) . . . . ?
B3 C2 B11 B6 107.7(6) . . . . ?
C1 C2 B11 B12 -63.6(7) . . . . ?
B7 C2 B11 B12 40.1(5) . . . . ?
B6 C2 B11 B12 -102.8(6) . . . . ?
B3 C2 B11 B12 4.8(8) . . . . ?
C1 C2 B11 B10 -0.7(7) . . . . ?
B7 C2 B11 B10 102.9(6) . . . . ?
B6 C2 B11 B10 -40.0(5) . . . . ?
B3 C2 B11 B10 67.7(7) . . . . ?
B12 B7 B11 C2 134.1(5) . . . . ?
B3 B7 B11 C2 32.8(5) . . . . ?
B8 B7 B11 C2 96.4(6) . . . . ?
C2 B7 B11 B6 -33.3(5) . . . . ?
B12 B7 B11 B6 100.8(6) . . . . ?
B3 B7 B11 B6 -0.5(8) . . . . ?
B8 B7 B11 B6 63.1(7) . . . . ?
C2 B7 B11 B12 -134.1(5) . . . . ?
B3 B7 B11 B12 -101.3(6) . . . . ?
B8 B7 B11 B12 -37.7(5) . . . . ?
C2 B7 B11 B10 -96.3(6) . . . . ?
B12 B7 B11 B10 37.8(5) . . . . ?
B3 B7 B11 B10 -63.6(7) . . . . ?
B8 B7 B11 B10 0.1(8) . . . . ?
C1 B6 B11 C2 -34.7(4) . . . . ?
B10 B6 B11 C2 -133.7(5) . . . . ?
B5 B6 B11 C2 -95.3(6) . . . . ?
C2 B6 B11 B7 33.3(5) . . . . ?
C1 B6 B11 B7 -1.5(7) . . . . ?
B10 B6 B11 B7 -100.5(6) . . . . ?
B5 B6 B11 B7 -62.0(7) . . . . ?
C2 B6 B11 B12 96.9(7) . . . . ?
C1 B6 B11 B12 62.2(7) . . . . ?
B10 B6 B11 B12 -36.8(6) . . . . ?
B5 B6 B11 B12 1.7(8) . . . . ?
C2 B6 B11 B10 133.7(5) . . . . ?
C1 B6 B11 B10 99.0(5) . . . . ?
B5 B6 B11 B10 38.4(5) . . . . ?
B6 B10 B11 C2 39.9(5) . . . . ?
B5 B10 B11 C2 1.1(7) . . . . ?
B9 B10 B11 C2 -61.8(6) . . . . ?
B12 B10 B11 C2 -99.4(6) . . . . ?
B6 B10 B11 B7 101.8(6) . . . . ?
B5 B10 B11 B7 63.0(7) . . . . ?
B9 B10 B11 B7 0.1(7) . . . . ?
B12 B10 B11 B7 -37.5(5) . . . . ?
B5 B10 B11 B6 -38.8(5) . . . . ?
B9 B10 B11 B6 -101.8(6) . . . . ?
B12 B10 B11 B6 -139.3(6) . . . . ?
B6 B10 B11 B12 139.3(6) . . . . ?
B5 B10 B11 B12 100.5(6) . . . . ?
B9 B10 B11 B12 37.6(5) . . . . ?
C2 B7 B12 B8 -99.1(6) . . . . ?
B11 B7 B12 B8 -138.1(6) . . . . ?
B3 B7 B12 B8 -36.4(5) . . . . ?
C2 B7 B12 B11 39.0(5) . . . . ?
B3 B7 B12 B11 101.7(6) . . . . ?
B8 B7 B12 B11 138.1(6) . . . . ?
C2 B7 B12 B9 -61.4(7) . . . . ?
B11 B7 B12 B9 -100.3(6) . . . . ?
B3 B7 B12 B9 1.4(7) . . . . ?
B8 B7 B12 B9 37.7(5) . . . . ?
C2 B7 B12 B10 1.6(7) . . . . ?
B11 B7 B12 B10 -37.4(5) . . . . ?
B3 B7 B12 B10 64.3(7) . . . . ?
B8 B7 B12 B10 100.7(6) . . . . ?
B3 B8 B12 B7 36.3(5) . . . . ?
B9 B8 B12 B7 137.4(6) . . . . ?
B4 B8 B12 B7 100.3(6) . . . . ?
B3 B8 B12 B11 -0.8(7) . . . . ?
B9 B8 B12 B11 100.3(6) . . . . ?
B4 B8 B12 B11 63.1(7) . . . . ?
B7 B8 B12 B11 -37.1(5) . . . . ?
B3 B8 B12 B9 -101.1(6) . . . . ?
B4 B8 B12 B9 -37.2(5) . . . . ?
B7 B8 B12 B9 -137.4(6) . . . . ?
B3 B8 B12 B10 -64.2(7) . . . . ?
B9 B8 B12 B10 37.0(5) . . . . ?
B4 B8 B12 B10 -0.2(8) . . . . ?
B7 B8 B12 B10 -100.5(6) . . . . ?
C2 B11 B12 B7 -39.7(5) . . . . ?
B6 B11 B12 B7 -101.9(7) . . . . ?
B10 B11 B12 B7 -138.1(6) . . . . ?
C2 B11 B12 B8 -2.3(7) . . . . ?
B7 B11 B12 B8 37.5(5) . . . . ?
B6 B11 B12 B8 -64.4(8) . . . . ?
B10 B11 B12 B8 -100.7(6) . . . . ?
C2 B11 B12 B9 60.6(8) . . . . ?
B7 B11 B12 B9 100.3(7) . . . . ?
B6 B11 B12 B9 -1.5(9) . . . . ?
B10 B11 B12 B9 -37.8(6) . . . . ?
C2 B11 B12 B10 98.4(6) . . . . ?
B7 B11 B12 B10 138.1(6) . . . . ?
B6 B11 B12 B10 36.3(6) . . . . ?
B4 B9 B12 B7 -0.8(7) . . . . ?
B8 B9 B12 B7 -38.0(5) . . . . ?
B5 B9 B12 B7 63.4(7) . . . . ?
B10 B9 B12 B7 100.5(6) . . . . ?
B4 B9 B12 B8 37.2(5) . . . . ?
B5 B9 B12 B8 101.3(6) . . . . ?
B10 B9 B12 B8 138.4(6) . . . . ?
B4 B9 B12 B11 -63.3(7) . . . . ?
B8 B9 B12 B11 -100.5(7) . . . . ?
B5 B9 B12 B11 0.8(8) . . . . ?
B10 B9 B12 B11 37.9(6) . . . . ?
B4 B9 B12 B10 -101.2(6) . . . . ?
B8 B9 B12 B10 -138.4(6) . . . . ?
B5 B9 B12 B10 -37.1(6) . . . . ?
B6 B10 B12 B7 0.9(7) . . . . ?
B5 B10 B12 B7 -63.5(7) . . . . ?
B9 B10 B12 B7 -100.4(6) . . . . ?
B11 B10 B12 B7 37.1(5) . . . . ?
B6 B10 B12 B8 64.3(7) . . . . ?
B5 B10 B12 B8 -0.1(8) . . . . ?
B9 B10 B12 B8 -36.9(5) . . . . ?
B11 B10 B12 B8 100.5(7) . . . . ?
B6 B10 B12 B11 -36.2(5) . . . . ?
B5 B10 B12 B11 -100.6(6) . . . . ?
B9 B10 B12 B11 -137.4(6) . . . . ?
B6 B10 B12 B9 101.2(6) . . . . ?
B5 B10 B12 B9 36.9(5) . . . . ?
B11 B10 B12 B9 137.4(6) . . . . ?
C12 B13 B14 C11 -34.9(5) . . . . ?
B18 B13 B14 C11 -135.5(6) . . . . ?
B17 B13 B14 C11 -98.3(6) . . . . ?
C12 B13 B14 B19 62.1(6) . . . . ?
C11 B13 B14 B19 96.9(6) . . . . ?
B18 B13 B14 B19 -38.5(6) . . . . ?
B17 B13 B14 B19 -1.3(8) . . . . ?
C12 B13 B14 B15 0.1(7) . . . . ?
C11 B13 B14 B15 34.9(5) . . . . ?
B18 B13 B14 B15 -100.5(6) . . . . ?
B17 B13 B14 B15 -63.3(7) . . . . ?
C12 B13 B14 B18 100.6(6) . . . . ?
C11 B13 B14 B18 135.5(6) . . . . ?
B17 B13 B14 B18 37.2(6) . . . . ?
B13 B14 B15 C11 -35.1(5) . . . . ?
B19 B14 B15 C11 -134.2(5) . . . . ?
B18 B14 B15 C11 -96.9(6) . . . . ?
C11 B14 B15 B19 134.2(5) . . . . ?
B13 B14 B15 B19 99.1(6) . . . . ?
B18 B14 B15 B19 37.3(5) . . . . ?
C11 B14 B15 B20 96.8(5) . . . . ?
B13 B14 B15 B20 61.8(6) . . . . ?
B19 B14 B15 B20 -37.3(5) . . . . ?
B18 B14 B15 B20 0.0(7) . . . . ?
C11 B14 B15 B16 32.9(5) . . . . ?
B13 B14 B15 B16 -2.1(7) . . . . ?
B19 B14 B15 B16 -101.2(6) . . . . ?
B18 B14 B15 B16 -63.9(6) . . . . ?
B19 B15 B16 C11 -96.9(6) . . . . ?
B20 B15 B16 C11 -134.9(6) . . . . ?
B14 B15 B16 C11 -32.9(5) . . . . ?
C11 B15 B16 C12 36.1(4) . . . . ?
B19 B15 B16 C12 -60.8(6) . . . . ?
B20 B15 B16 C12 -98.7(6) . . . . ?
B14 B15 B16 C12 3.2(7) . . . . ?
C11 B15 B16 B20 134.9(6) . . . . ?
B19 B15 B16 B20 38.0(5) . . . . ?
B14 B15 B16 B20 102.0(6) . . . . ?
C11 B15 B16 B21 97.0(6) . . . . ?
B19 B15 B16 B21 0.1(7) . . . . ?
B20 B15 B16 B21 -37.9(5) . . . . ?
B14 B15 B16 B21 64.1(7) . . . . ?
C11 B13 B17 C12 35.9(5) . . . . ?
B18 B13 B17 C12 135.8(6) . . . . ?
B14 B13 B17 C12 98.6(6) . . . . ?
C12 B13 B17 B22 -97.6(6) . . . . ?
C11 B13 B17 B22 -61.7(7) . . . . ?
B18 B13 B17 B22 38.2(6) . . . . ?
B14 B13 B17 B22 1.0(8) . . . . ?
C12 B13 B17 B21 -34.6(5) . . . . ?
C11 B13 B17 B21 1.3(7) . . . . ?
B18 B13 B17 B21 101.2(6) . . . . ?
B14 B13 B17 B21 64.0(7) . . . . ?
C12 B13 B17 B18 -135.8(6) . . . . ?
C11 B13 B17 B18 -100.0(6) . . . . ?
B14 B13 B17 B18 -37.2(6) . . . . ?
C12 B13 B18 B22 1.0(8) . . . . ?
C11 B13 B18 B22 62.8(7) . . . . ?
B14 B13 B18 B22 101.7(7) . . . . ?
B17 B13 B18 B22 -38.0(6) . . . . ?
C12 B13 B18 B19 -62.0(7) . . . . ?
C11 B13 B18 B19 -0.2(8) . . . . ?
B14 B13 B18 B19 38.7(6) . . . . ?
B17 B13 B18 B19 -101.0(6) . . . . ?
C12 B13 B18 B14 -100.7(6) . . . . ?
C11 B13 B18 B14 -38.9(5) . . . . ?
B17 B13 B18 B14 -139.7(6) . . . . ?
C12 B13 B18 B17 39.1(5) . . . . ?
C11 B13 B18 B17 100.8(6) . . . . ?
B14 B13 B18 B17 139.7(6) . . . . ?
C11 B14 B18 B13 38.3(5) . . . . ?
B19 B14 B18 B13 136.2(6) . . . . ?
B15 B14 B18 B13 99.2(6) . . . . ?
C11 B14 B18 B22 -61.0(7) . . . . ?
B13 B14 B18 B22 -99.3(7) . . . . ?
B19 B14 B18 B22 36.9(5) . . . . ?
B15 B14 B18 B22 -0.1(7) . . . . ?
C11 B14 B18 B19 -98.0(6) . . . . ?
B13 B14 B18 B19 -136.2(6) . . . . ?
B15 B14 B18 B19 -37.0(5) . . . . ?
C11 B14 B18 B17 2.0(7) . . . . ?
B13 B14 B18 B17 -36.3(6) . . . . ?
B19 B14 B18 B17 99.9(6) . . . . ?
B15 B14 B18 B17 62.9(7) . . . . ?
C12 B17 B18 B13 -37.6(5) . . . . ?
B22 B17 B18 B13 -136.8(6) . . . . ?
B21 B17 B18 B13 -98.7(6) . . . . ?
C12 B17 B18 B22 99.2(6) . . . . ?
B13 B17 B18 B22 136.8(6) . . . . ?
B21 B17 B18 B22 38.1(5) . . . . ?
C12 B17 B18 B19 62.1(7) . . . . ?
B22 B17 B18 B19 -37.1(5) . . . . ?
B13 B17 B18 B19 99.6(6) . . . . ?
B21 B17 B18 B19 1.0(7) . . . . ?
C12 B17 B18 B14 -1.3(8) . . . . ?
B22 B17 B18 B14 -100.5(6) . . . . ?
B13 B17 B18 B14 36.3(5) . . . . ?
B21 B17 B18 B14 -62.4(7) . . . . ?
C11 B15 B19 B14 39.5(5) . . . . ?
B20 B15 B19 B14 139.0(6) . . . . ?
B16 B15 B19 B14 101.3(6) . . . . ?
C11 B15 B19 B22 -61.8(7) . . . . ?
B20 B15 B19 B22 37.7(5) . . . . ?
B16 B15 B19 B22 0.0(8) . . . . ?
B14 B15 B19 B22 -101.2(6) . . . . ?
C11 B15 B19 B18 1.8(7) . . . . ?
B20 B15 B19 B18 101.3(6) . . . . ?
B16 B15 B19 B18 63.6(7) . . . . ?
B14 B15 B19 B18 -37.7(5) . . . . ?
C11 B15 B19 B20 -99.5(5) . . . . ?
B16 B15 B19 B20 -37.7(5) . . . . ?
B14 B15 B19 B20 -139.0(6) . . . . ?
C11 B14 B19 B15 -39.1(5) . . . . ?
B13 B14 B19 B15 -100.0(6) . . . . ?
B18 B14 B19 B15 -138.1(6) . . . . ?
C11 B14 B19 B22 62.1(7) . . . . ?
B13 B14 B19 B22 1.1(8) . . . . ?
B15 B14 B19 B22 101.1(6) . . . . ?
B18 B14 B19 B22 -36.9(6) . . . . ?
C11 B14 B19 B18 99.0(6) . . . . ?
B13 B14 B19 B18 38.1(5) . . . . ?
B15 B14 B19 B18 138.1(6) . . . . ?
C11 B14 B19 B20 -2.2(7) . . . . ?
B13 B14 B19 B20 -63.1(7) . . . . ?
B15 B14 B19 B20 36.9(5) . . . . ?
B18 B14 B19 B20 -101.2(6) . . . . ?
B13 B18 B19 B15 -1.0(8) . . . . ?
B22 B18 B19 B15 -101.0(6) . . . . ?
B14 B18 B19 B15 37.8(5) . . . . ?
B17 B18 B19 B15 -64.2(7) . . . . ?
B13 B18 B19 B14 -38.8(5) . . . . ?
B22 B18 B19 B14 -138.8(6) . . . . ?
B17 B18 B19 B14 -101.9(6) . . . . ?
B13 B18 B19 B22 100.0(6) . . . . ?
B14 B18 B19 B22 138.8(6) . . . . ?
B17 B18 B19 B22 36.9(5) . . . . ?
B13 B18 B19 B20 62.7(7) . . . . ?
B22 B18 B19 B20 -37.4(5) . . . . ?
B14 B18 B19 B20 101.4(6) . . . . ?
B17 B18 B19 B20 -0.5(7) . . . . ?
C11 B15 B20 B16 -39.1(5) . . . . ?
B19 B15 B20 B16 -138.0(6) . . . . ?
B14 B15 B20 B16 -100.9(6) . . . . ?
C11 B15 B20 B21 -0.9(8) . . . . ?
B19 B15 B20 B21 -99.8(6) . . . . ?
B16 B15 B20 B21 38.2(5) . . . . ?
B14 B15 B20 B21 -62.7(7) . . . . ?
C11 B15 B20 B19 98.9(6) . . . . ?
B16 B15 B20 B19 138.0(6) . . . . ?
B14 B15 B20 B19 37.2(5) . . . . ?
C11 B15 B20 B22 61.9(7) . . . . ?
B19 B15 B20 B22 -37.0(5) . . . . ?
B16 B15 B20 B22 101.0(6) . . . . ?
B14 B15 B20 B22 0.1(7) . . . . ?
C11 B16 B20 B15 38.7(5) . . . . ?
C12 B16 B20 B15 98.8(6) . . . . ?
B21 B16 B20 B15 137.4(6) . . . . ?
C11 B16 B20 B21 -98.7(6) . . . . ?
C12 B16 B20 B21 -38.6(5) . . . . ?
B15 B16 B20 B21 -137.4(6) . . . . ?
C11 B16 B20 B19 1.6(7) . . . . ?
C12 B16 B20 B19 61.7(6) . . . . ?
B15 B16 B20 B19 -37.1(5) . . . . ?
B21 B16 B20 B19 100.3(6) . . . . ?
C11 B16 B20 B22 -61.2(6) . . . . ?
C12 B16 B20 B22 -1.2(7) . . . . ?
B15 B16 B20 B22 -99.9(6) . . . . ?
B21 B16 B20 B22 37.4(5) . . . . ?
B14 B19 B20 B15 -37.1(5) . . . . ?
B22 B19 B20 B15 -138.2(6) . . . . ?
B18 B19 B20 B15 -101.0(6) . . . . ?
B15 B19 B20 B16 37.4(5) . . . . ?
B14 B19 B20 B16 0.4(8) . . . . ?
B22 B19 B20 B16 -100.7(6) . . . . ?
B18 B19 B20 B16 -63.6(7) . . . . ?
B15 B19 B20 B21 100.9(6) . . . . ?
B14 B19 B20 B21 63.9(7) . . . . ?
B22 B19 B20 B21 -37.2(5) . . . . ?
B18 B19 B20 B21 -0.1(7) . . . . ?
B15 B19 B20 B22 138.2(6) . . . . ?
B14 B19 B20 B22 101.1(6) . . . . ?
B18 B19 B20 B22 37.1(5) . . . . ?
B22 B17 B21 C12 134.2(6) . . . . ?
B13 B17 B21 C12 34.4(5) . . . . ?
B18 B17 B21 C12 96.2(6) . . . . ?
C12 B17 B21 B22 -134.2(6) . . . . ?
B13 B17 B21 B22 -99.8(6) . . . . ?
B18 B17 B21 B22 -38.0(5) . . . . ?
C12 B17 B21 B20 -97.2(6) . . . . ?
B22 B17 B21 B20 37.0(5) . . . . ?
B13 B17 B21 B20 -62.9(7) . . . . ?
B18 B17 B21 B20 -1.0(7) . . . . ?
C12 B17 B21 B16 -33.7(5) . . . . ?
B22 B17 B21 B16 100.5(6) . . . . ?
B13 B17 B21 B16 0.7(7) . . . . ?
B18 B17 B21 B16 62.5(7) . . . . ?
B15 B20 B21 C12 1.1(8) . . . . ?
B16 B20 B21 C12 39.2(5) . . . . ?
B19 B20 B21 C12 -61.4(7) . . . . ?
B22 B20 B21 C12 -98.7(6) . . . . ?
B15 B20 B21 B17 63.2(7) . . . . ?
B16 B20 B21 B17 101.3(6) . . . . ?
B19 B20 B21 B17 0.7(7) . . . . ?
B22 B20 B21 B17 -36.5(5) . . . . ?
B15 B20 B21 B22 99.8(6) . . . . ?
B16 B20 B21 B22 137.9(6) . . . . ?
B19 B20 B21 B22 37.2(5) . . . . ?
B15 B20 B21 B16 -38.1(5) . . . . ?
B19 B20 B21 B16 -100.6(6) . . . . ?
B22 B20 B21 B16 -137.9(6) . . . . ?
C11 B16 B21 C12 -36.0(5) . . . . ?
B20 B16 B21 C12 -134.9(6) . . . . ?
B15 B16 B21 C12 -97.0(6) . . . . ?
C11 B16 B21 B17 -2.4(7) . . . . ?
C12 B16 B21 B17 33.7(5) . . . . ?
B20 B16 B21 B17 -101.2(6) . . . . ?
B15 B16 B21 B17 -63.4(7) . . . . ?
C11 B16 B21 B22 60.9(7) . . . . ?
C12 B16 B21 B22 96.9(6) . . . . ?
B20 B16 B21 B22 -38.0(6) . . . . ?
B15 B16 B21 B22 -0.2(7) . . . . ?
C11 B16 B21 B20 98.9(6) . . . . ?
C12 B16 B21 B20 134.9(6) . . . . ?
B15 B16 B21 B20 37.8(5) . . . . ?
C12 B17 B22 B21 39.3(5) . . . . ?
B13 B17 B22 B21 99.8(6) . . . . ?
B18 B17 B22 B21 137.4(6) . . . . ?
C12 B17 B22 B18 -98.1(6) . . . . ?
B13 B17 B22 B18 -37.7(5) . . . . ?
B21 B17 B22 B18 -137.4(6) . . . . ?
C12 B17 B22 B19 -60.7(7) . . . . ?
B13 B17 B22 B19 -0.3(8) . . . . ?
B21 B17 B22 B19 -100.0(6) . . . . ?
B18 B17 B22 B19 37.4(6) . . . . ?
C12 B17 B22 B20 2.8(8) . . . . ?
B13 B17 B22 B20 63.3(7) . . . . ?
B21 B17 B22 B20 -36.5(5) . . . . ?
B18 B17 B22 B20 100.9(6) . . . . ?
C12 B21 B22 B17 -39.6(5) . . . . ?
B20 B21 B22 B17 -139.2(6) . . . . ?
B16 B21 B22 B17 -101.6(6) . . . . ?
C12 B21 B22 B18 -1.3(7) . . . . ?
B17 B21 B22 B18 38.3(6) . . . . ?
B20 B21 B22 B18 -100.9(6) . . . . ?
B16 B21 B22 B18 -63.3(7) . . . . ?
C12 B21 B22 B19 62.2(7) . . . . ?
B17 B21 B22 B19 101.8(6) . . . . ?
B20 B21 B22 B19 -37.4(6) . . . . ?
B16 B21 B22 B19 0.2(8) . . . . ?
C12 B21 B22 B20 99.6(6) . . . . ?
B17 B21 B22 B20 139.2(6) . . . . ?
B16 B21 B22 B20 37.6(5) . . . . ?
B13 B18 B22 B17 38.3(5) . . . . ?
B19 B18 B22 B17 138.4(6) . . . . ?
B14 B18 B22 B17 101.5(6) . . . . ?
B13 B18 B22 B21 0.2(8) . . . . ?
B19 B18 B22 B21 100.2(6) . . . . ?
B14 B18 B22 B21 63.4(7) . . . . ?
B17 B18 B22 B21 -38.2(5) . . . . ?
B13 B18 B22 B19 -100.1(6) . . . . ?
B14 B18 B22 B19 -36.8(5) . . . . ?
B17 B18 B22 B19 -138.4(6) . . . . ?
B13 B18 B22 B20 -63.1(7) . . . . ?
B19 B18 B22 B20 37.0(5) . . . . ?
B14 B18 B22 B20 0.2(8) . . . . ?
B17 B18 B22 B20 -101.4(6) . . . . ?
B15 B19 B22 B17 63.5(8) . . . . ?
B14 B19 B22 B17 -0.5(8) . . . . ?
B18 B19 B22 B17 -37.6(6) . . . . ?
B20 B19 B22 B17 101.0(6) . . . . ?
B15 B19 B22 B21 -0.1(8) . . . . ?
B14 B19 B22 B21 -64.2(7) . . . . ?
B18 B19 B22 B21 -101.3(6) . . . . ?
B20 B19 B22 B21 37.4(5) . . . . ?
B15 B19 B22 B18 101.1(6) . . . . ?
B14 B19 B22 B18 37.1(6) . . . . ?
B20 B19 B22 B18 138.6(6) . . . . ?
B15 B19 B22 B20 -37.5(5) . . . . ?
B14 B19 B22 B20 -101.6(6) . . . . ?
B18 B19 B22 B20 -138.6(6) . . . . ?
B15 B20 B22 B17 -64.3(7) . . . . ?
B16 B20 B22 B17 -1.0(8) . . . . ?
B21 B20 B22 B17 36.7(6) . . . . ?
B19 B20 B22 B17 -101.2(6) . . . . ?
B15 B20 B22 B21 -101.0(6) . . . . ?
B16 B20 B22 B21 -37.7(5) . . . . ?
B19 B20 B22 B21 -137.9(6) . . . . ?
B15 B20 B22 B18 -0.2(7) . . . . ?
B16 B20 B22 B18 63.1(7) . . . . ?
B21 B20 B22 B18 100.9(6) . . . . ?
B19 B20 B22 B18 -37.1(5) . . . . ?
B15 B20 B22 B19 36.9(5) . . . . ?
B16 B20 B22 B19 100.2(6) . . . . ?
B21 B20 B22 B19 137.9(6) . . . . ?
C4 N1 C3 C1 155.4(6) . . . . ?
C4 N1 C3 S1 -23.4(9) . . . . ?
C2 C1 C3 N1 -4.3(8) . . . . ?
B4 C1 C3 N1 140.1(6) . . . . ?
B5 C1 C3 N1 -145.4(6) . . . . ?
B3 C1 C3 N1 67.1(7) . . . . ?
B6 C1 C3 N1 -73.4(7) . . . . ?
C2 C1 C3 S1 174.6(4) . . . . ?
B4 C1 C3 S1 -41.0(7) . . . . ?
B5 C1 C3 S1 33.5(7) . . . . ?
B3 C1 C3 S1 -114.0(5) . . . . ?
B6 C1 C3 S1 105.5(5) . . . . ?
Ir1 S1 C3 N1 -25.1(6) . . . . ?
Ir1 S1 C3 C1 156.1(4) . . . . ?
C3 N1 C4 C5 35.9(9) . . . . ?
C3 N1 C4 C9 -141.0(6) . . . . ?
C9 C4 C5 C6 5.7(9) . . . . ?
N1 C4 C5 C6 -170.9(6) . . . . ?
C9 C4 C5 Ir1 -170.2(5) . . . . ?
N1 C4 C5 Ir1 13.3(8) . . . . ?
C4 C5 C6 C7 -5.1(9) . . . . ?
Ir1 C5 C6 C7 170.7(5) . . . . ?
C4 C5 C6 N2 170.0(6) . . . . ?
Ir1 C5 C6 N2 -14.2(8) . . . . ?
C10 N2 C6 C7 145.1(7) . . . . ?
C10 N2 C6 C5 -30.4(10) . . . . ?
C5 C6 C7 C8 1.2(11) . . . . ?
N2 C6 C7 C8 -174.3(7) . . . . ?
C6 C7 C8 C9 2.5(13) . . . . ?
C7 C8 C9 C4 -2.0(13) . . . . ?
C5 C4 C9 C8 -2.4(11) . . . . ?
N1 C4 C9 C8 174.5(7) . . . . ?
C6 N2 C10 C11 -159.3(6) . . . . ?
C6 N2 C10 S2 18.9(9) . . . . ?
Ir1 S2 C10 N2 25.4(6) . . . . ?
Ir1 S2 C10 C11 -156.5(4) . . . . ?
N2 C10 C11 C12 177.9(5) . . . . ?
S2 C10 C11 C12 -0.4(8) . . . . ?
N2 C10 C11 B13 -112.5(6) . . . . ?
S2 C10 C11 B13 69.2(7) . . . . ?
N2 C10 C11 B15 34.7(8) . . . . ?
S2 C10 C11 B15 -143.6(5) . . . . ?
N2 C10 C11 B14 -39.9(8) . . . . ?
S2 C10 C11 B14 141.8(5) . . . . ?
N2 C10 C11 B16 107.4(6) . . . . ?
S2 C10 C11 B16 -70.9(6) . . . . ?
C12 B13 C11 C10 -108.2(6) . . . . ?
B18 B13 C11 C10 151.3(6) . . . . ?
B14 B13 C11 C10 111.4(6) . . . . ?
B17 B13 C11 C10 -144.5(5) . . . . ?
B18 B13 C11 C12 -100.5(6) . . . . ?
B14 B13 C11 C12 -140.4(5) . . . . ?
B17 B13 C11 C12 -36.3(5) . . . . ?
C12 B13 C11 B15 101.9(5) . . . . ?
B18 B13 C11 B15 1.4(7) . . . . ?
B14 B13 C11 B15 -38.4(5) . . . . ?
B17 B13 C11 B15 65.6(7) . . . . ?
C12 B13 C11 B14 140.4(5) . . . . ?
B18 B13 C11 B14 39.9(5) . . . . ?
B17 B13 C11 B14 104.1(6) . . . . ?
C12 B13 C11 B16 33.3(5) . . . . ?
B18 B13 C11 B16 -67.2(7) . . . . ?
B14 B13 C11 B16 -107.0(5) . . . . ?
B17 B13 C11 B16 -3.0(7) . . . . ?
B19 B15 C11 C10 -150.9(6) . . . . ?
B20 B15 C11 C10 145.9(6) . . . . ?
B16 B15 C11 C10 106.3(6) . . . . ?
B14 B15 C11 C10 -110.7(6) . . . . ?
B19 B15 C11 C12 63.5(6) . . . . ?
B20 B15 C11 C12 0.3(7) . . . . ?
B16 B15 C11 C12 -39.3(5) . . . . ?
B14 B15 C11 C12 103.7(5) . . . . ?
B19 B15 C11 B13 -2.0(7) . . . . ?
B20 B15 C11 B13 -65.2(7) . . . . ?
B16 B15 C11 B13 -104.8(6) . . . . ?
B14 B15 C11 B13 38.2(5) . . . . ?
B19 B15 C11 B14 -40.2(5) . . . . ?
B20 B15 C11 B14 -103.4(6) . . . . ?
B16 B15 C11 B14 -143.0(5) . . . . ?
B19 B15 C11 B16 102.8(6) . . . . ?
B20 B15 C11 B16 39.6(5) . . . . ?
B14 B15 C11 B16 143.0(5) . . . . ?
B13 B14 C11 C10 -108.2(6) . . . . ?
B19 B14 C11 C10 151.4(6) . . . . ?
B15 B14 C11 C10 111.9(6) . . . . ?
B18 B14 C11 C10 -146.6(6) . . . . ?
B13 B14 C11 C12 36.5(5) . . . . ?
B19 B14 C11 C12 -63.9(7) . . . . ?
B15 B14 C11 C12 -103.4(6) . . . . ?
B18 B14 C11 C12 -1.9(7) . . . . ?
B19 B14 C11 B13 -100.4(6) . . . . ?
B15 B14 C11 B13 -139.9(5) . . . . ?
B18 B14 C11 B13 -38.4(5) . . . . ?
B13 B14 C11 B15 139.9(5) . . . . ?
B19 B14 C11 B15 39.5(5) . . . . ?
B18 B14 C11 B15 101.5(6) . . . . ?
B13 B14 C11 B16 103.8(6) . . . . ?
B19 B14 C11 B16 3.4(7) . . . . ?
B15 B14 C11 B16 -36.0(5) . . . . ?
B18 B14 C11 B16 65.5(7) . . . . ?
C12 B16 C11 C10 109.3(5) . . . . ?
B20 B16 C11 C10 -152.3(5) . . . . ?
B15 B16 C11 C10 -113.0(6) . . . . ?
B21 B16 C11 C10 145.5(5) . . . . ?
B20 B16 C11 C12 98.4(5) . . . . ?
B15 B16 C11 C12 137.7(5) . . . . ?
B21 B16 C11 C12 36.2(5) . . . . ?
C12 B16 C11 B13 -32.9(5) . . . . ?
B20 B16 C11 B13 65.5(6) . . . . ?
B15 B16 C11 B13 104.8(6) . . . . ?
B21 B16 C11 B13 3.3(7) . . . . ?
C12 B16 C11 B15 -137.7(5) . . . . ?
B20 B16 C11 B15 -39.3(5) . . . . ?
B21 B16 C11 B15 -101.5(6) . . . . ?
C12 B16 C11 B14 -101.6(6) . . . . ?
B20 B16 C11 B14 -3.2(7) . . . . ?
B15 B16 C11 B14 36.1(5) . . . . ?
B21 B16 C11 B14 -65.4(6) . . . . ?
C10 C11 C12 B13 108.3(6) . . . . ?
B15 C11 C12 B13 -105.1(6) . . . . ?
B14 C11 C12 B13 -37.2(5) . . . . ?
B16 C11 C12 B13 -144.8(5) . . . . ?
C10 C11 C12 B21 -146.3(6) . . . . ?
B13 C11 C12 B21 105.4(6) . . . . ?
B15 C11 C12 B21 0.4(7) . . . . ?
B14 C11 C12 B21 68.2(7) . . . . ?
B16 C11 C12 B21 -39.4(5) . . . . ?
C10 C11 C12 B17 146.7(6) . . . . ?
B13 C11 C12 B17 38.4(5) . . . . ?
B15 C11 C12 B17 -66.7(7) . . . . ?
B14 C11 C12 B17 1.2(7) . . . . ?
B16 C11 C12 B17 -106.4(6) . . . . ?
C10 C11 C12 B16 -106.9(6) . . . . ?
B13 C11 C12 B16 144.8(5) . . . . ?
B15 C11 C12 B16 39.7(5) . . . . ?
B14 C11 C12 B16 107.6(6) . . . . ?
B18 B13 C12 C11 99.4(6) . . . . ?
B14 B13 C12 C11 35.0(5) . . . . ?
B17 B13 C12 C11 139.1(5) . . . . ?
C11 B13 C12 B21 -101.3(5) . . . . ?
B18 B13 C12 B21 -2.0(7) . . . . ?
B14 B13 C12 B21 -66.3(6) . . . . ?
B17 B13 C12 B21 37.8(5) . . . . ?
C11 B13 C12 B17 -139.1(5) . . . . ?
B18 B13 C12 B17 -39.7(5) . . . . ?
B14 B13 C12 B17 -104.1(6) . . . . ?
C11 B13 C12 B16 -32.9(5) . . . . ?
B18 B13 C12 B16 66.4(7) . . . . ?
B14 B13 C12 B16 2.1(7) . . . . ?
B17 B13 C12 B16 106.2(6) . . . . ?
B17 B21 C12 C11 -103.8(6) . . . . ?
B22 B21 C12 C11 -64.0(7) . . . . ?
B20 B21 C12 C11 -0.9(7) . . . . ?
B16 B21 C12 C11 38.6(5) . . . . ?
B17 B21 C12 B13 -37.8(5) . . . . ?
B22 B21 C12 B13 2.0(7) . . . . ?
B20 B21 C12 B13 65.1(7) . . . . ?
B16 B21 C12 B13 104.6(6) . . . . ?
B22 B21 C12 B17 39.8(5) . . . . ?
B20 B21 C12 B17 102.9(6) . . . . ?
B16 B21 C12 B17 142.4(6) . . . . ?
B17 B21 C12 B16 -142.4(6) . . . . ?
B22 B21 C12 B16 -102.6(6) . . . . ?
B20 B21 C12 B16 -39.5(5) . . . . ?
B22 B17 C12 C11 62.4(7) . . . . ?
B13 B17 C12 C11 -37.8(5) . . . . ?
B21 B17 C12 C11 102.5(6) . . . . ?
B18 B17 C12 C11 0.1(7) . . . . ?
B22 B17 C12 B13 100.2(6) . . . . ?
B21 B17 C12 B13 140.3(6) . . . . ?
B18 B17 C12 B13 38.0(5) . . . . ?
B22 B17 C12 B21 -40.1(5) . . . . ?
B13 B17 C12 B21 -140.3(6) . . . . ?
B18 B17 C12 B21 -102.4(6) . . . . ?
B22 B17 C12 B16 -3.7(8) . . . . ?
B13 B17 C12 B16 -104.0(6) . . . . ?
B21 B17 C12 B16 36.3(5) . . . . ?
B18 B17 C12 B16 -66.0(7) . . . . ?
B20 B16 C12 C11 -98.5(5) . . . . ?
B15 B16 C12 C11 -36.4(4) . . . . ?
B21 B16 C12 C11 -137.8(5) . . . . ?
C11 B16 C12 B13 33.1(5) . . . . ?
B20 B16 C12 B13 -65.4(6) . . . . ?
B15 B16 C12 B13 -3.3(7) . . . . ?
B21 B16 C12 B13 -104.8(6) . . . . ?
C11 B16 C12 B21 137.8(5) . . . . ?
B20 B16 C12 B21 39.4(5) . . . . ?
B15 B16 C12 B21 101.5(6) . . . . ?
C11 B16 C12 B17 101.6(6) . . . . ?
B20 B16 C12 B17 3.1(7) . . . . ?
B15 B16 C12 B17 65.2(7) . . . . ?
B21 B16 C12 B17 -36.2(6) . . . . ?
C17 C13 C14 C15 -2.3(7) . . . . ?
C18 C13 C14 C15 -174.7(6) . . . . ?
Ir1 C13 C14 C15 61.0(4) . . . . ?
C17 C13 C14 C19 175.7(6) . . . . ?
C18 C13 C14 C19 3.3(11) . . . . ?
Ir1 C13 C14 C19 -120.9(7) . . . . ?
C17 C13 C14 Ir1 -63.4(4) . . . . ?
C18 C13 C14 Ir1 124.2(6) . . . . ?
C13 C14 C15 C16 3.0(7) . . . . ?
C19 C14 C15 C16 -175.1(6) . . . . ?
Ir1 C14 C15 C16 64.4(4) . . . . ?
C13 C14 C15 C20 175.3(6) . . . . ?
C19 C14 C15 C20 -2.7(11) . . . . ?
Ir1 C14 C15 C20 -123.2(6) . . . . ?
C13 C14 C15 Ir1 -61.5(4) . . . . ?
C19 C14 C15 Ir1 120.5(7) . . . . ?
C14 C15 C16 C17 -2.4(7) . . . . ?
C20 C15 C16 C17 -174.8(6) . . . . ?
Ir1 C15 C16 C17 61.0(4) . . . . ?
C14 C15 C16 C21 176.3(6) . . . . ?
C20 C15 C16 C21 3.9(10) . . . . ?
Ir1 C15 C16 C21 -120.4(6) . . . . ?
C14 C15 C16 Ir1 -63.4(4) . . . . ?
C20 C15 C16 Ir1 124.2(6) . . . . ?
C15 C16 C17 C13 0.9(7) . . . . ?
C21 C16 C17 C13 -177.7(6) . . . . ?
Ir1 C16 C17 C13 60.4(4) . . . . ?
C15 C16 C17 C22 177.7(6) . . . . ?
C21 C16 C17 C22 -1.0(11) . . . . ?
Ir1 C16 C17 C22 -122.8(7) . . . . ?
C15 C16 C17 Ir1 -59.5(4) . . . . ?
C21 C16 C17 Ir1 121.8(6) . . . . ?
C14 C13 C17 C16 0.9(7) . . . . ?
C18 C13 C17 C16 173.5(6) . . . . ?
Ir1 C13 C17 C16 -61.9(4) . . . . ?
C14 C13 C17 C22 -175.9(6) . . . . ?
C18 C13 C17 C22 -3.3(10) . . . . ?
Ir1 C13 C17 C22 121.3(6) . . . . ?
C14 C13 C17 Ir1 62.8(4) . . . . ?
C18 C13 C17 Ir1 -124.6(6) . . . . ?
O3 S3 C23 F2 171.7(10) . . . . ?
O2 S3 C23 F2 52.9(12) . . . . ?
O1 S3 C23 F2 -65.2(13) . . . . ?
O3 S3 C23 F1 50.8(16) . . . . ?
O2 S3 C23 F1 -68.0(16) . . . . ?
O1 S3 C23 F1 173.9(15) . . . . ?
O3 S3 C23 F3 -67.8(13) . . . . ?
O2 S3 C23 F3 173.3(11) . . . . ?
O1 S3 C23 F3 55.2(14) . . . . ?
O1' S3' C23' F2' 60(2) . . . . ?
O3' S3' C23' F2' -179.0(18) . . . . ?
O2' S3' C23' F2' -59(2) . . . . ?
O1' S3' C23' F3' -62(2) . . . . ?
O3' S3' C23' F3' 59(2) . . . . ?
O2' S3' C23' F3' 179(2) . . . . ?
O1' S3' C23' F1' 172(3) . . . . ?
O3' S3' C23' F1' -66(3) . . . . ?
O2' S3' C23' F1' 53(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N1 H1 O2^a 0.90(7) 1.97(7) 2.867(9) 172(6) . yes
N1 H1 O2'^b 0.90(7) 1.92(7) 2.73(2) 148(6) . yes
N2 H2 O1^a 0.86(7) 2.15(8) 2.957(17) 156(6) 2_667 yes
N2 H2 O1'^b 0.86(7) 2.29(8) 3.12(3) 161(6) 2_667 yes

_refine_diff_density_max         1.324
_refine_diff_density_min         -2.189
_refine_diff_density_rms         0.137

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cu_230824a_a
_database_code_depnum_ccdc_archive 'CCDC 2303639'
loop_
_audit_author_name
_audit_author_address
'Xin-Ran Liu'
;Fudan university
China
;
_audit_update_record             
;
2023-10-25 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H52 B20 N5 Rh S2'
_chemical_formula_weight         829.96

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   12.1157(11)
_cell_length_b                   13.1515(12)
_cell_length_c                   15.8884(14)
_cell_angle_alpha                102.935(4)
_cell_angle_beta                 95.742(5)
_cell_angle_gamma                111.659(4)
_cell_volume                     2246.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9801
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      65.46

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_F_000             852
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    4.131
_shelx_estimated_absorpt_T_min   0.523
_shelx_estimated_absorpt_T_max   0.659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.523
_exptl_absorpt_correction_T_max  0.644
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13869
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.913
_diffrn_reflns_theta_max         64.999
_diffrn_reflns_theta_full        64.999
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             7550
_reflns_number_gt                6907
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0240P)²+1.1356P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7550
_refine_ls_number_parameters     513
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0291
_refine_ls_wR_factor_ref         0.0704
_refine_ls_wR_factor_gt          0.0685
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Rh1 Rh 0.55559(2) 0.72003(2) 0.28210(2) 0.02045(6) Uani 1 1 d . . . . .
S1 S 0.36708(5) 0.68424(5) 0.32579(4) 0.02961(13) Uani 1 1 d . . . . .
S2 S 0.73938(5) 0.73672(5) 0.23903(4) 0.03194(14) Uani 1 1 d . . . . .
N1 N 0.28617(16) 0.67088(15) 0.15491(12) 0.0258(4) Uani 1 1 d . . . . .
N2 N 0.72966(16) 0.91909(15) 0.18727(12) 0.0246(4) Uani 1 1 d . . . . .
C1 C 0.14558(19) 0.54478(19) 0.21561(15) 0.0253(5) Uani 1 1 d . . . . .
C2 C 0.0337(2) 0.5453(2) 0.14861(18) 0.0353(6) Uani 1 1 d D . . . .
H2 H 0.060(2) 0.6079(19) 0.1230(16) 0.034(7) Uiso 1 1 d D . . . .
B3 B 0.0866(3) 0.4418(2) 0.11414(19) 0.0333(6) Uani 1 1 d . . . . .
H3 H 0.136817 0.435479 0.059057 0.040 Uiso 1 1 calc R U . . .
B4 B 0.1228(2) 0.4078(2) 0.21238(19) 0.0304(6) Uani 1 1 d . . . . .
H4 H 0.197487 0.378181 0.222346 0.036 Uiso 1 1 calc R U . . .
B5 B 0.0936(2) 0.4969(2) 0.30142(19) 0.0319(6) Uani 1 1 d . . . . .
H5 H 0.148571 0.525263 0.369839 0.038 Uiso 1 1 calc R U . . .
B6 B 0.0409(3) 0.5888(2) 0.2596(2) 0.0377(7) Uani 1 1 d . . . . .
H6 H 0.061421 0.677955 0.299075 0.045 Uiso 1 1 calc R U . . .
B7 B -0.0703(3) 0.4129(3) 0.0951(2) 0.0452(8) Uani 1 1 d . . . . .
H7 H -0.124290 0.386905 0.026595 0.054 Uiso 1 1 calc R U . . .
B8 B -0.0171(3) 0.3211(2) 0.1366(2) 0.0379(7) Uani 1 1 d . . . . .
H8 H -0.036288 0.232688 0.096191 0.045 Uiso 1 1 calc R U . . .
B9 B -0.0130(3) 0.3544(2) 0.2515(2) 0.0356(7) Uani 1 1 d . . . . .
H9 H -0.029720 0.287481 0.287305 0.043 Uiso 1 1 calc R U . . .
B10 B -0.0632(3) 0.4661(3) 0.2804(2) 0.0457(8) Uani 1 1 d . . . . .
H10 H -0.113365 0.473401 0.335377 0.055 Uiso 1 1 calc R U . . .
B11 B -0.0984(3) 0.5020(3) 0.1834(3) 0.0501(9) Uani 1 1 d . . . . .
H11 H -0.170639 0.534516 0.173164 0.060 Uiso 1 1 calc R U . . .
B12 B -0.1323(3) 0.3573(3) 0.1790(2) 0.0455(8) Uani 1 1 d . . . . .
H12 H -0.227792 0.292636 0.166657 0.055 Uiso 1 1 calc R U . . .
B13 B 1.0083(2) 1.0302(2) 0.30730(19) 0.0334(6) Uani 1 1 d . . . . .
H13 H 0.970911 1.062636 0.364128 0.040 Uiso 1 1 calc R U . . .
B14 B 1.0271(2) 0.9000(2) 0.2900(2) 0.0336(6) Uani 1 1 d . . . . .
H14 H 1.002756 0.846162 0.336402 0.040 Uiso 1 1 calc R U . . .
B15 B 1.0011(2) 0.8375(2) 0.1746(2) 0.0350(6) Uani 1 1 d . . . . .
H15 H 0.959651 0.742759 0.145188 0.042 Uiso 1 1 calc R U . . .
B16 B 0.9673(2) 0.9299(2) 0.11913(19) 0.0336(6) Uani 1 1 d . . . . .
H16 H 0.903648 0.897130 0.053738 0.040 Uiso 1 1 calc R U . . .
B17 B 1.1216(2) 1.1228(2) 0.2640(2) 0.0406(7) Uani 1 1 d . . . . .
H17 H 1.160076 1.217632 0.292936 0.049 Uiso 1 1 calc R U . . .
B18 B 1.1562(3) 1.0314(3) 0.3198(2) 0.0413(7) Uani 1 1 d . . . . .
H18 H 1.218575 1.065340 0.385907 0.050 Uiso 1 1 calc R U . . .
B19 B 1.1518(3) 0.9117(3) 0.2377(2) 0.0403(7) Uani 1 1 d . . . . .
H19 H 1.211310 0.866196 0.249401 0.048 Uiso 1 1 calc R U . . .
B20 B 1.1146(3) 0.9308(3) 0.1319(2) 0.0426(7) Uani 1 1 d . . . . .
H20 H 1.149827 0.898121 0.073839 0.051 Uiso 1 1 calc R U . . .
B21 B 1.0964(3) 1.0609(3) 0.1494(2) 0.0405(7) Uani 1 1 d . . . . .
H21 H 1.118550 1.115067 0.103059 0.049 Uiso 1 1 calc R U . . .
B22 B 1.2107(3) 1.0498(3) 0.2220(2) 0.0420(8) Uani 1 1 d . . . . .
H22 H 1.309660 1.095738 0.223602 0.050 Uiso 1 1 calc R U . . .
C3 C 0.27000(19) 0.63814(18) 0.22410(14) 0.0238(5) Uani 1 1 d . . . . .
C4 C 0.39030(19) 0.76213(18) 0.14871(14) 0.0241(5) Uani 1 1 d . . . . .
C5 C 0.51169(19) 0.79057(17) 0.18691(13) 0.0209(4) Uani 1 1 d . . . . .
C6 C 0.60164(19) 0.87906(18) 0.16382(14) 0.0237(5) Uani 1 1 d . . . . .
C7 C 0.5682(2) 0.9393(2) 0.11112(16) 0.0318(5) Uani 1 1 d . . . . .
H7A H 0.629717 1.000651 0.098599 0.038 Uiso 1 1 calc R U . . .
C8 C 0.4484(2) 0.9120(2) 0.07690(17) 0.0366(6) Uani 1 1 d . . . . .
H8A H 0.427168 0.955020 0.042459 0.044 Uiso 1 1 calc R U . . .
C9 C 0.3604(2) 0.8216(2) 0.09358(16) 0.0304(5) Uani 1 1 d . . . . .
H9A H 0.277975 0.799013 0.067325 0.036 Uiso 1 1 calc R U . . .
C10 C 0.78763(19) 0.86405(18) 0.21216(14) 0.0234(5) Uani 1 1 d . . . . .
C11 C 0.92390(19) 0.91590(18) 0.21769(14) 0.0245(5) Uani 1 1 d . . . . .
C12 C 0.9805(2) 1.04278(19) 0.20312(16) 0.0305(5) Uani 1 1 d D . . . .
H12A H 0.921(2) 1.076(2) 0.1945(15) 0.029(6) Uiso 1 1 d D . . . .
C13 C 0.48980(19) 0.56562(19) 0.19720(15) 0.0252(5) Uani 1 1 d . . . . .
C14 C 0.4467(2) 0.3645(2) 0.09668(17) 0.0394(6) Uani 1 1 d . . . . .
C15 C 0.5501(3) 0.3813(3) 0.0489(2) 0.0551(8) Uani 1 1 d . . . . .
H15A H 0.546145 0.427410 0.008930 0.083 Uiso 1 1 calc R U . . .
H15B H 0.544423 0.306950 0.014799 0.083 Uiso 1 1 calc R U . . .
H15C H 0.627071 0.420512 0.091726 0.083 Uiso 1 1 calc R U . . .
C16 C 0.4493(5) 0.2948(3) 0.1600(3) 0.1067(17) Uani 1 1 d . U . . .
H16A H 0.528426 0.330296 0.200309 0.160 Uiso 1 1 calc R U . . .
H16B H 0.435722 0.217378 0.126786 0.160 Uiso 1 1 calc R U . . .
H16C H 0.385431 0.291460 0.193913 0.160 Uiso 1 1 calc R U . . .
C17 C 0.3265(3) 0.3136(3) 0.0319(3) 0.0863(14) Uani 1 1 d . . . . .
H17A H 0.260266 0.302793 0.064337 0.129 Uiso 1 1 calc R U . . .
H17B H 0.315941 0.239768 -0.006666 0.129 Uiso 1 1 calc R U . . .
H17C H 0.325507 0.365201 -0.003812 0.129 Uiso 1 1 calc R U . . .
N3 N 0.46247(17) 0.47652(16) 0.15029(13) 0.0297(4) Uani 1 1 d . . . . .
C18 C 0.6190(2) 0.8810(2) 0.35592(15) 0.0275(5) Uani 1 1 d . . . . .
C19 C 0.6779(3) 1.0988(2) 0.42110(18) 0.0431(7) Uani 1 1 d . . . . .
C20 C 0.5616(3) 1.1132(3) 0.4327(3) 0.0756(11) Uani 1 1 d . . . . .
H20A H 0.503131 1.077637 0.376483 0.113 Uiso 1 1 calc R U . . .
H20B H 0.578583 1.194633 0.452103 0.113 Uiso 1 1 calc R U . . .
H20C H 0.527646 1.076754 0.477124 0.113 Uiso 1 1 calc R U . . .
C21 C 0.7675(4) 1.1461(3) 0.5086(3) 0.0909(14) Uani 1 1 d . . . . .
H21A H 0.730033 1.108407 0.551391 0.136 Uiso 1 1 calc R U . . .
H21B H 0.789948 1.228312 0.530514 0.136 Uiso 1 1 calc R U . . .
H21C H 0.840176 1.131989 0.500264 0.136 Uiso 1 1 calc R U . . .
C22 C 0.7320(4) 1.1514(3) 0.3519(3) 0.0809(13) Uani 1 1 d . . . . .
H22A H 0.803416 1.135515 0.342547 0.121 Uiso 1 1 calc R U . . .
H22B H 0.755853 1.234045 0.371615 0.121 Uiso 1 1 calc R U . . .
H22C H 0.671841 1.118922 0.296585 0.121 Uiso 1 1 calc R U . . .
N4 N 0.64827(19) 0.97656(17) 0.39027(13) 0.0338(5) Uani 1 1 d . . . . .
C23 C 0.6097(2) 0.65737(18) 0.37835(15) 0.0273(5) Uani 1 1 d . . . . .
C24 C 0.7133(2) 0.5819(2) 0.48811(16) 0.0342(6) Uani 1 1 d . . . . .
C25 C 0.8482(2) 0.6571(3) 0.5026(2) 0.0494(7) Uani 1 1 d . . . . .
H25A H 0.874072 0.649991 0.445903 0.074 Uiso 1 1 calc R U . . .
H25B H 0.894635 0.632743 0.541912 0.074 Uiso 1 1 calc R U . . .
H25C H 0.862380 0.736691 0.529437 0.074 Uiso 1 1 calc R U . . .
C26 C 0.6650(2) 0.5958(2) 0.57277(17) 0.0438(7) Uani 1 1 d . . . . .
H26A H 0.674690 0.674910 0.595298 0.066 Uiso 1 1 calc R U . . .
H26B H 0.710325 0.576449 0.616797 0.066 Uiso 1 1 calc R U . . .
H26C H 0.578931 0.544827 0.560796 0.066 Uiso 1 1 calc R U . . .
C27 C 0.6854(3) 0.4576(2) 0.4443(2) 0.0487(7) Uani 1 1 d . . . . .
H27A H 0.598161 0.412177 0.435284 0.073 Uiso 1 1 calc R U . . .
H27B H 0.729744 0.429797 0.482080 0.073 Uiso 1 1 calc R U . . .
H27C H 0.710403 0.450473 0.387204 0.073 Uiso 1 1 calc R U . . .
N5 N 0.64969(17) 0.62135(16) 0.42750(13) 0.0308(4) Uani 1 1 d . . . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Rh1 C13 1.986(2) . ?
Rh1 C18 1.988(2) . ?
Rh1 C23 2.052(2) . ?
Rh1 C5 2.065(2) . ?
Rh1 S2 2.3423(6) . ?
Rh1 S1 2.3642(6) . ?
S1 C3 1.737(2) . ?
S2 C10 1.725(2) . ?
N1 C3 1.275(3) . ?
N1 C4 1.415(3) . ?
N2 C10 1.273(3) . ?
N2 C6 1.420(3) . ?
C1 C3 1.522(3) . ?
C1 C2 1.640(3) . ?
C1 B4 1.707(3) . ?
C1 B5 1.707(3) . ?
C1 B6 1.724(4) . ?
C1 B3 1.738(3) . ?
C2 B11 1.684(4) . ?
C2 B7 1.687(4) . ?
C2 B6 1.710(4) . ?
C2 B3 1.715(4) . ?
C2 H2 0.96(2) . ?
B3 B8 1.760(4) . ?
B3 B4 1.775(4) . ?
B3 B7 1.775(4) . ?
B3 H3 1.1200 . ?
B4 B9 1.770(4) . ?
B4 B5 1.778(4) . ?
B4 B8 1.781(4) . ?
B4 H4 1.1200 . ?
B5 B10 1.769(4) . ?
B5 B9 1.776(4) . ?
B5 B6 1.777(4) . ?
B5 H5 1.1200 . ?
B6 B10 1.767(4) . ?
B6 B11 1.779(5) . ?
B6 H6 1.1200 . ?
B7 B12 1.763(5) . ?
B7 B11 1.764(5) . ?
B7 B8 1.776(4) . ?
B7 H7 1.1200 . ?
B8 B9 1.771(4) . ?
B8 B12 1.778(5) . ?
B8 H8 1.1200 . ?
B9 B12 1.773(4) . ?
B9 B10 1.775(4) . ?
B9 H9 1.1200 . ?
B10 B11 1.768(5) . ?
B10 B12 1.777(5) . ?
B10 H10 1.1200 . ?
B11 B12 1.777(4) . ?
B11 H11 1.1200 . ?
B12 H12 1.1200 . ?
B13 C12 1.713(4) . ?
B13 C11 1.717(3) . ?
B13 B14 1.774(4) . ?
B13 B18 1.777(4) . ?
B13 B17 1.781(4) . ?
B13 H13 1.1200 . ?
B14 C11 1.715(3) . ?
B14 B19 1.771(4) . ?
B14 B18 1.774(4) . ?
B14 B15 1.776(4) . ?
B14 H14 1.1200 . ?
B15 C11 1.711(4) . ?
B15 B19 1.781(4) . ?
B15 B20 1.782(4) . ?
B15 B16 1.787(4) . ?
B15 H15 1.1200 . ?
B16 C12 1.705(4) . ?
B16 C11 1.728(3) . ?
B16 B21 1.771(4) . ?
B16 B20 1.771(4) . ?
B16 H16 1.1200 . ?
B17 C12 1.689(3) . ?
B17 B21 1.765(5) . ?
B17 B22 1.776(5) . ?
B17 B18 1.784(4) . ?
B17 H17 1.1200 . ?
B18 B22 1.780(5) . ?
B18 B19 1.786(5) . ?
B18 H18 1.1200 . ?
B19 B22 1.776(4) . ?
B19 B20 1.792(5) . ?
B19 H19 1.1200 . ?
B20 B21 1.769(5) . ?
B20 B22 1.781(5) . ?
B20 H20 1.1200 . ?
B21 C12 1.686(4) . ?
B21 B22 1.782(4) . ?
B21 H21 1.1200 . ?
B22 H22 1.1200 . ?
C4 C9 1.401(3) . ?
C4 C5 1.409(3) . ?
C5 C6 1.418(3) . ?
C6 C7 1.400(3) . ?
C7 C8 1.379(3) . ?
C7 H7A 0.9500 . ?
C8 C9 1.372(3) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.520(3) . ?
C11 C12 1.634(3) . ?
C12 H12A 0.99(2) . ?
C13 N3 1.145(3) . ?
C14 N3 1.459(3) . ?
C14 C15 1.502(4) . ?
C14 C16 1.510(4) . ?
C14 C17 1.517(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 N4 1.153(3) . ?
C19 N4 1.462(3) . ?
C19 C22 1.505(4) . ?
C19 C20 1.514(4) . ?
C19 C21 1.519(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 N5 1.153(3) . ?
C24 N5 1.470(3) . ?
C24 C27 1.519(4) . ?
C24 C26 1.520(4) . ?
C24 C25 1.526(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?

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
C13 Rh1 C18 173.76(8) . . ?
C13 Rh1 C23 90.09(9) . . ?
C18 Rh1 C23 96.03(9) . . ?
C13 Rh1 C5 92.03(8) . . ?
C18 Rh1 C5 81.80(8) . . ?
C23 Rh1 C5 176.54(8) . . ?
C13 Rh1 S2 84.61(6) . . ?
C18 Rh1 S2 94.58(7) . . ?
C23 Rh1 S2 85.72(7) . . ?
C5 Rh1 S2 91.75(6) . . ?
C13 Rh1 S1 91.10(6) . . ?
C18 Rh1 S1 90.11(7) . . ?
C23 Rh1 S1 90.41(7) . . ?
C5 Rh1 S1 92.28(6) . . ?
S2 Rh1 S1 174.21(2) . . ?
C3 S1 Rh1 100.83(7) . . ?
C10 S2 Rh1 103.61(8) . . ?
C3 N1 C4 124.83(19) . . ?
C10 N2 C6 125.88(18) . . ?
C3 C1 C2 116.05(17) . . ?
C3 C1 B4 123.34(18) . . ?
C2 C1 B4 109.82(18) . . ?
C3 C1 B5 124.05(19) . . ?
C2 C1 B5 109.84(18) . . ?
B4 C1 B5 62.78(15) . . ?
C3 C1 B6 116.04(19) . . ?
C2 C1 B6 61.05(16) . . ?
B4 C1 B6 114.33(18) . . ?
B5 C1 B6 62.38(16) . . ?
C3 C1 B3 115.61(18) . . ?
C2 C1 B3 60.95(15) . . ?
B4 C1 B3 61.99(15) . . ?
B5 C1 B3 113.72(18) . . ?
B6 C1 B3 114.02(19) . . ?
C1 C2 B11 112.7(2) . . ?
C1 C2 B7 112.77(19) . . ?
B11 C2 B7 63.1(2) . . ?
C1 C2 B6 61.88(15) . . ?
B11 C2 B6 63.22(19) . . ?
B7 C2 B6 115.8(2) . . ?
C1 C2 B3 62.35(14) . . ?
B11 C2 B3 115.6(2) . . ?
B7 C2 B3 62.86(18) . . ?
B6 C2 B3 115.91(19) . . ?
C1 C2 H2 112.3(15) . . ?
B11 C2 H2 122.9(15) . . ?
B7 C2 H2 124.7(15) . . ?
B6 C2 H2 112.8(15) . . ?
B3 C2 H2 115.5(15) . . ?
C2 B3 C1 56.70(14) . . ?
C2 B3 B8 103.9(2) . . ?
C1 B3 B8 104.85(19) . . ?
C2 B3 B4 103.4(2) . . ?
C1 B3 B4 58.14(14) . . ?
B8 B3 B4 60.53(16) . . ?
C2 B3 B7 57.79(16) . . ?
C1 B3 B7 104.1(2) . . ?
B8 B3 B7 60.32(16) . . ?
B4 B3 B7 108.1(2) . . ?
C2 B3 H3 125.6 . . ?
C1 B3 H3 124.8 . . ?
B8 B3 H3 122.7 . . ?
B4 B3 H3 122.4 . . ?
B7 B3 H3 122.3 . . ?
C1 B4 B9 104.82(19) . . ?
C1 B4 B3 59.87(14) . . ?
B9 B4 B3 107.45(19) . . ?
C1 B4 B5 58.62(14) . . ?
B9 B4 B5 60.04(16) . . ?
B3 B4 B5 108.59(19) . . ?
C1 B4 B8 105.25(18) . . ?
B9 B4 B8 59.81(16) . . ?
B3 B4 B8 59.33(15) . . ?
B5 B4 B8 108.1(2) . . ?
C1 B4 H4 124.2 . . ?
B9 B4 H4 122.7 . . ?
B3 B4 H4 121.3 . . ?
B5 B4 H4 121.3 . . ?
B8 B4 H4 122.5 . . ?
C1 B5 B10 104.8(2) . . ?
C1 B5 B9 104.6(2) . . ?
B10 B5 B9 60.10(17) . . ?
C1 B5 B6 59.26(15) . . ?
B10 B5 B6 59.79(16) . . ?
B9 B5 B6 108.1(2) . . ?
C1 B5 B4 58.61(14) . . ?
B10 B5 B4 107.9(2) . . ?
B9 B5 B4 59.75(16) . . ?
B6 B5 B4 108.3(2) . . ?
C1 B5 H5 124.6 . . ?
B10 B5 H5 122.4 . . ?
B9 B5 H5 122.5 . . ?
B6 B5 H5 121.2 . . ?
B4 B5 H5 121.5 . . ?
C2 B6 C1 57.07(14) . . ?
C2 B6 B10 103.0(2) . . ?
C1 B6 B10 104.2(2) . . ?
C2 B6 B5 103.6(2) . . ?
C1 B6 B5 58.36(14) . . ?
B10 B6 B5 59.88(16) . . ?
C2 B6 B11 57.67(18) . . ?
C1 B6 B11 104.3(2) . . ?
B10 B6 B11 59.79(18) . . ?
B5 B6 B11 107.6(2) . . ?
C2 B6 H6 125.7 . . ?
C1 B6 H6 124.6 . . ?
B10 B6 H6 123.5 . . ?
B5 B6 H6 122.5 . . ?
B11 B6 H6 122.4 . . ?
C2 B7 B12 104.6(2) . . ?
C2 B7 B11 58.35(18) . . ?
B12 B7 B11 60.49(19) . . ?
C2 B7 B3 59.34(16) . . ?
B12 B7 B3 108.2(2) . . ?
B11 B7 B3 108.7(2) . . ?
C2 B7 B8 104.4(2) . . ?
B12 B7 B8 60.31(18) . . ?
B11 B7 B8 108.6(2) . . ?
B3 B7 B8 59.43(16) . . ?
C2 B7 H7 125.0 . . ?
B12 B7 H7 122.2 . . ?
B11 B7 H7 121.0 . . ?
B3 B7 H7 121.2 . . ?
B8 B7 H7 122.5 . . ?
B3 B8 B9 108.1(2) . . ?
B3 B8 B7 60.25(16) . . ?
B9 B8 B7 107.3(2) . . ?
B3 B8 B12 108.2(2) . . ?
B9 B8 B12 59.96(18) . . ?
B7 B8 B12 59.48(18) . . ?
B3 B8 B4 60.14(15) . . ?
B9 B8 B4 59.79(16) . . ?
B7 B8 B4 107.70(19) . . ?
B12 B8 B4 107.8(2) . . ?
B3 B8 H8 121.3 . . ?
B9 B8 H8 122.0 . . ?
B7 B8 H8 122.1 . . ?
B12 B8 H8 121.8 . . ?
B4 B8 H8 121.8 . . ?
B4 B9 B8 60.41(16) . . ?
B4 B9 B12 108.5(2) . . ?
B8 B9 B12 60.21(18) . . ?
B4 B9 B10 107.97(19) . . ?
B8 B9 B10 108.3(2) . . ?
B12 B9 B10 60.13(19) . . ?
B4 B9 B5 60.21(15) . . ?
B8 B9 B5 108.66(19) . . ?
B12 B9 B5 108.3(2) . . ?
B10 B9 B5 59.76(17) . . ?
B4 B9 H9 121.5 . . ?
B8 B9 H9 121.3 . . ?
B12 B9 H9 121.4 . . ?
B10 B9 H9 121.9 . . ?
B5 B9 H9 121.5 . . ?
B6 B10 B11 60.44(18) . . ?
B6 B10 B5 60.33(16) . . ?
B11 B10 B5 108.5(2) . . ?
B6 B10 B9 108.5(2) . . ?
B11 B10 B9 108.0(2) . . ?
B5 B10 B9 60.13(16) . . ?
B6 B10 B12 108.9(2) . . ?
B11 B10 B12 60.15(19) . . ?
B5 B10 B12 108.4(2) . . ?
B9 B10 B12 59.88(18) . . ?
B6 B10 H10 121.1 . . ?
B11 B10 H10 121.6 . . ?
B5 B10 H10 121.4 . . ?
B9 B10 H10 121.8 . . ?
B12 B10 H10 121.4 . . ?
C2 B11 B7 58.54(18) . . ?
C2 B11 B10 104.1(2) . . ?
B7 B11 B10 107.9(2) . . ?
C2 B11 B12 104.1(2) . . ?
B7 B11 B12 59.71(19) . . ?
B10 B11 B12 60.20(19) . . ?
C2 B11 B6 59.10(16) . . ?
B7 B11 B6 108.7(2) . . ?
B10 B11 B6 59.77(18) . . ?
B12 B11 B6 108.4(2) . . ?
C2 B11 H11 125.2 . . ?
B7 B11 H11 121.4 . . ?
B10 B11 H11 122.7 . . ?
B12 B11 H11 122.5 . . ?
B6 B11 H11 120.9 . . ?
B7 B12 B9 107.8(2) . . ?
B7 B12 B11 59.8(2) . . ?
B9 B12 B11 107.7(2) . . ?
B7 B12 B10 107.5(2) . . ?
B9 B12 B10 59.99(18) . . ?
B11 B12 B10 59.6(2) . . ?
B7 B12 B8 60.21(18) . . ?
B9 B12 B8 59.83(17) . . ?
B11 B12 B8 108.0(2) . . ?
B10 B12 B8 107.9(2) . . ?
B7 B12 H12 121.9 . . ?
B9 B12 H12 121.9 . . ?
B11 B12 H12 121.9 . . ?
B10 B12 H12 122.0 . . ?
B8 B12 H12 121.6 . . ?
C12 B13 C11 56.89(13) . . ?
C12 B13 B14 103.9(2) . . ?
C11 B13 B14 58.80(15) . . ?
C12 B13 B18 104.0(2) . . ?
C11 B13 B18 105.0(2) . . ?
B14 B13 B18 59.95(16) . . ?
C12 B13 B17 57.81(15) . . ?
C11 B13 B17 104.3(2) . . ?
B14 B13 B17 107.6(2) . . ?
B18 B13 B17 60.17(17) . . ?
C12 B13 H13 125.4 . . ?
C11 B13 H13 124.4 . . ?
B14 B13 H13 122.4 . . ?
B18 B13 H13 122.9 . . ?
B17 B13 H13 122.5 . . ?
C11 B14 B19 105.23(19) . . ?
C11 B14 B13 58.94(14) . . ?
B19 B14 B13 108.59(19) . . ?
C11 B14 B18 105.28(18) . . ?
B19 B14 B18 60.49(17) . . ?
B13 B14 B18 60.12(16) . . ?
C11 B14 B15 58.67(15) . . ?
B19 B14 B15 60.26(17) . . ?
B13 B14 B15 108.28(19) . . ?
B18 B14 B15 108.6(2) . . ?
C11 B14 H14 124.5 . . ?
B19 B14 H14 121.9 . . ?
B13 B14 H14 121.3 . . ?
B18 B14 H14 121.9 . . ?
B15 B14 H14 121.3 . . ?
C11 B15 B14 58.86(15) . . ?
C11 B15 B19 105.0(2) . . ?
B14 B15 B19 59.73(17) . . ?
C11 B15 B20 104.73(19) . . ?
B14 B15 B20 107.9(2) . . ?
B19 B15 B20 60.39(17) . . ?
C11 B15 B16 59.15(14) . . ?
B14 B15 B16 108.3(2) . . ?
B19 B15 B16 108.19(19) . . ?
B20 B15 B16 59.50(16) . . ?
C11 B15 H15 124.5 . . ?
B14 B15 H15 121.5 . . ?
B19 B15 H15 122.2 . . ?
B20 B15 H15 122.5 . . ?
B16 B15 H15 121.3 . . ?
C12 B16 C11 56.82(13) . . ?
C12 B16 B21 58.01(16) . . ?
C11 B16 B21 104.2(2) . . ?
C12 B16 B20 103.8(2) . . ?
C11 B16 B20 104.5(2) . . ?
B21 B16 B20 59.95(17) . . ?
C12 B16 B15 103.53(19) . . ?
C11 B16 B15 58.23(15) . . ?
B21 B16 B15 107.6(2) . . ?
B20 B16 B15 60.09(16) . . ?
C12 B16 H16 125.4 . . ?
C11 B16 H16 124.8 . . ?
B21 B16 H16 122.4 . . ?
B20 B16 H16 123.1 . . ?
B15 B16 H16 122.5 . . ?
C12 B17 B21 58.38(16) . . ?
C12 B17 B22 104.5(2) . . ?
B21 B17 B22 60.40(18) . . ?
C12 B17 B13 59.07(15) . . ?
B21 B17 B13 108.4(2) . . ?
B22 B17 B13 107.9(2) . . ?
C12 B17 B18 104.70(19) . . ?
B21 B17 B18 108.5(2) . . ?
B22 B17 B18 60.00(18) . . ?
B13 B17 B18 59.82(16) . . ?
C12 B17 H17 124.9 . . ?
B21 B17 H17 121.1 . . ?
B22 B17 H17 122.4 . . ?
B13 B17 H17 121.3 . . ?
B18 B17 H17 122.3 . . ?
B14 B18 B13 59.94(16) . . ?
B14 B18 B22 107.4(2) . . ?
B13 B18 B22 107.9(2) . . ?
B14 B18 B17 107.44(19) . . ?
B13 B18 B17 60.01(16) . . ?
B22 B18 B17 59.80(18) . . ?
B14 B18 B19 59.68(17) . . ?
B13 B18 B19 107.8(2) . . ?
B22 B18 B19 59.73(18) . . ?
B17 B18 B19 107.4(2) . . ?
B14 B18 H18 122.1 . . ?
B13 B18 H18 121.6 . . ?
B22 B18 H18 122.0 . . ?
B17 B18 H18 122.0 . . ?
B19 B18 H18 122.0 . . ?
B14 B19 B22 107.7(2) . . ?
B14 B19 B15 60.00(16) . . ?
B22 B19 B15 107.8(2) . . ?
B14 B19 B18 59.84(17) . . ?
B22 B19 B18 59.97(18) . . ?
B15 B19 B18 107.9(2) . . ?
B14 B19 B20 107.7(2) . . ?
B22 B19 B20 59.89(17) . . ?
B15 B19 B20 59.82(17) . . ?
B18 B19 B20 107.8(2) . . ?
B14 B19 H19 121.9 . . ?
B22 B19 H19 121.9 . . ?
B15 B19 H19 121.8 . . ?
B18 B19 H19 121.8 . . ?
B20 B19 H19 121.9 . . ?
B21 B20 B16 60.02(16) . . ?
B21 B20 B22 60.24(18) . . ?
B16 B20 B22 108.4(2) . . ?
B21 B20 B15 107.9(2) . . ?
B16 B20 B15 60.41(16) . . ?
B22 B20 B15 107.5(2) . . ?
B21 B20 B19 107.8(2) . . ?
B16 B20 B19 108.4(2) . . ?
B22 B20 B19 59.60(17) . . ?
B15 B20 B19 59.79(17) . . ?
B21 B20 H20 121.7 . . ?
B16 B20 H20 121.2 . . ?
B22 B20 H20 121.8 . . ?
B15 B20 H20 121.9 . . ?
B19 B20 H20 121.9 . . ?
C12 B21 B17 58.56(16) . . ?
C12 B21 B20 104.62(19) . . ?
B17 B21 B20 108.5(2) . . ?
C12 B21 B16 59.05(15) . . ?
B17 B21 B16 108.7(2) . . ?
B20 B21 B16 60.04(17) . . ?
C12 B21 B22 104.4(2) . . ?
B17 B21 B22 60.10(18) . . ?
B20 B21 B22 60.20(18) . . ?
B16 B21 B22 108.4(2) . . ?
C12 B21 H21 125.0 . . ?
B17 B21 H21 121.1 . . ?
B20 B21 H21 122.3 . . ?
B16 B21 H21 121.0 . . ?
B22 B21 H21 122.3 . . ?
B19 B22 B17 108.2(2) . . ?
B19 B22 B18 60.30(18) . . ?
B17 B22 B18 60.21(18) . . ?
B19 B22 B20 60.51(18) . . ?
B17 B22 B20 107.4(2) . . ?
B18 B22 B20 108.6(2) . . ?
B19 B22 B21 108.0(2) . . ?
B17 B22 B21 59.49(18) . . ?
B18 B22 B21 107.9(2) . . ?
B20 B22 B21 59.56(18) . . ?
B19 B22 H22 121.3 . . ?
B17 B22 H22 122.0 . . ?
B18 B22 H22 121.3 . . ?
B20 B22 H22 121.7 . . ?
B21 B22 H22 122.1 . . ?
N1 C3 C1 114.33(19) . . ?
N1 C3 S1 130.05(17) . . ?
C1 C3 S1 115.62(15) . . ?
C9 C4 C5 121.38(19) . . ?
C9 C4 N1 111.44(19) . . ?
C5 C4 N1 127.09(19) . . ?
C4 C5 C6 116.57(19) . . ?
C4 C5 Rh1 121.68(15) . . ?
C6 C5 Rh1 121.41(15) . . ?
C7 C6 C5 120.4(2) . . ?
C7 C6 N2 111.23(18) . . ?
C5 C6 N2 128.41(19) . . ?
C8 C7 C6 121.7(2) . . ?
C8 C7 H7A 119.1 . . ?
C6 C7 H7A 119.1 . . ?
C9 C8 C7 118.7(2) . . ?
C9 C8 H8A 120.6 . . ?
C7 C8 H8A 120.6 . . ?
C8 C9 C4 121.1(2) . . ?
C8 C9 H9A 119.5 . . ?
C4 C9 H9A 119.5 . . ?
N2 C10 C11 115.96(18) . . ?
N2 C10 S2 131.62(17) . . ?
C11 C10 S2 112.40(15) . . ?
C10 C11 C12 116.14(18) . . ?
C10 C11 B15 122.63(18) . . ?
C12 C11 B15 110.20(18) . . ?
C10 C11 B14 124.14(18) . . ?
C12 C11 B14 110.15(17) . . ?
B15 C11 B14 62.46(16) . . ?
C10 C11 B13 116.73(19) . . ?
C12 C11 B13 61.42(15) . . ?
B15 C11 B13 114.14(19) . . ?
B14 C11 B13 62.26(15) . . ?
C10 C11 B16 114.79(18) . . ?
C12 C11 B16 60.88(15) . . ?
B15 C11 B16 62.62(16) . . ?
B14 C11 B16 114.10(19) . . ?
B13 C11 B16 114.34(18) . . ?
C11 C12 B21 112.5(2) . . ?
C11 C12 B17 112.39(18) . . ?
B21 C12 B17 63.06(18) . . ?
C11 C12 B16 62.30(15) . . ?
B21 C12 B16 62.94(17) . . ?
B17 C12 B16 115.7(2) . . ?
C11 C12 B13 61.69(14) . . ?
B21 C12 B13 115.6(2) . . ?
B17 C12 B13 63.12(16) . . ?
B16 C12 B13 115.77(19) . . ?
C11 C12 H12A 114.7(14) . . ?
B21 C12 H12A 123.0(14) . . ?
B17 C12 H12A 121.5(14) . . ?
B16 C12 H12A 116.0(14) . . ?
B13 C12 H12A 114.0(14) . . ?
N3 C13 Rh1 173.5(2) . . ?
N3 C14 C15 107.6(2) . . ?
N3 C14 C16 106.3(2) . . ?
C15 C14 C16 111.6(3) . . ?
N3 C14 C17 108.2(2) . . ?
C15 C14 C17 110.7(3) . . ?
C16 C14 C17 112.1(3) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 N3 C14 170.8(2) . . ?
N4 C18 Rh1 171.6(2) . . ?
N4 C19 C22 107.3(2) . . ?
N4 C19 C20 107.8(2) . . ?
C22 C19 C20 111.3(3) . . ?
N4 C19 C21 107.6(2) . . ?
C22 C19 C21 111.8(3) . . ?
C20 C19 C21 110.8(3) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 N4 C19 171.4(2) . . ?
N5 C23 Rh1 172.6(2) . . ?
N5 C24 C27 107.6(2) . . ?
N5 C24 C26 107.0(2) . . ?
C27 C24 C26 111.4(2) . . ?
N5 C24 C25 106.6(2) . . ?
C27 C24 C25 111.8(2) . . ?
C26 C24 C25 112.2(2) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 N5 C24 173.9(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C1 C2 B11 -145.8(2) . . . . ?
B4 C1 C2 B11 68.5(3) . . . . ?
B5 C1 C2 B11 1.2(3) . . . . ?
B6 C1 C2 B11 -39.0(2) . . . . ?
B3 C1 C2 B11 108.0(2) . . . . ?
C3 C1 C2 B7 145.1(2) . . . . ?
B4 C1 C2 B7 -0.6(3) . . . . ?
B5 C1 C2 B7 -67.9(3) . . . . ?
B6 C1 C2 B7 -108.2(2) . . . . ?
B3 C1 C2 B7 38.9(2) . . . . ?
C3 C1 C2 B6 -106.7(2) . . . . ?
B4 C1 C2 B6 107.5(2) . . . . ?
B5 C1 C2 B6 40.29(19) . . . . ?
B3 C1 C2 B6 147.07(19) . . . . ?
C3 C1 C2 B3 106.2(2) . . . . ?
B4 C1 C2 B3 -39.54(19) . . . . ?
B5 C1 C2 B3 -106.8(2) . . . . ?
B6 C1 C2 B3 -147.07(19) . . . . ?
B11 C2 B3 C1 -103.4(2) . . . . ?
B7 C2 B3 C1 -139.4(2) . . . . ?
B6 C2 B3 C1 -32.21(19) . . . . ?
C1 C2 B3 B8 98.80(19) . . . . ?
B11 C2 B3 B8 -4.6(3) . . . . ?
B7 C2 B3 B8 -40.60(19) . . . . ?
B6 C2 B3 B8 66.6(2) . . . . ?
C1 C2 B3 B4 36.32(16) . . . . ?
B11 C2 B3 B4 -67.1(3) . . . . ?
B7 C2 B3 B4 -103.1(2) . . . . ?
B6 C2 B3 B4 4.1(3) . . . . ?
C1 C2 B3 B7 139.4(2) . . . . ?
B11 C2 B3 B7 36.0(2) . . . . ?
B6 C2 B3 B7 107.2(2) . . . . ?
C3 C1 B3 C2 -106.9(2) . . . . ?
B4 C1 B3 C2 137.29(19) . . . . ?
B5 C1 B3 C2 100.4(2) . . . . ?
B6 C1 B3 C2 31.39(18) . . . . ?
C3 C1 B3 B8 155.98(19) . . . . ?
C2 C1 B3 B8 -97.1(2) . . . . ?
B4 C1 B3 B8 40.18(18) . . . . ?
B5 C1 B3 B8 3.3(3) . . . . ?
B6 C1 B3 B8 -65.7(2) . . . . ?
C3 C1 B3 B4 115.8(2) . . . . ?
C2 C1 B3 B4 -137.29(19) . . . . ?
B5 C1 B3 B4 -36.92(19) . . . . ?
B6 C1 B3 B4 -105.9(2) . . . . ?
C3 C1 B3 B7 -141.50(19) . . . . ?
C2 C1 B3 B7 -34.59(17) . . . . ?
B4 C1 B3 B7 102.7(2) . . . . ?
B5 C1 B3 B7 65.8(2) . . . . ?
B6 C1 B3 B7 -3.2(2) . . . . ?
C3 C1 B4 B9 154.5(2) . . . . ?
C2 C1 B4 B9 -62.8(2) . . . . ?
B5 C1 B4 B9 39.96(18) . . . . ?
B6 C1 B4 B9 3.6(3) . . . . ?
B3 C1 B4 B9 -101.8(2) . . . . ?
C3 C1 B4 B3 -103.7(2) . . . . ?
C2 C1 B4 B3 39.07(19) . . . . ?
B5 C1 B4 B3 141.8(2) . . . . ?
B6 C1 B4 B3 105.4(2) . . . . ?
C3 C1 B4 B5 114.5(2) . . . . ?
C2 C1 B4 B5 -102.7(2) . . . . ?
B6 C1 B4 B5 -36.4(2) . . . . ?
B3 C1 B4 B5 -141.8(2) . . . . ?
C3 C1 B4 B8 -143.3(2) . . . . ?
C2 C1 B4 B8 -0.6(3) . . . . ?
B5 C1 B4 B8 102.1(2) . . . . ?
B6 C1 B4 B8 65.7(2) . . . . ?
B3 C1 B4 B8 -39.68(18) . . . . ?
C2 B3 B4 C1 -35.65(16) . . . . ?
B8 B3 B4 C1 -134.3(2) . . . . ?
B7 B3 B4 C1 -95.7(2) . . . . ?
C2 B3 B4 B9 61.7(2) . . . . ?
C1 B3 B4 B9 97.3(2) . . . . ?
B8 B3 B4 B9 -36.9(2) . . . . ?
B7 B3 B4 B9 1.6(3) . . . . ?
C2 B3 B4 B5 -1.8(2) . . . . ?
C1 B3 B4 B5 33.85(17) . . . . ?
B8 B3 B4 B5 -100.4(2) . . . . ?
B7 B3 B4 B5 -61.9(2) . . . . ?
C2 B3 B4 B8 98.6(2) . . . . ?
C1 B3 B4 B8 134.3(2) . . . . ?
B7 B3 B4 B8 38.5(2) . . . . ?
C3 C1 B5 B10 144.4(2) . . . . ?
C2 C1 B5 B10 0.6(3) . . . . ?
B4 C1 B5 B10 -102.1(2) . . . . ?
B6 C1 B5 B10 40.2(2) . . . . ?
B3 C1 B5 B10 -65.5(2) . . . . ?
C3 C1 B5 B9 -153.2(2) . . . . ?
C2 C1 B5 B9 62.9(2) . . . . ?
B4 C1 B5 B9 -39.77(18) . . . . ?
B6 C1 B5 B9 102.6(2) . . . . ?
B3 C1 B5 B9 -3.2(3) . . . . ?
C3 C1 B5 B6 104.1(2) . . . . ?
C2 C1 B5 B6 -39.69(19) . . . . ?
B4 C1 B5 B6 -142.4(2) . . . . ?
B3 C1 B5 B6 -105.8(2) . . . . ?
C3 C1 B5 B4 -113.5(2) . . . . ?
C2 C1 B5 B4 102.7(2) . . . . ?
B6 C1 B5 B4 142.4(2) . . . . ?
B3 C1 B5 B4 36.61(19) . . . . ?
B9 B4 B5 C1 -134.2(2) . . . . ?
B3 B4 B5 C1 -34.35(17) . . . . ?
B8 B4 B5 C1 -97.19(19) . . . . ?
C1 B4 B5 B10 96.8(2) . . . . ?
B9 B4 B5 B10 -37.41(19) . . . . ?
B3 B4 B5 B10 62.5(2) . . . . ?
B8 B4 B5 B10 -0.4(2) . . . . ?
C1 B4 B5 B9 134.2(2) . . . . ?
B3 B4 B5 B9 99.9(2) . . . . ?
B8 B4 B5 B9 37.03(18) . . . . ?
C1 B4 B5 B6 33.55(17) . . . . ?
B9 B4 B5 B6 -100.7(2) . . . . ?
B3 B4 B5 B6 -0.8(2) . . . . ?
B8 B4 B5 B6 -63.6(2) . . . . ?
B11 C2 B6 C1 139.4(2) . . . . ?
B7 C2 B6 C1 103.2(2) . . . . ?
B3 C2 B6 C1 32.37(18) . . . . ?
C1 C2 B6 B10 -98.7(2) . . . . ?
B11 C2 B6 B10 40.7(2) . . . . ?
B7 C2 B6 B10 4.6(3) . . . . ?
B3 C2 B6 B10 -66.3(2) . . . . ?
C1 C2 B6 B5 -36.96(16) . . . . ?
B11 C2 B6 B5 102.4(2) . . . . ?
B7 C2 B6 B5 66.3(3) . . . . ?
B3 C2 B6 B5 -4.6(3) . . . . ?
C1 C2 B6 B11 -139.4(2) . . . . ?
B7 C2 B6 B11 -36.2(2) . . . . ?
B3 C2 B6 B11 -107.0(2) . . . . ?
C3 C1 B6 C2 106.8(2) . . . . ?
B4 C1 B6 C2 -100.1(2) . . . . ?
B5 C1 B6 C2 -136.65(19) . . . . ?
B3 C1 B6 C2 -31.35(18) . . . . ?
C3 C1 B6 B10 -156.8(2) . . . . ?
C2 C1 B6 B10 96.5(2) . . . . ?
B4 C1 B6 B10 -3.6(3) . . . . ?
B5 C1 B6 B10 -40.2(2) . . . . ?
B3 C1 B6 B10 65.1(3) . . . . ?
C3 C1 B6 B5 -116.6(2) . . . . ?
C2 C1 B6 B5 136.65(19) . . . . ?
B4 C1 B6 B5 36.6(2) . . . . ?
B3 C1 B6 B5 105.3(2) . . . . ?
C3 C1 B6 B11 141.3(2) . . . . ?
C2 C1 B6 B11 34.60(18) . . . . ?
B4 C1 B6 B11 -65.5(2) . . . . ?
B5 C1 B6 B11 -102.1(2) . . . . ?
B3 C1 B6 B11 3.2(3) . . . . ?
C1 B5 B6 C2 36.35(16) . . . . ?
B10 B5 B6 C2 -97.4(2) . . . . ?
B9 B5 B6 C2 -60.2(2) . . . . ?
B4 B5 B6 C2 3.1(2) . . . . ?
B10 B5 B6 C1 -133.7(2) . . . . ?
B9 B5 B6 C1 -96.5(2) . . . . ?
B4 B5 B6 C1 -33.29(17) . . . . ?
C1 B5 B6 B10 133.7(2) . . . . ?
B9 B5 B6 B10 37.2(2) . . . . ?
B4 B5 B6 B10 100.4(2) . . . . ?
C1 B5 B6 B11 96.3(2) . . . . ?
B10 B5 B6 B11 -37.4(2) . . . . ?
B9 B5 B6 B11 -0.2(3) . . . . ?
B4 B5 B6 B11 63.0(3) . . . . ?
C1 C2 B7 B12 64.1(3) . . . . ?
B11 C2 B7 B12 -40.7(2) . . . . ?
B6 C2 B7 B12 -4.5(3) . . . . ?
B3 C2 B7 B12 102.8(2) . . . . ?
C1 C2 B7 B11 104.8(2) . . . . ?
B6 C2 B7 B11 36.2(2) . . . . ?
B3 C2 B7 B11 143.5(2) . . . . ?
C1 C2 B7 B3 -38.7(2) . . . . ?
B11 C2 B7 B3 -143.5(2) . . . . ?
B6 C2 B7 B3 -107.3(2) . . . . ?
C1 C2 B7 B8 1.6(3) . . . . ?
B11 C2 B7 B8 -103.2(2) . . . . ?
B6 C2 B7 B8 -67.0(3) . . . . ?
B3 C2 B7 B8 40.3(2) . . . . ?
C1 B3 B7 C2 34.11(17) . . . . ?
B8 B3 B7 C2 133.4(2) . . . . ?
B4 B3 B7 C2 94.7(2) . . . . ?
C2 B3 B7 B12 -96.5(3) . . . . ?
C1 B3 B7 B12 -62.4(3) . . . . ?
B8 B3 B7 B12 36.9(2) . . . . ?
B4 B3 B7 B12 -1.7(3) . . . . ?
C2 B3 B7 B11 -32.32(19) . . . . ?
C1 B3 B7 B11 1.8(3) . . . . ?
B8 B3 B7 B11 101.0(2) . . . . ?
B4 B3 B7 B11 62.4(3) . . . . ?
C2 B3 B7 B8 -133.4(2) . . . . ?
C1 B3 B7 B8 -99.2(2) . . . . ?
B4 B3 B7 B8 -38.6(2) . . . . ?
C2 B3 B8 B9 -60.6(2) . . . . ?
C1 B3 B8 B9 -1.9(3) . . . . ?
B4 B3 B8 B9 37.1(2) . . . . ?
B7 B3 B8 B9 -100.0(2) . . . . ?
C2 B3 B8 B7 39.3(2) . . . . ?
C1 B3 B8 B7 98.0(2) . . . . ?
B4 B3 B8 B7 137.0(2) . . . . ?
C2 B3 B8 B12 2.8(3) . . . . ?
C1 B3 B8 B12 61.5(2) . . . . ?
B4 B3 B8 B12 100.5(2) . . . . ?
B7 B3 B8 B12 -36.5(2) . . . . ?
C2 B3 B8 B4 -97.7(2) . . . . ?
C1 B3 B8 B4 -39.01(17) . . . . ?
B7 B3 B8 B4 -137.0(2) . . . . ?
C2 B7 B8 B3 -40.2(2) . . . . ?
B12 B7 B8 B3 -139.0(2) . . . . ?
B11 B7 B8 B3 -101.2(2) . . . . ?
C2 B7 B8 B9 61.1(3) . . . . ?
B12 B7 B8 B9 -37.6(2) . . . . ?
B11 B7 B8 B9 0.1(3) . . . . ?
B3 B7 B8 B9 101.3(2) . . . . ?
C2 B7 B8 B12 98.7(3) . . . . ?
B11 B7 B8 B12 37.8(2) . . . . ?
B3 B7 B8 B12 139.0(2) . . . . ?
C2 B7 B8 B4 -1.9(3) . . . . ?
B12 B7 B8 B4 -100.6(2) . . . . ?
B11 B7 B8 B4 -62.9(3) . . . . ?
B3 B7 B8 B4 38.3(2) . . . . ?
C1 B4 B8 B3 39.95(18) . . . . ?
B9 B4 B8 B3 138.5(2) . . . . ?
B5 B4 B8 B3 101.3(2) . . . . ?
C1 B4 B8 B9 -98.5(2) . . . . ?
B3 B4 B8 B9 -138.5(2) . . . . ?
B5 B4 B8 B9 -37.13(18) . . . . ?
C1 B4 B8 B7 1.6(3) . . . . ?
B9 B4 B8 B7 100.1(2) . . . . ?
B3 B4 B8 B7 -38.4(2) . . . . ?
B5 B4 B8 B7 62.9(3) . . . . ?
C1 B4 B8 B12 -61.2(2) . . . . ?
B9 B4 B8 B12 37.28(19) . . . . ?
B3 B4 B8 B12 -101.2(2) . . . . ?
B5 B4 B8 B12 0.2(2) . . . . ?
C1 B4 B9 B8 99.3(2) . . . . ?
B3 B4 B9 B8 36.72(19) . . . . ?
B5 B4 B9 B8 138.5(2) . . . . ?
C1 B4 B9 B12 61.7(2) . . . . ?
B3 B4 B9 B12 -0.9(3) . . . . ?
B5 B4 B9 B12 100.9(2) . . . . ?
B8 B4 B9 B12 -37.6(2) . . . . ?
C1 B4 B9 B10 -2.0(3) . . . . ?
B3 B4 B9 B10 -64.5(3) . . . . ?
B5 B4 B9 B10 37.3(2) . . . . ?
B8 B4 B9 B10 -101.2(2) . . . . ?
C1 B4 B9 B5 -39.26(17) . . . . ?
B3 B4 B9 B5 -101.8(2) . . . . ?
B8 B4 B9 B5 -138.5(2) . . . . ?
B3 B8 B9 B4 -37.23(19) . . . . ?
B7 B8 B9 B4 -100.8(2) . . . . ?
B12 B8 B9 B4 -138.2(2) . . . . ?
B3 B8 B9 B12 101.0(2) . . . . ?
B7 B8 B9 B12 37.42(19) . . . . ?
B4 B8 B9 B12 138.2(2) . . . . ?
B3 B8 B9 B10 63.5(3) . . . . ?
B7 B8 B9 B10 -0.1(3) . . . . ?
B12 B8 B9 B10 -37.50(19) . . . . ?
B4 B8 B9 B10 100.7(2) . . . . ?
B3 B8 B9 B5 0.1(3) . . . . ?
B7 B8 B9 B5 -63.4(3) . . . . ?
B12 B8 B9 B5 -100.9(2) . . . . ?
B4 B8 B9 B5 37.35(19) . . . . ?
C1 B5 B9 B4 39.21(17) . . . . ?
B10 B5 B9 B4 138.2(2) . . . . ?
B6 B5 B9 B4 101.1(2) . . . . ?
C1 B5 B9 B8 1.8(3) . . . . ?
B10 B5 B9 B8 100.7(2) . . . . ?
B6 B5 B9 B8 63.7(3) . . . . ?
B4 B5 B9 B8 -37.44(19) . . . . ?
C1 B5 B9 B12 -62.1(3) . . . . ?
B10 B5 B9 B12 36.9(2) . . . . ?
B6 B5 B9 B12 -0.2(3) . . . . ?
B4 B5 B9 B12 -101.3(2) . . . . ?
C1 B5 B9 B10 -99.0(2) . . . . ?
B6 B5 B9 B10 -37.0(2) . . . . ?
B4 B5 B9 B10 -138.2(2) . . . . ?
C2 B6 B10 B11 -39.6(2) . . . . ?
C1 B6 B10 B11 -98.5(2) . . . . ?
B5 B6 B10 B11 -137.9(2) . . . . ?
C2 B6 B10 B5 98.3(2) . . . . ?
C1 B6 B10 B5 39.40(19) . . . . ?
B11 B6 B10 B5 137.9(2) . . . . ?
C2 B6 B10 B9 61.0(3) . . . . ?
C1 B6 B10 B9 2.1(3) . . . . ?
B5 B6 B10 B9 -37.3(2) . . . . ?
B11 B6 B10 B9 100.6(3) . . . . ?
C2 B6 B10 B12 -2.6(3) . . . . ?
C1 B6 B10 B12 -61.5(3) . . . . ?
B5 B6 B10 B12 -100.9(2) . . . . ?
B11 B6 B10 B12 37.0(2) . . . . ?
C1 B5 B10 B6 -39.98(19) . . . . ?
B9 B5 B10 B6 -138.5(2) . . . . ?
B4 B5 B10 B6 -101.2(2) . . . . ?
C1 B5 B10 B11 -2.0(3) . . . . ?
B9 B5 B10 B11 -100.6(3) . . . . ?
B6 B5 B10 B11 37.9(2) . . . . ?
B4 B5 B10 B11 -63.3(3) . . . . ?
C1 B5 B10 B9 98.5(2) . . . . ?
B6 B5 B10 B9 138.5(2) . . . . ?
B4 B5 B10 B9 37.25(19) . . . . ?
C1 B5 B10 B12 61.7(2) . . . . ?
B9 B5 B10 B12 -36.8(2) . . . . ?
B6 B5 B10 B12 101.7(2) . . . . ?
B4 B5 B10 B12 0.5(3) . . . . ?
B4 B9 B10 B6 -0.1(3) . . . . ?
B8 B9 B10 B6 -64.0(3) . . . . ?
B12 B9 B10 B6 -101.5(3) . . . . ?
B5 B9 B10 B6 37.4(2) . . . . ?
B4 B9 B10 B11 63.9(3) . . . . ?
B8 B9 B10 B11 0.0(3) . . . . ?
B12 B9 B10 B11 -37.5(2) . . . . ?
B5 B9 B10 B11 101.4(2) . . . . ?
B4 B9 B10 B5 -37.5(2) . . . . ?
B8 B9 B10 B5 -101.4(2) . . . . ?
B12 B9 B10 B5 -138.9(2) . . . . ?
B4 B9 B10 B12 101.5(2) . . . . ?
B8 B9 B10 B12 37.54(19) . . . . ?
B5 B9 B10 B12 138.9(2) . . . . ?
C1 C2 B11 B7 -105.0(2) . . . . ?
B6 C2 B11 B7 -143.5(2) . . . . ?
B3 C2 B11 B7 -35.9(2) . . . . ?
C1 C2 B11 B10 -2.5(3) . . . . ?
B7 C2 B11 B10 102.5(2) . . . . ?
B6 C2 B11 B10 -40.9(2) . . . . ?
B3 C2 B11 B10 66.6(3) . . . . ?
C1 C2 B11 B12 -64.7(3) . . . . ?
B7 C2 B11 B12 40.2(2) . . . . ?
B6 C2 B11 B12 -103.2(2) . . . . ?
B3 C2 B11 B12 4.3(3) . . . . ?
C1 C2 B11 B6 38.5(2) . . . . ?
B7 C2 B11 B6 143.5(2) . . . . ?
B3 C2 B11 B6 107.5(2) . . . . ?
B12 B7 B11 C2 133.5(2) . . . . ?
B3 B7 B11 C2 32.70(19) . . . . ?
B8 B7 B11 C2 95.8(2) . . . . ?
C2 B7 B11 B10 -95.9(2) . . . . ?
B12 B7 B11 B10 37.6(2) . . . . ?
B3 B7 B11 B10 -63.2(3) . . . . ?
B8 B7 B11 B10 -0.1(3) . . . . ?
C2 B7 B11 B12 -133.5(2) . . . . ?
B3 B7 B11 B12 -100.8(2) . . . . ?
B8 B7 B11 B12 -37.7(2) . . . . ?
C2 B7 B11 B6 -32.64(19) . . . . ?
B12 B7 B11 B6 100.8(2) . . . . ?
B3 B7 B11 B6 0.1(3) . . . . ?
B8 B7 B11 B6 63.2(3) . . . . ?
B6 B10 B11 C2 40.6(2) . . . . ?
B5 B10 B11 C2 2.7(3) . . . . ?
B9 B10 B11 C2 -60.9(3) . . . . ?
B12 B10 B11 C2 -98.4(2) . . . . ?
B6 B10 B11 B7 101.6(2) . . . . ?
B5 B10 B11 B7 63.7(3) . . . . ?
B9 B10 B11 B7 0.1(3) . . . . ?
B12 B10 B11 B7 -37.3(2) . . . . ?
B6 B10 B11 B12 139.0(2) . . . . ?
B5 B10 B11 B12 101.1(2) . . . . ?
B9 B10 B11 B12 37.4(2) . . . . ?
B5 B10 B11 B6 -37.9(2) . . . . ?
B9 B10 B11 B6 -101.5(2) . . . . ?
B12 B10 B11 B6 -139.0(2) . . . . ?
C1 B6 B11 C2 -34.33(17) . . . . ?
B10 B6 B11 C2 -132.7(2) . . . . ?
B5 B6 B11 C2 -95.2(2) . . . . ?
C2 B6 B11 B7 32.42(19) . . . . ?
C1 B6 B11 B7 -1.9(3) . . . . ?
B10 B6 B11 B7 -100.2(2) . . . . ?
B5 B6 B11 B7 -62.8(3) . . . . ?
C2 B6 B11 B10 132.7(2) . . . . ?
C1 B6 B11 B10 98.3(2) . . . . ?
B5 B6 B11 B10 37.5(2) . . . . ?
C2 B6 B11 B12 95.8(3) . . . . ?
C1 B6 B11 B12 61.4(3) . . . . ?
B10 B6 B11 B12 -36.9(2) . . . . ?
B5 B6 B11 B12 0.6(3) . . . . ?
C2 B7 B12 B9 -60.8(3) . . . . ?
B11 B7 B12 B9 -100.5(2) . . . . ?
B3 B7 B12 B9 1.2(3) . . . . ?
B8 B7 B12 B9 37.7(2) . . . . ?
C2 B7 B12 B11 39.7(2) . . . . ?
B3 B7 B12 B11 101.7(2) . . . . ?
B8 B7 B12 B11 138.2(2) . . . . ?
C2 B7 B12 B10 2.4(3) . . . . ?
B11 B7 B12 B10 -37.2(2) . . . . ?
B3 B7 B12 B10 64.5(3) . . . . ?
B8 B7 B12 B10 101.0(2) . . . . ?
C2 B7 B12 B8 -98.5(2) . . . . ?
B11 B7 B12 B8 -138.2(2) . . . . ?
B3 B7 B12 B8 -36.5(2) . . . . ?
B4 B9 B12 B7 -0.2(3) . . . . ?
B8 B9 B12 B7 -37.9(2) . . . . ?
B10 B9 B12 B7 100.3(2) . . . . ?
B5 B9 B12 B7 63.6(3) . . . . ?
B4 B9 B12 B11 -63.3(3) . . . . ?
B8 B9 B12 B11 -101.0(2) . . . . ?
B10 B9 B12 B11 37.2(2) . . . . ?
B5 B9 B12 B11 0.5(3) . . . . ?
B4 B9 B12 B10 -100.5(2) . . . . ?
B8 B9 B12 B10 -138.2(2) . . . . ?
B5 B9 B12 B10 -36.7(2) . . . . ?
B4 B9 B12 B8 37.66(19) . . . . ?
B10 B9 B12 B8 138.2(2) . . . . ?
B5 B9 B12 B8 101.5(2) . . . . ?
C2 B11 B12 B7 -39.7(2) . . . . ?
B10 B11 B12 B7 -138.0(2) . . . . ?
B6 B11 B12 B7 -101.3(2) . . . . ?
C2 B11 B12 B9 61.0(3) . . . . ?
B7 B11 B12 B9 100.7(2) . . . . ?
B10 B11 B12 B9 -37.4(2) . . . . ?
B6 B11 B12 B9 -0.7(3) . . . . ?
C2 B11 B12 B10 98.4(2) . . . . ?
B7 B11 B12 B10 138.0(2) . . . . ?
B6 B11 B12 B10 36.7(2) . . . . ?
C2 B11 B12 B8 -2.2(3) . . . . ?
B7 B11 B12 B8 37.5(2) . . . . ?
B10 B11 B12 B8 -100.6(2) . . . . ?
B6 B11 B12 B8 -63.9(3) . . . . ?
B6 B10 B12 B7 0.2(3) . . . . ?
B11 B10 B12 B7 37.3(2) . . . . ?
B5 B10 B12 B7 -63.9(3) . . . . ?
B9 B10 B12 B7 -100.8(2) . . . . ?
B6 B10 B12 B9 100.9(2) . . . . ?
B11 B10 B12 B9 138.1(2) . . . . ?
B5 B10 B12 B9 36.90(19) . . . . ?
B6 B10 B12 B11 -37.1(2) . . . . ?
B5 B10 B12 B11 -101.2(2) . . . . ?
B9 B10 B12 B11 -138.1(2) . . . . ?
B6 B10 B12 B8 63.7(3) . . . . ?
B11 B10 B12 B8 100.8(2) . . . . ?
B5 B10 B12 B8 -0.4(3) . . . . ?
B9 B10 B12 B8 -37.26(19) . . . . ?
B3 B8 B12 B7 36.9(2) . . . . ?
B9 B8 B12 B7 137.7(2) . . . . ?
B4 B8 B12 B7 100.5(2) . . . . ?
B3 B8 B12 B9 -100.8(2) . . . . ?
B7 B8 B12 B9 -137.7(2) . . . . ?
B4 B8 B12 B9 -37.21(18) . . . . ?
B3 B8 B12 B11 -0.4(3) . . . . ?
B9 B8 B12 B11 100.4(2) . . . . ?
B7 B8 B12 B11 -37.3(2) . . . . ?
B4 B8 B12 B11 63.2(3) . . . . ?
B3 B8 B12 B10 -63.5(3) . . . . ?
B9 B8 B12 B10 37.3(2) . . . . ?
B7 B8 B12 B10 -100.3(2) . . . . ?
B4 B8 B12 B10 0.1(3) . . . . ?
C12 B13 B14 C11 -36.15(16) . . . . ?
B18 B13 B14 C11 -134.5(2) . . . . ?
B17 B13 B14 C11 -96.3(2) . . . . ?
C12 B13 B14 B19 60.8(2) . . . . ?
C11 B13 B14 B19 96.9(2) . . . . ?
B18 B13 B14 B19 -37.6(2) . . . . ?
B17 B13 B14 B19 0.6(3) . . . . ?
C12 B13 B14 B18 98.3(2) . . . . ?
C11 B13 B14 B18 134.5(2) . . . . ?
B17 B13 B14 B18 38.2(2) . . . . ?
C12 B13 B14 B15 -3.1(2) . . . . ?
C11 B13 B14 B15 33.05(17) . . . . ?
B18 B13 B14 B15 -101.4(2) . . . . ?
B17 B13 B14 B15 -63.3(2) . . . . ?
B19 B14 B15 C11 -134.58(19) . . . . ?
B13 B14 B15 C11 -33.16(17) . . . . ?
B18 B14 B15 C11 -96.9(2) . . . . ?
C11 B14 B15 B19 134.58(19) . . . . ?
B13 B14 B15 B19 101.4(2) . . . . ?
B18 B14 B15 B19 37.68(19) . . . . ?
C11 B14 B15 B20 96.7(2) . . . . ?
B19 B14 B15 B20 -37.85(19) . . . . ?
B13 B14 B15 B20 63.6(2) . . . . ?
B18 B14 B15 B20 -0.2(3) . . . . ?
C11 B14 B15 B16 33.78(17) . . . . ?
B19 B14 B15 B16 -100.8(2) . . . . ?
B13 B14 B15 B16 0.6(3) . . . . ?
B18 B14 B15 B16 -63.1(2) . . . . ?
C11 B15 B16 C12 35.80(16) . . . . ?
B14 B15 B16 C12 2.1(2) . . . . ?
B19 B15 B16 C12 -61.1(2) . . . . ?
B20 B15 B16 C12 -98.3(2) . . . . ?
B14 B15 B16 C11 -33.66(17) . . . . ?
B19 B15 B16 C11 -96.9(2) . . . . ?
B20 B15 B16 C11 -134.1(2) . . . . ?
C11 B15 B16 B21 96.1(2) . . . . ?
B14 B15 B16 B21 62.4(2) . . . . ?
B19 B15 B16 B21 -0.8(3) . . . . ?
B20 B15 B16 B21 -38.0(2) . . . . ?
C11 B15 B16 B20 134.1(2) . . . . ?
B14 B15 B16 B20 100.4(2) . . . . ?
B19 B15 B16 B20 37.2(2) . . . . ?
C11 B13 B17 C12 34.31(17) . . . . ?
B14 B13 B17 C12 95.6(2) . . . . ?
B18 B13 B17 C12 133.7(2) . . . . ?
C12 B13 B17 B21 -32.54(19) . . . . ?
C11 B13 B17 B21 1.8(3) . . . . ?
B14 B13 B17 B21 63.1(2) . . . . ?
B18 B13 B17 B21 101.1(2) . . . . ?
C12 B13 B17 B22 -96.5(2) . . . . ?
C11 B13 B17 B22 -62.2(2) . . . . ?
B14 B13 B17 B22 -0.8(3) . . . . ?
B18 B13 B17 B22 37.2(2) . . . . ?
C12 B13 B17 B18 -133.7(2) . . . . ?
C11 B13 B17 B18 -99.4(2) . . . . ?
B14 B13 B17 B18 -38.1(2) . . . . ?
C11 B14 B18 B13 39.30(19) . . . . ?
B19 B14 B18 B13 138.4(2) . . . . ?
B15 B14 B18 B13 100.8(2) . . . . ?
C11 B14 B18 B22 -61.7(3) . . . . ?
B19 B14 B18 B22 37.4(2) . . . . ?
B13 B14 B18 B22 -101.0(2) . . . . ?
B15 B14 B18 B22 -0.2(3) . . . . ?
C11 B14 B18 B17 1.2(3) . . . . ?
B19 B14 B18 B17 100.3(2) . . . . ?
B13 B14 B18 B17 -38.1(2) . . . . ?
B15 B14 B18 B17 62.8(3) . . . . ?
C11 B14 B18 B19 -99.1(2) . . . . ?
B13 B14 B18 B19 -138.4(2) . . . . ?
B15 B14 B18 B19 -37.58(19) . . . . ?
C12 B13 B18 B14 -98.1(2) . . . . ?
C11 B13 B18 B14 -39.18(18) . . . . ?
B17 B13 B18 B14 -137.2(2) . . . . ?
C12 B13 B18 B22 2.0(3) . . . . ?
C11 B13 B18 B22 60.9(2) . . . . ?
B14 B13 B18 B22 100.1(2) . . . . ?
B17 B13 B18 B22 -37.1(2) . . . . ?
C12 B13 B18 B17 39.10(19) . . . . ?
C11 B13 B18 B17 98.0(2) . . . . ?
B14 B13 B18 B17 137.2(2) . . . . ?
C12 B13 B18 B19 -61.1(2) . . . . ?
C11 B13 B18 B19 -2.2(3) . . . . ?
B14 B13 B18 B19 37.00(19) . . . . ?
B17 B13 B18 B19 -100.2(2) . . . . ?
C12 B17 B18 B14 -1.9(3) . . . . ?
B21 B17 B18 B14 -62.9(3) . . . . ?
B22 B17 B18 B14 -100.3(2) . . . . ?
B13 B17 B18 B14 38.0(2) . . . . ?
C12 B17 B18 B13 -39.89(19) . . . . ?
B21 B17 B18 B13 -101.0(2) . . . . ?
B22 B17 B18 B13 -138.3(2) . . . . ?
C12 B17 B18 B22 98.5(2) . . . . ?
B21 B17 B18 B22 37.40(19) . . . . ?
B13 B17 B18 B22 138.3(2) . . . . ?
C12 B17 B18 B19 61.0(3) . . . . ?
B21 B17 B18 B19 -0.1(3) . . . . ?
B22 B17 B18 B19 -37.45(19) . . . . ?
B13 B17 B18 B19 100.9(2) . . . . ?
C11 B14 B19 B22 61.6(2) . . . . ?
B13 B14 B19 B22 -0.2(3) . . . . ?
B18 B14 B19 B22 -37.5(2) . . . . ?
B15 B14 B19 B22 100.7(2) . . . . ?
C11 B14 B19 B15 -39.09(17) . . . . ?
B13 B14 B19 B15 -100.9(2) . . . . ?
B18 B14 B19 B15 -138.3(2) . . . . ?
C11 B14 B19 B18 99.2(2) . . . . ?
B13 B14 B19 B18 37.39(19) . . . . ?
B15 B14 B19 B18 138.3(2) . . . . ?
C11 B14 B19 B20 -1.6(3) . . . . ?
B13 B14 B19 B20 -63.3(3) . . . . ?
B18 B14 B19 B20 -100.7(2) . . . . ?
B15 B14 B19 B20 37.5(2) . . . . ?
C11 B15 B19 B14 39.13(17) . . . . ?
B20 B15 B19 B14 137.8(2) . . . . ?
B16 B15 B19 B14 101.0(2) . . . . ?
C11 B15 B19 B22 -61.4(3) . . . . ?
B14 B15 B19 B22 -100.6(2) . . . . ?
B20 B15 B19 B22 37.2(2) . . . . ?
B16 B15 B19 B22 0.5(3) . . . . ?
C11 B15 B19 B18 1.9(3) . . . . ?
B14 B15 B19 B18 -37.21(19) . . . . ?
B20 B15 B19 B18 100.6(2) . . . . ?
B16 B15 B19 B18 63.8(3) . . . . ?
C11 B15 B19 B20 -98.7(2) . . . . ?
B14 B15 B19 B20 -137.8(2) . . . . ?
B16 B15 B19 B20 -36.8(2) . . . . ?
B13 B18 B19 B14 -37.12(19) . . . . ?
B22 B18 B19 B14 -137.9(2) . . . . ?
B17 B18 B19 B14 -100.4(2) . . . . ?
B14 B18 B19 B22 137.9(2) . . . . ?
B13 B18 B19 B22 100.8(2) . . . . ?
B17 B18 B19 B22 37.48(19) . . . . ?
B14 B18 B19 B15 37.28(19) . . . . ?
B13 B18 B19 B15 0.2(3) . . . . ?
B22 B18 B19 B15 -100.6(2) . . . . ?
B17 B18 B19 B15 -63.1(2) . . . . ?
B14 B18 B19 B20 100.5(2) . . . . ?
B13 B18 B19 B20 63.4(3) . . . . ?
B22 B18 B19 B20 -37.41(19) . . . . ?
B17 B18 B19 B20 0.1(3) . . . . ?
C12 B16 B20 B21 -39.47(19) . . . . ?
C11 B16 B20 B21 -98.2(2) . . . . ?
B15 B16 B20 B21 -137.4(2) . . . . ?
C12 B16 B20 B22 -2.3(3) . . . . ?
C11 B16 B20 B22 -61.0(2) . . . . ?
B21 B16 B20 B22 37.2(2) . . . . ?
B15 B16 B20 B22 -100.1(2) . . . . ?
C12 B16 B20 B15 97.9(2) . . . . ?
C11 B16 B20 B15 39.12(18) . . . . ?
B21 B16 B20 B15 137.4(2) . . . . ?
C12 B16 B20 B19 60.9(2) . . . . ?
C11 B16 B20 B19 2.2(3) . . . . ?
B21 B16 B20 B19 100.4(2) . . . . ?
B15 B16 B20 B19 -36.9(2) . . . . ?
C11 B15 B20 B21 -1.6(3) . . . . ?
B14 B15 B20 B21 -63.1(3) . . . . ?
B19 B15 B20 B21 -100.6(2) . . . . ?
B16 B15 B20 B21 38.1(2) . . . . ?
C11 B15 B20 B16 -39.63(18) . . . . ?
B14 B15 B20 B16 -101.1(2) . . . . ?
B19 B15 B20 B16 -138.7(2) . . . . ?
C11 B15 B20 B22 62.0(3) . . . . ?
B14 B15 B20 B22 0.5(3) . . . . ?
B19 B15 B20 B22 -37.1(2) . . . . ?
B16 B15 B20 B22 101.6(2) . . . . ?
C11 B15 B20 B19 99.1(2) . . . . ?
B14 B15 B20 B19 37.6(2) . . . . ?
B16 B15 B20 B19 138.7(2) . . . . ?
B14 B19 B20 B21 63.1(3) . . . . ?
B22 B19 B20 B21 -37.5(2) . . . . ?
B15 B19 B20 B21 100.7(2) . . . . ?
B18 B19 B20 B21 -0.1(3) . . . . ?
B14 B19 B20 B16 -0.4(3) . . . . ?
B22 B19 B20 B16 -101.0(2) . . . . ?
B15 B19 B20 B16 37.2(2) . . . . ?
B18 B19 B20 B16 -63.6(3) . . . . ?
B14 B19 B20 B22 100.6(2) . . . . ?
B15 B19 B20 B22 138.2(2) . . . . ?
B18 B19 B20 B22 37.4(2) . . . . ?
B14 B19 B20 B15 -37.6(2) . . . . ?
B22 B19 B20 B15 -138.2(2) . . . . ?
B18 B19 B20 B15 -100.8(2) . . . . ?
B22 B17 B21 C12 133.4(2) . . . . ?
B13 B17 B21 C12 32.81(19) . . . . ?
B18 B17 B21 C12 96.2(2) . . . . ?
C12 B17 B21 B20 -96.2(2) . . . . ?
B22 B17 B21 B20 37.24(19) . . . . ?
B13 B17 B21 B20 -63.4(3) . . . . ?
B18 B17 B21 B20 0.0(3) . . . . ?
C12 B17 B21 B16 -32.49(19) . . . . ?
B22 B17 B21 B16 101.0(2) . . . . ?
B13 B17 B21 B16 0.3(3) . . . . ?
B18 B17 B21 B16 63.7(3) . . . . ?
C12 B17 B21 B22 -133.4(2) . . . . ?
B13 B17 B21 B22 -100.6(2) . . . . ?
B18 B17 B21 B22 -37.22(19) . . . . ?
B16 B20 B21 C12 40.19(19) . . . . ?
B22 B20 B21 C12 -98.4(2) . . . . ?
B15 B20 B21 C12 1.9(3) . . . . ?
B19 B20 B21 C12 -61.2(2) . . . . ?
B16 B20 B21 B17 101.4(2) . . . . ?
B22 B20 B21 B17 -37.20(19) . . . . ?
B15 B20 B21 B17 63.2(3) . . . . ?
B19 B20 B21 B17 0.0(3) . . . . ?
B22 B20 B21 B16 -138.6(2) . . . . ?
B15 B20 B21 B16 -38.2(2) . . . . ?
B19 B20 B21 B16 -101.4(2) . . . . ?
B16 B20 B21 B22 138.6(2) . . . . ?
B15 B20 B21 B22 100.4(2) . . . . ?
B19 B20 B21 B22 37.22(19) . . . . ?
C11 B16 B21 C12 -34.56(17) . . . . ?
B20 B16 B21 C12 -133.3(2) . . . . ?
B15 B16 B21 C12 -95.2(2) . . . . ?
C12 B16 B21 B17 32.30(19) . . . . ?
C11 B16 B21 B17 -2.3(3) . . . . ?
B20 B16 B21 B17 -101.0(2) . . . . ?
B15 B16 B21 B17 -62.9(3) . . . . ?
C12 B16 B21 B20 133.3(2) . . . . ?
C11 B16 B21 B20 98.7(2) . . . . ?
B15 B16 B21 B20 38.0(2) . . . . ?
C12 B16 B21 B22 96.1(2) . . . . ?
C11 B16 B21 B22 61.5(3) . . . . ?
B20 B16 B21 B22 -37.2(2) . . . . ?
B15 B16 B21 B22 0.8(3) . . . . ?
B14 B19 B22 B17 -0.4(3) . . . . ?
B15 B19 B22 B17 63.0(3) . . . . ?
B18 B19 B22 B17 -37.9(2) . . . . ?
B20 B19 B22 B17 100.2(2) . . . . ?
B14 B19 B22 B18 37.5(2) . . . . ?
B15 B19 B22 B18 100.8(2) . . . . ?
B20 B19 B22 B18 138.0(2) . . . . ?
B14 B19 B22 B20 -100.6(2) . . . . ?
B15 B19 B22 B20 -37.2(2) . . . . ?
B18 B19 B22 B20 -138.0(2) . . . . ?
B14 B19 B22 B21 -63.3(3) . . . . ?
B15 B19 B22 B21 0.0(3) . . . . ?
B18 B19 B22 B21 -100.8(2) . . . . ?
B20 B19 B22 B21 37.2(2) . . . . ?
C12 B17 B22 B19 -60.9(3) . . . . ?
B21 B17 B22 B19 -100.6(2) . . . . ?
B13 B17 B22 B19 0.8(3) . . . . ?
B18 B17 B22 B19 37.9(2) . . . . ?
C12 B17 B22 B18 -98.8(2) . . . . ?
B21 B17 B22 B18 -138.5(2) . . . . ?
B13 B17 B22 B18 -37.14(19) . . . . ?
C12 B17 B22 B20 3.0(3) . . . . ?
B21 B17 B22 B20 -36.71(19) . . . . ?
B13 B17 B22 B20 64.7(3) . . . . ?
B18 B17 B22 B20 101.8(2) . . . . ?
C12 B17 B22 B21 39.69(18) . . . . ?
B13 B17 B22 B21 101.4(2) . . . . ?
B18 B17 B22 B21 138.5(2) . . . . ?
B14 B18 B22 B19 -37.34(19) . . . . ?
B13 B18 B22 B19 -100.6(2) . . . . ?
B17 B18 B22 B19 -137.8(2) . . . . ?
B14 B18 B22 B17 100.4(2) . . . . ?
B13 B18 B22 B17 37.23(19) . . . . ?
B19 B18 B22 B17 137.8(2) . . . . ?
B14 B18 B22 B20 0.5(3) . . . . ?
B13 B18 B22 B20 -62.7(3) . . . . ?
B17 B18 B22 B20 -99.9(2) . . . . ?
B19 B18 B22 B20 37.9(2) . . . . ?
B14 B18 B22 B21 63.6(3) . . . . ?
B13 B18 B22 B21 0.4(3) . . . . ?
B17 B18 B22 B21 -36.9(2) . . . . ?
B19 B18 B22 B21 100.9(2) . . . . ?
B21 B20 B22 B19 138.1(2) . . . . ?
B16 B20 B22 B19 101.0(2) . . . . ?
B15 B20 B22 B19 37.1(2) . . . . ?
B21 B20 B22 B17 36.69(19) . . . . ?
B16 B20 B22 B17 -0.4(3) . . . . ?
B15 B20 B22 B17 -64.3(3) . . . . ?
B19 B20 B22 B17 -101.4(2) . . . . ?
B21 B20 B22 B18 100.3(2) . . . . ?
B16 B20 B22 B18 63.2(3) . . . . ?
B15 B20 B22 B18 -0.6(3) . . . . ?
B19 B20 B22 B18 -37.8(2) . . . . ?
B16 B20 B22 B21 -37.12(19) . . . . ?
B15 B20 B22 B21 -101.0(2) . . . . ?
B19 B20 B22 B21 -138.1(2) . . . . ?
C12 B21 B22 B19 61.2(3) . . . . ?
B17 B21 B22 B19 100.9(2) . . . . ?
B20 B21 B22 B19 -37.7(2) . . . . ?
B16 B21 B22 B19 -0.5(3) . . . . ?
C12 B21 B22 B17 -39.76(18) . . . . ?
B20 B21 B22 B17 -138.6(2) . . . . ?
B16 B21 B22 B17 -101.5(2) . . . . ?
C12 B21 B22 B18 -2.6(3) . . . . ?
B17 B21 B22 B18 37.2(2) . . . . ?
B20 B21 B22 B18 -101.4(2) . . . . ?
B16 B21 B22 B18 -64.3(3) . . . . ?
C12 B21 B22 B20 98.8(2) . . . . ?
B17 B21 B22 B20 138.6(2) . . . . ?
B16 B21 B22 B20 37.1(2) . . . . ?
C4 N1 C3 C1 174.94(19) . . . . ?
C4 N1 C3 S1 -4.5(3) . . . . ?
C2 C1 C3 N1 -30.4(3) . . . . ?
B4 C1 C3 N1 110.3(2) . . . . ?
B5 C1 C3 N1 -172.2(2) . . . . ?
B6 C1 C3 N1 -99.2(2) . . . . ?
B3 C1 C3 N1 38.2(3) . . . . ?
C2 C1 C3 S1 149.19(17) . . . . ?
B4 C1 C3 S1 -70.2(3) . . . . ?
B5 C1 C3 S1 7.3(3) . . . . ?
B6 C1 C3 S1 80.3(2) . . . . ?
B3 C1 C3 S1 -142.23(16) . . . . ?
Rh1 S1 C3 N1 -36.2(2) . . . . ?
Rh1 S1 C3 C1 144.30(15) . . . . ?
C3 N1 C4 C9 -144.5(2) . . . . ?
C3 N1 C4 C5 39.0(3) . . . . ?
C9 C4 C5 C6 -2.4(3) . . . . ?
N1 C4 C5 C6 173.7(2) . . . . ?
C9 C4 C5 Rh1 170.91(17) . . . . ?
N1 C4 C5 Rh1 -12.9(3) . . . . ?
C4 C5 C6 C7 4.7(3) . . . . ?
Rh1 C5 C6 C7 -168.62(17) . . . . ?
C4 C5 C6 N2 -175.1(2) . . . . ?
Rh1 C5 C6 N2 11.5(3) . . . . ?
C10 N2 C6 C7 -158.8(2) . . . . ?
C10 N2 C6 C5 21.0(4) . . . . ?
C5 C6 C7 C8 -2.9(4) . . . . ?
N2 C6 C7 C8 177.0(2) . . . . ?
C6 C7 C8 C9 -1.6(4) . . . . ?
C7 C8 C9 C4 3.9(4) . . . . ?
C5 C4 C9 C8 -1.9(4) . . . . ?
N1 C4 C9 C8 -178.6(2) . . . . ?
C6 N2 C10 C11 169.3(2) . . . . ?
C6 N2 C10 S2 -8.8(4) . . . . ?
Rh1 S2 C10 N2 -24.8(2) . . . . ?
Rh1 S2 C10 C11 157.02(14) . . . . ?
N2 C10 C11 C12 7.4(3) . . . . ?
S2 C10 C11 C12 -174.08(15) . . . . ?
N2 C10 C11 B15 -133.1(2) . . . . ?
S2 C10 C11 B15 45.5(3) . . . . ?
N2 C10 C11 B14 150.2(2) . . . . ?
S2 C10 C11 B14 -31.3(3) . . . . ?
N2 C10 C11 B13 76.9(2) . . . . ?
S2 C10 C11 B13 -104.53(19) . . . . ?
N2 C10 C11 B16 -60.9(3) . . . . ?
S2 C10 C11 B16 117.66(18) . . . . ?
B14 B15 C11 C10 -114.7(2) . . . . ?
B19 B15 C11 C10 -154.2(2) . . . . ?
B20 B15 C11 C10 143.1(2) . . . . ?
B16 B15 C11 C10 103.2(2) . . . . ?
B14 B15 C11 C12 102.83(19) . . . . ?
B19 B15 C11 C12 63.3(2) . . . . ?
B20 B15 C11 C12 0.6(3) . . . . ?
B16 B15 C11 C12 -39.23(18) . . . . ?
B19 B15 C11 B14 -39.55(18) . . . . ?
B20 B15 C11 B14 -102.3(2) . . . . ?
B16 B15 C11 B14 -142.06(19) . . . . ?
B14 B15 C11 B13 36.01(19) . . . . ?
B19 B15 C11 B13 -3.5(3) . . . . ?
B20 B15 C11 B13 -66.2(2) . . . . ?
B16 B15 C11 B13 -106.0(2) . . . . ?
B14 B15 C11 B16 142.06(19) . . . . ?
B19 B15 C11 B16 102.5(2) . . . . ?
B20 B15 C11 B16 39.80(19) . . . . ?
B19 B14 C11 C10 152.3(2) . . . . ?
B13 B14 C11 C10 -104.9(2) . . . . ?
B18 B14 C11 C10 -144.8(2) . . . . ?
B15 B14 C11 C10 112.4(2) . . . . ?
B19 B14 C11 C12 -63.1(2) . . . . ?
B13 B14 C11 C12 39.76(19) . . . . ?
B18 B14 C11 C12 -0.1(3) . . . . ?
B15 B14 C11 C12 -102.9(2) . . . . ?
B19 B14 C11 B15 39.87(18) . . . . ?
B13 B14 C11 B15 142.7(2) . . . . ?
B18 B14 C11 B15 102.8(2) . . . . ?
B19 B14 C11 B13 -102.8(2) . . . . ?
B18 B14 C11 B13 -39.9(2) . . . . ?
B15 B14 C11 B13 -142.7(2) . . . . ?
B19 B14 C11 B16 3.1(3) . . . . ?
B13 B14 C11 B16 106.0(2) . . . . ?
B18 B14 C11 B16 66.1(2) . . . . ?
B15 B14 C11 B16 -36.73(19) . . . . ?
C12 B13 C11 C10 -106.7(2) . . . . ?
B14 B13 C11 C10 116.4(2) . . . . ?
B18 B13 C11 C10 156.17(19) . . . . ?
B17 B13 C11 C10 -141.42(19) . . . . ?
B14 B13 C11 C12 -136.9(2) . . . . ?
B18 B13 C11 C12 -97.1(2) . . . . ?
B17 B13 C11 C12 -34.71(18) . . . . ?
C12 B13 C11 B15 100.8(2) . . . . ?
B14 B13 C11 B15 -36.09(19) . . . . ?
B18 B13 C11 B15 3.6(3) . . . . ?
B17 B13 C11 B15 66.1(2) . . . . ?
C12 B13 C11 B14 136.9(2) . . . . ?
B18 B13 C11 B14 39.74(18) . . . . ?
B17 B13 C11 B14 102.2(2) . . . . ?
C12 B13 C11 B16 31.28(19) . . . . ?
B14 B13 C11 B16 -105.6(2) . . . . ?
B18 B13 C11 B16 -65.8(2) . . . . ?
B17 B13 C11 B16 -3.4(3) . . . . ?
C12 B16 C11 C10 107.4(2) . . . . ?
B21 B16 C11 C10 142.4(2) . . . . ?
B20 B16 C11 C10 -155.5(2) . . . . ?
B15 B16 C11 C10 -115.4(2) . . . . ?
B21 B16 C11 C12 35.08(18) . . . . ?
B20 B16 C11 C12 97.2(2) . . . . ?
B15 B16 C11 C12 137.20(19) . . . . ?
C12 B16 C11 B15 -137.20(19) . . . . ?
B21 B16 C11 B15 -102.1(2) . . . . ?
B20 B16 C11 B15 -40.04(19) . . . . ?
C12 B16 C11 B14 -100.5(2) . . . . ?
B21 B16 C11 B14 -65.4(2) . . . . ?
B20 B16 C11 B14 -3.4(3) . . . . ?
B15 B16 C11 B14 36.67(19) . . . . ?
C12 B16 C11 B13 -31.47(19) . . . . ?
B21 B16 C11 B13 3.6(3) . . . . ?
B20 B16 C11 B13 65.7(2) . . . . ?
B15 B16 C11 B13 105.7(2) . . . . ?
C10 C11 C12 B21 -144.4(2) . . . . ?
B15 C11 C12 B21 0.7(3) . . . . ?
B14 C11 C12 B21 67.8(2) . . . . ?
B13 C11 C12 B21 107.9(2) . . . . ?
B16 C11 C12 B21 -39.30(19) . . . . ?
C10 C11 C12 B17 146.6(2) . . . . ?
B15 C11 C12 B17 -68.2(3) . . . . ?
B14 C11 C12 B17 -1.2(3) . . . . ?
B13 C11 C12 B17 39.0(2) . . . . ?
B16 C11 C12 B17 -108.2(2) . . . . ?
C10 C11 C12 B16 -105.1(2) . . . . ?
B15 C11 C12 B16 40.01(19) . . . . ?
B14 C11 C12 B16 107.1(2) . . . . ?
B13 C11 C12 B16 147.2(2) . . . . ?
C10 C11 C12 B13 107.6(2) . . . . ?
B15 C11 C12 B13 -107.2(2) . . . . ?
B14 C11 C12 B13 -40.14(19) . . . . ?
B16 C11 C12 B13 -147.2(2) . . . . ?
B17 B21 C12 C11 -104.6(2) . . . . ?
B20 B21 C12 C11 -1.7(3) . . . . ?
B16 B21 C12 C11 39.03(19) . . . . ?
B22 B21 C12 C11 -64.1(3) . . . . ?
B20 B21 C12 B17 102.9(2) . . . . ?
B16 B21 C12 B17 143.6(2) . . . . ?
B22 B21 C12 B17 40.53(19) . . . . ?
B17 B21 C12 B16 -143.6(2) . . . . ?
B20 B21 C12 B16 -40.7(2) . . . . ?
B22 B21 C12 B16 -103.1(2) . . . . ?
B17 B21 C12 B13 -36.4(2) . . . . ?
B20 B21 C12 B13 66.6(3) . . . . ?
B16 B21 C12 B13 107.3(2) . . . . ?
B22 B21 C12 B13 4.2(3) . . . . ?
B21 B17 C12 C11 104.8(2) . . . . ?
B22 B17 C12 C11 64.1(3) . . . . ?
B13 B17 C12 C11 -38.4(2) . . . . ?
B18 B17 C12 C11 1.9(3) . . . . ?
B22 B17 C12 B21 -40.70(19) . . . . ?
B13 B17 C12 B21 -143.2(2) . . . . ?
B18 B17 C12 B21 -102.9(2) . . . . ?
B21 B17 C12 B16 35.9(2) . . . . ?
B22 B17 C12 B16 -4.8(3) . . . . ?
B13 B17 C12 B16 -107.3(2) . . . . ?
B18 B17 C12 B16 -67.0(3) . . . . ?
B21 B17 C12 B13 143.2(2) . . . . ?
B22 B17 C12 B13 102.5(2) . . . . ?
B18 B17 C12 B13 40.3(2) . . . . ?
B21 B16 C12 C11 -138.9(2) . . . . ?
B20 B16 C12 C11 -98.5(2) . . . . ?
B15 B16 C12 C11 -36.45(16) . . . . ?
C11 B16 C12 B21 138.9(2) . . . . ?
B20 B16 C12 B21 40.45(19) . . . . ?
B15 B16 C12 B21 102.5(2) . . . . ?
C11 B16 C12 B17 103.0(2) . . . . ?
B21 B16 C12 B17 -35.9(2) . . . . ?
B20 B16 C12 B17 4.5(3) . . . . ?
B15 B16 C12 B17 66.6(2) . . . . ?
C11 B16 C12 B13 31.97(18) . . . . ?
B21 B16 C12 B13 -107.0(2) . . . . ?
B20 B16 C12 B13 -66.5(2) . . . . ?
B15 B16 C12 B13 -4.5(2) . . . . ?
B14 B13 C12 C11 37.05(16) . . . . ?
B18 B13 C12 C11 99.0(2) . . . . ?
B17 B13 C12 C11 139.3(2) . . . . ?
C11 B13 C12 B21 -103.0(2) . . . . ?
B14 B13 C12 B21 -65.9(2) . . . . ?
B18 B13 C12 B21 -4.0(3) . . . . ?
B17 B13 C12 B21 36.3(2) . . . . ?
C11 B13 C12 B17 -139.3(2) . . . . ?
B14 B13 C12 B17 -102.3(2) . . . . ?
B18 B13 C12 B17 -40.28(19) . . . . ?
C11 B13 C12 B16 -32.17(18) . . . . ?
B14 B13 C12 B16 4.9(3) . . . . ?
B18 B13 C12 B16 66.8(2) . . . . ?
B17 B13 C12 B16 107.1(2) . . . . ?

_refine_diff_density_max         0.505
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.059

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_230804b_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2303637'
loop_
_audit_author_name
_audit_author_address
'Xin-Ran Liu'
;Fudan university
China
;
_audit_update_record             
;
2023-10-25 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C17.60 H32.80 B16 Ir0.80 N1.60 S1.60'
_chemical_formula_weight         644.87

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -5.7005 5.2682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.1073(6)
_cell_length_b                   13.3046(4)
_cell_length_c                   13.9712(4)
_cell_angle_alpha                90
_cell_angle_beta                 99.2970(10)
_cell_angle_gamma                90
_cell_volume                     3505.03(18)
_cell_formula_units_Z            5
_cell_measurement_temperature    174(2)
_cell_measurement_reflns_used    9852
_cell_measurement_theta_min      3.55
_cell_measurement_theta_max      54.79

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_F_000             1584
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    5.715
_shelx_estimated_absorpt_T_min   0.318
_shelx_estimated_absorpt_T_max   0.394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.421
_exptl_absorpt_correction_T_max  0.750
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      174(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23569
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.537
_diffrn_reflns_theta_max         52.187
_diffrn_reflns_theta_full        52.187
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             5958
_reflns_number_gt                5528
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0899P)²+2.6626P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.00042(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5958
_refine_ls_number_parameters     442
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0357
_refine_ls_wR_factor_ref         0.1171
_refine_ls_wR_factor_gt          0.1137
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ir1 Ir 0.29407(2) 0.41370(2) 0.63735(2) 0.01605(13) Uani 1 1 d . . . . .
S1 S 0.40795(5) 0.45930(7) 0.71743(7) 0.0207(2) Uani 1 1 d . . . . .
S2 S 0.23981(5) 0.55590(7) 0.69263(7) 0.0219(2) Uani 1 1 d . . . . .
N1 N 0.40509(16) 0.2773(2) 0.8085(2) 0.0202(7) Uani 1 1 d . . . . .
N2 N 0.1671(2) 0.4241(3) 0.7909(3) 0.0231(9) Uani 1 1 d . . . . .
C1 C 0.5178(2) 0.3557(3) 0.8239(3) 0.0179(8) Uani 1 1 d . . . . .
C2 C 0.5454(2) 0.2616(3) 0.8955(3) 0.0202(8) Uani 1 1 d D . . . .
H2 H 0.506(2) 0.216(3) 0.905(4) 0.039(13) Uiso 1 1 d D . . . .
B3 B 0.5634(2) 0.2581(3) 0.7789(3) 0.0244(10) Uani 1 1 d . . . . .
H3 H 0.539659 0.204527 0.720766 0.029 Uiso 1 1 calc R U . . .
B4 B 0.5805(2) 0.3855(4) 0.7543(4) 0.0268(10) Uani 1 1 d . . . . .
H4 H 0.568409 0.416229 0.678764 0.032 Uiso 1 1 calc R U . . .
B5 B 0.5680(2) 0.4603(3) 0.8564(4) 0.0279(11) Uani 1 1 d . . . . .
H5 H 0.548189 0.539485 0.847826 0.033 Uiso 1 1 calc R U . . .
B6 B 0.5432(3) 0.3787(4) 0.9465(3) 0.0273(10) Uani 1 1 d . . . . .
H6 H 0.506434 0.403031 0.996902 0.033 Uiso 1 1 calc R U . . .
B7 B 0.6260(2) 0.2197(3) 0.8790(4) 0.0244(10) Uani 1 1 d . . . . .
H7 H 0.643953 0.139506 0.886611 0.029 Uiso 1 1 calc R U . . .
B8 B 0.6519(3) 0.3001(4) 0.7908(4) 0.0299(11) Uani 1 1 d . . . . .
H8 H 0.688079 0.274729 0.740007 0.036 Uiso 1 1 calc R U . . .
B9 B 0.6549(3) 0.4249(4) 0.8383(5) 0.0346(13) Uani 1 1 d . . . . .
H9 H 0.693219 0.481867 0.818475 0.042 Uiso 1 1 calc R U . . .
B10 B 0.6316(3) 0.4203(3) 0.9580(5) 0.0320(14) Uani 1 1 d . . . . .
H10 H 0.654451 0.473599 1.016904 0.038 Uiso 1 1 calc R U . . .
B11 B 0.6142(3) 0.2932(4) 0.9824(4) 0.0273(11) Uani 1 1 d . . . . .
H11 H 0.624689 0.261561 1.057578 0.033 Uiso 1 1 calc R U . . .
B12 B 0.6835(3) 0.3212(4) 0.9166(4) 0.0286(10) Uani 1 1 d . . . . .
H12 H 0.740477 0.309392 0.948619 0.034 Uiso 1 1 calc R U . . .
B13 B 0.1279(3) 0.6101(4) 0.9116(4) 0.0318(11) Uani 1 1 d . . . . .
H13 H 0.163866 0.570982 0.971247 0.038 Uiso 1 1 calc R U . . .
B14 B 0.1581(3) 0.7063(4) 0.8405(4) 0.0283(10) Uani 1 1 d . . . . .
H14 H 0.214895 0.731024 0.853786 0.034 Uiso 1 1 calc R U . . .
B15 B 0.1086(3) 0.7009(4) 0.7221(4) 0.0303(11) Uani 1 1 d . . . . .
H15 H 0.132912 0.723075 0.657415 0.036 Uiso 1 1 calc R U . . .
B16 B 0.0474(3) 0.5993(4) 0.7169(5) 0.0359(14) Uani 1 1 d . . . . .
H16 H 0.031417 0.552997 0.650026 0.043 Uiso 1 1 calc R U . . .
B17 B 0.0374(3) 0.6331(4) 0.9189(5) 0.0429(14) Uani 1 1 d . . . . .
H17 H 0.013777 0.609419 0.983701 0.051 Uiso 1 1 calc R U . . .
B18 B 0.0987(3) 0.7354(4) 0.9217(4) 0.0362(12) Uani 1 1 d . . . . .
H18 H 0.115679 0.780976 0.988835 0.043 Uiso 1 1 calc R U . . .
B19 B 0.0864(3) 0.7917(4) 0.8045(4) 0.0323(11) Uani 1 1 d . . . . .
H19 H 0.095009 0.874064 0.794528 0.039 Uiso 1 1 calc R U . . .
B20 B 0.0178(3) 0.7233(5) 0.7281(5) 0.0394(14) Uani 1 1 d . . . . .
H20 H -0.018762 0.760317 0.667594 0.047 Uiso 1 1 calc R U . . .
B21 B -0.0117(3) 0.6269(5) 0.7986(5) 0.0427(14) Uani 1 1 d . . . . .
H21 H -0.067689 0.598939 0.785062 0.051 Uiso 1 1 calc R U . . .
B22 B 0.0115(3) 0.7455(4) 0.8525(4) 0.0377(13) Uani 1 1 d . . . . .
H22 H -0.029276 0.797423 0.874378 0.045 Uiso 1 1 calc R U . . .
C3 C 0.43850(19) 0.3562(3) 0.7872(3) 0.0188(8) Uani 1 1 d . . . . .
C4 C 0.3312(2) 0.2717(3) 0.7887(3) 0.0196(8) Uani 1 1 d . . . . .
C5 C 0.2874(2) 0.3597(3) 0.7877(3) 0.0192(8) Uani 1 1 d . . . . .
H5A H 0.308(3) 0.411(3) 0.825(4) 0.027(14) Uiso 1 1 d . . . . .
C6 C 0.2117(2) 0.3454(3) 0.7808(3) 0.0224(8) Uani 1 1 d . . . . .
C7 C 0.1837(2) 0.2479(3) 0.7727(3) 0.0239(9) Uani 1 1 d . . . . .
H7A H 0.134038 0.238042 0.768912 0.029 Uiso 1 1 calc R U . . .
C8 C 0.2276(2) 0.1664(3) 0.7703(3) 0.0258(9) Uani 1 1 d . . . . .
H8A H 0.207372 0.101094 0.763433 0.031 Uiso 1 1 calc R U . . .
C9 C 0.3005(2) 0.1766(3) 0.7774(3) 0.0234(8) Uani 1 1 d . . . . .
H9A H 0.329400 0.118939 0.774656 0.028 Uiso 1 1 calc R U . . .
C10 C 0.1792(2) 0.5141(3) 0.7620(3) 0.0215(8) Uani 1 1 d . . . . .
C11 C 0.1298(2) 0.5945(3) 0.7888(3) 0.0232(9) Uani 1 1 d . . . . .
C12 C 0.0608(2) 0.5541(4) 0.8337(4) 0.0325(10) Uani 1 1 d D . . . .
H12A H 0.061(3) 0.479(3) 0.842(3) 0.038(13) Uiso 1 1 d D . . . .
C13 C 0.2150(2) 0.3938(3) 0.5040(3) 0.0228(9) Uani 1 1 d . . . . .
C14 C 0.2709(2) 0.4588(3) 0.4840(3) 0.0210(8) Uani 1 1 d . . . . .
C15 C 0.3355(2) 0.4012(3) 0.5002(3) 0.0229(9) Uani 1 1 d . . . . .
C16 C 0.3195(2) 0.3021(3) 0.5317(3) 0.0241(9) Uani 1 1 d . . . . .
C17 C 0.2440(2) 0.2975(3) 0.5301(3) 0.0248(9) Uani 1 1 d . U . . .
C18 C 0.1377(3) 0.4222(4) 0.4891(4) 0.0382(13) Uani 1 1 d . . . . .
H18A H 0.116326 0.408761 0.421709 0.057 Uiso 1 1 calc R U . . .
H18B H 0.133082 0.493859 0.503141 0.057 Uiso 1 1 calc R U . . .
H18C H 0.113243 0.382481 0.532728 0.057 Uiso 1 1 calc R U . . .
C19 C 0.2609(3) 0.5629(3) 0.4433(3) 0.0336(10) Uani 1 1 d . . . . .
H19A H 0.307188 0.592218 0.438264 0.050 Uiso 1 1 calc R U . . .
H19B H 0.237019 0.604463 0.486129 0.050 Uiso 1 1 calc R U . . .
H19C H 0.231821 0.560080 0.378750 0.050 Uiso 1 1 calc R U . . .
C20 C 0.4069(3) 0.4367(4) 0.4841(4) 0.0320(10) Uani 1 1 d . . . . .
H20A H 0.414196 0.418416 0.418466 0.048 Uiso 1 1 calc R U . . .
H20B H 0.443669 0.404987 0.531630 0.048 Uiso 1 1 calc R U . . .
H20C H 0.409779 0.509860 0.491666 0.048 Uiso 1 1 calc R U . . .
C21 C 0.3707(3) 0.2167(4) 0.5515(4) 0.0394(12) Uani 1 1 d . . . . .
H21A H 0.353937 0.169552 0.596777 0.059 Uiso 1 1 calc R U . . .
H21B H 0.417412 0.242599 0.580101 0.059 Uiso 1 1 calc R U . . .
H21C H 0.374235 0.181900 0.490664 0.059 Uiso 1 1 calc R U . . .
C22 C 0.2024(3) 0.2046(3) 0.5414(3) 0.0397(12) Uani 1 1 d . . . . .
H22A H 0.187090 0.173985 0.477683 0.060 Uiso 1 1 calc R U . . .
H22B H 0.160697 0.221811 0.570732 0.060 Uiso 1 1 calc R U . . .
H22C H 0.232081 0.156835 0.583366 0.060 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Ir1 C15 2.194(4) . ?
Ir1 C14 2.200(4) . ?
Ir1 C16 2.202(4) . ?
Ir1 C13 2.217(4) . ?
Ir1 C5 2.243(4) . ?
Ir1 C17 2.255(4) . ?
Ir1 S2 2.3471(9) . ?
Ir1 S1 2.3596(9) . ?
S1 C3 1.729(4) . ?
S2 C10 1.718(4) . ?
N1 C3 1.288(5) . ?
N1 C4 1.396(5) . ?
N2 C10 1.296(5) . ?
N2 C6 1.371(5) . ?
C1 C3 1.519(5) . ?
C1 C2 1.636(5) . ?
C1 B4 1.707(6) . ?
C1 B5 1.710(6) . ?
C1 B6 1.731(6) . ?
C1 B3 1.737(6) . ?
C2 B7 1.689(6) . ?
C2 B11 1.693(6) . ?
C2 B6 1.716(6) . ?
C2 B3 1.719(6) . ?
C2 H2 0.99(4) . ?
B3 B8 1.763(7) . ?
B3 B7 1.764(6) . ?
B3 B4 1.770(7) . ?
B3 H3 1.1200 . ?
B4 B9 1.771(7) . ?
B4 B8 1.785(7) . ?
B4 B5 1.787(7) . ?
B4 H4 1.1200 . ?
B5 B9 1.781(7) . ?
B5 B6 1.783(7) . ?
B5 B10 1.793(8) . ?
B5 H5 1.1200 . ?
B6 B10 1.761(8) . ?
B6 B11 1.779(7) . ?
B6 H6 1.1200 . ?
B7 B8 1.763(7) . ?
B7 B12 1.766(7) . ?
B7 B11 1.788(7) . ?
B7 H7 1.1200 . ?
B8 B9 1.785(8) . ?
B8 B12 1.786(7) . ?
B8 H8 1.1200 . ?
B9 B12 1.790(7) . ?
B9 B10 1.799(10) . ?
B9 H9 1.1200 . ?
B10 B11 1.766(7) . ?
B10 B12 1.799(7) . ?
B10 H10 1.1200 . ?
B11 B12 1.767(7) . ?
B11 H11 1.1200 . ?
B12 H12 1.1200 . ?
B13 C12 1.713(7) . ?
B13 C11 1.735(7) . ?
B13 B18 1.770(8) . ?
B13 B14 1.773(8) . ?
B13 B17 1.775(8) . ?
B13 H13 1.1200 . ?
B14 C11 1.705(6) . ?
B14 B15 1.771(7) . ?
B14 B18 1.772(7) . ?
B14 B19 1.789(7) . ?
B14 H14 1.1200 . ?
B15 C11 1.708(6) . ?
B15 B19 1.768(7) . ?
B15 B20 1.776(7) . ?
B15 B16 1.781(8) . ?
B15 H15 1.1200 . ?
B16 C12 1.718(8) . ?
B16 C11 1.725(7) . ?
B16 B20 1.759(8) . ?
B16 B21 1.769(9) . ?
B16 H16 1.1200 . ?
B17 C12 1.701(7) . ?
B17 B22 1.786(8) . ?
B17 B21 1.789(9) . ?
B17 B18 1.793(8) . ?
B17 H17 1.1200 . ?
B18 B19 1.781(8) . ?
B18 B22 1.791(8) . ?
B18 H18 1.1200 . ?
B19 B22 1.785(8) . ?
B19 B20 1.799(8) . ?
B19 H19 1.1200 . ?
B20 B21 1.763(10) . ?
B20 B22 1.786(8) . ?
B20 H20 1.1200 . ?
B21 C12 1.695(7) . ?
B21 B22 1.773(8) . ?
B21 H21 1.1200 . ?
B22 H22 1.1200 . ?
C4 C9 1.392(5) . ?
C4 C5 1.438(5) . ?
C5 C6 1.447(5) . ?
C5 H5A 0.91(5) . ?
C6 C7 1.400(6) . ?
C7 C8 1.375(6) . ?
C7 H7A 0.9500 . ?
C8 C9 1.387(6) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.514(6) . ?
C11 C12 1.639(6) . ?
C12 H12A 1.00(4) . ?
C13 C17 1.420(6) . ?
C13 C14 1.437(6) . ?
C13 C18 1.506(6) . ?
C14 C15 1.438(6) . ?
C14 C19 1.498(6) . ?
C15 C16 1.438(6) . ?
C15 C20 1.496(7) . ?
C16 C17 1.439(6) . ?
C16 C21 1.496(6) . ?
C17 C22 1.493(6) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?

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
C15 Ir1 C14 38.22(15) . . ?
C15 Ir1 C16 38.18(15) . . ?
C14 Ir1 C16 64.07(15) . . ?
C15 Ir1 C13 63.27(16) . . ?
C14 Ir1 C13 37.98(15) . . ?
C16 Ir1 C13 63.30(15) . . ?
C15 Ir1 C5 151.21(15) . . ?
C14 Ir1 C5 165.12(15) . . ?
C16 Ir1 C5 117.61(14) . . ?
C13 Ir1 C5 127.91(15) . . ?
C15 Ir1 C17 62.72(15) . . ?
C14 Ir1 C17 62.80(14) . . ?
C16 Ir1 C17 37.65(15) . . ?
C13 Ir1 C17 37.02(15) . . ?
C5 Ir1 C17 108.69(14) . . ?
C15 Ir1 S2 126.10(11) . . ?
C14 Ir1 S2 94.05(11) . . ?
C16 Ir1 S2 157.05(11) . . ?
C13 Ir1 S2 95.46(11) . . ?
C5 Ir1 S2 81.68(10) . . ?
C17 Ir1 S2 127.49(11) . . ?
C15 Ir1 S1 89.92(12) . . ?
C14 Ir1 S1 114.61(11) . . ?
C16 Ir1 S1 101.82(11) . . ?
C13 Ir1 S1 151.69(12) . . ?
C5 Ir1 S1 79.98(10) . . ?
C17 Ir1 S1 138.66(11) . . ?
S2 Ir1 S1 93.40(3) . . ?
C3 S1 Ir1 105.36(13) . . ?
C10 S2 Ir1 107.36(14) . . ?
C3 N1 C4 121.4(3) . . ?
C10 N2 C6 121.9(4) . . ?
C3 C1 C2 114.5(3) . . ?
C3 C1 B4 124.1(3) . . ?
C2 C1 B4 109.9(3) . . ?
C3 C1 B5 124.9(3) . . ?
C2 C1 B5 110.4(3) . . ?
B4 C1 B5 63.1(3) . . ?
C3 C1 B6 116.0(3) . . ?
C2 C1 B6 61.2(2) . . ?
B4 C1 B6 114.3(3) . . ?
B5 C1 B6 62.4(3) . . ?
C3 C1 B3 114.4(3) . . ?
C2 C1 B3 61.2(2) . . ?
B4 C1 B3 61.9(3) . . ?
B5 C1 B3 114.3(3) . . ?
B6 C1 B3 114.4(3) . . ?
C1 C2 B7 112.4(3) . . ?
C1 C2 B11 112.6(3) . . ?
B7 C2 B11 63.8(3) . . ?
C1 C2 B6 62.1(2) . . ?
B7 C2 B6 116.1(3) . . ?
B11 C2 B6 62.9(3) . . ?
C1 C2 B3 62.3(2) . . ?
B7 C2 B3 62.3(3) . . ?
B11 C2 B3 115.7(3) . . ?
B6 C2 B3 116.1(3) . . ?
C1 C2 H2 112(3) . . ?
B7 C2 H2 123(3) . . ?
B11 C2 H2 125(3) . . ?
B6 C2 H2 115(3) . . ?
B3 C2 H2 113(3) . . ?
C2 B3 C1 56.5(2) . . ?
C2 B3 B8 103.8(3) . . ?
C1 B3 B8 105.0(3) . . ?
C2 B3 B7 58.0(2) . . ?
C1 B3 B7 104.2(3) . . ?
B8 B3 B7 60.0(3) . . ?
C2 B3 B4 103.3(3) . . ?
C1 B3 B4 58.2(2) . . ?
B8 B3 B4 60.7(3) . . ?
B7 B3 B4 108.0(3) . . ?
C2 B3 H3 125.7 . . ?
C1 B3 H3 124.7 . . ?
B8 B3 H3 122.7 . . ?
B7 B3 H3 122.3 . . ?
B4 B3 H3 122.3 . . ?
C1 B4 B3 59.9(3) . . ?
C1 B4 B9 104.7(4) . . ?
B3 B4 B9 107.9(3) . . ?
C1 B4 B8 105.3(3) . . ?
B3 B4 B8 59.4(3) . . ?
B9 B4 B8 60.3(3) . . ?
C1 B4 B5 58.6(3) . . ?
B3 B4 B5 109.0(3) . . ?
B9 B4 B5 60.1(3) . . ?
B8 B4 B5 108.7(3) . . ?
C1 B4 H4 124.4 . . ?
B3 B4 H4 121.1 . . ?
B9 B4 H4 122.5 . . ?
B8 B4 H4 122.2 . . ?
B5 B4 H4 121.0 . . ?
C1 B5 B9 104.1(3) . . ?
C1 B5 B6 59.4(2) . . ?
B9 B5 B6 107.4(3) . . ?
C1 B5 B4 58.4(2) . . ?
B9 B5 B4 59.5(3) . . ?
B6 B5 B4 108.0(3) . . ?
C1 B5 B10 104.4(3) . . ?
B9 B5 B10 60.4(3) . . ?
B6 B5 B10 59.0(3) . . ?
B4 B5 B10 107.8(3) . . ?
C1 B5 H5 124.8 . . ?
B9 B5 H5 122.7 . . ?
B6 B5 H5 121.6 . . ?
B4 B5 H5 121.6 . . ?
B10 B5 H5 122.6 . . ?
C2 B6 C1 56.7(2) . . ?
C2 B6 B10 103.7(3) . . ?
C1 B6 B10 104.9(4) . . ?
C2 B6 B11 57.9(2) . . ?
C1 B6 B11 104.2(3) . . ?
B10 B6 B11 59.9(3) . . ?
C2 B6 B5 103.4(3) . . ?
C1 B6 B5 58.2(2) . . ?
B10 B6 B5 60.8(3) . . ?
B11 B6 B5 108.0(3) . . ?
C2 B6 H6 125.7 . . ?
C1 B6 H6 124.7 . . ?
B10 B6 H6 122.8 . . ?
B11 B6 H6 122.4 . . ?
B5 B6 H6 122.2 . . ?
C2 B7 B8 105.0(3) . . ?
C2 B7 B3 59.7(2) . . ?
B8 B7 B3 60.0(3) . . ?
C2 B7 B12 104.1(3) . . ?
B8 B7 B12 60.8(3) . . ?
B3 B7 B12 108.9(3) . . ?
C2 B7 B11 58.2(3) . . ?
B8 B7 B11 108.6(3) . . ?
B3 B7 B11 108.9(3) . . ?
B12 B7 B11 59.6(3) . . ?
C2 B7 H7 125.0 . . ?
B8 B7 H7 121.9 . . ?
B3 B7 H7 120.6 . . ?
B12 B7 H7 122.3 . . ?
B11 B7 H7 121.4 . . ?
B7 B8 B3 60.0(3) . . ?
B7 B8 B4 107.4(3) . . ?
B3 B8 B4 59.8(3) . . ?
B7 B8 B9 107.5(4) . . ?
B3 B8 B9 107.6(3) . . ?
B4 B8 B9 59.5(3) . . ?
B7 B8 B12 59.7(3) . . ?
B3 B8 B12 108.0(4) . . ?
B4 B8 B12 107.6(4) . . ?
B9 B8 B12 60.1(3) . . ?
B7 B8 H8 122.1 . . ?
B3 B8 H8 121.7 . . ?
B4 B8 H8 122.2 . . ?
B9 B8 H8 122.0 . . ?
B12 B8 H8 121.7 . . ?
B4 B9 B5 60.4(3) . . ?
B4 B9 B8 60.3(3) . . ?
B5 B9 B8 108.9(3) . . ?
B4 B9 B12 108.1(3) . . ?
B5 B9 B12 108.4(4) . . ?
B8 B9 B12 60.0(3) . . ?
B4 B9 B10 108.3(4) . . ?
B5 B9 B10 60.1(3) . . ?
B8 B9 B10 108.4(3) . . ?
B12 B9 B10 60.2(3) . . ?
B4 B9 H9 121.5 . . ?
B5 B9 H9 121.2 . . ?
B8 B9 H9 121.3 . . ?
B12 B9 H9 121.7 . . ?
B10 B9 H9 121.5 . . ?
B6 B10 B11 60.6(3) . . ?
B6 B10 B5 60.2(3) . . ?
B11 B10 B5 108.2(4) . . ?
B6 B10 B9 107.6(4) . . ?
B11 B10 B9 107.1(4) . . ?
B5 B10 B9 59.5(3) . . ?
B6 B10 B12 108.1(3) . . ?
B11 B10 B12 59.4(3) . . ?
B5 B10 B12 107.5(4) . . ?
B9 B10 B12 59.7(3) . . ?
B6 B10 H10 121.3 . . ?
B11 B10 H10 121.8 . . ?
B5 B10 H10 121.8 . . ?
B9 B10 H10 122.4 . . ?
B12 B10 H10 122.1 . . ?
C2 B11 B10 104.4(3) . . ?
C2 B11 B12 103.9(3) . . ?
B10 B11 B12 61.2(3) . . ?
C2 B11 B6 59.2(2) . . ?
B10 B11 B6 59.6(3) . . ?
B12 B11 B6 108.7(4) . . ?
C2 B11 B7 58.0(2) . . ?
B10 B11 B7 108.4(4) . . ?
B12 B11 B7 59.6(3) . . ?
B6 B11 B7 108.2(3) . . ?
C2 B11 H11 125.4 . . ?
B10 B11 H11 122.0 . . ?
B12 B11 H11 122.1 . . ?
B6 B11 H11 121.1 . . ?
B7 B11 H11 121.7 . . ?
B7 B12 B11 60.8(3) . . ?
B7 B12 B8 59.5(3) . . ?
B11 B12 B8 108.4(3) . . ?
B7 B12 B9 107.1(3) . . ?
B11 B12 B9 107.4(4) . . ?
B8 B12 B9 59.9(3) . . ?
B7 B12 B10 108.0(3) . . ?
B11 B12 B10 59.4(3) . . ?
B8 B12 B10 108.4(4) . . ?
B9 B12 B10 60.2(3) . . ?
B7 B12 H12 121.9 . . ?
B11 B12 H12 121.6 . . ?
B8 B12 H12 121.5 . . ?
B9 B12 H12 122.2 . . ?
B10 B12 H12 121.7 . . ?
C12 B13 C11 56.8(3) . . ?
C12 B13 B18 104.3(4) . . ?
C11 B13 B18 104.4(4) . . ?
C12 B13 B14 103.7(4) . . ?
C11 B13 B14 58.1(3) . . ?
B18 B13 B14 60.0(3) . . ?
C12 B13 B17 58.3(3) . . ?
C11 B13 B17 104.7(4) . . ?
B18 B13 B17 60.8(3) . . ?
B14 B13 B17 108.5(4) . . ?
C12 B13 H13 125.3 . . ?
C11 B13 H13 124.9 . . ?
B18 B13 H13 122.8 . . ?
B14 B13 H13 122.4 . . ?
B17 B13 H13 121.6 . . ?
C11 B14 B15 58.8(3) . . ?
C11 B14 B18 105.6(4) . . ?
B15 B14 B18 107.8(4) . . ?
C11 B14 B13 59.8(3) . . ?
B15 B14 B13 108.7(4) . . ?
B18 B14 B13 59.9(3) . . ?
C11 B14 B19 105.0(3) . . ?
B15 B14 B19 59.6(3) . . ?
B18 B14 B19 60.0(3) . . ?
B13 B14 B19 108.1(4) . . ?
C11 B14 H14 124.0 . . ?
B15 B14 H14 121.6 . . ?
B18 B14 H14 122.3 . . ?
B13 B14 H14 120.9 . . ?
B19 B14 H14 122.6 . . ?
C11 B15 B19 105.8(4) . . ?
C11 B15 B14 58.7(3) . . ?
B19 B15 B14 60.7(3) . . ?
C11 B15 B20 105.1(4) . . ?
B19 B15 B20 61.0(3) . . ?
B14 B15 B20 109.1(4) . . ?
C11 B15 B16 59.2(3) . . ?
B19 B15 B16 108.7(4) . . ?
B14 B15 B16 108.4(4) . . ?
B20 B15 B16 59.3(3) . . ?
C11 B15 H15 124.4 . . ?
B19 B15 H15 121.4 . . ?
B14 B15 H15 121.0 . . ?
B20 B15 H15 122.0 . . ?
B16 B15 H15 121.5 . . ?
C12 B16 C11 56.9(3) . . ?
C12 B16 B20 104.1(4) . . ?
C11 B16 B20 105.1(4) . . ?
C12 B16 B21 58.2(3) . . ?
C11 B16 B21 104.5(4) . . ?
B20 B16 B21 60.0(4) . . ?
C12 B16 B15 103.4(4) . . ?
C11 B16 B15 58.3(3) . . ?
B20 B16 B15 60.2(3) . . ?
B21 B16 B15 107.4(4) . . ?
C12 B16 H16 125.4 . . ?
C11 B16 H16 124.5 . . ?
B20 B16 H16 122.7 . . ?
B21 B16 H16 122.4 . . ?
B15 B16 H16 122.7 . . ?
C12 B17 B13 59.0(3) . . ?
C12 B17 B22 103.7(4) . . ?
B13 B17 B22 107.7(4) . . ?
C12 B17 B21 58.1(3) . . ?
B13 B17 B21 107.8(4) . . ?
B22 B17 B21 59.5(3) . . ?
C12 B17 B18 103.9(4) . . ?
B13 B17 B18 59.5(3) . . ?
B22 B17 B18 60.1(3) . . ?
B21 B17 B18 107.3(4) . . ?
C12 B17 H17 125.3 . . ?
B13 B17 H17 121.4 . . ?
B22 B17 H17 122.7 . . ?
B21 B17 H17 121.9 . . ?
B18 B17 H17 122.8 . . ?
B13 B18 B14 60.1(3) . . ?
B13 B18 B19 108.6(4) . . ?
B14 B18 B19 60.5(3) . . ?
B13 B18 B22 107.7(4) . . ?
B14 B18 B22 107.9(4) . . ?
B19 B18 B22 59.9(3) . . ?
B13 B18 B17 59.8(3) . . ?
B14 B18 B17 107.7(4) . . ?
B19 B18 B17 108.1(4) . . ?
B22 B18 B17 59.8(3) . . ?
B13 B18 H18 121.6 . . ?
B14 B18 H18 121.7 . . ?
B19 B18 H18 121.3 . . ?
B22 B18 H18 122.0 . . ?
B17 B18 H18 122.0 . . ?
B15 B19 B18 107.5(4) . . ?
B15 B19 B22 107.5(4) . . ?
B18 B19 B22 60.3(3) . . ?
B15 B19 B14 59.7(3) . . ?
B18 B19 B14 59.5(3) . . ?
B22 B19 B14 107.4(4) . . ?
B15 B19 B20 59.7(3) . . ?
B18 B19 B20 107.9(4) . . ?
B22 B19 B20 59.8(3) . . ?
B14 B19 B20 107.3(4) . . ?
B15 B19 H19 122.1 . . ?
B18 B19 H19 121.7 . . ?
B22 B19 H19 121.9 . . ?
B14 B19 H19 122.3 . . ?
B20 B19 H19 122.0 . . ?
B16 B20 B21 60.3(4) . . ?
B16 B20 B15 60.5(3) . . ?
B21 B20 B15 107.9(4) . . ?
B16 B20 B22 108.3(4) . . ?
B21 B20 B22 59.9(4) . . ?
B15 B20 B22 107.1(4) . . ?
B16 B20 B19 108.2(4) . . ?
B21 B20 B19 107.7(4) . . ?
B15 B20 B19 59.3(3) . . ?
B22 B20 B19 59.7(3) . . ?
B16 B20 H20 121.1 . . ?
B21 B20 H20 121.7 . . ?
B15 B20 H20 122.2 . . ?
B22 B20 H20 122.0 . . ?
B19 B20 H20 122.0 . . ?
C12 B21 B20 104.9(4) . . ?
C12 B21 B16 59.4(3) . . ?
B20 B21 B16 59.8(3) . . ?
C12 B21 B22 104.4(4) . . ?
B20 B21 B22 60.7(3) . . ?
B16 B21 B22 108.5(4) . . ?
C12 B21 B17 58.4(3) . . ?
B20 B21 B17 109.0(4) . . ?
B16 B21 B17 108.9(4) . . ?
B22 B21 B17 60.2(3) . . ?
C12 B21 H21 124.9 . . ?
B20 B21 H21 122.0 . . ?
B16 B21 H21 121.0 . . ?
B22 B21 H21 122.2 . . ?
B17 B21 H21 121.0 . . ?
B21 B22 B19 107.9(4) . . ?
B21 B22 B20 59.4(4) . . ?
B19 B22 B20 60.5(3) . . ?
B21 B22 B17 60.3(3) . . ?
B19 B22 B17 108.2(4) . . ?
B20 B22 B17 108.1(4) . . ?
B21 B22 B18 108.0(4) . . ?
B19 B22 B18 59.7(3) . . ?
B20 B22 B18 108.0(4) . . ?
B17 B22 B18 60.1(3) . . ?
B21 B22 H22 121.9 . . ?
B19 B22 H22 121.6 . . ?
B20 B22 H22 121.7 . . ?
B17 B22 H22 121.5 . . ?
B18 B22 H22 121.8 . . ?
N1 C3 C1 115.0(3) . . ?
N1 C3 S1 129.9(3) . . ?
C1 C3 S1 114.9(3) . . ?
C9 C4 N1 117.7(3) . . ?
C9 C4 C5 120.3(3) . . ?
N1 C4 C5 121.8(3) . . ?
C4 C5 C6 117.9(3) . . ?
C4 C5 Ir1 98.6(3) . . ?
C6 C5 Ir1 100.8(3) . . ?
C4 C5 H5A 114(3) . . ?
C6 C5 H5A 119(3) . . ?
Ir1 C5 H5A 102(3) . . ?
N2 C6 C7 118.7(4) . . ?
N2 C6 C5 121.6(4) . . ?
C7 C6 C5 119.5(4) . . ?
C8 C7 C6 120.3(4) . . ?
C8 C7 H7A 119.8 . . ?
C6 C7 H7A 119.8 . . ?
C7 C8 C9 122.1(4) . . ?
C7 C8 H8A 119.0 . . ?
C9 C8 H8A 119.0 . . ?
C8 C9 C4 119.8(4) . . ?
C8 C9 H9A 120.1 . . ?
C4 C9 H9A 120.1 . . ?
N2 C10 C11 115.2(4) . . ?
N2 C10 S2 130.2(3) . . ?
C11 C10 S2 114.5(3) . . ?
C10 C11 C12 115.9(3) . . ?
C10 C11 B14 123.6(3) . . ?
C12 C11 B14 110.1(3) . . ?
C10 C11 B15 123.6(4) . . ?
C12 C11 B15 110.3(3) . . ?
B14 C11 B15 62.5(3) . . ?
C10 C11 B16 115.5(4) . . ?
C12 C11 B16 61.4(3) . . ?
B14 C11 B16 114.3(3) . . ?
B15 C11 B16 62.5(3) . . ?
C10 C11 B13 116.3(3) . . ?
C12 C11 B13 60.9(3) . . ?
B14 C11 B13 62.0(3) . . ?
B15 C11 B13 113.5(3) . . ?
B16 C11 B13 114.1(4) . . ?
C11 C12 B21 111.8(4) . . ?
C11 C12 B17 112.6(4) . . ?
B21 C12 B17 63.6(3) . . ?
C11 C12 B13 62.3(3) . . ?
B21 C12 B13 115.3(4) . . ?
B17 C12 B13 62.7(3) . . ?
C11 C12 B16 61.8(3) . . ?
B21 C12 B16 62.4(3) . . ?
B17 C12 B16 115.7(4) . . ?
B13 C12 B16 115.6(4) . . ?
C11 C12 H12A 113(3) . . ?
B21 C12 H12A 126(3) . . ?
B17 C12 H12A 122(3) . . ?
B13 C12 H12A 112(3) . . ?
B16 C12 H12A 117(3) . . ?
C17 C13 C14 108.6(4) . . ?
C17 C13 C18 126.6(4) . . ?
C14 C13 C18 124.5(4) . . ?
C17 C13 Ir1 72.9(2) . . ?
C14 C13 Ir1 70.3(2) . . ?
C18 C13 Ir1 127.3(3) . . ?
C13 C14 C15 107.1(3) . . ?
C13 C14 C19 125.2(4) . . ?
C15 C14 C19 127.4(4) . . ?
C13 C14 Ir1 71.7(2) . . ?
C15 C14 Ir1 70.7(2) . . ?
C19 C14 Ir1 128.0(3) . . ?
C16 C15 C14 108.5(4) . . ?
C16 C15 C20 125.4(4) . . ?
C14 C15 C20 126.0(4) . . ?
C16 C15 Ir1 71.2(2) . . ?
C14 C15 Ir1 71.1(2) . . ?
C20 C15 Ir1 125.0(3) . . ?
C15 C16 C17 107.2(4) . . ?
C15 C16 C21 126.0(4) . . ?
C17 C16 C21 126.4(4) . . ?
C15 C16 Ir1 70.6(2) . . ?
C17 C16 Ir1 73.2(2) . . ?
C21 C16 Ir1 126.6(3) . . ?
C13 C17 C16 108.4(3) . . ?
C13 C17 C22 125.5(4) . . ?
C16 C17 C22 125.7(4) . . ?
C13 C17 Ir1 70.0(2) . . ?
C16 C17 Ir1 69.2(2) . . ?
C22 C17 Ir1 132.3(3) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C1 C2 B7 143.9(3) . . . . ?
B4 C1 C2 B7 -1.2(4) . . . . ?
B5 C1 C2 B7 -68.8(4) . . . . ?
B6 C1 C2 B7 -108.7(4) . . . . ?
B3 C1 C2 B7 38.4(3) . . . . ?
C3 C1 C2 B11 -146.2(3) . . . . ?
B4 C1 C2 B11 68.7(4) . . . . ?
B5 C1 C2 B11 1.0(5) . . . . ?
B6 C1 C2 B11 -38.9(3) . . . . ?
B3 C1 C2 B11 108.2(4) . . . . ?
C3 C1 C2 B6 -107.4(4) . . . . ?
B4 C1 C2 B6 107.6(4) . . . . ?
B5 C1 C2 B6 39.9(3) . . . . ?
B3 C1 C2 B6 147.1(3) . . . . ?
C3 C1 C2 B3 105.5(3) . . . . ?
B4 C1 C2 B3 -39.6(3) . . . . ?
B5 C1 C2 B3 -107.3(3) . . . . ?
B6 C1 C2 B3 -147.1(3) . . . . ?
B7 C2 B3 C1 -139.5(3) . . . . ?
B11 C2 B3 C1 -103.2(3) . . . . ?
B6 C2 B3 C1 -32.3(3) . . . . ?
C1 C2 B3 B8 99.0(3) . . . . ?
B7 C2 B3 B8 -40.5(3) . . . . ?
B11 C2 B3 B8 -4.2(4) . . . . ?
B6 C2 B3 B8 66.7(4) . . . . ?
C1 C2 B3 B7 139.5(3) . . . . ?
B11 C2 B3 B7 36.3(3) . . . . ?
B6 C2 B3 B7 107.2(4) . . . . ?
C1 C2 B3 B4 36.4(3) . . . . ?
B7 C2 B3 B4 -103.1(3) . . . . ?
B11 C2 B3 B4 -66.8(4) . . . . ?
B6 C2 B3 B4 4.1(4) . . . . ?
C3 C1 B3 C2 -105.7(3) . . . . ?
B4 C1 B3 C2 137.2(3) . . . . ?
B5 C1 B3 C2 100.8(3) . . . . ?
B6 C1 B3 C2 31.5(3) . . . . ?
C3 C1 B3 B8 157.5(3) . . . . ?
C2 C1 B3 B8 -96.8(3) . . . . ?
B4 C1 B3 B8 40.4(3) . . . . ?
B5 C1 B3 B8 4.0(4) . . . . ?
B6 C1 B3 B8 -65.3(4) . . . . ?
C3 C1 B3 B7 -140.3(3) . . . . ?
C2 C1 B3 B7 -34.6(3) . . . . ?
B4 C1 B3 B7 102.6(3) . . . . ?
B5 C1 B3 B7 66.2(4) . . . . ?
B6 C1 B3 B7 -3.1(4) . . . . ?
C3 C1 B3 B4 117.1(4) . . . . ?
C2 C1 B3 B4 -137.2(3) . . . . ?
B5 C1 B3 B4 -36.4(3) . . . . ?
B6 C1 B3 B4 -105.7(4) . . . . ?
C3 C1 B4 B3 -101.8(4) . . . . ?
C2 C1 B4 B3 39.3(3) . . . . ?
B5 C1 B4 B3 142.7(3) . . . . ?
B6 C1 B4 B3 105.8(4) . . . . ?
C3 C1 B4 B9 155.7(3) . . . . ?
C2 C1 B4 B9 -63.2(4) . . . . ?
B5 C1 B4 B9 40.2(3) . . . . ?
B6 C1 B4 B9 3.3(4) . . . . ?
B3 C1 B4 B9 -102.5(4) . . . . ?
C3 C1 B4 B8 -141.6(3) . . . . ?
C2 C1 B4 B8 -0.6(4) . . . . ?
B5 C1 B4 B8 102.8(4) . . . . ?
B6 C1 B4 B8 65.9(4) . . . . ?
B3 C1 B4 B8 -39.9(3) . . . . ?
C3 C1 B4 B5 115.5(4) . . . . ?
C2 C1 B4 B5 -103.4(3) . . . . ?
B6 C1 B4 B5 -36.9(3) . . . . ?
B3 C1 B4 B5 -142.7(3) . . . . ?
C2 B3 B4 C1 -35.6(3) . . . . ?
B8 B3 B4 C1 -134.1(3) . . . . ?
B7 B3 B4 C1 -95.9(3) . . . . ?
C2 B3 B4 B9 61.3(4) . . . . ?
C1 B3 B4 B9 96.9(4) . . . . ?
B8 B3 B4 B9 -37.2(4) . . . . ?
B7 B3 B4 B9 1.0(5) . . . . ?
C2 B3 B4 B8 98.5(3) . . . . ?
C1 B3 B4 B8 134.1(3) . . . . ?
B7 B3 B4 B8 38.2(3) . . . . ?
C2 B3 B4 B5 -2.4(4) . . . . ?
C1 B3 B4 B5 33.2(3) . . . . ?
B8 B3 B4 B5 -100.9(4) . . . . ?
B7 B3 B4 B5 -62.7(4) . . . . ?
C3 C1 B5 B9 -154.1(4) . . . . ?
C2 C1 B5 B9 62.8(4) . . . . ?
B4 C1 B5 B9 -39.8(3) . . . . ?
B6 C1 B5 B9 102.1(4) . . . . ?
B3 C1 B5 B9 -3.9(4) . . . . ?
C3 C1 B5 B6 103.8(4) . . . . ?
C2 C1 B5 B6 -39.3(3) . . . . ?
B4 C1 B5 B6 -141.9(3) . . . . ?
B3 C1 B5 B6 -106.0(3) . . . . ?
C3 C1 B5 B4 -114.3(4) . . . . ?
C2 C1 B5 B4 102.6(3) . . . . ?
B6 C1 B5 B4 141.9(3) . . . . ?
B3 C1 B5 B4 35.9(3) . . . . ?
C3 C1 B5 B10 143.4(4) . . . . ?
C2 C1 B5 B10 0.3(5) . . . . ?
B4 C1 B5 B10 -102.3(4) . . . . ?
B6 C1 B5 B10 39.6(3) . . . . ?
B3 C1 B5 B10 -66.4(4) . . . . ?
B3 B4 B5 C1 -33.7(3) . . . . ?
B9 B4 B5 C1 -133.9(3) . . . . ?
B8 B4 B5 C1 -96.9(3) . . . . ?
C1 B4 B5 B9 133.9(3) . . . . ?
B3 B4 B5 B9 100.2(4) . . . . ?
B8 B4 B5 B9 37.1(3) . . . . ?
C1 B4 B5 B6 33.9(3) . . . . ?
B3 B4 B5 B6 0.2(4) . . . . ?
B9 B4 B5 B6 -100.0(4) . . . . ?
B8 B4 B5 B6 -63.0(4) . . . . ?
C1 B4 B5 B10 96.2(4) . . . . ?
B3 B4 B5 B10 62.5(4) . . . . ?
B9 B4 B5 B10 -37.7(3) . . . . ?
B8 B4 B5 B10 -0.6(5) . . . . ?
B7 C2 B6 C1 102.7(4) . . . . ?
B11 C2 B6 C1 139.4(3) . . . . ?
B3 C2 B6 C1 32.4(3) . . . . ?
C1 C2 B6 B10 -99.1(4) . . . . ?
B7 C2 B6 B10 3.6(5) . . . . ?
B11 C2 B6 B10 40.3(4) . . . . ?
B3 C2 B6 B10 -66.7(4) . . . . ?
C1 C2 B6 B11 -139.4(3) . . . . ?
B7 C2 B6 B11 -36.7(3) . . . . ?
B3 C2 B6 B11 -107.0(4) . . . . ?
C1 C2 B6 B5 -36.3(3) . . . . ?
B7 C2 B6 B5 66.4(4) . . . . ?
B11 C2 B6 B5 103.0(4) . . . . ?
B3 C2 B6 B5 -4.0(4) . . . . ?
C3 C1 B6 C2 105.1(3) . . . . ?
B4 C1 B6 C2 -100.2(3) . . . . ?
B5 C1 B6 C2 -137.3(3) . . . . ?
B3 C1 B6 C2 -31.5(3) . . . . ?
C3 C1 B6 B10 -158.2(3) . . . . ?
C2 C1 B6 B10 96.7(3) . . . . ?
B4 C1 B6 B10 -3.5(4) . . . . ?
B5 C1 B6 B10 -40.6(3) . . . . ?
B3 C1 B6 B10 65.2(4) . . . . ?
C3 C1 B6 B11 139.7(3) . . . . ?
C2 C1 B6 B11 34.7(3) . . . . ?
B4 C1 B6 B11 -65.5(4) . . . . ?
B5 C1 B6 B11 -102.7(4) . . . . ?
B3 C1 B6 B11 3.2(4) . . . . ?
C3 C1 B6 B5 -117.6(4) . . . . ?
C2 C1 B6 B5 137.3(3) . . . . ?
B4 C1 B6 B5 37.1(3) . . . . ?
B3 C1 B6 B5 105.8(4) . . . . ?
C1 B5 B6 C2 35.6(3) . . . . ?
B9 B5 B6 C2 -60.7(4) . . . . ?
B4 B5 B6 C2 2.1(4) . . . . ?
B10 B5 B6 C2 -98.3(3) . . . . ?
B9 B5 B6 C1 -96.3(4) . . . . ?
B4 B5 B6 C1 -33.5(3) . . . . ?
B10 B5 B6 C1 -133.9(3) . . . . ?
C1 B5 B6 B10 133.9(3) . . . . ?
B9 B5 B6 B10 37.6(3) . . . . ?
B4 B5 B6 B10 100.4(4) . . . . ?
C1 B5 B6 B11 95.8(3) . . . . ?
B9 B5 B6 B11 -0.5(4) . . . . ?
B4 B5 B6 B11 62.3(4) . . . . ?
B10 B5 B6 B11 -38.1(3) . . . . ?
C1 C2 B7 B8 2.4(4) . . . . ?
B11 C2 B7 B8 -102.8(4) . . . . ?
B6 C2 B7 B8 -66.4(4) . . . . ?
B3 C2 B7 B8 40.8(3) . . . . ?
C1 C2 B7 B3 -38.4(3) . . . . ?
B11 C2 B7 B3 -143.5(3) . . . . ?
B6 C2 B7 B3 -107.2(4) . . . . ?
C1 C2 B7 B12 65.4(4) . . . . ?
B11 C2 B7 B12 -39.7(3) . . . . ?
B6 C2 B7 B12 -3.4(4) . . . . ?
B3 C2 B7 B12 103.8(3) . . . . ?
C1 C2 B7 B11 105.1(3) . . . . ?
B6 C2 B7 B11 36.3(3) . . . . ?
B3 C2 B7 B11 143.5(3) . . . . ?
C1 B3 B7 C2 33.9(3) . . . . ?
B8 B3 B7 C2 133.2(3) . . . . ?
B4 B3 B7 C2 94.7(3) . . . . ?
C2 B3 B7 B8 -133.2(3) . . . . ?
C1 B3 B7 B8 -99.3(3) . . . . ?
B4 B3 B7 B8 -38.6(3) . . . . ?
C2 B3 B7 B12 -95.6(4) . . . . ?
C1 B3 B7 B12 -61.7(4) . . . . ?
B8 B3 B7 B12 37.6(3) . . . . ?
B4 B3 B7 B12 -1.0(5) . . . . ?
C2 B3 B7 B11 -32.3(3) . . . . ?
C1 B3 B7 B11 1.7(4) . . . . ?
B8 B3 B7 B11 101.0(4) . . . . ?
B4 B3 B7 B11 62.4(4) . . . . ?
C2 B7 B8 B3 -40.6(3) . . . . ?
B12 B7 B8 B3 -138.6(3) . . . . ?
B11 B7 B8 B3 -101.6(3) . . . . ?
C2 B7 B8 B4 -2.6(4) . . . . ?
B3 B7 B8 B4 38.0(3) . . . . ?
B12 B7 B8 B4 -100.6(4) . . . . ?
B11 B7 B8 B4 -63.6(4) . . . . ?
C2 B7 B8 B9 60.0(4) . . . . ?
B3 B7 B8 B9 100.6(4) . . . . ?
B12 B7 B8 B9 -38.0(3) . . . . ?
B11 B7 B8 B9 -0.9(4) . . . . ?
C2 B7 B8 B12 98.0(3) . . . . ?
B3 B7 B8 B12 138.6(3) . . . . ?
B11 B7 B8 B12 37.0(3) . . . . ?
C2 B3 B8 B7 39.5(3) . . . . ?
C1 B3 B8 B7 98.0(3) . . . . ?
B4 B3 B8 B7 137.2(4) . . . . ?
C2 B3 B8 B4 -97.7(3) . . . . ?
C1 B3 B8 B4 -39.2(3) . . . . ?
B7 B3 B8 B4 -137.2(4) . . . . ?
C2 B3 B8 B9 -60.9(4) . . . . ?
C1 B3 B8 B9 -2.4(4) . . . . ?
B7 B3 B8 B9 -100.4(4) . . . . ?
B4 B3 B8 B9 36.8(3) . . . . ?
C2 B3 B8 B12 2.6(4) . . . . ?
C1 B3 B8 B12 61.1(4) . . . . ?
B7 B3 B8 B12 -36.9(3) . . . . ?
B4 B3 B8 B12 100.3(4) . . . . ?
C1 B4 B8 B7 2.0(5) . . . . ?
B3 B4 B8 B7 -38.1(3) . . . . ?
B9 B4 B8 B7 100.4(4) . . . . ?
B5 B4 B8 B7 63.4(4) . . . . ?
C1 B4 B8 B3 40.1(3) . . . . ?
B9 B4 B8 B3 138.5(4) . . . . ?
B5 B4 B8 B3 101.5(4) . . . . ?
C1 B4 B8 B9 -98.4(4) . . . . ?
B3 B4 B8 B9 -138.5(4) . . . . ?
B5 B4 B8 B9 -37.0(3) . . . . ?
C1 B4 B8 B12 -60.9(4) . . . . ?
B3 B4 B8 B12 -101.0(4) . . . . ?
B9 B4 B8 B12 37.5(3) . . . . ?
B5 B4 B8 B12 0.5(4) . . . . ?
C1 B4 B9 B5 -39.4(3) . . . . ?
B3 B4 B9 B5 -102.0(4) . . . . ?
B8 B4 B9 B5 -138.9(4) . . . . ?
C1 B4 B9 B8 99.5(4) . . . . ?
B3 B4 B9 B8 36.9(3) . . . . ?
B5 B4 B9 B8 138.9(4) . . . . ?
C1 B4 B9 B12 61.9(5) . . . . ?
B3 B4 B9 B12 -0.7(5) . . . . ?
B8 B4 B9 B12 -37.5(4) . . . . ?
B5 B4 B9 B12 101.4(4) . . . . ?
C1 B4 B9 B10 -1.8(4) . . . . ?
B3 B4 B9 B10 -64.4(4) . . . . ?
B8 B4 B9 B10 -101.2(4) . . . . ?
B5 B4 B9 B10 37.7(3) . . . . ?
C1 B5 B9 B4 39.2(3) . . . . ?
B6 B5 B9 B4 101.1(3) . . . . ?
B10 B5 B9 B4 138.0(3) . . . . ?
C1 B5 B9 B8 2.1(5) . . . . ?
B6 B5 B9 B8 63.9(5) . . . . ?
B4 B5 B9 B8 -37.1(3) . . . . ?
B10 B5 B9 B8 100.9(4) . . . . ?
C1 B5 B9 B12 -61.5(4) . . . . ?
B6 B5 B9 B12 0.3(5) . . . . ?
B4 B5 B9 B12 -100.8(4) . . . . ?
B10 B5 B9 B12 37.2(3) . . . . ?
C1 B5 B9 B10 -98.8(3) . . . . ?
B6 B5 B9 B10 -37.0(3) . . . . ?
B4 B5 B9 B10 -138.0(3) . . . . ?
B7 B8 B9 B4 -100.3(4) . . . . ?
B3 B8 B9 B4 -37.0(3) . . . . ?
B12 B8 B9 B4 -138.0(4) . . . . ?
B7 B8 B9 B5 -63.1(4) . . . . ?
B3 B8 B9 B5 0.2(5) . . . . ?
B4 B8 B9 B5 37.2(3) . . . . ?
B12 B8 B9 B5 -100.8(4) . . . . ?
B7 B8 B9 B12 37.8(3) . . . . ?
B3 B8 B9 B12 101.0(4) . . . . ?
B4 B8 B9 B12 138.0(4) . . . . ?
B7 B8 B9 B10 0.8(5) . . . . ?
B3 B8 B9 B10 64.0(4) . . . . ?
B4 B8 B9 B10 101.0(4) . . . . ?
B12 B8 B9 B10 -37.0(4) . . . . ?
C2 B6 B10 B11 -39.3(3) . . . . ?
C1 B6 B10 B11 -98.0(4) . . . . ?
B5 B6 B10 B11 -137.3(4) . . . . ?
C2 B6 B10 B5 98.0(3) . . . . ?
C1 B6 B10 B5 39.3(3) . . . . ?
B11 B6 B10 B5 137.3(4) . . . . ?
C2 B6 B10 B9 60.7(4) . . . . ?
C1 B6 B10 B9 2.1(4) . . . . ?
B11 B6 B10 B9 100.1(4) . . . . ?
B5 B6 B10 B9 -37.2(3) . . . . ?
C2 B6 B10 B12 -2.3(5) . . . . ?
C1 B6 B10 B12 -60.9(4) . . . . ?
B11 B6 B10 B12 37.0(3) . . . . ?
B5 B6 B10 B12 -100.2(4) . . . . ?
C1 B5 B10 B6 -39.8(3) . . . . ?
B9 B5 B10 B6 -138.0(3) . . . . ?
B4 B5 B10 B6 -100.7(4) . . . . ?
C1 B5 B10 B11 -1.3(5) . . . . ?
B9 B5 B10 B11 -99.5(4) . . . . ?
B6 B5 B10 B11 38.5(4) . . . . ?
B4 B5 B10 B11 -62.3(5) . . . . ?
C1 B5 B10 B9 98.2(4) . . . . ?
B6 B5 B10 B9 138.0(3) . . . . ?
B4 B5 B10 B9 37.3(3) . . . . ?
C1 B5 B10 B12 61.4(5) . . . . ?
B9 B5 B10 B12 -36.8(3) . . . . ?
B6 B5 B10 B12 101.2(4) . . . . ?
B4 B5 B10 B12 0.5(5) . . . . ?
B4 B9 B10 B6 -0.2(4) . . . . ?
B5 B9 B10 B6 37.6(3) . . . . ?
B8 B9 B10 B6 -64.1(4) . . . . ?
B12 B9 B10 B6 -101.0(4) . . . . ?
B4 B9 B10 B11 63.6(5) . . . . ?
B5 B9 B10 B11 101.4(4) . . . . ?
B8 B9 B10 B11 -0.3(5) . . . . ?
B12 B9 B10 B11 -37.2(3) . . . . ?
B4 B9 B10 B5 -37.8(3) . . . . ?
B8 B9 B10 B5 -101.7(4) . . . . ?
B12 B9 B10 B5 -138.6(4) . . . . ?
B4 B9 B10 B12 100.8(4) . . . . ?
B5 B9 B10 B12 138.6(4) . . . . ?
B8 B9 B10 B12 36.9(3) . . . . ?
C1 C2 B11 B10 -1.8(5) . . . . ?
B7 C2 B11 B10 103.0(4) . . . . ?
B6 C2 B11 B10 -40.3(4) . . . . ?
B3 C2 B11 B10 67.2(4) . . . . ?
C1 C2 B11 B12 -65.1(4) . . . . ?
B7 C2 B11 B12 39.6(3) . . . . ?
B6 C2 B11 B12 -103.7(4) . . . . ?
B3 C2 B11 B12 3.9(4) . . . . ?
C1 C2 B11 B6 38.6(3) . . . . ?
B7 C2 B11 B6 143.3(3) . . . . ?
B3 C2 B11 B6 107.6(4) . . . . ?
C1 C2 B11 B7 -104.7(3) . . . . ?
B6 C2 B11 B7 -143.3(3) . . . . ?
B3 C2 B11 B7 -35.7(3) . . . . ?
B6 B10 B11 C2 40.1(3) . . . . ?
B5 B10 B11 C2 1.9(5) . . . . ?
B9 B10 B11 C2 -60.8(5) . . . . ?
B12 B10 B11 C2 -98.2(4) . . . . ?
B6 B10 B11 B12 138.3(4) . . . . ?
B5 B10 B11 B12 100.0(4) . . . . ?
B9 B10 B11 B12 37.3(3) . . . . ?
B5 B10 B11 B6 -38.3(4) . . . . ?
B9 B10 B11 B6 -101.0(4) . . . . ?
B12 B10 B11 B6 -138.3(4) . . . . ?
B6 B10 B11 B7 100.7(4) . . . . ?
B5 B10 B11 B7 62.4(5) . . . . ?
B9 B10 B11 B7 -0.3(5) . . . . ?
B12 B10 B11 B7 -37.6(3) . . . . ?
C1 B6 B11 C2 -34.1(3) . . . . ?
B10 B6 B11 C2 -133.4(4) . . . . ?
B5 B6 B11 C2 -94.8(3) . . . . ?
C2 B6 B11 B10 133.4(4) . . . . ?
C1 B6 B11 B10 99.2(4) . . . . ?
B5 B6 B11 B10 38.5(4) . . . . ?
C2 B6 B11 B12 95.4(4) . . . . ?
C1 B6 B11 B12 61.2(4) . . . . ?
B10 B6 B11 B12 -38.0(4) . . . . ?
B5 B6 B11 B12 0.5(4) . . . . ?
C2 B6 B11 B7 32.2(3) . . . . ?
C1 B6 B11 B7 -1.9(4) . . . . ?
B10 B6 B11 B7 -101.1(4) . . . . ?
B5 B6 B11 B7 -62.6(4) . . . . ?
B8 B7 B11 C2 96.5(3) . . . . ?
B3 B7 B11 C2 32.8(3) . . . . ?
B12 B7 B11 C2 134.1(3) . . . . ?
C2 B7 B11 B10 -95.8(4) . . . . ?
B8 B7 B11 B10 0.8(4) . . . . ?
B3 B7 B11 B10 -63.0(4) . . . . ?
B12 B7 B11 B10 38.3(3) . . . . ?
C2 B7 B11 B12 -134.1(3) . . . . ?
B8 B7 B11 B12 -37.6(3) . . . . ?
B3 B7 B11 B12 -101.3(4) . . . . ?
C2 B7 B11 B6 -32.7(3) . . . . ?
B8 B7 B11 B6 63.8(4) . . . . ?
B3 B7 B11 B6 0.1(5) . . . . ?
B12 B7 B11 B6 101.4(4) . . . . ?
C2 B7 B12 B11 39.0(3) . . . . ?
B8 B7 B12 B11 138.6(3) . . . . ?
B3 B7 B12 B11 101.3(4) . . . . ?
C2 B7 B12 B8 -99.6(3) . . . . ?
B3 B7 B12 B8 -37.2(3) . . . . ?
B11 B7 B12 B8 -138.6(3) . . . . ?
C2 B7 B12 B9 -61.8(4) . . . . ?
B8 B7 B12 B9 37.8(4) . . . . ?
B3 B7 B12 B9 0.5(5) . . . . ?
B11 B7 B12 B9 -100.8(4) . . . . ?
C2 B7 B12 B10 1.6(4) . . . . ?
B8 B7 B12 B10 101.2(4) . . . . ?
B3 B7 B12 B10 64.0(5) . . . . ?
B11 B7 B12 B10 -37.4(3) . . . . ?
C2 B11 B12 B7 -38.8(3) . . . . ?
B10 B11 B12 B7 -137.8(4) . . . . ?
B6 B11 B12 B7 -100.6(3) . . . . ?
C2 B11 B12 B8 -1.9(4) . . . . ?
B10 B11 B12 B8 -100.9(4) . . . . ?
B6 B11 B12 B8 -63.6(4) . . . . ?
B7 B11 B12 B8 36.9(3) . . . . ?
C2 B11 B12 B9 61.4(4) . . . . ?
B10 B11 B12 B9 -37.6(4) . . . . ?
B6 B11 B12 B9 -0.3(5) . . . . ?
B7 B11 B12 B9 100.2(4) . . . . ?
C2 B11 B12 B10 99.0(4) . . . . ?
B6 B11 B12 B10 37.3(3) . . . . ?
B7 B11 B12 B10 137.8(4) . . . . ?
B3 B8 B12 B7 37.0(3) . . . . ?
B4 B8 B12 B7 100.2(4) . . . . ?
B9 B8 B12 B7 137.4(4) . . . . ?
B7 B8 B12 B11 -37.5(3) . . . . ?
B3 B8 B12 B11 -0.5(4) . . . . ?
B4 B8 B12 B11 62.7(4) . . . . ?
B9 B8 B12 B11 99.9(4) . . . . ?
B7 B8 B12 B9 -137.4(4) . . . . ?
B3 B8 B12 B9 -100.4(4) . . . . ?
B4 B8 B12 B9 -37.2(3) . . . . ?
B7 B8 B12 B10 -100.4(4) . . . . ?
B3 B8 B12 B10 -63.4(4) . . . . ?
B4 B8 B12 B10 -0.2(5) . . . . ?
B9 B8 B12 B10 37.0(4) . . . . ?
B4 B9 B12 B7 0.1(5) . . . . ?
B5 B9 B12 B7 64.0(5) . . . . ?
B8 B9 B12 B7 -37.6(3) . . . . ?
B10 B9 B12 B7 101.3(4) . . . . ?
B4 B9 B12 B11 -63.9(5) . . . . ?
B5 B9 B12 B11 0.0(5) . . . . ?
B8 B9 B12 B11 -101.6(4) . . . . ?
B10 B9 B12 B11 37.2(3) . . . . ?
B4 B9 B12 B8 37.7(4) . . . . ?
B5 B9 B12 B8 101.6(4) . . . . ?
B10 B9 B12 B8 138.8(4) . . . . ?
B4 B9 B12 B10 -101.2(4) . . . . ?
B5 B9 B12 B10 -37.2(4) . . . . ?
B8 B9 B12 B10 -138.8(4) . . . . ?
B6 B10 B12 B7 0.5(5) . . . . ?
B11 B10 B12 B7 38.0(3) . . . . ?
B5 B10 B12 B7 -63.1(5) . . . . ?
B9 B10 B12 B7 -99.8(4) . . . . ?
B6 B10 B12 B11 -37.6(4) . . . . ?
B5 B10 B12 B11 -101.1(4) . . . . ?
B9 B10 B12 B11 -137.8(4) . . . . ?
B6 B10 B12 B8 63.4(5) . . . . ?
B11 B10 B12 B8 101.0(4) . . . . ?
B5 B10 B12 B8 -0.2(5) . . . . ?
B9 B10 B12 B8 -36.9(3) . . . . ?
B6 B10 B12 B9 100.3(4) . . . . ?
B11 B10 B12 B9 137.8(4) . . . . ?
B5 B10 B12 B9 36.7(3) . . . . ?
C12 B13 B14 C11 -35.4(3) . . . . ?
B18 B13 B14 C11 -134.2(4) . . . . ?
B17 B13 B14 C11 -96.2(4) . . . . ?
C12 B13 B14 B15 -1.4(4) . . . . ?
C11 B13 B14 B15 34.0(3) . . . . ?
B18 B13 B14 B15 -100.2(4) . . . . ?
B17 B13 B14 B15 -62.1(5) . . . . ?
C12 B13 B14 B18 98.9(4) . . . . ?
C11 B13 B14 B18 134.2(4) . . . . ?
B17 B13 B14 B18 38.1(4) . . . . ?
C12 B13 B14 B19 61.8(4) . . . . ?
C11 B13 B14 B19 97.1(4) . . . . ?
B18 B13 B14 B19 -37.1(3) . . . . ?
B17 B13 B14 B19 1.0(5) . . . . ?
B18 B14 B15 C11 -97.8(4) . . . . ?
B13 B14 B15 C11 -34.4(3) . . . . ?
B19 B14 B15 C11 -134.9(4) . . . . ?
C11 B14 B15 B19 134.9(4) . . . . ?
B18 B14 B15 B19 37.1(4) . . . . ?
B13 B14 B15 B19 100.5(4) . . . . ?
C11 B14 B15 B20 96.4(4) . . . . ?
B18 B14 B15 B20 -1.5(5) . . . . ?
B13 B14 B15 B20 62.0(5) . . . . ?
B19 B14 B15 B20 -38.5(4) . . . . ?
C11 B14 B15 B16 33.4(3) . . . . ?
B18 B14 B15 B16 -64.5(4) . . . . ?
B13 B14 B15 B16 -1.0(5) . . . . ?
B19 B14 B15 B16 -101.5(4) . . . . ?
C11 B15 B16 C12 36.1(3) . . . . ?
B19 B15 B16 C12 -61.5(4) . . . . ?
B14 B15 B16 C12 2.9(5) . . . . ?
B20 B15 B16 C12 -98.8(4) . . . . ?
B19 B15 B16 C11 -97.6(4) . . . . ?
B14 B15 B16 C11 -33.2(3) . . . . ?
B20 B15 B16 C11 -134.9(4) . . . . ?
C11 B15 B16 B20 134.9(4) . . . . ?
B19 B15 B16 B20 37.3(4) . . . . ?
B14 B15 B16 B20 101.7(4) . . . . ?
C11 B15 B16 B21 96.5(4) . . . . ?
B19 B15 B16 B21 -1.1(5) . . . . ?
B14 B15 B16 B21 63.4(5) . . . . ?
B20 B15 B16 B21 -38.4(4) . . . . ?
C11 B13 B17 C12 34.2(3) . . . . ?
B18 B13 B17 C12 132.7(4) . . . . ?
B14 B13 B17 C12 95.0(4) . . . . ?
C12 B13 B17 B22 -95.6(4) . . . . ?
C11 B13 B17 B22 -61.4(5) . . . . ?
B18 B13 B17 B22 37.2(4) . . . . ?
B14 B13 B17 B22 -0.6(5) . . . . ?
C12 B13 B17 B21 -32.8(4) . . . . ?
C11 B13 B17 B21 1.4(5) . . . . ?
B18 B13 B17 B21 100.0(4) . . . . ?
B14 B13 B17 B21 62.2(5) . . . . ?
C12 B13 B17 B18 -132.7(4) . . . . ?
C11 B13 B17 B18 -98.6(4) . . . . ?
B14 B13 B17 B18 -37.7(4) . . . . ?
C12 B13 B18 B14 -97.7(4) . . . . ?
C11 B13 B18 B14 -38.9(3) . . . . ?
B17 B13 B18 B14 -137.9(4) . . . . ?
C12 B13 B18 B19 -60.3(5) . . . . ?
C11 B13 B18 B19 -1.5(5) . . . . ?
B14 B13 B18 B19 37.4(4) . . . . ?
B17 B13 B18 B19 -100.5(4) . . . . ?
C12 B13 B18 B22 3.1(5) . . . . ?
C11 B13 B18 B22 61.9(5) . . . . ?
B14 B13 B18 B22 100.9(4) . . . . ?
B17 B13 B18 B22 -37.1(4) . . . . ?
C12 B13 B18 B17 40.2(4) . . . . ?
C11 B13 B18 B17 99.0(4) . . . . ?
B14 B13 B18 B17 137.9(4) . . . . ?
C11 B14 B18 B13 40.0(3) . . . . ?
B15 B14 B18 B13 101.7(4) . . . . ?
B19 B14 B18 B13 138.6(4) . . . . ?
C11 B14 B18 B19 -98.5(4) . . . . ?
B15 B14 B18 B19 -36.9(3) . . . . ?
B13 B14 B18 B19 -138.6(4) . . . . ?
C11 B14 B18 B22 -60.5(4) . . . . ?
B15 B14 B18 B22 1.1(5) . . . . ?
B13 B14 B18 B22 -100.6(4) . . . . ?
B19 B14 B18 B22 38.0(4) . . . . ?
C11 B14 B18 B17 2.6(5) . . . . ?
B15 B14 B18 B17 64.3(5) . . . . ?
B13 B14 B18 B17 -37.4(4) . . . . ?
B19 B14 B18 B17 101.1(4) . . . . ?
C12 B17 B18 B13 -40.4(4) . . . . ?
B22 B17 B18 B13 -138.4(4) . . . . ?
B21 B17 B18 B13 -100.8(4) . . . . ?
C12 B17 B18 B14 -2.8(5) . . . . ?
B13 B17 B18 B14 37.6(4) . . . . ?
B22 B17 B18 B14 -100.8(4) . . . . ?
B21 B17 B18 B14 -63.3(5) . . . . ?
C12 B17 B18 B19 61.0(5) . . . . ?
B13 B17 B18 B19 101.5(4) . . . . ?
B22 B17 B18 B19 -36.9(3) . . . . ?
B21 B17 B18 B19 0.6(5) . . . . ?
C12 B17 B18 B22 98.0(4) . . . . ?
B13 B17 B18 B22 138.4(4) . . . . ?
B21 B17 B18 B22 37.5(4) . . . . ?
C11 B15 B19 B18 2.2(5) . . . . ?
B14 B15 B19 B18 -36.8(4) . . . . ?
B20 B15 B19 B18 100.9(4) . . . . ?
B16 B15 B19 B18 64.4(5) . . . . ?
C11 B15 B19 B22 -61.4(4) . . . . ?
B14 B15 B19 B22 -100.4(4) . . . . ?
B20 B15 B19 B22 37.4(4) . . . . ?
B16 B15 B19 B22 0.8(5) . . . . ?
C11 B15 B19 B14 38.9(3) . . . . ?
B20 B15 B19 B14 137.7(4) . . . . ?
B16 B15 B19 B14 101.2(4) . . . . ?
C11 B15 B19 B20 -98.8(4) . . . . ?
B14 B15 B19 B20 -137.7(4) . . . . ?
B16 B15 B19 B20 -36.5(4) . . . . ?
B13 B18 B19 B15 -0.4(5) . . . . ?
B14 B18 B19 B15 36.9(3) . . . . ?
B22 B18 B19 B15 -100.5(4) . . . . ?
B17 B18 B19 B15 -63.7(5) . . . . ?
B13 B18 B19 B22 100.2(4) . . . . ?
B14 B18 B19 B22 137.4(4) . . . . ?
B17 B18 B19 B22 36.8(3) . . . . ?
B13 B18 B19 B14 -37.2(4) . . . . ?
B22 B18 B19 B14 -137.4(4) . . . . ?
B17 B18 B19 B14 -100.5(4) . . . . ?
B13 B18 B19 B20 62.7(5) . . . . ?
B14 B18 B19 B20 99.9(4) . . . . ?
B22 B18 B19 B20 -37.5(3) . . . . ?
B17 B18 B19 B20 -0.7(5) . . . . ?
C11 B14 B19 B15 -38.9(3) . . . . ?
B18 B14 B19 B15 -138.5(4) . . . . ?
B13 B14 B19 B15 -101.5(4) . . . . ?
C11 B14 B19 B18 99.6(4) . . . . ?
B15 B14 B19 B18 138.5(4) . . . . ?
B13 B14 B19 B18 37.0(3) . . . . ?
C11 B14 B19 B22 61.6(4) . . . . ?
B15 B14 B19 B22 100.5(4) . . . . ?
B18 B14 B19 B22 -38.1(4) . . . . ?
B13 B14 B19 B22 -1.0(5) . . . . ?
C11 B14 B19 B20 -1.4(5) . . . . ?
B15 B14 B19 B20 37.5(4) . . . . ?
B18 B14 B19 B20 -101.0(4) . . . . ?
B13 B14 B19 B20 -64.0(5) . . . . ?
C12 B16 B20 B21 -39.3(4) . . . . ?
C11 B16 B20 B21 -98.2(5) . . . . ?
B15 B16 B20 B21 -136.8(4) . . . . ?
C12 B16 B20 B15 97.5(4) . . . . ?
C11 B16 B20 B15 38.6(4) . . . . ?
B21 B16 B20 B15 136.8(4) . . . . ?
C12 B16 B20 B22 -2.1(5) . . . . ?
C11 B16 B20 B22 -61.1(5) . . . . ?
B21 B16 B20 B22 37.2(4) . . . . ?
B15 B16 B20 B22 -99.7(4) . . . . ?
C12 B16 B20 B19 61.1(5) . . . . ?
C11 B16 B20 B19 2.2(6) . . . . ?
B21 B16 B20 B19 100.4(5) . . . . ?
B15 B16 B20 B19 -36.4(4) . . . . ?
C11 B15 B20 B16 -39.1(4) . . . . ?
B19 B15 B20 B16 -139.0(4) . . . . ?
B14 B15 B20 B16 -100.6(4) . . . . ?
C11 B15 B20 B21 -0.4(5) . . . . ?
B19 B15 B20 B21 -100.4(4) . . . . ?
B14 B15 B20 B21 -62.0(5) . . . . ?
B16 B15 B20 B21 38.6(4) . . . . ?
C11 B15 B20 B22 62.7(5) . . . . ?
B19 B15 B20 B22 -37.2(4) . . . . ?
B14 B15 B20 B22 1.2(5) . . . . ?
B16 B15 B20 B22 101.8(5) . . . . ?
C11 B15 B20 B19 99.9(4) . . . . ?
B14 B15 B20 B19 38.4(4) . . . . ?
B16 B15 B20 B19 139.0(4) . . . . ?
B15 B19 B20 B16 37.0(4) . . . . ?
B18 B19 B20 B16 -63.3(5) . . . . ?
B22 B19 B20 B16 -101.0(5) . . . . ?
B14 B19 B20 B16 -0.5(6) . . . . ?
B15 B19 B20 B21 100.7(4) . . . . ?
B18 B19 B20 B21 0.4(5) . . . . ?
B22 B19 B20 B21 -37.3(4) . . . . ?
B14 B19 B20 B21 63.2(5) . . . . ?
B18 B19 B20 B15 -100.2(4) . . . . ?
B22 B19 B20 B15 -138.0(4) . . . . ?
B14 B19 B20 B15 -37.5(3) . . . . ?
B15 B19 B20 B22 138.0(4) . . . . ?
B18 B19 B20 B22 37.7(3) . . . . ?
B14 B19 B20 B22 100.5(4) . . . . ?
B16 B20 B21 C12 40.1(4) . . . . ?
B15 B20 B21 C12 1.4(5) . . . . ?
B22 B20 B21 C12 -98.4(4) . . . . ?
B19 B20 B21 C12 -61.2(5) . . . . ?
B15 B20 B21 B16 -38.7(4) . . . . ?
B22 B20 B21 B16 -138.5(4) . . . . ?
B19 B20 B21 B16 -101.3(4) . . . . ?
B16 B20 B21 B22 138.5(4) . . . . ?
B15 B20 B21 B22 99.8(4) . . . . ?
B19 B20 B21 B22 37.2(4) . . . . ?
B16 B20 B21 B17 101.3(4) . . . . ?
B15 B20 B21 B17 62.5(5) . . . . ?
B22 B20 B21 B17 -37.2(4) . . . . ?
B19 B20 B21 B17 0.0(5) . . . . ?
C11 B16 B21 C12 -34.4(3) . . . . ?
B20 B16 B21 C12 -133.7(4) . . . . ?
B15 B16 B21 C12 -95.2(4) . . . . ?
C12 B16 B21 B20 133.7(4) . . . . ?
C11 B16 B21 B20 99.3(4) . . . . ?
B15 B16 B21 B20 38.5(4) . . . . ?
C12 B16 B21 B22 96.2(4) . . . . ?
C11 B16 B21 B22 61.7(5) . . . . ?
B20 B16 B21 B22 -37.5(4) . . . . ?
B15 B16 B21 B22 0.9(5) . . . . ?
C12 B16 B21 B17 32.2(4) . . . . ?
C11 B16 B21 B17 -2.2(5) . . . . ?
B20 B16 B21 B17 -101.5(5) . . . . ?
B15 B16 B21 B17 -63.0(5) . . . . ?
B13 B17 B21 C12 33.1(4) . . . . ?
B22 B17 B21 C12 133.6(4) . . . . ?
B18 B17 B21 C12 95.8(4) . . . . ?
C12 B17 B21 B20 -96.2(4) . . . . ?
B13 B17 B21 B20 -63.1(5) . . . . ?
B22 B17 B21 B20 37.4(4) . . . . ?
B18 B17 B21 B20 -0.4(5) . . . . ?
C12 B17 B21 B16 -32.6(4) . . . . ?
B13 B17 B21 B16 0.5(6) . . . . ?
B22 B17 B21 B16 101.0(5) . . . . ?
B18 B17 B21 B16 63.2(5) . . . . ?
C12 B17 B21 B22 -133.6(4) . . . . ?
B13 B17 B21 B22 -100.5(4) . . . . ?
B18 B17 B21 B22 -37.8(4) . . . . ?
C12 B21 B22 B19 61.6(5) . . . . ?
B20 B21 B22 B19 -37.6(4) . . . . ?
B16 B21 B22 B19 -0.5(5) . . . . ?
B17 B21 B22 B19 101.2(4) . . . . ?
C12 B21 B22 B20 99.2(4) . . . . ?
B16 B21 B22 B20 37.1(4) . . . . ?
B17 B21 B22 B20 138.7(4) . . . . ?
C12 B21 B22 B17 -39.5(4) . . . . ?
B20 B21 B22 B17 -138.7(4) . . . . ?
B16 B21 B22 B17 -101.6(4) . . . . ?
C12 B21 B22 B18 -1.5(5) . . . . ?
B20 B21 B22 B18 -100.7(4) . . . . ?
B16 B21 B22 B18 -63.6(5) . . . . ?
B17 B21 B22 B18 38.0(4) . . . . ?
B15 B19 B22 B21 -0.2(5) . . . . ?
B18 B19 B22 B21 -100.8(4) . . . . ?
B14 B19 B22 B21 -63.1(5) . . . . ?
B20 B19 B22 B21 37.1(4) . . . . ?
B15 B19 B22 B20 -37.3(4) . . . . ?
B18 B19 B22 B20 -137.9(4) . . . . ?
B14 B19 B22 B20 -100.2(4) . . . . ?
B15 B19 B22 B17 63.6(5) . . . . ?
B18 B19 B22 B17 -37.0(4) . . . . ?
B14 B19 B22 B17 0.7(5) . . . . ?
B20 B19 B22 B17 100.9(4) . . . . ?
B15 B19 B22 B18 100.6(4) . . . . ?
B14 B19 B22 B18 37.7(3) . . . . ?
B20 B19 B22 B18 137.9(4) . . . . ?
B16 B20 B22 B21 -37.3(4) . . . . ?
B15 B20 B22 B21 -101.2(4) . . . . ?
B19 B20 B22 B21 -138.2(4) . . . . ?
B16 B20 B22 B19 100.9(4) . . . . ?
B21 B20 B22 B19 138.2(4) . . . . ?
B15 B20 B22 B19 37.0(4) . . . . ?
B16 B20 B22 B17 -0.3(6) . . . . ?
B21 B20 B22 B17 37.1(4) . . . . ?
B15 B20 B22 B17 -64.1(5) . . . . ?
B19 B20 B22 B17 -101.1(4) . . . . ?
B16 B20 B22 B18 63.4(5) . . . . ?
B21 B20 B22 B18 100.7(4) . . . . ?
B15 B20 B22 B18 -0.5(5) . . . . ?
B19 B20 B22 B18 -37.5(4) . . . . ?
C12 B17 B22 B21 39.2(4) . . . . ?
B13 B17 B22 B21 100.6(4) . . . . ?
B18 B17 B22 B21 137.5(4) . . . . ?
C12 B17 B22 B19 -61.5(5) . . . . ?
B13 B17 B22 B19 -0.1(5) . . . . ?
B21 B17 B22 B19 -100.7(4) . . . . ?
B18 B17 B22 B19 36.9(4) . . . . ?
C12 B17 B22 B20 2.6(5) . . . . ?
B13 B17 B22 B20 63.9(5) . . . . ?
B21 B17 B22 B20 -36.6(4) . . . . ?
B18 B17 B22 B20 100.9(4) . . . . ?
C12 B17 B22 B18 -98.3(4) . . . . ?
B13 B17 B22 B18 -36.9(4) . . . . ?
B21 B17 B22 B18 -137.5(4) . . . . ?
B13 B18 B22 B21 -1.1(5) . . . . ?
B14 B18 B22 B21 62.4(5) . . . . ?
B19 B18 B22 B21 100.6(4) . . . . ?
B17 B18 B22 B21 -38.1(4) . . . . ?
B13 B18 B22 B19 -101.7(4) . . . . ?
B14 B18 B22 B19 -38.2(3) . . . . ?
B17 B18 B22 B19 -138.7(4) . . . . ?
B13 B18 B22 B20 -63.8(5) . . . . ?
B14 B18 B22 B20 -0.4(5) . . . . ?
B19 B18 B22 B20 37.8(4) . . . . ?
B17 B18 B22 B20 -100.9(4) . . . . ?
B13 B18 B22 B17 37.0(4) . . . . ?
B14 B18 B22 B17 100.5(4) . . . . ?
B19 B18 B22 B17 138.7(4) . . . . ?
C4 N1 C3 C1 173.1(3) . . . . ?
C4 N1 C3 S1 -11.2(6) . . . . ?
C2 C1 C3 N1 -7.4(5) . . . . ?
B4 C1 C3 N1 132.1(4) . . . . ?
B5 C1 C3 N1 -149.1(4) . . . . ?
B6 C1 C3 N1 -75.9(4) . . . . ?
B3 C1 C3 N1 60.7(4) . . . . ?
C2 C1 C3 S1 176.3(3) . . . . ?
B4 C1 C3 S1 -44.3(5) . . . . ?
B5 C1 C3 S1 34.5(5) . . . . ?
B6 C1 C3 S1 107.8(3) . . . . ?
B3 C1 C3 S1 -115.7(3) . . . . ?
Ir1 S1 C3 N1 -11.8(4) . . . . ?
Ir1 S1 C3 C1 163.9(2) . . . . ?
C3 N1 C4 C9 155.5(4) . . . . ?
C3 N1 C4 C5 -29.6(6) . . . . ?
C9 C4 C5 C6 3.8(6) . . . . ?
N1 C4 C5 C6 -171.1(3) . . . . ?
C9 C4 C5 Ir1 -103.3(3) . . . . ?
N1 C4 C5 Ir1 81.8(4) . . . . ?
C10 N2 C6 C7 -152.7(4) . . . . ?
C10 N2 C6 C5 33.4(6) . . . . ?
C4 C5 C6 N2 172.1(4) . . . . ?
Ir1 C5 C6 N2 -82.0(4) . . . . ?
C4 C5 C6 C7 -1.7(6) . . . . ?
Ir1 C5 C6 C7 104.1(4) . . . . ?
N2 C6 C7 C8 -174.8(4) . . . . ?
C5 C6 C7 C8 -0.7(6) . . . . ?
C6 C7 C8 C9 1.3(6) . . . . ?
C7 C8 C9 C4 0.8(6) . . . . ?
N1 C4 C9 C8 171.7(4) . . . . ?
C5 C4 C9 C8 -3.4(6) . . . . ?
C6 N2 C10 C11 -173.3(4) . . . . ?
C6 N2 C10 S2 10.5(6) . . . . ?
Ir1 S2 C10 N2 6.8(4) . . . . ?
Ir1 S2 C10 C11 -169.4(3) . . . . ?
N2 C10 C11 C12 -9.8(5) . . . . ?
S2 C10 C11 C12 167.0(3) . . . . ?
N2 C10 C11 B14 131.5(4) . . . . ?
S2 C10 C11 B14 -51.7(5) . . . . ?
N2 C10 C11 B15 -151.4(4) . . . . ?
S2 C10 C11 B15 25.4(5) . . . . ?
N2 C10 C11 B16 -78.7(5) . . . . ?
S2 C10 C11 B16 98.1(4) . . . . ?
N2 C10 C11 B13 58.9(5) . . . . ?
S2 C10 C11 B13 -124.2(3) . . . . ?
B15 B14 C11 C10 113.8(5) . . . . ?
B18 B14 C11 C10 -144.5(4) . . . . ?
B13 B14 C11 C10 -104.5(5) . . . . ?
B19 B14 C11 C10 153.0(4) . . . . ?
B15 B14 C11 C12 -103.0(4) . . . . ?
B18 B14 C11 C12 -1.3(4) . . . . ?
B13 B14 C11 C12 38.7(3) . . . . ?
B19 B14 C11 C12 -63.8(4) . . . . ?
B18 B14 C11 B15 101.7(4) . . . . ?
B13 B14 C11 B15 141.8(4) . . . . ?
B19 B14 C11 B15 39.2(3) . . . . ?
B15 B14 C11 B16 -36.3(4) . . . . ?
B18 B14 C11 B16 65.4(5) . . . . ?
B13 B14 C11 B16 105.5(4) . . . . ?
B19 B14 C11 B16 3.0(5) . . . . ?
B15 B14 C11 B13 -141.8(4) . . . . ?
B18 B14 C11 B13 -40.1(3) . . . . ?
B19 B14 C11 B13 -102.5(4) . . . . ?
B19 B15 C11 C10 -153.7(4) . . . . ?
B14 B15 C11 C10 -113.8(4) . . . . ?
B20 B15 C11 C10 142.7(4) . . . . ?
B16 B15 C11 C10 103.6(5) . . . . ?
B19 B15 C11 C12 62.8(4) . . . . ?
B14 B15 C11 C12 102.8(4) . . . . ?
B20 B15 C11 C12 -0.7(5) . . . . ?
B16 B15 C11 C12 -39.8(4) . . . . ?
B19 B15 C11 B14 -39.9(3) . . . . ?
B20 B15 C11 B14 -103.5(4) . . . . ?
B16 B15 C11 B14 -142.6(4) . . . . ?
B19 B15 C11 B16 102.6(4) . . . . ?
B14 B15 C11 B16 142.6(4) . . . . ?
B20 B15 C11 B16 39.1(4) . . . . ?
B19 B15 C11 B13 -3.3(5) . . . . ?
B14 B15 C11 B13 36.6(4) . . . . ?
B20 B15 C11 B13 -66.9(4) . . . . ?
B16 B15 C11 B13 -106.0(4) . . . . ?
C12 B16 C11 C10 106.9(4) . . . . ?
B20 B16 C11 C10 -155.9(4) . . . . ?
B21 B16 C11 C10 141.9(4) . . . . ?
B15 B16 C11 C10 -116.3(4) . . . . ?
B20 B16 C11 C12 97.3(5) . . . . ?
B21 B16 C11 C12 35.0(4) . . . . ?
B15 B16 C11 C12 136.8(4) . . . . ?
C12 B16 C11 B14 -100.5(4) . . . . ?
B20 B16 C11 B14 -3.3(6) . . . . ?
B21 B16 C11 B14 -65.5(5) . . . . ?
B15 B16 C11 B14 36.3(4) . . . . ?
C12 B16 C11 B15 -136.8(4) . . . . ?
B20 B16 C11 B15 -39.5(4) . . . . ?
B21 B16 C11 B15 -101.8(4) . . . . ?
C12 B16 C11 B13 -31.7(4) . . . . ?
B20 B16 C11 B13 65.5(5) . . . . ?
B21 B16 C11 B13 3.3(5) . . . . ?
B15 B16 C11 B13 105.1(4) . . . . ?
C12 B13 C11 C10 -106.4(4) . . . . ?
B18 B13 C11 C10 155.7(4) . . . . ?
B14 B13 C11 C10 115.9(4) . . . . ?
B17 B13 C11 C10 -141.2(4) . . . . ?
B18 B13 C11 C12 -97.9(4) . . . . ?
B14 B13 C11 C12 -137.7(4) . . . . ?
B17 B13 C11 C12 -34.9(3) . . . . ?
C12 B13 C11 B14 137.7(4) . . . . ?
B18 B13 C11 B14 39.9(3) . . . . ?
B17 B13 C11 B14 102.9(4) . . . . ?
C12 B13 C11 B15 101.0(4) . . . . ?
B18 B13 C11 B15 3.1(5) . . . . ?
B14 B13 C11 B15 -36.8(4) . . . . ?
B17 B13 C11 B15 66.1(5) . . . . ?
C12 B13 C11 B16 31.9(4) . . . . ?
B18 B13 C11 B16 -66.0(5) . . . . ?
B14 B13 C11 B16 -105.9(4) . . . . ?
B17 B13 C11 B16 -3.0(5) . . . . ?
C10 C11 C12 B21 -144.9(4) . . . . ?
B14 C11 C12 B21 68.8(5) . . . . ?
B15 C11 C12 B21 1.7(5) . . . . ?
B16 C11 C12 B21 -38.6(4) . . . . ?
B13 C11 C12 B21 108.0(4) . . . . ?
C10 C11 C12 B17 145.8(4) . . . . ?
B14 C11 C12 B17 -0.5(5) . . . . ?
B15 C11 C12 B17 -67.7(5) . . . . ?
B16 C11 C12 B17 -108.0(4) . . . . ?
B13 C11 C12 B17 38.7(4) . . . . ?
C10 C11 C12 B13 107.1(4) . . . . ?
B14 C11 C12 B13 -39.2(4) . . . . ?
B15 C11 C12 B13 -106.3(4) . . . . ?
B16 C11 C12 B13 -146.7(4) . . . . ?
C10 C11 C12 B16 -106.2(4) . . . . ?
B14 C11 C12 B16 107.4(4) . . . . ?
B15 C11 C12 B16 40.3(4) . . . . ?
B13 C11 C12 B16 146.7(4) . . . . ?
B20 B21 C12 C11 -1.9(5) . . . . ?
B16 B21 C12 C11 38.4(4) . . . . ?
B22 B21 C12 C11 -64.8(5) . . . . ?
B17 B21 C12 C11 -105.3(4) . . . . ?
B20 B21 C12 B17 103.4(4) . . . . ?
B16 B21 C12 B17 143.6(4) . . . . ?
B22 B21 C12 B17 40.4(4) . . . . ?
B20 B21 C12 B13 66.7(5) . . . . ?
B16 B21 C12 B13 107.0(4) . . . . ?
B22 B21 C12 B13 3.8(6) . . . . ?
B17 B21 C12 B13 -36.6(4) . . . . ?
B20 B21 C12 B16 -40.3(4) . . . . ?
B22 B21 C12 B16 -103.2(4) . . . . ?
B17 B21 C12 B16 -143.6(4) . . . . ?
B13 B17 C12 C11 -38.5(4) . . . . ?
B22 B17 C12 C11 64.2(5) . . . . ?
B21 B17 C12 C11 104.1(4) . . . . ?
B18 B17 C12 C11 2.1(5) . . . . ?
B13 B17 C12 B21 -142.6(4) . . . . ?
B22 B17 C12 B21 -39.9(4) . . . . ?
B18 B17 C12 B21 -101.9(4) . . . . ?
B22 B17 C12 B13 102.7(4) . . . . ?
B21 B17 C12 B13 142.6(4) . . . . ?
B18 B17 C12 B13 40.7(4) . . . . ?
B13 B17 C12 B16 -106.9(4) . . . . ?
B22 B17 C12 B16 -4.2(5) . . . . ?
B21 B17 C12 B16 35.7(4) . . . . ?
B18 B17 C12 B16 -66.3(5) . . . . ?
B18 B13 C12 C11 98.1(4) . . . . ?
B14 B13 C12 C11 36.0(3) . . . . ?
B17 B13 C12 C11 139.5(4) . . . . ?
C11 B13 C12 B21 -102.5(4) . . . . ?
B18 B13 C12 B21 -4.4(5) . . . . ?
B14 B13 C12 B21 -66.5(5) . . . . ?
B17 B13 C12 B21 37.0(4) . . . . ?
C11 B13 C12 B17 -139.5(4) . . . . ?
B18 B13 C12 B17 -41.4(4) . . . . ?
B14 B13 C12 B17 -103.5(4) . . . . ?
C11 B13 C12 B16 -32.5(4) . . . . ?
B18 B13 C12 B16 65.6(5) . . . . ?
B14 B13 C12 B16 3.5(5) . . . . ?
B17 B13 C12 B16 107.0(4) . . . . ?
B20 B16 C12 C11 -99.0(4) . . . . ?
B21 B16 C12 C11 -139.2(4) . . . . ?
B15 B16 C12 C11 -36.8(3) . . . . ?
C11 B16 C12 B21 139.2(4) . . . . ?
B20 B16 C12 B21 40.2(4) . . . . ?
B15 B16 C12 B21 102.4(4) . . . . ?
C11 B16 C12 B17 103.1(4) . . . . ?
B20 B16 C12 B17 4.1(5) . . . . ?
B21 B16 C12 B17 -36.1(4) . . . . ?
B15 B16 C12 B17 66.3(5) . . . . ?
C11 B16 C12 B13 32.6(4) . . . . ?
B20 B16 C12 B13 -66.3(5) . . . . ?
B21 B16 C12 B13 -106.5(4) . . . . ?
B15 B16 C12 B13 -4.1(5) . . . . ?
C17 C13 C14 C15 -1.1(4) . . . . ?
C18 C13 C14 C15 -175.4(4) . . . . ?
Ir1 C13 C14 C15 62.2(3) . . . . ?
C17 C13 C14 C19 172.6(4) . . . . ?
C18 C13 C14 C19 -1.7(7) . . . . ?
Ir1 C13 C14 C19 -124.1(4) . . . . ?
C17 C13 C14 Ir1 -63.3(3) . . . . ?
C18 C13 C14 Ir1 122.4(4) . . . . ?
C13 C14 C15 C16 -1.1(4) . . . . ?
C19 C14 C15 C16 -174.7(4) . . . . ?
Ir1 C14 C15 C16 61.7(3) . . . . ?
C13 C14 C15 C20 177.1(4) . . . . ?
C19 C14 C15 C20 3.5(7) . . . . ?
Ir1 C14 C15 C20 -120.1(4) . . . . ?
C13 C14 C15 Ir1 -62.8(3) . . . . ?
C19 C14 C15 Ir1 123.6(4) . . . . ?
C14 C15 C16 C17 2.9(4) . . . . ?
C20 C15 C16 C17 -175.3(4) . . . . ?
Ir1 C15 C16 C17 64.5(3) . . . . ?
C14 C15 C16 C21 176.6(4) . . . . ?
C20 C15 C16 C21 -1.6(7) . . . . ?
Ir1 C15 C16 C21 -121.8(4) . . . . ?
C14 C15 C16 Ir1 -61.7(3) . . . . ?
C20 C15 C16 Ir1 120.2(4) . . . . ?
C14 C13 C17 C16 2.9(4) . . . . ?
C18 C13 C17 C16 177.1(4) . . . . ?
Ir1 C13 C17 C16 -58.7(3) . . . . ?
C14 C13 C17 C22 -170.0(4) . . . . ?
C18 C13 C17 C22 4.2(7) . . . . ?
Ir1 C13 C17 C22 128.4(4) . . . . ?
C14 C13 C17 Ir1 61.6(3) . . . . ?
C18 C13 C17 Ir1 -124.2(4) . . . . ?
C15 C16 C17 C13 -3.6(4) . . . . ?
C21 C16 C17 C13 -177.2(4) . . . . ?
Ir1 C16 C17 C13 59.3(3) . . . . ?
C15 C16 C17 C22 169.3(4) . . . . ?
C21 C16 C17 C22 -4.4(7) . . . . ?
Ir1 C16 C17 C22 -127.9(4) . . . . ?
C15 C16 C17 Ir1 -62.8(3) . . . . ?
C21 C16 C17 Ir1 123.5(4) . . . . ?

_refine_diff_density_max         1.673
_refine_diff_density_min         -1.847
_refine_diff_density_rms         0.177

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ga_230808f_a
_database_code_depnum_ccdc_archive 'CCDC 2303644'
loop_
_audit_author_name
_audit_author_address
'Xin-Ran Liu'
;Fudan university
China
;
_audit_update_record             
;
2023-10-25 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;
_audit_creation_date             2023-09-14
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H42 B20 N2 Rh S2, C F3 O3 S'
_chemical_formula_sum            'C23 H42 B20 F3 N2 O3 Rh S3'
_chemical_formula_weight         866.87
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0150 0.0070 '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 0.0070 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0600 0.0410 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0250 0.0140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0410 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0160 2.8650 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2920 0.4250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6103(11)
_cell_length_b                   13.1824(13)
_cell_length_c                   13.5411(13)
_cell_angle_alpha                99.204(4)
_cell_angle_beta                 101.430(4)
_cell_angle_gamma                91.527(4)
_cell_volume                     2001.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9762
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      52.49
_cell_measurement_theta_min      3.38
_shelx_estimated_absorpt_T_max   0.572
_shelx_estimated_absorpt_T_min   0.475
_exptl_absorpt_coefficient_mu    3.495
_exptl_absorpt_correction_T_max  0.6146
_exptl_absorpt_correction_T_min  0.4633
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1716 before and 0.0692 after correction.
The Ratio of minimum to maximum transmission is 0.7538.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.976
_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       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13097
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        51.998
_diffrn_reflns_theta_max         51.998
_diffrn_reflns_theta_min         2.960
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5569
_reflns_number_total             6632
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.717
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     581
_refine_ls_number_reflns         6632
_refine_ls_number_restraints     135
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0438
_refine_ls_restrained_S_all      1.094
_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)+(0.0176P)²+5.6562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.1036
_refine_special_details          
;
 In asymmetric unit of this data, the triflate anion was
 disordered and it was divided into two parts (77:23). 14
 ISOR, 1 SIMU and 15 DFIX instructions were used to restrain
 disordered anion so that there were 135 restraints in the
 data. H1, H2, H2A and H12A were found in difference map and
 other hydrogen atoms were put in calculated positions.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C2-H2A = C12-H12A
 1.04 with sigma of 0.05
 N1-H1 = N2-H2
 0.95 with sigma of 0.02
 S3'-C23'
 1.8 with sigma of 0.02
 S3'-O2'
 1.43 with sigma of 0.02
 C23-F2 = C23'-F1' = C23'-F2' = C23'-F3'
 1.32 with sigma of 0.02
 F2-F3 = F1'-F2' = F1'-F3' = F2'-F3'
 2.1 with sigma of 0.03
 S3-F2
 2.6 with sigma of 0.03
3. Uiso/Uaniso restraints and constraints
C23 \\sim F2 \\sim C23' \\sim F2': within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.05
Uanis(S3) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O3) \\sim Ueq, Uanis(S3') \\sim
Ueq, Uanis(O3') \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(F2)
\\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(C23') \\sim Ueq, Uanis(F1') \\sim Ueq,
Uanis(F2') \\sim Ueq, Uanis(F3') \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(O2') \\sim Ueq: with sigma of 0.007 and sigma for terminal atoms of 0.014
4. Others
 Sof(S3')=Sof(O2')=Sof(O3')=Sof(C23')=Sof(F1')=Sof(F2')=Sof(F3')=1-FVAR(1)
 Sof(S3)=Sof(O2)=Sof(O3)=Sof(C23)=Sof(F1)=Sof(F2)=Sof(F3)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C7(H7A), C8(H8A), C9(H9A)
5.b Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,
 H21C), C22(H22A,H22B,H22C)
5.c Boron cage BH refined with riding coordinates:
 B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9), B10(H10), B11(H11),
 B12(H12), B13(H13), B14(H14), B15(H15), B16(H16), B17(H17), B18(H18), B19(H19),
  B20(H20), B21(H21), B22(H22)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Rh1 Rh 0.71315(3) 0.26685(2) 0.74950(2) 0.03545(11) Uani 1 1 d . . . . .
S1 S 0.70387(9) 0.35470(7) 0.61241(8) 0.0375(2) Uani 1 1 d . . . . .
S2 S 0.57029(9) 0.13917(8) 0.66179(8) 0.0373(2) Uani 1 1 d . . . . .
N1 N 0.6602(3) 0.5132(3) 0.7446(3) 0.0397(8) Uani 1 1 d D . . . .
N2 N 0.4558(3) 0.2035(3) 0.8104(3) 0.0390(8) Uani 1 1 d D . . . .
C1 C 0.7397(3) 0.5571(3) 0.6040(3) 0.0343(9) Uani 1 1 d . . . . .
C2 C 0.7298(5) 0.6807(3) 0.6429(4) 0.0546(13) Uani 1 1 d D . . . .
H2A H 0.696(5) 0.704(4) 0.709(3) 0.082(18) Uiso 1 1 d D . . . .
B3 B 0.8664(5) 0.6328(4) 0.6591(5) 0.0519(14) Uani 1 1 d . . . . .
H3 H 0.923238 0.626723 0.734847 0.062 Uiso 1 1 calc R . . . .
B4 B 0.8584(4) 0.5383(4) 0.5492(4) 0.0466(13) Uani 1 1 d . . . . .
H4 H 0.911525 0.468713 0.551874 0.056 Uiso 1 1 calc R . . . .
B5 B 0.7147(5) 0.5306(4) 0.4743(4) 0.0492(13) Uani 1 1 d . . . . .
H5 H 0.672724 0.456387 0.427128 0.059 Uiso 1 1 calc R . . . .
B6 B 0.6314(5) 0.6217(5) 0.5373(5) 0.0533(14) Uani 1 1 d . . . . .
H6 H 0.534688 0.608435 0.533108 0.064 Uiso 1 1 calc R . . . .
B7 B 0.8419(6) 0.7522(4) 0.6186(5) 0.0619(16) Uani 1 1 d . . . . .
H7 H 0.883280 0.825761 0.667487 0.074 Uiso 1 1 calc R . . . .
B8 B 0.9238(5) 0.6620(4) 0.5548(5) 0.0526(14) Uani 1 1 d . . . . .
H8 H 1.020674 0.675445 0.560055 0.063 Uiso 1 1 calc R . . . .
B9 B 0.8303(5) 0.5987(4) 0.4412(5) 0.0525(14) Uani 1 1 d . . . . .
H9 H 0.864831 0.570095 0.370837 0.063 Uiso 1 1 calc R . . . .
B10 B 0.6895(5) 0.6512(5) 0.4348(5) 0.0624(17) Uani 1 1 d . . . . .
H10 H 0.630415 0.657949 0.360288 0.075 Uiso 1 1 calc R . . . .
B11 B 0.6989(6) 0.7444(5) 0.5441(6) 0.0669(19) Uani 1 1 d . . . . .
H11 H 0.645566 0.813998 0.543517 0.080 Uiso 1 1 calc R . . . .
B12 B 0.8204(5) 0.7321(4) 0.4847(5) 0.0563(15) Uani 1 1 d . . . . .
H12 H 0.848408 0.792426 0.443290 0.068 Uiso 1 1 calc R . . . .
B13 B 0.4712(5) -0.0771(4) 0.7548(4) 0.0480(13) Uani 1 1 d . . . . .
H13 H 0.567634 -0.077247 0.787815 0.058 Uiso 1 1 calc R . . . .
B14 B 0.3724(5) -0.0181(4) 0.8277(4) 0.0467(13) Uani 1 1 d . . . . .
H14 H 0.402170 0.020345 0.909155 0.056 Uiso 1 1 calc R . . . .
B15 B 0.2599(4) 0.0312(4) 0.7424(4) 0.0438(12) Uani 1 1 d . . . . .
H15 H 0.215485 0.102191 0.768026 0.053 Uiso 1 1 calc R . . . .
B16 B 0.2907(5) 0.0046(4) 0.6177(4) 0.0441(12) Uani 1 1 d . . . . .
H16 H 0.268187 0.057848 0.560913 0.053 Uiso 1 1 calc R . . . .
B17 B 0.3962(5) -0.1813(4) 0.6657(5) 0.0542(14) Uani 1 1 d . . . . .
H17 H 0.441636 -0.251545 0.639766 0.065 Uiso 1 1 calc R . . . .
B18 B 0.3663(5) -0.1540(4) 0.7899(5) 0.0563(15) Uani 1 1 d . . . . .
H18 H 0.391582 -0.206389 0.847148 0.068 Uiso 1 1 calc R . . . .
B19 B 0.2342(5) -0.0876(5) 0.7816(5) 0.0541(14) Uani 1 1 d . . . . .
H19 H 0.171544 -0.096368 0.833268 0.065 Uiso 1 1 calc R . . . .
B20 B 0.1833(5) -0.0732(4) 0.6521(5) 0.0514(14) Uani 1 1 d . . . . .
H20 H 0.087325 -0.072377 0.617937 0.062 Uiso 1 1 calc R . . . .
B21 B 0.2839(5) -0.1301(4) 0.5807(5) 0.0507(13) Uani 1 1 d . . . . .
H21 H 0.255444 -0.166383 0.498406 0.061 Uiso 1 1 calc R . . . .
B22 B 0.2494(5) -0.1880(4) 0.6817(5) 0.0545(14) Uani 1 1 d . . . . .
H22 H 0.196843 -0.263322 0.666873 0.065 Uiso 1 1 calc R . . . .
C3 C 0.6991(3) 0.4786(3) 0.6614(3) 0.0327(9) Uani 1 1 d . . . . .
C4 C 0.5822(4) 0.4594(3) 0.7901(3) 0.0404(10) Uani 1 1 d . . . . .
C5 C 0.5787(4) 0.3521(3) 0.7866(3) 0.0376(9) Uani 1 1 d . . . . .
C6 C 0.4858(4) 0.3117(3) 0.8216(3) 0.0425(10) Uani 1 1 d . . . . .
C7 C 0.4056(5) 0.3729(4) 0.8628(4) 0.0679(16) Uani 1 1 d . . . . .
H7A H 0.343625 0.342171 0.886531 0.081 Uiso 1 1 calc R . . . .
C8 C 0.4162(6) 0.4786(4) 0.8692(5) 0.084(2) Uani 1 1 d . . . . .
H8A H 0.363108 0.520960 0.899232 0.101 Uiso 1 1 calc R . . . .
C9 C 0.5039(5) 0.5220(4) 0.8320(4) 0.0672(16) Uani 1 1 d . . . . .
H9A H 0.510951 0.594407 0.834926 0.081 Uiso 1 1 calc R . . . .
C10 C 0.4753(3) 0.1297(3) 0.7384(3) 0.0342(9) Uani 1 1 d . . . . .
C11 C 0.4016(4) 0.0305(3) 0.7249(3) 0.0365(9) Uani 1 1 d . . . . .
C12 C 0.4158(4) -0.0639(3) 0.6316(4) 0.0465(11) Uani 1 1 d D . . . .
H12A H 0.479(3) -0.050(3) 0.590(3) 0.045(12) Uiso 1 1 d D . . . .
C13 C 0.8231(4) 0.2975(4) 0.9049(3) 0.0481(11) Uani 1 1 d . . . . .
C14 C 0.7922(4) 0.1902(4) 0.8745(3) 0.0455(11) Uani 1 1 d . . . . .
C15 C 0.8463(4) 0.1526(3) 0.7898(3) 0.0430(10) Uani 1 1 d . . . . .
C16 C 0.9037(4) 0.2378(4) 0.7650(4) 0.0480(11) Uani 1 1 d . . . . .
C17 C 0.8882(4) 0.3284(3) 0.8355(4) 0.0468(11) Uani 1 1 d . . . . .
C18 C 0.7938(5) 0.3654(4) 0.9956(4) 0.0693(16) Uani 1 1 d . . . . .
H18A H 0.716833 0.342330 1.005964 0.104 Uiso 1 1 calc GR . . . .
H18B H 0.791531 0.436657 0.983384 0.104 Uiso 1 1 calc GR . . . .
H18C H 0.854033 0.361388 1.056568 0.104 Uiso 1 1 calc GR . . . .
C19 C 0.7300(5) 0.1245(4) 0.9318(4) 0.0606(14) Uani 1 1 d . . . . .
H19A H 0.787574 0.102248 0.986265 0.091 Uiso 1 1 calc GR . . . .
H19B H 0.690119 0.063883 0.884584 0.091 Uiso 1 1 calc GR . . . .
H19C H 0.671781 0.164566 0.961867 0.091 Uiso 1 1 calc GR . . . .
C20 C 0.8445(4) 0.0437(3) 0.7390(4) 0.0519(12) Uani 1 1 d . . . . .
H20A H 0.853659 0.041750 0.668316 0.078 Uiso 1 1 calc GR . . . .
H20B H 0.769428 0.008112 0.739251 0.078 Uiso 1 1 calc GR . . . .
H20C H 0.909330 0.009535 0.775935 0.078 Uiso 1 1 calc GR . . . .
C21 C 0.9762(4) 0.2356(4) 0.6851(4) 0.0575(13) Uani 1 1 d . . . . .
H21A H 1.059837 0.244856 0.717945 0.086 Uiso 1 1 calc GR . . . .
H21B H 0.955116 0.291218 0.646020 0.086 Uiso 1 1 calc GR . . . .
H21C H 0.961262 0.169202 0.638966 0.086 Uiso 1 1 calc GR . . . .
C22 C 0.9462(4) 0.4332(4) 0.8426(5) 0.0645(15) Uani 1 1 d . . . . .
H22A H 0.900413 0.485539 0.874391 0.097 Uiso 1 1 calc GR . . . .
H22B H 0.950142 0.445652 0.773877 0.097 Uiso 1 1 calc GR . . . .
H22C H 1.026068 0.436706 0.884156 0.097 Uiso 1 1 calc GR . . . .
O1 O 0.6770(4) 0.8018(3) 1.0213(3) 0.0779(12) Uani 1 1 d . . . . .
S3 S 0.75476(17) 0.74045(15) 0.96536(16) 0.0539(6) Uani 0.766(5) 1 d D U P A 1
O2 O 0.6998(5) 0.7202(5) 0.8554(4) 0.0707(16) Uani 0.766(5) 1 d . U P A 1
O3 O 0.8071(6) 0.6563(4) 1.0011(5) 0.093(2) Uani 0.766(5) 1 d . U P A 1
C23 C 0.8736(8) 0.8323(7) 0.9663(7) 0.056(2) Uani 0.766(5) 1 d D U P A 1
F1 F 0.9273(6) 0.8693(6) 1.0636(5) 0.100(2) Uani 0.766(5) 1 d . U P A 1
F2 F 0.9533(10) 0.7895(9) 0.9188(9) 0.103(3) Uani 0.766(5) 1 d D U P A 1
F3 F 0.8399(5) 0.9077(4) 0.9230(5) 0.108(2) Uani 0.766(5) 1 d D U P A 1
S3' S 0.7169(5) 0.7948(5) 0.9303(5) 0.052(2) Uani 0.234(5) 1 d D U P A 2
O2' O 0.7117(19) 0.6804(11) 0.9010(13) 0.071(5) Uani 0.234(5) 1 d D U P A 2
O3' O 0.7097(17) 0.8507(12) 0.8482(12) 0.079(6) Uani 0.234(5) 1 d . U P A 2
C23' C 0.8685(17) 0.8152(18) 0.9954(18) 0.070(9) Uani 0.234(5) 1 d D U P A 2
F1' F 0.8917(17) 0.9149(14) 1.0288(16) 0.090(6) Uani 0.234(5) 1 d D U P A 2
F2' F 0.952(3) 0.782(3) 0.947(3) 0.092(8) Uani 0.234(5) 1 d D U P A 2
F3' F 0.8759(19) 0.7613(18) 1.0721(14) 0.142(9) Uani 0.234(5) 1 d D U P A 2
H2 H 0.404(3) 0.190(4) 0.852(3) 0.053(14) Uiso 1 1 d D . . . .
H1 H 0.667(4) 0.5832(17) 0.771(3) 0.057(14) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Rh1 S1 2.3267(11) . ?
Rh1 S2 2.3293(10) . ?
Rh1 C5 2.044(4) . ?
Rh1 C13 2.204(4) . ?
Rh1 C14 2.170(4) . ?
Rh1 C15 2.238(4) . ?
Rh1 C16 2.230(4) . ?
Rh1 C17 2.194(4) . ?
S1 C3 1.668(4) . ?
S2 C10 1.672(4) . ?
N1 C3 1.315(5) . ?
N1 C4 1.424(5) . ?
N1 H1 0.928(19) . ?
N2 C6 1.436(5) . ?
N2 C10 1.321(5) . ?
N2 H2 0.930(19) . ?
C1 C2 1.644(6) . ?
C1 B3 1.722(6) . ?
C1 B4 1.695(6) . ?
C1 B5 1.698(7) . ?
C1 B6 1.725(6) . ?
C1 C3 1.509(5) . ?
C2 H2A 1.05(4) . ?
C2 B3 1.709(8) . ?
C2 B6 1.704(8) . ?
C2 B7 1.702(7) . ?
C2 B11 1.677(8) . ?
B3 H3 1.1200 . ?
B3 B4 1.767(8) . ?
B3 B7 1.760(8) . ?
B3 B8 1.767(8) . ?
B4 H4 1.1200 . ?
B4 B5 1.763(8) . ?
B4 B8 1.765(7) . ?
B4 B9 1.754(8) . ?
B5 H5 1.1200 . ?
B5 B6 1.780(8) . ?
B5 B9 1.764(7) . ?
B5 B10 1.771(8) . ?
B6 H6 1.1200 . ?
B6 B10 1.751(8) . ?
B6 B11 1.761(8) . ?
B7 H7 1.1200 . ?
B7 B8 1.766(8) . ?
B7 B11 1.755(10) . ?
B7 B12 1.755(9) . ?
B8 H8 1.1200 . ?
B8 B9 1.767(8) . ?
B8 B12 1.756(8) . ?
B9 H9 1.1200 . ?
B9 B10 1.784(9) . ?
B9 B12 1.778(8) . ?
B10 H10 1.1200 . ?
B10 B11 1.749(10) . ?
B10 B12 1.783(9) . ?
B11 H11 1.1200 . ?
B11 B12 1.756(8) . ?
B12 H12 1.1200 . ?
B13 H13 1.1200 . ?
B13 B14 1.774(8) . ?
B13 B17 1.758(8) . ?
B13 B18 1.749(8) . ?
B13 C11 1.716(6) . ?
B13 C12 1.703(7) . ?
B14 H14 1.1200 . ?
B14 B15 1.774(8) . ?
B14 B18 1.779(8) . ?
B14 B19 1.773(8) . ?
B14 C11 1.710(6) . ?
B15 H15 1.1200 . ?
B15 B16 1.777(7) . ?
B15 B19 1.769(8) . ?
B15 B20 1.774(7) . ?
B15 C11 1.708(6) . ?
B16 H16 1.1200 . ?
B16 B20 1.772(8) . ?
B16 B21 1.763(7) . ?
B16 C11 1.720(6) . ?
B16 C12 1.725(7) . ?
B17 H17 1.1200 . ?
B17 B18 1.767(9) . ?
B17 B21 1.783(8) . ?
B17 B22 1.762(8) . ?
B17 C12 1.707(7) . ?
B18 H18 1.1200 . ?
B18 B19 1.779(9) . ?
B18 B22 1.778(8) . ?
B19 H19 1.1200 . ?
B19 B20 1.779(8) . ?
B19 B22 1.774(8) . ?
B20 H20 1.1200 . ?
B20 B21 1.768(8) . ?
B20 B22 1.781(8) . ?
B21 H21 1.1200 . ?
B21 B22 1.774(8) . ?
B21 C12 1.703(7) . ?
B22 H22 1.1200 . ?
C4 C5 1.407(6) . ?
C4 C9 1.387(6) . ?
C5 C6 1.386(6) . ?
C6 C7 1.390(6) . ?
C7 H7A 0.9500 . ?
C7 C8 1.383(7) . ?
C8 H8A 0.9500 . ?
C8 C9 1.372(7) . ?
C9 H9A 0.9500 . ?
C10 C11 1.508(5) . ?
C11 C12 1.663(6) . ?
C12 H12A 1.04(3) . ?
C13 C14 1.425(6) . ?
C13 C17 1.416(7) . ?
C13 C18 1.501(7) . ?
C14 C15 1.441(6) . ?
C14 C19 1.510(6) . ?
C15 C16 1.411(6) . ?
C15 C20 1.487(6) . ?
C16 C17 1.444(6) . ?
C16 C21 1.493(6) . ?
C17 C22 1.501(6) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
O1 S3 1.468(4) . ?
O1 S3' 1.390(7) . ?
S3 O2 1.478(6) . ?
S3 O3 1.387(6) . ?
S3 C23 1.807(9) . ?
C23 F1 1.348(10) . ?
C23 F2 1.317(10) . ?
C23 F3 1.265(10) . ?
S3' O2' 1.493(14) . ?
S3' O3' 1.419(16) . ?
S3' C23' 1.798(18) . ?
C23' F1' 1.321(18) . ?
C23' F2' 1.319(18) . ?
C23' F3' 1.341(18) . ?

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
S1 Rh1 S2 94.60(4) . . ?
C5 Rh1 S1 86.81(12) . . ?
C5 Rh1 S2 87.25(12) . . ?
C5 Rh1 C13 94.96(17) . . ?
C5 Rh1 C14 110.84(17) . . ?
C5 Rh1 C15 148.56(17) . . ?
C5 Rh1 C16 152.00(17) . . ?
C5 Rh1 C17 113.95(17) . . ?
C13 Rh1 S1 131.06(13) . . ?
C13 Rh1 S2 134.33(13) . . ?
C13 Rh1 C15 63.04(17) . . ?
C13 Rh1 C16 62.89(17) . . ?
C14 Rh1 S1 158.02(13) . . ?
C14 Rh1 S2 99.09(13) . . ?
C14 Rh1 C13 38.01(17) . . ?
C14 Rh1 C15 38.11(16) . . ?
C14 Rh1 C16 62.99(17) . . ?
C14 Rh1 C17 63.48(17) . . ?
C15 Rh1 S1 124.43(12) . . ?
C15 Rh1 S2 92.97(12) . . ?
C16 Rh1 S1 95.23(12) . . ?
C16 Rh1 S2 120.29(13) . . ?
C16 Rh1 C15 36.82(16) . . ?
C17 Rh1 S1 97.93(13) . . ?
C17 Rh1 S2 155.82(12) . . ?
C17 Rh1 C13 37.57(17) . . ?
C17 Rh1 C15 62.91(16) . . ?
C17 Rh1 C16 38.08(17) . . ?
C3 S1 Rh1 105.36(14) . . ?
C10 S2 Rh1 106.26(14) . . ?
C3 N1 C4 126.8(3) . . ?
C3 N1 H1 120(3) . . ?
C4 N1 H1 112(3) . . ?
C6 N2 H2 112(3) . . ?
C10 N2 C6 127.2(3) . . ?
C10 N2 H2 119(3) . . ?
C2 C1 B3 61.0(3) . . ?
C2 C1 B4 110.2(3) . . ?
C2 C1 B5 110.4(4) . . ?
C2 C1 B6 60.7(3) . . ?
B3 C1 B6 113.5(3) . . ?
B4 C1 B3 62.3(3) . . ?
B4 C1 B5 62.6(3) . . ?
B4 C1 B6 114.0(4) . . ?
B5 C1 B3 114.0(4) . . ?
B5 C1 B6 62.6(3) . . ?
C3 C1 C2 120.3(3) . . ?
C3 C1 B3 118.8(4) . . ?
C3 C1 B4 120.8(3) . . ?
C3 C1 B5 119.1(3) . . ?
C3 C1 B6 116.5(3) . . ?
C1 C2 H2A 119(3) . . ?
C1 C2 B3 61.7(3) . . ?
C1 C2 B6 62.0(3) . . ?
C1 C2 B7 111.4(4) . . ?
C1 C2 B11 111.4(4) . . ?
B3 C2 H2A 117(3) . . ?
B6 C2 H2A 116(3) . . ?
B6 C2 B3 115.2(4) . . ?
B7 C2 H2A 120(3) . . ?
B7 C2 B3 62.1(3) . . ?
B7 C2 B6 115.0(4) . . ?
B11 C2 H2A 120(3) . . ?
B11 C2 B3 113.9(4) . . ?
B11 C2 B6 62.8(4) . . ?
B11 C2 B7 62.6(4) . . ?
C1 B3 H3 124.5 . . ?
C1 B3 B4 58.1(3) . . ?
C1 B3 B7 105.1(4) . . ?
C1 B3 B8 104.7(4) . . ?
C2 B3 C1 57.3(3) . . ?
C2 B3 H3 124.8 . . ?
C2 B3 B4 104.0(4) . . ?
C2 B3 B7 58.7(3) . . ?
C2 B3 B8 104.5(4) . . ?
B4 B3 H3 122.6 . . ?
B7 B3 H3 121.9 . . ?
B7 B3 B4 107.8(4) . . ?
B7 B3 B8 60.1(3) . . ?
B8 B3 H3 123.0 . . ?
B8 B3 B4 59.9(3) . . ?
C1 B4 B3 59.6(3) . . ?
C1 B4 H4 124.0 . . ?
C1 B4 B5 58.8(3) . . ?
C1 B4 B8 105.9(4) . . ?
C1 B4 B9 105.5(4) . . ?
B3 B4 H4 121.1 . . ?
B5 B4 B3 108.7(4) . . ?
B5 B4 H4 121.2 . . ?
B5 B4 B8 108.6(4) . . ?
B8 B4 B3 60.0(3) . . ?
B8 B4 H4 121.9 . . ?
B9 B4 B3 108.4(4) . . ?
B9 B4 H4 122.1 . . ?
B9 B4 B5 60.2(3) . . ?
B9 B4 B8 60.3(3) . . ?
C1 B5 B4 58.6(3) . . ?
C1 B5 H5 124.5 . . ?
C1 B5 B6 59.4(3) . . ?
C1 B5 B9 104.9(4) . . ?
C1 B5 B10 104.7(4) . . ?
B4 B5 H5 121.7 . . ?
B4 B5 B6 108.1(4) . . ?
B4 B5 B9 59.6(3) . . ?
B4 B5 B10 107.8(4) . . ?
B6 B5 H5 121.5 . . ?
B9 B5 H5 122.1 . . ?
B9 B5 B6 108.1(4) . . ?
B9 B5 B10 60.6(3) . . ?
B10 B5 H5 122.6 . . ?
B10 B5 B6 59.1(3) . . ?
C1 B6 B5 58.0(3) . . ?
C1 B6 H6 124.8 . . ?
C1 B6 B10 104.4(4) . . ?
C1 B6 B11 103.9(4) . . ?
C2 B6 C1 57.3(3) . . ?
C2 B6 B5 104.0(4) . . ?
C2 B6 H6 125.0 . . ?
C2 B6 B10 104.1(4) . . ?
C2 B6 B11 57.9(3) . . ?
B5 B6 H6 122.6 . . ?
B10 B6 B5 60.2(3) . . ?
B10 B6 H6 123.0 . . ?
B10 B6 B11 59.7(4) . . ?
B11 B6 B5 107.2(4) . . ?
B11 B6 H6 122.8 . . ?
C2 B7 B3 59.2(3) . . ?
C2 B7 H7 124.8 . . ?
C2 B7 B8 104.9(4) . . ?
C2 B7 B11 58.0(3) . . ?
C2 B7 B12 104.5(4) . . ?
B3 B7 H7 121.2 . . ?
B3 B7 B8 60.1(3) . . ?
B8 B7 H7 122.4 . . ?
B11 B7 B3 107.8(4) . . ?
B11 B7 H7 121.9 . . ?
B11 B7 B8 107.6(4) . . ?
B11 B7 B12 60.0(4) . . ?
B12 B7 B3 108.2(4) . . ?
B12 B7 H7 122.4 . . ?
B12 B7 B8 59.8(3) . . ?
B3 B8 H8 121.9 . . ?
B3 B8 B9 107.9(4) . . ?
B4 B8 B3 60.0(3) . . ?
B4 B8 B7 107.6(4) . . ?
B4 B8 H8 122.0 . . ?
B4 B8 B9 59.6(3) . . ?
B7 B8 B3 59.8(3) . . ?
B7 B8 H8 121.9 . . ?
B7 B8 B9 108.1(4) . . ?
B9 B8 H8 121.6 . . ?
B12 B8 B3 107.8(4) . . ?
B12 B8 B4 107.9(4) . . ?
B12 B8 B7 59.8(4) . . ?
B12 B8 H8 121.6 . . ?
B12 B8 B9 60.6(3) . . ?
B4 B9 B5 60.1(3) . . ?
B4 B9 B8 60.2(3) . . ?
B4 B9 H9 121.9 . . ?
B4 B9 B10 107.6(4) . . ?
B4 B9 B12 107.4(4) . . ?
B5 B9 B8 108.4(4) . . ?
B5 B9 H9 121.4 . . ?
B5 B9 B10 59.9(3) . . ?
B5 B9 B12 108.1(4) . . ?
B8 B9 H9 121.8 . . ?
B8 B9 B10 107.6(4) . . ?
B8 B9 B12 59.4(3) . . ?
B10 B9 H9 122.0 . . ?
B12 B9 H9 122.0 . . ?
B12 B9 B10 60.1(3) . . ?
B5 B10 B9 59.5(3) . . ?
B5 B10 H10 121.8 . . ?
B5 B10 B12 107.6(4) . . ?
B6 B10 B5 60.7(3) . . ?
B6 B10 B9 108.4(4) . . ?
B6 B10 H10 120.9 . . ?
B6 B10 B12 108.5(5) . . ?
B9 B10 H10 122.1 . . ?
B11 B10 B5 108.1(4) . . ?
B11 B10 B6 60.4(4) . . ?
B11 B10 B9 107.4(4) . . ?
B11 B10 H10 121.9 . . ?
B11 B10 B12 59.6(4) . . ?
B12 B10 B9 59.8(3) . . ?
B12 B10 H10 121.9 . . ?
C2 B11 B6 59.4(3) . . ?
C2 B11 B7 59.4(4) . . ?
C2 B11 B10 105.4(4) . . ?
C2 B11 H11 124.3 . . ?
C2 B11 B12 105.5(4) . . ?
B6 B11 H11 120.7 . . ?
B7 B11 B6 109.6(4) . . ?
B7 B11 H11 120.7 . . ?
B7 B11 B12 60.0(4) . . ?
B10 B11 B6 59.9(4) . . ?
B10 B11 B7 109.3(4) . . ?
B10 B11 H11 121.8 . . ?
B10 B11 B12 61.2(4) . . ?
B12 B11 B6 109.3(4) . . ?
B12 B11 H11 121.7 . . ?
B7 B12 B8 60.4(4) . . ?
B7 B12 B9 108.1(4) . . ?
B7 B12 B10 107.7(4) . . ?
B7 B12 B11 60.0(4) . . ?
B7 B12 H12 121.6 . . ?
B8 B12 B9 60.0(3) . . ?
B8 B12 B10 108.2(4) . . ?
B8 B12 H12 121.4 . . ?
B9 B12 B10 60.2(3) . . ?
B9 B12 H12 121.8 . . ?
B10 B12 H12 121.9 . . ?
B11 B12 B8 108.0(4) . . ?
B11 B12 B9 107.4(4) . . ?
B11 B12 B10 59.2(4) . . ?
B11 B12 H12 122.2 . . ?
B14 B13 H13 121.6 . . ?
B17 B13 H13 121.5 . . ?
B17 B13 B14 109.1(4) . . ?
B18 B13 H13 122.2 . . ?
B18 B13 B14 60.6(3) . . ?
B18 B13 B17 60.5(3) . . ?
C11 B13 H13 123.9 . . ?
C11 B13 B14 58.6(3) . . ?
C11 B13 B17 106.0(4) . . ?
C11 B13 B18 105.8(4) . . ?
C12 B13 H13 123.7 . . ?
C12 B13 B14 105.9(4) . . ?
C12 B13 B17 59.1(3) . . ?
C12 B13 B18 106.0(4) . . ?
C12 B13 C11 58.2(3) . . ?
B13 B14 H14 122.2 . . ?
B13 B14 B15 107.5(4) . . ?
B13 B14 B18 59.0(3) . . ?
B15 B14 H14 121.6 . . ?
B15 B14 B18 107.9(4) . . ?
B18 B14 H14 122.5 . . ?
B19 B14 B13 106.9(4) . . ?
B19 B14 H14 122.7 . . ?
B19 B14 B15 59.8(3) . . ?
B19 B14 B18 60.1(3) . . ?
C11 B14 B13 59.0(3) . . ?
C11 B14 H14 124.4 . . ?
C11 B14 B15 58.7(3) . . ?
C11 B14 B18 104.8(4) . . ?
C11 B14 B19 104.7(4) . . ?
B14 B15 H15 121.3 . . ?
B14 B15 B16 108.3(4) . . ?
B16 B15 H15 121.4 . . ?
B19 B15 B14 60.0(3) . . ?
B19 B15 H15 122.3 . . ?
B19 B15 B16 108.0(4) . . ?
B19 B15 B20 60.3(3) . . ?
B20 B15 B14 108.5(4) . . ?
B20 B15 H15 122.1 . . ?
B20 B15 B16 59.9(3) . . ?
C11 B15 B14 58.8(3) . . ?
C11 B15 H15 124.4 . . ?
C11 B15 B16 59.1(3) . . ?
C11 B15 B19 105.0(4) . . ?
C11 B15 B20 105.3(4) . . ?
B15 B16 H16 122.3 . . ?
B20 B16 B15 60.0(3) . . ?
B20 B16 H16 123.0 . . ?
B21 B16 B15 107.8(4) . . ?
B21 B16 H16 122.2 . . ?
B21 B16 B20 60.0(3) . . ?
C11 B16 B15 58.4(3) . . ?
C11 B16 H16 124.3 . . ?
C11 B16 B20 104.8(4) . . ?
C11 B16 B21 105.0(4) . . ?
C11 B16 C12 57.7(3) . . ?
C12 B16 B15 104.7(4) . . ?
C12 B16 H16 124.4 . . ?
C12 B16 B20 104.7(4) . . ?
C12 B16 B21 58.4(3) . . ?
B13 B17 H17 122.0 . . ?
B13 B17 B18 59.5(3) . . ?
B13 B17 B21 107.3(4) . . ?
B13 B17 B22 107.7(4) . . ?
B18 B17 H17 122.1 . . ?
B18 B17 B21 108.2(4) . . ?
B21 B17 H17 121.8 . . ?
B22 B17 H17 122.1 . . ?
B22 B17 B18 60.5(3) . . ?
B22 B17 B21 60.0(3) . . ?
C12 B17 B13 58.9(3) . . ?
C12 B17 H17 124.5 . . ?
C12 B17 B18 105.1(4) . . ?
C12 B17 B21 58.3(3) . . ?
C12 B17 B22 105.0(4) . . ?
B13 B18 B14 60.4(3) . . ?
B13 B18 B17 60.0(3) . . ?
B13 B18 H18 121.8 . . ?
B13 B18 B19 107.7(4) . . ?
B13 B18 B22 107.4(4) . . ?
B14 B18 H18 121.4 . . ?
B14 B18 B19 59.8(3) . . ?
B17 B18 B14 108.5(4) . . ?
B17 B18 H18 121.7 . . ?
B17 B18 B19 107.7(4) . . ?
B17 B18 B22 59.6(3) . . ?
B19 B18 H18 122.0 . . ?
B22 B18 B14 107.8(4) . . ?
B22 B18 H18 122.2 . . ?
B22 B18 B19 59.8(3) . . ?
B14 B19 B18 60.1(3) . . ?
B14 B19 H19 121.5 . . ?
B14 B19 B20 108.3(4) . . ?
B14 B19 B22 108.2(4) . . ?
B15 B19 B14 60.1(3) . . ?
B15 B19 B18 108.1(4) . . ?
B15 B19 H19 121.7 . . ?
B15 B19 B20 60.0(3) . . ?
B15 B19 B22 108.0(4) . . ?
B18 B19 H19 121.6 . . ?
B20 B19 B18 108.3(4) . . ?
B20 B19 H19 121.5 . . ?
B22 B19 B18 60.0(3) . . ?
B22 B19 H19 121.7 . . ?
B22 B19 B20 60.2(3) . . ?
B15 B20 B19 59.7(3) . . ?
B15 B20 H20 121.9 . . ?
B15 B20 B22 107.5(4) . . ?
B16 B20 B15 60.2(3) . . ?
B16 B20 B19 107.8(4) . . ?
B16 B20 H20 121.8 . . ?
B16 B20 B22 107.7(4) . . ?
B19 B20 H20 121.9 . . ?
B19 B20 B22 59.8(3) . . ?
B21 B20 B15 107.7(4) . . ?
B21 B20 B16 59.7(3) . . ?
B21 B20 B19 107.7(4) . . ?
B21 B20 H20 121.9 . . ?
B21 B20 B22 60.0(3) . . ?
B22 B20 H20 121.9 . . ?
B16 B21 B17 108.5(4) . . ?
B16 B21 B20 60.3(3) . . ?
B16 B21 H21 120.8 . . ?
B16 B21 B22 108.4(4) . . ?
B17 B21 H21 121.7 . . ?
B20 B21 B17 108.1(4) . . ?
B20 B21 H21 121.8 . . ?
B20 B21 B22 60.4(3) . . ?
B22 B21 B17 59.4(3) . . ?
B22 B21 H21 122.5 . . ?
C12 B21 B16 59.7(3) . . ?
C12 B21 B17 58.6(3) . . ?
C12 B21 B20 105.8(4) . . ?
C12 B21 H21 124.2 . . ?
C12 B21 B22 104.7(4) . . ?
B17 B22 B18 59.9(3) . . ?
B17 B22 B19 108.2(4) . . ?
B17 B22 B20 108.5(4) . . ?
B17 B22 B21 60.6(3) . . ?
B17 B22 H22 121.3 . . ?
B18 B22 B20 108.3(4) . . ?
B18 B22 H22 121.6 . . ?
B19 B22 B18 60.1(3) . . ?
B19 B22 B20 60.0(3) . . ?
B19 B22 H22 121.8 . . ?
B20 B22 H22 121.6 . . ?
B21 B22 B18 108.1(4) . . ?
B21 B22 B19 107.7(4) . . ?
B21 B22 B20 59.6(3) . . ?
B21 B22 H22 121.8 . . ?
N1 C3 S1 125.3(3) . . ?
N1 C3 C1 117.4(3) . . ?
C1 C3 S1 117.3(3) . . ?
C5 C4 N1 123.5(4) . . ?
C9 C4 N1 113.5(4) . . ?
C9 C4 C5 122.8(4) . . ?
C4 C5 Rh1 121.3(3) . . ?
C6 C5 Rh1 123.0(3) . . ?
C6 C5 C4 115.2(4) . . ?
C5 C6 N2 124.0(4) . . ?
C5 C6 C7 122.7(4) . . ?
C7 C6 N2 113.0(4) . . ?
C6 C7 H7A 120.1 . . ?
C8 C7 C6 119.8(5) . . ?
C8 C7 H7A 120.1 . . ?
C7 C8 H8A 120.2 . . ?
C9 C8 C7 119.6(5) . . ?
C9 C8 H8A 120.2 . . ?
C4 C9 H9A 120.2 . . ?
C8 C9 C4 119.6(5) . . ?
C8 C9 H9A 120.2 . . ?
N2 C10 S2 125.6(3) . . ?
N2 C10 C11 115.3(3) . . ?
C11 C10 S2 119.1(3) . . ?
B13 C11 B16 113.1(3) . . ?
B14 C11 B13 62.4(3) . . ?
B14 C11 B16 114.2(3) . . ?
B15 C11 B13 113.4(3) . . ?
B15 C11 B14 62.5(3) . . ?
B15 C11 B16 62.5(3) . . ?
C10 C11 B13 118.3(3) . . ?
C10 C11 B14 121.4(3) . . ?
C10 C11 B15 121.0(3) . . ?
C10 C11 B16 116.4(3) . . ?
C10 C11 C12 118.2(3) . . ?
C12 C11 B13 60.5(3) . . ?
C12 C11 B14 110.8(3) . . ?
C12 C11 B15 110.8(3) . . ?
C12 C11 B16 61.3(3) . . ?
B13 C12 B16 113.5(4) . . ?
B13 C12 B17 62.1(3) . . ?
B13 C12 H12A 115(2) . . ?
B16 C12 H12A 118(2) . . ?
B17 C12 B16 114.0(4) . . ?
B17 C12 H12A 122(2) . . ?
B21 C12 B13 113.7(4) . . ?
B21 C12 B16 61.9(3) . . ?
B21 C12 B17 63.1(3) . . ?
B21 C12 H12A 124(2) . . ?
C11 C12 B13 61.3(3) . . ?
C11 C12 B16 61.0(3) . . ?
C11 C12 B17 110.9(4) . . ?
C11 C12 B21 110.3(3) . . ?
C11 C12 H12A 116(2) . . ?
C14 C13 Rh1 69.7(2) . . ?
C14 C13 C18 126.0(5) . . ?
C17 C13 Rh1 70.9(3) . . ?
C17 C13 C14 107.8(4) . . ?
C17 C13 C18 126.2(5) . . ?
C18 C13 Rh1 125.8(3) . . ?
C13 C14 Rh1 72.3(3) . . ?
C13 C14 C15 108.3(4) . . ?
C13 C14 C19 125.4(4) . . ?
C15 C14 Rh1 73.5(2) . . ?
C15 C14 C19 125.7(4) . . ?
C19 C14 Rh1 127.4(3) . . ?
C14 C15 Rh1 68.4(2) . . ?
C14 C15 C20 126.5(4) . . ?
C16 C15 Rh1 71.3(2) . . ?
C16 C15 C14 107.5(4) . . ?
C16 C15 C20 126.0(4) . . ?
C20 C15 Rh1 126.6(3) . . ?
C15 C16 Rh1 71.9(3) . . ?
C15 C16 C17 108.3(4) . . ?
C15 C16 C21 126.7(4) . . ?
C17 C16 Rh1 69.6(2) . . ?
C17 C16 C21 124.9(4) . . ?
C21 C16 Rh1 127.6(3) . . ?
C13 C17 Rh1 71.6(3) . . ?
C13 C17 C16 108.0(4) . . ?
C13 C17 C22 126.3(5) . . ?
C16 C17 Rh1 72.3(3) . . ?
C16 C17 C22 125.2(5) . . ?
C22 C17 Rh1 128.4(3) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O1 S3 O2 109.0(3) . . ?
O1 S3 C23 103.3(4) . . ?
O2 S3 C23 100.7(4) . . ?
O3 S3 O1 121.1(3) . . ?
O3 S3 O2 113.9(4) . . ?
O3 S3 C23 106.3(4) . . ?
F1 C23 S3 109.5(7) . . ?
F2 C23 S3 111.6(7) . . ?
F2 C23 F1 107.7(9) . . ?
F3 C23 S3 113.3(6) . . ?
F3 C23 F1 108.1(8) . . ?
F3 C23 F2 106.3(9) . . ?
O1 S3' O2' 99.4(9) . . ?
O1 S3' O3' 137.9(9) . . ?
O1 S3' C23' 92.8(9) . . ?
O2' S3' C23' 98.8(12) . . ?
O3' S3' O2' 115.4(11) . . ?
O3' S3' C23' 103.9(12) . . ?
F1' C23' S3' 108.5(15) . . ?
F1' C23' F3' 112(2) . . ?
F2' C23' S3' 120(2) . . ?
F2' C23' F1' 107(2) . . ?
F2' C23' F3' 104.9(19) . . ?
F3' C23' S3' 104.1(15) . . ?

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
Rh1 S1 C3 N1 -25.1(4) . . . . ?
Rh1 S1 C3 C1 156.7(3) . . . . ?
Rh1 S2 C10 N2 25.2(4) . . . . ?
Rh1 S2 C10 C11 -156.5(3) . . . . ?
Rh1 C5 C6 N2 -17.3(6) . . . . ?
Rh1 C5 C6 C7 168.9(4) . . . . ?
Rh1 C13 C14 C15 65.2(3) . . . . ?
Rh1 C13 C14 C19 -123.7(5) . . . . ?
Rh1 C13 C17 C16 -63.6(3) . . . . ?
Rh1 C13 C17 C22 124.6(5) . . . . ?
Rh1 C14 C15 C16 60.9(3) . . . . ?
Rh1 C14 C15 C20 -120.4(4) . . . . ?
Rh1 C15 C16 C17 60.4(3) . . . . ?
Rh1 C15 C16 C21 -123.8(5) . . . . ?
Rh1 C16 C17 C13 63.1(3) . . . . ?
Rh1 C16 C17 C22 -125.0(4) . . . . ?
S2 C10 C11 B13 68.0(5) . . . . ?
S2 C10 C11 B14 141.2(3) . . . . ?
S2 C10 C11 B15 -144.1(3) . . . . ?
S2 C10 C11 B16 -71.8(4) . . . . ?
S2 C10 C11 C12 -1.8(5) . . . . ?
N1 C4 C5 Rh1 16.5(6) . . . . ?
N1 C4 C5 C6 -170.8(4) . . . . ?
N1 C4 C9 C8 173.5(6) . . . . ?
N2 C6 C7 C8 -173.8(6) . . . . ?
N2 C10 C11 B13 -113.5(4) . . . . ?
N2 C10 C11 B14 -40.2(5) . . . . ?
N2 C10 C11 B15 34.5(5) . . . . ?
N2 C10 C11 B16 106.8(4) . . . . ?
N2 C10 C11 C12 176.8(4) . . . . ?
C1 C2 B3 B4 36.2(3) . . . . ?
C1 C2 B3 B7 138.8(4) . . . . ?
C1 C2 B3 B8 98.3(4) . . . . ?
C1 C2 B6 B5 -36.0(3) . . . . ?
C1 C2 B6 B10 -98.3(4) . . . . ?
C1 C2 B6 B11 -137.7(4) . . . . ?
C1 C2 B7 B3 -38.5(4) . . . . ?
C1 C2 B7 B8 2.1(6) . . . . ?
C1 C2 B7 B11 103.8(5) . . . . ?
C1 C2 B7 B12 64.2(5) . . . . ?
C1 C2 B11 B6 39.6(4) . . . . ?
C1 C2 B11 B7 -103.7(4) . . . . ?
C1 C2 B11 B10 -0.2(5) . . . . ?
C1 C2 B11 B12 -63.9(5) . . . . ?
C1 B3 B4 B5 33.6(3) . . . . ?
C1 B3 B4 B8 134.8(4) . . . . ?
C1 B3 B4 B9 97.5(4) . . . . ?
C1 B3 B7 C2 35.0(4) . . . . ?
C1 B3 B7 B8 -98.5(4) . . . . ?
C1 B3 B7 B11 2.0(6) . . . . ?
C1 B3 B7 B12 -61.4(5) . . . . ?
C1 B3 B8 B4 -38.5(3) . . . . ?
C1 B3 B8 B7 99.2(4) . . . . ?
C1 B3 B8 B9 -1.7(5) . . . . ?
C1 B3 B8 B12 62.3(5) . . . . ?
C1 B4 B5 B6 34.2(3) . . . . ?
C1 B4 B5 B9 135.0(4) . . . . ?
C1 B4 B5 B10 96.7(4) . . . . ?
C1 B4 B8 B3 39.5(4) . . . . ?
C1 B4 B8 B7 2.0(5) . . . . ?
C1 B4 B8 B9 -99.1(4) . . . . ?
C1 B4 B8 B12 -61.1(5) . . . . ?
C1 B4 B9 B5 -38.9(3) . . . . ?
C1 B4 B9 B8 99.7(4) . . . . ?
C1 B4 B9 B10 -1.0(5) . . . . ?
C1 B4 B9 B12 62.4(5) . . . . ?
C1 B5 B6 C2 35.7(3) . . . . ?
C1 B5 B6 B10 134.2(4) . . . . ?
C1 B5 B6 B11 95.9(4) . . . . ?
C1 B5 B9 B4 38.7(3) . . . . ?
C1 B5 B9 B8 1.4(5) . . . . ?
C1 B5 B9 B10 -98.7(4) . . . . ?
C1 B5 B9 B12 -61.5(5) . . . . ?
C1 B5 B10 B6 -39.6(4) . . . . ?
C1 B5 B10 B9 99.1(4) . . . . ?
C1 B5 B10 B11 -0.8(5) . . . . ?
C1 B5 B10 B12 62.1(5) . . . . ?
C1 B6 B10 B5 38.9(4) . . . . ?
C1 B6 B10 B9 2.0(6) . . . . ?
C1 B6 B10 B11 -97.9(4) . . . . ?
C1 B6 B10 B12 -61.3(5) . . . . ?
C1 B6 B11 C2 -35.7(3) . . . . ?
C1 B6 B11 B7 -2.7(6) . . . . ?
C1 B6 B11 B10 98.8(4) . . . . ?
C1 B6 B11 B12 61.4(6) . . . . ?
C2 C1 B3 B4 -137.5(4) . . . . ?
C2 C1 B3 B7 -35.6(4) . . . . ?
C2 C1 B3 B8 -98.1(4) . . . . ?
C2 C1 B4 B3 39.0(4) . . . . ?
C2 C1 B4 B5 -103.1(4) . . . . ?
C2 C1 B4 B8 -0.7(5) . . . . ?
C2 C1 B4 B9 -63.6(5) . . . . ?
C2 C1 B5 B4 102.8(4) . . . . ?
C2 C1 B5 B6 -38.8(4) . . . . ?
C2 C1 B5 B9 63.7(5) . . . . ?
C2 C1 B5 B10 0.7(5) . . . . ?
C2 C1 B6 B5 137.7(4) . . . . ?
C2 C1 B6 B10 97.7(4) . . . . ?
C2 C1 B6 B11 35.9(4) . . . . ?
C2 C1 C3 S1 176.0(3) . . . . ?
C2 C1 C3 N1 -2.4(6) . . . . ?
C2 B3 B4 C1 -35.9(3) . . . . ?
C2 B3 B4 B5 -2.2(5) . . . . ?
C2 B3 B4 B8 98.9(4) . . . . ?
C2 B3 B4 B9 61.7(5) . . . . ?
C2 B3 B7 B8 -133.5(4) . . . . ?
C2 B3 B7 B11 -33.0(4) . . . . ?
C2 B3 B7 B12 -96.4(5) . . . . ?
C2 B3 B8 B4 -97.9(4) . . . . ?
C2 B3 B8 B7 39.9(4) . . . . ?
C2 B3 B8 B9 -61.1(5) . . . . ?
C2 B3 B8 B12 2.9(5) . . . . ?
C2 B6 B10 B5 98.2(4) . . . . ?
C2 B6 B10 B9 61.4(5) . . . . ?
C2 B6 B10 B11 -38.6(4) . . . . ?
C2 B6 B10 B12 -2.0(5) . . . . ?
C2 B6 B11 B7 33.0(4) . . . . ?
C2 B6 B11 B10 134.5(4) . . . . ?
C2 B6 B11 B12 97.1(5) . . . . ?
C2 B7 B8 B3 -40.1(4) . . . . ?
C2 B7 B8 B4 -2.5(6) . . . . ?
C2 B7 B8 B9 60.4(5) . . . . ?
C2 B7 B8 B12 98.4(5) . . . . ?
C2 B7 B11 B6 -33.0(4) . . . . ?
C2 B7 B11 B10 -96.9(4) . . . . ?
C2 B7 B11 B12 -134.5(4) . . . . ?
C2 B7 B12 B8 -99.0(4) . . . . ?
C2 B7 B12 B9 -61.3(5) . . . . ?
C2 B7 B12 B10 2.2(5) . . . . ?
C2 B7 B12 B11 38.7(4) . . . . ?
C2 B11 B12 B7 -39.6(4) . . . . ?
C2 B11 B12 B8 -1.5(6) . . . . ?
C2 B11 B12 B9 61.8(6) . . . . ?
C2 B11 B12 B10 99.3(5) . . . . ?
B3 C1 C2 B6 146.5(4) . . . . ?
B3 C1 C2 B7 38.7(4) . . . . ?
B3 C1 C2 B11 106.5(5) . . . . ?
B3 C1 B4 B5 -142.2(4) . . . . ?
B3 C1 B4 B8 -39.7(4) . . . . ?
B3 C1 B4 B9 -102.6(4) . . . . ?
B3 C1 B5 B4 36.5(4) . . . . ?
B3 C1 B5 B6 -105.1(4) . . . . ?
B3 C1 B5 B9 -2.7(5) . . . . ?
B3 C1 B5 B10 -65.7(5) . . . . ?
B3 C1 B6 C2 -31.8(4) . . . . ?
B3 C1 B6 B5 105.9(4) . . . . ?
B3 C1 B6 B10 66.0(5) . . . . ?
B3 C1 B6 B11 4.1(5) . . . . ?
B3 C1 C3 S1 -112.7(4) . . . . ?
B3 C1 C3 N1 68.9(5) . . . . ?
B3 C2 B6 C1 32.5(4) . . . . ?
B3 C2 B6 B5 -3.5(5) . . . . ?
B3 C2 B6 B10 -65.7(5) . . . . ?
B3 C2 B6 B11 -105.2(5) . . . . ?
B3 C2 B7 B8 40.6(4) . . . . ?
B3 C2 B7 B11 142.3(4) . . . . ?
B3 C2 B7 B12 102.7(4) . . . . ?
B3 C2 B11 B6 107.2(4) . . . . ?
B3 C2 B11 B7 -36.2(4) . . . . ?
B3 C2 B11 B10 67.4(5) . . . . ?
B3 C2 B11 B12 3.6(6) . . . . ?
B3 B4 B5 C1 -34.0(3) . . . . ?
B3 B4 B5 B6 0.3(5) . . . . ?
B3 B4 B5 B9 101.0(4) . . . . ?
B3 B4 B5 B10 62.7(5) . . . . ?
B3 B4 B8 B7 -37.5(4) . . . . ?
B3 B4 B8 B9 -138.6(4) . . . . ?
B3 B4 B8 B12 -100.6(4) . . . . ?
B3 B4 B9 B5 -101.4(4) . . . . ?
B3 B4 B9 B8 37.1(4) . . . . ?
B3 B4 B9 B10 -63.5(5) . . . . ?
B3 B4 B9 B12 -0.2(5) . . . . ?
B3 B7 B8 B4 37.7(4) . . . . ?
B3 B7 B8 B9 100.6(4) . . . . ?
B3 B7 B8 B12 138.5(4) . . . . ?
B3 B7 B11 C2 33.4(4) . . . . ?
B3 B7 B11 B6 0.4(6) . . . . ?
B3 B7 B11 B10 -63.5(5) . . . . ?
B3 B7 B11 B12 -101.1(5) . . . . ?
B3 B7 B12 B8 -37.2(4) . . . . ?
B3 B7 B12 B9 0.5(6) . . . . ?
B3 B7 B12 B10 64.0(5) . . . . ?
B3 B7 B12 B11 100.5(4) . . . . ?
B3 B8 B9 B4 -37.0(4) . . . . ?
B3 B8 B9 B5 0.2(5) . . . . ?
B3 B8 B9 B10 63.5(5) . . . . ?
B3 B8 B9 B12 100.8(4) . . . . ?
B3 B8 B12 B7 36.9(4) . . . . ?
B3 B8 B12 B9 -100.9(4) . . . . ?
B3 B8 B12 B10 -63.5(5) . . . . ?
B3 B8 B12 B11 -0.9(6) . . . . ?
B4 C1 C2 B3 -39.6(4) . . . . ?
B4 C1 C2 B6 106.9(4) . . . . ?
B4 C1 C2 B7 -0.9(5) . . . . ?
B4 C1 C2 B11 66.9(5) . . . . ?
B4 C1 B3 C2 137.5(4) . . . . ?
B4 C1 B3 B7 101.9(4) . . . . ?
B4 C1 B3 B8 39.4(4) . . . . ?
B4 C1 B5 B6 -141.6(4) . . . . ?
B4 C1 B5 B9 -39.2(3) . . . . ?
B4 C1 B5 B10 -102.1(4) . . . . ?
B4 C1 B6 C2 -100.6(4) . . . . ?
B4 C1 B6 B5 37.1(4) . . . . ?
B4 C1 B6 B10 -2.8(5) . . . . ?
B4 C1 B6 B11 -64.6(5) . . . . ?
B4 C1 C3 S1 -39.6(5) . . . . ?
B4 C1 C3 N1 142.0(4) . . . . ?
B4 B3 B7 C2 95.8(4) . . . . ?
B4 B3 B7 B8 -37.7(4) . . . . ?
B4 B3 B7 B11 62.8(5) . . . . ?
B4 B3 B7 B12 -0.6(5) . . . . ?
B4 B3 B8 B7 137.8(4) . . . . ?
B4 B3 B8 B9 36.8(4) . . . . ?
B4 B3 B8 B12 100.8(4) . . . . ?
B4 B5 B6 C1 -33.9(3) . . . . ?
B4 B5 B6 C2 1.8(5) . . . . ?
B4 B5 B6 B10 100.3(4) . . . . ?
B4 B5 B6 B11 62.0(5) . . . . ?
B4 B5 B9 B8 -37.2(4) . . . . ?
B4 B5 B9 B10 -137.4(4) . . . . ?
B4 B5 B9 B12 -100.1(5) . . . . ?
B4 B5 B10 B6 -100.9(4) . . . . ?
B4 B5 B10 B9 37.9(4) . . . . ?
B4 B5 B10 B11 -62.0(5) . . . . ?
B4 B5 B10 B12 0.9(6) . . . . ?
B4 B8 B9 B5 37.2(4) . . . . ?
B4 B8 B9 B10 100.5(4) . . . . ?
B4 B8 B9 B12 137.8(4) . . . . ?
B4 B8 B12 B7 100.4(4) . . . . ?
B4 B8 B12 B9 -37.5(4) . . . . ?
B4 B8 B12 B10 -0.1(6) . . . . ?
B4 B8 B12 B11 62.5(5) . . . . ?
B4 B9 B10 B5 -38.0(4) . . . . ?
B4 B9 B10 B6 -0.7(6) . . . . ?
B4 B9 B10 B11 63.1(5) . . . . ?
B4 B9 B10 B12 100.4(4) . . . . ?
B4 B9 B12 B7 -0.2(5) . . . . ?
B4 B9 B12 B8 37.7(4) . . . . ?
B4 B9 B12 B10 -100.6(4) . . . . ?
B4 B9 B12 B11 -63.5(5) . . . . ?
B5 C1 C2 B3 -106.8(4) . . . . ?
B5 C1 C2 B6 39.6(4) . . . . ?
B5 C1 C2 B7 -68.2(5) . . . . ?
B5 C1 C2 B11 -0.4(5) . . . . ?
B5 C1 B3 C2 100.9(4) . . . . ?
B5 C1 B3 B4 -36.6(4) . . . . ?
B5 C1 B3 B7 65.3(5) . . . . ?
B5 C1 B3 B8 2.8(5) . . . . ?
B5 C1 B4 B3 142.2(4) . . . . ?
B5 C1 B4 B8 102.4(4) . . . . ?
B5 C1 B4 B9 39.6(4) . . . . ?
B5 C1 B6 C2 -137.7(4) . . . . ?
B5 C1 B6 B10 -40.0(4) . . . . ?
B5 C1 B6 B11 -101.8(4) . . . . ?
B5 C1 C3 S1 34.1(5) . . . . ?
B5 C1 C3 N1 -144.3(4) . . . . ?
B5 B4 B8 B3 101.3(4) . . . . ?
B5 B4 B8 B7 63.8(5) . . . . ?
B5 B4 B8 B9 -37.3(4) . . . . ?
B5 B4 B8 B12 0.7(5) . . . . ?
B5 B4 B9 B8 138.6(4) . . . . ?
B5 B4 B9 B10 37.9(4) . . . . ?
B5 B4 B9 B12 101.2(4) . . . . ?
B5 B6 B10 B9 -36.8(4) . . . . ?
B5 B6 B10 B11 -136.7(4) . . . . ?
B5 B6 B10 B12 -100.2(4) . . . . ?
B5 B6 B11 C2 -96.0(4) . . . . ?
B5 B6 B11 B7 -62.9(6) . . . . ?
B5 B6 B11 B10 38.5(4) . . . . ?
B5 B6 B11 B12 1.1(6) . . . . ?
B5 B9 B10 B6 37.3(4) . . . . ?
B5 B9 B10 B11 101.2(4) . . . . ?
B5 B9 B10 B12 138.4(4) . . . . ?
B5 B9 B12 B7 63.3(5) . . . . ?
B5 B9 B12 B8 101.2(4) . . . . ?
B5 B9 B12 B10 -37.1(4) . . . . ?
B5 B9 B12 B11 0.0(6) . . . . ?
B5 B10 B11 C2 0.6(5) . . . . ?
B5 B10 B11 B6 -39.0(4) . . . . ?
B5 B10 B11 B7 63.0(5) . . . . ?
B5 B10 B11 B12 100.2(4) . . . . ?
B5 B10 B12 B7 -64.3(5) . . . . ?
B5 B10 B12 B8 -0.5(6) . . . . ?
B5 B10 B12 B9 36.8(4) . . . . ?
B5 B10 B12 B11 -101.1(5) . . . . ?
B6 C1 C2 B3 -146.5(4) . . . . ?
B6 C1 C2 B7 -107.8(5) . . . . ?
B6 C1 C2 B11 -40.0(4) . . . . ?
B6 C1 B3 C2 31.7(4) . . . . ?
B6 C1 B3 B4 -105.8(4) . . . . ?
B6 C1 B3 B7 -4.0(5) . . . . ?
B6 C1 B3 B8 -66.4(5) . . . . ?
B6 C1 B4 B3 105.0(4) . . . . ?
B6 C1 B4 B5 -37.1(4) . . . . ?
B6 C1 B4 B8 65.3(5) . . . . ?
B6 C1 B4 B9 2.4(5) . . . . ?
B6 C1 B5 B4 141.6(4) . . . . ?
B6 C1 B5 B9 102.4(4) . . . . ?
B6 C1 B5 B10 39.5(4) . . . . ?
B6 C1 C3 S1 106.0(4) . . . . ?
B6 C1 C3 N1 -72.4(5) . . . . ?
B6 C2 B3 C1 -32.6(4) . . . . ?
B6 C2 B3 B4 3.6(5) . . . . ?
B6 C2 B3 B7 106.2(5) . . . . ?
B6 C2 B3 B8 65.7(5) . . . . ?
B6 C2 B7 B3 -106.5(4) . . . . ?
B6 C2 B7 B8 -65.9(5) . . . . ?
B6 C2 B7 B11 35.8(4) . . . . ?
B6 C2 B7 B12 -3.8(5) . . . . ?
B6 C2 B11 B7 -143.4(4) . . . . ?
B6 C2 B11 B10 -39.8(4) . . . . ?
B6 C2 B11 B12 -103.5(5) . . . . ?
B6 B5 B9 B4 100.8(4) . . . . ?
B6 B5 B9 B8 63.6(5) . . . . ?
B6 B5 B9 B10 -36.5(4) . . . . ?
B6 B5 B9 B12 0.7(6) . . . . ?
B6 B5 B10 B9 138.7(4) . . . . ?
B6 B5 B10 B11 38.8(4) . . . . ?
B6 B5 B10 B12 101.8(5) . . . . ?
B6 B10 B11 C2 39.6(4) . . . . ?
B6 B10 B11 B7 102.0(4) . . . . ?
B6 B10 B11 B12 139.1(4) . . . . ?
B6 B10 B12 B7 -0.1(6) . . . . ?
B6 B10 B12 B8 63.7(5) . . . . ?
B6 B10 B12 B9 101.0(4) . . . . ?
B6 B10 B12 B11 -36.9(4) . . . . ?
B6 B11 B12 B7 -102.0(5) . . . . ?
B6 B11 B12 B8 -64.0(6) . . . . ?
B6 B11 B12 B9 -0.7(6) . . . . ?
B6 B11 B12 B10 36.9(4) . . . . ?
B7 C2 B3 C1 -138.8(4) . . . . ?
B7 C2 B3 B4 -102.6(4) . . . . ?
B7 C2 B3 B8 -40.5(4) . . . . ?
B7 C2 B6 C1 102.0(4) . . . . ?
B7 C2 B6 B5 66.0(5) . . . . ?
B7 C2 B6 B10 3.7(5) . . . . ?
B7 C2 B6 B11 -35.8(4) . . . . ?
B7 C2 B11 B6 143.4(4) . . . . ?
B7 C2 B11 B10 103.6(4) . . . . ?
B7 C2 B11 B12 39.8(4) . . . . ?
B7 B3 B4 C1 -97.0(4) . . . . ?
B7 B3 B4 B5 -63.4(5) . . . . ?
B7 B3 B4 B8 37.7(4) . . . . ?
B7 B3 B4 B9 0.5(5) . . . . ?
B7 B3 B8 B4 -137.8(4) . . . . ?
B7 B3 B8 B9 -101.0(4) . . . . ?
B7 B3 B8 B12 -36.9(4) . . . . ?
B7 B8 B9 B4 -100.2(4) . . . . ?
B7 B8 B9 B5 -63.0(5) . . . . ?
B7 B8 B9 B10 0.3(5) . . . . ?
B7 B8 B9 B12 37.6(4) . . . . ?
B7 B8 B12 B9 -137.9(4) . . . . ?
B7 B8 B12 B10 -100.5(5) . . . . ?
B7 B8 B12 B11 -37.8(4) . . . . ?
B7 B11 B12 B8 38.0(4) . . . . ?
B7 B11 B12 B9 101.3(5) . . . . ?
B7 B11 B12 B10 138.8(4) . . . . ?
B8 B3 B4 C1 -134.8(4) . . . . ?
B8 B3 B4 B5 -101.1(4) . . . . ?
B8 B3 B4 B9 -37.3(4) . . . . ?
B8 B3 B7 C2 133.5(4) . . . . ?
B8 B3 B7 B11 100.5(5) . . . . ?
B8 B3 B7 B12 37.1(4) . . . . ?
B8 B4 B5 C1 -97.7(4) . . . . ?
B8 B4 B5 B6 -63.4(5) . . . . ?
B8 B4 B5 B9 37.3(4) . . . . ?
B8 B4 B5 B10 -1.0(5) . . . . ?
B8 B4 B9 B5 -138.6(4) . . . . ?
B8 B4 B9 B10 -100.6(4) . . . . ?
B8 B4 B9 B12 -37.3(4) . . . . ?
B8 B7 B11 C2 96.9(4) . . . . ?
B8 B7 B11 B6 63.9(5) . . . . ?
B8 B7 B11 B10 0.0(5) . . . . ?
B8 B7 B11 B12 -37.7(4) . . . . ?
B8 B7 B12 B9 37.7(4) . . . . ?
B8 B7 B12 B10 101.2(4) . . . . ?
B8 B7 B12 B11 137.7(4) . . . . ?
B8 B9 B10 B5 -101.5(4) . . . . ?
B8 B9 B10 B6 -64.2(5) . . . . ?
B8 B9 B10 B11 -0.3(5) . . . . ?
B8 B9 B10 B12 36.9(4) . . . . ?
B8 B9 B12 B7 -37.9(4) . . . . ?
B8 B9 B12 B10 -138.3(4) . . . . ?
B8 B9 B12 B11 -101.2(5) . . . . ?
B9 B4 B5 C1 -135.0(4) . . . . ?
B9 B4 B5 B6 -100.8(4) . . . . ?
B9 B4 B5 B10 -38.3(4) . . . . ?
B9 B4 B8 B3 138.6(4) . . . . ?
B9 B4 B8 B7 101.1(5) . . . . ?
B9 B4 B8 B12 38.0(4) . . . . ?
B9 B5 B6 C1 -97.0(4) . . . . ?
B9 B5 B6 C2 -61.3(5) . . . . ?
B9 B5 B6 B10 37.2(4) . . . . ?
B9 B5 B6 B11 -1.1(5) . . . . ?
B9 B5 B10 B6 -138.7(4) . . . . ?
B9 B5 B10 B11 -99.9(5) . . . . ?
B9 B5 B10 B12 -37.0(4) . . . . ?
B9 B8 B12 B7 137.9(4) . . . . ?
B9 B8 B12 B10 37.4(4) . . . . ?
B9 B8 B12 B11 100.0(5) . . . . ?
B9 B10 B11 C2 -62.2(5) . . . . ?
B9 B10 B11 B6 -101.7(4) . . . . ?
B9 B10 B11 B7 0.2(5) . . . . ?
B9 B10 B11 B12 37.4(4) . . . . ?
B9 B10 B12 B7 -101.2(4) . . . . ?
B9 B10 B12 B8 -37.3(4) . . . . ?
B9 B10 B12 B11 -137.9(4) . . . . ?
B10 B5 B6 C1 -134.2(4) . . . . ?
B10 B5 B6 C2 -98.5(4) . . . . ?
B10 B5 B6 B11 -38.3(4) . . . . ?
B10 B5 B9 B4 137.4(4) . . . . ?
B10 B5 B9 B8 100.1(5) . . . . ?
B10 B5 B9 B12 37.2(4) . . . . ?
B10 B6 B11 C2 -134.5(4) . . . . ?
B10 B6 B11 B7 -101.4(5) . . . . ?
B10 B6 B11 B12 -37.4(4) . . . . ?
B10 B9 B12 B7 100.4(4) . . . . ?
B10 B9 B12 B8 138.3(4) . . . . ?
B10 B9 B12 B11 37.1(4) . . . . ?
B10 B11 B12 B7 -138.8(4) . . . . ?
B10 B11 B12 B8 -100.8(4) . . . . ?
B10 B11 B12 B9 -37.5(4) . . . . ?
B11 C2 B3 C1 -102.4(5) . . . . ?
B11 C2 B3 B4 -66.2(5) . . . . ?
B11 C2 B3 B7 36.4(5) . . . . ?
B11 C2 B3 B8 -4.1(5) . . . . ?
B11 C2 B6 C1 137.7(4) . . . . ?
B11 C2 B6 B5 101.7(4) . . . . ?
B11 C2 B6 B10 39.5(4) . . . . ?
B11 C2 B7 B3 -142.3(5) . . . . ?
B11 C2 B7 B8 -101.7(5) . . . . ?
B11 C2 B7 B12 -39.6(4) . . . . ?
B11 B6 B10 B5 136.7(4) . . . . ?
B11 B6 B10 B9 99.9(5) . . . . ?
B11 B6 B10 B12 36.5(4) . . . . ?
B11 B7 B8 B3 -100.8(4) . . . . ?
B11 B7 B8 B4 -63.1(5) . . . . ?
B11 B7 B8 B9 -0.2(5) . . . . ?
B11 B7 B8 B12 37.7(4) . . . . ?
B11 B7 B12 B8 -137.7(4) . . . . ?
B11 B7 B12 B9 -100.0(4) . . . . ?
B11 B7 B12 B10 -36.4(4) . . . . ?
B11 B10 B12 B7 36.7(4) . . . . ?
B11 B10 B12 B8 100.6(5) . . . . ?
B11 B10 B12 B9 137.9(4) . . . . ?
B12 B7 B8 B3 -138.5(4) . . . . ?
B12 B7 B8 B4 -100.9(4) . . . . ?
B12 B7 B8 B9 -37.9(4) . . . . ?
B12 B7 B11 C2 134.5(4) . . . . ?
B12 B7 B11 B6 101.5(5) . . . . ?
B12 B7 B11 B10 37.6(4) . . . . ?
B12 B8 B9 B4 -137.8(4) . . . . ?
B12 B8 B9 B5 -100.5(4) . . . . ?
B12 B8 B9 B10 -37.2(4) . . . . ?
B12 B9 B10 B5 -138.4(4) . . . . ?
B12 B9 B10 B6 -101.1(5) . . . . ?
B12 B9 B10 B11 -37.3(4) . . . . ?
B12 B10 B11 C2 -99.5(5) . . . . ?
B12 B10 B11 B6 -139.1(4) . . . . ?
B12 B10 B11 B7 -37.1(4) . . . . ?
B13 B14 B15 B16 -1.0(5) . . . . ?
B13 B14 B15 B19 99.7(4) . . . . ?
B13 B14 B15 B20 62.5(4) . . . . ?
B13 B14 B15 C11 -34.5(3) . . . . ?
B13 B14 B18 B17 -37.2(4) . . . . ?
B13 B14 B18 B19 -137.4(4) . . . . ?
B13 B14 B18 B22 -100.3(4) . . . . ?
B13 B14 B19 B15 -100.8(4) . . . . ?
B13 B14 B19 B18 37.3(4) . . . . ?
B13 B14 B19 B20 -63.7(5) . . . . ?
B13 B14 B19 B22 0.0(5) . . . . ?
B13 B14 C11 B15 140.9(4) . . . . ?
B13 B14 C11 B16 104.5(4) . . . . ?
B13 B14 C11 C10 -107.8(4) . . . . ?
B13 B14 C11 C12 37.6(4) . . . . ?
B13 B17 B18 B14 37.4(4) . . . . ?
B13 B17 B18 B19 100.6(4) . . . . ?
B13 B17 B18 B22 137.6(4) . . . . ?
B13 B17 B21 B16 0.1(5) . . . . ?
B13 B17 B21 B20 -63.8(5) . . . . ?
B13 B17 B21 B22 -100.8(4) . . . . ?
B13 B17 B21 C12 34.1(4) . . . . ?
B13 B17 B22 B18 -37.5(4) . . . . ?
B13 B17 B22 B19 -0.3(5) . . . . ?
B13 B17 B22 B20 63.3(5) . . . . ?
B13 B17 B22 B21 100.2(4) . . . . ?
B13 B17 C12 B16 -104.9(4) . . . . ?
B13 B17 C12 B21 -141.3(4) . . . . ?
B13 B17 C12 C11 -38.4(4) . . . . ?
B13 B18 B19 B14 -38.1(4) . . . . ?
B13 B18 B19 B15 -0.6(6) . . . . ?
B13 B18 B19 B20 62.9(5) . . . . ?
B13 B18 B19 B22 100.2(4) . . . . ?
B13 B18 B22 B17 37.7(4) . . . . ?
B13 B18 B22 B19 -100.7(4) . . . . ?
B13 B18 B22 B20 -63.5(5) . . . . ?
B13 B18 B22 B21 -0.4(6) . . . . ?
B13 C11 C12 B16 145.3(4) . . . . ?
B13 C11 C12 B17 38.7(4) . . . . ?
B13 C11 C12 B21 106.7(4) . . . . ?
B14 B13 B17 B18 -37.7(4) . . . . ?
B14 B13 B17 B21 63.6(5) . . . . ?
B14 B13 B17 B22 0.3(5) . . . . ?
B14 B13 B17 C12 97.5(4) . . . . ?
B14 B13 B18 B17 138.5(4) . . . . ?
B14 B13 B18 B19 37.9(4) . . . . ?
B14 B13 B18 B22 101.0(4) . . . . ?
B14 B13 C11 B15 -37.5(4) . . . . ?
B14 B13 C11 B16 -106.2(4) . . . . ?
B14 B13 C11 C10 112.7(4) . . . . ?
B14 B13 C11 C12 -139.1(4) . . . . ?
B14 B13 C12 B16 2.8(5) . . . . ?
B14 B13 C12 B17 -103.0(4) . . . . ?
B14 B13 C12 B21 -65.5(4) . . . . ?
B14 B13 C12 C11 35.6(3) . . . . ?
B14 B15 B16 B20 101.2(4) . . . . ?
B14 B15 B16 B21 63.6(4) . . . . ?
B14 B15 B16 C11 -33.4(3) . . . . ?
B14 B15 B16 C12 2.5(5) . . . . ?
B14 B15 B19 B18 -37.5(4) . . . . ?
B14 B15 B19 B20 -138.6(4) . . . . ?
B14 B15 B19 B22 -101.1(4) . . . . ?
B14 B15 B20 B16 -100.9(4) . . . . ?
B14 B15 B20 B19 37.1(4) . . . . ?
B14 B15 B20 B21 -63.4(5) . . . . ?
B14 B15 B20 B22 -0.2(5) . . . . ?
B14 B15 C11 B13 37.5(4) . . . . ?
B14 B15 C11 B16 142.3(4) . . . . ?
B14 B15 C11 C10 -111.9(4) . . . . ?
B14 B15 C11 C12 103.3(4) . . . . ?
B14 B18 B19 B15 37.6(4) . . . . ?
B14 B18 B19 B20 101.1(4) . . . . ?
B14 B18 B19 B22 138.4(4) . . . . ?
B14 B18 B22 B17 101.4(4) . . . . ?
B14 B18 B22 B19 -37.1(4) . . . . ?
B14 B18 B22 B20 0.2(5) . . . . ?
B14 B18 B22 B21 63.3(5) . . . . ?
B14 B19 B20 B15 -37.1(4) . . . . ?
B14 B19 B20 B16 0.4(5) . . . . ?
B14 B19 B20 B21 63.4(5) . . . . ?
B14 B19 B20 B22 100.9(4) . . . . ?
B14 B19 B22 B17 0.2(6) . . . . ?
B14 B19 B22 B18 37.3(4) . . . . ?
B14 B19 B22 B20 -101.1(4) . . . . ?
B14 B19 B22 B21 -63.8(5) . . . . ?
B14 C11 C12 B13 -38.4(4) . . . . ?
B14 C11 C12 B16 107.0(4) . . . . ?
B14 C11 C12 B17 0.3(5) . . . . ?
B14 C11 C12 B21 68.3(5) . . . . ?
B15 B14 B18 B13 100.0(4) . . . . ?
B15 B14 B18 B17 62.8(5) . . . . ?
B15 B14 B18 B19 -37.4(4) . . . . ?
B15 B14 B18 B22 -0.3(5) . . . . ?
B15 B14 B19 B18 138.1(4) . . . . ?
B15 B14 B19 B20 37.1(4) . . . . ?
B15 B14 B19 B22 100.8(4) . . . . ?
B15 B14 C11 B13 -140.9(4) . . . . ?
B15 B14 C11 B16 -36.4(4) . . . . ?
B15 B14 C11 C10 111.2(4) . . . . ?
B15 B14 C11 C12 -103.3(4) . . . . ?
B15 B16 B20 B19 -37.3(4) . . . . ?
B15 B16 B20 B21 -137.8(4) . . . . ?
B15 B16 B20 B22 -100.5(4) . . . . ?
B15 B16 B21 B17 -63.1(5) . . . . ?
B15 B16 B21 B20 37.6(4) . . . . ?
B15 B16 B21 B22 -0.1(5) . . . . ?
B15 B16 B21 C12 -96.7(4) . . . . ?
B15 B16 C11 B13 105.3(4) . . . . ?
B15 B16 C11 B14 36.5(4) . . . . ?
B15 B16 C11 C10 -112.9(4) . . . . ?
B15 B16 C11 C12 137.8(4) . . . . ?
B15 B16 C12 B13 -3.3(5) . . . . ?
B15 B16 C12 B17 65.2(5) . . . . ?
B15 B16 C12 B21 102.1(4) . . . . ?
B15 B16 C12 C11 -36.2(3) . . . . ?
B15 B19 B20 B16 37.5(4) . . . . ?
B15 B19 B20 B21 100.6(4) . . . . ?
B15 B19 B20 B22 138.0(4) . . . . ?
B15 B19 B22 B17 63.8(5) . . . . ?
B15 B19 B22 B18 100.9(4) . . . . ?
B15 B19 B22 B20 -37.5(4) . . . . ?
B15 B19 B22 B21 -0.2(5) . . . . ?
B15 B20 B21 B16 -37.7(4) . . . . ?
B15 B20 B21 B17 63.8(5) . . . . ?
B15 B20 B21 B22 100.4(4) . . . . ?
B15 B20 B21 C12 2.3(5) . . . . ?
B15 B20 B22 B17 -63.5(5) . . . . ?
B15 B20 B22 B18 0.0(5) . . . . ?
B15 B20 B22 B19 37.3(4) . . . . ?
B15 B20 B22 B21 -100.7(4) . . . . ?
B15 C11 C12 B13 -105.8(4) . . . . ?
B15 C11 C12 B16 39.5(4) . . . . ?
B15 C11 C12 B17 -67.1(5) . . . . ?
B15 C11 C12 B21 0.8(5) . . . . ?
B16 B15 B19 B14 101.2(4) . . . . ?
B16 B15 B19 B18 63.7(5) . . . . ?
B16 B15 B19 B20 -37.4(4) . . . . ?
B16 B15 B19 B22 0.1(5) . . . . ?
B16 B15 B20 B19 138.1(4) . . . . ?
B16 B15 B20 B21 37.5(4) . . . . ?
B16 B15 B20 B22 100.8(4) . . . . ?
B16 B15 C11 B13 -104.9(4) . . . . ?
B16 B15 C11 B14 -142.3(4) . . . . ?
B16 B15 C11 C10 105.8(4) . . . . ?
B16 B15 C11 C12 -39.0(3) . . . . ?
B16 B20 B21 B17 101.5(4) . . . . ?
B16 B20 B21 B22 138.1(4) . . . . ?
B16 B20 B21 C12 40.0(4) . . . . ?
B16 B20 B22 B17 0.0(5) . . . . ?
B16 B20 B22 B18 63.5(5) . . . . ?
B16 B20 B22 B19 100.7(4) . . . . ?
B16 B20 B22 B21 -37.3(4) . . . . ?
B16 B21 B22 B17 -101.1(4) . . . . ?
B16 B21 B22 B18 -63.3(5) . . . . ?
B16 B21 B22 B19 0.2(5) . . . . ?
B16 B21 B22 B20 37.7(4) . . . . ?
B16 B21 C12 B13 105.0(4) . . . . ?
B16 B21 C12 B17 142.1(4) . . . . ?
B16 B21 C12 C11 38.3(3) . . . . ?
B16 C11 C12 B13 -145.3(4) . . . . ?
B16 C11 C12 B17 -106.6(4) . . . . ?
B16 C11 C12 B21 -38.7(4) . . . . ?
B17 B13 B14 B15 -63.1(5) . . . . ?
B17 B13 B14 B18 37.6(4) . . . . ?
B17 B13 B14 B19 -0.2(5) . . . . ?
B17 B13 B14 C11 -97.5(4) . . . . ?
B17 B13 B18 B14 -138.5(4) . . . . ?
B17 B13 B18 B19 -100.6(5) . . . . ?
B17 B13 B18 B22 -37.5(4) . . . . ?
B17 B13 C11 B14 102.9(4) . . . . ?
B17 B13 C11 B15 65.4(5) . . . . ?
B17 B13 C11 B16 -3.3(5) . . . . ?
B17 B13 C11 C10 -144.4(4) . . . . ?
B17 B13 C11 C12 -36.2(3) . . . . ?
B17 B13 C12 B16 105.8(4) . . . . ?
B17 B13 C12 B21 37.5(4) . . . . ?
B17 B13 C12 C11 138.6(4) . . . . ?
B17 B18 B19 B14 -101.5(4) . . . . ?
B17 B18 B19 B15 -63.9(5) . . . . ?
B17 B18 B19 B20 -0.4(5) . . . . ?
B17 B18 B19 B22 36.9(4) . . . . ?
B17 B18 B22 B19 -138.5(4) . . . . ?
B17 B18 B22 B20 -101.2(4) . . . . ?
B17 B18 B22 B21 -38.1(4) . . . . ?
B17 B21 B22 B18 37.8(4) . . . . ?
B17 B21 B22 B19 101.3(4) . . . . ?
B17 B21 B22 B20 138.8(4) . . . . ?
B17 B21 C12 B13 -37.1(4) . . . . ?
B17 B21 C12 B16 -142.1(4) . . . . ?
B17 B21 C12 C11 -103.8(4) . . . . ?
B18 B13 B14 B15 -100.8(4) . . . . ?
B18 B13 B14 B19 -37.8(4) . . . . ?
B18 B13 B14 C11 -135.1(4) . . . . ?
B18 B13 B17 B21 101.3(4) . . . . ?
B18 B13 B17 B22 38.0(4) . . . . ?
B18 B13 B17 C12 135.2(4) . . . . ?
B18 B13 C11 B14 39.7(4) . . . . ?
B18 B13 C11 B15 2.2(5) . . . . ?
B18 B13 C11 B16 -66.5(5) . . . . ?
B18 B13 C11 C10 152.5(4) . . . . ?
B18 B13 C11 C12 -99.3(4) . . . . ?
B18 B13 C12 B16 66.1(5) . . . . ?
B18 B13 C12 B17 -39.7(4) . . . . ?
B18 B13 C12 B21 -2.2(5) . . . . ?
B18 B13 C12 C11 98.9(4) . . . . ?
B18 B14 B15 B16 -63.2(4) . . . . ?
B18 B14 B15 B19 37.5(4) . . . . ?
B18 B14 B15 B20 0.3(5) . . . . ?
B18 B14 B15 C11 -96.7(4) . . . . ?
B18 B14 B19 B15 -138.1(4) . . . . ?
B18 B14 B19 B20 -101.0(4) . . . . ?
B18 B14 B19 B22 -37.3(4) . . . . ?
B18 B14 C11 B13 -38.7(4) . . . . ?
B18 B14 C11 B15 102.2(4) . . . . ?
B18 B14 C11 B16 65.8(5) . . . . ?
B18 B14 C11 C10 -146.5(4) . . . . ?
B18 B14 C11 C12 -1.1(5) . . . . ?
B18 B17 B21 B16 62.8(5) . . . . ?
B18 B17 B21 B20 -1.0(5) . . . . ?
B18 B17 B21 B22 -38.1(4) . . . . ?
B18 B17 B21 C12 96.9(4) . . . . ?
B18 B17 B22 B19 37.2(4) . . . . ?
B18 B17 B22 B20 100.9(4) . . . . ?
B18 B17 B22 B21 137.7(4) . . . . ?
B18 B17 C12 B13 39.0(4) . . . . ?
B18 B17 C12 B16 -65.9(5) . . . . ?
B18 B17 C12 B21 -102.3(4) . . . . ?
B18 B17 C12 C11 0.6(5) . . . . ?
B18 B19 B20 B15 -100.8(4) . . . . ?
B18 B19 B20 B16 -63.3(5) . . . . ?
B18 B19 B20 B21 -0.2(5) . . . . ?
B18 B19 B20 B22 37.2(4) . . . . ?
B18 B19 B22 B17 -37.1(4) . . . . ?
B18 B19 B22 B20 -138.5(4) . . . . ?
B18 B19 B22 B21 -101.2(4) . . . . ?
B19 B14 B15 B16 -100.7(4) . . . . ?
B19 B14 B15 B20 -37.2(4) . . . . ?
B19 B14 B15 C11 -134.2(4) . . . . ?
B19 B14 B18 B13 137.4(4) . . . . ?
B19 B14 B18 B17 100.2(5) . . . . ?
B19 B14 B18 B22 37.1(4) . . . . ?
B19 B14 C11 B13 -101.1(4) . . . . ?
B19 B14 C11 B15 39.8(4) . . . . ?
B19 B14 C11 B16 3.4(5) . . . . ?
B19 B14 C11 C10 151.1(4) . . . . ?
B19 B14 C11 C12 -63.5(5) . . . . ?
B19 B15 B16 B20 37.6(4) . . . . ?
B19 B15 B16 B21 0.0(5) . . . . ?
B19 B15 B16 C11 -97.0(4) . . . . ?
B19 B15 B16 C12 -61.1(4) . . . . ?
B19 B15 B20 B16 -138.1(4) . . . . ?
B19 B15 B20 B21 -100.6(4) . . . . ?
B19 B15 B20 B22 -37.3(4) . . . . ?
B19 B15 C11 B13 -2.5(5) . . . . ?
B19 B15 C11 B14 -40.0(4) . . . . ?
B19 B15 C11 B16 102.3(4) . . . . ?
B19 B15 C11 C10 -151.9(4) . . . . ?
B19 B15 C11 C12 63.3(4) . . . . ?
B19 B18 B22 B17 138.5(4) . . . . ?
B19 B18 B22 B20 37.2(4) . . . . ?
B19 B18 B22 B21 100.4(4) . . . . ?
B19 B20 B21 B16 -100.7(4) . . . . ?
B19 B20 B21 B17 0.7(5) . . . . ?
B19 B20 B21 B22 37.4(4) . . . . ?
B19 B20 B21 C12 -60.7(5) . . . . ?
B19 B20 B22 B17 -100.7(4) . . . . ?
B19 B20 B22 B18 -37.3(4) . . . . ?
B19 B20 B22 B21 -138.0(4) . . . . ?
B20 B15 B16 B21 -37.6(4) . . . . ?
B20 B15 B16 C11 -134.6(4) . . . . ?
B20 B15 B16 C12 -98.7(4) . . . . ?
B20 B15 B19 B14 138.6(4) . . . . ?
B20 B15 B19 B18 101.1(4) . . . . ?
B20 B15 B19 B22 37.6(4) . . . . ?
B20 B15 C11 B13 -65.2(5) . . . . ?
B20 B15 C11 B14 -102.7(4) . . . . ?
B20 B15 C11 B16 39.7(4) . . . . ?
B20 B15 C11 C10 145.4(4) . . . . ?
B20 B15 C11 C12 0.6(5) . . . . ?
B20 B16 B21 B17 -100.7(4) . . . . ?
B20 B16 B21 B22 -37.7(4) . . . . ?
B20 B16 B21 C12 -134.3(4) . . . . ?
B20 B16 C11 B13 65.7(4) . . . . ?
B20 B16 C11 B14 -3.1(5) . . . . ?
B20 B16 C11 B15 -39.6(3) . . . . ?
B20 B16 C11 C10 -152.5(4) . . . . ?
B20 B16 C11 C12 98.2(4) . . . . ?
B20 B16 C12 B13 -65.5(4) . . . . ?
B20 B16 C12 B17 3.0(5) . . . . ?
B20 B16 C12 B21 39.9(4) . . . . ?
B20 B16 C12 C11 -98.5(4) . . . . ?
B20 B19 B22 B17 101.3(4) . . . . ?
B20 B19 B22 B18 138.5(4) . . . . ?
B20 B19 B22 B21 37.3(4) . . . . ?
B20 B21 B22 B17 -138.8(4) . . . . ?
B20 B21 B22 B18 -101.0(4) . . . . ?
B20 B21 B22 B19 -37.5(4) . . . . ?
B20 B21 C12 B13 64.7(5) . . . . ?
B20 B21 C12 B16 -40.2(4) . . . . ?
B20 B21 C12 B17 101.8(4) . . . . ?
B20 B21 C12 C11 -1.9(5) . . . . ?
B21 B16 B20 B15 137.8(4) . . . . ?
B21 B16 B20 B19 100.5(4) . . . . ?
B21 B16 B20 B22 37.4(4) . . . . ?
B21 B16 C11 B13 3.3(5) . . . . ?
B21 B16 C11 B14 -65.5(5) . . . . ?
B21 B16 C11 B15 -102.0(4) . . . . ?
B21 B16 C11 C10 145.1(4) . . . . ?
B21 B16 C11 C12 35.9(3) . . . . ?
B21 B16 C12 B13 -105.4(4) . . . . ?
B21 B16 C12 B17 -36.9(4) . . . . ?
B21 B16 C12 C11 -138.3(4) . . . . ?
B21 B17 B18 B13 -99.8(4) . . . . ?
B21 B17 B18 B14 -62.4(5) . . . . ?
B21 B17 B18 B19 0.9(5) . . . . ?
B21 B17 B18 B22 37.9(4) . . . . ?
B21 B17 B22 B18 -137.7(4) . . . . ?
B21 B17 B22 B19 -100.5(4) . . . . ?
B21 B17 B22 B20 -36.8(4) . . . . ?
B21 B17 C12 B13 141.3(4) . . . . ?
B21 B17 C12 B16 36.4(4) . . . . ?
B21 B17 C12 C11 102.9(4) . . . . ?
B21 B20 B22 B17 37.3(4) . . . . ?
B21 B20 B22 B18 100.7(4) . . . . ?
B21 B20 B22 B19 138.0(4) . . . . ?
B22 B17 B18 B13 -137.6(4) . . . . ?
B22 B17 B18 B14 -100.2(4) . . . . ?
B22 B17 B18 B19 -37.0(4) . . . . ?
B22 B17 B21 B16 100.9(4) . . . . ?
B22 B17 B21 B20 37.1(4) . . . . ?
B22 B17 B21 C12 134.9(4) . . . . ?
B22 B17 C12 B13 101.9(4) . . . . ?
B22 B17 C12 B16 -3.0(5) . . . . ?
B22 B17 C12 B21 -39.4(4) . . . . ?
B22 B17 C12 C11 63.5(5) . . . . ?
B22 B18 B19 B14 -138.4(4) . . . . ?
B22 B18 B19 B15 -100.8(4) . . . . ?
B22 B18 B19 B20 -37.3(4) . . . . ?
B22 B19 B20 B15 -138.0(4) . . . . ?
B22 B19 B20 B16 -100.5(4) . . . . ?
B22 B19 B20 B21 -37.5(4) . . . . ?
B22 B20 B21 B16 -138.1(4) . . . . ?
B22 B20 B21 B17 -36.6(4) . . . . ?
B22 B20 B21 C12 -98.1(4) . . . . ?
B22 B21 C12 B13 1.9(5) . . . . ?
B22 B21 C12 B16 -103.1(4) . . . . ?
B22 B21 C12 B17 39.0(4) . . . . ?
B22 B21 C12 C11 -64.7(5) . . . . ?
C3 N1 C4 C5 32.2(7) . . . . ?
C3 N1 C4 C9 -143.4(5) . . . . ?
C3 C1 C2 B3 108.2(4) . . . . ?
C3 C1 C2 B6 -105.3(4) . . . . ?
C3 C1 C2 B7 146.9(4) . . . . ?
C3 C1 C2 B11 -145.3(4) . . . . ?
C3 C1 B3 C2 -110.8(4) . . . . ?
C3 C1 B3 B4 111.7(4) . . . . ?
C3 C1 B3 B7 -146.4(4) . . . . ?
C3 C1 B3 B8 151.2(4) . . . . ?
C3 C1 B4 B3 -108.7(4) . . . . ?
C3 C1 B4 B5 109.2(4) . . . . ?
C3 C1 B4 B8 -148.4(4) . . . . ?
C3 C1 B4 B9 148.8(4) . . . . ?
C3 C1 B5 B4 -111.8(4) . . . . ?
C3 C1 B5 B6 106.6(4) . . . . ?
C3 C1 B5 B9 -150.9(4) . . . . ?
C3 C1 B5 B10 146.1(4) . . . . ?
C3 C1 B6 C2 111.6(4) . . . . ?
C3 C1 B6 B5 -110.7(4) . . . . ?
C3 C1 B6 B10 -150.7(4) . . . . ?
C3 C1 B6 B11 147.5(4) . . . . ?
C4 N1 C3 S1 -21.8(6) . . . . ?
C4 N1 C3 C1 156.5(4) . . . . ?
C4 C5 C6 N2 170.2(4) . . . . ?
C4 C5 C6 C7 -3.6(7) . . . . ?
C5 C4 C9 C8 -2.1(9) . . . . ?
C5 C6 C7 C8 0.6(9) . . . . ?
C6 N2 C10 S2 17.5(6) . . . . ?
C6 N2 C10 C11 -161.0(4) . . . . ?
C6 C7 C8 C9 1.9(10) . . . . ?
C7 C8 C9 C4 -1.2(10) . . . . ?
C9 C4 C5 Rh1 -168.2(4) . . . . ?
C9 C4 C5 C6 4.4(7) . . . . ?
C10 N2 C6 C5 -27.4(7) . . . . ?
C10 N2 C6 C7 146.9(5) . . . . ?
C10 C11 C12 B13 108.3(4) . . . . ?
C10 C11 C12 B16 -106.4(4) . . . . ?
C10 C11 C12 B17 147.0(4) . . . . ?
C10 C11 C12 B21 -145.1(4) . . . . ?
C11 B13 B14 B15 34.4(3) . . . . ?
C11 B13 B14 B18 135.1(4) . . . . ?
C11 B13 B14 B19 97.3(4) . . . . ?
C11 B13 B17 B18 -99.4(4) . . . . ?
C11 B13 B17 B21 1.9(5) . . . . ?
C11 B13 B17 B22 -61.4(5) . . . . ?
C11 B13 B17 C12 35.8(3) . . . . ?
C11 B13 B18 B14 -38.8(4) . . . . ?
C11 B13 B18 B17 99.7(4) . . . . ?
C11 B13 B18 B19 -0.9(5) . . . . ?
C11 B13 B18 B22 62.2(5) . . . . ?
C11 B13 C12 B16 -32.8(3) . . . . ?
C11 B13 C12 B17 -138.6(4) . . . . ?
C11 B13 C12 B21 -101.1(4) . . . . ?
C11 B14 B15 B16 33.5(3) . . . . ?
C11 B14 B15 B19 134.2(4) . . . . ?
C11 B14 B15 B20 97.0(4) . . . . ?
C11 B14 B18 B13 38.7(3) . . . . ?
C11 B14 B18 B17 1.5(5) . . . . ?
C11 B14 B18 B19 -98.7(4) . . . . ?
C11 B14 B18 B22 -61.6(5) . . . . ?
C11 B14 B19 B15 -39.3(3) . . . . ?
C11 B14 B19 B18 98.8(4) . . . . ?
C11 B14 B19 B20 -2.2(5) . . . . ?
C11 B14 B19 B22 61.5(5) . . . . ?
C11 B15 B16 B20 134.6(4) . . . . ?
C11 B15 B16 B21 97.0(4) . . . . ?
C11 B15 B16 C12 35.9(3) . . . . ?
C11 B15 B19 B14 39.4(3) . . . . ?
C11 B15 B19 B18 1.8(5) . . . . ?
C11 B15 B19 B20 -99.3(4) . . . . ?
C11 B15 B19 B22 -61.7(5) . . . . ?
C11 B15 B20 B16 -39.3(3) . . . . ?
C11 B15 B20 B19 98.8(4) . . . . ?
C11 B15 B20 B21 -1.8(5) . . . . ?
C11 B15 B20 B22 61.5(5) . . . . ?
C11 B16 B20 B15 38.9(3) . . . . ?
C11 B16 B20 B19 1.6(5) . . . . ?
C11 B16 B20 B21 -99.0(4) . . . . ?
C11 B16 B20 B22 -61.6(4) . . . . ?
C11 B16 B21 B17 -2.0(5) . . . . ?
C11 B16 B21 B20 98.7(4) . . . . ?
C11 B16 B21 B22 61.0(5) . . . . ?
C11 B16 B21 C12 -35.6(3) . . . . ?
C11 B16 C12 B13 32.9(3) . . . . ?
C11 B16 C12 B17 101.5(4) . . . . ?
C11 B16 C12 B21 138.3(4) . . . . ?
C12 B13 B14 B15 -1.0(5) . . . . ?
C12 B13 B14 B18 99.8(4) . . . . ?
C12 B13 B14 B19 61.9(4) . . . . ?
C12 B13 B14 C11 -35.4(3) . . . . ?
C12 B13 B17 B18 -135.2(4) . . . . ?
C12 B13 B17 B21 -33.9(4) . . . . ?
C12 B13 B17 B22 -97.2(4) . . . . ?
C12 B13 B18 B14 -99.5(4) . . . . ?
C12 B13 B18 B17 39.0(4) . . . . ?
C12 B13 B18 B19 -61.6(5) . . . . ?
C12 B13 B18 B22 1.5(5) . . . . ?
C12 B13 C11 B14 139.1(4) . . . . ?
C12 B13 C11 B15 101.5(4) . . . . ?
C12 B13 C11 B16 32.8(3) . . . . ?
C12 B13 C11 C10 -108.2(4) . . . . ?
C12 B16 B20 B15 98.7(4) . . . . ?
C12 B16 B20 B19 61.4(5) . . . . ?
C12 B16 B20 B21 -39.1(4) . . . . ?
C12 B16 B20 B22 -1.7(5) . . . . ?
C12 B16 B21 B17 33.6(4) . . . . ?
C12 B16 B21 B20 134.3(4) . . . . ?
C12 B16 B21 B22 96.5(4) . . . . ?
C12 B16 C11 B13 -32.6(3) . . . . ?
C12 B16 C11 B14 -101.4(4) . . . . ?
C12 B16 C11 B15 -137.8(4) . . . . ?
C12 B16 C11 C10 109.2(4) . . . . ?
C12 B17 B18 B13 -38.7(4) . . . . ?
C12 B17 B18 B14 -1.3(5) . . . . ?
C12 B17 B18 B19 61.9(5) . . . . ?
C12 B17 B18 B22 98.9(4) . . . . ?
C12 B17 B21 B16 -34.0(4) . . . . ?
C12 B17 B21 B20 -97.9(4) . . . . ?
C12 B17 B21 B22 -134.9(4) . . . . ?
C12 B17 B22 B18 -99.1(4) . . . . ?
C12 B17 B22 B19 -61.9(5) . . . . ?
C12 B17 B22 B20 1.8(5) . . . . ?
C12 B17 B22 B21 38.6(4) . . . . ?
C12 B21 B22 B17 -38.6(4) . . . . ?
C12 B21 B22 B18 -0.9(5) . . . . ?
C12 B21 B22 B19 62.6(5) . . . . ?
C12 B21 B22 B20 100.1(4) . . . . ?
C13 C14 C15 Rh1 -64.4(3) . . . . ?
C13 C14 C15 C16 -3.5(5) . . . . ?
C13 C14 C15 C20 175.3(4) . . . . ?
C14 C13 C17 Rh1 60.2(3) . . . . ?
C14 C13 C17 C16 -3.4(5) . . . . ?
C14 C13 C17 C22 -175.2(4) . . . . ?
C14 C15 C16 Rh1 -59.1(3) . . . . ?
C14 C15 C16 C17 1.4(5) . . . . ?
C14 C15 C16 C21 177.1(4) . . . . ?
C15 C16 C17 Rh1 -61.9(3) . . . . ?
C15 C16 C17 C13 1.3(5) . . . . ?
C15 C16 C17 C22 173.1(4) . . . . ?
C17 C13 C14 Rh1 -60.9(3) . . . . ?
C17 C13 C14 C15 4.3(5) . . . . ?
C17 C13 C14 C19 175.4(4) . . . . ?
C18 C13 C14 Rh1 120.2(5) . . . . ?
C18 C13 C14 C15 -174.7(4) . . . . ?
C18 C13 C14 C19 -3.5(7) . . . . ?
C18 C13 C17 Rh1 -120.9(5) . . . . ?
C18 C13 C17 C16 175.5(4) . . . . ?
C18 C13 C17 C22 3.8(7) . . . . ?
C19 C14 C15 Rh1 124.5(5) . . . . ?
C19 C14 C15 C16 -174.6(4) . . . . ?
C19 C14 C15 C20 4.2(7) . . . . ?
C20 C15 C16 Rh1 122.2(4) . . . . ?
C20 C15 C16 C17 -177.4(4) . . . . ?
C20 C15 C16 C21 -1.6(7) . . . . ?
C21 C16 C17 Rh1 122.3(4) . . . . ?
C21 C16 C17 C13 -174.6(4) . . . . ?
C21 C16 C17 C22 -2.7(7) . . . . ?
O1 S3 C23 F1 60.6(7) . . . . ?
O1 S3 C23 F2 179.7(8) . . . . ?
O1 S3 C23 F3 -60.2(7) . . . . ?
O1 S3' C23' F1' -79.8(17) . . . . ?
O1 S3' C23' F2' 157(2) . . . . ?
O1 S3' C23' F3' 39.8(15) . . . . ?
O2 S3 C23 F1 173.2(7) . . . . ?
O2 S3 C23 F2 -67.7(9) . . . . ?
O2 S3 C23 F3 52.4(7) . . . . ?
O3 S3 C23 F1 -67.8(7) . . . . ?
O3 S3 C23 F2 51.3(9) . . . . ?
O3 S3 C23 F3 171.3(7) . . . . ?
O2' S3' C23' F1' -179.7(17) . . . . ?
O2' S3' C23' F2' 57(2) . . . . ?
O2' S3' C23' F3' -60.2(17) . . . . ?
O3' S3' C23' F1' 61.2(19) . . . . ?
O3' S3' C23' F2' -62(2) . . . . ?
O3' S3' C23' F3' -179.2(15) . . . . ?

_shelx_SHELXL_version_number     2019/2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cu_230621b_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2303640'
loop_
_audit_author_name
_audit_author_address
'Xin-Ran Liu'
;Fudan university
China
;
_audit_update_record             
;
2023-10-25 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H28 B20 N2 S2'
_chemical_formula_weight         480.68

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   31.1627(9)
_cell_length_b                   12.4318(3)
_cell_length_c                   14.5172(4)
_cell_angle_alpha                90
_cell_angle_beta                 107.595(2)
_cell_angle_gamma                90
_cell_volume                     5361.0(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    8039
_cell_measurement_theta_min      5.29
_cell_measurement_theta_max      65.02

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.191
_exptl_crystal_F_000             1968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    1.823
_shelx_estimated_absorpt_T_min   0.659
_shelx_estimated_absorpt_T_max   0.735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.576
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26231
_diffrn_reflns_av_unetI/netI     0.0454
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         4.712
_diffrn_reflns_theta_max         65.153
_diffrn_reflns_theta_full        65.153
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             4556
_reflns_number_gt                3543
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1121P)²+5.6680P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4556
_refine_ls_number_parameters     343
_refine_ls_number_restraints     14
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0633
_refine_ls_wR_factor_ref         0.1932
_refine_ls_wR_factor_gt          0.1794
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
S1 S 0.39423(3) 0.30431(6) 0.31039(7) 0.0623(3) Uani 1 1 d . . . . .
S2 S 0.5414(5) 0.1922(7) 0.5394(7) 0.0808(17) Uani 0.74(4) 1 d . U P . .
S2' S 0.5270(10) 0.1737(16) 0.510(3) 0.078(5) Uani 0.26(4) 1 d . U P . .
N003 N 0.43129(7) 0.49968(18) 0.35380(18) 0.0460(6) Uani 1 1 d . . . . .
H003 H 0.425344 0.565330 0.364087 0.055 Uiso 1 1 calc R U . . .
N004 N 0.56170(8) 0.26284(18) 0.38538(18) 0.0486(6) Uani 1 1 d . . . . .
H004 H 0.575625 0.251008 0.343471 0.058 Uiso 1 1 calc R U . . .
C005 C 0.47775(8) 0.4788(2) 0.36744(19) 0.0412(6) Uani 1 1 d . . . . .
C006 C 0.54190(9) 0.3677(2) 0.3840(2) 0.0430(6) Uani 1 1 d . . . . .
C007 C 0.49644(10) 0.3771(2) 0.3740(2) 0.0477(7) Uani 1 1 d . . . . .
H007 H 0.478816 0.316179 0.371651 0.057 Uiso 1 1 calc R U . . .
C008 C 0.39526(9) 0.4350(2) 0.3278(2) 0.0430(6) Uani 1 1 d . . . . .
C009 C 0.56880(10) 0.4559(2) 0.3884(2) 0.0485(7) Uani 1 1 d . . . . .
H009 H 0.599146 0.447567 0.394056 0.058 Uiso 1 1 calc R U . . .
C00A C 0.35154(8) 0.4967(2) 0.3123(2) 0.0416(6) Uani 1 1 d . . . . .
C00B C 0.55028(10) 0.5569(2) 0.3843(2) 0.0527(7) Uani 1 1 d . . . . .
H00B H 0.568266 0.617385 0.388004 0.063 Uiso 1 1 calc R U . . .
C00C C 0.50494(9) 0.5687(2) 0.3746(2) 0.0495(7) Uani 1 1 d . . . . .
H00C H 0.492677 0.637148 0.372901 0.059 Uiso 1 1 calc R U . . .
C00D C 0.58411(8) 0.0824(2) 0.4262(2) 0.0417(6) Uani 1 1 d . . . . .
C00E C 0.56058(10) 0.1829(2) 0.4447(2) 0.0483(7) Uani 1 1 d . . . . .
C00F C 0.58664(10) -0.0182(2) 0.4997(2) 0.0495(7) Uani 1 1 d D . . . .
H00F H 0.5732(13) -0.006(3) 0.555(2) 0.095(13) Uiso 1 1 d D . . . .
C00G C 0.30515(10) 0.4275(3) 0.2884(2) 0.0537(8) Uani 1 1 d D . . . .
H00G H 0.3103(11) 0.3498(19) 0.291(2) 0.060(9) Uiso 1 1 d D . . . .
B00H B 0.63477(11) 0.0544(3) 0.5114(3) 0.0502(8) Uani 1 1 d . . . . .
H00H H 0.651528 0.106822 0.572791 0.060 Uiso 1 1 calc R U . . .
B00I B 0.63178(11) 0.0872(3) 0.3904(3) 0.0537(8) Uani 1 1 d . . . . .
H00I H 0.646939 0.161269 0.372768 0.064 Uiso 1 1 calc R U . . .
B00J B 0.34196(12) 0.6151(3) 0.2509(3) 0.0628(10) Uani 1 1 d . . . . .
H00J H 0.367039 0.656753 0.224338 0.075 Uiso 1 1 calc R U . . .
B00K B 0.34719(12) 0.6095(3) 0.3754(3) 0.0639(11) Uani 1 1 d . . . . .
H00K H 0.375542 0.648513 0.429261 0.077 Uiso 1 1 calc R U . . .
B00L B 0.31525(12) 0.4959(3) 0.1950(3) 0.0591(9) Uani 1 1 d . . . . .
H00L H 0.322654 0.459493 0.132455 0.071 Uiso 1 1 calc R U . . .
B00M B 0.58014(14) 0.0373(3) 0.3132(3) 0.0590(9) Uani 1 1 d . . . . .
H00M H 0.561986 0.079138 0.245981 0.071 Uiso 1 1 calc R U . . .
B00N B 0.63507(13) -0.0877(3) 0.5210(3) 0.0598(9) Uani 1 1 d . . . . .
H00N H 0.652497 -0.128453 0.589302 0.072 Uiso 1 1 calc R U . . .
B00O B 0.26127(13) 0.4904(3) 0.2105(3) 0.0683(11) Uani 1 1 d . . . . .
H00O H 0.233173 0.450072 0.157055 0.082 Uiso 1 1 calc R U . . .
B00P B 0.63136(17) -0.0340(4) 0.3271(3) 0.0757(13) Uani 1 1 d . . . . .
H00P H 0.646693 -0.040063 0.268264 0.091 Uiso 1 1 calc R U . . .
B00Q B 0.66447(14) -0.0227(4) 0.4497(3) 0.0679(11) Uani 1 1 d . . . . .
H00Q H 0.701473 -0.021093 0.471018 0.081 Uiso 1 1 calc R U . . .
B00R B 0.32482(13) 0.4843(4) 0.3997(3) 0.0643(10) Uani 1 1 d . . . . .
H00R H 0.338472 0.440479 0.468173 0.077 Uiso 1 1 calc R U . . .
B00S B 0.55066(13) -0.0280(3) 0.3843(3) 0.0613(10) Uani 1 1 d . . . . .
H00S H 0.513679 -0.028410 0.364053 0.074 Uiso 1 1 calc R U . . .
B00T B 0.28347(14) 0.6136(4) 0.1867(4) 0.0770(13) Uani 1 1 d . . . . .
H00T H 0.269804 0.655739 0.117311 0.092 Uiso 1 1 calc R U . . .
B00U B 0.58374(16) -0.1376(3) 0.4438(3) 0.0709(11) Uani 1 1 d . . . . .
H00U H 0.567920 -0.210301 0.462036 0.085 Uiso 1 1 calc R U . . .
B00V B 0.26676(14) 0.4826(4) 0.3339(4) 0.0786(13) Uani 1 1 d . . . . .
H00V H 0.242384 0.437636 0.360099 0.094 Uiso 1 1 calc R U . . .
B00W B 0.63318(18) -0.1409(3) 0.4081(3) 0.0798(14) Uani 1 1 d . . . . .
H00W H 0.649928 -0.217265 0.401885 0.096 Uiso 1 1 calc R U . . .
B00X B 0.30314(14) 0.6846(3) 0.2968(4) 0.0821(15) Uani 1 1 d . . . . .
H00X H 0.302346 0.772944 0.299424 0.098 Uiso 1 1 calc R U . . .
B00Y B 0.58143(18) -0.1045(3) 0.3242(3) 0.0808(14) Uani 1 1 d . . . . .
H00Y H 0.564308 -0.156894 0.263081 0.097 Uiso 1 1 calc R U . . .
B00Z B 0.29286(15) 0.6029(5) 0.3895(4) 0.0872(15) Uani 1 1 d . . . . .
H00Z H 0.285442 0.637781 0.452683 0.105 Uiso 1 1 calc R U . . .
B010 B 0.25351(13) 0.6066(4) 0.2717(4) 0.0810(14) Uani 1 1 d . . . . .
H010 H 0.220287 0.644546 0.258108 0.097 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
S1 C008 1.643(3) . ?
S2 C00E 1.660(6) . ?
S2' C00E 1.612(16) . ?
N003 C008 1.339(3) . ?
N003 C005 1.425(3) . ?
N003 H003 0.8600 . ?
N004 C00E 1.323(4) . ?
N004 C006 1.440(3) . ?
N004 H004 0.8600 . ?
C005 C007 1.383(4) . ?
C005 C00C 1.387(4) . ?
C006 C009 1.369(4) . ?
C006 C007 1.384(4) . ?
C007 H007 0.9300 . ?
C008 C00A 1.519(4) . ?
C009 C00B 1.376(4) . ?
C009 H009 0.9300 . ?
C00A C00G 1.627(4) . ?
C00A B00J 1.700(4) . ?
C00A B00K 1.703(4) . ?
C00A B00R 1.722(5) . ?
C00A B00L 1.736(4) . ?
C00B C00C 1.385(4) . ?
C00B H00B 0.9300 . ?
C00C H00C 0.9300 . ?
C00D C00E 1.514(4) . ?
C00D C00F 1.630(4) . ?
C00D B00M 1.702(4) . ?
C00D B00I 1.717(4) . ?
C00D B00S 1.719(4) . ?
C00D B00H 1.721(4) . ?
C00F B00U 1.680(5) . ?
C00F B00N 1.684(4) . ?
C00F B00H 1.714(4) . ?
C00F B00S 1.715(5) . ?
C00F H00F 1.03(3) . ?
C00G B00V 1.678(5) . ?
C00G B00O 1.681(5) . ?
C00G B00R 1.699(5) . ?
C00G B00L 1.708(5) . ?
C00G H00G 0.98(2) . ?
B00H B00Q 1.754(5) . ?
B00H B00N 1.771(5) . ?
B00H B00I 1.778(5) . ?
B00H H00H 1.1000 . ?
B00I B00P 1.763(6) . ?
B00I B00Q 1.765(5) . ?
B00I B00M 1.772(5) . ?
B00I H00I 1.1000 . ?
B00J B00K 1.766(6) . ?
B00J B00L 1.771(5) . ?
B00J B00X 1.772(7) . ?
B00J B00T 1.779(5) . ?
B00J H00J 1.1000 . ?
B00K B00X 1.763(5) . ?
B00K B00Z 1.768(6) . ?
B00K B00R 1.784(6) . ?
B00K H00K 1.1000 . ?
B00L B00T 1.750(6) . ?
B00L B00O 1.764(6) . ?
B00L H00L 1.1000 . ?
B00M B00Y 1.769(6) . ?
B00M B00S 1.772(6) . ?
B00M B00P 1.783(5) . ?
B00M H00M 1.1000 . ?
B00N B00W 1.752(6) . ?
B00N B00U 1.765(6) . ?
B00N B00Q 1.771(6) . ?
B00N H00N 1.1000 . ?
B00O B00V 1.749(7) . ?
B00O B010 1.750(7) . ?
B00O B00T 1.757(6) . ?
B00O H00O 1.1000 . ?
B00P B00W 1.764(7) . ?
B00P B00Q 1.773(6) . ?
B00P B00Y 1.776(8) . ?
B00P H00P 1.1000 . ?
B00Q B00W 1.766(7) . ?
B00Q H00Q 1.1000 . ?
B00R B00Z 1.761(6) . ?
B00R B00V 1.773(6) . ?
B00R H00R 1.1000 . ?
B00S B00Y 1.758(6) . ?
B00S B00U 1.768(5) . ?
B00S H00S 1.1000 . ?
B00T B010 1.760(8) . ?
B00T B00X 1.766(7) . ?
B00T H00T 1.1000 . ?
B00U B00Y 1.764(7) . ?
B00U B00W 1.768(7) . ?
B00U H00U 1.1000 . ?
B00V B010 1.771(7) . ?
B00V B00Z 1.776(7) . ?
B00V H00V 1.1000 . ?
B00W B00Y 1.761(7) . ?
B00W H00W 1.1000 . ?
B00X B010 1.767(6) . ?
B00X B00Z 1.790(8) . ?
B00X H00X 1.1000 . ?
B00Y H00Y 1.1000 . ?
B00Z B010 1.779(7) . ?
B00Z H00Z 1.1000 . ?
B010 H010 1.1000 . ?

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
C008 N003 C005 131.3(2) . . ?
C008 N003 H003 114.3 . . ?
C005 N003 H003 114.3 . . ?
C00E N004 C006 126.4(2) . . ?
C00E N004 H004 116.8 . . ?
C006 N004 H004 116.8 . . ?
C007 C005 C00C 119.8(2) . . ?
C007 C005 N003 124.4(2) . . ?
C00C C005 N003 115.8(2) . . ?
C009 C006 C007 122.0(2) . . ?
C009 C006 N004 118.1(2) . . ?
C007 C006 N004 119.9(2) . . ?
C005 C007 C006 118.7(3) . . ?
C005 C007 H007 120.6 . . ?
C006 C007 H007 120.6 . . ?
N003 C008 C00A 112.1(2) . . ?
N003 C008 S1 127.8(2) . . ?
C00A C008 S1 120.07(19) . . ?
C006 C009 C00B 119.1(3) . . ?
C006 C009 H009 120.5 . . ?
C00B C009 H009 120.5 . . ?
C008 C00A C00G 117.7(2) . . ?
C008 C00A B00J 121.5(2) . . ?
C00G C00A B00J 110.0(2) . . ?
C008 C00A B00K 123.3(2) . . ?
C00G C00A B00K 109.9(2) . . ?
B00J C00A B00K 62.5(2) . . ?
C008 C00A B00R 117.2(2) . . ?
C00G C00A B00R 60.9(2) . . ?
B00J C00A B00R 114.6(3) . . ?
B00K C00A B00R 62.8(2) . . ?
C008 C00A B00L 115.6(2) . . ?
C00G C00A B00L 60.95(19) . . ?
B00J C00A B00L 62.1(2) . . ?
B00K C00A B00L 113.4(2) . . ?
B00R C00A B00L 113.9(2) . . ?
C009 C00B C00C 120.2(3) . . ?
C009 C00B H00B 119.9 . . ?
C00C C00B H00B 119.9 . . ?
C00B C00C C005 120.2(3) . . ?
C00B C00C H00C 119.9 . . ?
C005 C00C H00C 119.9 . . ?
C00E C00D C00F 116.6(2) . . ?
C00E C00D B00M 123.0(2) . . ?
C00F C00D B00M 110.7(2) . . ?
C00E C00D B00I 122.3(2) . . ?
C00F C00D B00I 110.5(2) . . ?
B00M C00D B00I 62.4(2) . . ?
C00E C00D B00S 116.6(2) . . ?
C00F C00D B00S 61.56(19) . . ?
B00M C00D B00S 62.4(2) . . ?
B00I C00D B00S 114.1(2) . . ?
C00E C00D B00H 115.3(2) . . ?
C00F C00D B00H 61.46(18) . . ?
B00M C00D B00H 114.2(2) . . ?
B00I C00D B00H 62.29(19) . . ?
B00S C00D B00H 114.8(2) . . ?
N004 C00E C00D 113.3(2) . . ?
N004 C00E S2' 125.8(6) . . ?
C00D C00E S2' 118.7(6) . . ?
N004 C00E S2 125.0(3) . . ?
C00D C00E S2 121.3(3) . . ?
S2' C00E S2 19.9(11) . . ?
C00D C00F B00U 112.1(3) . . ?
C00D C00F B00N 112.1(2) . . ?
B00U C00F B00N 63.3(2) . . ?
C00D C00F B00H 61.89(18) . . ?
B00U C00F B00H 115.5(3) . . ?
B00N C00F B00H 62.8(2) . . ?
C00D C00F B00S 61.78(19) . . ?
B00U C00F B00S 62.8(2) . . ?
B00N C00F B00S 115.3(3) . . ?
B00H C00F B00S 115.4(3) . . ?
C00D C00F H00F 117(2) . . ?
B00U C00F H00F 122(2) . . ?
B00N C00F H00F 119(2) . . ?
B00H C00F H00F 113(2) . . ?
B00S C00F H00F 118(2) . . ?
C00A C00G B00V 113.2(3) . . ?
C00A C00G B00O 112.8(2) . . ?
B00V C00G B00O 62.8(3) . . ?
C00A C00G B00R 62.35(19) . . ?
B00V C00G B00R 63.3(2) . . ?
B00O C00G B00R 115.7(3) . . ?
C00A C00G B00L 62.68(18) . . ?
B00V C00G B00L 115.7(3) . . ?
B00O C00G B00L 62.8(2) . . ?
B00R C00G B00L 116.6(3) . . ?
C00A C00G H00G 112.9(19) . . ?
B00V C00G H00G 121.2(19) . . ?
B00O C00G H00G 125.0(19) . . ?
B00R C00G H00G 111.6(19) . . ?
B00L C00G H00G 116.9(19) . . ?
C00F B00H C00D 56.64(17) . . ?
C00F B00H B00Q 104.0(3) . . ?
C00D B00H B00Q 104.7(2) . . ?
C00F B00H B00N 57.76(19) . . ?
C00D B00H B00N 103.9(2) . . ?
B00Q B00H B00N 60.3(2) . . ?
C00F B00H B00I 103.9(2) . . ?
C00D B00H B00I 58.72(18) . . ?
B00Q B00H B00I 59.9(2) . . ?
B00N B00H B00I 107.7(3) . . ?
C00F B00H H00H 125.4 . . ?
C00D B00H H00H 124.7 . . ?
B00Q B00H H00H 122.9 . . ?
B00N B00H H00H 122.5 . . ?
B00I B00H H00H 122.3 . . ?
C00D B00I B00P 104.9(3) . . ?
C00D B00I B00Q 104.5(3) . . ?
B00P B00I B00Q 60.3(2) . . ?
C00D B00I B00M 58.39(19) . . ?
B00P B00I B00M 60.6(2) . . ?
B00Q B00I B00M 108.5(3) . . ?
C00D B00I B00H 58.98(18) . . ?
B00P B00I B00H 108.0(3) . . ?
B00Q B00I B00H 59.4(2) . . ?
B00M B00I B00H 108.1(3) . . ?
C00D B00I H00I 124.9 . . ?
B00P B00I H00I 122.0 . . ?
B00Q B00I H00I 122.4 . . ?
B00M B00I H00I 121.2 . . ?
B00H B00I H00I 121.6 . . ?
C00A B00J B00K 58.8(2) . . ?
C00A B00J B00L 59.96(19) . . ?
B00K B00J B00L 108.7(3) . . ?
C00A B00J B00X 104.9(3) . . ?
B00K B00J B00X 59.8(3) . . ?
B00L B00J B00X 107.5(3) . . ?
C00A B00J B00T 104.8(2) . . ?
B00K B00J B00T 107.4(3) . . ?
B00L B00J B00T 59.1(2) . . ?
B00X B00J B00T 59.6(3) . . ?
C00A B00J H00J 124.1 . . ?
B00K B00J H00J 121.4 . . ?
B00L B00J H00J 121.2 . . ?
B00X B00J H00J 122.7 . . ?
B00T B00J H00J 123.0 . . ?
C00A B00K B00X 105.1(3) . . ?
C00A B00K B00J 58.6(2) . . ?
B00X B00K B00J 60.3(3) . . ?
C00A B00K B00Z 105.0(3) . . ?
B00X B00K B00Z 60.9(3) . . ?
B00J B00K B00Z 109.0(3) . . ?
C00A B00K B00R 59.14(19) . . ?
B00X B00K B00R 108.4(3) . . ?
B00J B00K B00R 108.4(3) . . ?
B00Z B00K B00R 59.4(3) . . ?
C00A B00K H00K 124.6 . . ?
B00X B00K H00K 121.8 . . ?
B00J B00K H00K 121.1 . . ?
B00Z B00K H00K 122.0 . . ?
B00R B00K H00K 121.5 . . ?
C00G B00L C00A 56.38(17) . . ?
C00G B00L B00T 103.6(3) . . ?
C00A B00L B00T 104.5(3) . . ?
C00G B00L B00O 57.9(2) . . ?
C00A B00L B00O 103.8(3) . . ?
B00T B00L B00O 60.0(2) . . ?
C00G B00L B00J 103.1(3) . . ?
C00A B00L B00J 57.97(18) . . ?
B00T B00L B00J 60.7(2) . . ?
B00O B00L B00J 107.9(3) . . ?
C00G B00L H00L 125.8 . . ?
C00A B00L H00L 125.1 . . ?
B00T B00L H00L 122.8 . . ?
B00O B00L H00L 122.4 . . ?
B00J B00L H00L 122.4 . . ?
C00D B00M B00Y 104.4(3) . . ?
C00D B00M B00S 59.3(2) . . ?
B00Y B00M B00S 59.5(3) . . ?
C00D B00M B00I 59.17(18) . . ?
B00Y B00M B00I 107.5(3) . . ?
B00S B00M B00I 108.9(3) . . ?
C00D B00M B00P 104.6(3) . . ?
B00Y B00M B00P 60.0(3) . . ?
B00S B00M B00P 108.1(3) . . ?
B00I B00M B00P 59.4(2) . . ?
C00D B00M H00M 124.6 . . ?
B00Y B00M H00M 122.9 . . ?
B00S B00M H00M 121.0 . . ?
B00I B00M H00M 121.4 . . ?
B00P B00M H00M 122.6 . . ?
C00F B00N B00W 104.3(3) . . ?
C00F B00N B00U 58.2(2) . . ?
B00W B00N B00U 60.4(3) . . ?
C00F B00N B00Q 104.6(3) . . ?
B00W B00N B00Q 60.2(3) . . ?
B00U B00N B00Q 108.6(3) . . ?
C00F B00N B00H 59.43(18) . . ?
B00W B00N B00H 107.8(3) . . ?
B00U B00N B00H 108.6(2) . . ?
B00Q B00N B00H 59.4(2) . . ?
C00F B00N H00N 124.9 . . ?
B00W B00N H00N 122.5 . . ?
B00U B00N H00N 121.1 . . ?
B00Q B00N H00N 122.4 . . ?
B00H B00N H00N 121.3 . . ?
C00G B00O B00V 58.5(2) . . ?
C00G B00O B010 104.6(3) . . ?
B00V B00O B010 60.8(3) . . ?
C00G B00O B00T 104.4(3) . . ?
B00V B00O B00T 109.1(3) . . ?
B010 B00O B00T 60.3(3) . . ?
C00G B00O B00L 59.4(2) . . ?
B00V B00O B00L 109.3(3) . . ?
B010 B00O B00L 108.4(3) . . ?
B00T B00O B00L 59.6(2) . . ?
C00G B00O H00O 125.1 . . ?
B00V B00O H00O 120.5 . . ?
B010 B00O H00O 122.1 . . ?
B00T B00O H00O 122.4 . . ?
B00L B00O H00O 120.9 . . ?
B00I B00P B00W 107.6(3) . . ?
B00I B00P B00Q 59.9(2) . . ?
B00W B00P B00Q 59.9(3) . . ?
B00I B00P B00Y 107.6(3) . . ?
B00W B00P B00Y 59.6(3) . . ?
B00Q B00P B00Y 107.6(3) . . ?
B00I B00P B00M 60.0(2) . . ?
B00W B00P B00M 107.3(3) . . ?
B00Q B00P B00M 107.7(3) . . ?
B00Y B00P B00M 59.6(2) . . ?
B00I B00P H00P 121.8 . . ?
B00W B00P H00P 122.1 . . ?
B00Q B00P H00P 121.8 . . ?
B00Y B00P H00P 122.1 . . ?
B00M B00P H00P 122.1 . . ?
B00H B00Q B00I 60.7(2) . . ?
B00H B00Q B00W 107.9(3) . . ?
B00I B00Q B00W 107.4(3) . . ?
B00H B00Q B00N 60.3(2) . . ?
B00I B00Q B00N 108.3(3) . . ?
B00W B00Q B00N 59.4(3) . . ?
B00H B00Q B00P 108.6(3) . . ?
B00I B00Q B00P 59.8(2) . . ?
B00W B00Q B00P 59.8(3) . . ?
B00N B00Q B00P 107.7(3) . . ?
B00H B00Q H00Q 121.1 . . ?
B00I B00Q H00Q 121.6 . . ?
B00W B00Q H00Q 122.3 . . ?
B00N B00Q H00Q 121.8 . . ?
B00P B00Q H00Q 121.7 . . ?
C00G B00R C00A 56.78(18) . . ?
C00G B00R B00Z 103.6(3) . . ?
C00A B00R B00Z 104.5(3) . . ?
C00G B00R B00V 57.8(2) . . ?
C00A B00R B00V 104.2(3) . . ?
B00Z B00R B00V 60.3(3) . . ?
C00G B00R B00K 103.0(3) . . ?
C00A B00R B00K 58.1(2) . . ?
B00Z B00R B00K 59.8(3) . . ?
B00V B00R B00K 107.4(3) . . ?
C00G B00R H00R 125.7 . . ?
C00A B00R H00R 124.7 . . ?
B00Z B00R H00R 123.0 . . ?
B00V B00R H00R 122.3 . . ?
B00K B00R H00R 122.9 . . ?
C00F B00S C00D 56.67(17) . . ?
C00F B00S B00Y 103.2(3) . . ?
C00D B00S B00Y 104.1(3) . . ?
C00F B00S B00U 57.6(2) . . ?
C00D B00S B00U 103.9(2) . . ?
B00Y B00S B00U 60.0(3) . . ?
C00F B00S B00M 103.6(2) . . ?
C00D B00S B00M 58.36(19) . . ?
B00Y B00S B00M 60.2(3) . . ?
B00U B00S B00M 108.0(3) . . ?
C00F B00S H00S 125.7 . . ?
C00D B00S H00S 125.0 . . ?
B00Y B00S H00S 123.3 . . ?
B00U B00S H00S 122.4 . . ?
B00M B00S H00S 122.2 . . ?
B00L B00T B00O 60.4(2) . . ?
B00L B00T B010 108.6(3) . . ?
B00O B00T B010 59.7(3) . . ?
B00L B00T B00X 108.7(3) . . ?
B00O B00T B00X 107.8(4) . . ?
B010 B00T B00X 60.2(3) . . ?
B00L B00T B00J 60.2(2) . . ?
B00O B00T B00J 107.9(3) . . ?
B010 B00T B00J 108.0(3) . . ?
B00X B00T B00J 60.0(2) . . ?
B00L B00T H00T 121.1 . . ?
B00O B00T H00T 121.9 . . ?
B010 B00T H00T 121.7 . . ?
B00X B00T H00T 121.6 . . ?
B00J B00T H00T 121.8 . . ?
C00F B00U B00Y 104.5(3) . . ?
C00F B00U B00N 58.5(2) . . ?
B00Y B00U B00N 107.6(3) . . ?
C00F B00U B00W 103.8(3) . . ?
B00Y B00U B00W 59.8(3) . . ?
B00N B00U B00W 59.5(3) . . ?
C00F B00U B00S 59.6(2) . . ?
B00Y B00U B00S 59.7(2) . . ?
B00N B00U B00S 108.8(3) . . ?
B00W B00U B00S 107.8(3) . . ?
C00F B00U H00U 124.9 . . ?
B00Y B00U H00U 122.7 . . ?
B00N B00U H00U 121.5 . . ?
B00W B00U H00U 123.0 . . ?
B00S B00U H00U 120.9 . . ?
C00G B00V B00O 58.7(2) . . ?
C00G B00V B010 103.8(3) . . ?
B00O B00V B010 59.6(3) . . ?
C00G B00V B00R 58.9(2) . . ?
B00O B00V B00R 108.6(3) . . ?
B010 B00V B00R 107.9(3) . . ?
C00G B00V B00Z 103.9(3) . . ?
B00O B00V B00Z 108.0(4) . . ?
B010 B00V B00Z 60.2(3) . . ?
B00R B00V B00Z 59.5(2) . . ?
C00G B00V H00V 125.3 . . ?
B00O B00V H00V 121.2 . . ?
B010 B00V H00V 122.7 . . ?
B00R B00V H00V 121.2 . . ?
B00Z B00V H00V 122.7 . . ?
B00N B00W B00Y 108.3(3) . . ?
B00N B00W B00P 108.9(3) . . ?
B00Y B00W B00P 60.5(3) . . ?
B00N B00W B00Q 60.4(2) . . ?
B00Y B00W B00Q 108.6(3) . . ?
B00P B00W B00Q 60.3(3) . . ?
B00N B00W B00U 60.2(2) . . ?
B00Y B00W B00U 60.0(3) . . ?
B00P B00W B00U 108.8(3) . . ?
B00Q B00W B00U 108.7(3) . . ?
B00N B00W H00W 121.3 . . ?
B00Y B00W H00W 121.5 . . ?
B00P B00W H00W 121.1 . . ?
B00Q B00W H00W 121.3 . . ?
B00U B00W H00W 121.4 . . ?
B00K B00X B00T 108.1(3) . . ?
B00K B00X B010 107.8(3) . . ?
B00T B00X B010 59.8(3) . . ?
B00K B00X B00J 59.9(2) . . ?
B00T B00X B00J 60.4(3) . . ?
B010 B00X B00J 108.0(3) . . ?
B00K B00X B00Z 59.7(3) . . ?
B00T B00X B00Z 107.8(3) . . ?
B010 B00X B00Z 60.0(3) . . ?
B00J B00X B00Z 107.7(3) . . ?
B00K B00X H00X 121.9 . . ?
B00T B00X H00X 121.6 . . ?
B010 B00X H00X 121.8 . . ?
B00J B00X H00X 121.6 . . ?
B00Z B00X H00X 122.0 . . ?
B00S B00Y B00W 108.6(3) . . ?
B00S B00Y B00U 60.3(2) . . ?
B00W B00Y B00U 60.2(3) . . ?
B00S B00Y B00M 60.3(2) . . ?
B00W B00Y B00M 108.0(3) . . ?
B00U B00Y B00M 108.3(3) . . ?
B00S B00Y B00P 109.0(3) . . ?
B00W B00Y B00P 59.9(3) . . ?
B00U B00Y B00P 108.5(3) . . ?
B00M B00Y B00P 60.4(2) . . ?
B00S B00Y H00Y 121.1 . . ?
B00W B00Y H00Y 121.7 . . ?
B00U B00Y H00Y 121.5 . . ?
B00M B00Y H00Y 121.6 . . ?
B00P B00Y H00Y 121.3 . . ?
B00R B00Z B00K 60.7(2) . . ?
B00R B00Z B00V 60.2(3) . . ?
B00K B00Z B00V 108.0(3) . . ?
B00R B00Z B010 108.1(3) . . ?
B00K B00Z B010 107.0(4) . . ?
B00V B00Z B010 59.8(3) . . ?
B00R B00Z B00X 108.2(3) . . ?
B00K B00Z B00X 59.4(3) . . ?
B00V B00Z B00X 107.3(3) . . ?
B010 B00Z B00X 59.4(3) . . ?
B00R B00Z H00Z 121.1 . . ?
B00K B00Z H00Z 121.9 . . ?
B00V B00Z H00Z 121.9 . . ?
B010 B00Z H00Z 122.3 . . ?
B00X B00Z H00Z 122.2 . . ?
B00O B010 B00T 60.1(3) . . ?
B00O B010 B00X 108.1(3) . . ?
B00T B010 B00X 60.1(3) . . ?
B00O B010 B00V 59.6(3) . . ?
B00T B010 B00V 108.0(3) . . ?
B00X B010 B00V 108.5(3) . . ?
B00O B010 B00Z 107.8(3) . . ?
B00T B010 B00Z 108.6(3) . . ?
B00X B010 B00Z 60.6(3) . . ?
B00V B010 B00Z 60.0(3) . . ?
B00O B010 H010 122.0 . . ?
B00T B010 H010 121.5 . . ?
B00X B010 H010 121.3 . . ?
B00V B010 H010 121.8 . . ?
B00Z B010 H010 121.4 . . ?

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
C008 N003 C005 C007 -13.4(5) . . . . ?
C008 N003 C005 C00C 166.8(3) . . . . ?
C00E N004 C006 C009 127.1(3) . . . . ?
C00E N004 C006 C007 -55.9(4) . . . . ?
C00C C005 C007 C006 -2.4(4) . . . . ?
N003 C005 C007 C006 177.9(3) . . . . ?
C009 C006 C007 C005 0.5(4) . . . . ?
N004 C006 C007 C005 -176.4(3) . . . . ?
C005 N003 C008 C00A -173.9(3) . . . . ?
C005 N003 C008 S1 5.0(5) . . . . ?
C007 C006 C009 C00B 1.1(4) . . . . ?
N004 C006 C009 C00B 178.1(3) . . . . ?
N003 C008 C00A C00G -175.4(2) . . . . ?
S1 C008 C00A C00G 5.7(3) . . . . ?
N003 C008 C00A B00J 43.9(4) . . . . ?
S1 C008 C00A B00J -135.0(3) . . . . ?
N003 C008 C00A B00K -31.9(4) . . . . ?
S1 C008 C00A B00K 149.1(3) . . . . ?
N003 C008 C00A B00R -105.8(3) . . . . ?
S1 C008 C00A B00R 75.3(3) . . . . ?
N003 C008 C00A B00L 115.5(3) . . . . ?
S1 C008 C00A B00L -63.4(3) . . . . ?
C006 C009 C00B C00C -0.8(5) . . . . ?
C009 C00B C00C C005 -1.0(5) . . . . ?
C007 C005 C00C C00B 2.6(4) . . . . ?
N003 C005 C00C C00B -177.6(3) . . . . ?
C006 N004 C00E C00D 179.2(2) . . . . ?
C006 N004 C00E S2' 16(2) . . . . ?
C006 N004 C00E S2 -8.1(8) . . . . ?
C00F C00D C00E N004 176.9(2) . . . . ?
B00M C00D C00E N004 -40.3(4) . . . . ?
B00I C00D C00E N004 35.7(4) . . . . ?
B00S C00D C00E N004 -113.3(3) . . . . ?
B00H C00D C00E N004 107.7(3) . . . . ?
C00F C00D C00E S2' -19.0(19) . . . . ?
B00M C00D C00E S2' 123.7(19) . . . . ?
B00I C00D C00E S2' -160.2(19) . . . . ?
B00S C00D C00E S2' 50.8(19) . . . . ?
B00H C00D C00E S2' -88.2(19) . . . . ?
C00F C00D C00E S2 3.9(8) . . . . ?
B00M C00D C00E S2 146.6(7) . . . . ?
B00I C00D C00E S2 -137.4(7) . . . . ?
B00S C00D C00E S2 73.7(8) . . . . ?
B00H C00D C00E S2 -65.4(8) . . . . ?
C00E C00D C00F B00U 146.2(3) . . . . ?
B00M C00D C00F B00U -1.0(3) . . . . ?
B00I C00D C00F B00U -68.2(3) . . . . ?
B00S C00D C00F B00U 38.8(3) . . . . ?
B00H C00D C00F B00U -108.0(3) . . . . ?
C00E C00D C00F B00N -144.8(3) . . . . ?
B00M C00D C00F B00N 68.0(3) . . . . ?
B00I C00D C00F B00N 0.8(3) . . . . ?
B00S C00D C00F B00N 107.8(3) . . . . ?
B00H C00D C00F B00N -39.1(2) . . . . ?
C00E C00D C00F B00H -105.8(3) . . . . ?
B00M C00D C00F B00H 107.1(2) . . . . ?
B00I C00D C00F B00H 39.8(2) . . . . ?
B00S C00D C00F B00H 146.9(3) . . . . ?
C00E C00D C00F B00S 107.3(3) . . . . ?
B00M C00D C00F B00S -39.8(3) . . . . ?
B00I C00D C00F B00S -107.1(3) . . . . ?
B00H C00D C00F B00S -146.9(3) . . . . ?
C008 C00A C00G B00V 146.5(3) . . . . ?
B00J C00A C00G B00V -68.6(4) . . . . ?
B00K C00A C00G B00V -1.6(4) . . . . ?
B00R C00A C00G B00V 39.1(3) . . . . ?
B00L C00A C00G B00V -108.0(3) . . . . ?
C008 C00A C00G B00O -144.6(3) . . . . ?
B00J C00A C00G B00O 0.3(4) . . . . ?
B00K C00A C00G B00O 67.3(3) . . . . ?
B00R C00A C00G B00O 108.1(3) . . . . ?
B00L C00A C00G B00O -39.1(3) . . . . ?
C008 C00A C00G B00R 107.4(3) . . . . ?
B00J C00A C00G B00R -107.7(3) . . . . ?
B00K C00A C00G B00R -40.7(3) . . . . ?
B00L C00A C00G B00R -147.2(3) . . . . ?
C008 C00A C00G B00L -105.5(3) . . . . ?
B00J C00A C00G B00L 39.4(3) . . . . ?
B00K C00A C00G B00L 106.5(3) . . . . ?
B00R C00A C00G B00L 147.2(3) . . . . ?
B00U C00F B00H C00D 102.6(3) . . . . ?
B00N C00F B00H C00D 139.0(3) . . . . ?
B00S C00F B00H C00D 32.2(2) . . . . ?
C00D C00F B00H B00Q -98.6(3) . . . . ?
B00U C00F B00H B00Q 4.0(4) . . . . ?
B00N C00F B00H B00Q 40.4(3) . . . . ?
B00S C00F B00H B00Q -66.4(3) . . . . ?
C00D C00F B00H B00N -139.0(3) . . . . ?
B00U C00F B00H B00N -36.4(3) . . . . ?
B00S C00F B00H B00N -106.8(3) . . . . ?
C00D C00F B00H B00I -36.6(2) . . . . ?
B00U C00F B00H B00I 66.0(3) . . . . ?
B00N C00F B00H B00I 102.4(3) . . . . ?
B00S C00F B00H B00I -4.4(3) . . . . ?
C00E C00D B00H C00F 107.8(3) . . . . ?
B00M C00D B00H C00F -101.3(3) . . . . ?
B00I C00D B00H C00F -137.3(2) . . . . ?
B00S C00D B00H C00F -31.9(3) . . . . ?
C00E C00D B00H B00Q -154.9(3) . . . . ?
C00F C00D B00H B00Q 97.3(3) . . . . ?
B00M C00D B00H B00Q -4.0(3) . . . . ?
B00I C00D B00H B00Q -40.0(3) . . . . ?
B00S C00D B00H B00Q 65.4(3) . . . . ?
C00E C00D B00H B00N 142.7(3) . . . . ?
C00F C00D B00H B00N 34.9(2) . . . . ?
B00M C00D B00H B00N -66.4(3) . . . . ?
B00I C00D B00H B00N -102.5(3) . . . . ?
B00S C00D B00H B00N 2.9(3) . . . . ?
C00E C00D B00H B00I -114.8(3) . . . . ?
C00F C00D B00H B00I 137.3(2) . . . . ?
B00M C00D B00H B00I 36.0(3) . . . . ?
B00S C00D B00H B00I 105.4(3) . . . . ?
C00E C00D B00I B00P -153.9(3) . . . . ?
C00F C00D B00I B00P 62.9(3) . . . . ?
B00M C00D B00I B00P -40.4(2) . . . . ?
B00S C00D B00I B00P -4.2(3) . . . . ?
B00H C00D B00I B00P 102.3(3) . . . . ?
C00E C00D B00I B00Q 143.5(3) . . . . ?
C00F C00D B00I B00Q 0.2(3) . . . . ?
B00M C00D B00I B00Q -103.0(3) . . . . ?
B00S C00D B00I B00Q -66.8(3) . . . . ?
B00H C00D B00I B00Q 39.7(2) . . . . ?
C00E C00D B00I B00M -113.4(3) . . . . ?
C00F C00D B00I B00M 103.3(3) . . . . ?
B00S C00D B00I B00M 36.2(3) . . . . ?
B00H C00D B00I B00M 142.8(3) . . . . ?
C00E C00D B00I B00H 103.8(3) . . . . ?
C00F C00D B00I B00H -39.5(2) . . . . ?
B00M C00D B00I B00H -142.8(3) . . . . ?
B00S C00D B00I B00H -106.5(3) . . . . ?
C00F B00H B00I C00D 35.66(19) . . . . ?
B00Q B00H B00I C00D 134.0(3) . . . . ?
B00N B00H B00I C00D 95.8(2) . . . . ?
C00F B00H B00I B00P -61.3(3) . . . . ?
C00D B00H B00I B00P -96.9(3) . . . . ?
B00Q B00H B00I B00P 37.1(3) . . . . ?
B00N B00H B00I B00P -1.1(3) . . . . ?
C00F B00H B00I B00Q -98.4(3) . . . . ?
C00D B00H B00I B00Q -134.0(3) . . . . ?
B00N B00H B00I B00Q -38.3(3) . . . . ?
C00F B00H B00I B00M 2.8(3) . . . . ?
C00D B00H B00I B00M -32.8(2) . . . . ?
B00Q B00H B00I B00M 101.2(3) . . . . ?
B00N B00H B00I B00M 62.9(3) . . . . ?
C008 C00A B00J B00K -114.1(3) . . . . ?
C00G C00A B00J B00K 102.6(3) . . . . ?
B00R C00A B00J B00K 36.4(3) . . . . ?
B00L C00A B00J B00K 141.5(3) . . . . ?
C008 C00A B00J B00L 104.4(3) . . . . ?
C00G C00A B00J B00L -38.9(3) . . . . ?
B00K C00A B00J B00L -141.5(3) . . . . ?
B00R C00A B00J B00L -105.2(3) . . . . ?
C008 C00A B00J B00X -153.8(3) . . . . ?
C00G C00A B00J B00X 62.9(3) . . . . ?
B00K C00A B00J B00X -39.7(3) . . . . ?
B00R C00A B00J B00X -3.3(3) . . . . ?
B00L C00A B00J B00X 101.8(3) . . . . ?
C008 C00A B00J B00T 144.3(3) . . . . ?
C00G C00A B00J B00T 1.0(4) . . . . ?
B00K C00A B00J B00T -101.6(3) . . . . ?
B00R C00A B00J B00T -65.2(4) . . . . ?
B00L C00A B00J B00T 39.9(3) . . . . ?
C008 C00A B00K B00X 151.3(3) . . . . ?
C00G C00A B00K B00X -62.8(4) . . . . ?
B00J C00A B00K B00X 40.0(3) . . . . ?
B00R C00A B00K B00X -102.7(3) . . . . ?
B00L C00A B00K B00X 3.2(4) . . . . ?
C008 C00A B00K B00J 111.3(3) . . . . ?
C00G C00A B00K B00J -102.8(3) . . . . ?
B00R C00A B00K B00J -142.7(3) . . . . ?
B00L C00A B00K B00J -36.8(3) . . . . ?
C008 C00A B00K B00Z -145.4(3) . . . . ?
C00G C00A B00K B00Z 0.5(4) . . . . ?
B00J C00A B00K B00Z 103.4(3) . . . . ?
B00R C00A B00K B00Z -39.3(3) . . . . ?
B00L C00A B00K B00Z 66.6(4) . . . . ?
C008 C00A B00K B00R -106.1(3) . . . . ?
C00G C00A B00K B00R 39.8(2) . . . . ?
B00J C00A B00K B00R 142.7(3) . . . . ?
B00L C00A B00K B00R 105.9(3) . . . . ?
B00L B00J B00K C00A 34.6(2) . . . . ?
B00X B00J B00K C00A 134.4(3) . . . . ?
B00T B00J B00K C00A 97.1(3) . . . . ?
C00A B00J B00K B00X -134.4(3) . . . . ?
B00L B00J B00K B00X -99.8(3) . . . . ?
B00T B00J B00K B00X -37.3(3) . . . . ?
C00A B00J B00K B00Z -96.4(3) . . . . ?
B00L B00J B00K B00Z -61.8(4) . . . . ?
B00X B00J B00K B00Z 38.0(3) . . . . ?
B00T B00J B00K B00Z 0.7(4) . . . . ?
C00A B00J B00K B00R -33.3(2) . . . . ?
B00L B00J B00K B00R 1.4(3) . . . . ?
B00X B00J B00K B00R 101.1(3) . . . . ?
B00T B00J B00K B00R 63.8(3) . . . . ?
B00V C00G B00L C00A 104.1(3) . . . . ?
B00O C00G B00L C00A 139.2(3) . . . . ?
B00R C00G B00L C00A 32.5(2) . . . . ?
C00A C00G B00L B00T -98.6(3) . . . . ?
B00V C00G B00L B00T 5.5(4) . . . . ?
B00O C00G B00L B00T 40.6(3) . . . . ?
B00R C00G B00L B00T -66.1(3) . . . . ?
C00A C00G B00L B00O -139.2(3) . . . . ?
B00V C00G B00L B00O -35.1(3) . . . . ?
B00R C00G B00L B00O -106.7(3) . . . . ?
C00A C00G B00L B00J -36.0(2) . . . . ?
B00V C00G B00L B00J 68.1(3) . . . . ?
B00O C00G B00L B00J 103.1(3) . . . . ?
B00R C00G B00L B00J -3.5(4) . . . . ?
C008 C00A B00L C00G 108.8(3) . . . . ?
B00J C00A B00L C00G -137.5(3) . . . . ?
B00K C00A B00L C00G -100.5(3) . . . . ?
B00R C00A B00L C00G -31.2(3) . . . . ?
C008 C00A B00L B00T -154.3(3) . . . . ?
C00G C00A B00L B00T 96.9(3) . . . . ?
B00J C00A B00L B00T -40.6(3) . . . . ?
B00K C00A B00L B00T -3.7(4) . . . . ?
B00R C00A B00L B00T 65.6(3) . . . . ?
C008 C00A B00L B00O 143.6(3) . . . . ?
C00G C00A B00L B00O 34.8(2) . . . . ?
B00J C00A B00L B00O -102.7(3) . . . . ?
B00K C00A B00L B00O -65.7(3) . . . . ?
B00R C00A B00L B00O 3.6(3) . . . . ?
C008 C00A B00L B00J -113.7(3) . . . . ?
C00G C00A B00L B00J 137.5(3) . . . . ?
B00K C00A B00L B00J 37.0(3) . . . . ?
B00R C00A B00L B00J 106.3(3) . . . . ?
C00A B00J B00L C00G 35.3(2) . . . . ?
B00K B00J B00L C00G 1.1(3) . . . . ?
B00X B00J B00L C00G -62.1(3) . . . . ?
B00T B00J B00L C00G -98.4(3) . . . . ?
B00K B00J B00L C00A -34.2(2) . . . . ?
B00X B00J B00L C00A -97.4(3) . . . . ?
B00T B00J B00L C00A -133.7(3) . . . . ?
C00A B00J B00L B00T 133.7(3) . . . . ?
B00K B00J B00L B00T 99.5(3) . . . . ?
B00X B00J B00L B00T 36.3(3) . . . . ?
C00A B00J B00L B00O 95.4(3) . . . . ?
B00K B00J B00L B00O 61.2(3) . . . . ?
B00X B00J B00L B00O -2.0(4) . . . . ?
B00T B00J B00L B00O -38.3(3) . . . . ?
C00E C00D B00M B00Y -145.6(3) . . . . ?
C00F C00D B00M B00Y -1.0(3) . . . . ?
B00I C00D B00M B00Y 102.0(3) . . . . ?
B00S C00D B00M B00Y -40.5(3) . . . . ?
B00H C00D B00M B00Y 66.0(3) . . . . ?
C00E C00D B00M B00S -105.2(3) . . . . ?
C00F C00D B00M B00S 39.5(2) . . . . ?
B00I C00D B00M B00S 142.5(3) . . . . ?
B00H C00D B00M B00S 106.5(3) . . . . ?
C00E C00D B00M B00I 112.3(3) . . . . ?
C00F C00D B00M B00I -103.0(2) . . . . ?
B00S C00D B00M B00I -142.5(3) . . . . ?
B00H C00D B00M B00I -36.0(2) . . . . ?
C00E C00D B00M B00P 152.2(3) . . . . ?
C00F C00D B00M B00P -63.2(3) . . . . ?
B00I C00D B00M B00P 39.8(3) . . . . ?
B00S C00D B00M B00P -102.6(3) . . . . ?
B00H C00D B00M B00P 3.9(4) . . . . ?
B00P B00I B00M C00D 134.0(3) . . . . ?
B00Q B00I B00M C00D 96.0(3) . . . . ?
B00H B00I B00M C00D 33.1(2) . . . . ?
C00D B00I B00M B00Y -96.6(3) . . . . ?
B00P B00I B00M B00Y 37.4(3) . . . . ?
B00Q B00I B00M B00Y -0.6(4) . . . . ?
B00H B00I B00M B00Y -63.5(3) . . . . ?
C00D B00I B00M B00S -33.6(2) . . . . ?
B00P B00I B00M B00S 100.4(3) . . . . ?
B00Q B00I B00M B00S 62.4(3) . . . . ?
B00H B00I B00M B00S -0.5(3) . . . . ?
C00D B00I B00M B00P -134.0(3) . . . . ?
B00Q B00I B00M B00P -38.0(3) . . . . ?
B00H B00I B00M B00P -100.9(3) . . . . ?
C00D C00F B00N B00W -63.8(3) . . . . ?
B00U C00F B00N B00W 40.7(3) . . . . ?
B00H C00F B00N B00W -102.4(3) . . . . ?
B00S C00F B00N B00W 4.4(4) . . . . ?
C00D C00F B00N B00U -104.5(3) . . . . ?
B00H C00F B00N B00U -143.2(3) . . . . ?
B00S C00F B00N B00U -36.4(3) . . . . ?
C00D C00F B00N B00Q -1.4(3) . . . . ?
B00U C00F B00N B00Q 103.1(3) . . . . ?
B00H C00F B00N B00Q -40.1(3) . . . . ?
B00S C00F B00N B00Q 66.7(3) . . . . ?
C00D C00F B00N B00H 38.7(2) . . . . ?
B00U C00F B00N B00H 143.2(3) . . . . ?
B00S C00F B00N B00H 106.8(3) . . . . ?
C00D B00H B00N C00F -34.4(2) . . . . ?
B00Q B00H B00N C00F -133.6(3) . . . . ?
B00I B00H B00N C00F -95.5(3) . . . . ?
C00F B00H B00N B00W 96.4(3) . . . . ?
C00D B00H B00N B00W 62.0(3) . . . . ?
B00Q B00H B00N B00W -37.2(3) . . . . ?
B00I B00H B00N B00W 0.9(4) . . . . ?
C00F B00H B00N B00U 32.5(3) . . . . ?
C00D B00H B00N B00U -1.8(3) . . . . ?
B00Q B00H B00N B00U -101.1(3) . . . . ?
B00I B00H B00N B00U -63.0(3) . . . . ?
C00F B00H B00N B00Q 133.6(3) . . . . ?
C00D B00H B00N B00Q 99.2(3) . . . . ?
B00I B00H B00N B00Q 38.1(2) . . . . ?
C00A C00G B00O B00V -105.3(3) . . . . ?
B00R C00G B00O B00V -36.2(3) . . . . ?
B00L C00G B00O B00V -144.4(3) . . . . ?
C00A C00G B00O B010 -64.0(4) . . . . ?
B00V C00G B00O B010 41.4(3) . . . . ?
B00R C00G B00O B010 5.1(4) . . . . ?
B00L C00G B00O B010 -103.0(3) . . . . ?
C00A C00G B00O B00T -1.5(4) . . . . ?
B00V C00G B00O B00T 103.8(4) . . . . ?
B00R C00G B00O B00T 67.6(4) . . . . ?
B00L C00G B00O B00T -40.6(3) . . . . ?
C00A C00G B00O B00L 39.1(3) . . . . ?
B00V C00G B00O B00L 144.4(3) . . . . ?
B00R C00G B00O B00L 108.2(3) . . . . ?
C00A B00L B00O C00G -34.1(2) . . . . ?
B00T B00L B00O C00G -133.1(3) . . . . ?
B00J B00L B00O C00G -94.5(3) . . . . ?
C00G B00L B00O B00V 31.7(3) . . . . ?
C00A B00L B00O B00V -2.4(4) . . . . ?
B00T B00L B00O B00V -101.3(4) . . . . ?
B00J B00L B00O B00V -62.7(4) . . . . ?
C00G B00L B00O B010 96.4(3) . . . . ?
C00A B00L B00O B010 62.3(4) . . . . ?
B00T B00L B00O B010 -36.7(3) . . . . ?
B00J B00L B00O B010 1.9(4) . . . . ?
C00G B00L B00O B00T 133.1(3) . . . . ?
C00A B00L B00O B00T 99.0(3) . . . . ?
B00J B00L B00O B00T 38.6(3) . . . . ?
C00D B00I B00P B00W -60.8(4) . . . . ?
B00Q B00I B00P B00W 37.6(3) . . . . ?
B00M B00I B00P B00W -100.1(4) . . . . ?
B00H B00I B00P B00W 0.9(4) . . . . ?
C00D B00I B00P B00Q -98.4(3) . . . . ?
B00M B00I B00P B00Q -137.8(3) . . . . ?
B00H B00I B00P B00Q -36.7(3) . . . . ?
C00D B00I B00P B00Y 2.1(4) . . . . ?
B00Q B00I B00P B00Y 100.5(3) . . . . ?
B00M B00I B00P B00Y -37.2(3) . . . . ?
B00H B00I B00P B00Y 63.8(3) . . . . ?
C00D B00I B00P B00M 39.4(2) . . . . ?
B00Q B00I B00P B00M 137.8(3) . . . . ?
B00H B00I B00P B00M 101.1(3) . . . . ?
C00D B00M B00P B00I -39.7(2) . . . . ?
B00Y B00M B00P B00I -138.0(3) . . . . ?
B00S B00M B00P B00I -101.7(3) . . . . ?
C00D B00M B00P B00W 61.0(4) . . . . ?
B00Y B00M B00P B00W -37.3(3) . . . . ?
B00S B00M B00P B00W -0.9(4) . . . . ?
B00I B00M B00P B00W 100.7(3) . . . . ?
C00D B00M B00P B00Q -2.1(4) . . . . ?
B00Y B00M B00P B00Q -100.4(3) . . . . ?
B00S B00M B00P B00Q -64.0(4) . . . . ?
B00I B00M B00P B00Q 37.6(3) . . . . ?
C00D B00M B00P B00Y 98.3(3) . . . . ?
B00S B00M B00P B00Y 36.4(3) . . . . ?
B00I B00M B00P B00Y 138.0(3) . . . . ?
C00F B00H B00Q B00I 98.1(3) . . . . ?
C00D B00H B00Q B00I 39.4(2) . . . . ?
B00N B00H B00Q B00I 137.2(3) . . . . ?
C00F B00H B00Q B00W -2.3(3) . . . . ?
C00D B00H B00Q B00W -60.9(3) . . . . ?
B00N B00H B00Q B00W 36.9(3) . . . . ?
B00I B00H B00Q B00W -100.4(3) . . . . ?
C00F B00H B00Q B00N -39.1(2) . . . . ?
C00D B00H B00Q B00N -97.8(3) . . . . ?
B00I B00H B00Q B00N -137.2(3) . . . . ?
C00F B00H B00Q B00P 61.0(4) . . . . ?
C00D B00H B00Q B00P 2.4(4) . . . . ?
B00N B00H B00Q B00P 100.2(3) . . . . ?
B00I B00H B00Q B00P -37.0(3) . . . . ?
C00D B00I B00Q B00H -39.5(2) . . . . ?
B00P B00I B00Q B00H -138.7(3) . . . . ?
B00M B00I B00Q B00H -100.5(3) . . . . ?
C00D B00I B00Q B00W 61.6(3) . . . . ?
B00P B00I B00Q B00W -37.5(3) . . . . ?
B00M B00I B00Q B00W 0.6(4) . . . . ?
B00H B00I B00Q B00W 101.1(3) . . . . ?
C00D B00I B00Q B00N -1.1(4) . . . . ?
B00P B00I B00Q B00N -100.2(3) . . . . ?
B00M B00I B00Q B00N -62.1(3) . . . . ?
B00H B00I B00Q B00N 38.4(3) . . . . ?
C00D B00I B00Q B00P 99.1(3) . . . . ?
B00M B00I B00Q B00P 38.1(3) . . . . ?
B00H B00I B00Q B00P 138.7(3) . . . . ?
C00F B00N B00Q B00H 40.1(2) . . . . ?
B00W B00N B00Q B00H 138.4(3) . . . . ?
B00U B00N B00Q B00H 101.0(3) . . . . ?
C00F B00N B00Q B00I 1.5(4) . . . . ?
B00W B00N B00Q B00I 99.9(3) . . . . ?
B00U B00N B00Q B00I 62.4(3) . . . . ?
B00H B00N B00Q B00I -38.6(3) . . . . ?
C00F B00N B00Q B00W -98.3(3) . . . . ?
B00U B00N B00Q B00W -37.4(3) . . . . ?
B00H B00N B00Q B00W -138.4(3) . . . . ?
C00F B00N B00Q B00P -61.7(3) . . . . ?
B00W B00N B00Q B00P 36.7(3) . . . . ?
B00U B00N B00Q B00P -0.7(3) . . . . ?
B00H B00N B00Q B00P -101.8(3) . . . . ?
B00I B00P B00Q B00H 37.4(3) . . . . ?
B00W B00P B00Q B00H -100.3(3) . . . . ?
B00Y B00P B00Q B00H -63.1(4) . . . . ?
B00M B00P B00Q B00H -0.2(4) . . . . ?
B00W B00P B00Q B00I -137.8(3) . . . . ?
B00Y B00P B00Q B00I -100.6(3) . . . . ?
B00M B00P B00Q B00I -37.7(3) . . . . ?
B00I B00P B00Q B00W 137.8(3) . . . . ?
B00Y B00P B00Q B00W 37.2(3) . . . . ?
B00M B00P B00Q B00W 100.1(4) . . . . ?
B00I B00P B00Q B00N 101.3(3) . . . . ?
B00W B00P B00Q B00N -36.5(3) . . . . ?
B00Y B00P B00Q B00N 0.7(3) . . . . ?
B00M B00P B00Q B00N 63.6(4) . . . . ?
B00V C00G B00R C00A -139.5(3) . . . . ?
B00O C00G B00R C00A -103.5(3) . . . . ?
B00L C00G B00R C00A -32.6(2) . . . . ?
C00A C00G B00R B00Z 98.6(3) . . . . ?
B00V C00G B00R B00Z -40.9(3) . . . . ?
B00O C00G B00R B00Z -4.9(4) . . . . ?
B00L C00G B00R B00Z 66.0(4) . . . . ?
C00A C00G B00R B00V 139.5(3) . . . . ?
B00O C00G B00R B00V 36.0(3) . . . . ?
B00L C00G B00R B00V 106.9(3) . . . . ?
C00A C00G B00R B00K 36.9(2) . . . . ?
B00V C00G B00R B00K -102.6(3) . . . . ?
B00O C00G B00R B00K -66.6(3) . . . . ?
B00L C00G B00R B00K 4.3(3) . . . . ?
C008 C00A B00R C00G -108.1(3) . . . . ?
B00J C00A B00R C00G 100.1(3) . . . . ?
B00K C00A B00R C00G 136.4(3) . . . . ?
B00L C00A B00R C00G 31.2(3) . . . . ?
C008 C00A B00R B00Z 154.9(3) . . . . ?
C00G C00A B00R B00Z -97.0(3) . . . . ?
B00J C00A B00R B00Z 3.1(4) . . . . ?
B00K C00A B00R B00Z 39.4(3) . . . . ?
B00L C00A B00R B00Z -65.8(3) . . . . ?
C008 C00A B00R B00V -142.6(3) . . . . ?
C00G C00A B00R B00V -34.5(3) . . . . ?
B00J C00A B00R B00V 65.6(4) . . . . ?
B00K C00A B00R B00V 101.9(3) . . . . ?
B00L C00A B00R B00V -3.3(4) . . . . ?
C008 C00A B00R B00K 115.5(3) . . . . ?
C00G C00A B00R B00K -136.4(3) . . . . ?
B00J C00A B00R B00K -36.3(3) . . . . ?
B00L C00A B00R B00K -105.1(3) . . . . ?
C00A B00K B00R C00G -36.3(2) . . . . ?
B00X B00K B00R C00G 60.7(3) . . . . ?
B00J B00K B00R C00G -3.2(3) . . . . ?
B00Z B00K B00R C00G 98.4(3) . . . . ?
B00X B00K B00R C00A 97.0(3) . . . . ?
B00J B00K B00R C00A 33.1(2) . . . . ?
B00Z B00K B00R C00A 134.7(3) . . . . ?
C00A B00K B00R B00Z -134.7(3) . . . . ?
B00X B00K B00R B00Z -37.7(3) . . . . ?
B00J B00K B00R B00Z -101.6(3) . . . . ?
C00A B00K B00R B00V -96.2(3) . . . . ?
B00X B00K B00R B00V 0.8(4) . . . . ?
B00J B00K B00R B00V -63.1(3) . . . . ?
B00Z B00K B00R B00V 38.5(3) . . . . ?
B00U C00F B00S C00D -139.2(3) . . . . ?
B00N C00F B00S C00D -102.6(3) . . . . ?
B00H C00F B00S C00D -32.2(2) . . . . ?
C00D C00F B00S B00Y 98.4(3) . . . . ?
B00U C00F B00S B00Y -40.8(3) . . . . ?
B00N C00F B00S B00Y -4.3(4) . . . . ?
B00H C00F B00S B00Y 66.2(3) . . . . ?
C00D C00F B00S B00U 139.2(3) . . . . ?
B00N C00F B00S B00U 36.6(3) . . . . ?
B00H C00F B00S B00U 107.0(3) . . . . ?
C00D C00F B00S B00M 36.3(2) . . . . ?
B00U C00F B00S B00M -102.9(3) . . . . ?
B00N C00F B00S B00M -66.3(3) . . . . ?
B00H C00F B00S B00M 4.1(3) . . . . ?
C00E C00D B00S C00F -107.3(3) . . . . ?
B00M C00D B00S C00F 137.4(2) . . . . ?
B00I C00D B00S C00F 101.2(3) . . . . ?
B00H C00D B00S C00F 31.9(2) . . . . ?
C00E C00D B00S B00Y 155.9(3) . . . . ?
C00F C00D B00S B00Y -96.7(3) . . . . ?
B00M C00D B00S B00Y 40.7(3) . . . . ?
B00I C00D B00S B00Y 4.4(3) . . . . ?
B00H C00D B00S B00Y -64.8(3) . . . . ?
C00E C00D B00S B00U -142.0(3) . . . . ?
C00F C00D B00S B00U -34.7(3) . . . . ?
B00M C00D B00S B00U 102.8(3) . . . . ?
B00I C00D B00S B00U 66.5(3) . . . . ?
B00H C00D B00S B00U -2.7(4) . . . . ?
C00E C00D B00S B00M 115.2(3) . . . . ?
C00F C00D B00S B00M -137.4(2) . . . . ?
B00I C00D B00S B00M -36.3(2) . . . . ?
B00H C00D B00S B00M -105.5(3) . . . . ?
C00D B00M B00S C00F -35.6(2) . . . . ?
B00Y B00M B00S C00F 97.6(3) . . . . ?
B00I B00M B00S C00F -2.0(3) . . . . ?
B00P B00M B00S C00F 61.0(3) . . . . ?
B00Y B00M B00S C00D 133.2(3) . . . . ?
B00I B00M B00S C00D 33.6(2) . . . . ?
B00P B00M B00S C00D 96.6(3) . . . . ?
C00D B00M B00S B00Y -133.2(3) . . . . ?
B00I B00M B00S B00Y -99.6(3) . . . . ?
B00P B00M B00S B00Y -36.6(3) . . . . ?
C00D B00M B00S B00U -95.5(3) . . . . ?
B00Y B00M B00S B00U 37.6(3) . . . . ?
B00I B00M B00S B00U -62.0(3) . . . . ?
B00P B00M B00S B00U 1.1(4) . . . . ?
C00G B00L B00T B00O -39.5(3) . . . . ?
C00A B00L B00T B00O -97.8(3) . . . . ?
B00J B00L B00T B00O -137.1(3) . . . . ?
C00G B00L B00T B010 -3.0(3) . . . . ?
C00A B00L B00T B010 -61.3(3) . . . . ?
B00O B00L B00T B010 36.5(3) . . . . ?
B00J B00L B00T B010 -100.6(3) . . . . ?
C00G B00L B00T B00X 60.8(4) . . . . ?
C00A B00L B00T B00X 2.6(4) . . . . ?
B00O B00L B00T B00X 100.4(4) . . . . ?
B00J B00L B00T B00X -36.7(3) . . . . ?
C00G B00L B00T B00J 97.6(3) . . . . ?
C00A B00L B00T B00J 39.3(3) . . . . ?
B00O B00L B00T B00J 137.1(3) . . . . ?
C00G B00O B00T B00L 40.5(3) . . . . ?
B00V B00O B00T B00L 101.7(3) . . . . ?
B010 B00O B00T B00L 139.2(3) . . . . ?
C00G B00O B00T B010 -98.8(3) . . . . ?
B00V B00O B00T B010 -37.5(3) . . . . ?
B00L B00O B00T B010 -139.2(3) . . . . ?
C00G B00O B00T B00X -61.3(4) . . . . ?
B00V B00O B00T B00X -0.1(4) . . . . ?
B010 B00O B00T B00X 37.4(3) . . . . ?
B00L B00O B00T B00X -101.8(3) . . . . ?
C00G B00O B00T B00J 2.0(4) . . . . ?
B00V B00O B00T B00J 63.3(4) . . . . ?
B010 B00O B00T B00J 100.8(4) . . . . ?
B00L B00O B00T B00J -38.4(3) . . . . ?
C00A B00J B00T B00L -40.4(3) . . . . ?
B00K B00J B00T B00L -101.8(3) . . . . ?
B00X B00J B00T B00L -139.1(3) . . . . ?
C00A B00J B00T B00O -1.9(4) . . . . ?
B00K B00J B00T B00O -63.3(4) . . . . ?
B00L B00J B00T B00O 38.5(3) . . . . ?
B00X B00J B00T B00O -100.7(4) . . . . ?
C00A B00J B00T B010 61.2(4) . . . . ?
B00K B00J B00T B010 -0.2(4) . . . . ?
B00L B00J B00T B010 101.5(3) . . . . ?
B00X B00J B00T B010 -37.6(3) . . . . ?
C00A B00J B00T B00X 98.8(3) . . . . ?
B00K B00J B00T B00X 37.4(3) . . . . ?
B00L B00J B00T B00X 139.1(3) . . . . ?
C00D C00F B00U B00Y 2.5(4) . . . . ?
B00N C00F B00U B00Y -102.0(3) . . . . ?
B00H C00F B00U B00Y -65.8(4) . . . . ?
B00S C00F B00U B00Y 40.9(3) . . . . ?
C00D C00F B00U B00N 104.5(3) . . . . ?
B00H C00F B00U B00N 36.2(3) . . . . ?
B00S C00F B00U B00N 142.9(3) . . . . ?
C00D C00F B00U B00W 64.4(3) . . . . ?
B00N C00F B00U B00W -40.2(3) . . . . ?
B00H C00F B00U B00W -4.0(4) . . . . ?
B00S C00F B00U B00W 102.8(3) . . . . ?
C00D C00F B00U B00S -38.4(3) . . . . ?
B00N C00F B00U B00S -142.9(3) . . . . ?
B00H C00F B00U B00S -106.7(3) . . . . ?
B00W B00N B00U C00F -133.3(3) . . . . ?
B00Q B00N B00U C00F -96.0(3) . . . . ?
B00H B00N B00U C00F -33.0(3) . . . . ?
C00F B00N B00U B00Y 96.5(3) . . . . ?
B00W B00N B00U B00Y -36.9(3) . . . . ?
B00Q B00N B00U B00Y 0.5(4) . . . . ?
B00H B00N B00U B00Y 63.5(3) . . . . ?
C00F B00N B00U B00W 133.3(3) . . . . ?
B00Q B00N B00U B00W 37.3(3) . . . . ?
B00H B00N B00U B00W 100.3(3) . . . . ?
C00F B00N B00U B00S 33.3(3) . . . . ?
B00W B00N B00U B00S -100.0(4) . . . . ?
B00Q B00N B00U B00S -62.7(4) . . . . ?
B00H B00N B00U B00S 0.3(4) . . . . ?
C00D B00S B00U C00F 34.2(2) . . . . ?
B00Y B00S B00U C00F 132.7(3) . . . . ?
B00M B00S B00U C00F 95.0(3) . . . . ?
C00F B00S B00U B00Y -132.7(3) . . . . ?
C00D B00S B00U B00Y -98.5(3) . . . . ?
B00M B00S B00U B00Y -37.7(3) . . . . ?
C00F B00S B00U B00N -32.8(3) . . . . ?
C00D B00S B00U B00N 1.4(4) . . . . ?
B00Y B00S B00U B00N 99.9(4) . . . . ?
B00M B00S B00U B00N 62.2(4) . . . . ?
C00F B00S B00U B00W -95.8(3) . . . . ?
C00D B00S B00U B00W -61.6(4) . . . . ?
B00Y B00S B00U B00W 36.9(3) . . . . ?
B00M B00S B00U B00W -0.8(4) . . . . ?
C00A C00G B00V B00O 104.7(3) . . . . ?
B00R C00G B00V B00O 143.4(3) . . . . ?
B00L C00G B00V B00O 35.1(3) . . . . ?
C00A C00G B00V B010 64.1(4) . . . . ?
B00O C00G B00V B010 -40.6(3) . . . . ?
B00R C00G B00V B010 102.8(3) . . . . ?
B00L C00G B00V B010 -5.6(4) . . . . ?
C00A C00G B00V B00R -38.7(3) . . . . ?
B00O C00G B00V B00R -143.4(3) . . . . ?
B00L C00G B00V B00R -108.4(3) . . . . ?
C00A C00G B00V B00Z 1.9(4) . . . . ?
B00O C00G B00V B00Z -102.8(4) . . . . ?
B00R C00G B00V B00Z 40.6(3) . . . . ?
B00L C00G B00V B00Z -67.8(4) . . . . ?
B010 B00O B00V C00G -132.9(3) . . . . ?
B00T B00O B00V C00G -95.6(3) . . . . ?
B00L B00O B00V C00G -32.1(3) . . . . ?
C00G B00O B00V B010 132.9(3) . . . . ?
B00T B00O B00V B010 37.3(3) . . . . ?
B00L B00O B00V B010 100.8(3) . . . . ?
C00G B00O B00V B00R 32.6(3) . . . . ?
B010 B00O B00V B00R -100.3(4) . . . . ?
B00T B00O B00V B00R -63.0(4) . . . . ?
B00L B00O B00V B00R 0.5(4) . . . . ?
C00G B00O B00V B00Z 95.6(3) . . . . ?
B010 B00O B00V B00Z -37.3(3) . . . . ?
B00T B00O B00V B00Z 0.0(4) . . . . ?
B00L B00O B00V B00Z 63.6(4) . . . . ?
C00A B00R B00V C00G 34.1(2) . . . . ?
B00Z B00R B00V C00G 132.9(3) . . . . ?
B00K B00R B00V C00G 94.6(3) . . . . ?
C00G B00R B00V B00O -32.5(3) . . . . ?
C00A B00R B00V B00O 1.6(4) . . . . ?
B00Z B00R B00V B00O 100.4(4) . . . . ?
B00K B00R B00V B00O 62.1(4) . . . . ?
C00G B00R B00V B010 -95.6(3) . . . . ?
C00A B00R B00V B010 -61.6(4) . . . . ?
B00Z B00R B00V B010 37.2(4) . . . . ?
B00K B00R B00V B010 -1.0(4) . . . . ?
C00G B00R B00V B00Z -132.9(3) . . . . ?
C00A B00R B00V B00Z -98.8(3) . . . . ?
B00K B00R B00V B00Z -38.3(3) . . . . ?
C00F B00N B00W B00Y -2.6(4) . . . . ?
B00U B00N B00W B00Y 37.1(3) . . . . ?
B00Q B00N B00W B00Y -101.4(3) . . . . ?
B00H B00N B00W B00Y -64.6(4) . . . . ?
C00F B00N B00W B00P 61.7(4) . . . . ?
B00U B00N B00W B00P 101.3(3) . . . . ?
B00Q B00N B00W B00P -37.2(3) . . . . ?
B00H B00N B00W B00P -0.3(4) . . . . ?
C00F B00N B00W B00Q 98.8(3) . . . . ?
B00U B00N B00W B00Q 138.5(3) . . . . ?
B00H B00N B00W B00Q 36.8(3) . . . . ?
C00F B00N B00W B00U -39.7(2) . . . . ?
B00Q B00N B00W B00U -138.5(3) . . . . ?
B00H B00N B00W B00U -101.7(3) . . . . ?
B00I B00P B00W B00N -0.4(4) . . . . ?
B00Q B00P B00W B00N 37.2(3) . . . . ?
B00Y B00P B00W B00N -100.8(3) . . . . ?
B00M B00P B00W B00N -63.6(4) . . . . ?
B00I B00P B00W B00Y 100.5(3) . . . . ?
B00Q B00P B00W B00Y 138.1(3) . . . . ?
B00M B00P B00W B00Y 37.3(3) . . . . ?
B00I B00P B00W B00Q -37.6(3) . . . . ?
B00Y B00P B00W B00Q -138.1(3) . . . . ?
B00M B00P B00W B00Q -100.8(3) . . . . ?
B00I B00P B00W B00U 63.6(4) . . . . ?
B00Q B00P B00W B00U 101.2(3) . . . . ?
B00Y B00P B00W B00U -36.9(3) . . . . ?
B00M B00P B00W B00U 0.4(4) . . . . ?
B00H B00Q B00W B00N -37.3(3) . . . . ?
B00I B00Q B00W B00N -101.3(3) . . . . ?
B00P B00Q B00W B00N -138.8(3) . . . . ?
B00H B00Q B00W B00Y 63.7(4) . . . . ?
B00I B00Q B00W B00Y -0.3(4) . . . . ?
B00N B00Q B00W B00Y 101.0(3) . . . . ?
B00P B00Q B00W B00Y -37.8(3) . . . . ?
B00H B00Q B00W B00P 101.6(3) . . . . ?
B00I B00Q B00W B00P 37.5(3) . . . . ?
B00N B00Q B00W B00P 138.8(3) . . . . ?
B00H B00Q B00W B00U 0.1(4) . . . . ?
B00I B00Q B00W B00U -64.0(4) . . . . ?
B00N B00Q B00W B00U 37.3(3) . . . . ?
B00P B00Q B00W B00U -101.5(3) . . . . ?
C00F B00U B00W B00N 39.7(2) . . . . ?
B00Y B00U B00W B00N 138.6(3) . . . . ?
B00S B00U B00W B00N 101.7(3) . . . . ?
C00F B00U B00W B00Y -98.9(3) . . . . ?
B00N B00U B00W B00Y -138.6(3) . . . . ?
B00S B00U B00W B00Y -36.9(3) . . . . ?
C00F B00U B00W B00P -61.8(4) . . . . ?
B00Y B00U B00W B00P 37.1(3) . . . . ?
B00N B00U B00W B00P -101.5(3) . . . . ?
B00S B00U B00W B00P 0.2(4) . . . . ?
C00F B00U B00W B00Q 2.2(4) . . . . ?
B00Y B00U B00W B00Q 101.1(3) . . . . ?
B00N B00U B00W B00Q -37.5(3) . . . . ?
B00S B00U B00W B00Q 64.3(4) . . . . ?
C00A B00K B00X B00T -1.4(4) . . . . ?
B00J B00K B00X B00T 37.8(3) . . . . ?
B00Z B00K B00X B00T -100.4(4) . . . . ?
B00R B00K B00X B00T -63.4(4) . . . . ?
C00A B00K B00X B010 61.7(4) . . . . ?
B00J B00K B00X B010 100.9(4) . . . . ?
B00Z B00K B00X B010 -37.3(3) . . . . ?
B00R B00K B00X B010 -0.2(4) . . . . ?
C00A B00K B00X B00J -39.2(3) . . . . ?
B00Z B00K B00X B00J -138.2(3) . . . . ?
B00R B00K B00X B00J -101.2(3) . . . . ?
C00A B00K B00X B00Z 99.0(3) . . . . ?
B00J B00K B00X B00Z 138.2(3) . . . . ?
B00R B00K B00X B00Z 37.1(3) . . . . ?
B00L B00T B00X B00K -0.8(5) . . . . ?
B00O B00T B00X B00K 63.2(4) . . . . ?
B010 B00T B00X B00K 100.4(4) . . . . ?
B00J B00T B00X B00K -37.6(3) . . . . ?
B00L B00T B00X B010 -101.2(3) . . . . ?
B00O B00T B00X B010 -37.2(3) . . . . ?
B00J B00T B00X B010 -138.0(3) . . . . ?
B00L B00T B00X B00J 36.8(3) . . . . ?
B00O B00T B00X B00J 100.8(3) . . . . ?
B010 B00T B00X B00J 138.0(3) . . . . ?
B00L B00T B00X B00Z -63.8(4) . . . . ?
B00O B00T B00X B00Z 0.1(4) . . . . ?
B010 B00T B00X B00Z 37.4(3) . . . . ?
B00J B00T B00X B00Z -100.7(3) . . . . ?
C00A B00J B00X B00K 39.2(2) . . . . ?
B00L B00J B00X B00K 101.9(3) . . . . ?
B00T B00J B00X B00K 137.9(3) . . . . ?
C00A B00J B00X B00T -98.7(3) . . . . ?
B00K B00J B00X B00T -137.9(3) . . . . ?
B00L B00J B00X B00T -36.0(3) . . . . ?
C00A B00J B00X B010 -61.3(4) . . . . ?
B00K B00J B00X B010 -100.5(4) . . . . ?
B00L B00J B00X B010 1.4(4) . . . . ?
B00T B00J B00X B010 37.4(3) . . . . ?
C00A B00J B00X B00Z 2.1(4) . . . . ?
B00K B00J B00X B00Z -37.1(3) . . . . ?
B00L B00J B00X B00Z 64.8(4) . . . . ?
B00T B00J B00X B00Z 100.8(3) . . . . ?
C00F B00S B00Y B00W 2.3(4) . . . . ?
C00D B00S B00Y B00W 60.8(4) . . . . ?
B00U B00S B00Y B00W -37.3(3) . . . . ?
B00M B00S B00Y B00W 100.6(4) . . . . ?
C00F B00S B00Y B00U 39.6(3) . . . . ?
C00D B00S B00Y B00U 98.1(3) . . . . ?
B00M B00S B00Y B00U 137.9(3) . . . . ?
C00F B00S B00Y B00M -98.3(3) . . . . ?
C00D B00S B00Y B00M -39.8(2) . . . . ?
B00U B00S B00Y B00M -137.9(3) . . . . ?
C00F B00S B00Y B00P -61.3(4) . . . . ?
C00D B00S B00Y B00P -2.8(4) . . . . ?
B00U B00S B00Y B00P -100.9(3) . . . . ?
B00M B00S B00Y B00P 37.0(3) . . . . ?
B00N B00W B00Y B00S 0.1(5) . . . . ?
B00P B00W B00Y B00S -101.7(3) . . . . ?
B00Q B00W B00Y B00S -64.0(4) . . . . ?
B00U B00W B00Y B00S 37.3(3) . . . . ?
B00N B00W B00Y B00U -37.2(3) . . . . ?
B00P B00W B00Y B00U -139.0(3) . . . . ?
B00Q B00W B00Y B00U -101.3(3) . . . . ?
B00N B00W B00Y B00M 64.0(4) . . . . ?
B00P B00W B00Y B00M -37.8(3) . . . . ?
B00Q B00W B00Y B00M -0.1(5) . . . . ?
B00U B00W B00Y B00M 101.2(3) . . . . ?
B00N B00W B00Y B00P 101.8(3) . . . . ?
B00Q B00W B00Y B00P 37.7(3) . . . . ?
B00U B00W B00Y B00P 139.0(3) . . . . ?
C00F B00U B00Y B00S -40.9(3) . . . . ?
B00N B00U B00Y B00S -101.9(3) . . . . ?
B00W B00U B00Y B00S -138.6(3) . . . . ?
C00F B00U B00Y B00W 97.7(3) . . . . ?
B00N B00U B00Y B00W 36.7(3) . . . . ?
B00S B00U B00Y B00W 138.6(3) . . . . ?
C00F B00U B00Y B00M -3.0(4) . . . . ?
B00N B00U B00Y B00M -64.0(4) . . . . ?
B00W B00U B00Y B00M -100.7(4) . . . . ?
B00S B00U B00Y B00M 37.8(3) . . . . ?
C00F B00U B00Y B00P 61.0(4) . . . . ?
B00N B00U B00Y B00P 0.0(4) . . . . ?
B00W B00U B00Y B00P -36.7(3) . . . . ?
B00S B00U B00Y B00P 101.8(3) . . . . ?
C00D B00M B00Y B00S 40.3(2) . . . . ?
B00I B00M B00Y B00S 102.0(3) . . . . ?
B00P B00M B00Y B00S 139.1(3) . . . . ?
C00D B00M B00Y B00W -61.3(4) . . . . ?
B00S B00M B00Y B00W -101.6(3) . . . . ?
B00I B00M B00Y B00W 0.5(4) . . . . ?
B00P B00M B00Y B00W 37.6(3) . . . . ?
C00D B00M B00Y B00U 2.5(4) . . . . ?
B00S B00M B00Y B00U -37.8(3) . . . . ?
B00I B00M B00Y B00U 64.2(4) . . . . ?
B00P B00M B00Y B00U 101.3(3) . . . . ?
C00D B00M B00Y B00P -98.8(3) . . . . ?
B00S B00M B00Y B00P -139.1(3) . . . . ?
B00I B00M B00Y B00P -37.1(3) . . . . ?
B00I B00P B00Y B00S 0.5(4) . . . . ?
B00W B00P B00Y B00S 100.9(3) . . . . ?
B00Q B00P B00Y B00S 63.6(4) . . . . ?
B00M B00P B00Y B00S -36.9(3) . . . . ?
B00I B00P B00Y B00W -100.5(3) . . . . ?
B00Q B00P B00Y B00W -37.3(3) . . . . ?
B00M B00P B00Y B00W -137.9(3) . . . . ?
B00I B00P B00Y B00U -63.6(4) . . . . ?
B00W B00P B00Y B00U 36.9(3) . . . . ?
B00Q B00P B00Y B00U -0.4(4) . . . . ?
B00M B00P B00Y B00U -101.0(3) . . . . ?
B00I B00P B00Y B00M 37.4(3) . . . . ?
B00W B00P B00Y B00M 137.9(3) . . . . ?
B00Q B00P B00Y B00M 100.6(3) . . . . ?
C00G B00R B00Z B00K -97.2(3) . . . . ?
C00A B00R B00Z B00K -38.5(3) . . . . ?
B00V B00R B00Z B00K -136.9(3) . . . . ?
C00G B00R B00Z B00V 39.6(3) . . . . ?
C00A B00R B00Z B00V 98.3(3) . . . . ?
B00K B00R B00Z B00V 136.9(3) . . . . ?
C00G B00R B00Z B010 2.6(4) . . . . ?
C00A B00R B00Z B010 61.3(4) . . . . ?
B00V B00R B00Z B010 -37.1(3) . . . . ?
B00K B00R B00Z B010 99.8(4) . . . . ?
C00G B00R B00Z B00X -60.2(4) . . . . ?
C00A B00R B00Z B00X -1.5(4) . . . . ?
B00V B00R B00Z B00X -99.9(3) . . . . ?
B00K B00R B00Z B00X 37.0(3) . . . . ?
C00A B00K B00Z B00R 39.2(3) . . . . ?
B00X B00K B00Z B00R 138.4(3) . . . . ?
B00J B00K B00Z B00R 100.7(3) . . . . ?
C00A B00K B00Z B00V 0.6(4) . . . . ?
B00X B00K B00Z B00V 99.8(4) . . . . ?
B00J B00K B00Z B00V 62.1(4) . . . . ?
B00R B00K B00Z B00V -38.6(3) . . . . ?
C00A B00K B00Z B010 -62.4(4) . . . . ?
B00X B00K B00Z B010 36.8(3) . . . . ?
B00J B00K B00Z B010 -0.9(4) . . . . ?
B00R B00K B00Z B010 -101.5(3) . . . . ?
C00A B00K B00Z B00X -99.2(3) . . . . ?
B00J B00K B00Z B00X -37.7(3) . . . . ?
B00R B00K B00Z B00X -138.4(3) . . . . ?
C00G B00V B00Z B00R -40.3(3) . . . . ?
B00O B00V B00Z B00R -101.4(3) . . . . ?
B010 B00V B00Z B00R -138.5(3) . . . . ?
C00G B00V B00Z B00K -1.4(4) . . . . ?
B00O B00V B00Z B00K -62.6(4) . . . . ?
B010 B00V B00Z B00K -99.6(4) . . . . ?
B00R B00V B00Z B00K 38.8(3) . . . . ?
C00G B00V B00Z B010 98.2(3) . . . . ?
B00O B00V B00Z B010 37.0(3) . . . . ?
B00R B00V B00Z B010 138.5(3) . . . . ?
C00G B00V B00Z B00X 61.2(4) . . . . ?
B00O B00V B00Z B00X 0.1(4) . . . . ?
B010 B00V B00Z B00X -37.0(3) . . . . ?
B00R B00V B00Z B00X 101.5(3) . . . . ?
B00K B00X B00Z B00R -37.6(3) . . . . ?
B00T B00X B00Z B00R 63.4(4) . . . . ?
B010 B00X B00Z B00R 100.6(4) . . . . ?
B00J B00X B00Z B00R -0.3(4) . . . . ?
B00T B00X B00Z B00K 101.0(3) . . . . ?
B010 B00X B00Z B00K 138.2(3) . . . . ?
B00J B00X B00Z B00K 37.2(3) . . . . ?
B00K B00X B00Z B00V -101.1(3) . . . . ?
B00T B00X B00Z B00V -0.1(4) . . . . ?
B010 B00X B00Z B00V 37.1(3) . . . . ?
B00J B00X B00Z B00V -63.8(3) . . . . ?
B00K B00X B00Z B010 -138.2(3) . . . . ?
B00T B00X B00Z B010 -37.3(3) . . . . ?
B00J B00X B00Z B010 -101.0(3) . . . . ?
C00G B00O B010 B00T 98.5(3) . . . . ?
B00V B00O B010 B00T 138.7(3) . . . . ?
B00L B00O B010 B00T 36.4(3) . . . . ?
C00G B00O B010 B00X 61.0(4) . . . . ?
B00V B00O B010 B00X 101.3(3) . . . . ?
B00T B00O B010 B00X -37.5(3) . . . . ?
B00L B00O B010 B00X -1.0(4) . . . . ?
C00G B00O B010 B00V -40.2(3) . . . . ?
B00T B00O B010 B00V -138.7(3) . . . . ?
B00L B00O B010 B00V -102.3(3) . . . . ?
C00G B00O B010 B00Z -3.1(4) . . . . ?
B00V B00O B010 B00Z 37.2(3) . . . . ?
B00T B00O B010 B00Z -101.6(4) . . . . ?
B00L B00O B010 B00Z -65.1(4) . . . . ?
B00L B00T B010 B00O -36.8(3) . . . . ?
B00X B00T B010 B00O -138.2(3) . . . . ?
B00J B00T B010 B00O -100.6(3) . . . . ?
B00L B00T B010 B00X 101.3(3) . . . . ?
B00O B00T B010 B00X 138.2(3) . . . . ?
B00J B00T B010 B00X 37.5(3) . . . . ?
B00L B00T B010 B00V -0.1(4) . . . . ?
B00O B00T B010 B00V 36.7(3) . . . . ?
B00X B00T B010 B00V -101.4(3) . . . . ?
B00J B00T B010 B00V -63.9(4) . . . . ?
B00L B00T B010 B00Z 63.5(4) . . . . ?
B00O B00T B010 B00Z 100.3(3) . . . . ?
B00X B00T B010 B00Z -37.8(3) . . . . ?
B00J B00T B010 B00Z -0.3(4) . . . . ?
B00K B00X B010 B00O -63.5(5) . . . . ?
B00T B00X B010 B00O 37.5(3) . . . . ?
B00J B00X B010 B00O -0.2(5) . . . . ?
B00Z B00X B010 B00O -100.7(3) . . . . ?
B00K B00X B010 B00T -101.0(3) . . . . ?
B00J B00X B010 B00T -37.7(3) . . . . ?
B00Z B00X B010 B00T -138.2(3) . . . . ?
B00K B00X B010 B00V -0.4(5) . . . . ?
B00T B00X B010 B00V 100.6(4) . . . . ?
B00J B00X B010 B00V 62.9(5) . . . . ?
B00Z B00X B010 B00V -37.6(3) . . . . ?
B00K B00X B010 B00Z 37.1(3) . . . . ?
B00T B00X B010 B00Z 138.2(3) . . . . ?
B00J B00X B010 B00Z 100.5(3) . . . . ?
C00G B00V B010 B00O 40.1(3) . . . . ?
B00R B00V B010 B00O 101.5(3) . . . . ?
B00Z B00V B010 B00O 138.4(3) . . . . ?
C00G B00V B010 B00T 3.2(4) . . . . ?
B00O B00V B010 B00T -37.0(3) . . . . ?
B00R B00V B010 B00T 64.5(4) . . . . ?
B00Z B00V B010 B00T 101.5(3) . . . . ?
C00G B00V B010 B00X -60.4(4) . . . . ?
B00O B00V B010 B00X -100.6(4) . . . . ?
B00R B00V B010 B00X 0.9(5) . . . . ?
B00Z B00V B010 B00X 37.8(3) . . . . ?
C00G B00V B010 B00Z -98.3(3) . . . . ?
B00O B00V B010 B00Z -138.4(3) . . . . ?
B00R B00V B010 B00Z -36.9(3) . . . . ?
B00R B00Z B010 B00O 0.3(5) . . . . ?
B00K B00Z B010 B00O 64.3(4) . . . . ?
B00V B00Z B010 B00O -37.0(3) . . . . ?
B00X B00Z B010 B00O 101.2(4) . . . . ?
B00R B00Z B010 B00T -63.3(4) . . . . ?
B00K B00Z B010 B00T 0.7(4) . . . . ?
B00V B00Z B010 B00T -100.5(3) . . . . ?
B00X B00Z B010 B00T 37.6(3) . . . . ?
B00R B00Z B010 B00X -100.9(4) . . . . ?
B00K B00Z B010 B00X -36.9(3) . . . . ?
B00V B00Z B010 B00X -138.1(3) . . . . ?
B00R B00Z B010 B00V 37.2(3) . . . . ?
B00K B00Z B010 B00V 101.3(3) . . . . ?
B00X B00Z B010 B00V 138.1(3) . . . . ?

_refine_diff_density_max         0.522
_refine_diff_density_min         -0.338
_refine_diff_density_rms         0.054

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_platon_sq
_database_code_depnum_ccdc_archive 'CCDC 2303643'
loop_
_audit_author_name
_audit_author_address
'Xin-Ran Liu'
;Fudan university
China
;
_audit_update_record             
;
2023-10-25 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;
_audit_creation_date             2023-10-11
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H39 B30 N3 S3, C H2 Cl2'
_chemical_formula_sum            'C17 H43 B30 Cl4 N3 S3'
_chemical_formula_weight         851.82
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0150 0.0070 '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 0.0070 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0250 0.0140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2920 0.4250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3290 0.5400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   10.9098(9)
_cell_length_b                   25.502(2)
_cell_length_c                   31.388(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8732.6(12)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9965
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      55.90
_cell_measurement_theta_min      3.25
_shelx_estimated_absorpt_T_max   0.747
_shelx_estimated_absorpt_T_min   0.482
_exptl_absorpt_coefficient_mu    2.586
_exptl_absorpt_correction_T_max  0.7510
_exptl_absorpt_correction_T_min  0.4735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1836 before and 0.1002 after correction.
The Ratio of minimum to maximum transmission is 0.6305.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3456
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1447
_diffrn_reflns_av_unetI/netI     0.1490
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            32746
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        53.499
_diffrn_reflns_theta_max         53.499
_diffrn_reflns_theta_min         3.255
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4023
_reflns_number_total             7801
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.386
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         7801
_refine_ls_number_restraints     212
_refine_ls_R_factor_all          0.2144
_refine_ls_R_factor_gt           0.1440
_refine_ls_restrained_S_all      1.046
_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)+(0.1739P)²+62.8878P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3770
_refine_ls_wR_factor_ref         0.4114
_refine_special_details          
;
 One carborane fragment and one dichloromethane molecule
 were disordered and they were divided into two parts (49:51
 for carborane fragment and 57:43 for dichloromethane). 28
 ISOR, 2 FLAT, 1 SIMU and 34 DFIX instructions were used
 to restrain the structure so that there were 212 restraints
 in the data. H1, H2, H3A, H2A, H10A and H12A were found in
 difference fourier map and others were put in calculated
 positions.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2. Restrained distances
 C2-H2A = C10-H10A = C12-H12A
 1.04 with sigma of 0.05
 N2-H2 = N3-H3A
 0.88 with sigma of 0.02
 C13-Cl2
 1.74 with sigma of 0.03
 B27'-C12
 1.71 with sigma of 0.02
 C11-B23 = C11-B24 = C12-B31 = B31'-C12 = B26'-C12
 1.71 with sigma of 0.02
 B26-B31 = B27-B31 = B32'-B31' = B32'-B27'
 1.76 with sigma of 0.02
 B32-B29 = B32-B31 = B23-B28 = B28-B24 = B24-B29
 1.76 with sigma of 0.02
 B26'-B30' = B31'-B26' = B27-B28 = B28-B29 = B32-B27
 1.76 with sigma of 0.02
 B32'-B28' = B32'-B29' = B23'-B27' = B25'-B30'
 1.76 with sigma of 0.02
 B27'-B28' = B29'-B30' = B30'-B31' = B31'-B27'
 1.76 with sigma of 0.02
3. Restrained planarity
 B27', B28', B29', B30', B31'
 with sigma of 0.02
 B27, B28, B29, B30, B31
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
B27 \\sim B27': within 2A with sigma of 0.02 and sigma for terminal atoms of
0.05
Uanis(B29) \\sim Ueq, Uanis(B30') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(B31') \\sim Ueq, Uanis(B32') \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(Cl2)
\\sim Ueq, Uanis(C13') \\sim Ueq, Uanis(Cl2') \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(C6') \\sim Ueq, Uanis(S3') \\sim Ueq, Uanis(B23') \\sim Ueq, Uanis(B24')
\\sim Ueq, Uanis(B25') \\sim Ueq, Uanis(B26') \\sim Ueq, Uanis(B27') \\sim Ueq,
Uanis(B28') \\sim Ueq, Uanis(B29') \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(C6) \\sim Ueq, Uanis(S3) \\sim Ueq, Uanis(B23) \\sim Ueq, Uanis(B24)
\\sim Ueq, Uanis(B25) \\sim Ueq, Uanis(B26) \\sim Ueq, Uanis(B27) \\sim Ueq,
Uanis(B28) \\sim Ueq, Uanis(B30) \\sim Ueq, Uanis(B31) \\sim Ueq, Uanis(B32)
\\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
5. Others
 Sof(S3')=Sof(C6')=Sof(B23')=Sof(H23')=Sof(B24')=Sof(H24')=Sof(B25')=Sof(H25')=
 Sof(B26')=Sof(H26')=Sof(B27')=Sof(H27')=Sof(B28')=Sof(H28')=Sof(B29')=
 Sof(H29')=Sof(B30')=Sof(H30')=Sof(B31')=Sof(H31')=Sof(B32')=Sof(H32')=1-FVAR(1)
 Sof(S3)=Sof(C6)=Sof(B23)=Sof(H23)=Sof(B24)=Sof(H24)=Sof(B25)=Sof(H25)=
 Sof(B26)=Sof(H26)=Sof(B27)=Sof(H27)=Sof(B28)=Sof(H28)=Sof(B29)=Sof(H29)=
 Sof(B30)=Sof(H30)=Sof(B31)=Sof(H31)=Sof(B32)=Sof(H32)=FVAR(1)
 Sof(C13')=Sof(H13C)=Sof(H13D)=Sof(Cl2')=1-FVAR(2)
 Sof(C13)=Sof(H13A)=Sof(H13B)=Sof(Cl2)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C13'(H13C,H13D)
6.b Aromatic/amide H refined with riding coordinates:
 C18(H18), C14(H14), C16(H16)
6.c Boron cage BH refined with riding coordinates:
 B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9), B10(H10), B11(H11),
 B12(H12), B13(H13), B14(H14A), B15(H15), B16(H16A), B17(H17), B18(H18A),
 B19(H19), B20(H20), B21(H21), B22(H22), B23(H23), B24(H24), B25(H25), B26(H26),
  B27(H27), B28(H28), B29(H29), B30(H30), B31(H31), B32(H32), B23'(H23'),
 B24'(H24'), B25'(H25'), B26'(H26'), B27'(H27'), B28'(H28'), B29'(H29'),
 B30'(H30'), B31'(H31'), B32'(H32')
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
S1 S 0.8321(2) 0.21974(11) 0.79022(7) 0.0508(7) Uani 1 1 d . . . . .
S2 S 0.9746(2) 0.35028(10) 0.72653(10) 0.0621(8) Uani 1 1 d . . . . .
N1 N 0.6132(7) 0.2227(3) 0.7543(2) 0.0324(15) Uani 1 1 d . . . . .
H1 H 0.530(12) 0.209(4) 0.757(4) 0.09(4) Uiso 1 1 d . . . . .
N2 N 0.7835(6) 0.3720(2) 0.67866(19) 0.0317(15) Uani 1 1 d D . . . .
H2 H 0.744(6) 0.3992(19) 0.669(2) 0.03(2) Uiso 1 1 d D . . . .
C18 C 0.6301(7) 0.2226(3) 0.6782(2) 0.0305(17) Uani 1 1 d . . . . .
H18 H 0.597156 0.188158 0.677863 0.037 Uiso 1 1 calc R . . . .
C14 C 0.7050(7) 0.2966(3) 0.7174(2) 0.0307(18) Uani 1 1 d . . . . .
H14 H 0.722032 0.313127 0.743818 0.037 Uiso 1 1 calc R . . . .
C16 C 0.7105(7) 0.2970(3) 0.6403(2) 0.0333(18) Uani 1 1 d . . . . .
H16 H 0.730738 0.313927 0.614228 0.040 Uiso 1 1 calc R . . . .
C1 C 0.6126(7) 0.1825(3) 0.8223(2) 0.0323(18) Uani 1 1 d . . . . .
C2 C 0.6913(9) 0.1616(4) 0.8626(3) 0.044(2) Uani 1 1 d D . . . .
H2A H 0.781(5) 0.170(3) 0.861(2) 0.04(2) Uiso 1 1 d D . . . .
B3 B 0.6033(10) 0.2168(5) 0.8691(3) 0.045(3) Uani 1 1 d . . . . .
H3 H 0.638705 0.257460 0.874402 0.054 Uiso 1 1 calc R . . . .
B4 B 0.4708(9) 0.2027(4) 0.8374(3) 0.034(2) Uani 1 1 d . . . . .
H4 H 0.416878 0.234851 0.821873 0.041 Uiso 1 1 calc R . . . .
B5 B 0.4941(9) 0.1414(4) 0.8114(3) 0.038(2) Uani 1 1 d . . . . .
H5 H 0.456150 0.133550 0.778872 0.046 Uiso 1 1 calc R . . . .
B6 B 0.6386(10) 0.1160(4) 0.8263(3) 0.041(2) Uani 1 1 d . . . . .
H6 H 0.695842 0.091949 0.804116 0.049 Uiso 1 1 calc R . . . .
B7 B 0.6117(11) 0.1665(6) 0.9085(3) 0.062(4) Uani 1 1 d . . . . .
H7 H 0.651497 0.174586 0.940739 0.074 Uiso 1 1 calc R . . . .
B8 B 0.4671(11) 0.1914(5) 0.8926(3) 0.051(3) Uani 1 1 d . . . . .
H8 H 0.409871 0.216250 0.914299 0.061 Uiso 1 1 calc R . . . .
B9 B 0.4024(10) 0.1453(4) 0.8580(3) 0.043(3) Uani 1 1 d . . . . .
H9 H 0.300703 0.139422 0.856655 0.052 Uiso 1 1 calc R . . . .
B10 B 0.5018(11) 0.0919(4) 0.8514(4) 0.055(3) Uani 1 1 d . . . . .
H10 H 0.467719 0.051003 0.846003 0.066 Uiso 1 1 calc R . . . .
B11 B 0.6370(11) 0.1062(5) 0.8825(3) 0.060(3) Uani 1 1 d . . . . .
H11 H 0.695127 0.075021 0.897483 0.072 Uiso 1 1 calc R . . . .
B12 B 0.4866(12) 0.1232(5) 0.9008(4) 0.063(4) Uani 1 1 d . . . . .
H12 H 0.442054 0.102410 0.928103 0.076 Uiso 1 1 calc R . . . .
B13 B 1.0419(12) 0.4540(4) 0.6560(4) 0.065(4) Uani 1 1 d . . . . .
H13 H 1.095368 0.422163 0.639971 0.078 Uiso 1 1 calc R . . . .
B14 B 0.8949(13) 0.4711(4) 0.6392(3) 0.053(3) Uani 1 1 d . . . . .
H14A H 0.849484 0.450505 0.611909 0.064 Uiso 1 1 calc R . . . .
B15 B 0.8126(10) 0.4925(4) 0.6838(3) 0.042(2) Uani 1 1 d . . . . .
H15 H 0.711187 0.486105 0.685886 0.050 Uiso 1 1 calc R . . . .
B16 B 0.9089(12) 0.4885(4) 0.7293(3) 0.050(3) Uani 1 1 d . . . . .
H16A H 0.873676 0.479419 0.761992 0.060 Uiso 1 1 calc R . . . .
B17 B 1.1130(12) 0.5087(5) 0.6774(6) 0.081(5) Uani 1 1 d . . . . .
H17 H 1.215006 0.513300 0.675571 0.097 Uiso 1 1 calc R . . . .
B18 B 1.0171(15) 0.5156(4) 0.6323(5) 0.077(5) Uani 1 1 d . . . . .
H18A H 1.053425 0.525872 0.599984 0.093 Uiso 1 1 calc R . . . .
B19 B 0.8780(12) 0.5387(4) 0.6495(3) 0.049(3) Uani 1 1 d . . . . .
H19 H 0.820687 0.564322 0.628442 0.059 Uiso 1 1 calc R . . . .
B20 B 0.8819(11) 0.5486(4) 0.7050(3) 0.049(3) Uani 1 1 d . . . . .
H20 H 0.827424 0.580183 0.721098 0.058 Uiso 1 1 calc R . . . .
B21 B 1.0313(14) 0.5298(4) 0.7222(5) 0.072(4) Uani 1 1 d . . . . .
H21 H 1.078525 0.548650 0.749870 0.087 Uiso 1 1 calc R . . . .
B22 B 1.0107(12) 0.5615(4) 0.6726(4) 0.058(3) Uani 1 1 d . . . . .
H22 H 1.043659 0.602619 0.667323 0.069 Uiso 1 1 calc R . . . .
C17 C 0.6578(7) 0.2486(3) 0.6403(2) 0.0297(17) Uani 1 1 d . . . . .
C4 C 0.6847(7) 0.2091(3) 0.7865(2) 0.0267(17) Uani 1 1 d . . . . .
C5 C 0.8864(8) 0.3876(3) 0.6968(3) 0.0344(19) Uani 1 1 d . . . . .
C19 C 0.6517(7) 0.2482(3) 0.7161(2) 0.0291(17) Uani 1 1 d . . . . .
C15 C 0.7339(7) 0.3211(3) 0.6790(2) 0.0306(18) Uani 1 1 d . . . . .
C9 C 0.9165(7) 0.4438(3) 0.6878(2) 0.0266(17) Uani 1 1 d . . . . .
C10 C 1.0419(9) 0.4666(3) 0.7095(4) 0.055(3) Uani 1 1 d D . . . .
H10A H 1.105(12) 0.442(5) 0.724(5) 0.16(7) Uiso 1 1 d D . . . .
N3 N 0.6398(7) 0.2193(3) 0.6020(2) 0.0370(17) Uani 1 1 d D . . . .
H3A H 0.684(7) 0.191(2) 0.602(3) 0.05(3) Uiso 1 1 d D . . . .
C11 C 0.5741(8) 0.1875(3) 0.5368(2) 0.037(2) Uani 1 1 d D . . . .
C12 C 0.6504(10) 0.1300(4) 0.5378(3) 0.061(3) Uani 1 1 d D . . . .
H12A H 0.706(10) 0.124(5) 0.565(3) 0.10(4) Uiso 1 1 d D . . . .
S3 S 0.4277(5) 0.2516(2) 0.58501(16) 0.0561(18) Uani 0.493(7) 1 d . U P A 1
C6 C 0.5510(18) 0.2181(7) 0.5758(6) 0.034(4) Uani 0.493(7) 1 d . U P A 1
B23 B 0.492(2) 0.1288(8) 0.5361(6) 0.040(6) Uani 0.493(7) 1 d D U P A 1
H23 H 0.432537 0.114957 0.562882 0.048 Uiso 0.493(7) 1 calc R . P A 1
B24 B 0.4579(16) 0.1817(7) 0.5031(5) 0.025(4) Uani 0.493(7) 1 d D U P A 1
H24 H 0.370722 0.203932 0.508604 0.029 Uiso 0.493(7) 1 calc R . P A 1
B25 B 0.580(3) 0.2150(10) 0.4877(6) 0.041(5) Uani 0.493(7) 1 d . U P A 1
H25 H 0.577610 0.258401 0.482206 0.050 Uiso 0.493(7) 1 calc R . P A 1
B26 B 0.7133(19) 0.1817(7) 0.5113(7) 0.037(5) Uani 0.493(7) 1 d D U P A 1
H26 H 0.799278 0.202058 0.521652 0.044 Uiso 0.493(7) 1 calc R . P A 1
B27 B 0.5798(18) 0.0854(8) 0.5047(6) 0.052(6) Uani 0.493(7) 1 d D U P A 1
H27 H 0.577821 0.042056 0.510428 0.063 Uiso 0.493(7) 1 calc R . P A 1
B28 B 0.454(2) 0.1182(7) 0.4817(5) 0.059(7) Uani 0.493(7) 1 d D U P A 1
H28 H 0.369160 0.096751 0.472129 0.070 Uiso 0.493(7) 1 calc R . P A 1
B29 B 0.5098(19) 0.1717(7) 0.4518(5) 0.042(5) Uani 0.493(7) 1 d D U P A 1
H29 H 0.460766 0.185373 0.422464 0.050 Uiso 0.493(7) 1 calc R . P A 1
B30 B 0.669(3) 0.1715(9) 0.4565(5) 0.057(6) Uani 0.493(7) 1 d . U P A 1
H30 H 0.727466 0.186248 0.429740 0.069 Uiso 0.493(7) 1 calc R . P A 1
B31 B 0.7160(17) 0.1188(8) 0.4890(5) 0.052(6) Uani 0.493(7) 1 d D U P A 1
H31 H 0.804967 0.097581 0.484376 0.062 Uiso 0.493(7) 1 calc R . P A 1
B32 B 0.594(2) 0.1137(8) 0.4533(6) 0.062(7) Uani 0.493(7) 1 d D U P A 1
H32 H 0.603498 0.088778 0.424078 0.075 Uiso 0.493(7) 1 calc R . P A 1
S3' S 0.6086(8) 0.2954(2) 0.54383(16) 0.084(3) Uani 0.507(7) 1 d . U P A 2
C6' C 0.602(2) 0.2358(7) 0.5630(7) 0.044(5) Uani 0.507(7) 1 d . U P A 2
B23' B 0.495(3) 0.1360(8) 0.5558(7) 0.044(6) Uani 0.507(7) 1 d D U P A 2
H23' H 0.469330 0.130599 0.590052 0.053 Uiso 0.507(7) 1 calc R . P A 2
B24' B 0.416(3) 0.1833(10) 0.5234(8) 0.053(6) Uani 0.507(7) 1 d . U P A 2
H24' H 0.343557 0.209638 0.536543 0.063 Uiso 0.507(7) 1 calc R . P A 2
B25' B 0.509(3) 0.2036(10) 0.4892(7) 0.045(6) Uani 0.507(7) 1 d D U P A 2
H25' H 0.494375 0.245181 0.478770 0.054 Uiso 0.507(7) 1 calc R . P A 2
B26' B 0.658(3) 0.1761(8) 0.4965(6) 0.078(9) Uani 0.507(7) 1 d D U P A 2
H26' H 0.744048 0.198788 0.490411 0.094 Uiso 0.507(7) 1 calc R . P A 2
B27' B 0.5398(16) 0.0847(7) 0.5217(5) 0.051(6) Uani 0.507(7) 1 d D U P A 2
H27' H 0.546252 0.043363 0.533540 0.061 Uiso 0.507(7) 1 calc R . P A 2
B28' B 0.3956(19) 0.1153(9) 0.5134(8) 0.081(8) Uani 0.507(7) 1 d D U P A 2
H28' H 0.306775 0.094834 0.519954 0.097 Uiso 0.507(7) 1 calc R . P A 2
B29' B 0.408(2) 0.1587(9) 0.4715(8) 0.087(9) Uani 0.507(7) 1 d D U P A 2
H29' H 0.330419 0.167333 0.449334 0.105 Uiso 0.507(7) 1 calc R . P A 2
B30' B 0.561(2) 0.1550(9) 0.4537(7) 0.072(9) Uani 0.507(7) 1 d D U P A 2
H30' H 0.586195 0.162250 0.419600 0.086 Uiso 0.507(7) 1 calc R . P A 2
B31' B 0.642(2) 0.1095(8) 0.4847(5) 0.086(10) Uani 0.507(7) 1 d D U P A 2
H31' H 0.717881 0.085661 0.470798 0.103 Uiso 0.507(7) 1 calc R . P A 2
B32' B 0.487(2) 0.0985(9) 0.4700(6) 0.069(8) Uani 0.507(7) 1 d D U P A 2
H32' H 0.459768 0.066795 0.447106 0.083 Uiso 0.507(7) 1 calc R . P A 2
Cl1 Cl 0.4902(4) 0.42237(18) 0.65716(15) 0.1222(15) Uani 1 1 d . . . . .
C13 C 0.4238(17) 0.3678(10) 0.6618(9) 0.082(7) Uani 0.570(11) 1 d D U P B 1
H13A H 0.468509 0.348048 0.684015 0.098 Uiso 0.570(11) 1 calc R . P B 1
H13B H 0.436953 0.348779 0.634641 0.098 Uiso 0.570(11) 1 calc R . P B 1
Cl2 Cl 0.2719(5) 0.3626(2) 0.6734(2) 0.086(3) Uani 0.570(11) 1 d D U P B 1
C13' C 0.396(3) 0.3845(12) 0.6263(12) 0.092(10) Uani 0.430(11) 1 d . U P B 2
H13C H 0.319991 0.403901 0.618844 0.111 Uiso 0.430(11) 1 calc R . P B 2
H13D H 0.437478 0.373960 0.599618 0.111 Uiso 0.430(11) 1 calc R . P B 2
Cl2' Cl 0.3619(12) 0.3312(6) 0.6561(4) 0.135(6) Uani 0.430(11) 1 d . U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
S1 C4 1.635(7) . ?
S2 C5 1.645(8) . ?
N1 H1 0.98(13) . ?
N1 C4 1.324(10) . ?
N1 C19 1.428(10) . ?
N2 H2 0.88(2) . ?
N2 C5 1.320(10) . ?
N2 C15 1.405(10) . ?
C18 H18 0.9500 . ?
C18 C17 1.395(10) . ?
C18 C19 1.377(10) . ?
C14 H14 0.9500 . ?
C14 C19 1.363(11) . ?
C14 C15 1.394(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.363(11) . ?
C16 C15 1.385(11) . ?
C1 C2 1.620(11) . ?
C1 B3 1.712(12) . ?
C1 B4 1.699(12) . ?
C1 B5 1.699(13) . ?
C1 B6 1.723(12) . ?
C1 C4 1.530(10) . ?
C2 H2A 1.01(5) . ?
C2 B3 1.715(14) . ?
C2 B6 1.725(14) . ?
C2 B7 1.686(13) . ?
C2 B11 1.655(16) . ?
B3 H3 1.1200 . ?
B3 B4 1.791(14) . ?
B3 B7 1.784(15) . ?
B3 B8 1.781(16) . ?
B4 H4 1.1200 . ?
B4 B5 1.782(13) . ?
B4 B8 1.758(13) . ?
B4 B9 1.766(14) . ?
B5 H5 1.1200 . ?
B5 B6 1.767(14) . ?
B5 B9 1.774(13) . ?
B5 B10 1.781(13) . ?
B6 H6 1.1200 . ?
B6 B10 1.795(15) . ?
B6 B11 1.781(14) . ?
B7 H7 1.1200 . ?
B7 B8 1.773(16) . ?
B7 B11 1.763(19) . ?
B7 B12 1.77(2) . ?
B8 H8 1.1200 . ?
B8 B9 1.751(16) . ?
B8 B12 1.770(17) . ?
B9 H9 1.1200 . ?
B9 B10 1.753(14) . ?
B9 B12 1.722(16) . ?
B10 H10 1.1200 . ?
B10 B11 1.807(19) . ?
B10 B12 1.752(18) . ?
B11 H11 1.1200 . ?
B11 B12 1.792(16) . ?
B12 H12 1.1200 . ?
B13 H13 1.1200 . ?
B13 B14 1.744(19) . ?
B13 B17 1.732(19) . ?
B13 B18 1.759(17) . ?
B13 C9 1.714(13) . ?
B13 C10 1.710(17) . ?
B14 H14A 1.1200 . ?
B14 B15 1.751(16) . ?
B14 B18 1.764(18) . ?
B14 B19 1.763(14) . ?
B14 C9 1.696(11) . ?
B15 H15 1.1200 . ?
B15 B16 1.776(15) . ?
B15 B19 1.748(14) . ?
B15 B20 1.751(15) . ?
B15 C9 1.687(12) . ?
B16 H16A 1.1200 . ?
B16 B20 1.737(14) . ?
B16 B21 1.715(19) . ?
B16 C9 1.732(12) . ?
B16 C10 1.675(16) . ?
B17 H17 1.1200 . ?
B17 B18 1.77(2) . ?
B17 B21 1.75(2) . ?
B17 B22 1.756(17) . ?
B17 C10 1.665(17) . ?
B18 H18A 1.1200 . ?
B18 B19 1.714(19) . ?
B18 B22 1.725(18) . ?
B19 H19 1.1200 . ?
B19 B20 1.763(15) . ?
B19 B22 1.721(17) . ?
B20 H20 1.1200 . ?
B20 B21 1.782(18) . ?
B20 B22 1.766(17) . ?
B21 H21 1.1200 . ?
B21 B22 1.768(18) . ?
B21 C10 1.662(14) . ?
B22 H22 1.1200 . ?
C17 N3 1.428(10) . ?
C5 C9 1.495(10) . ?
C9 C10 1.636(12) . ?
C10 H10A 1.04(5) . ?
N3 H3A 0.88(2) . ?
N3 C6 1.27(2) . ?
N3 C6' 1.36(2) . ?
C11 C12 1.687(13) . ?
C11 C6 1.47(2) . ?
C11 B23 1.743(17) . ?
C11 B24 1.657(14) . ?
C11 B25 1.70(2) . ?
C11 B26 1.72(2) . ?
C11 C6' 1.511(19) . ?
C11 B23' 1.68(3) . ?
C11 B24' 1.77(3) . ?
C11 B25' 1.71(2) . ?
C11 B26' 1.59(3) . ?
C12 H12A 1.06(5) . ?
C12 B23 1.73(3) . ?
C12 B26 1.70(2) . ?
C12 B27 1.72(2) . ?
C12 B31 1.715(15) . ?
C12 B23' 1.80(3) . ?
C12 B26' 1.754(17) . ?
C12 B27' 1.744(15) . ?
C12 B31' 1.749(15) . ?
S3 C6 1.621(19) . ?
B23 H23 1.1200 . ?
B23 B24 1.74(3) . ?
B23 B27 1.76(3) . ?
B23 B28 1.779(17) . ?
B24 H24 1.1200 . ?
B24 B25 1.65(3) . ?
B24 B28 1.756(17) . ?
B24 B29 1.728(17) . ?
B25 H25 1.1200 . ?
B25 B26 1.84(3) . ?
B25 B29 1.75(3) . ?
B25 B30 1.77(3) . ?
B26 H26 1.1200 . ?
B26 B30 1.81(3) . ?
B26 B31 1.751(17) . ?
B27 H27 1.1200 . ?
B27 B28 1.757(18) . ?
B27 B31 1.782(17) . ?
B27 B32 1.775(18) . ?
B28 H28 1.1200 . ?
B28 B29 1.762(18) . ?
B28 B32 1.77(3) . ?
B29 H29 1.1200 . ?
B29 B30 1.74(3) . ?
B29 B32 1.741(17) . ?
B30 H30 1.1200 . ?
B30 B31 1.76(3) . ?
B30 B32 1.69(3) . ?
B31 H31 1.1200 . ?
B31 B32 1.745(18) . ?
B32 H32 1.1200 . ?
S3' C6' 1.64(2) . ?
B23' H23' 1.1200 . ?
B23' B24' 1.79(3) . ?
B23' B27' 1.759(18) . ?
B23' B28' 1.79(3) . ?
B24' H24' 1.1200 . ?
B24' B25' 1.56(4) . ?
B24' B28' 1.78(3) . ?
B24' B29' 1.75(3) . ?
B25' H25' 1.1200 . ?
B25' B26' 1.78(4) . ?
B25' B29' 1.68(4) . ?
B25' B30' 1.762(18) . ?
B26' H26' 1.1200 . ?
B26' B30' 1.790(18) . ?
B26' B31' 1.748(18) . ?
B27' H27' 1.1200 . ?
B27' B28' 1.776(18) . ?
B27' B31' 1.725(18) . ?
B27' B32' 1.760(18) . ?
B28' H28' 1.1200 . ?
B28' B29' 1.73(4) . ?
B28' B32' 1.741(18) . ?
B29' H29' 1.1200 . ?
B29' B30' 1.761(19) . ?
B29' B32' 1.759(18) . ?
B30' H30' 1.1200 . ?
B30' B31' 1.752(19) . ?
B30' B32' 1.73(4) . ?
B31' H31' 1.1200 . ?
B31' B32' 1.774(18) . ?
B32' H32' 1.1200 . ?
Cl1 C13 1.58(2) . ?
Cl1 C13' 1.72(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 Cl2 1.703(19) . ?
C13' H13C 0.9900 . ?
C13' H13D 0.9900 . ?
C13' Cl2' 1.69(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
C4 N1 H1 113(7) . . ?
C4 N1 C19 126.0(7) . . ?
C19 N1 H1 121(7) . . ?
C5 N2 H2 109(5) . . ?
C5 N2 C15 127.1(7) . . ?
C15 N2 H2 123(5) . . ?
C17 C18 H18 120.8 . . ?
C19 C18 H18 120.8 . . ?
C19 C18 C17 118.4(7) . . ?
C19 C14 H14 120.8 . . ?
C19 C14 C15 118.4(7) . . ?
C15 C14 H14 120.8 . . ?
C17 C16 H16 120.7 . . ?
C17 C16 C15 118.7(7) . . ?
C15 C16 H16 120.7 . . ?
C2 C1 B3 61.9(6) . . ?
C2 C1 B4 111.4(6) . . ?
C2 C1 B5 110.9(7) . . ?
C2 C1 B6 62.1(6) . . ?
B3 C1 B6 116.6(7) . . ?
B4 C1 B3 63.4(5) . . ?
B4 C1 B5 63.3(5) . . ?
B4 C1 B6 115.3(7) . . ?
B5 C1 B3 116.2(7) . . ?
B5 C1 B6 62.2(6) . . ?
C4 C1 C2 116.6(7) . . ?
C4 C1 B3 115.7(7) . . ?
C4 C1 B4 122.6(6) . . ?
C4 C1 B5 121.2(6) . . ?
C4 C1 B6 114.0(6) . . ?
C1 C2 H2A 113(5) . . ?
C1 C2 B3 61.7(5) . . ?
C1 C2 B6 61.9(5) . . ?
C1 C2 B7 111.8(7) . . ?
C1 C2 B11 112.7(8) . . ?
B3 C2 H2A 112(5) . . ?
B3 C2 B6 116.4(7) . . ?
B6 C2 H2A 115(5) . . ?
B7 C2 H2A 123(5) . . ?
B7 C2 B3 63.3(6) . . ?
B7 C2 B6 116.2(8) . . ?
B11 C2 H2A 124(5) . . ?
B11 C2 B3 117.1(8) . . ?
B11 C2 B6 63.6(6) . . ?
B11 C2 B7 63.7(7) . . ?
C1 B3 C2 56.4(5) . . ?
C1 B3 H3 125.5 . . ?
C1 B3 B4 58.0(5) . . ?
C1 B3 B7 103.0(8) . . ?
C1 B3 B8 102.7(8) . . ?
C2 B3 H3 125.8 . . ?
C2 B3 B4 102.8(7) . . ?
C2 B3 B7 57.6(6) . . ?
C2 B3 B8 102.6(8) . . ?
B4 B3 H3 123.1 . . ?
B7 B3 H3 122.9 . . ?
B7 B3 B4 106.4(8) . . ?
B8 B3 H3 124.2 . . ?
B8 B3 B4 59.0(6) . . ?
B8 B3 B7 59.6(6) . . ?
C1 B4 B3 58.7(5) . . ?
C1 B4 H4 125.4 . . ?
C1 B4 B5 58.4(5) . . ?
C1 B4 B8 104.3(7) . . ?
C1 B4 B9 103.6(6) . . ?
B3 B4 H4 121.2 . . ?
B5 B4 B3 108.3(7) . . ?
B5 B4 H4 121.3 . . ?
B8 B4 B3 60.2(6) . . ?
B8 B4 H4 122.4 . . ?
B8 B4 B5 108.1(7) . . ?
B8 B4 B9 59.6(6) . . ?
B9 B4 B3 107.7(7) . . ?
B9 B4 H4 123.0 . . ?
B9 B4 B5 60.0(5) . . ?
C1 B5 B4 58.4(5) . . ?
C1 B5 H5 125.0 . . ?
C1 B5 B6 59.6(5) . . ?
C1 B5 B9 103.3(7) . . ?
C1 B5 B10 105.1(8) . . ?
B4 B5 H5 121.3 . . ?
B6 B5 B4 109.1(7) . . ?
B6 B5 H5 120.5 . . ?
B6 B5 B9 107.8(7) . . ?
B6 B5 B10 60.8(6) . . ?
B9 B5 B4 59.6(5) . . ?
B9 B5 H5 123.5 . . ?
B9 B5 B10 59.1(6) . . ?
B10 B5 B4 107.9(7) . . ?
B10 B5 H5 122.3 . . ?
C1 B6 C2 56.0(5) . . ?
C1 B6 B5 58.3(5) . . ?
C1 B6 H6 125.8 . . ?
C1 B6 B10 103.5(7) . . ?
C1 B6 B11 102.2(7) . . ?
C2 B6 B5 103.1(7) . . ?
C2 B6 H6 126.5 . . ?
C2 B6 B10 102.7(7) . . ?
C2 B6 B11 56.3(6) . . ?
B5 B6 H6 122.2 . . ?
B5 B6 B10 60.0(6) . . ?
B5 B6 B11 107.8(7) . . ?
B10 B6 H6 123.2 . . ?
B11 B6 H6 123.0 . . ?
B11 B6 B10 60.7(7) . . ?
C2 B7 B3 59.1(6) . . ?
C2 B7 H7 125.9 . . ?
C2 B7 B8 104.1(7) . . ?
C2 B7 B11 57.3(6) . . ?
C2 B7 B12 103.5(9) . . ?
B3 B7 H7 121.0 . . ?
B8 B7 B3 60.1(6) . . ?
B8 B7 H7 122.2 . . ?
B8 B7 B12 59.9(7) . . ?
B11 B7 B3 108.3(7) . . ?
B11 B7 H7 121.2 . . ?
B11 B7 B8 108.8(9) . . ?
B11 B7 B12 60.9(8) . . ?
B12 B7 B3 108.2(8) . . ?
B12 B7 H7 122.4 . . ?
B3 B8 H8 120.8 . . ?
B4 B8 B3 60.8(6) . . ?
B4 B8 B7 108.4(7) . . ?
B4 B8 H8 121.3 . . ?
B4 B8 B12 107.5(8) . . ?
B7 B8 B3 60.3(6) . . ?
B7 B8 H8 121.9 . . ?
B9 B8 B3 108.8(7) . . ?
B9 B8 B4 60.4(6) . . ?
B9 B8 B7 107.0(8) . . ?
B9 B8 H8 122.2 . . ?
B9 B8 B12 58.5(7) . . ?
B12 B8 B3 108.4(8) . . ?
B12 B8 B7 60.0(7) . . ?
B12 B8 H8 122.3 . . ?
B4 B9 B5 60.5(5) . . ?
B4 B9 H9 121.0 . . ?
B5 B9 H9 121.4 . . ?
B8 B9 B4 60.0(6) . . ?
B8 B9 B5 108.8(7) . . ?
B8 B9 H9 120.8 . . ?
B8 B9 B10 110.2(8) . . ?
B10 B9 B4 109.8(7) . . ?
B10 B9 B5 60.7(5) . . ?
B10 B9 H9 120.3 . . ?
B12 B9 B4 109.3(8) . . ?
B12 B9 B5 108.9(8) . . ?
B12 B9 B8 61.3(7) . . ?
B12 B9 H9 120.9 . . ?
B12 B9 B10 60.5(7) . . ?
B5 B10 B6 59.2(6) . . ?
B5 B10 H10 122.5 . . ?
B5 B10 B11 106.1(8) . . ?
B6 B10 H10 122.0 . . ?
B6 B10 B11 59.3(6) . . ?
B9 B10 B5 60.3(5) . . ?
B9 B10 B6 107.4(7) . . ?
B9 B10 H10 122.4 . . ?
B9 B10 B11 106.5(9) . . ?
B11 B10 H10 122.7 . . ?
B12 B10 B5 107.2(8) . . ?
B12 B10 B6 108.0(9) . . ?
B12 B10 B9 58.9(6) . . ?
B12 B10 H10 121.8 . . ?
B12 B10 B11 60.4(7) . . ?
C2 B11 B6 60.1(6) . . ?
C2 B11 B7 59.0(7) . . ?
C2 B11 B10 105.1(7) . . ?
C2 B11 H11 124.2 . . ?
C2 B11 B12 104.0(8) . . ?
B6 B11 B10 60.0(6) . . ?
B6 B11 H11 120.6 . . ?
B6 B11 B12 106.9(8) . . ?
B7 B11 B6 109.7(8) . . ?
B7 B11 B10 107.4(8) . . ?
B7 B11 H11 120.9 . . ?
B7 B11 B12 59.8(7) . . ?
B10 B11 H11 123.1 . . ?
B12 B11 B10 58.3(7) . . ?
B12 B11 H11 123.8 . . ?
B7 B12 B11 59.3(7) . . ?
B7 B12 H12 121.6 . . ?
B8 B12 B7 60.0(7) . . ?
B8 B12 B11 107.6(9) . . ?
B8 B12 H12 121.6 . . ?
B9 B12 B7 108.3(8) . . ?
B9 B12 B8 60.2(6) . . ?
B9 B12 B10 60.6(6) . . ?
B9 B12 B11 108.6(8) . . ?
B9 B12 H12 121.4 . . ?
B10 B12 B7 109.4(8) . . ?
B10 B12 B8 109.4(7) . . ?
B10 B12 B11 61.3(7) . . ?
B10 B12 H12 120.2 . . ?
B11 B12 H12 121.8 . . ?
B14 B13 H13 121.6 . . ?
B14 B13 B18 60.5(8) . . ?
B17 B13 H13 121.7 . . ?
B17 B13 B14 109.2(8) . . ?
B17 B13 B18 60.9(8) . . ?
B18 B13 H13 122.6 . . ?
C9 B13 H13 124.5 . . ?
C9 B13 B14 58.7(6) . . ?
C9 B13 B17 104.8(8) . . ?
C9 B13 B18 105.1(8) . . ?
C10 B13 H13 125.3 . . ?
C10 B13 B14 104.5(7) . . ?
C10 B13 B17 57.9(8) . . ?
C10 B13 B18 104.3(8) . . ?
C10 B13 C9 57.1(5) . . ?
B13 B14 H14A 121.4 . . ?
B13 B14 B15 107.9(8) . . ?
B13 B14 B18 60.2(8) . . ?
B13 B14 B19 106.6(9) . . ?
B15 B14 H14A 122.0 . . ?
B15 B14 B18 106.6(8) . . ?
B15 B14 B19 59.7(6) . . ?
B18 B14 H14A 122.9 . . ?
B19 B14 H14A 123.6 . . ?
B19 B14 B18 58.2(7) . . ?
C9 B14 B13 59.8(6) . . ?
C9 B14 H14A 123.8 . . ?
C9 B14 B15 58.6(5) . . ?
C9 B14 B18 105.7(9) . . ?
C9 B14 B19 104.6(7) . . ?
B14 B15 H15 120.6 . . ?
B14 B15 B16 108.8(8) . . ?
B14 B15 B20 109.7(8) . . ?
B16 B15 H15 121.9 . . ?
B19 B15 B14 60.5(6) . . ?
B19 B15 H15 122.5 . . ?
B19 B15 B16 107.0(8) . . ?
B19 B15 B20 60.5(6) . . ?
B20 B15 H15 121.5 . . ?
B20 B15 B16 59.0(6) . . ?
C9 B15 B14 59.1(5) . . ?
C9 B15 H15 123.5 . . ?
C9 B15 B16 60.0(5) . . ?
C9 B15 B19 105.6(7) . . ?
C9 B15 B20 106.5(7) . . ?
B15 B16 H16A 123.1 . . ?
B20 B16 B15 59.8(6) . . ?
B20 B16 H16A 121.7 . . ?
B21 B16 B15 108.7(8) . . ?
B21 B16 H16A 120.9 . . ?
B21 B16 B20 62.2(7) . . ?
B21 B16 C9 105.6(8) . . ?
C9 B16 B15 57.5(5) . . ?
C9 B16 H16A 124.7 . . ?
C9 B16 B20 105.1(7) . . ?
C10 B16 B15 103.5(7) . . ?
C10 B16 H16A 124.6 . . ?
C10 B16 B20 106.2(8) . . ?
C10 B16 B21 58.7(7) . . ?
C10 B16 C9 57.4(5) . . ?
B13 B17 H17 120.6 . . ?
B13 B17 B18 60.3(8) . . ?
B13 B17 B21 109.3(9) . . ?
B13 B17 B22 107.4(10) . . ?
B18 B17 H17 122.5 . . ?
B21 B17 H17 121.1 . . ?
B21 B17 B18 108.1(9) . . ?
B21 B17 B22 60.6(7) . . ?
B22 B17 H17 123.2 . . ?
B22 B17 B18 58.6(7) . . ?
C10 B17 B13 60.4(7) . . ?
C10 B17 H17 124.1 . . ?
C10 B17 B18 105.8(9) . . ?
C10 B17 B21 58.2(7) . . ?
C10 B17 B22 104.5(9) . . ?
B13 B18 B14 59.3(7) . . ?
B13 B18 B17 58.8(8) . . ?
B13 B18 H18A 122.4 . . ?
B14 B18 B17 106.6(8) . . ?
B14 B18 H18A 121.9 . . ?
B17 B18 H18A 122.6 . . ?
B19 B18 B13 108.0(8) . . ?
B19 B18 B14 60.9(7) . . ?
B19 B18 B17 107.8(9) . . ?
B19 B18 H18A 121.2 . . ?
B19 B18 B22 60.1(7) . . ?
B22 B18 B13 107.6(10) . . ?
B22 B18 B14 108.5(9) . . ?
B22 B18 B17 60.3(8) . . ?
B22 B18 H18A 121.4 . . ?
B14 B19 H19 121.3 . . ?
B15 B19 B14 59.8(6) . . ?
B15 B19 H19 121.9 . . ?
B15 B19 B20 59.8(6) . . ?
B18 B19 B14 60.9(7) . . ?
B18 B19 B15 108.9(8) . . ?
B18 B19 H19 120.6 . . ?
B18 B19 B20 109.8(9) . . ?
B18 B19 B22 60.3(8) . . ?
B20 B19 B14 108.6(7) . . ?
B20 B19 H19 120.9 . . ?
B22 B19 B14 108.7(9) . . ?
B22 B19 B15 108.2(8) . . ?
B22 B19 H19 121.4 . . ?
B22 B19 B20 60.9(7) . . ?
B15 B20 B19 59.7(6) . . ?
B15 B20 H20 122.0 . . ?
B15 B20 B21 106.8(7) . . ?
B15 B20 B22 106.1(7) . . ?
B16 B20 B15 61.2(6) . . ?
B16 B20 B19 108.1(7) . . ?
B16 B20 H20 121.8 . . ?
B16 B20 B21 58.3(7) . . ?
B16 B20 B22 106.4(8) . . ?
B19 B20 H20 122.4 . . ?
B19 B20 B21 106.3(9) . . ?
B19 B20 B22 58.4(7) . . ?
B21 B20 H20 122.9 . . ?
B22 B20 H20 123.2 . . ?
B22 B20 B21 59.8(8) . . ?
B16 B21 B17 108.3(8) . . ?
B16 B21 B20 59.5(7) . . ?
B16 B21 H21 121.4 . . ?
B16 B21 B22 107.3(9) . . ?
B17 B21 B20 107.9(9) . . ?
B17 B21 H21 121.4 . . ?
B17 B21 B22 59.9(8) . . ?
B20 B21 H21 122.6 . . ?
B22 B21 B20 59.7(7) . . ?
B22 B21 H21 123.0 . . ?
C10 B21 B16 59.4(6) . . ?
C10 B21 B17 58.4(7) . . ?
C10 B21 B20 104.7(8) . . ?
C10 B21 H21 124.8 . . ?
C10 B21 B22 104.1(9) . . ?
B17 B22 B20 108.3(8) . . ?
B17 B22 B21 59.5(8) . . ?
B17 B22 H22 121.7 . . ?
B18 B22 B17 61.1(9) . . ?
B18 B22 B20 109.2(8) . . ?
B18 B22 B21 109.2(8) . . ?
B18 B22 H22 120.8 . . ?
B19 B22 B17 108.1(8) . . ?
B19 B22 B18 59.7(8) . . ?
B19 B22 B20 60.7(7) . . ?
B19 B22 B21 108.8(8) . . ?
B19 B22 H22 121.6 . . ?
B20 B22 B21 60.6(7) . . ?
B20 B22 H22 121.0 . . ?
B21 B22 H22 121.2 . . ?
C18 C17 N3 116.2(7) . . ?
C16 C17 C18 121.4(7) . . ?
C16 C17 N3 122.1(7) . . ?
N1 C4 S1 126.2(6) . . ?
N1 C4 C1 111.9(6) . . ?
C1 C4 S1 121.8(6) . . ?
N2 C5 S2 124.5(6) . . ?
N2 C5 C9 113.3(7) . . ?
C9 C5 S2 122.2(6) . . ?
C18 C19 N1 117.3(7) . . ?
C14 C19 N1 120.9(7) . . ?
C14 C19 C18 121.8(7) . . ?
C14 C15 N2 120.5(7) . . ?
C16 C15 N2 118.3(6) . . ?
C16 C15 C14 121.2(7) . . ?
B13 C9 B16 112.0(7) . . ?
B14 C9 B13 61.5(7) . . ?
B14 C9 B16 113.5(6) . . ?
B15 C9 B13 112.3(7) . . ?
B15 C9 B14 62.3(6) . . ?
B15 C9 B16 62.6(6) . . ?
C5 C9 B13 115.5(6) . . ?
C5 C9 B14 122.2(7) . . ?
C5 C9 B15 124.9(7) . . ?
C5 C9 B16 118.6(6) . . ?
C5 C9 C10 116.5(7) . . ?
C10 C9 B13 61.3(7) . . ?
C10 C9 B14 110.1(7) . . ?
C10 C9 B15 109.3(6) . . ?
C10 C9 B16 59.5(6) . . ?
B13 C10 H10A 108(9) . . ?
B16 C10 B13 115.2(8) . . ?
B16 C10 H10A 128(9) . . ?
B17 C10 B13 61.7(8) . . ?
B17 C10 B16 114.4(8) . . ?
B17 C10 H10A 110(10) . . ?
B21 C10 B13 114.6(8) . . ?
B21 C10 B16 61.8(8) . . ?
B21 C10 B17 63.4(8) . . ?
B21 C10 H10A 122(9) . . ?
C9 C10 B13 61.6(6) . . ?
C9 C10 B16 63.1(6) . . ?
C9 C10 B17 111.6(9) . . ?
C9 C10 B21 112.7(8) . . ?
C9 C10 H10A 121(9) . . ?
C17 N3 H3A 111(6) . . ?
C6 N3 C17 131.4(11) . . ?
C6 N3 H3A 113(6) . . ?
C6' N3 C17 129.6(9) . . ?
C6' N3 H3A 115(6) . . ?
C12 C11 B23 60.4(10) . . ?
C12 C11 B25 111.0(10) . . ?
C12 C11 B26 59.9(8) . . ?
C12 C11 B24' 115.5(11) . . ?
C12 C11 B25' 115.6(9) . . ?
C6 C11 C12 122.0(9) . . ?
C6 C11 B23 112.2(12) . . ?
C6 C11 B24 116.5(11) . . ?
C6 C11 B25 122.9(12) . . ?
C6 C11 B26 125.6(11) . . ?
B24 C11 C12 108.2(8) . . ?
B24 C11 B23 61.6(11) . . ?
B24 C11 B25 59.0(11) . . ?
B24 C11 B26 111.8(11) . . ?
B25 C11 B23 111.3(12) . . ?
B25 C11 B26 65.2(12) . . ?
B26 C11 B23 111.9(12) . . ?
C6' C11 C12 126.9(9) . . ?
C6' C11 B23' 123.1(13) . . ?
C6' C11 B24' 111.8(14) . . ?
C6' C11 B25' 111.3(12) . . ?
C6' C11 B26' 118.0(13) . . ?
B23' C11 C12 64.5(10) . . ?
B23' C11 B24' 62.4(13) . . ?
B23' C11 B25' 106.5(15) . . ?
B25' C11 B24' 53.3(13) . . ?
B26' C11 C12 64.7(8) . . ?
B26' C11 B23' 115.8(11) . . ?
B26' C11 B24' 110.9(14) . . ?
B26' C11 B25' 65.5(13) . . ?
C11 C12 H12A 115(7) . . ?
C11 C12 B23 61.4(8) . . ?
C11 C12 B26 61.1(8) . . ?
C11 C12 B27 110.0(10) . . ?
C11 C12 B31 109.5(10) . . ?
C11 C12 B23' 57.6(8) . . ?
C11 C12 B26' 54.9(10) . . ?
C11 C12 B27' 103.2(9) . . ?
C11 C12 B31' 102.4(9) . . ?
B23 C12 H12A 127(7) . . ?
B26 C12 H12A 106(7) . . ?
B26 C12 B23 113.6(12) . . ?
B26 C12 B27 113.3(10) . . ?
B26 C12 B31 61.6(8) . . ?
B27 C12 H12A 131(7) . . ?
B27 C12 B23 61.5(10) . . ?
B31 C12 H12A 117(7) . . ?
B31 C12 B23 112.8(11) . . ?
B31 C12 B27 62.5(7) . . ?
B23' C12 H12A 108(7) . . ?
B26' C12 H12A 131(7) . . ?
B26' C12 B23' 102.6(14) . . ?
B27' C12 H12A 123(7) . . ?
B27' C12 B23' 59.5(8) . . ?
B27' C12 B26' 105.2(10) . . ?
B27' C12 B31' 59.2(7) . . ?
B31' C12 H12A 139(7) . . ?
B31' C12 B23' 105.7(11) . . ?
B31' C12 B26' 59.9(7) . . ?
N3 C6 C11 114.8(14) . . ?
N3 C6 S3 120.3(14) . . ?
C11 C6 S3 124.7(13) . . ?
C11 B23 H23 124.0 . . ?
C11 B23 B27 105.6(15) . . ?
C11 B23 B28 105.2(12) . . ?
C12 B23 C11 58.2(8) . . ?
C12 B23 H23 124.3 . . ?
C12 B23 B24 102.7(12) . . ?
C12 B23 B27 59.1(12) . . ?
C12 B23 B28 105.3(16) . . ?
B24 B23 C11 56.8(8) . . ?
B24 B23 H23 124.4 . . ?
B24 B23 B27 105.7(13) . . ?
B24 B23 B28 59.8(8) . . ?
B27 B23 H23 122.5 . . ?
B27 B23 B28 59.5(9) . . ?
B28 B23 H23 122.5 . . ?
C11 B24 B23 61.6(8) . . ?
C11 B24 H24 120.5 . . ?
C11 B24 B28 110.0(12) . . ?
C11 B24 B29 111.0(13) . . ?
B23 B24 H24 118.9 . . ?
B23 B24 B28 61.1(9) . . ?
B25 B24 C11 61.6(10) . . ?
B25 B24 B23 113.5(14) . . ?
B25 B24 H24 118.0 . . ?
B25 B24 B28 112.3(15) . . ?
B25 B24 B29 62.5(12) . . ?
B28 B24 H24 120.5 . . ?
B29 B24 B23 111.6(13) . . ?
B29 B24 H24 119.8 . . ?
B29 B24 B28 60.8(8) . . ?
C11 B25 H25 123.2 . . ?
C11 B25 B26 58.1(10) . . ?
C11 B25 B29 107.9(15) . . ?
C11 B25 B30 105.3(15) . . ?
B24 B25 C11 59.3(9) . . ?
B24 B25 H25 122.3 . . ?
B24 B25 B26 106.4(14) . . ?
B24 B25 B29 60.9(12) . . ?
B24 B25 B30 106.4(18) . . ?
B26 B25 H25 122.4 . . ?
B29 B25 H25 120.9 . . ?
B29 B25 B26 108.2(16) . . ?
B29 B25 B30 59.3(13) . . ?
B30 B25 H25 123.1 . . ?
B30 B25 B26 60.0(13) . . ?
C11 B26 B25 56.7(10) . . ?
C11 B26 H26 124.3 . . ?
C11 B26 B30 102.6(14) . . ?
C11 B26 B31 106.2(12) . . ?
C12 B26 C11 59.0(8) . . ?
C12 B26 B25 103.6(14) . . ?
C12 B26 H26 123.7 . . ?
C12 B26 B30 104.3(13) . . ?
C12 B26 B31 59.5(8) . . ?
B25 B26 H26 124.4 . . ?
B30 B26 B25 58.0(12) . . ?
B30 B26 H26 124.5 . . ?
B31 B26 B25 106.0(15) . . ?
B31 B26 H26 121.7 . . ?
B31 B26 B30 59.5(12) . . ?
C12 B27 B23 59.4(9) . . ?
C12 B27 H27 124.2 . . ?
C12 B27 B28 106.4(11) . . ?
C12 B27 B31 58.6(7) . . ?
C12 B27 B32 103.9(12) . . ?
B23 B27 H27 121.3 . . ?
B23 B27 B31 107.8(11) . . ?
B23 B27 B32 107.5(14) . . ?
B28 B27 B23 60.7(8) . . ?
B28 B27 H27 121.4 . . ?
B28 B27 B31 108.0(14) . . ?
B28 B27 B32 60.1(12) . . ?
B31 B27 H27 122.1 . . ?
B32 B27 H27 123.4 . . ?
B32 B27 B31 58.7(8) . . ?
B23 B28 H28 121.6 . . ?
B24 B28 B23 59.1(10) . . ?
B24 B28 B27 105.4(11) . . ?
B24 B28 H28 124.8 . . ?
B24 B28 B29 58.8(7) . . ?
B24 B28 B32 103.5(13) . . ?
B27 B28 B23 59.8(11) . . ?
B27 B28 H28 121.6 . . ?
B27 B28 B29 108.7(15) . . ?
B27 B28 B32 60.5(9) . . ?
B29 B28 B23 108.3(11) . . ?
B29 B28 H28 121.3 . . ?
B29 B28 B32 59.1(9) . . ?
B32 B28 B23 107.1(15) . . ?
B32 B28 H28 123.4 . . ?
B24 B29 B25 56.6(10) . . ?
B24 B29 B28 60.4(7) . . ?
B24 B29 H29 124.3 . . ?
B24 B29 B30 104.3(11) . . ?
B24 B29 B32 105.9(12) . . ?
B25 B29 B28 107.2(11) . . ?
B25 B29 H29 122.6 . . ?
B28 B29 H29 121.0 . . ?
B30 B29 B25 60.8(12) . . ?
B30 B29 B28 107.1(15) . . ?
B30 B29 H29 123.1 . . ?
B32 B29 B25 106.7(15) . . ?
B32 B29 B28 60.7(12) . . ?
B32 B29 H29 122.7 . . ?
B32 B29 B30 58.0(12) . . ?
B25 B30 B26 62.0(10) . . ?
B25 B30 H30 121.2 . . ?
B26 B30 H30 121.0 . . ?
B29 B30 B25 59.9(13) . . ?
B29 B30 B26 110.4(13) . . ?
B29 B30 H30 120.2 . . ?
B29 B30 B31 109.9(16) . . ?
B31 B30 B25 108.6(12) . . ?
B31 B30 B26 58.7(9) . . ?
B31 B30 H30 121.5 . . ?
B32 B30 B25 108.4(18) . . ?
B32 B30 B26 108.2(15) . . ?
B32 B30 B29 60.9(11) . . ?
B32 B30 H30 121.5 . . ?
B32 B30 B31 60.7(10) . . ?
C12 B31 B26 58.9(9) . . ?
C12 B31 B27 59.0(8) . . ?
C12 B31 B30 105.5(11) . . ?
C12 B31 H31 123.9 . . ?
C12 B31 B32 105.6(11) . . ?
B26 B31 B27 108.2(11) . . ?
B26 B31 B30 61.8(11) . . ?
B26 B31 H31 120.6 . . ?
B27 B31 H31 121.9 . . ?
B30 B31 B27 106.3(15) . . ?
B30 B31 H31 123.0 . . ?
B32 B31 B26 108.2(15) . . ?
B32 B31 B27 60.4(8) . . ?
B32 B31 B30 57.5(13) . . ?
B32 B31 H31 122.8 . . ?
B27 B32 H32 121.3 . . ?
B28 B32 B27 59.4(9) . . ?
B28 B32 H32 121.8 . . ?
B29 B32 B27 108.9(14) . . ?
B29 B32 B28 60.3(9) . . ?
B29 B32 B31 111.0(15) . . ?
B29 B32 H32 120.5 . . ?
B30 B32 B27 110.1(13) . . ?
B30 B32 B28 109.3(13) . . ?
B30 B32 B29 61.1(13) . . ?
B30 B32 B31 61.8(13) . . ?
B30 B32 H32 120.1 . . ?
B31 B32 B27 60.8(8) . . ?
B31 B32 B28 109.1(11) . . ?
B31 B32 H32 119.9 . . ?
N3 C6' C11 107.4(14) . . ?
N3 C6' S3' 127.2(13) . . ?
C11 C6' S3' 124.4(14) . . ?
C11 B23' C12 57.9(10) . . ?
C11 B23' H23' 124.3 . . ?
C11 B23' B24' 61.3(12) . . ?
C11 B23' B27' 102.8(13) . . ?
C11 B23' B28' 106.2(15) . . ?
C12 B23' H23' 121.6 . . ?
B24' B23' C12 109.3(16) . . ?
B24' B23' H23' 120.7 . . ?
B27' B23' C12 58.8(9) . . ?
B27' B23' H23' 124.1 . . ?
B27' B23' B24' 106.8(16) . . ?
B27' B23' B28' 60.0(9) . . ?
B28' B23' C12 108.2(12) . . ?
B28' B23' H23' 121.9 . . ?
B28' B23' B24' 59.4(14) . . ?
C11 B24' B23' 56.3(12) . . ?
C11 B24' H24' 124.4 . . ?
C11 B24' B28' 103.0(16) . . ?
B23' B24' H24' 122.2 . . ?
B25' B24' C11 61.1(14) . . ?
B25' B24' B23' 108(2) . . ?
B25' B24' H24' 120.8 . . ?
B25' B24' B28' 107(2) . . ?
B25' B24' B29' 60.7(17) . . ?
B28' B24' B23' 60.3(13) . . ?
B28' B24' H24' 124.0 . . ?
B29' B24' C11 107.0(19) . . ?
B29' B24' B23' 108.1(19) . . ?
B29' B24' H24' 121.5 . . ?
B29' B24' B28' 58.6(15) . . ?
C11 B25' H25' 122.9 . . ?
C11 B25' B26' 54.1(11) . . ?
C11 B25' B30' 104.4(14) . . ?
B24' B25' C11 65.6(13) . . ?
B24' B25' H25' 115.1 . . ?
B24' B25' B26' 111.7(18) . . ?
B24' B25' B29' 65.1(18) . . ?
B24' B25' B30' 114(2) . . ?
B26' B25' H25' 122.6 . . ?
B29' B25' C11 113.4(19) . . ?
B29' B25' H25' 117.1 . . ?
B29' B25' B26' 111.6(14) . . ?
B29' B25' B30' 61.5(10) . . ?
B30' B25' H25' 121.8 . . ?
B30' B25' B26' 60.6(10) . . ?
C11 B26' C12 60.4(8) . . ?
C11 B26' B25' 60.4(13) . . ?
C11 B26' H26' 121.6 . . ?
C11 B26' B30' 108.3(17) . . ?
C11 B26' B31' 106.7(13) . . ?
C12 B26' B25' 108.4(17) . . ?
C12 B26' H26' 120.7 . . ?
C12 B26' B30' 109.0(12) . . ?
B25' B26' H26' 122.7 . . ?
B25' B26' B30' 59.1(10) . . ?
B30' B26' H26' 121.5 . . ?
B31' B26' C12 59.9(7) . . ?
B31' B26' B25' 105.2(15) . . ?
B31' B26' H26' 123.5 . . ?
B31' B26' B30' 59.3(8) . . ?
C12 B27' B23' 61.7(11) . . ?
C12 B27' H27' 118.9 . . ?
C12 B27' B28' 111.4(10) . . ?
C12 B27' B32' 111.3(12) . . ?
B23' B27' H27' 121.1 . . ?
B23' B27' B28' 60.9(12) . . ?
B23' B27' B32' 108.6(14) . . ?
B28' B27' H27' 121.2 . . ?
B31' B27' C12 60.5(7) . . ?
B31' B27' B23' 108.5(12) . . ?
B31' B27' H27' 121.8 . . ?
B31' B27' B28' 108.1(13) . . ?
B31' B27' B32' 61.2(8) . . ?
B32' B27' H27' 120.9 . . ?
B32' B27' B28' 59.0(8) . . ?
B23' B28' H28' 121.5 . . ?
B24' B28' B23' 60.3(11) . . ?
B24' B28' H28' 122.3 . . ?
B27' B28' B23' 59.1(9) . . ?
B27' B28' B24' 106.8(14) . . ?
B27' B28' H28' 122.3 . . ?
B29' B28' B23' 109.2(14) . . ?
B29' B28' B24' 59.9(12) . . ?
B29' B28' B27' 108.8(14) . . ?
B29' B28' H28' 120.6 . . ?
B29' B28' B32' 61.0(11) . . ?
B32' B28' B23' 108.0(14) . . ?
B32' B28' B24' 107.8(18) . . ?
B32' B28' B27' 60.1(8) . . ?
B32' B28' H28' 121.5 . . ?
B24' B29' H29' 123.2 . . ?
B24' B29' B30' 105.5(15) . . ?
B24' B29' B32' 108.3(17) . . ?
B25' B29' B24' 54.1(13) . . ?
B25' B29' B28' 103.7(14) . . ?
B25' B29' H29' 124.6 . . ?
B25' B29' B30' 61.5(10) . . ?
B25' B29' B32' 106.7(17) . . ?
B28' B29' B24' 61.5(13) . . ?
B28' B29' H29' 122.5 . . ?
B28' B29' B30' 106.5(16) . . ?
B28' B29' B32' 59.9(10) . . ?
B30' B29' H29' 122.2 . . ?
B32' B29' H29' 121.5 . . ?
B32' B29' B30' 59.0(14) . . ?
B25' B30' B26' 60.3(14) . . ?
B25' B30' H30' 124.6 . . ?
B26' B30' H30' 121.6 . . ?
B29' B30' B25' 57.0(14) . . ?
B29' B30' B26' 107.7(14) . . ?
B29' B30' H30' 121.7 . . ?
B31' B30' B25' 106.1(13) . . ?
B31' B30' B26' 59.2(8) . . ?
B31' B30' B29' 109.5(17) . . ?
B31' B30' H30' 121.3 . . ?
B32' B30' B25' 104.3(17) . . ?
B32' B30' B26' 107.8(13) . . ?
B32' B30' B29' 60.5(10) . . ?
B32' B30' H30' 122.2 . . ?
B32' B30' B31' 61.2(10) . . ?
C12 B31' B30' 111.1(11) . . ?
C12 B31' H31' 119.5 . . ?
C12 B31' B32' 110.4(11) . . ?
B26' B31' C12 60.2(7) . . ?
B26' B31' B30' 61.5(8) . . ?
B26' B31' H31' 122.2 . . ?
B26' B31' B32' 107.8(15) . . ?
B27' B31' C12 60.3(7) . . ?
B27' B31' B26' 106.2(12) . . ?
B27' B31' B30' 107.2(15) . . ?
B27' B31' H31' 122.9 . . ?
B27' B31' B32' 60.4(8) . . ?
B30' B31' H31' 120.9 . . ?
B30' B31' B32' 58.9(14) . . ?
B32' B31' H31' 121.4 . . ?
B27' B32' B31' 58.4(8) . . ?
B27' B32' H32' 122.3 . . ?
B28' B32' B27' 61.0(8) . . ?
B28' B32' B29' 59.1(15) . . ?
B28' B32' B31' 107.5(11) . . ?
B28' B32' H32' 122.1 . . ?
B29' B32' B27' 108.0(14) . . ?
B29' B32' B31' 108.5(17) . . ?
B29' B32' H32' 121.3 . . ?
B30' B32' B27' 106.5(12) . . ?
B30' B32' B28' 107.0(14) . . ?
B30' B32' B29' 60.6(10) . . ?
B30' B32' B31' 59.9(10) . . ?
B30' B32' H32' 122.3 . . ?
B31' B32' H32' 122.1 . . ?
Cl1 C13 H13A 106.7 . . ?
Cl1 C13 H13B 106.7 . . ?
Cl1 C13 Cl2 122.5(15) . . ?
H13A C13 H13B 106.6 . . ?
Cl2 C13 H13A 106.7 . . ?
Cl2 C13 H13B 106.7 . . ?
Cl1 C13' H13C 110.6 . . ?
Cl1 C13' H13D 110.6 . . ?
H13C C13' H13D 108.7 . . ?
Cl2' C13' Cl1 106(2) . . ?
Cl2' C13' H13C 110.6 . . ?
Cl2' C13' H13D 110.6 . . ?

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
S2 C5 C9 B13 68.8(10) . . . . ?
S2 C5 C9 B14 139.8(8) . . . . ?
S2 C5 C9 B15 -143.4(7) . . . . ?
S2 C5 C9 B16 -68.5(9) . . . . ?
S2 C5 C9 C10 -0.4(10) . . . . ?
N2 C5 C9 B13 -111.5(9) . . . . ?
N2 C5 C9 B14 -40.4(11) . . . . ?
N2 C5 C9 B15 36.3(10) . . . . ?
N2 C5 C9 B16 111.2(9) . . . . ?
N2 C5 C9 C10 179.4(7) . . . . ?
C18 C17 N3 C6 97.1(15) . . . . ?
C18 C17 N3 C6' 145.2(15) . . . . ?
C16 C17 N3 C6 -89.3(15) . . . . ?
C16 C17 N3 C6' -41.3(18) . . . . ?
C1 C2 B3 B4 36.4(6) . . . . ?
C1 C2 B3 B7 137.9(9) . . . . ?
C1 C2 B3 B8 97.0(7) . . . . ?
C1 C2 B6 B5 -36.2(6) . . . . ?
C1 C2 B6 B10 -97.9(7) . . . . ?
C1 C2 B6 B11 -139.0(7) . . . . ?
C1 C2 B7 B3 -39.4(8) . . . . ?
C1 C2 B7 B8 2.0(12) . . . . ?
C1 C2 B7 B11 105.5(9) . . . . ?
C1 C2 B7 B12 63.9(10) . . . . ?
C1 C2 B11 B6 38.9(7) . . . . ?
C1 C2 B11 B7 -104.0(8) . . . . ?
C1 C2 B11 B10 -2.5(10) . . . . ?
C1 C2 B11 B12 -62.8(9) . . . . ?
C1 B3 B4 B5 32.0(6) . . . . ?
C1 B3 B4 B8 132.8(8) . . . . ?
C1 B3 B4 B9 95.5(7) . . . . ?
C1 B3 B7 C2 34.9(7) . . . . ?
C1 B3 B7 B8 -97.3(8) . . . . ?
C1 B3 B7 B11 4.3(10) . . . . ?
C1 B3 B7 B12 -60.2(9) . . . . ?
C1 B3 B8 B4 -39.6(6) . . . . ?
C1 B3 B8 B7 97.8(8) . . . . ?
C1 B3 B8 B9 -1.5(9) . . . . ?
C1 B3 B8 B12 60.6(9) . . . . ?
C1 B4 B5 B6 32.6(6) . . . . ?
C1 B4 B5 B9 132.4(7) . . . . ?
C1 B4 B5 B10 97.0(8) . . . . ?
C1 B4 B8 B3 40.3(7) . . . . ?
C1 B4 B8 B7 2.0(10) . . . . ?
C1 B4 B8 B9 -97.6(7) . . . . ?
C1 B4 B8 B12 -61.5(9) . . . . ?
C1 B4 B9 B5 -40.3(6) . . . . ?
C1 B4 B9 B8 98.7(7) . . . . ?
C1 B4 B9 B10 -3.7(9) . . . . ?
C1 B4 B9 B12 61.0(8) . . . . ?
C1 B5 B6 C2 35.1(6) . . . . ?
C1 B5 B6 B10 132.4(8) . . . . ?
C1 B5 B6 B11 93.5(8) . . . . ?
C1 B5 B9 B4 40.2(6) . . . . ?
C1 B5 B9 B8 3.3(9) . . . . ?
C1 B5 B9 B10 -99.8(8) . . . . ?
C1 B5 B9 B12 -61.8(9) . . . . ?
C1 B5 B10 B6 -41.3(7) . . . . ?
C1 B5 B10 B9 96.7(7) . . . . ?
C1 B5 B10 B11 -3.5(9) . . . . ?
C1 B5 B10 B12 59.8(9) . . . . ?
C1 B6 B10 B5 40.3(6) . . . . ?
C1 B6 B10 B9 2.7(10) . . . . ?
C1 B6 B10 B11 -96.5(8) . . . . ?
C1 B6 B10 B12 -59.4(9) . . . . ?
C1 B6 B11 C2 -33.8(6) . . . . ?
C1 B6 B11 B7 -0.4(10) . . . . ?
C1 B6 B11 B10 98.8(7) . . . . ?
C1 B6 B11 B12 62.9(10) . . . . ?
C2 C1 B3 B4 -136.9(7) . . . . ?
C2 C1 B3 B7 -35.5(7) . . . . ?
C2 C1 B3 B8 -96.8(8) . . . . ?
C2 C1 B4 B3 40.3(7) . . . . ?
C2 C1 B4 B5 -103.4(7) . . . . ?
C2 C1 B4 B8 -0.7(9) . . . . ?
C2 C1 B4 B9 -62.3(8) . . . . ?
C2 C1 B5 B4 104.1(7) . . . . ?
C2 C1 B5 B6 -39.7(6) . . . . ?
C2 C1 B5 B9 63.3(8) . . . . ?
C2 C1 B5 B10 2.2(9) . . . . ?
C2 C1 B6 B5 137.5(7) . . . . ?
C2 C1 B6 B10 96.3(8) . . . . ?
C2 C1 B6 B11 33.9(7) . . . . ?
C2 C1 C4 S1 -4.3(10) . . . . ?
C2 C1 C4 N1 177.3(7) . . . . ?
C2 B3 B4 C1 -35.7(6) . . . . ?
C2 B3 B4 B5 -3.7(8) . . . . ?
C2 B3 B4 B8 97.1(8) . . . . ?
C2 B3 B4 B9 59.7(8) . . . . ?
C2 B3 B7 B8 -132.2(9) . . . . ?
C2 B3 B7 B11 -30.6(8) . . . . ?
C2 B3 B7 B12 -95.1(9) . . . . ?
C2 B3 B8 B4 -97.5(7) . . . . ?
C2 B3 B8 B7 39.9(7) . . . . ?
C2 B3 B8 B9 -59.5(8) . . . . ?
C2 B3 B8 B12 2.7(9) . . . . ?
C2 B6 B10 B5 97.9(7) . . . . ?
C2 B6 B10 B9 60.4(9) . . . . ?
C2 B6 B10 B11 -38.9(7) . . . . ?
C2 B6 B10 B12 -1.7(9) . . . . ?
C2 B6 B11 B7 33.4(8) . . . . ?
C2 B6 B11 B10 132.6(8) . . . . ?
C2 B6 B11 B12 96.7(9) . . . . ?
C2 B7 B8 B3 -41.0(8) . . . . ?
C2 B7 B8 B4 -2.4(12) . . . . ?
C2 B7 B8 B9 61.3(10) . . . . ?
C2 B7 B8 B12 97.6(10) . . . . ?
C2 B7 B11 B6 -33.8(7) . . . . ?
C2 B7 B11 B10 -97.5(8) . . . . ?
C2 B7 B11 B12 -132.4(8) . . . . ?
C2 B7 B12 B8 -98.7(8) . . . . ?
C2 B7 B12 B9 -61.5(10) . . . . ?
C2 B7 B12 B10 3.0(10) . . . . ?
C2 B7 B12 B11 39.7(7) . . . . ?
C2 B11 B12 B7 -40.7(7) . . . . ?
C2 B11 B12 B8 -3.6(11) . . . . ?
C2 B11 B12 B9 60.0(11) . . . . ?
C2 B11 B12 B10 99.3(8) . . . . ?
B3 C1 C2 B6 149.2(7) . . . . ?
B3 C1 C2 B7 40.1(8) . . . . ?
B3 C1 C2 B11 109.6(8) . . . . ?
B3 C1 B4 B5 -143.7(7) . . . . ?
B3 C1 B4 B8 -41.1(7) . . . . ?
B3 C1 B4 B9 -102.6(7) . . . . ?
B3 C1 B5 B4 36.1(7) . . . . ?
B3 C1 B5 B6 -107.7(8) . . . . ?
B3 C1 B5 B9 -4.7(9) . . . . ?
B3 C1 B5 B10 -65.8(9) . . . . ?
B3 C1 B6 C2 -30.4(7) . . . . ?
B3 C1 B6 B5 107.1(8) . . . . ?
B3 C1 B6 B10 66.0(9) . . . . ?
B3 C1 B6 B11 3.6(10) . . . . ?
B3 C1 C4 S1 65.6(8) . . . . ?
B3 C1 C4 N1 -112.8(7) . . . . ?
B3 C2 B6 C1 30.2(7) . . . . ?
B3 C2 B6 B5 -5.9(9) . . . . ?
B3 C2 B6 B10 -67.6(9) . . . . ?
B3 C2 B6 B11 -108.8(9) . . . . ?
B3 C2 B7 B8 41.5(8) . . . . ?
B3 C2 B7 B11 144.9(9) . . . . ?
B3 C2 B7 B12 103.4(8) . . . . ?
B3 C2 B11 B6 107.6(8) . . . . ?
B3 C2 B11 B7 -35.2(8) . . . . ?
B3 C2 B11 B10 66.3(10) . . . . ?
B3 C2 B11 B12 5.9(11) . . . . ?
B3 B4 B5 C1 -32.2(6) . . . . ?
B3 B4 B5 B6 0.4(9) . . . . ?
B3 B4 B5 B9 100.3(8) . . . . ?
B3 B4 B5 B10 64.9(9) . . . . ?
B3 B4 B8 B7 -38.3(8) . . . . ?
B3 B4 B8 B9 -137.9(8) . . . . ?
B3 B4 B8 B12 -101.8(9) . . . . ?
B3 B4 B9 B5 -101.3(7) . . . . ?
B3 B4 B9 B8 37.7(7) . . . . ?
B3 B4 B9 B10 -64.8(9) . . . . ?
B3 B4 B9 B12 -0.1(9) . . . . ?
B3 B7 B8 B4 38.5(8) . . . . ?
B3 B7 B8 B9 102.3(8) . . . . ?
B3 B7 B8 B12 138.6(8) . . . . ?
B3 B7 B11 C2 31.3(8) . . . . ?
B3 B7 B11 B6 -2.5(12) . . . . ?
B3 B7 B11 B10 -66.2(10) . . . . ?
B3 B7 B11 B12 -101.1(9) . . . . ?
B3 B7 B12 B8 -37.2(7) . . . . ?
B3 B7 B12 B9 0.1(11) . . . . ?
B3 B7 B12 B10 64.5(10) . . . . ?
B3 B7 B12 B11 101.2(8) . . . . ?
B3 B8 B9 B4 -38.2(7) . . . . ?
B3 B8 B9 B5 -1.2(10) . . . . ?
B3 B8 B9 B10 63.6(9) . . . . ?
B3 B8 B9 B12 100.6(8) . . . . ?
B3 B8 B12 B7 37.3(7) . . . . ?
B3 B8 B12 B9 -101.2(8) . . . . ?
B3 B8 B12 B10 -64.5(11) . . . . ?
B3 B8 B12 B11 0.5(11) . . . . ?
B4 C1 C2 B3 -41.0(7) . . . . ?
B4 C1 C2 B6 108.2(7) . . . . ?
B4 C1 C2 B7 -0.9(11) . . . . ?
B4 C1 C2 B11 68.6(9) . . . . ?
B4 C1 B3 C2 136.9(7) . . . . ?
B4 C1 B3 B7 101.4(8) . . . . ?
B4 C1 B3 B8 40.1(6) . . . . ?
B4 C1 B5 B6 -143.9(7) . . . . ?
B4 C1 B5 B9 -40.8(6) . . . . ?
B4 C1 B5 B10 -101.9(7) . . . . ?
B4 C1 B6 C2 -101.8(7) . . . . ?
B4 C1 B6 B5 35.6(7) . . . . ?
B4 C1 B6 B10 -5.5(9) . . . . ?
B4 C1 B6 B11 -67.9(9) . . . . ?
B4 C1 C4 S1 139.2(6) . . . . ?
B4 C1 C4 N1 -39.3(10) . . . . ?
B4 B3 B7 C2 95.0(8) . . . . ?
B4 B3 B7 B8 -37.2(7) . . . . ?
B4 B3 B7 B11 64.4(9) . . . . ?
B4 B3 B7 B12 -0.1(10) . . . . ?
B4 B3 B8 B7 137.4(8) . . . . ?
B4 B3 B8 B9 38.1(7) . . . . ?
B4 B3 B8 B12 100.2(8) . . . . ?
B4 B5 B6 C1 -32.1(6) . . . . ?
B4 B5 B6 C2 3.0(8) . . . . ?
B4 B5 B6 B10 100.3(8) . . . . ?
B4 B5 B6 B11 61.4(9) . . . . ?
B4 B5 B9 B8 -36.9(7) . . . . ?
B4 B5 B9 B10 -140.0(8) . . . . ?
B4 B5 B9 B12 -102.0(9) . . . . ?
B4 B5 B10 B6 -102.3(8) . . . . ?
B4 B5 B10 B9 35.6(7) . . . . ?
B4 B5 B10 B11 -64.6(9) . . . . ?
B4 B5 B10 B12 -1.2(10) . . . . ?
B4 B8 B9 B5 37.1(7) . . . . ?
B4 B8 B9 B10 101.8(7) . . . . ?
B4 B8 B9 B12 138.8(8) . . . . ?
B4 B8 B12 B7 101.6(8) . . . . ?
B4 B8 B12 B9 -36.9(7) . . . . ?
B4 B8 B12 B10 -0.2(11) . . . . ?
B4 B8 B12 B11 64.8(10) . . . . ?
B4 B9 B10 B5 -36.5(7) . . . . ?
B4 B9 B10 B6 0.6(11) . . . . ?
B4 B9 B10 B11 62.9(9) . . . . ?
B4 B9 B10 B12 101.5(9) . . . . ?
B4 B9 B12 B7 0.0(10) . . . . ?
B4 B9 B12 B8 37.2(7) . . . . ?
B4 B9 B12 B10 -102.4(8) . . . . ?
B4 B9 B12 B11 -62.8(10) . . . . ?
B5 C1 C2 B3 -109.4(8) . . . . ?
B5 C1 C2 B6 39.8(6) . . . . ?
B5 C1 C2 B7 -69.3(10) . . . . ?
B5 C1 C2 B11 0.2(9) . . . . ?
B5 C1 B3 C2 100.8(8) . . . . ?
B5 C1 B3 B4 -36.1(7) . . . . ?
B5 C1 B3 B7 65.3(9) . . . . ?
B5 C1 B3 B8 4.0(9) . . . . ?
B5 C1 B4 B3 143.7(7) . . . . ?
B5 C1 B4 B8 102.7(7) . . . . ?
B5 C1 B4 B9 41.1(6) . . . . ?
B5 C1 B6 C2 -137.5(7) . . . . ?
B5 C1 B6 B10 -41.1(7) . . . . ?
B5 C1 B6 B11 -103.5(8) . . . . ?
B5 C1 C4 S1 -144.6(6) . . . . ?
B5 C1 C4 N1 37.0(9) . . . . ?
B5 B4 B8 B3 101.2(8) . . . . ?
B5 B4 B8 B7 62.9(10) . . . . ?
B5 B4 B8 B9 -36.7(7) . . . . ?
B5 B4 B8 B12 -0.6(10) . . . . ?
B5 B4 B9 B8 139.0(8) . . . . ?
B5 B4 B9 B10 36.6(8) . . . . ?
B5 B4 B9 B12 101.3(8) . . . . ?
B5 B6 B10 B9 -37.6(7) . . . . ?
B5 B6 B10 B11 -136.8(8) . . . . ?
B5 B6 B10 B12 -99.7(8) . . . . ?
B5 B6 B11 C2 -94.1(8) . . . . ?
B5 B6 B11 B7 -60.7(10) . . . . ?
B5 B6 B11 B10 38.5(7) . . . . ?
B5 B6 B11 B12 2.6(11) . . . . ?
B5 B9 B10 B6 37.1(7) . . . . ?
B5 B9 B10 B11 99.4(8) . . . . ?
B5 B9 B10 B12 138.0(9) . . . . ?
B5 B9 B12 B7 64.4(10) . . . . ?
B5 B9 B12 B8 101.6(8) . . . . ?
B5 B9 B12 B10 -38.0(8) . . . . ?
B5 B9 B12 B11 1.5(12) . . . . ?
B5 B10 B11 C2 3.7(10) . . . . ?
B5 B10 B11 B6 -37.7(7) . . . . ?
B5 B10 B11 B7 65.4(9) . . . . ?
B5 B10 B11 B12 101.0(8) . . . . ?
B5 B10 B12 B7 -63.2(10) . . . . ?
B5 B10 B12 B8 0.9(11) . . . . ?
B5 B10 B12 B9 37.4(8) . . . . ?
B5 B10 B12 B11 -99.1(9) . . . . ?
B6 C1 C2 B3 -149.2(7) . . . . ?
B6 C1 C2 B7 -109.1(9) . . . . ?
B6 C1 C2 B11 -39.6(7) . . . . ?
B6 C1 B3 C2 30.4(7) . . . . ?
B6 C1 B3 B4 -106.5(8) . . . . ?
B6 C1 B3 B7 -5.1(10) . . . . ?
B6 C1 B3 B8 -66.4(9) . . . . ?
B6 C1 B4 B3 108.5(8) . . . . ?
B6 C1 B4 B5 -35.2(7) . . . . ?
B6 C1 B4 B8 67.4(9) . . . . ?
B6 C1 B4 B9 5.9(9) . . . . ?
B6 C1 B5 B4 143.9(7) . . . . ?
B6 C1 B5 B9 103.0(7) . . . . ?
B6 C1 B5 B10 41.9(6) . . . . ?
B6 C1 C4 S1 -73.7(8) . . . . ?
B6 C1 C4 N1 107.8(8) . . . . ?
B6 C2 B3 C1 -30.3(7) . . . . ?
B6 C2 B3 B4 6.1(9) . . . . ?
B6 C2 B3 B7 107.6(9) . . . . ?
B6 C2 B3 B8 66.7(8) . . . . ?
B6 C2 B7 B3 -107.8(8) . . . . ?
B6 C2 B7 B8 -66.3(10) . . . . ?
B6 C2 B7 B11 37.1(8) . . . . ?
B6 C2 B7 B12 -4.5(10) . . . . ?
B6 C2 B11 B7 -142.8(8) . . . . ?
B6 C2 B11 B10 -41.3(7) . . . . ?
B6 C2 B11 B12 -101.7(8) . . . . ?
B6 B5 B9 B4 102.1(8) . . . . ?
B6 B5 B9 B8 65.3(9) . . . . ?
B6 B5 B9 B10 -37.9(8) . . . . ?
B6 B5 B9 B12 0.1(10) . . . . ?
B6 B5 B10 B9 137.9(8) . . . . ?
B6 B5 B10 B11 37.8(7) . . . . ?
B6 B5 B10 B12 101.1(9) . . . . ?
B6 B10 B11 C2 41.4(7) . . . . ?
B6 B10 B11 B7 103.1(8) . . . . ?
B6 B10 B11 B12 138.7(8) . . . . ?
B6 B10 B12 B7 -0.7(10) . . . . ?
B6 B10 B12 B8 63.3(10) . . . . ?
B6 B10 B12 B9 99.9(8) . . . . ?
B6 B10 B12 B11 -36.6(7) . . . . ?
B6 B11 B12 B7 -103.3(9) . . . . ?
B6 B11 B12 B8 -66.2(11) . . . . ?
B6 B11 B12 B9 -2.6(12) . . . . ?
B6 B11 B12 B10 36.7(8) . . . . ?
B7 C2 B3 C1 -137.9(8) . . . . ?
B7 C2 B3 B4 -101.5(8) . . . . ?
B7 C2 B3 B8 -40.9(8) . . . . ?
B7 C2 B6 C1 101.9(8) . . . . ?
B7 C2 B6 B5 65.7(9) . . . . ?
B7 C2 B6 B10 4.0(9) . . . . ?
B7 C2 B6 B11 -37.1(8) . . . . ?
B7 C2 B11 B6 142.8(8) . . . . ?
B7 C2 B11 B10 101.5(8) . . . . ?
B7 C2 B11 B12 41.1(8) . . . . ?
B7 B3 B4 C1 -95.3(7) . . . . ?
B7 B3 B4 B5 -63.3(8) . . . . ?
B7 B3 B4 B8 37.5(7) . . . . ?
B7 B3 B4 B9 0.1(9) . . . . ?
B7 B3 B8 B4 -137.4(8) . . . . ?
B7 B3 B8 B9 -99.3(9) . . . . ?
B7 B3 B8 B12 -37.2(8) . . . . ?
B7 B8 B9 B4 -101.9(8) . . . . ?
B7 B8 B9 B5 -64.8(9) . . . . ?
B7 B8 B9 B10 -0.1(9) . . . . ?
B7 B8 B9 B12 36.9(7) . . . . ?
B7 B8 B12 B9 -138.5(8) . . . . ?
B7 B8 B12 B10 -101.8(9) . . . . ?
B7 B8 B12 B11 -36.8(8) . . . . ?
B7 B11 B12 B8 37.1(8) . . . . ?
B7 B11 B12 B9 100.7(9) . . . . ?
B7 B11 B12 B10 140.0(8) . . . . ?
B8 B3 B4 C1 -132.8(8) . . . . ?
B8 B3 B4 B5 -100.8(8) . . . . ?
B8 B3 B4 B9 -37.4(7) . . . . ?
B8 B3 B7 C2 132.2(9) . . . . ?
B8 B3 B7 B11 101.6(10) . . . . ?
B8 B3 B7 B12 37.1(8) . . . . ?
B8 B4 B5 C1 -95.9(7) . . . . ?
B8 B4 B5 B6 -63.4(9) . . . . ?
B8 B4 B5 B9 36.5(7) . . . . ?
B8 B4 B5 B10 1.1(10) . . . . ?
B8 B4 B9 B5 -139.0(8) . . . . ?
B8 B4 B9 B10 -102.5(9) . . . . ?
B8 B4 B9 B12 -37.8(7) . . . . ?
B8 B7 B11 C2 95.1(8) . . . . ?
B8 B7 B11 B6 61.3(10) . . . . ?
B8 B7 B11 B10 -2.4(10) . . . . ?
B8 B7 B11 B12 -37.3(7) . . . . ?
B8 B7 B12 B9 37.3(7) . . . . ?
B8 B7 B12 B10 101.7(8) . . . . ?
B8 B7 B12 B11 138.4(7) . . . . ?
B8 B9 B10 B5 -100.8(8) . . . . ?
B8 B9 B10 B6 -63.6(9) . . . . ?
B8 B9 B10 B11 -1.4(9) . . . . ?
B8 B9 B10 B12 37.3(8) . . . . ?
B8 B9 B12 B7 -37.2(8) . . . . ?
B8 B9 B12 B10 -139.6(8) . . . . ?
B8 B9 B12 B11 -100.0(10) . . . . ?
B9 B4 B5 C1 -132.4(7) . . . . ?
B9 B4 B5 B6 -99.9(8) . . . . ?
B9 B4 B5 B10 -35.4(7) . . . . ?
B9 B4 B8 B3 137.9(8) . . . . ?
B9 B4 B8 B7 99.6(9) . . . . ?
B9 B4 B8 B12 36.1(8) . . . . ?
B9 B5 B6 C1 -95.2(7) . . . . ?
B9 B5 B6 C2 -60.1(8) . . . . ?
B9 B5 B6 B10 37.1(7) . . . . ?
B9 B5 B6 B11 -1.7(10) . . . . ?
B9 B5 B10 B6 -137.9(8) . . . . ?
B9 B5 B10 B11 -100.2(9) . . . . ?
B9 B5 B10 B12 -36.8(8) . . . . ?
B9 B8 B12 B7 138.5(8) . . . . ?
B9 B8 B12 B10 36.7(8) . . . . ?
B9 B8 B12 B11 101.7(9) . . . . ?
B9 B10 B11 C2 -59.4(9) . . . . ?
B9 B10 B11 B6 -100.8(7) . . . . ?
B9 B10 B11 B7 2.3(9) . . . . ?
B9 B10 B11 B12 37.9(7) . . . . ?
B9 B10 B12 B7 -100.6(9) . . . . ?
B9 B10 B12 B8 -36.6(8) . . . . ?
B9 B10 B12 B11 -136.5(8) . . . . ?
B10 B5 B6 C1 -132.4(8) . . . . ?
B10 B5 B6 C2 -97.2(8) . . . . ?
B10 B5 B6 B11 -38.8(8) . . . . ?
B10 B5 B9 B4 140.0(8) . . . . ?
B10 B5 B9 B8 103.1(9) . . . . ?
B10 B5 B9 B12 38.0(8) . . . . ?
B10 B6 B11 C2 -132.6(8) . . . . ?
B10 B6 B11 B7 -99.2(9) . . . . ?
B10 B6 B11 B12 -35.9(8) . . . . ?
B10 B9 B12 B7 102.4(9) . . . . ?
B10 B9 B12 B8 139.6(8) . . . . ?
B10 B9 B12 B11 39.6(9) . . . . ?
B10 B11 B12 B7 -140.0(8) . . . . ?
B10 B11 B12 B8 -102.9(9) . . . . ?
B10 B11 B12 B9 -39.2(8) . . . . ?
B11 C2 B3 C1 -102.6(9) . . . . ?
B11 C2 B3 B4 -66.1(9) . . . . ?
B11 C2 B3 B7 35.4(9) . . . . ?
B11 C2 B3 B8 -5.6(10) . . . . ?
B11 C2 B6 C1 139.0(7) . . . . ?
B11 C2 B6 B5 102.8(7) . . . . ?
B11 C2 B6 B10 41.1(7) . . . . ?
B11 C2 B7 B3 -144.9(9) . . . . ?
B11 C2 B7 B8 -103.4(10) . . . . ?
B11 C2 B7 B12 -41.6(8) . . . . ?
B11 B6 B10 B5 136.8(8) . . . . ?
B11 B6 B10 B9 99.2(9) . . . . ?
B11 B6 B10 B12 37.1(8) . . . . ?
B11 B7 B8 B3 -100.8(8) . . . . ?
B11 B7 B8 B4 -62.2(10) . . . . ?
B11 B7 B8 B9 1.5(10) . . . . ?
B11 B7 B8 B12 37.8(8) . . . . ?
B11 B7 B12 B8 -138.4(7) . . . . ?
B11 B7 B12 B9 -101.2(9) . . . . ?
B11 B7 B12 B10 -36.7(7) . . . . ?
B11 B10 B12 B7 35.9(7) . . . . ?
B11 B10 B12 B8 99.9(9) . . . . ?
B11 B10 B12 B9 136.5(8) . . . . ?
B12 B7 B8 B3 -138.6(8) . . . . ?
B12 B7 B8 B4 -100.0(9) . . . . ?
B12 B7 B8 B9 -36.2(7) . . . . ?
B12 B7 B11 C2 132.4(8) . . . . ?
B12 B7 B11 B6 98.6(9) . . . . ?
B12 B7 B11 B10 35.0(7) . . . . ?
B12 B8 B9 B4 -138.8(8) . . . . ?
B12 B8 B9 B5 -101.7(8) . . . . ?
B12 B8 B9 B10 -37.0(7) . . . . ?
B12 B9 B10 B5 -138.0(9) . . . . ?
B12 B9 B10 B6 -100.9(10) . . . . ?
B12 B9 B10 B11 -38.7(7) . . . . ?
B12 B10 B11 C2 -97.3(9) . . . . ?
B12 B10 B11 B6 -138.7(8) . . . . ?
B12 B10 B11 B7 -35.6(7) . . . . ?
B13 B14 B15 B16 -0.3(10) . . . . ?
B13 B14 B15 B19 99.1(9) . . . . ?
B13 B14 B15 B20 62.6(9) . . . . ?
B13 B14 B15 C9 -35.2(6) . . . . ?
B13 B14 B18 B17 -36.4(8) . . . . ?
B13 B14 B18 B19 -137.9(9) . . . . ?
B13 B14 B18 B22 -99.9(11) . . . . ?
B13 B14 B19 B15 -101.4(8) . . . . ?
B13 B14 B19 B18 37.4(9) . . . . ?
B13 B14 B19 B20 -65.5(10) . . . . ?
B13 B14 B19 B22 -0.8(10) . . . . ?
B13 B14 C9 B15 140.6(8) . . . . ?
B13 B14 C9 B16 103.3(8) . . . . ?
B13 B14 C9 C5 -103.7(9) . . . . ?
B13 B14 C9 C10 38.7(7) . . . . ?
B13 B17 B18 B14 36.6(8) . . . . ?
B13 B17 B18 B19 100.7(9) . . . . ?
B13 B17 B18 B22 138.8(9) . . . . ?
B13 B17 B21 B16 0.1(13) . . . . ?
B13 B17 B21 B20 -62.8(11) . . . . ?
B13 B17 B21 B22 -99.6(11) . . . . ?
B13 B17 B21 C10 33.7(9) . . . . ?
B13 B17 B22 B18 -36.9(9) . . . . ?
B13 B17 B22 B19 1.1(13) . . . . ?
B13 B17 B22 B20 65.4(12) . . . . ?
B13 B17 B22 B21 102.7(10) . . . . ?
B13 B17 C10 B16 -106.7(9) . . . . ?
B13 B17 C10 B21 -142.9(9) . . . . ?
B13 B17 C10 C9 -37.5(8) . . . . ?
B13 B18 B19 B14 -37.3(8) . . . . ?
B13 B18 B19 B15 -0.3(13) . . . . ?
B13 B18 B19 B20 63.5(11) . . . . ?
B13 B18 B19 B22 100.3(11) . . . . ?
B13 B18 B22 B17 36.3(9) . . . . ?
B13 B18 B22 B19 -101.1(10) . . . . ?
B13 B18 B22 B20 -64.6(12) . . . . ?
B13 B18 B22 B21 0.0(14) . . . . ?
B13 C9 C10 B16 144.9(7) . . . . ?
B13 C9 C10 B17 37.5(8) . . . . ?
B13 C9 C10 B21 106.7(10) . . . . ?
B14 B13 B17 B18 -37.7(9) . . . . ?
B14 B13 B17 B21 62.6(12) . . . . ?
B14 B13 B17 B22 -1.6(13) . . . . ?
B14 B13 B17 C10 95.5(8) . . . . ?
B14 B13 B18 B17 138.4(9) . . . . ?
B14 B13 B18 B19 38.0(9) . . . . ?
B14 B13 B18 B22 101.4(10) . . . . ?
B14 B13 C9 B15 -37.4(7) . . . . ?
B14 B13 C9 B16 -105.7(8) . . . . ?
B14 B13 C9 C5 114.3(8) . . . . ?
B14 B13 C9 C10 -138.0(7) . . . . ?
B14 B13 C10 B16 1.7(10) . . . . ?
B14 B13 C10 B17 -103.7(8) . . . . ?
B14 B13 C10 B21 -67.4(11) . . . . ?
B14 B13 C10 C9 36.2(6) . . . . ?
B14 B15 B16 B20 102.2(8) . . . . ?
B14 B15 B16 B21 62.3(9) . . . . ?
B14 B15 B16 C9 -34.6(6) . . . . ?
B14 B15 B16 C10 1.2(9) . . . . ?
B14 B15 B19 B18 -37.5(9) . . . . ?
B14 B15 B19 B20 -140.0(9) . . . . ?
B14 B15 B19 B22 -101.5(9) . . . . ?
B14 B15 B20 B16 -100.6(8) . . . . ?
B14 B15 B20 B19 36.5(8) . . . . ?
B14 B15 B20 B21 -63.0(10) . . . . ?
B14 B15 B20 B22 -0.4(10) . . . . ?
B14 B15 C9 B13 37.1(8) . . . . ?
B14 B15 C9 B16 141.2(8) . . . . ?
B14 B15 C9 C5 -111.6(9) . . . . ?
B14 B15 C9 C10 103.2(8) . . . . ?
B14 B18 B19 B15 37.0(8) . . . . ?
B14 B18 B19 B20 100.9(8) . . . . ?
B14 B18 B19 B22 137.6(9) . . . . ?
B14 B18 B22 B17 99.0(10) . . . . ?
B14 B18 B22 B19 -38.4(9) . . . . ?
B14 B18 B22 B20 -1.8(13) . . . . ?
B14 B18 B22 B21 62.7(13) . . . . ?
B14 B19 B20 B15 -35.9(8) . . . . ?
B14 B19 B20 B16 3.0(12) . . . . ?
B14 B19 B20 B21 64.3(10) . . . . ?
B14 B19 B20 B22 101.5(10) . . . . ?
B14 B19 B22 B17 -0.2(11) . . . . ?
B14 B19 B22 B18 38.4(8) . . . . ?
B14 B19 B22 B20 -101.4(8) . . . . ?
B14 B19 B22 B21 -63.3(10) . . . . ?
B14 C9 C10 B13 -38.8(7) . . . . ?
B14 C9 C10 B16 106.1(8) . . . . ?
B14 C9 C10 B17 -1.2(10) . . . . ?
B14 C9 C10 B21 67.9(11) . . . . ?
B15 B14 B18 B13 101.5(8) . . . . ?
B15 B14 B18 B17 65.1(10) . . . . ?
B15 B14 B18 B19 -36.4(8) . . . . ?
B15 B14 B18 B22 1.6(12) . . . . ?
B15 B14 B19 B18 138.7(9) . . . . ?
B15 B14 B19 B20 35.9(8) . . . . ?
B15 B14 B19 B22 100.6(9) . . . . ?
B15 B14 C9 B13 -140.6(8) . . . . ?
B15 B14 C9 B16 -37.3(8) . . . . ?
B15 B14 C9 C5 115.7(8) . . . . ?
B15 B14 C9 C10 -101.9(7) . . . . ?
B15 B16 B20 B19 -38.2(8) . . . . ?
B15 B16 B20 B21 -136.6(9) . . . . ?
B15 B16 B20 B22 -99.6(8) . . . . ?
B15 B16 B21 B17 -61.6(11) . . . . ?
B15 B16 B21 B20 38.8(7) . . . . ?
B15 B16 B21 B22 1.6(11) . . . . ?
B15 B16 B21 C10 -94.8(8) . . . . ?
B15 B16 C9 B13 104.6(8) . . . . ?
B15 B16 C9 B14 37.2(8) . . . . ?
B15 B16 C9 C5 -116.8(8) . . . . ?
B15 B16 C9 C10 137.6(8) . . . . ?
B15 B16 C10 B13 -1.8(10) . . . . ?
B15 B16 C10 B17 67.1(11) . . . . ?
B15 B16 C10 B21 103.9(8) . . . . ?
B15 B16 C10 C9 -35.8(6) . . . . ?
B15 B19 B20 B16 38.9(8) . . . . ?
B15 B19 B20 B21 100.2(8) . . . . ?
B15 B19 B20 B22 137.4(8) . . . . ?
B15 B19 B22 B17 63.2(11) . . . . ?
B15 B19 B22 B18 101.9(9) . . . . ?
B15 B19 B22 B20 -38.0(7) . . . . ?
B15 B19 B22 B21 0.1(11) . . . . ?
B15 B20 B21 B16 -39.0(8) . . . . ?
B15 B20 B21 B17 62.2(10) . . . . ?
B15 B20 B21 B22 99.1(8) . . . . ?
B15 B20 B21 C10 1.2(12) . . . . ?
B15 B20 B22 B17 -63.5(11) . . . . ?
B15 B20 B22 B18 1.4(11) . . . . ?
B15 B20 B22 B19 37.4(7) . . . . ?
B15 B20 B22 B21 -100.4(8) . . . . ?
B15 C9 C10 B13 -105.5(7) . . . . ?
B15 C9 C10 B16 39.4(7) . . . . ?
B15 C9 C10 B17 -67.9(9) . . . . ?
B15 C9 C10 B21 1.2(11) . . . . ?
B16 B15 B19 B14 102.3(8) . . . . ?
B16 B15 B19 B18 64.8(10) . . . . ?
B16 B15 B19 B20 -37.6(7) . . . . ?
B16 B15 B19 B22 0.9(10) . . . . ?
B16 B15 B20 B19 137.1(9) . . . . ?
B16 B15 B20 B21 37.6(8) . . . . ?
B16 B15 B20 B22 100.2(9) . . . . ?
B16 B15 C9 B13 -104.1(8) . . . . ?
B16 B15 C9 B14 -141.2(8) . . . . ?
B16 B15 C9 C5 107.2(9) . . . . ?
B16 B15 C9 C10 -38.1(7) . . . . ?
B16 B20 B21 B17 101.1(8) . . . . ?
B16 B20 B21 B22 138.1(8) . . . . ?
B16 B20 B21 C10 40.2(8) . . . . ?
B16 B20 B22 B17 0.5(11) . . . . ?
B16 B20 B22 B18 65.4(11) . . . . ?
B16 B20 B22 B19 101.5(8) . . . . ?
B16 B20 B22 B21 -36.4(7) . . . . ?
B16 B21 B22 B17 -101.5(9) . . . . ?
B16 B21 B22 B18 -64.6(12) . . . . ?
B16 B21 B22 B19 -1.1(12) . . . . ?
B16 B21 B22 B20 37.1(8) . . . . ?
B16 B21 C10 B13 106.7(9) . . . . ?
B16 B21 C10 B17 142.4(10) . . . . ?
B16 B21 C10 C9 38.7(8) . . . . ?
B16 C9 C10 B13 -144.9(7) . . . . ?
B16 C9 C10 B17 -107.3(9) . . . . ?
B16 C9 C10 B21 -38.2(9) . . . . ?
B17 B13 B14 B15 -61.3(10) . . . . ?
B17 B13 B14 B18 37.9(9) . . . . ?
B17 B13 B14 B19 1.5(11) . . . . ?
B17 B13 B14 C9 -96.0(9) . . . . ?
B17 B13 B18 B14 -138.4(9) . . . . ?
B17 B13 B18 B19 -100.3(10) . . . . ?
B17 B13 B18 B22 -36.9(9) . . . . ?
B17 B13 C9 B14 103.7(9) . . . . ?
B17 B13 C9 B15 66.3(11) . . . . ?
B17 B13 C9 B16 -1.9(11) . . . . ?
B17 B13 C9 C5 -141.9(8) . . . . ?
B17 B13 C9 C10 -34.3(8) . . . . ?
B17 B13 C10 B16 105.4(9) . . . . ?
B17 B13 C10 B21 36.4(10) . . . . ?
B17 B13 C10 C9 140.0(8) . . . . ?
B17 B18 B19 B14 -99.4(8) . . . . ?
B17 B18 B19 B15 -62.4(10) . . . . ?
B17 B18 B19 B20 1.4(10) . . . . ?
B17 B18 B19 B22 38.2(8) . . . . ?
B17 B18 B22 B19 -137.3(9) . . . . ?
B17 B18 B22 B20 -100.8(9) . . . . ?
B17 B18 B22 B21 -36.3(9) . . . . ?
B17 B21 B22 B18 36.9(10) . . . . ?
B17 B21 B22 B19 100.4(9) . . . . ?
B17 B21 B22 B20 138.6(9) . . . . ?
B17 B21 C10 B13 -35.7(10) . . . . ?
B17 B21 C10 B16 -142.4(10) . . . . ?
B17 B21 C10 C9 -103.7(10) . . . . ?
B18 B13 B14 B15 -99.2(8) . . . . ?
B18 B13 B14 B19 -36.5(8) . . . . ?
B18 B13 B14 C9 -133.9(8) . . . . ?
B18 B13 B17 B21 100.3(10) . . . . ?
B18 B13 B17 B22 36.1(9) . . . . ?
B18 B13 B17 C10 133.2(9) . . . . ?
B18 B13 C9 B14 40.5(8) . . . . ?
B18 B13 C9 B15 3.0(11) . . . . ?
B18 B13 C9 B16 -65.2(11) . . . . ?
B18 B13 C9 C5 154.8(9) . . . . ?
B18 B13 C9 C10 -97.5(9) . . . . ?
B18 B13 C10 B16 64.3(11) . . . . ?
B18 B13 C10 B17 -41.1(9) . . . . ?
B18 B13 C10 B21 -4.7(13) . . . . ?
B18 B13 C10 C9 98.9(9) . . . . ?
B18 B14 B15 B16 -63.6(10) . . . . ?
B18 B14 B15 B19 35.8(8) . . . . ?
B18 B14 B15 B20 -0.7(10) . . . . ?
B18 B14 B15 C9 -98.5(9) . . . . ?
B18 B14 B19 B15 -138.7(9) . . . . ?
B18 B14 B19 B20 -102.8(10) . . . . ?
B18 B14 B19 B22 -38.1(9) . . . . ?
B18 B14 C9 B13 -40.5(8) . . . . ?
B18 B14 C9 B15 100.1(8) . . . . ?
B18 B14 C9 B16 62.8(10) . . . . ?
B18 B14 C9 C5 -144.2(8) . . . . ?
B18 B14 C9 C10 -1.8(10) . . . . ?
B18 B17 B21 B16 64.2(10) . . . . ?
B18 B17 B21 B20 1.2(11) . . . . ?
B18 B17 B21 B22 -35.6(8) . . . . ?
B18 B17 B21 C10 97.8(9) . . . . ?
B18 B17 B22 B19 38.0(8) . . . . ?
B18 B17 B22 B20 102.3(9) . . . . ?
B18 B17 B22 B21 139.6(9) . . . . ?
B18 B17 C10 B13 41.2(9) . . . . ?
B18 B17 C10 B16 -65.6(11) . . . . ?
B18 B17 C10 B21 -101.8(10) . . . . ?
B18 B17 C10 C9 3.7(11) . . . . ?
B18 B19 B20 B15 -100.9(8) . . . . ?
B18 B19 B20 B16 -62.0(11) . . . . ?
B18 B19 B20 B21 -0.7(10) . . . . ?
B18 B19 B20 B22 36.5(7) . . . . ?
B18 B19 B22 B17 -38.6(9) . . . . ?
B18 B19 B22 B20 -139.9(8) . . . . ?
B18 B19 B22 B21 -101.7(9) . . . . ?
B19 B14 B15 B16 -99.4(8) . . . . ?
B19 B14 B15 B20 -36.5(8) . . . . ?
B19 B14 B15 C9 -134.3(8) . . . . ?
B19 B14 B18 B13 137.9(9) . . . . ?
B19 B14 B18 B17 101.5(9) . . . . ?
B19 B14 B18 B22 38.0(8) . . . . ?
B19 B14 C9 B13 -100.9(9) . . . . ?
B19 B14 C9 B15 39.7(8) . . . . ?
B19 B14 C9 B16 2.4(11) . . . . ?
B19 B14 C9 C5 155.3(8) . . . . ?
B19 B14 C9 C10 -62.2(10) . . . . ?
B19 B15 B16 B20 38.3(7) . . . . ?
B19 B15 B16 B21 -1.6(10) . . . . ?
B19 B15 B16 C9 -98.5(7) . . . . ?
B19 B15 B16 C10 -62.7(9) . . . . ?
B19 B15 B20 B16 -137.1(9) . . . . ?
B19 B15 B20 B21 -99.4(9) . . . . ?
B19 B15 B20 B22 -36.9(8) . . . . ?
B19 B15 C9 B13 -3.2(10) . . . . ?
B19 B15 C9 B14 -40.3(7) . . . . ?
B19 B15 C9 B16 100.9(8) . . . . ?
B19 B15 C9 C5 -151.8(7) . . . . ?
B19 B15 C9 C10 62.9(9) . . . . ?
B19 B18 B22 B17 137.3(9) . . . . ?
B19 B18 B22 B20 36.5(8) . . . . ?
B19 B18 B22 B21 101.1(10) . . . . ?
B19 B20 B21 B16 -101.5(8) . . . . ?
B19 B20 B21 B17 -0.4(10) . . . . ?
B19 B20 B21 B22 36.6(7) . . . . ?
B19 B20 B21 C10 -61.3(11) . . . . ?
B19 B20 B22 B17 -101.0(10) . . . . ?
B19 B20 B22 B18 -36.1(9) . . . . ?
B19 B20 B22 B21 -137.8(8) . . . . ?
B20 B15 B16 B21 -39.9(8) . . . . ?
B20 B15 B16 C9 -136.8(8) . . . . ?
B20 B15 B16 C10 -101.0(8) . . . . ?
B20 B15 B19 B14 140.0(9) . . . . ?
B20 B15 B19 B18 102.5(10) . . . . ?
B20 B15 B19 B22 38.5(7) . . . . ?
B20 B15 C9 B13 -66.4(9) . . . . ?
B20 B15 C9 B14 -103.5(8) . . . . ?
B20 B15 C9 B16 37.7(7) . . . . ?
B20 B15 C9 C5 145.0(7) . . . . ?
B20 B15 C9 C10 -0.3(9) . . . . ?
B20 B16 B21 B17 -100.4(10) . . . . ?
B20 B16 B21 B22 -37.2(7) . . . . ?
B20 B16 B21 C10 -133.6(9) . . . . ?
B20 B16 C9 B13 66.8(10) . . . . ?
B20 B16 C9 B14 -0.6(11) . . . . ?
B20 B16 C9 B15 -37.8(7) . . . . ?
B20 B16 C9 C5 -154.6(8) . . . . ?
B20 B16 C9 C10 99.8(9) . . . . ?
B20 B16 C10 B13 -63.8(9) . . . . ?
B20 B16 C10 B17 5.0(12) . . . . ?
B20 B16 C10 B21 41.8(8) . . . . ?
B20 B16 C10 C9 -97.8(7) . . . . ?
B20 B19 B22 B17 101.2(10) . . . . ?
B20 B19 B22 B18 139.9(8) . . . . ?
B20 B19 B22 B21 38.1(8) . . . . ?
B20 B21 B22 B17 -138.6(9) . . . . ?
B20 B21 B22 B18 -101.7(10) . . . . ?
B20 B21 B22 B19 -38.2(8) . . . . ?
B20 B21 C10 B13 66.5(12) . . . . ?
B20 B21 C10 B16 -40.2(8) . . . . ?
B20 B21 C10 B17 102.2(10) . . . . ?
B20 B21 C10 C9 -1.5(12) . . . . ?
B21 B16 B20 B15 136.6(9) . . . . ?
B21 B16 B20 B19 98.4(10) . . . . ?
B21 B16 B20 B22 37.0(8) . . . . ?
B21 B16 C9 B13 2.0(10) . . . . ?
B21 B16 C9 B14 -65.3(10) . . . . ?
B21 B16 C9 B15 -102.5(8) . . . . ?
B21 B16 C9 C5 140.7(8) . . . . ?
B21 B16 C9 C10 35.0(7) . . . . ?
B21 B16 C10 B13 -105.6(9) . . . . ?
B21 B16 C10 B17 -36.8(10) . . . . ?
B21 B16 C10 C9 -139.7(8) . . . . ?
B21 B17 B18 B13 -102.3(9) . . . . ?
B21 B17 B18 B14 -65.7(10) . . . . ?
B21 B17 B18 B19 -1.6(11) . . . . ?
B21 B17 B18 B22 36.4(8) . . . . ?
B21 B17 B22 B18 -139.6(9) . . . . ?
B21 B17 B22 B19 -101.6(10) . . . . ?
B21 B17 B22 B20 -37.3(9) . . . . ?
B21 B17 C10 B13 142.9(9) . . . . ?
B21 B17 C10 B16 36.2(9) . . . . ?
B21 B17 C10 C9 105.4(9) . . . . ?
B21 B20 B22 B17 36.9(9) . . . . ?
B21 B20 B22 B18 101.8(10) . . . . ?
B21 B20 B22 B19 137.8(8) . . . . ?
B22 B17 B18 B13 -138.8(9) . . . . ?
B22 B17 B18 B14 -102.1(9) . . . . ?
B22 B17 B18 B19 -38.1(8) . . . . ?
B22 B17 B21 B16 99.8(9) . . . . ?
B22 B17 B21 B20 36.8(8) . . . . ?
B22 B17 B21 C10 133.4(9) . . . . ?
B22 B17 C10 B13 102.1(11) . . . . ?
B22 B17 C10 B16 -4.6(13) . . . . ?
B22 B17 C10 B21 -40.8(9) . . . . ?
B22 B17 C10 C9 64.6(11) . . . . ?
B22 B18 B19 B14 -137.6(9) . . . . ?
B22 B18 B19 B15 -100.6(8) . . . . ?
B22 B18 B19 B20 -36.8(8) . . . . ?
B22 B19 B20 B15 -137.4(8) . . . . ?
B22 B19 B20 B16 -98.5(9) . . . . ?
B22 B19 B20 B21 -37.2(7) . . . . ?
B22 B20 B21 B16 -138.1(8) . . . . ?
B22 B20 B21 B17 -36.9(8) . . . . ?
B22 B20 B21 C10 -97.9(10) . . . . ?
B22 B21 C10 B13 4.7(13) . . . . ?
B22 B21 C10 B16 -102.0(10) . . . . ?
B22 B21 C10 B17 40.4(9) . . . . ?
B22 B21 C10 C9 -63.3(12) . . . . ?
C17 C18 C19 N1 174.9(7) . . . . ?
C17 C18 C19 C14 -3.6(12) . . . . ?
C17 C16 C15 N2 -177.3(7) . . . . ?
C17 C16 C15 C14 0.2(12) . . . . ?
C17 N3 C6 C11 172.5(9) . . . . ?
C17 N3 C6 S3 -4(2) . . . . ?
C17 N3 C6' C11 -168.7(9) . . . . ?
C17 N3 C6' S3' 22(3) . . . . ?
C4 N1 C19 C18 120.7(8) . . . . ?
C4 N1 C19 C14 -60.8(11) . . . . ?
C4 C1 C2 B3 106.4(8) . . . . ?
C4 C1 C2 B6 -104.4(7) . . . . ?
C4 C1 C2 B7 146.5(8) . . . . ?
C4 C1 C2 B11 -144.0(7) . . . . ?
C4 C1 B3 C2 -107.8(8) . . . . ?
C4 C1 B3 B4 115.3(7) . . . . ?
C4 C1 B3 B7 -143.3(7) . . . . ?
C4 C1 B3 B8 155.4(7) . . . . ?
C4 C1 B4 B3 -104.8(8) . . . . ?
C4 C1 B4 B5 111.5(8) . . . . ?
C4 C1 B4 B8 -145.8(8) . . . . ?
C4 C1 B4 B9 152.6(7) . . . . ?
C4 C1 B5 B4 -113.6(8) . . . . ?
C4 C1 B5 B6 102.6(8) . . . . ?
C4 C1 B5 B9 -154.4(7) . . . . ?
C4 C1 B5 B10 144.5(7) . . . . ?
C4 C1 B6 C2 108.6(7) . . . . ?
C4 C1 B6 B5 -114.0(7) . . . . ?
C4 C1 B6 B10 -155.1(7) . . . . ?
C4 C1 B6 B11 142.5(7) . . . . ?
C5 N2 C15 C14 59.4(11) . . . . ?
C5 N2 C15 C16 -123.0(9) . . . . ?
C5 C9 C10 B13 106.0(8) . . . . ?
C5 C9 C10 B16 -109.1(7) . . . . ?
C5 C9 C10 B17 143.5(8) . . . . ?
C5 C9 C10 B21 -147.3(9) . . . . ?
C19 N1 C4 S1 1.6(11) . . . . ?
C19 N1 C4 C1 179.9(7) . . . . ?
C19 C18 C17 C16 3.2(12) . . . . ?
C19 C18 C17 N3 176.8(7) . . . . ?
C19 C14 C15 N2 176.9(7) . . . . ?
C19 C14 C15 C16 -0.6(12) . . . . ?
C15 N2 C5 S2 -4.1(12) . . . . ?
C15 N2 C5 C9 176.2(7) . . . . ?
C15 C14 C19 N1 -176.1(7) . . . . ?
C15 C14 C19 C18 2.4(12) . . . . ?
C15 C16 C17 C18 -1.5(12) . . . . ?
C15 C16 C17 N3 -174.8(7) . . . . ?
C9 B13 B14 B15 34.7(6) . . . . ?
C9 B13 B14 B18 133.9(8) . . . . ?
C9 B13 B14 B19 97.5(7) . . . . ?
C9 B13 B17 B18 -99.3(9) . . . . ?
C9 B13 B17 B21 1.1(12) . . . . ?
C9 B13 B17 B22 -63.1(12) . . . . ?
C9 B13 B17 C10 33.9(7) . . . . ?
C9 B13 B18 B14 -39.6(7) . . . . ?
C9 B13 B18 B17 98.8(10) . . . . ?
C9 B13 B18 B19 -1.6(13) . . . . ?
C9 B13 B18 B22 61.8(12) . . . . ?
C9 B13 C10 B16 -34.6(7) . . . . ?
C9 B13 C10 B17 -140.0(8) . . . . ?
C9 B13 C10 B21 -103.6(9) . . . . ?
C9 B14 B15 B16 34.9(7) . . . . ?
C9 B14 B15 B19 134.3(8) . . . . ?
C9 B14 B15 B20 97.8(7) . . . . ?
C9 B14 B18 B13 40.3(7) . . . . ?
C9 B14 B18 B17 3.9(11) . . . . ?
C9 B14 B18 B19 -97.6(8) . . . . ?
C9 B14 B18 B22 -59.7(11) . . . . ?
C9 B14 B19 B15 -39.1(7) . . . . ?
C9 B14 B19 B18 99.6(10) . . . . ?
C9 B14 B19 B20 -3.2(11) . . . . ?
C9 B14 B19 B22 61.5(10) . . . . ?
C9 B15 B16 B20 136.8(8) . . . . ?
C9 B15 B16 B21 96.9(8) . . . . ?
C9 B15 B16 C10 35.8(6) . . . . ?
C9 B15 B19 B14 39.6(7) . . . . ?
C9 B15 B19 B18 2.1(11) . . . . ?
C9 B15 B19 B20 -100.4(8) . . . . ?
C9 B15 B19 B22 -61.9(9) . . . . ?
C9 B15 B20 B16 -38.2(7) . . . . ?
C9 B15 B20 B19 98.9(8) . . . . ?
C9 B15 B20 B21 -0.6(10) . . . . ?
C9 B15 B20 B22 62.0(9) . . . . ?
C9 B16 B20 B15 36.7(7) . . . . ?
C9 B16 B20 B19 -1.5(11) . . . . ?
C9 B16 B20 B21 -99.9(9) . . . . ?
C9 B16 B20 B22 -62.9(10) . . . . ?
C9 B16 B21 B17 -1.3(11) . . . . ?
C9 B16 B21 B20 99.1(8) . . . . ?
C9 B16 B21 B22 62.0(10) . . . . ?
C9 B16 B21 C10 -34.5(7) . . . . ?
C9 B16 C10 B13 34.0(7) . . . . ?
C9 B16 C10 B17 102.9(10) . . . . ?
C9 B16 C10 B21 139.7(8) . . . . ?
C10 B13 B14 B15 -0.8(9) . . . . ?
C10 B13 B14 B18 98.5(8) . . . . ?
C10 B13 B14 B19 62.0(8) . . . . ?
C10 B13 B14 C9 -35.5(6) . . . . ?
C10 B13 B17 B18 -133.2(9) . . . . ?
C10 B13 B17 B21 -32.9(9) . . . . ?
C10 B13 B17 B22 -97.1(10) . . . . ?
C10 B13 B18 B14 -98.8(8) . . . . ?
C10 B13 B18 B17 39.6(9) . . . . ?
C10 B13 B18 B19 -60.8(12) . . . . ?
C10 B13 B18 B22 2.6(12) . . . . ?
C10 B13 C9 B14 138.0(7) . . . . ?
C10 B13 C9 B15 100.6(7) . . . . ?
C10 B13 C9 B16 32.4(7) . . . . ?
C10 B13 C9 C5 -107.7(8) . . . . ?
C10 B16 B20 B15 96.5(8) . . . . ?
C10 B16 B20 B19 58.3(10) . . . . ?
C10 B16 B20 B21 -40.1(8) . . . . ?
C10 B16 B20 B22 -3.1(10) . . . . ?
C10 B16 B21 B17 33.2(9) . . . . ?
C10 B16 B21 B20 133.6(9) . . . . ?
C10 B16 B21 B22 96.4(10) . . . . ?
C10 B16 C9 B13 -33.0(8) . . . . ?
C10 B16 C9 B14 -100.3(8) . . . . ?
C10 B16 C9 B15 -137.6(8) . . . . ?
C10 B16 C9 C5 105.6(8) . . . . ?
C10 B17 B18 B13 -41.2(8) . . . . ?
C10 B17 B18 B14 -4.6(11) . . . . ?
C10 B17 B18 B19 59.5(10) . . . . ?
C10 B17 B18 B22 97.6(9) . . . . ?
C10 B17 B21 B16 -33.6(8) . . . . ?
C10 B17 B21 B20 -96.6(9) . . . . ?
C10 B17 B21 B22 -133.4(9) . . . . ?
C10 B17 B22 B18 -99.9(10) . . . . ?
C10 B17 B22 B19 -61.9(12) . . . . ?
C10 B17 B22 B20 2.3(13) . . . . ?
C10 B17 B22 B21 39.7(9) . . . . ?
C10 B21 B22 B17 -39.6(9) . . . . ?
C10 B21 B22 B18 -2.7(13) . . . . ?
C10 B21 B22 B19 60.8(12) . . . . ?
C10 B21 B22 B20 99.0(9) . . . . ?
C11 C12 B23 B24 36.8(8) . . . . ?
C11 C12 B23 B27 137.6(10) . . . . ?
C11 C12 B23 B28 98.6(12) . . . . ?
C11 C12 B26 B25 -36.4(10) . . . . ?
C11 C12 B26 B30 -96.3(13) . . . . ?
C11 C12 B26 B31 -137.1(12) . . . . ?
C11 C12 B27 B23 -39.0(9) . . . . ?
C11 C12 B27 B28 0.8(13) . . . . ?
C11 C12 B27 B31 102.2(11) . . . . ?
C11 C12 B27 B32 63.3(12) . . . . ?
C11 C12 B31 B26 39.2(11) . . . . ?
C11 C12 B31 B27 -102.9(11) . . . . ?
C11 C12 B31 B30 -3.0(14) . . . . ?
C11 C12 B31 B32 -62.9(14) . . . . ?
C11 C12 B23' B24' 34.9(12) . . . . ?
C11 C12 B23' B27' 133.4(12) . . . . ?
C11 C12 B23' B28' 98.0(15) . . . . ?
C11 C12 B26' B25' -38.0(11) . . . . ?
C11 C12 B26' B30' -100.7(18) . . . . ?
C11 C12 B26' B31' -135.3(13) . . . . ?
C11 C12 B27' B23' -39.1(11) . . . . ?
C11 C12 B27' B28' -2.6(12) . . . . ?
C11 C12 B27' B31' 96.7(10) . . . . ?
C11 C12 B27' B32' 61.3(12) . . . . ?
C11 C12 B31' B26' 36.1(13) . . . . ?
C11 C12 B31' B27' -98.1(10) . . . . ?
C11 C12 B31' B30' 0.2(14) . . . . ?
C11 C12 B31' B32' -63.2(14) . . . . ?
C11 B23 B24 B25 34.5(13) . . . . ?
C11 B23 B24 B28 137.9(14) . . . . ?
C11 B23 B24 B29 102.9(13) . . . . ?
C11 B23 B27 C12 36.5(9) . . . . ?
C11 B23 B27 B28 -98.7(13) . . . . ?
C11 B23 B27 B31 2.3(15) . . . . ?
C11 B23 B27 B32 -59.6(14) . . . . ?
C11 B23 B28 B24 -35.5(12) . . . . ?
C11 B23 B28 B27 99.4(16) . . . . ?
C11 B23 B28 B29 -2(2) . . . . ?
C11 B23 B28 B32 60.3(17) . . . . ?
C11 B24 B25 B26 35.5(11) . . . . ?
C11 B24 B25 B29 137.6(13) . . . . ?
C11 B24 B25 B30 98.3(14) . . . . ?
C11 B24 B28 B23 38.9(13) . . . . ?
C11 B24 B28 B27 -0.6(15) . . . . ?
C11 B24 B28 B29 -103.4(14) . . . . ?
C11 B24 B28 B32 -63.2(13) . . . . ?
C11 B24 B29 B25 -39.4(13) . . . . ?
C11 B24 B29 B28 101.9(14) . . . . ?
C11 B24 B29 B30 0.1(15) . . . . ?
C11 B24 B29 B32 60.3(16) . . . . ?
C11 B25 B26 C12 37.5(10) . . . . ?
C11 B25 B26 B30 135.9(16) . . . . ?
C11 B25 B26 B31 99.2(13) . . . . ?
C11 B25 B29 B24 37.5(12) . . . . ?
C11 B25 B29 B28 3(2) . . . . ?
C11 B25 B29 B30 -97.5(17) . . . . ?
C11 B25 B29 B32 -60.8(19) . . . . ?
C11 B25 B30 B26 -37.8(13) . . . . ?
C11 B25 B30 B29 102.0(16) . . . . ?
C11 B25 B30 B31 -1(2) . . . . ?
C11 B25 B30 B32 63.6(19) . . . . ?
C11 B26 B30 B25 36.6(14) . . . . ?
C11 B26 B30 B29 0.0(16) . . . . ?
C11 B26 B30 B31 -101.6(13) . . . . ?
C11 B26 B30 B32 -65.0(16) . . . . ?
C11 B26 B31 C12 -37.4(10) . . . . ?
C11 B26 B31 B27 -3.8(17) . . . . ?
C11 B26 B31 B30 95.3(15) . . . . ?
C11 B26 B31 B32 60.2(16) . . . . ?
C11 B23' B24' B25' 34.5(14) . . . . ?
C11 B23' B24' B28' 133.8(16) . . . . ?
C11 B23' B24' B29' 98.7(19) . . . . ?
C11 B23' B27' C12 39.2(11) . . . . ?
C11 B23' B27' B28' -101.4(17) . . . . ?
C11 B23' B27' B31' -0.6(19) . . . . ?
C11 B23' B27' B32' -65.5(17) . . . . ?
C11 B23' B28' B24' -41.2(15) . . . . ?
C11 B23' B28' B27' 95.7(14) . . . . ?
C11 B23' B28' B29' -5.3(17) . . . . ?
C11 B23' B28' B32' 59.5(17) . . . . ?
C11 B24' B25' B26' 29.1(14) . . . . ?
C11 B24' B25' B29' 133.8(15) . . . . ?
C11 B24' B25' B30' 95.5(17) . . . . ?
C11 B24' B28' B23' 38.0(13) . . . . ?
C11 B24' B28' B27' 0.2(19) . . . . ?
C11 B24' B28' B29' -102.1(18) . . . . ?
C11 B24' B28' B32' -63.0(17) . . . . ?
C11 B24' B29' B25' -41.4(15) . . . . ?
C11 B24' B29' B28' 95.1(16) . . . . ?
C11 B24' B29' B30' -6(2) . . . . ?
C11 B24' B29' B32' 56(2) . . . . ?
C11 B25' B26' C12 38.0(10) . . . . ?
C11 B25' B26' B30' 139.6(16) . . . . ?
C11 B25' B26' B31' 100.8(13) . . . . ?
C11 B25' B29' B24' 45.8(16) . . . . ?
C11 B25' B29' B28' 7.3(18) . . . . ?
C11 B25' B29' B30' -94.2(16) . . . . ?
C11 B25' B29' B32' -55.0(19) . . . . ?
C11 B25' B30' B26' -32.8(14) . . . . ?
C11 B25' B30' B29' 109(2) . . . . ?
C11 B25' B30' B31' 6(2) . . . . ?
C11 B25' B30' B32' 69.7(19) . . . . ?
C11 B26' B30' B25' 36.4(15) . . . . ?
C11 B26' B30' B29' 3.6(17) . . . . ?
C11 B26' B30' B31' -98.9(13) . . . . ?
C11 B26' B30' B32' -60.2(15) . . . . ?
C11 B26' B31' C12 -39.7(10) . . . . ?
C11 B26' B31' B27' 0.7(17) . . . . ?
C11 B26' B31' B30' 101.7(18) . . . . ?
C11 B26' B31' B32' 64.1(15) . . . . ?
C12 C11 C6 N3 40.1(19) . . . . ?
C12 C11 C6 S3 -144.0(11) . . . . ?
C12 C11 B23 B24 -135.7(11) . . . . ?
C12 C11 B23 B27 -36.9(10) . . . . ?
C12 C11 B23 B28 -98.8(16) . . . . ?
C12 C11 B24 B23 39.7(12) . . . . ?
C12 C11 B24 B25 -104.1(12) . . . . ?
C12 C11 B24 B28 1.1(14) . . . . ?
C12 C11 B24 B29 -64.3(13) . . . . ?
C12 C11 B25 B24 99.2(11) . . . . ?
C12 C11 B25 B26 -39.8(11) . . . . ?
C12 C11 B25 B29 61.0(17) . . . . ?
C12 C11 B25 B30 -1.1(19) . . . . ?
C12 C11 B26 B25 136.4(13) . . . . ?
C12 C11 B26 B30 99.2(12) . . . . ?
C12 C11 B26 B31 37.7(10) . . . . ?
C12 C11 C6' N3 -36(2) . . . . ?
C12 C11 C6' S3' 133.2(13) . . . . ?
C12 C11 B23' B24' -142.0(14) . . . . ?
C12 C11 B23' B27' -39.6(11) . . . . ?
C12 C11 B23' B28' -101.7(11) . . . . ?
C12 C11 B24' B23' 38.0(13) . . . . ?
C12 C11 B24' B25' -104.0(12) . . . . ?
C12 C11 B24' B28' -2.0(19) . . . . ?
C12 C11 B24' B29' -62.8(17) . . . . ?
C12 C11 B25' B24' 103.8(14) . . . . ?
C12 C11 B25' B26' -42.3(13) . . . . ?
C12 C11 B25' B29' 58.2(19) . . . . ?
C12 C11 B25' B30' -7(2) . . . . ?
C12 C11 B26' B25' 137.8(13) . . . . ?
C12 C11 B26' B30' 102.0(11) . . . . ?
C12 C11 B26' B31' 39.5(10) . . . . ?
C12 B23 B24 C11 -37.5(8) . . . . ?
C12 B23 B24 B25 -2.9(17) . . . . ?
C12 B23 B24 B28 100.5(15) . . . . ?
C12 B23 B24 B29 65.4(14) . . . . ?
C12 B23 B27 B28 -135.2(13) . . . . ?
C12 B23 B27 B31 -34.2(10) . . . . ?
C12 B23 B27 B32 -96.1(12) . . . . ?
C12 B23 B28 B24 -96.0(13) . . . . ?
C12 B23 B28 B27 38.9(12) . . . . ?
C12 B23 B28 B29 -62.6(16) . . . . ?
C12 B23 B28 B32 -0.2(16) . . . . ?
C12 B26 B30 B25 97.4(15) . . . . ?
C12 B26 B30 B29 60.8(16) . . . . ?
C12 B26 B30 B31 -40.7(11) . . . . ?
C12 B26 B30 B32 -4.2(18) . . . . ?
C12 B26 B31 B27 33.6(11) . . . . ?
C12 B26 B31 B30 132.8(14) . . . . ?
C12 B26 B31 B32 97.6(12) . . . . ?
C12 B27 B28 B23 -39.2(11) . . . . ?
C12 B27 B28 B24 -0.2(14) . . . . ?
C12 B27 B28 B29 61.6(9) . . . . ?
C12 B27 B28 B32 96.9(12) . . . . ?
C12 B27 B31 B26 -33.6(12) . . . . ?
C12 B27 B31 B30 -98.6(10) . . . . ?
C12 B27 B31 B32 -134.5(14) . . . . ?
C12 B27 B32 B28 -101.1(12) . . . . ?
C12 B27 B32 B29 -65.2(16) . . . . ?
C12 B27 B32 B30 0.0(18) . . . . ?
C12 B27 B32 B31 38.8(11) . . . . ?
C12 B31 B32 B27 -39.4(12) . . . . ?
C12 B31 B32 B28 -3.4(18) . . . . ?
C12 B31 B32 B29 61.2(18) . . . . ?
C12 B31 B32 B30 98.8(13) . . . . ?
C12 B23' B24' C11 -33.6(12) . . . . ?
C12 B23' B24' B25' 1(2) . . . . ?
C12 B23' B24' B28' 100.3(14) . . . . ?
C12 B23' B24' B29' 65(2) . . . . ?
C12 B23' B27' B28' -140.6(14) . . . . ?
C12 B23' B27' B31' -39.8(11) . . . . ?
C12 B23' B27' B32' -104.7(12) . . . . ?
C12 B23' B28' B24' -102.1(17) . . . . ?
C12 B23' B28' B27' 34.8(11) . . . . ?
C12 B23' B28' B29' -66.1(15) . . . . ?
C12 B23' B28' B32' -1.4(19) . . . . ?
C12 B26' B30' B25' 100.6(19) . . . . ?
C12 B26' B30' B29' 67.7(18) . . . . ?
C12 B26' B30' B31' -34.8(13) . . . . ?
C12 B26' B30' B32' 4(2) . . . . ?
C12 B26' B31' B27' 40.4(11) . . . . ?
C12 B26' B31' B30' 141.4(16) . . . . ?
C12 B26' B31' B32' 103.8(12) . . . . ?
C12 B27' B28' B23' -36.9(13) . . . . ?
C12 B27' B28' B24' 1.5(18) . . . . ?
C12 B27' B28' B29' 64.7(9) . . . . ?
C12 B27' B28' B32' 102.7(13) . . . . ?
C12 B27' B31' B26' -40.3(11) . . . . ?
C12 B27' B31' B30' -104.9(10) . . . . ?
C12 B27' B31' B32' -141.9(14) . . . . ?
C12 B27' B32' B28' -102.8(12) . . . . ?
C12 B27' B32' B29' -65.9(17) . . . . ?
C12 B27' B32' B30' -2.2(15) . . . . ?
C12 B27' B32' B31' 35.2(11) . . . . ?
C12 B31' B32' B27' -34.9(12) . . . . ?
C12 B31' B32' B28' 2.9(19) . . . . ?
C12 B31' B32' B29' 65.3(17) . . . . ?
C12 B31' B32' B30' 102.9(13) . . . . ?
C6 C11 C12 B23 99.1(14) . . . . ?
C6 C11 C12 B26 -115.6(14) . . . . ?
C6 C11 C12 B27 138.1(12) . . . . ?
C6 C11 C12 B31 -155.0(12) . . . . ?
C6 C11 B23 C12 -115.2(11) . . . . ?
C6 C11 B23 B24 109.1(12) . . . . ?
C6 C11 B23 B27 -152.1(12) . . . . ?
C6 C11 B23 B28 146.0(14) . . . . ?
C6 C11 B24 B23 -102.1(14) . . . . ?
C6 C11 B24 B25 114.1(14) . . . . ?
C6 C11 B24 B28 -140.8(13) . . . . ?
C6 C11 B24 B29 153.9(12) . . . . ?
C6 C11 B25 B24 -103.4(15) . . . . ?
C6 C11 B25 B26 117.7(14) . . . . ?
C6 C11 B25 B29 -141.6(15) . . . . ?
C6 C11 B25 B30 156.3(15) . . . . ?
C6 C11 B26 C12 109.8(12) . . . . ?
C6 C11 B26 B25 -113.9(15) . . . . ?
C6 C11 B26 B30 -151.1(13) . . . . ?
C6 C11 B26 B31 147.4(13) . . . . ?
B23 C11 C12 B26 145.4(12) . . . . ?
B23 C11 C12 B27 39.1(10) . . . . ?
B23 C11 C12 B31 105.9(11) . . . . ?
B23 C11 C6 N3 108.1(16) . . . . ?
B23 C11 C6 S3 -75.9(17) . . . . ?
B23 C11 B24 B25 -143.8(16) . . . . ?
B23 C11 B24 B28 -38.6(13) . . . . ?
B23 C11 B24 B29 -104.0(14) . . . . ?
B23 C11 B25 B24 33.9(15) . . . . ?
B23 C11 B25 B26 -105.1(14) . . . . ?
B23 C11 B25 B29 -4(2) . . . . ?
B23 C11 B25 B30 -66(2) . . . . ?
B23 C11 B26 C12 -32.2(11) . . . . ?
B23 C11 B26 B25 104.2(13) . . . . ?
B23 C11 B26 B30 67.0(14) . . . . ?
B23 C11 B26 B31 5.5(16) . . . . ?
B23 C12 B26 C11 33.0(11) . . . . ?
B23 C12 B26 B25 -3.4(16) . . . . ?
B23 C12 B26 B30 -63.4(15) . . . . ?
B23 C12 B26 B31 -104.1(13) . . . . ?
B23 C12 B27 B28 39.9(11) . . . . ?
B23 C12 B27 B31 141.2(13) . . . . ?
B23 C12 B27 B32 102.3(14) . . . . ?
B23 C12 B31 B26 105.5(13) . . . . ?
B23 C12 B31 B27 -36.7(13) . . . . ?
B23 C12 B31 B30 63.3(15) . . . . ?
B23 C12 B31 B32 3.4(17) . . . . ?
B23 B24 B25 C11 -34.5(12) . . . . ?
B23 B24 B25 B26 1.0(19) . . . . ?
B23 B24 B25 B29 103.1(14) . . . . ?
B23 B24 B25 B30 63.8(17) . . . . ?
B23 B24 B28 B27 -39.4(13) . . . . ?
B23 B24 B28 B29 -142.3(16) . . . . ?
B23 B24 B28 B32 -102.1(15) . . . . ?
B23 B24 B29 B25 -106.1(15) . . . . ?
B23 B24 B29 B28 35.2(13) . . . . ?
B23 B24 B29 B30 -66.6(15) . . . . ?
B23 B24 B29 B32 -6.4(18) . . . . ?
B23 B27 B28 B24 39.1(12) . . . . ?
B23 B27 B28 B29 100.8(11) . . . . ?
B23 B27 B28 B32 136.1(14) . . . . ?
B23 B27 B31 C12 34.5(11) . . . . ?
B23 B27 B31 B26 0.9(17) . . . . ?
B23 B27 B31 B30 -64.1(11) . . . . ?
B23 B27 B31 B32 -100.1(14) . . . . ?
B23 B27 B32 B28 -39.3(12) . . . . ?
B23 B27 B32 B29 -3.4(18) . . . . ?
B23 B27 B32 B30 61.8(17) . . . . ?
B23 B27 B32 B31 100.6(12) . . . . ?
B23 B28 B29 B24 -33.5(14) . . . . ?
B23 B28 B29 B25 0(2) . . . . ?
B23 B28 B29 B30 63.5(14) . . . . ?
B23 B28 B29 B32 99.4(16) . . . . ?
B23 B28 B32 B27 38.8(12) . . . . ?
B23 B28 B32 B29 -101.5(12) . . . . ?
B23 B28 B32 B30 -63.6(16) . . . . ?
B23 B28 B32 B31 2.3(18) . . . . ?
B24 C11 C12 B23 -40.3(11) . . . . ?
B24 C11 C12 B26 105.1(12) . . . . ?
B24 C11 C12 B27 -1.2(12) . . . . ?
B24 C11 C12 B31 65.6(12) . . . . ?
B24 C11 C6 N3 176.3(13) . . . . ?
B24 C11 C6 S3 -8(2) . . . . ?
B24 C11 B23 C12 135.7(11) . . . . ?
B24 C11 B23 B27 98.8(12) . . . . ?
B24 C11 B23 B28 36.9(12) . . . . ?
B24 C11 B25 B26 -139.0(13) . . . . ?
B24 C11 B25 B29 -38.2(13) . . . . ?
B24 C11 B25 B30 -100.3(18) . . . . ?
B24 C11 B26 C12 -99.1(11) . . . . ?
B24 C11 B26 B25 37.3(13) . . . . ?
B24 C11 B26 B30 0.1(15) . . . . ?
B24 C11 B26 B31 -61.4(15) . . . . ?
B24 B23 B27 C12 95.7(12) . . . . ?
B24 B23 B27 B28 -39.5(12) . . . . ?
B24 B23 B27 B31 61.5(15) . . . . ?
B24 B23 B27 B32 -0.5(16) . . . . ?
B24 B23 B28 B27 134.9(15) . . . . ?
B24 B23 B28 B29 33.4(13) . . . . ?
B24 B23 B28 B32 95.8(14) . . . . ?
B24 B25 B26 C11 -36.1(11) . . . . ?
B24 B25 B26 C12 1.4(17) . . . . ?
B24 B25 B26 B30 99.9(18) . . . . ?
B24 B25 B26 B31 63.1(17) . . . . ?
B24 B25 B29 B28 -34.7(13) . . . . ?
B24 B25 B29 B30 -135.0(15) . . . . ?
B24 B25 B29 B32 -98.4(14) . . . . ?
B24 B25 B30 B26 -99.7(15) . . . . ?
B24 B25 B30 B29 40.1(13) . . . . ?
B24 B25 B30 B31 -62.7(19) . . . . ?
B24 B25 B30 B32 1.6(19) . . . . ?
B24 B28 B29 B25 33.1(13) . . . . ?
B24 B28 B29 B30 97.0(10) . . . . ?
B24 B28 B29 B32 132.9(14) . . . . ?
B24 B28 B32 B27 100.2(11) . . . . ?
B24 B28 B32 B29 -40.1(10) . . . . ?
B24 B28 B32 B30 -2.3(15) . . . . ?
B24 B28 B32 B31 63.7(15) . . . . ?
B24 B29 B30 B25 -37.5(12) . . . . ?
B24 B29 B30 B26 0.0(16) . . . . ?
B24 B29 B30 B31 63.0(9) . . . . ?
B24 B29 B30 B32 100.1(12) . . . . ?
B24 B29 B32 B27 5.9(18) . . . . ?
B24 B29 B32 B28 41.5(12) . . . . ?
B24 B29 B32 B30 -97.1(12) . . . . ?
B24 B29 B32 B31 -59.2(17) . . . . ?
B25 C11 C12 B23 -103.3(13) . . . . ?
B25 C11 C12 B26 42.1(14) . . . . ?
B25 C11 C12 B27 -64.2(14) . . . . ?
B25 C11 C12 B31 2.7(14) . . . . ?
B25 C11 C6 N3 -115.0(17) . . . . ?
B25 C11 C6 S3 61(2) . . . . ?
B25 C11 B23 C12 102.8(12) . . . . ?
B25 C11 B23 B24 -32.9(14) . . . . ?
B25 C11 B23 B27 65.9(16) . . . . ?
B25 C11 B23 B28 4(2) . . . . ?
B25 C11 B24 B23 143.8(16) . . . . ?
B25 C11 B24 B28 105.2(16) . . . . ?
B25 C11 B24 B29 39.8(13) . . . . ?
B25 C11 B26 C12 -136.4(13) . . . . ?
B25 C11 B26 B30 -37.2(14) . . . . ?
B25 C11 B26 B31 -98.7(16) . . . . ?
B25 B24 B28 B23 105.5(15) . . . . ?
B25 B24 B28 B27 66.0(15) . . . . ?
B25 B24 B28 B29 -36.8(14) . . . . ?
B25 B24 B28 B32 3.4(16) . . . . ?
B25 B24 B29 B28 141.3(15) . . . . ?
B25 B24 B29 B30 39.5(14) . . . . ?
B25 B24 B29 B32 99.7(16) . . . . ?
B25 B26 B30 B29 -36.6(14) . . . . ?
B25 B26 B30 B31 -138.1(17) . . . . ?
B25 B26 B30 B32 -101.6(19) . . . . ?
B25 B26 B31 C12 -96.7(14) . . . . ?
B25 B26 B31 B27 -63.1(17) . . . . ?
B25 B26 B31 B30 36.1(15) . . . . ?
B25 B26 B31 B32 0.9(18) . . . . ?
B25 B29 B30 B26 37.5(13) . . . . ?
B25 B29 B30 B31 100.4(11) . . . . ?
B25 B29 B30 B32 137.6(14) . . . . ?
B25 B29 B32 B27 65.1(18) . . . . ?
B25 B29 B32 B28 100.7(13) . . . . ?
B25 B29 B32 B30 -37.9(13) . . . . ?
B25 B29 B32 B31 0.0(19) . . . . ?
B25 B30 B31 C12 2(2) . . . . ?
B25 B30 B31 B26 -38.4(16) . . . . ?
B25 B30 B31 B27 63.9(16) . . . . ?
B25 B30 B31 B32 101(2) . . . . ?
B25 B30 B32 B27 -63.0(19) . . . . ?
B25 B30 B32 B28 0.5(18) . . . . ?
B25 B30 B32 B29 38.0(13) . . . . ?
B25 B30 B32 B31 -101.4(13) . . . . ?
B26 C11 C12 B23 -145.4(12) . . . . ?
B26 C11 C12 B27 -106.3(11) . . . . ?
B26 C11 C12 B31 -39.5(10) . . . . ?
B26 C11 C6 N3 -34(2) . . . . ?
B26 C11 C6 S3 142.2(14) . . . . ?
B26 C11 B23 C12 32.0(11) . . . . ?
B26 C11 B23 B24 -103.7(13) . . . . ?
B26 C11 B23 B27 -4.9(15) . . . . ?
B26 C11 B23 B28 -66.8(17) . . . . ?
B26 C11 B24 B23 103.9(14) . . . . ?
B26 C11 B24 B25 -39.9(14) . . . . ?
B26 C11 B24 B28 65.2(15) . . . . ?
B26 C11 B24 B29 -0.1(15) . . . . ?
B26 C11 B25 B24 139.0(13) . . . . ?
B26 C11 B25 B29 100.7(16) . . . . ?
B26 C11 B25 B30 38.6(15) . . . . ?
B26 C12 B23 C11 -32.9(11) . . . . ?
B26 C12 B23 B24 3.9(15) . . . . ?
B26 C12 B23 B27 104.8(12) . . . . ?
B26 C12 B23 B28 65.7(15) . . . . ?
B26 C12 B27 B23 -105.2(13) . . . . ?
B26 C12 B27 B28 -65.3(14) . . . . ?
B26 C12 B27 B31 36.0(12) . . . . ?
B26 C12 B27 B32 -2.9(16) . . . . ?
B26 C12 B31 B27 -142.2(14) . . . . ?
B26 C12 B31 B30 -42.2(13) . . . . ?
B26 C12 B31 B32 -102.1(16) . . . . ?
B26 B25 B29 B24 99.0(15) . . . . ?
B26 B25 B29 B28 64.3(18) . . . . ?
B26 B25 B29 B30 -36.1(14) . . . . ?
B26 B25 B29 B32 0.6(19) . . . . ?
B26 B25 B30 B29 139.8(15) . . . . ?
B26 B25 B30 B31 37.0(14) . . . . ?
B26 B25 B30 B32 101.3(16) . . . . ?
B26 B30 B31 C12 40.7(12) . . . . ?
B26 B30 B31 B27 102.3(11) . . . . ?
B26 B30 B31 B32 139.5(15) . . . . ?
B26 B30 B32 B27 3(2) . . . . ?
B26 B30 B32 B28 66.2(17) . . . . ?
B26 B30 B32 B29 103.7(14) . . . . ?
B26 B30 B32 B31 -35.7(13) . . . . ?
B26 B31 B32 B27 -101.1(12) . . . . ?
B26 B31 B32 B28 -65.2(16) . . . . ?
B26 B31 B32 B29 -0.6(18) . . . . ?
B26 B31 B32 B30 37.0(13) . . . . ?
B27 C12 B23 C11 -137.6(10) . . . . ?
B27 C12 B23 B24 -100.8(12) . . . . ?
B27 C12 B23 B28 -39.0(11) . . . . ?
B27 C12 B26 C11 100.7(11) . . . . ?
B27 C12 B26 B25 64.4(15) . . . . ?
B27 C12 B26 B30 4.4(17) . . . . ?
B27 C12 B26 B31 -36.3(12) . . . . ?
B27 C12 B31 B26 142.2(14) . . . . ?
B27 C12 B31 B30 100.0(15) . . . . ?
B27 C12 B31 B32 40.0(12) . . . . ?
B27 B23 B24 C11 -98.6(14) . . . . ?
B27 B23 B24 B25 -64.1(16) . . . . ?
B27 B23 B24 B28 39.3(12) . . . . ?
B27 B23 B24 B29 4.3(17) . . . . ?
B27 B23 B28 B24 -134.9(15) . . . . ?
B27 B23 B28 B29 -101.4(16) . . . . ?
B27 B23 B28 B32 -39.1(12) . . . . ?
B27 B28 B29 B24 -97.0(10) . . . . ?
B27 B28 B29 B25 -63.9(13) . . . . ?
B27 B28 B29 B30 0.0(2) . . . . ?
B27 B28 B29 B32 35.9(8) . . . . ?
B27 B28 B32 B29 -140.3(11) . . . . ?
B27 B28 B32 B30 -102.5(14) . . . . ?
B27 B28 B32 B31 -36.5(10) . . . . ?
B27 B31 B32 B28 35.9(11) . . . . ?
B27 B31 B32 B29 100.5(16) . . . . ?
B27 B31 B32 B30 138.1(12) . . . . ?
B28 B23 B24 C11 -137.9(14) . . . . ?
B28 B23 B24 B25 -103.4(16) . . . . ?
B28 B23 B24 B29 -35.0(13) . . . . ?
B28 B23 B27 C12 135.2(13) . . . . ?
B28 B23 B27 B31 101.0(15) . . . . ?
B28 B23 B27 B32 39.0(13) . . . . ?
B28 B24 B25 C11 -101.5(13) . . . . ?
B28 B24 B25 B26 -66.0(16) . . . . ?
B28 B24 B25 B29 36.1(12) . . . . ?
B28 B24 B25 B30 -3.2(18) . . . . ?
B28 B24 B29 B25 -141.3(15) . . . . ?
B28 B24 B29 B30 -101.8(14) . . . . ?
B28 B24 B29 B32 -41.6(14) . . . . ?
B28 B27 B31 C12 98.6(9) . . . . ?
B28 B27 B31 B26 65.0(13) . . . . ?
B28 B27 B31 B30 0.0(4) . . . . ?
B28 B27 B31 B32 -35.9(9) . . . . ?
B28 B27 B32 B29 35.9(10) . . . . ?
B28 B27 B32 B30 101.1(14) . . . . ?
B28 B27 B32 B31 139.9(11) . . . . ?
B28 B29 B30 B25 -100.4(11) . . . . ?
B28 B29 B30 B26 -63.0(12) . . . . ?
B28 B29 B30 B31 0.0(5) . . . . ?
B28 B29 B30 B32 37.1(9) . . . . ?
B28 B29 B32 B27 -35.5(10) . . . . ?
B28 B29 B32 B30 -138.6(10) . . . . ?
B28 B29 B32 B31 -100.7(12) . . . . ?
B29 B24 B25 C11 -137.6(13) . . . . ?
B29 B24 B25 B26 -102.1(16) . . . . ?
B29 B24 B25 B30 -39.3(13) . . . . ?
B29 B24 B28 B23 142.3(16) . . . . ?
B29 B24 B28 B27 102.9(14) . . . . ?
B29 B24 B28 B32 40.2(10) . . . . ?
B29 B25 B26 C11 -100.1(15) . . . . ?
B29 B25 B26 C12 -62.7(16) . . . . ?
B29 B25 B26 B30 35.8(15) . . . . ?
B29 B25 B26 B31 -0.9(19) . . . . ?
B29 B25 B30 B26 -139.8(15) . . . . ?
B29 B25 B30 B31 -102.8(17) . . . . ?
B29 B25 B30 B32 -38.4(13) . . . . ?
B29 B28 B32 B27 140.3(11) . . . . ?
B29 B28 B32 B30 37.8(12) . . . . ?
B29 B28 B32 B31 103.8(16) . . . . ?
B29 B30 B31 C12 -61.6(10) . . . . ?
B29 B30 B31 B26 -102.3(11) . . . . ?
B29 B30 B31 B27 0.0(5) . . . . ?
B29 B30 B31 B32 37.2(9) . . . . ?
B29 B30 B32 B27 -101.0(15) . . . . ?
B29 B30 B32 B28 -37.5(10) . . . . ?
B29 B30 B32 B31 -139.4(11) . . . . ?
B30 B25 B26 C11 -135.9(16) . . . . ?
B30 B25 B26 C12 -98.5(15) . . . . ?
B30 B25 B26 B31 -36.7(15) . . . . ?
B30 B25 B29 B24 135.0(15) . . . . ?
B30 B25 B29 B28 100.4(16) . . . . ?
B30 B25 B29 B32 36.7(14) . . . . ?
B30 B26 B31 C12 -132.8(14) . . . . ?
B30 B26 B31 B27 -99.1(16) . . . . ?
B30 B26 B31 B32 -35.2(15) . . . . ?
B30 B29 B32 B27 103.0(14) . . . . ?
B30 B29 B32 B28 138.6(10) . . . . ?
B30 B29 B32 B31 37.9(12) . . . . ?
B30 B31 B32 B27 -138.1(12) . . . . ?
B30 B31 B32 B28 -102.2(14) . . . . ?
B30 B31 B32 B29 -37.6(12) . . . . ?
B31 C12 B23 C11 -100.6(11) . . . . ?
B31 C12 B23 B24 -63.8(15) . . . . ?
B31 C12 B23 B27 37.0(12) . . . . ?
B31 C12 B23 B28 -2.0(17) . . . . ?
B31 C12 B26 C11 137.1(12) . . . . ?
B31 C12 B26 B25 100.7(15) . . . . ?
B31 C12 B26 B30 40.7(13) . . . . ?
B31 C12 B27 B23 -141.2(13) . . . . ?
B31 C12 B27 B28 -101.3(14) . . . . ?
B31 C12 B27 B32 -38.9(11) . . . . ?
B31 B26 B30 B25 138.1(17) . . . . ?
B31 B26 B30 B29 101.5(17) . . . . ?
B31 B26 B30 B32 36.5(13) . . . . ?
B31 B27 B28 B23 -100.8(11) . . . . ?
B31 B27 B28 B24 -61.7(10) . . . . ?
B31 B27 B28 B29 0.0(2) . . . . ?
B31 B27 B28 B32 35.4(8) . . . . ?
B31 B27 B32 B28 -139.9(11) . . . . ?
B31 B27 B32 B29 -104.0(17) . . . . ?
B31 B27 B32 B30 -38.8(14) . . . . ?
B31 B30 B32 B27 38.4(11) . . . . ?
B31 B30 B32 B28 101.9(12) . . . . ?
B31 B30 B32 B29 139.4(11) . . . . ?
B32 B27 B28 B23 -136.1(14) . . . . ?
B32 B27 B28 B24 -97.1(13) . . . . ?
B32 B27 B28 B29 -35.4(8) . . . . ?
B32 B27 B31 C12 134.5(15) . . . . ?
B32 B27 B31 B26 101.0(16) . . . . ?
B32 B27 B31 B30 35.9(9) . . . . ?
B32 B28 B29 B24 -132.9(14) . . . . ?
B32 B28 B29 B25 -99.8(16) . . . . ?
B32 B28 B29 B30 -35.9(8) . . . . ?
B32 B29 B30 B25 -137.6(14) . . . . ?
B32 B29 B30 B26 -100.1(16) . . . . ?
B32 B29 B30 B31 -37.1(9) . . . . ?
B32 B30 B31 C12 -98.8(12) . . . . ?
B32 B30 B31 B26 -139.5(15) . . . . ?
B32 B30 B31 B27 -37.2(9) . . . . ?
C6' C11 C12 B23' 113.5(17) . . . . ?
C6' C11 C12 B26' -107.1(17) . . . . ?
C6' C11 C12 B27' 153.5(14) . . . . ?
C6' C11 C12 B31' -145.6(15) . . . . ?
C6' C11 B23' C12 -118.9(12) . . . . ?
C6' C11 B23' B24' 99.1(17) . . . . ?
C6' C11 B23' B27' -158.5(13) . . . . ?
C6' C11 B23' B28' 139.4(13) . . . . ?
C6' C11 B24' B23' -117.1(14) . . . . ?
C6' C11 B24' B25' 100.9(16) . . . . ?
C6' C11 B24' B28' -157.1(16) . . . . ?
C6' C11 B24' B29' 142.1(16) . . . . ?
C6' C11 B25' B24' -101.9(18) . . . . ?
C6' C11 B25' B26' 112.1(14) . . . . ?
C6' C11 B25' B29' -147.5(15) . . . . ?
C6' C11 B25' B30' 147.7(17) . . . . ?
C6' C11 B26' C12 120.1(11) . . . . ?
C6' C11 B26' B25' -102.1(15) . . . . ?
C6' C11 B26' B30' -138.0(13) . . . . ?
C6' C11 B26' B31' 159.5(13) . . . . ?
B23' C11 C12 B26' 139.5(13) . . . . ?
B23' C11 C12 B27' 40.1(10) . . . . ?
B23' C11 C12 B31' 100.9(12) . . . . ?
B23' C11 C6' N3 45(2) . . . . ?
B23' C11 C6' S3' -145.6(17) . . . . ?
B23' C11 B24' B25' -142.0(17) . . . . ?
B23' C11 B24' B28' -40.0(14) . . . . ?
B23' C11 B24' B29' -100.8(18) . . . . ?
B23' C11 B25' B24' 34.7(16) . . . . ?
B23' C11 B25' B26' -111.4(13) . . . . ?
B23' C11 B25' B29' -10.9(18) . . . . ?
B23' C11 B25' B30' -76(2) . . . . ?
B23' C11 B26' C12 -40.6(14) . . . . ?
B23' C11 B26' B25' 97.2(17) . . . . ?
B23' C11 B26' B30' 61.3(18) . . . . ?
B23' C11 B26' B31' -1(2) . . . . ?
B23' C12 B26' C11 34.2(10) . . . . ?
B23' C12 B26' B25' -3.8(15) . . . . ?
B23' C12 B26' B30' -66.5(17) . . . . ?
B23' C12 B26' B31' -101.1(12) . . . . ?
B23' C12 B27' B28' 36.6(13) . . . . ?
B23' C12 B27' B31' 135.8(14) . . . . ?
B23' C12 B27' B32' 100.4(15) . . . . ?
B23' C12 B31' B26' 95.7(15) . . . . ?
B23' C12 B31' B27' -38.6(11) . . . . ?
B23' C12 B31' B30' 59.7(15) . . . . ?
B23' C12 B31' B32' -3.7(16) . . . . ?
B23' B24' B25' C11 -32.5(13) . . . . ?
B23' B24' B25' B26' -3(2) . . . . ?
B23' B24' B25' B29' 101(2) . . . . ?
B23' B24' B25' B30' 63(2) . . . . ?
B23' B24' B28' B27' -37.8(14) . . . . ?
B23' B24' B28' B29' -140.1(18) . . . . ?
B23' B24' B28' B32' -101.0(15) . . . . ?
B23' B24' B29' B25' -101(2) . . . . ?
B23' B24' B29' B28' 35.9(16) . . . . ?
B23' B24' B29' B30' -65(2) . . . . ?
B23' B24' B29' B32' -3(2) . . . . ?
B23' B27' B28' B24' 38.3(15) . . . . ?
B23' B27' B28' B29' 101.5(12) . . . . ?
B23' B27' B28' B32' 139.6(16) . . . . ?
B23' B27' B31' C12 40.3(13) . . . . ?
B23' B27' B31' B26' 0.0(18) . . . . ?
B23' B27' B31' B30' -64.6(14) . . . . ?
B23' B27' B31' B32' -101.6(16) . . . . ?
B23' B27' B32' B28' -36.7(15) . . . . ?
B23' B27' B32' B29' 0.2(19) . . . . ?
B23' B27' B32' B30' 63.9(16) . . . . ?
B23' B27' B32' B31' 101.3(14) . . . . ?
B23' B28' B29' B24' -36.1(16) . . . . ?
B23' B28' B29' B25' -1.1(17) . . . . ?
B23' B28' B29' B30' 62.8(11) . . . . ?
B23' B28' B29' B32' 100.5(14) . . . . ?
B23' B28' B32' B27' 35.8(13) . . . . ?
B23' B28' B32' B29' -102.4(15) . . . . ?
B23' B28' B32' B30' -63.9(17) . . . . ?
B23' B28' B32' B31' -1(2) . . . . ?
B24' C11 C12 B23' -37.2(14) . . . . ?
B24' C11 C12 B26' 102.3(15) . . . . ?
B24' C11 C12 B27' 2.8(14) . . . . ?
B24' C11 C12 B31' 63.7(14) . . . . ?
B24' C11 C6' N3 115.5(16) . . . . ?
B24' C11 C6' S3' -75(2) . . . . ?
B24' C11 B23' C12 142.0(14) . . . . ?
B24' C11 B23' B27' 102.4(18) . . . . ?
B24' C11 B23' B28' 40.3(15) . . . . ?
B24' C11 B25' B26' -146.1(17) . . . . ?
B24' C11 B25' B29' -45.6(18) . . . . ?
B24' C11 B25' B30' -110(2) . . . . ?
B24' C11 B26' C12 -109.2(12) . . . . ?
B24' C11 B26' B25' 28.6(14) . . . . ?
B24' C11 B26' B30' -7.2(16) . . . . ?
B24' C11 B26' B31' -69.7(16) . . . . ?
B24' B23' B27' C12 102.7(16) . . . . ?
B24' B23' B27' B28' -37.9(16) . . . . ?
B24' B23' B27' B31' 62.9(19) . . . . ?
B24' B23' B27' B32' -2(2) . . . . ?
B24' B23' B28' B27' 136.9(18) . . . . ?
B24' B23' B28' B29' 35.9(16) . . . . ?
B24' B23' B28' B32' 101(2) . . . . ?
B24' B25' B26' C11 -33.2(15) . . . . ?
B24' B25' B26' C12 5(2) . . . . ?
B24' B25' B26' B30' 106(2) . . . . ?
B24' B25' B26' B31' 68(2) . . . . ?
B24' B25' B29' B28' -38.5(16) . . . . ?
B24' B25' B29' B30' -140.0(19) . . . . ?
B24' B25' B29' B32' -100.8(19) . . . . ?
B24' B25' B30' B26' -102(2) . . . . ?
B24' B25' B30' B29' 39.7(19) . . . . ?
B24' B25' B30' B31' -63(2) . . . . ?
B24' B25' B30' B32' 0(2) . . . . ?
B24' B28' B29' B25' 35.0(15) . . . . ?
B24' B28' B29' B30' 99.0(15) . . . . ?
B24' B28' B29' B32' 136.6(18) . . . . ?
B24' B28' B32' B27' 99.5(14) . . . . ?
B24' B28' B32' B29' -38.6(15) . . . . ?
B24' B28' B32' B30' -0.2(17) . . . . ?
B24' B28' B32' B31' 62.9(18) . . . . ?
B24' B29' B30' B25' -32.7(15) . . . . ?
B24' B29' B30' B26' 1.5(19) . . . . ?
B24' B29' B30' B31' 64.2(15) . . . . ?
B24' B29' B30' B32' 102.3(18) . . . . ?
B24' B29' B32' B27' 2(2) . . . . ?
B24' B29' B32' B28' 39.5(17) . . . . ?
B24' B29' B32' B30' -97.4(17) . . . . ?
B24' B29' B32' B31' -60(2) . . . . ?
B25' C11 C12 B23' -96.8(16) . . . . ?
B25' C11 C12 B26' 42.7(16) . . . . ?
B25' C11 C12 B27' -56.8(15) . . . . ?
B25' C11 C12 B31' 4.1(16) . . . . ?
B25' C11 C6' N3 173.1(16) . . . . ?
B25' C11 C6' S3' -18(2) . . . . ?
B25' C11 B23' C12 111.0(11) . . . . ?
B25' C11 B23' B24' -31.0(14) . . . . ?
B25' C11 B23' B27' 71.4(16) . . . . ?
B25' C11 B23' B28' 9.3(16) . . . . ?
B25' C11 B24' B23' 142.0(17) . . . . ?
B25' C11 B24' B28' 102(2) . . . . ?
B25' C11 B24' B29' 41.2(15) . . . . ?
B25' C11 B26' C12 -137.8(13) . . . . ?
B25' C11 B26' B30' -35.9(14) . . . . ?
B25' C11 B26' B31' -98.4(16) . . . . ?
B25' B24' B28' B23' 101(2) . . . . ?
B25' B24' B28' B27' 64(2) . . . . ?
B25' B24' B28' B29' -38.8(17) . . . . ?
B25' B24' B28' B32' 0(2) . . . . ?
B25' B24' B29' B28' 136.5(18) . . . . ?
B25' B24' B29' B30' 35.9(16) . . . . ?
B25' B24' B29' B32' 97.7(19) . . . . ?
B25' B26' B30' B29' -32.9(16) . . . . ?
B25' B26' B30' B31' -135.4(18) . . . . ?
B25' B26' B30' B32' -96.7(18) . . . . ?
B25' B26' B31' C12 -102.8(16) . . . . ?
B25' B26' B31' B27' -62.4(16) . . . . ?
B25' B26' B31' B30' 38.7(13) . . . . ?
B25' B26' B31' B32' 1.0(17) . . . . ?
B25' B29' B30' B26' 34.2(15) . . . . ?
B25' B29' B30' B31' 96.9(14) . . . . ?
B25' B29' B30' B32' 135.0(17) . . . . ?
B25' B29' B32' B27' 58.7(19) . . . . ?
B25' B29' B32' B28' 96.5(15) . . . . ?
B25' B29' B32' B30' -40.4(15) . . . . ?
B25' B29' B32' B31' -3(2) . . . . ?
B25' B30' B31' C12 -4(2) . . . . ?
B25' B30' B31' B26' -39.5(17) . . . . ?
B25' B30' B31' B27' 60.1(16) . . . . ?
B25' B30' B31' B32' 97.8(18) . . . . ?
B25' B30' B32' B27' -64.0(16) . . . . ?
B25' B30' B32' B28' -0.1(17) . . . . ?
B25' B30' B32' B29' 37.7(14) . . . . ?
B25' B30' B32' B31' -100.7(14) . . . . ?
B26' C11 C12 B23' -139.5(13) . . . . ?
B26' C11 C12 B27' -99.4(11) . . . . ?
B26' C11 C12 B31' -38.6(11) . . . . ?
B26' C11 C6' N3 -114.1(17) . . . . ?
B26' C11 C6' S3' 55(2) . . . . ?
B26' C11 B23' C12 40.7(14) . . . . ?
B26' C11 B23' B24' -101.3(17) . . . . ?
B26' C11 B23' B27' 1(2) . . . . ?
B26' C11 B23' B28' -61.0(18) . . . . ?
B26' C11 B24' B23' 109.0(13) . . . . ?
B26' C11 B24' B25' -33.0(15) . . . . ?
B26' C11 B24' B28' 69.0(17) . . . . ?
B26' C11 B24' B29' 8.3(19) . . . . ?
B26' C11 B25' B24' 146.1(17) . . . . ?
B26' C11 B25' B29' 100.5(14) . . . . ?
B26' C11 B25' B30' 35.7(14) . . . . ?
B26' C12 B23' C11 -33.0(10) . . . . ?
B26' C12 B23' B24' 1.9(16) . . . . ?
B26' C12 B23' B27' 100.3(11) . . . . ?
B26' C12 B23' B28' 65.0(15) . . . . ?
B26' C12 B27' B23' -95.9(15) . . . . ?
B26' C12 B27' B28' -59.3(16) . . . . ?
B26' C12 B27' B31' 39.9(12) . . . . ?
B26' C12 B27' B32' 4.5(16) . . . . ?
B26' C12 B31' B27' -134.3(15) . . . . ?
B26' C12 B31' B30' -36.0(14) . . . . ?
B26' C12 B31' B32' -99.4(17) . . . . ?
B26' B25' B29' B24' 105(2) . . . . ?
B26' B25' B29' B28' 66.2(18) . . . . ?
B26' B25' B29' B30' -35.3(15) . . . . ?
B26' B25' B29' B32' 4(2) . . . . ?
B26' B25' B30' B29' 142.0(18) . . . . ?
B26' B25' B30' B31' 38.9(14) . . . . ?
B26' B25' B30' B32' 102.6(14) . . . . ?
B26' B30' B31' C12 35.4(14) . . . . ?
B26' B30' B31' B27' 99.5(13) . . . . ?
B26' B30' B31' B32' 137.2(15) . . . . ?
B26' B30' B32' B27' -1.1(17) . . . . ?
B26' B30' B32' B28' 62.9(17) . . . . ?
B26' B30' B32' B29' 100.7(15) . . . . ?
B26' B30' B32' B31' -37.7(13) . . . . ?
B26' B31' B32' B27' -98.9(12) . . . . ?
B26' B31' B32' B28' -61.1(17) . . . . ?
B26' B31' B32' B29' 1.3(17) . . . . ?
B26' B31' B32' B30' 38.8(12) . . . . ?
B27' C12 B23' C11 -133.4(12) . . . . ?
B27' C12 B23' B24' -98.4(16) . . . . ?
B27' C12 B23' B28' -35.4(12) . . . . ?
B27' C12 B26' C11 95.7(10) . . . . ?
B27' C12 B26' B25' 57.7(15) . . . . ?
B27' C12 B26' B30' -5.0(19) . . . . ?
B27' C12 B26' B31' -39.6(12) . . . . ?
B27' C12 B31' B26' 134.3(15) . . . . ?
B27' C12 B31' B30' 98.3(16) . . . . ?
B27' C12 B31' B32' 34.9(12) . . . . ?
B27' B23' B24' C11 -95.6(15) . . . . ?
B27' B23' B24' B25' -61(2) . . . . ?
B27' B23' B24' B28' 38.2(15) . . . . ?
B27' B23' B24' B29' 3(2) . . . . ?
B27' B23' B28' B24' -136.9(18) . . . . ?
B27' B23' B28' B29' -101.0(14) . . . . ?
B27' B23' B28' B32' -36.2(13) . . . . ?
B27' B28' B29' B24' -99.0(14) . . . . ?
B27' B28' B29' B25' -63.9(11) . . . . ?
B27' B28' B29' B30' 0.0(2) . . . . ?
B27' B28' B29' B32' 37.6(9) . . . . ?
B27' B28' B32' B29' -138.2(12) . . . . ?
B27' B28' B32' B30' -99.7(12) . . . . ?
B27' B28' B32' B31' -36.7(10) . . . . ?
B27' B31' B32' B28' 37.8(11) . . . . ?
B27' B31' B32' B29' 100.2(15) . . . . ?
B27' B31' B32' B30' 137.7(11) . . . . ?
B28' B23' B24' C11 -133.8(16) . . . . ?
B28' B23' B24' B25' -99(2) . . . . ?
B28' B23' B24' B29' -35.2(16) . . . . ?
B28' B23' B27' C12 140.6(14) . . . . ?
B28' B23' B27' B31' 100.8(15) . . . . ?
B28' B23' B27' B32' 35.9(14) . . . . ?
B28' B24' B25' C11 -95.9(15) . . . . ?
B28' B24' B25' B26' -67(2) . . . . ?
B28' B24' B25' B29' 37.8(15) . . . . ?
B28' B24' B25' B30' 0(2) . . . . ?
B28' B24' B29' B25' -136.5(18) . . . . ?
B28' B24' B29' B30' -100.6(17) . . . . ?
B28' B24' B29' B32' -38.8(15) . . . . ?
B28' B27' B31' C12 104.9(10) . . . . ?
B28' B27' B31' B26' 64.5(11) . . . . ?
B28' B27' B31' B30' 0.0(5) . . . . ?
B28' B27' B31' B32' -37.1(9) . . . . ?
B28' B27' B32' B29' 37.0(13) . . . . ?
B28' B27' B32' B30' 100.7(14) . . . . ?
B28' B27' B32' B31' 138.0(13) . . . . ?
B28' B29' B30' B25' -97.0(14) . . . . ?
B28' B29' B30' B26' -62.8(10) . . . . ?
B28' B29' B30' B31' 0.0(5) . . . . ?
B28' B29' B30' B32' 38.0(8) . . . . ?
B28' B29' B32' B27' -37.8(11) . . . . ?
B28' B29' B32' B30' -136.9(10) . . . . ?
B28' B29' B32' B31' -99.7(12) . . . . ?
B29' B24' B25' C11 -133.8(15) . . . . ?
B29' B24' B25' B26' -104.6(16) . . . . ?
B29' B24' B25' B30' -38.2(16) . . . . ?
B29' B24' B28' B23' 140.1(18) . . . . ?
B29' B24' B28' B27' 102.4(16) . . . . ?
B29' B24' B28' B32' 39.2(15) . . . . ?
B29' B25' B26' C11 -103.9(19) . . . . ?
B29' B25' B26' C12 -66.0(18) . . . . ?
B29' B25' B26' B30' 35.6(15) . . . . ?
B29' B25' B26' B31' -3(2) . . . . ?
B29' B25' B30' B26' -142.0(18) . . . . ?
B29' B25' B30' B31' -103.1(18) . . . . ?
B29' B25' B30' B32' -39.4(14) . . . . ?
B29' B28' B32' B27' 138.2(12) . . . . ?
B29' B28' B32' B30' 38.5(10) . . . . ?
B29' B28' B32' B31' 101.5(17) . . . . ?
B29' B30' B31' C12 -64.1(11) . . . . ?
B29' B30' B31' B26' -99.5(13) . . . . ?
B29' B30' B31' B27' 0.0(6) . . . . ?
B29' B30' B31' B32' 37.7(8) . . . . ?
B29' B30' B32' B27' -101.7(14) . . . . ?
B29' B30' B32' B28' -37.8(12) . . . . ?
B29' B30' B32' B31' -138.4(12) . . . . ?
B30' B25' B26' C11 -139.6(16) . . . . ?
B30' B25' B26' C12 -101.6(13) . . . . ?
B30' B25' B26' B31' -38.8(14) . . . . ?
B30' B25' B29' B24' 140.0(19) . . . . ?
B30' B25' B29' B28' 101.5(16) . . . . ?
B30' B25' B29' B32' 39.2(16) . . . . ?
B30' B26' B31' C12 -141.4(16) . . . . ?
B30' B26' B31' B27' -101.1(16) . . . . ?
B30' B26' B31' B32' -37.6(15) . . . . ?
B30' B29' B32' B27' 99.1(12) . . . . ?
B30' B29' B32' B28' 136.9(10) . . . . ?
B30' B29' B32' B31' 37.3(10) . . . . ?
B30' B31' B32' B27' -137.7(11) . . . . ?
B30' B31' B32' B28' -100.0(15) . . . . ?
B30' B31' B32' B29' -37.5(10) . . . . ?
B31' C12 B23' C11 -94.9(10) . . . . ?
B31' C12 B23' B24' -60.0(16) . . . . ?
B31' C12 B23' B27' 38.5(11) . . . . ?
B31' C12 B23' B28' 3.1(17) . . . . ?
B31' C12 B26' C11 135.3(13) . . . . ?
B31' C12 B26' B25' 97.3(14) . . . . ?
B31' C12 B26' B30' 34.6(13) . . . . ?
B31' C12 B27' B23' -135.8(14) . . . . ?
B31' C12 B27' B28' -99.3(13) . . . . ?
B31' C12 B27' B32' -35.4(11) . . . . ?
B31' B26' B30' B25' 135.4(18) . . . . ?
B31' B26' B30' B29' 102.5(17) . . . . ?
B31' B26' B30' B32' 38.7(13) . . . . ?
B31' B27' B28' B23' -101.5(13) . . . . ?
B31' B27' B28' B24' -63.2(15) . . . . ?
B31' B27' B28' B29' 0.0(2) . . . . ?
B31' B27' B28' B32' 38.0(10) . . . . ?
B31' B27' B32' B28' -138.0(13) . . . . ?
B31' B27' B32' B29' -101.1(18) . . . . ?
B31' B27' B32' B30' -37.4(11) . . . . ?
B31' B30' B32' B27' 36.7(9) . . . . ?
B31' B30' B32' B28' 100.7(12) . . . . ?
B31' B30' B32' B29' 138.4(12) . . . . ?
B32' B27' B28' B23' -139.6(16) . . . . ?
B32' B27' B28' B24' -101.2(19) . . . . ?
B32' B27' B28' B29' -38.0(10) . . . . ?
B32' B27' B31' C12 141.9(14) . . . . ?
B32' B27' B31' B26' 101.6(15) . . . . ?
B32' B27' B31' B30' 37.0(9) . . . . ?
B32' B28' B29' B24' -136.6(18) . . . . ?
B32' B28' B29' B25' -101.5(16) . . . . ?
B32' B28' B29' B30' -37.6(9) . . . . ?
B32' B29' B30' B25' -135.0(17) . . . . ?
B32' B29' B30' B26' -100.8(13) . . . . ?
B32' B29' B30' B31' -38.1(8) . . . . ?
B32' B30' B31' C12 -101.8(12) . . . . ?
B32' B30' B31' B26' -137.2(15) . . . . ?
B32' B30' B31' B27' -37.7(8) . . . . ?

_shelx_SHELXL_version_number     2019/2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_230218d_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2303641'
loop_
_audit_author_name
_audit_author_address
'Xin-Ran Liu'
;Fudan university
China
;
_audit_update_record             
;
2023-10-25 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;
_audit_creation_date             2023-10-03
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C45 H79 B30 Ir3 N3 S3)'
_chemical_formula_sum            'C90 H158 B60 Ir6 N6 S6'
_chemical_formula_weight         3318.37
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0148 0.0070 '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 0.0073 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -5.4392 5.4712 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2924 0.4247 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.6388(6)
_cell_length_b                   18.5304(7)
_cell_length_c                   24.0367(9)
_cell_angle_alpha                91.778(2)
_cell_angle_beta                 91.812(2)
_cell_angle_gamma                103.9010(10)
_cell_volume                     7616.5(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9088
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      52.16
_cell_measurement_theta_min      3.20
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.552
_exptl_absorpt_correction_T_max  0.008
_exptl_absorpt_correction_T_min  0.002
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick,1996)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3196
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            125456
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        52.299
_diffrn_reflns_theta_max         52.299
_diffrn_reflns_theta_min         3.736
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1999426
_diffrn_source_voltage           69.91
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                22443
_reflns_number_total             26018
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.618
_refine_diff_density_min         -1.691
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1549
_refine_ls_number_reflns         26018
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0395
_refine_ls_restrained_S_all      1.036
_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)+(0.0380P)²+42.7584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0973
_refine_ls_wR_factor_ref         0.1016
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00Z(H00Z), C01M(H01M), C01Q(H01Q), C01S(H01S)
2.b Idealised Me refined as rotating group:
 C014(H01N,H01O,H01P), C017(H01A,H01B,H01C), C01V(H01D,H01E,H01F), C01W(H01G,
 H01H,H01I), C01X(H01J,H01K,H01L), C022(H1,H,HA), C023(H2,HB,HC), C027(H02A,
 H02B,H02C), C02B(H3,HD,HE), C02E(H4,HF,HG), C02G(H02G,H02H,H02I), C02H(H5,HH,
 HI), C02J(H02J,H02K,H02L), C02K(H7,HJ,HK), C02L(H8,HL,HM), C02M(H02M,H02N,
 H02O), C02T(H02T,H02U,H02V), C02U(H02W,H02X,H02Y), C02Y(H02,HN,HO), C031(H03A,
 H03B,H03C), C033(H03D,H03E,H03F), C03D(H03X,H03Y,HP), C03K(H03,HQ,HR),
 C03R(H03N,H03O,H03Q), C03W(H03R,H03S,H03V), C042(H04A,H04B,H04E), C048(H04F,
 H04H,H04I), C04H(H04O,H04P,H04Q), C04M(H04U,H04V,H04W), C04O(H04Y,HS,HT)
2.c Boron cage BH refined with riding coordinates:
 C00M(H00M), C00T(H00T), C01Y(H01Y), C029(H029), B02A(H02D), B02C(H02E),
 B02D(H02F), B02I(H6), B02N(H02P), B02O(H02Q), C02P(H02R), B02Q(H02S), B02S(H9),
  B02V(H10), B02W(H02Z), B02X(H11), C02Z(H12), B030(H030), B032(H032),
 B034(H034), B035(H035), B036(H036), B038(H038), B03A(H03G), B03B(H03W),
 B03C(H03H), B03E(H03I), B03F(H03J), B03G(H03Z), B03H(H03K), B03J(H03L),
 B03L(H03M), B03M(H13), B03N(H14), B03O(H15), B03P(H03P), B03S(H16), B03T(H03T),
  B03U(H03U), B03V(H17), B03X(H18), B03Z(H19), B040(H040), B041(H041),
 B043(H043), B044(H044), B045(H045), B046(H046), B047(H047), B049(H049),
 B04A(H04K), B04B(H04L), B04C(H04C), B04D(H04D), B04E(H04M), B04F(H04N),
 B04G(H04G), B04I(H04R), B04J(H04J), B04K(H04S), B04L(H04T), B04N(H04X)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Ir01 Ir -0.07138(2) 0.55118(2) 0.25836(2) 0.03233(7) Uani 1 1 d . . . . .
Ir02 Ir 0.42517(2) 0.56128(2) 0.23902(2) 0.03436(7) Uani 1 1 d . . . . .
Ir03 Ir 0.28667(2) 0.88471(2) 0.41642(2) 0.03428(7) Uani 1 1 d . . . . .
Ir04 Ir 0.45039(2) 0.44188(2) 0.16936(2) 0.03512(7) Uani 1 1 d . . . . .
Ir05 Ir -0.04071(2) 0.43320(2) 0.32268(2) 0.03552(7) Uani 1 1 d . . . . .
Ir06 Ir 0.78127(2) 0.89512(2) 0.11595(2) 0.04454(8) Uani 1 1 d . . . . .
S007 S 0.02965(8) 0.55584(8) 0.32381(6) 0.0311(3) Uani 1 1 d . . . . .
S008 S 0.52576(8) 0.56232(9) 0.17860(6) 0.0332(3) Uani 1 1 d . . . . .
S009 S 0.40251(8) 0.84927(8) 0.43770(7) 0.0374(3) Uani 1 1 d . . . . .
S00A S 0.32936(10) 0.92267(9) 0.32879(7) 0.0452(4) Uani 1 1 d . . . . .
S00B S 0.89424(10) 0.86474(9) 0.08403(8) 0.0468(4) Uani 1 1 d . . . . .
S00C S 0.83730(10) 0.92478(10) 0.20579(8) 0.0517(4) Uani 1 1 d . . . . .
N00D N 0.0316(3) 0.6580(3) 0.4093(2) 0.0354(12) Uani 1 1 d . . . . .
N00E N 0.3074(3) 0.7105(3) 0.4516(2) 0.0330(11) Uani 1 1 d . . . . .
N00F N 0.5316(3) 0.6684(3) 0.1013(2) 0.0417(13) Uani 1 1 d . . . . .
N00G N 0.8017(3) 0.7242(3) 0.0610(2) 0.0374(12) Uani 1 1 d . . . . .
N00H N 0.7191(3) 0.8111(3) 0.2380(2) 0.0412(13) Uani 1 1 d . . . . .
N00I N 0.2067(3) 0.8122(3) 0.2869(2) 0.0403(12) Uani 1 1 d . . . . .
C00J C 0.7446(3) 0.7361(3) 0.0957(2) 0.0336(13) Uani 1 1 d . . . . .
C00K C -0.0348(4) 0.5489(4) 0.1684(2) 0.0384(14) Uani 1 1 d . . . . .
C00L C -0.1182(4) 0.5314(4) 0.1717(3) 0.0410(15) Uani 1 1 d . . . . .
C00M C 0.4103(3) 0.6556(3) 0.5223(2) 0.0346(13) Uani 1 1 d . . . . .
H00M H 0.346848 0.626965 0.524111 0.042 Uiso 1 1 calc R U . . .
C00N C 0.4088(3) 0.5792(4) 0.1074(2) 0.0349(14) Uani 1 1 d . . . . .
C00O C 0.7625(4) 0.7801(3) 0.1467(2) 0.0351(14) Uani 1 1 d . . . . .
H00O H 0.816(4) 0.780(4) 0.166(3) 0.042 Uiso 1 1 d . U . . .
C00P C -0.0692(4) 0.6500(4) 0.2106(3) 0.0396(15) Uani 1 1 d . . . . .
C00Q C 0.2461(3) 0.7252(3) 0.4196(2) 0.0331(13) Uani 1 1 d . . . . .
C00R C -0.0300(4) 0.3405(4) 0.3731(3) 0.0511(18) Uani 1 1 d . . . . .
C00S C 0.3798(4) 0.5395(4) 0.3231(3) 0.0423(16) Uani 1 1 d . . . . .
C00T C 0.9014(4) 0.6689(4) -0.0090(3) 0.0392(15) Uani 1 1 d . . . . .
H00T H 0.839499 0.635497 -0.007955 0.047 Uiso 1 1 calc R U . . .
C00U C -0.1403(3) 0.5940(4) 0.1962(2) 0.0386(15) Uani 1 1 d . . . . .
C00V C 0.4934(3) 0.6106(4) 0.1238(2) 0.0347(14) Uani 1 1 d . . . . .
C00W C -0.0821(4) 0.3113(4) 0.3253(3) 0.0511(18) Uani 1 1 d . . . . .
C00X C 0.3581(4) 0.6038(4) 0.3015(3) 0.0386(15) Uani 1 1 d . . . . .
C00Y C -0.0051(4) 0.6211(3) 0.1924(2) 0.0364(14) Uani 1 1 d . . . . .
C00Z C 0.6685(3) 0.6981(4) 0.0826(2) 0.0373(14) Uani 1 1 d . . . . .
H00Z H 0.656233 0.668980 0.048764 0.045 Uiso 1 1 calc R U . . .
C010 C 0.2595(4) 0.7725(3) 0.3729(3) 0.0357(14) Uani 1 1 d . . . . .
H010 H 0.304(4) 0.778(4) 0.357(3) 0.043 Uiso 1 1 d . U . . .
C011 C 0.4636(4) 0.5566(4) 0.3297(2) 0.0391(15) Uani 1 1 d . . . . .
C012 C -0.0889(3) 0.5648(3) 0.3912(3) 0.0353(14) Uani 1 1 d . . . . .
C013 C 0.7017(4) 0.7808(3) 0.1844(3) 0.0368(14) Uani 1 1 d . . . . .
C014 C 0.5116(4) 0.5070(4) 0.3534(3) 0.0524(18) Uani 1 1 d . . . . .
H01N H 0.486059 0.454939 0.343476 0.079 Uiso 1 1 calc R U . . .
H01O H 0.516160 0.514187 0.394046 0.079 Uiso 1 1 calc R U . . .
H01P H 0.563798 0.519524 0.338144 0.079 Uiso 1 1 calc R U . . .
C015 C 0.0457(4) 0.3729(4) 0.3527(3) 0.0477(17) Uani 1 1 d . . . . .
C016 C 0.1087(3) 0.6938(3) 0.3956(2) 0.0333(13) Uani 1 1 d . . . . .
C017 C 0.0138(4) 0.5008(4) 0.1417(3) 0.0492(17) Uani 1 1 d . . . . .
H01A H 0.066583 0.513415 0.158967 0.074 Uiso 1 1 calc R U . . .
H01B H 0.016670 0.509598 0.101719 0.074 Uiso 1 1 calc R U . . .
H01C H -0.010670 0.448219 0.147069 0.074 Uiso 1 1 calc R U . . .
C018 C -0.0057(3) 0.6008(3) 0.3810(2) 0.0323(13) Uani 1 1 d . . . . .
C019 C 0.4929(3) 0.6286(4) 0.3114(2) 0.0382(15) Uani 1 1 d . . . . .
C01A C 0.5290(4) 0.3676(4) 0.1993(3) 0.0433(16) Uani 1 1 d . . . . .
C01B C 0.4516(4) 0.3333(4) 0.2101(3) 0.0494(17) Uani 1 1 d . . . . .
C01C C 0.2481(4) 0.8969(4) 0.5015(3) 0.0456(17) Uani 1 1 d . . . . .
C01D C 0.0421(4) 0.3624(4) 0.2926(3) 0.0492(17) Uani 1 1 d . . . . .
C01E C 0.9292(4) 0.7494(3) 0.0261(3) 0.0384(14) Uani 1 1 d . . . . .
C01F C 0.8673(4) 0.7734(3) 0.0582(3) 0.0374(14) Uani 1 1 d . . . . .
B01G B 0.3726(4) 0.4880(4) 0.1216(3) 0.0402(17) Uani 1 1 d . . . . .
C01H C 0.4384(3) 0.7309(3) 0.4870(3) 0.0345(13) Uani 1 1 d . . . . .
C01I C 0.5340(4) 0.3791(4) 0.1404(3) 0.0439(16) Uani 1 1 d . . . . .
C01J C 0.4571(4) 0.3483(4) 0.1146(3) 0.0429(15) Uani 1 1 d . . . . .
C01K C 0.1827(4) 0.8936(4) 0.4647(3) 0.0476(17) Uani 1 1 d . . . . .
C01L C 0.2797(4) 0.8906(4) 0.2208(3) 0.0477(17) Uani 1 1 d . . . . .
C01M C 0.1706(3) 0.6866(3) 0.4303(3) 0.0357(14) Uani 1 1 d . . . . .
H01M H 0.161334 0.655450 0.461278 0.043 Uiso 1 1 calc R U . . .
C01N C 0.3745(3) 0.7581(3) 0.4568(2) 0.0337(13) Uani 1 1 d . . . . .
C01O C -0.0356(5) 0.3257(4) 0.2769(3) 0.0533(18) Uani 1 1 d . . . . .
C01P C 0.7803(4) 0.8659(4) 0.2489(3) 0.0446(16) Uani 1 1 d . . . . .
C01Q C 0.1199(4) 0.7400(4) 0.3505(3) 0.0406(15) Uani 1 1 d . . . . .
H01Q H 0.076231 0.745802 0.328544 0.049 Uiso 1 1 calc R U . . .
C01R C 0.1947(4) 0.7774(3) 0.3376(3) 0.0382(14) Uani 1 1 d . . . . .
C01S C 0.6257(4) 0.7430(4) 0.1692(3) 0.0445(16) Uani 1 1 d . . . . .
H01S H 0.584541 0.744930 0.193314 0.053 Uiso 1 1 calc R U . . .
C01T C 0.4046(4) 0.3213(4) 0.1582(3) 0.0498(17) Uani 1 1 d . . . . .
C01U C 0.6093(3) 0.7023(4) 0.1190(3) 0.0385(15) Uani 1 1 d . . . . .
C01V C -0.0648(4) 0.7287(4) 0.2302(3) 0.0479(16) Uani 1 1 d . . . . .
H01D H -0.110957 0.730262 0.251328 0.072 Uiso 1 1 calc R U . . .
H01E H -0.062812 0.760068 0.197932 0.072 Uiso 1 1 calc R U . . .
H01F H -0.017553 0.747050 0.254072 0.072 Uiso 1 1 calc R U . . .
C01W C 0.0791(4) 0.6622(4) 0.1968(3) 0.0459(16) Uani 1 1 d . . . . .
H01G H 0.086909 0.700580 0.226864 0.069 Uiso 1 1 calc R U . . .
H01H H 0.094119 0.685702 0.161529 0.069 Uiso 1 1 calc R U . . .
H01I H 0.111523 0.627349 0.204931 0.069 Uiso 1 1 calc R U . . .
C01X C -0.1734(4) 0.4608(4) 0.1475(3) 0.0542(19) Uani 1 1 d . . . . .
H01J H -0.146946 0.419957 0.147962 0.081 Uiso 1 1 calc R U . . .
H01K H -0.188907 0.468540 0.109065 0.081 Uiso 1 1 calc R U . . .
H01L H -0.219936 0.448307 0.169853 0.081 Uiso 1 1 calc R U . . .
C01Y C 0.3487(4) 0.6324(5) 0.1201(3) 0.0515(18) Uani 1 1 d . . . . .
H01Y H 0.368873 0.691187 0.136989 0.062 Uiso 1 1 calc R U . . .
C01Z C 0.4288(4) 0.6593(4) 0.2931(3) 0.0415(15) Uani 1 1 d . . . . .
C020 C 0.3071(4) 0.9621(4) 0.4893(3) 0.0481(17) Uani 1 1 d . . . . .
C021 C 0.2664(4) 0.8688(4) 0.2802(3) 0.0442(16) Uani 1 1 d . . . . .
C022 C 0.3253(4) 0.4699(4) 0.3408(3) 0.057(2) Uani 1 1 d . . . . .
H1 H 0.276362 0.460659 0.318331 0.085 Uiso 1 1 calc R U . . .
H H 0.314318 0.475446 0.380237 0.085 Uiso 1 1 calc R U . . .
HA H 0.349453 0.427865 0.335550 0.085 Uiso 1 1 calc R U . . .
C023 C 0.5789(4) 0.6687(4) 0.3117(3) 0.0478(17) Uani 1 1 d . . . . .
H2 H 0.608186 0.636775 0.293196 0.072 Uiso 1 1 calc R U . . .
HB H 0.599019 0.680249 0.350206 0.072 Uiso 1 1 calc R U . . .
HC H 0.584849 0.715007 0.291777 0.072 Uiso 1 1 calc R U . . .
C024 C 0.2018(4) 0.9534(4) 0.4266(3) 0.0464(16) Uani 1 1 d . . . . .
C025 C 0.2788(4) 0.9959(4) 0.4439(3) 0.0457(16) Uani 1 1 d . . . . .
B026 B 0.3542(4) 0.5600(5) 0.1662(3) 0.0403(17) Uani 1 1 d . . . . .
C027 C 0.1174(4) 0.4084(5) 0.3877(3) 0.066(2) Uani 1 1 d . . . . .
H02A H 0.144117 0.455135 0.371442 0.099 Uiso 1 1 calc R U . . .
H02B H 0.152556 0.374714 0.388928 0.099 Uiso 1 1 calc R U . . .
H02C H 0.102590 0.418607 0.425522 0.099 Uiso 1 1 calc R U . . .
C028 C 0.8033(4) 0.8801(4) 0.3116(3) 0.0515(18) Uani 1 1 d . . . . .
C029 C 0.2090(4) 0.8574(4) 0.1749(3) 0.0546(19) Uani 1 1 d . . . . .
H029 H 0.153237 0.819987 0.188008 0.066 Uiso 1 1 calc R U . . .
B02A B 0.5613(4) 0.6573(5) 0.5551(4) 0.0476(19) Uani 1 1 d . . . . .
H02D H 0.603684 0.631969 0.578583 0.057 Uiso 1 1 calc R U . . .
C02B C 0.6059(4) 0.4119(5) 0.1105(3) 0.0573(19) Uani 1 1 d . . . . .
H3 H 0.638024 0.375589 0.107600 0.086 Uiso 1 1 calc R U . . .
HD H 0.635630 0.456736 0.131093 0.086 Uiso 1 1 calc R U . . .
HE H 0.591408 0.424820 0.073080 0.086 Uiso 1 1 calc R U . . .
B02C B 0.4680(4) 0.6578(5) 0.5807(3) 0.0425(17) Uani 1 1 d . . . . .
H02E H 0.447773 0.632383 0.620944 0.051 Uiso 1 1 calc R U . . .
B02D B 0.4752(4) 0.6015(4) 0.5202(3) 0.0421(17) Uani 1 1 d . . . . .
H02F H 0.459413 0.539288 0.520729 0.051 Uiso 1 1 calc R U . . .
C02E C 0.4337(4) 0.7378(4) 0.2772(3) 0.0514(18) Uani 1 1 d . . . . .
H4 H 0.482887 0.757137 0.258870 0.077 Uiso 1 1 calc R U . . .
HF H 0.431830 0.768695 0.310782 0.077 Uiso 1 1 calc R U . . .
HG H 0.389633 0.738984 0.251709 0.077 Uiso 1 1 calc R U . . .
B02F B -0.1215(4) 0.4726(4) 0.3696(3) 0.0375(16) Uani 1 1 d . . . . .
C02G C -0.2233(4) 0.6018(4) 0.2002(3) 0.0502(18) Uani 1 1 d . . . . .
H02G H -0.256734 0.554674 0.211412 0.075 Uiso 1 1 calc R U . . .
H02H H -0.242116 0.614548 0.163907 0.075 Uiso 1 1 calc R U . . .
H02I H -0.224801 0.641237 0.227992 0.075 Uiso 1 1 calc R U . . .
C02H C 0.4195(6) 0.3082(5) 0.2655(3) 0.069(2) Uani 1 1 d . . . . .
H5 H 0.454309 0.335781 0.295636 0.104 Uiso 1 1 calc R U . . .
HH H 0.415873 0.254819 0.268408 0.104 Uiso 1 1 calc R U . . .
HI H 0.367397 0.317573 0.268603 0.104 Uiso 1 1 calc R U . . .
B02I B 0.3807(4) 0.5204(5) 0.0525(3) 0.0401(17) Uani 1 1 d . . . . .
H6 H 0.421327 0.501230 0.023712 0.048 Uiso 1 1 calc R U . . .
C02J C 0.1488(5) 0.9738(5) 0.3825(4) 0.069(2) Uani 1 1 d . . . . .
H02J H 0.179525 0.993518 0.350635 0.103 Uiso 1 1 calc R U . . .
H02K H 0.124095 1.011714 0.397826 0.103 Uiso 1 1 calc R U . . .
H02L H 0.108350 0.929500 0.370207 0.103 Uiso 1 1 calc R U . . .
C02K C 0.2752(4) 0.6114(4) 0.2953(3) 0.0508(18) Uani 1 1 d . . . . .
H7 H 0.272798 0.650407 0.269150 0.076 Uiso 1 1 calc R U . . .
HJ H 0.257635 0.624732 0.331618 0.076 Uiso 1 1 calc R U . . .
HK H 0.241356 0.564072 0.281056 0.076 Uiso 1 1 calc R U . . .
C02L C 0.5981(5) 0.3869(5) 0.2400(3) 0.062(2) Uani 1 1 d . . . . .
H8 H 0.631829 0.435101 0.231198 0.093 Uiso 1 1 calc R U . . .
HL H 0.627707 0.348508 0.237329 0.093 Uiso 1 1 calc R U . . .
HM H 0.579830 0.389692 0.277878 0.093 Uiso 1 1 calc R U . . .
C02M C 0.1097(5) 0.3838(5) 0.2558(3) 0.063(2) Uani 1 1 d . . . . .
H02M H 0.090352 0.384371 0.217144 0.095 Uiso 1 1 calc R U . . .
H02N H 0.142023 0.347736 0.258490 0.095 Uiso 1 1 calc R U . . .
H02O H 0.141058 0.433446 0.267440 0.095 Uiso 1 1 calc R U . . .
B02N B 0.5924(5) 0.7393(5) 0.5169(4) 0.051(2) Uani 1 1 d . . . . .
H02P H 0.655793 0.768364 0.515321 0.061 Uiso 1 1 calc R U . . .
B02O B 0.4415(5) 0.7403(4) 0.5582(3) 0.0400(17) Uani 1 1 d . . . . .
H02Q H 0.403588 0.769063 0.582728 0.048 Uiso 1 1 calc R U . . .
C02P C -0.1519(4) 0.6157(5) 0.3781(3) 0.0516(18) Uani 1 1 d . . . . .
H02R H -0.133756 0.674940 0.365622 0.062 Uiso 1 1 calc R U . . .
B02Q B 0.5534(4) 0.6513(5) 0.4802(4) 0.048(2) Uani 1 1 d . . . . .
H02S H 0.590297 0.622588 0.454609 0.058 Uiso 1 1 calc R U . . .
B02R B -0.1428(4) 0.5460(4) 0.3282(3) 0.0370(16) Uani 1 1 d . . . . .
B02S B 0.3684(4) 0.6126(5) 0.0509(3) 0.0445(18) Uani 1 1 d . . . . .
H9 H 0.400368 0.654516 0.021955 0.053 Uiso 1 1 calc R U . . .
C02T C -0.1656(5) 0.2678(5) 0.3264(4) 0.076(3) Uani 1 1 d . . . . .
H02T H -0.194117 0.276264 0.292572 0.114 Uiso 1 1 calc R U . . .
H02U H -0.189926 0.283952 0.359163 0.114 Uiso 1 1 calc R U . . .
H02V H -0.167377 0.214635 0.328367 0.114 Uiso 1 1 calc R U . . .
C02U C -0.0492(5) 0.3303(5) 0.4331(3) 0.061(2) Uani 1 1 d . . . . .
H02W H -0.020511 0.373975 0.455526 0.092 Uiso 1 1 calc R U . . .
H02X H -0.034047 0.285859 0.446059 0.092 Uiso 1 1 calc R U . . .
H02Y H -0.105460 0.324214 0.437064 0.092 Uiso 1 1 calc R U . . .
B02V B 0.2748(4) 0.4867(5) 0.1404(3) 0.046(2) Uani 1 1 d . . . . .
H10 H 0.242504 0.444838 0.169260 0.055 Uiso 1 1 calc R U . . .
B02W B -0.1157(4) 0.5047(5) 0.4417(3) 0.0434(18) Uani 1 1 d . . . . .
H02Z H -0.074278 0.487428 0.471795 0.052 Uiso 1 1 calc R U . . .
B02X B 0.2631(4) 0.5790(5) 0.1412(3) 0.050(2) Uani 1 1 d . . . . .
H11 H 0.224622 0.599332 0.171081 0.059 Uiso 1 1 calc R U . . .
C02Y C 0.3183(5) 1.0674(4) 0.4173(4) 0.065(2) Uani 1 1 d . . . . .
H02 H 0.375127 1.075800 0.422577 0.098 Uiso 1 1 calc R U . . .
HN H 0.301226 1.109000 0.434720 0.098 Uiso 1 1 calc R U . . .
HO H 0.304175 1.063696 0.377376 0.098 Uiso 1 1 calc R U . . .
C02Z C 0.7376(5) 0.8413(5) 0.3553(3) 0.059(2) Uani 1 1 d . . . . .
H12 H 0.679357 0.807487 0.338858 0.071 Uiso 1 1 calc R U . . .
B030 B -0.2195(4) 0.4689(5) 0.3450(3) 0.046(2) Uani 1 1 d . . . . .
H030 H -0.249593 0.426843 0.312024 0.055 Uiso 1 1 calc R U . . .
C031 C 0.1026(5) 0.8414(4) 0.4679(4) 0.068(2) Uani 1 1 d . . . . .
H03A H 0.076254 0.834505 0.430900 0.102 Uiso 1 1 calc R U . . .
H03B H 0.071553 0.862597 0.494042 0.102 Uiso 1 1 calc R U . . .
H03C H 0.108150 0.793158 0.480755 0.102 Uiso 1 1 calc R U . . .
B032 B 0.5401(5) 0.7431(5) 0.5787(4) 0.052(2) Uani 1 1 d . . . . .
H032 H 0.568142 0.774207 0.617630 0.062 Uiso 1 1 calc R U . . .
C033 C -0.0666(6) 0.3014(4) 0.2190(3) 0.070(2) Uani 1 1 d . . . . .
H03D H -0.120807 0.305766 0.214925 0.106 Uiso 1 1 calc R U . . .
H03E H -0.064820 0.249534 0.211753 0.106 Uiso 1 1 calc R U . . .
H03F H -0.034664 0.333024 0.192270 0.106 Uiso 1 1 calc R U . . .
B034 B 0.4544(4) 0.6484(4) 0.4604(3) 0.0399(17) Uani 1 1 d . . . . .
H034 H 0.424732 0.617706 0.421771 0.048 Uiso 1 1 calc R U . . .
B035 B 0.9589(4) 0.6737(5) 0.0504(3) 0.0431(18) Uani 1 1 d . . . . .
H035 H 0.939379 0.645945 0.090024 0.052 Uiso 1 1 calc R U . . .
B036 B 0.9737(5) 0.6226(5) -0.0104(3) 0.049(2) Uani 1 1 d . . . . .
H036 H 0.964753 0.560685 -0.010664 0.059 Uiso 1 1 calc R U . . .
C037 C 0.6670(5) 0.9074(5) 0.0777(4) 0.065(2) Uani 1 1 d . . . . .
B038 B 0.9480(5) 0.6676(5) -0.0691(3) 0.049(2) Uani 1 1 d . . . . .
H038 H 0.922191 0.635052 -0.108038 0.059 Uiso 1 1 calc R U . . .
C039 C 0.7872(5) 0.9774(5) 0.0514(4) 0.065(2) Uani 1 1 d . . . . .
B03A B 0.5193(4) 0.7893(4) 0.5183(3) 0.0462(19) Uani 1 1 d . . . . .
H03G H 0.533522 0.851491 0.516917 0.055 Uiso 1 1 calc R U . . .
B03B B 1.0777(5) 0.7680(5) -0.0109(4) 0.057(2) Uani 1 1 d . . . . .
H03W H 1.139173 0.802528 -0.011660 0.069 Uiso 1 1 calc R U . . .
B03C B -0.2011(4) 0.4421(5) 0.4148(3) 0.0451(19) Uani 1 1 d . . . . .
H03H H -0.218087 0.382939 0.427647 0.054 Uiso 1 1 calc R U . . .
C03D C 0.4384(5) 0.3397(4) 0.0530(3) 0.0563(19) Uani 1 1 d . . . . .
H03X H 0.467499 0.383839 0.034665 0.085 Uiso 1 1 calc R U . . .
H03Y H 0.382186 0.334211 0.046006 0.085 Uiso 1 1 calc R U . . .
HP H 0.453243 0.295499 0.038013 0.085 Uiso 1 1 calc R U . . .
B03E B -0.2352(4) 0.5598(5) 0.3491(3) 0.049(2) Uani 1 1 d . . . . .
H03I H -0.274416 0.579002 0.318314 0.059 Uiso 1 1 calc R U . . .
B03F B 0.5263(4) 0.7340(5) 0.4582(3) 0.0451(18) Uani 1 1 d . . . . .
H03J H 0.544580 0.759691 0.417676 0.054 Uiso 1 1 calc R U . . .
B03G B 0.2923(4) 0.4602(5) 0.0709(3) 0.047(2) Uani 1 1 d . . . . .
H03Z H 0.272476 0.401353 0.054092 0.057 Uiso 1 1 calc R U . . .
B03H B -0.2074(4) 0.5179(6) 0.4618(3) 0.053(2) Uani 1 1 d . . . . .
H03K H -0.228487 0.508049 0.505025 0.064 Uiso 1 1 calc R U . . .
C03I C 0.7234(5) 0.9129(4) 0.0364(4) 0.060(2) Uani 1 1 d . . . . .
B03J B -0.1331(4) 0.5952(5) 0.4470(3) 0.047(2) Uani 1 1 d . . . . .
H03L H -0.103689 0.637679 0.479949 0.056 Uiso 1 1 calc R U . . .
C03K C 0.3214(4) 0.2798(4) 0.1506(4) 0.068(2) Uani 1 1 d . . . . .
H03 H 0.291949 0.291816 0.182039 0.102 Uiso 1 1 calc R U . . .
HQ H 0.318105 0.226204 0.148824 0.102 Uiso 1 1 calc R U . . .
HR H 0.299181 0.293956 0.115879 0.102 Uiso 1 1 calc R U . . .
B03L B 0.2404(6) 0.8404(7) 0.1123(4) 0.068(3) Uani 1 1 d . . . . .
H03M H 0.208991 0.795324 0.081871 0.082 Uiso 1 1 calc R U . . .
B03M B 0.2718(4) 0.6106(6) 0.0716(4) 0.054(2) Uani 1 1 d . . . . .
H13 H 0.239054 0.651194 0.055921 0.064 Uiso 1 1 calc R U . . .
B03N B 1.0240(4) 0.7636(5) 0.0496(4) 0.052(2) Uani 1 1 d . . . . .
H14 H 1.048911 0.795323 0.089093 0.063 Uiso 1 1 calc R U . . .
B03O B 1.0535(5) 0.6832(5) 0.0260(4) 0.055(2) Uani 1 1 d . . . . .
H15 H 1.098531 0.661581 0.049666 0.066 Uiso 1 1 calc R U . . .
B03P B 0.2885(5) 0.8202(6) 0.1744(4) 0.061(2) Uani 1 1 d . . . . .
H03P H 0.289280 0.762406 0.186267 0.074 Uiso 1 1 calc R U . . .
C03Q C 0.6945(6) 0.9646(5) 0.1201(4) 0.077(3) Uani 1 1 d . . . . .
C03R C 0.3845(5) 0.9892(5) 0.5200(4) 0.071(3) Uani 1 1 d . . . . .
H03N H 0.401746 0.946659 0.534488 0.107 Uiso 1 1 calc R U . . .
H03O H 0.379296 1.023029 0.550983 0.107 Uiso 1 1 calc R U . . .
H03Q H 0.423078 1.015560 0.494556 0.107 Uiso 1 1 calc R U . . .
B03S B 1.0468(5) 0.6797(6) -0.0485(4) 0.059(2) Uani 1 1 d . . . . .
H16 H 1.087578 0.656205 -0.074308 0.071 Uiso 1 1 calc R U . . .
B03T B -0.2719(4) 0.4966(6) 0.4008(4) 0.055(2) Uani 1 1 d . . . . .
H03T H -0.336259 0.472965 0.403918 0.066 Uiso 1 1 calc R U . . .
B03U B -0.2286(5) 0.5894(6) 0.4215(4) 0.057(2) Uani 1 1 d . . . . .
H03U H -0.263379 0.627750 0.438350 0.069 Uiso 1 1 calc R U . . .
B03V B 0.2911(4) 0.5381(5) 0.0280(3) 0.050(2) Uani 1 1 d . . . . .
H17 H 0.270926 0.530351 -0.016974 0.060 Uiso 1 1 calc R U . . .
C03W C 0.2512(6) 0.8461(5) 0.5486(3) 0.078(3) Uani 1 1 d . . . . .
H03R H 0.232196 0.794250 0.535048 0.116 Uiso 1 1 calc R U . . .
H03S H 0.218213 0.856725 0.578310 0.116 Uiso 1 1 calc R U . . .
H03V H 0.305253 0.854174 0.563161 0.116 Uiso 1 1 calc R U . . .
B03X B 0.2253(4) 0.5174(6) 0.0837(3) 0.054(2) Uani 1 1 d . . . . .
H18 H 0.160825 0.495834 0.075358 0.065 Uiso 1 1 calc R U . . .
C03Y C 0.7697(7) 1.0089(4) 0.1017(5) 0.081(3) Uani 1 1 d . . . . .
B03Z B 1.0122(6) 0.7582(6) -0.0695(4) 0.064(3) Uani 1 1 d . . . . .
H19 H 1.030139 0.786347 -0.109227 0.077 Uiso 1 1 calc R U . . .
B040 B 0.9167(5) 0.7483(5) -0.0461(3) 0.0478(19) Uani 1 1 d . . . . .
H040 H 0.870352 0.768707 -0.069256 0.057 Uiso 1 1 calc R U . . .
B041 B 0.3682(6) 0.8967(8) 0.1914(4) 0.080(4) Uani 1 1 d . . . . .
H041 H 0.422075 0.889773 0.214415 0.096 Uiso 1 1 calc R U . . .
C042 C 0.7159(7) 0.8666(6) -0.0157(4) 0.092(3) Uani 1 1 d . . . . .
H04A H 0.681047 0.882762 -0.042541 0.138 Uiso 1 1 calc R U . . .
H04B H 0.694143 0.814322 -0.007616 0.138 Uiso 1 1 calc R U . . .
H04E H 0.767499 0.872025 -0.031295 0.138 Uiso 1 1 calc R U . . .
B043 B 0.3438(7) 0.8639(9) 0.1200(4) 0.089(4) Uani 1 1 d . . . . .
H043 H 0.380855 0.834939 0.094865 0.107 Uiso 1 1 calc R U . . .
B044 B 0.9978(5) 0.8093(5) -0.0092(4) 0.055(2) Uani 1 1 d . . . . .
H044 H 1.005175 0.871023 -0.008457 0.066 Uiso 1 1 calc R U . . .
B045 B 0.3322(7) 0.9751(6) 0.2033(4) 0.086(4) Uani 1 1 d . . . . .
H045 H 0.363189 1.020041 0.234030 0.103 Uiso 1 1 calc R U . . .
B046 B 0.8611(6) 0.9620(6) 0.3389(5) 0.076(3) Uani 1 1 d . . . . .
H046 H 0.888972 1.010807 0.314044 0.091 Uiso 1 1 calc R U . . .
B047 B 0.2270(7) 0.9491(5) 0.1950(4) 0.068(3) Uani 1 1 d . . . . .
H047 H 0.187580 0.975446 0.219941 0.082 Uiso 1 1 calc R U . . .
C048 C 0.5874(5) 0.8559(6) 0.0735(5) 0.104(4) Uani 1 1 d . . . . .
H04F H 0.590738 0.807834 0.056912 0.155 Uiso 1 1 calc R U . . .
H04H H 0.552659 0.877390 0.050134 0.155 Uiso 1 1 calc R U . . .
H04I H 0.566663 0.848677 0.110829 0.155 Uiso 1 1 calc R U . . .
B049 B 0.7554(7) 0.9346(6) 0.3497(5) 0.075(3) Uani 1 1 d . . . . .
H049 H 0.713104 0.965079 0.332039 0.090 Uiso 1 1 calc R U . . .
B04A B 0.8930(6) 0.8794(7) 0.3383(4) 0.074(3) Uani 1 1 d . . . . .
H04K H 0.942924 0.874092 0.312148 0.089 Uiso 1 1 calc R U . . .
B04B B 0.8239(8) 0.9705(7) 0.4066(5) 0.093(4) Uani 1 1 d . . . . .
H04L H 0.828181 1.026722 0.426710 0.111 Uiso 1 1 calc R U . . .
B04C B 0.2038(7) 0.9179(7) 0.1250(4) 0.078(3) Uani 1 1 d . . . . .
H04C H 0.148461 0.923552 0.103325 0.093 Uiso 1 1 calc R U . . .
B04D B 0.2922(7) 0.9287(7) 0.0914(4) 0.088(4) Uani 1 1 d . . . . .
H04D H 0.296884 0.943887 0.046727 0.105 Uiso 1 1 calc R U . . .
B04E B 0.8145(6) 0.8036(7) 0.3468(4) 0.069(3) Uani 1 1 d . . . . .
H04M H 0.810951 0.747874 0.326099 0.083 Uiso 1 1 calc R U . . .
B04F B 0.7411(6) 0.8930(7) 0.4140(4) 0.072(3) Uani 1 1 d . . . . .
H04N H 0.688862 0.896764 0.438238 0.087 Uiso 1 1 calc R U . . .
B04G B 0.3711(8) 0.9608(8) 0.1388(5) 0.105(5) Uani 1 1 d . . . . .
H04G H 0.428116 0.996038 0.125704 0.126 Uiso 1 1 calc R U . . .
C04H C 0.8154(9) 1.0767(5) 0.1335(6) 0.143(6) Uani 1 1 d . . . . .
H04O H 0.868078 1.091339 0.119263 0.215 Uiso 1 1 calc R U . . .
H04P H 0.818851 1.065934 0.173076 0.215 Uiso 1 1 calc R U . . .
H04Q H 0.789193 1.117341 0.129184 0.215 Uiso 1 1 calc R U . . .
B04I B 0.7780(7) 0.8127(7) 0.4140(4) 0.076(3) Uani 1 1 d . . . . .
H04R H 0.750499 0.763436 0.438585 0.091 Uiso 1 1 calc R U . . .
B04J B 0.2844(10) 0.9948(7) 0.1415(5) 0.104(5) Uani 1 1 d . . . . .
H04J H 0.283411 1.053022 0.130772 0.125 Uiso 1 1 calc R U . . .
B04K B 0.9058(6) 0.9348(7) 0.3995(5) 0.083(4) Uani 1 1 d . . . . .
H04S H 0.965081 0.967105 0.415128 0.099 Uiso 1 1 calc R U . . .
B04L B 0.8780(7) 0.8379(8) 0.4042(5) 0.091(4) Uani 1 1 d . . . . .
H04T H 0.918033 0.805338 0.422277 0.109 Uiso 1 1 calc R U . . .
C04M C 0.8553(6) 1.0066(6) 0.0178(5) 0.101(4) Uani 1 1 d . . . . .
H04U H 0.859981 0.968764 -0.010417 0.152 Uiso 1 1 calc R U . . .
H04V H 0.902752 1.019274 0.042017 0.152 Uiso 1 1 calc R U . . .
H04W H 0.848567 1.051249 -0.000586 0.152 Uiso 1 1 calc R U . . .
B04N B 0.8348(7) 0.8946(8) 0.4469(5) 0.091(4) Uani 1 1 d . . . . .
H04X H 0.845578 0.900607 0.493193 0.110 Uiso 1 1 calc R U . . .
C04O C 0.6529(9) 0.9814(9) 0.1710(6) 0.145(6) Uani 1 1 d . . . . .
H04Y H 0.615588 0.936084 0.181512 0.217 Uiso 1 1 calc R U . . .
HS H 0.624884 1.019763 0.162730 0.217 Uiso 1 1 calc R U . . .
HT H 0.691200 0.999275 0.201815 0.217 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Ir01 Ir05 2.8614(4) . ?
Ir01 S007 2.3235(14) . ?
Ir01 C00K 2.277(6) . ?
Ir01 C00L 2.202(6) . ?
Ir01 C00P 2.186(6) . ?
Ir01 C00U 2.184(6) . ?
Ir01 C00Y 2.252(6) . ?
Ir01 B02R 2.122(7) . ?
Ir02 Ir04 2.8612(4) . ?
Ir02 S008 2.3251(14) . ?
Ir02 C00S 2.210(6) . ?
Ir02 C00X 2.183(6) . ?
Ir02 C011 2.272(6) . ?
Ir02 C019 2.242(6) . ?
Ir02 C01Z 2.188(6) . ?
Ir02 B026 2.115(7) . ?
Ir03 S009 2.3382(15) . ?
Ir03 S00A 2.3315(17) . ?
Ir03 C010 2.237(6) . ?
Ir03 C01C 2.197(6) . ?
Ir03 C01K 2.237(7) . ?
Ir03 C020 2.192(6) . ?
Ir03 C024 2.201(7) . ?
Ir03 C025 2.181(6) . ?
Ir04 S008 2.3070(15) . ?
Ir04 C01A 2.292(6) . ?
Ir04 C01B 2.269(7) . ?
Ir04 B01G 2.110(8) . ?
Ir04 C01I 2.202(6) . ?
Ir04 C01J 2.172(6) . ?
Ir04 C01T 2.191(7) . ?
Ir05 S007 2.3118(14) . ?
Ir05 C00R 2.173(7) . ?
Ir05 C00W 2.204(7) . ?
Ir05 C015 2.211(7) . ?
Ir05 C01D 2.304(7) . ?
Ir05 C01O 2.268(7) . ?
Ir05 B02F 2.095(8) . ?
Ir06 S00B 2.3420(18) . ?
Ir06 S00C 2.3395(19) . ?
Ir06 C00O 2.230(6) . ?
Ir06 C037 2.253(8) . ?
Ir06 C039 2.196(8) . ?
Ir06 C03I 2.210(7) . ?
Ir06 C03Q 2.226(9) . ?
Ir06 C03Y 2.203(8) . ?
S007 C018 1.791(6) . ?
S008 C00V 1.770(6) . ?
S009 C01N 1.723(6) . ?
S00A C021 1.704(7) . ?
S00B C01F 1.734(6) . ?
S00C C01P 1.698(7) . ?
N00D C016 1.416(7) . ?
N00D C018 1.269(8) . ?
N00E C00Q 1.392(7) . ?
N00E C01N 1.295(7) . ?
N00F C00V 1.267(8) . ?
N00F C01U 1.410(7) . ?
N00G C00J 1.380(8) . ?
N00G C01F 1.296(7) . ?
N00H C013 1.384(8) . ?
N00H C01P 1.306(8) . ?
N00I C01R 1.395(8) . ?
N00I C021 1.313(8) . ?
C00J C00O 1.434(9) . ?
C00J C00Z 1.380(8) . ?
C00K C00L 1.434(9) . ?
C00K C00Y 1.411(9) . ?
C00K C017 1.520(9) . ?
C00L C00U 1.426(10) . ?
C00L C01X 1.518(9) . ?
C00M H00M 1.1200 . ?
C00M C01H 1.637(8) . ?
C00M B02C 1.701(9) . ?
C00M B02D 1.695(9) . ?
C00M B02O 1.727(9) . ?
C00M B034 1.716(9) . ?
C00N C00V 1.500(8) . ?
C00N B01G 1.707(10) . ?
C00N C01Y 1.642(9) . ?
C00N B026 1.734(9) . ?
C00N B02I 1.670(9) . ?
C00N B02S 1.714(9) . ?
C00O H00O 1.03(7) . ?
C00O C013 1.429(9) . ?
C00P C00U 1.447(9) . ?
C00P C00Y 1.437(9) . ?
C00P C01V 1.500(9) . ?
C00Q C010 1.435(9) . ?
C00Q C01M 1.389(8) . ?
C00R C00W 1.453(10) . ?
C00R C015 1.434(10) . ?
C00R C02U 1.500(10) . ?
C00S C00X 1.442(10) . ?
C00S C011 1.438(9) . ?
C00S C022 1.495(9) . ?
C00T H00T 1.1200 . ?
C00T C01E 1.650(8) . ?
C00T B035 1.712(9) . ?
C00T B036 1.699(11) . ?
C00T B038 1.686(10) . ?
C00T B040 1.714(10) . ?
C00U C02G 1.510(9) . ?
C00W C01O 1.440(10) . ?
C00W C02T 1.502(10) . ?
C00X C01Z 1.439(9) . ?
C00X C02K 1.505(9) . ?
C00Y C01W 1.497(8) . ?
C00Z H00Z 0.9500 . ?
C00Z C01U 1.398(9) . ?
C010 H010 0.87(7) . ?
C010 C01R 1.425(9) . ?
C011 C014 1.504(9) . ?
C011 C019 1.400(9) . ?
C012 C018 1.490(7) . ?
C012 B02F 1.723(10) . ?
C012 C02P 1.650(9) . ?
C012 B02R 1.741(9) . ?
C012 B02W 1.674(10) . ?
C012 B03J 1.720(10) . ?
C013 C01S 1.388(9) . ?
C014 H01N 0.9800 . ?
C014 H01O 0.9800 . ?
C014 H01P 0.9800 . ?
C015 C01D 1.449(10) . ?
C015 C027 1.496(10) . ?
C016 C01M 1.388(8) . ?
C016 C01Q 1.390(9) . ?
C017 H01A 0.9800 . ?
C017 H01B 0.9800 . ?
C017 H01C 0.9800 . ?
C019 C01Z 1.445(9) . ?
C019 C023 1.520(8) . ?
C01A C01B 1.396(10) . ?
C01A C01I 1.441(9) . ?
C01A C02L 1.504(9) . ?
C01B C01T 1.456(10) . ?
C01B C02H 1.508(10) . ?
C01C C01K 1.421(10) . ?
C01C C020 1.437(10) . ?
C01C C03W 1.502(10) . ?
C01D C01O 1.409(11) . ?
C01D C02M 1.492(10) . ?
C01E C01F 1.500(9) . ?
C01E B035 1.723(10) . ?
C01E B03N 1.703(9) . ?
C01E B040 1.741(10) . ?
C01E B044 1.701(10) . ?
B01G B026 1.784(11) . ?
B01G B02I 1.783(11) . ?
B01G B02V 1.792(10) . ?
B01G B03G 1.806(10) . ?
C01H C01N 1.516(8) . ?
C01H B02O 1.714(9) . ?
C01H B034 1.727(10) . ?
C01H B03A 1.706(9) . ?
C01H B03F 1.706(9) . ?
C01I C01J 1.451(9) . ?
C01I C02B 1.486(10) . ?
C01J C01T 1.441(10) . ?
C01J C03D 1.503(9) . ?
C01K C024 1.443(10) . ?
C01K C031 1.515(10) . ?
C01L C021 1.508(9) . ?
C01L C029 1.629(9) . ?
C01L B03P 1.727(13) . ?
C01L B041 1.713(12) . ?
C01L B045 1.689(11) . ?
C01L B047 1.706(12) . ?
C01M H01M 0.9500 . ?
C01O C033 1.495(10) . ?
C01P C028 1.546(10) . ?
C01Q H01Q 0.9500 . ?
C01Q C01R 1.384(8) . ?
C01S H01S 0.9500 . ?
C01S C01U 1.386(9) . ?
C01T C03K 1.488(10) . ?
C01V H01D 0.9800 . ?
C01V H01E 0.9800 . ?
C01V H01F 0.9800 . ?
C01W H01G 0.9800 . ?
C01W H01H 0.9800 . ?
C01W H01I 0.9800 . ?
C01X H01J 0.9800 . ?
C01X H01K 0.9800 . ?
C01X H01L 0.9800 . ?
C01Y H01Y 1.1200 . ?
C01Y B026 1.785(11) . ?
C01Y B02S 1.755(11) . ?
C01Y B02X 1.697(11) . ?
C01Y B03M 1.723(10) . ?
C01Z C02E 1.498(10) . ?
C020 C025 1.410(10) . ?
C020 C03R 1.498(10) . ?
C022 H1 0.9800 . ?
C022 H 0.9800 . ?
C022 HA 0.9800 . ?
C023 H2 0.9800 . ?
C023 HB 0.9800 . ?
C023 HC 0.9800 . ?
C024 C025 1.438(9) . ?
C024 C02J 1.508(10) . ?
C025 C02Y 1.512(10) . ?
B026 B02V 1.780(10) . ?
B026 B02X 1.814(10) . ?
C027 H02A 0.9800 . ?
C027 H02B 0.9800 . ?
C027 H02C 0.9800 . ?
C028 C02Z 1.640(10) . ?
C028 B046 1.711(11) . ?
C028 B049 1.725(11) . ?
C028 B04A 1.691(12) . ?
C028 B04E 1.722(14) . ?
C029 H029 1.1200 . ?
C029 B03L 1.665(12) . ?
C029 B03P 1.704(12) . ?
C029 B047 1.703(13) . ?
C029 B04C 1.682(12) . ?
B02A H02D 1.1200 . ?
B02A B02C 1.778(11) . ?
B02A B02D 1.787(11) . ?
B02A B02N 1.781(12) . ?
B02A B02Q 1.801(12) . ?
B02A B032 1.799(12) . ?
C02B H3 0.9800 . ?
C02B HD 0.9800 . ?
C02B HE 0.9800 . ?
B02C H02E 1.1200 . ?
B02C B02D 1.790(11) . ?
B02C B02O 1.796(11) . ?
B02C B032 1.777(11) . ?
B02D H02F 1.1200 . ?
B02D B02Q 1.791(11) . ?
B02D B034 1.774(11) . ?
C02E H4 0.9800 . ?
C02E HF 0.9800 . ?
C02E HG 0.9800 . ?
B02F B02R 1.813(11) . ?
B02F B02W 1.805(10) . ?
B02F B030 1.794(9) . ?
B02F B03C 1.796(10) . ?
C02G H02G 0.9800 . ?
C02G H02H 0.9800 . ?
C02G H02I 0.9800 . ?
C02H H5 0.9800 . ?
C02H HH 0.9800 . ?
C02H HI 0.9800 . ?
B02I H6 1.1200 . ?
B02I B02S 1.775(12) . ?
B02I B03G 1.765(10) . ?
B02I B03V 1.778(10) . ?
C02J H02J 0.9800 . ?
C02J H02K 0.9800 . ?
C02J H02L 0.9800 . ?
C02K H7 0.9800 . ?
C02K HJ 0.9800 . ?
C02K HK 0.9800 . ?
C02L H8 0.9800 . ?
C02L HL 0.9800 . ?
C02L HM 0.9800 . ?
C02M H02M 0.9800 . ?
C02M H02N 0.9800 . ?
C02M H02O 0.9800 . ?
B02N H02P 1.1200 . ?
B02N B02Q 1.802(12) . ?
B02N B032 1.782(13) . ?
B02N B03A 1.761(12) . ?
B02N B03F 1.787(11) . ?
B02O H02Q 1.1200 . ?
B02O B032 1.780(11) . ?
B02O B03A 1.780(11) . ?
C02P H02R 1.1200 . ?
C02P B02R 1.773(11) . ?
C02P B03E 1.697(10) . ?
C02P B03J 1.751(11) . ?
C02P B03U 1.722(10) . ?
B02Q H02S 1.1200 . ?
B02Q B034 1.783(11) . ?
B02Q B03F 1.801(12) . ?
B02R B030 1.783(10) . ?
B02R B03E 1.793(10) . ?
B02S H9 1.1200 . ?
B02S B03M 1.783(11) . ?
B02S B03V 1.753(11) . ?
C02T H02T 0.9800 . ?
C02T H02U 0.9800 . ?
C02T H02V 0.9800 . ?
C02U H02W 0.9800 . ?
C02U H02X 0.9800 . ?
C02U H02Y 0.9800 . ?
B02V H10 1.1200 . ?
B02V B02X 1.770(13) . ?
B02V B03G 1.783(11) . ?
B02V B03X 1.777(11) . ?
B02W H02Z 1.1200 . ?
B02W B03C 1.756(10) . ?
B02W B03H 1.773(10) . ?
B02W B03J 1.777(13) . ?
B02X H11 1.1200 . ?
B02X B03M 1.788(12) . ?
B02X B03X 1.771(11) . ?
C02Y H02 0.9800 . ?
C02Y HN 0.9800 . ?
C02Y HO 0.9800 . ?
C02Z H12 1.1200 . ?
C02Z B049 1.691(14) . ?
C02Z B04E 1.682(13) . ?
C02Z B04F 1.673(12) . ?
C02Z B04I 1.716(13) . ?
B030 H030 1.1200 . ?
B030 B03C 1.806(11) . ?
B030 B03E 1.772(13) . ?
B030 B03T 1.783(12) . ?
C031 H03A 0.9800 . ?
C031 H03B 0.9800 . ?
C031 H03C 0.9800 . ?
B032 H032 1.1200 . ?
B032 B03A 1.780(12) . ?
C033 H03D 0.9800 . ?
C033 H03E 0.9800 . ?
C033 H03F 0.9800 . ?
B034 H034 1.1200 . ?
B034 B03F 1.781(11) . ?
B035 H035 1.1200 . ?
B035 B036 1.777(12) . ?
B035 B03N 1.783(11) . ?
B035 B03O 1.757(11) . ?
B036 H036 1.1200 . ?
B036 B038 1.762(12) . ?
B036 B03O 1.763(11) . ?
B036 B03S 1.762(12) . ?
C037 C03I 1.415(12) . ?
C037 C03Q 1.433(13) . ?
C037 C048 1.494(12) . ?
B038 H038 1.1200 . ?
B038 B03S 1.755(12) . ?
B038 B03Z 1.785(12) . ?
B038 B040 1.791(12) . ?
C039 C03I 1.459(11) . ?
C039 C03Y 1.402(13) . ?
C039 C04M 1.471(12) . ?
B03A H03G 1.1200 . ?
B03A B03F 1.770(12) . ?
B03B H03W 1.1200 . ?
B03B B03N 1.754(12) . ?
B03B B03O 1.795(14) . ?
B03B B03S 1.800(13) . ?
B03B B03Z 1.771(14) . ?
B03B B044 1.758(13) . ?
B03C H03H 1.1200 . ?
B03C B03H 1.801(13) . ?
B03C B03T 1.815(12) . ?
C03D H03X 0.9800 . ?
C03D H03Y 0.9800 . ?
C03D HP 0.9800 . ?
B03E H03I 1.1200 . ?
B03E B03T 1.764(12) . ?
B03E B03U 1.801(12) . ?
B03F H03J 1.1200 . ?
B03G H03Z 1.1200 . ?
B03G B03V 1.805(13) . ?
B03G B03X 1.794(12) . ?
B03H H03K 1.1200 . ?
B03H B03J 1.748(11) . ?
B03H B03T 1.800(12) . ?
B03H B03U 1.768(14) . ?
C03I C042 1.479(13) . ?
B03J H03L 1.1200 . ?
B03J B03U 1.751(11) . ?
C03K H03 0.9800 . ?
C03K HQ 0.9800 . ?
C03K HR 0.9800 . ?
B03L H03M 1.1200 . ?
B03L B03P 1.788(13) . ?
B03L B043 1.773(15) . ?
B03L B04C 1.733(17) . ?
B03L B04D 1.767(16) . ?
B03M H13 1.1200 . ?
B03M B03V 1.782(13) . ?
B03M B03X 1.762(14) . ?
B03N H14 1.1200 . ?
B03N B03O 1.775(13) . ?
B03N B044 1.774(13) . ?
B03O H15 1.1200 . ?
B03O B03S 1.790(12) . ?
B03P H03P 1.1200 . ?
B03P B041 1.767(15) . ?
B03P B043 1.757(14) . ?
C03Q C03Y 1.471(14) . ?
C03Q C04O 1.509(15) . ?
C03R H03N 0.9800 . ?
C03R H03O 0.9800 . ?
C03R H03Q 0.9800 . ?
B03S H16 1.1200 . ?
B03S B03Z 1.786(15) . ?
B03T H03T 1.1200 . ?
B03T B03U 1.755(14) . ?
B03U H03U 1.1200 . ?
B03V H17 1.1200 . ?
B03V B03X 1.790(11) . ?
C03W H03R 0.9800 . ?
C03W H03S 0.9800 . ?
C03W H03V 0.9800 . ?
B03X H18 1.1200 . ?
C03Y C04H 1.492(13) . ?
B03Z H19 1.1200 . ?
B03Z B040 1.762(12) . ?
B03Z B044 1.765(13) . ?
B040 H040 1.1200 . ?
B040 B044 1.787(12) . ?
B041 H041 1.1200 . ?
B041 B043 1.806(15) . ?
B041 B045 1.739(19) . ?
B041 B04G 1.755(16) . ?
C042 H04A 0.9800 . ?
C042 H04B 0.9800 . ?
C042 H04E 0.9800 . ?
B043 H043 1.1200 . ?
B043 B04D 1.810(18) . ?
B043 B04G 1.78(2) . ?
B044 H044 1.1200 . ?
B045 H045 1.1200 . ?
B045 B047 1.805(16) . ?
B045 B04G 1.753(18) . ?
B045 B04J 1.778(16) . ?
B046 H046 1.1200 . ?
B046 B049 1.841(15) . ?
B046 B04A 1.753(17) . ?
B046 B04B 1.790(16) . ?
B046 B04K 1.778(17) . ?
B047 H047 1.1200 . ?
B047 B04C 1.765(15) . ?
B047 B04J 1.771(16) . ?
C048 H04F 0.9800 . ?
C048 H04H 0.9800 . ?
C048 H04I 0.9800 . ?
B049 H049 1.1200 . ?
B049 B04B 1.796(17) . ?
B049 B04F 1.747(16) . ?
B04A H04K 1.1200 . ?
B04A B04E 1.741(16) . ?
B04A B04K 1.744(13) . ?
B04A B04L 1.781(18) . ?
B04B H04L 1.1200 . ?
B04B B04F 1.802(18) . ?
B04B B04K 1.738(17) . ?
B04B B04N 1.78(2) . ?
B04C H04C 1.1200 . ?
B04C B04D 1.750(17) . ?
B04C B04J 1.779(18) . ?
B04D H04D 1.1200 . ?
B04D B04G 1.746(16) . ?
B04D B04J 1.723(19) . ?
B04E H04M 1.1200 . ?
B04E B04I 1.776(14) . ?
B04E B04L 1.751(14) . ?
B04F H04N 1.1200 . ?
B04F B04I 1.762(16) . ?
B04F B04N 1.802(16) . ?
B04G H04G 1.1200 . ?
B04G B04J 1.79(2) . ?
C04H H04O 0.9800 . ?
C04H H04P 0.9800 . ?
C04H H04Q 0.9800 . ?
B04I H04R 1.1200 . ?
B04I B04L 1.739(17) . ?
B04I B04N 1.755(16) . ?
B04J H04J 1.1200 . ?
B04K H04S 1.1200 . ?
B04K B04L 1.751(19) . ?
B04K B04N 1.764(18) . ?
B04L H04T 1.1200 . ?
B04L B04N 1.762(17) . ?
C04M H04U 0.9800 . ?
C04M H04V 0.9800 . ?
C04M H04W 0.9800 . ?
B04N H04X 1.1200 . ?
C04O H04Y 0.9800 . ?
C04O HS 0.9800 . ?
C04O HT 0.9800 . ?

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
S007 Ir01 Ir05 51.70(4) . . ?
C00K Ir01 Ir05 114.45(17) . . ?
C00K Ir01 S007 114.00(17) . . ?
C00L Ir01 Ir05 121.58(18) . . ?
C00L Ir01 S007 149.83(18) . . ?
C00L Ir01 C00K 37.3(2) . . ?
C00L Ir01 C00Y 62.1(2) . . ?
C00P Ir01 Ir05 168.42(16) . . ?
C00P Ir01 S007 118.08(17) . . ?
C00P Ir01 C00K 62.5(2) . . ?
C00P Ir01 C00L 63.7(2) . . ?
C00P Ir01 C00Y 37.8(2) . . ?
C00U Ir01 Ir05 151.72(17) . . ?
C00U Ir01 S007 156.58(17) . . ?
C00U Ir01 C00K 62.7(2) . . ?
C00U Ir01 C00L 37.9(2) . . ?
C00U Ir01 C00P 38.7(2) . . ?
C00U Ir01 C00Y 63.1(2) . . ?
C00Y Ir01 Ir05 133.10(16) . . ?
C00Y Ir01 S007 99.95(16) . . ?
C00Y Ir01 C00K 36.3(2) . . ?
B02R Ir01 Ir05 74.5(2) . . ?
B02R Ir01 S007 85.09(18) . . ?
B02R Ir01 C00K 160.7(2) . . ?
B02R Ir01 C00L 123.4(2) . . ?
B02R Ir01 C00P 112.1(3) . . ?
B02R Ir01 C00U 101.0(3) . . ?
B02R Ir01 C00Y 147.6(3) . . ?
S008 Ir02 Ir04 51.57(4) . . ?
C00S Ir02 Ir04 120.21(18) . . ?
C00S Ir02 S008 147.97(18) . . ?
C00S Ir02 C011 37.4(2) . . ?
C00S Ir02 C019 62.1(2) . . ?
C00X Ir02 Ir04 150.52(18) . . ?
C00X Ir02 S008 157.86(18) . . ?
C00X Ir02 C00S 38.3(2) . . ?
C00X Ir02 C011 63.0(2) . . ?
C00X Ir02 C019 63.0(2) . . ?
C00X Ir02 C01Z 38.4(2) . . ?
C011 Ir02 Ir04 113.93(17) . . ?
C011 Ir02 S008 112.55(17) . . ?
C019 Ir02 Ir04 133.53(17) . . ?
C019 Ir02 S008 100.04(16) . . ?
C019 Ir02 C011 36.1(2) . . ?
C01Z Ir02 Ir04 169.70(17) . . ?
C01Z Ir02 S008 119.47(17) . . ?
C01Z Ir02 C00S 63.9(2) . . ?
C01Z Ir02 C011 62.8(2) . . ?
C01Z Ir02 C019 38.0(2) . . ?
B026 Ir02 Ir04 74.7(2) . . ?
B026 Ir02 S008 85.62(19) . . ?
B026 Ir02 C00S 124.3(3) . . ?
B026 Ir02 C00X 101.2(3) . . ?
B026 Ir02 C011 161.6(2) . . ?
B026 Ir02 C019 147.1(3) . . ?
B026 Ir02 C01Z 111.5(3) . . ?
S00A Ir03 S009 91.66(6) . . ?
C010 Ir03 S009 80.27(17) . . ?
C010 Ir03 S00A 82.12(17) . . ?
C010 Ir03 C01K 107.9(2) . . ?
C01C Ir03 S009 98.9(2) . . ?
C01C Ir03 S00A 156.85(18) . . ?
C01C Ir03 C010 119.9(2) . . ?
C01C Ir03 C01K 37.4(3) . . ?
C01C Ir03 C024 64.1(3) . . ?
C01K Ir03 S009 134.4(2) . . ?
C01K Ir03 S00A 133.5(2) . . ?
C020 Ir03 S009 90.69(18) . . ?
C020 Ir03 S00A 121.8(2) . . ?
C020 Ir03 C010 154.9(3) . . ?
C020 Ir03 C01C 38.2(3) . . ?
C020 Ir03 C01K 62.7(3) . . ?
C020 Ir03 C024 63.9(3) . . ?
C024 Ir03 S009 154.34(18) . . ?
C024 Ir03 S00A 98.4(2) . . ?
C024 Ir03 C010 124.3(2) . . ?
C024 Ir03 C01K 37.9(3) . . ?
C025 Ir03 S009 117.96(18) . . ?
C025 Ir03 S00A 93.4(2) . . ?
C025 Ir03 C010 161.5(2) . . ?
C025 Ir03 C01C 63.5(3) . . ?
C025 Ir03 C01K 62.7(3) . . ?
C025 Ir03 C020 37.6(3) . . ?
C025 Ir03 C024 38.3(2) . . ?
S008 Ir04 Ir02 52.14(4) . . ?
C01A Ir04 Ir02 121.04(16) . . ?
C01A Ir04 S008 105.96(17) . . ?
C01B Ir04 Ir02 117.50(18) . . ?
C01B Ir04 S008 135.10(19) . . ?
C01B Ir04 C01A 35.6(3) . . ?
B01G Ir04 Ir02 75.7(2) . . ?
B01G Ir04 S008 85.0(2) . . ?
B01G Ir04 C01A 163.2(3) . . ?
B01G Ir04 C01B 138.6(3) . . ?
B01G Ir04 C01I 128.7(3) . . ?
B01G Ir04 C01J 100.1(3) . . ?
B01G Ir04 C01T 104.8(3) . . ?
C01I Ir04 Ir02 146.95(17) . . ?
C01I Ir04 S008 102.90(18) . . ?
C01I Ir04 C01A 37.3(2) . . ?
C01I Ir04 C01B 61.9(3) . . ?
C01J Ir04 Ir02 174.29(17) . . ?
C01J Ir04 S008 132.05(19) . . ?
C01J Ir04 C01A 63.1(2) . . ?
C01J Ir04 C01B 63.0(3) . . ?
C01J Ir04 C01I 38.7(2) . . ?
C01J Ir04 C01T 38.6(3) . . ?
C01T Ir04 Ir02 138.16(19) . . ?
C01T Ir04 S008 166.9(2) . . ?
C01T Ir04 C01A 62.6(3) . . ?
C01T Ir04 C01B 38.1(2) . . ?
C01T Ir04 C01I 64.2(3) . . ?
S007 Ir05 Ir01 52.06(4) . . ?
C00R Ir05 Ir01 174.2(2) . . ?
C00R Ir05 S007 132.0(2) . . ?
C00R Ir05 C00W 38.8(3) . . ?
C00R Ir05 C015 38.2(3) . . ?
C00R Ir05 C01D 63.0(3) . . ?
C00R Ir05 C01O 62.8(3) . . ?
C00W Ir05 Ir01 138.14(19) . . ?
C00W Ir05 S007 167.2(2) . . ?
C00W Ir05 C015 63.8(3) . . ?
C00W Ir05 C01D 62.5(3) . . ?
C00W Ir05 C01O 37.5(3) . . ?
C015 Ir05 Ir01 147.64(19) . . ?
C015 Ir05 S007 103.7(2) . . ?
C015 Ir05 C01D 37.4(2) . . ?
C015 Ir05 C01O 61.7(3) . . ?
C01D Ir05 Ir01 121.42(17) . . ?
C01D Ir05 S007 106.55(19) . . ?
C01O Ir05 Ir01 117.95(18) . . ?
C01O Ir05 S007 136.1(2) . . ?
C01O Ir05 C01D 35.9(3) . . ?
B02F Ir05 Ir01 76.7(2) . . ?
B02F Ir05 S007 85.7(2) . . ?
B02F Ir05 C00R 98.8(3) . . ?
B02F Ir05 C00W 103.5(3) . . ?
B02F Ir05 C015 127.5(3) . . ?
B02F Ir05 C01D 161.8(3) . . ?
B02F Ir05 C01O 137.1(3) . . ?
S00C Ir06 S00B 91.96(7) . . ?
C00O Ir06 S00B 80.53(17) . . ?
C00O Ir06 S00C 81.45(16) . . ?
C00O Ir06 C037 107.9(3) . . ?
C037 Ir06 S00B 136.4(3) . . ?
C037 Ir06 S00C 131.2(3) . . ?
C039 Ir06 S00B 90.7(2) . . ?
C039 Ir06 S00C 123.3(2) . . ?
C039 Ir06 C00O 154.3(3) . . ?
C039 Ir06 C037 62.9(3) . . ?
C039 Ir06 C03I 38.7(3) . . ?
C039 Ir06 C03Q 63.8(4) . . ?
C039 Ir06 C03Y 37.2(4) . . ?
C03I Ir06 S00B 100.9(2) . . ?
C03I Ir06 S00C 157.1(2) . . ?
C03I Ir06 C00O 119.2(3) . . ?
C03I Ir06 C037 37.0(3) . . ?
C03I Ir06 C03Q 63.2(4) . . ?
C03Q Ir06 S00B 154.0(3) . . ?
C03Q Ir06 S00C 97.5(3) . . ?
C03Q Ir06 C00O 124.8(3) . . ?
C03Q Ir06 C037 37.3(3) . . ?
C03Y Ir06 S00B 116.6(3) . . ?
C03Y Ir06 S00C 94.1(3) . . ?
C03Y Ir06 C00O 162.6(4) . . ?
C03Y Ir06 C037 62.8(3) . . ?
C03Y Ir06 C03I 63.2(3) . . ?
C03Y Ir06 C03Q 38.8(4) . . ?
Ir05 S007 Ir01 76.24(4) . . ?
C018 S007 Ir01 99.54(19) . . ?
C018 S007 Ir05 105.35(19) . . ?
Ir04 S008 Ir02 76.30(4) . . ?
C00V S008 Ir02 98.77(19) . . ?
C00V S008 Ir04 105.8(2) . . ?
C01N S009 Ir03 105.8(2) . . ?
C021 S00A Ir03 107.6(2) . . ?
C01F S00B Ir06 107.3(2) . . ?
C01P S00C Ir06 106.5(2) . . ?
C018 N00D C016 120.0(5) . . ?
C01N N00E C00Q 121.0(5) . . ?
C00V N00F C01U 121.1(5) . . ?
C01F N00G C00J 120.9(5) . . ?
C01P N00H C013 120.8(6) . . ?
C021 N00I C01R 121.8(5) . . ?
N00G C00J C00O 122.5(5) . . ?
C00Z C00J N00G 117.5(6) . . ?
C00Z C00J C00O 119.7(6) . . ?
C00L C00K Ir01 68.5(3) . . ?
C00L C00K C017 126.8(6) . . ?
C00Y C00K Ir01 70.9(3) . . ?
C00Y C00K C00L 107.7(6) . . ?
C00Y C00K C017 125.4(6) . . ?
C017 C00K Ir01 128.1(5) . . ?
C00K C00L Ir01 74.2(3) . . ?
C00K C00L C01X 124.9(6) . . ?
C00U C00L Ir01 70.3(3) . . ?
C00U C00L C00K 108.7(5) . . ?
C00U C00L C01X 126.2(6) . . ?
C01X C00L Ir01 126.3(5) . . ?
C01H C00M H00M 120.9 . . ?
C01H C00M B02C 111.7(5) . . ?
C01H C00M B02D 112.1(5) . . ?
C01H C00M B02O 61.2(4) . . ?
C01H C00M B034 61.9(4) . . ?
B02C C00M H00M 117.8 . . ?
B02C C00M B02O 63.2(4) . . ?
B02C C00M B034 115.4(5) . . ?
B02D C00M H00M 117.5 . . ?
B02D C00M B02C 63.6(4) . . ?
B02D C00M B02O 116.1(5) . . ?
B02D C00M B034 62.7(4) . . ?
B02O C00M H00M 117.0 . . ?
B034 C00M H00M 117.2 . . ?
B034 C00M B02O 115.2(5) . . ?
C00V C00N B01G 115.5(5) . . ?
C00V C00N C01Y 116.8(5) . . ?
C00V C00N B026 110.3(5) . . ?
C00V C00N B02I 122.0(5) . . ?
C00V C00N B02S 119.6(5) . . ?
B01G C00N B026 62.4(4) . . ?
B01G C00N B02S 117.4(5) . . ?
C01Y C00N B01G 114.1(5) . . ?
C01Y C00N B026 63.8(4) . . ?
C01Y C00N B02I 113.7(5) . . ?
C01Y C00N B02S 63.0(4) . . ?
B02I C00N B01G 63.7(4) . . ?
B02I C00N B026 116.3(5) . . ?
B02I C00N B02S 63.3(4) . . ?
B02S C00N B026 118.6(5) . . ?
Ir06 C00O H00O 103(4) . . ?
C00J C00O Ir06 101.6(4) . . ?
C00J C00O H00O 115(4) . . ?
C013 C00O Ir06 99.7(4) . . ?
C013 C00O C00J 119.3(5) . . ?
C013 C00O H00O 114(4) . . ?
C00U C00P Ir01 70.6(3) . . ?
C00U C00P C01V 125.7(6) . . ?
C00Y C00P Ir01 73.6(4) . . ?
C00Y C00P C00U 107.2(6) . . ?
C00Y C00P C01V 126.1(6) . . ?
C01V C00P Ir01 130.1(5) . . ?
N00E C00Q C010 121.9(5) . . ?
C01M C00Q N00E 117.9(5) . . ?
C01M C00Q C010 119.8(5) . . ?
C00W C00R Ir05 71.8(4) . . ?
C00W C00R C02U 126.1(7) . . ?
C015 C00R Ir05 72.4(4) . . ?
C015 C00R C00W 107.7(6) . . ?
C015 C00R C02U 125.8(7) . . ?
C02U C00R Ir05 127.2(6) . . ?
C00X C00S Ir02 69.8(3) . . ?
C00X C00S C022 126.4(6) . . ?
C011 C00S Ir02 73.6(3) . . ?
C011 C00S C00X 107.9(6) . . ?
C011 C00S C022 125.4(7) . . ?
C022 C00S Ir02 126.6(5) . . ?
C01E C00T H00T 120.2 . . ?
C01E C00T B035 61.6(4) . . ?
C01E C00T B036 111.9(5) . . ?
C01E C00T B038 112.7(5) . . ?
C01E C00T B040 62.3(4) . . ?
B035 C00T H00T 117.2 . . ?
B035 C00T B040 115.9(5) . . ?
B036 C00T H00T 118.2 . . ?
B036 C00T B035 62.8(4) . . ?
B036 C00T B040 115.8(6) . . ?
B038 C00T H00T 117.8 . . ?
B038 C00T B035 115.2(5) . . ?
B038 C00T B036 62.7(5) . . ?
B038 C00T B040 63.6(5) . . ?
B040 C00T H00T 116.3 . . ?
C00L C00U Ir01 71.8(3) . . ?
C00L C00U C00P 107.4(5) . . ?
C00L C00U C02G 125.1(6) . . ?
C00P C00U Ir01 70.7(3) . . ?
C00P C00U C02G 127.2(6) . . ?
C02G C00U Ir01 127.5(4) . . ?
N00F C00V S008 127.5(5) . . ?
N00F C00V C00N 120.1(6) . . ?
C00N C00V S008 112.3(4) . . ?
C00R C00W Ir05 69.5(4) . . ?
C00R C00W C02T 126.8(7) . . ?
C01O C00W Ir05 73.6(4) . . ?
C01O C00W C00R 106.4(6) . . ?
C01O C00W C02T 126.5(7) . . ?
C02T C00W Ir05 126.4(6) . . ?
C00S C00X Ir02 71.9(3) . . ?
C00S C00X C02K 124.2(6) . . ?
C01Z C00X Ir02 71.0(3) . . ?
C01Z C00X C00S 107.8(5) . . ?
C01Z C00X C02K 127.7(6) . . ?
C02K C00X Ir02 127.4(4) . . ?
C00K C00Y Ir01 72.8(3) . . ?
C00K C00Y C00P 108.9(5) . . ?
C00K C00Y C01W 125.9(6) . . ?
C00P C00Y Ir01 68.6(3) . . ?
C00P C00Y C01W 125.2(6) . . ?
C01W C00Y Ir01 126.1(4) . . ?
C00J C00Z H00Z 120.0 . . ?
C00J C00Z C01U 120.0(6) . . ?
C01U C00Z H00Z 120.0 . . ?
Ir03 C010 H010 97(4) . . ?
C00Q C010 Ir03 100.8(4) . . ?
C00Q C010 H010 117(4) . . ?
C01R C010 Ir03 100.6(4) . . ?
C01R C010 C00Q 119.0(5) . . ?
C01R C010 H010 116(4) . . ?
C00S C011 Ir02 69.0(3) . . ?
C00S C011 C014 126.2(6) . . ?
C014 C011 Ir02 127.0(5) . . ?
C019 C011 Ir02 70.8(3) . . ?
C019 C011 C00S 107.9(6) . . ?
C019 C011 C014 125.8(6) . . ?
C018 C012 B02F 116.5(5) . . ?
C018 C012 C02P 115.5(5) . . ?
C018 C012 B02R 110.1(5) . . ?
C018 C012 B02W 122.9(5) . . ?
C018 C012 B03J 119.4(5) . . ?
B02F C012 B02R 63.1(4) . . ?
C02P C012 B02F 114.1(5) . . ?
C02P C012 B02R 63.0(4) . . ?
C02P C012 B02W 113.6(5) . . ?
C02P C012 B03J 62.6(4) . . ?
B02W C012 B02F 64.2(4) . . ?
B02W C012 B02R 116.9(5) . . ?
B02W C012 B03J 63.1(5) . . ?
B03J C012 B02F 117.3(5) . . ?
B03J C012 B02R 117.4(5) . . ?
N00H C013 C00O 120.7(5) . . ?
N00H C013 C01S 119.6(6) . . ?
C01S C013 C00O 119.2(6) . . ?
C011 C014 H01N 109.5 . . ?
C011 C014 H01O 109.5 . . ?
C011 C014 H01P 109.5 . . ?
H01N C014 H01O 109.5 . . ?
H01N C014 H01P 109.5 . . ?
H01O C014 H01P 109.5 . . ?
C00R C015 Ir05 69.5(4) . . ?
C00R C015 C01D 108.6(6) . . ?
C00R C015 C027 125.9(7) . . ?
C01D C015 Ir05 74.8(4) . . ?
C01D C015 C027 125.5(7) . . ?
C027 C015 Ir05 123.9(5) . . ?
C01M C016 N00D 118.8(5) . . ?
C01M C016 C01Q 121.7(5) . . ?
C01Q C016 N00D 119.3(5) . . ?
C00K C017 H01A 109.5 . . ?
C00K C017 H01B 109.5 . . ?
C00K C017 H01C 109.5 . . ?
H01A C017 H01B 109.5 . . ?
H01A C017 H01C 109.5 . . ?
H01B C017 H01C 109.5 . . ?
N00D C018 S007 126.6(4) . . ?
N00D C018 C012 121.8(5) . . ?
C012 C018 S007 111.5(4) . . ?
C011 C019 Ir02 73.1(3) . . ?
C011 C019 C01Z 109.6(5) . . ?
C011 C019 C023 125.1(6) . . ?
C01Z C019 Ir02 68.9(3) . . ?
C01Z C019 C023 125.3(6) . . ?
C023 C019 Ir02 125.1(4) . . ?
C01B C01A Ir04 71.3(4) . . ?
C01B C01A C01I 108.2(6) . . ?
C01B C01A C02L 127.8(7) . . ?
C01I C01A Ir04 67.9(4) . . ?
C01I C01A C02L 123.9(7) . . ?
C02L C01A Ir04 128.5(5) . . ?
C01A C01B Ir04 73.1(4) . . ?
C01A C01B C01T 109.6(6) . . ?
C01A C01B C02H 127.0(7) . . ?
C01T C01B Ir04 68.0(4) . . ?
C01T C01B C02H 123.4(7) . . ?
C02H C01B Ir04 127.3(5) . . ?
C01K C01C Ir03 72.8(4) . . ?
C01K C01C C020 107.4(6) . . ?
C01K C01C C03W 125.8(7) . . ?
C020 C01C Ir03 70.7(4) . . ?
C020 C01C C03W 126.4(7) . . ?
C03W C01C Ir03 126.9(5) . . ?
C015 C01D Ir05 67.9(4) . . ?
C015 C01D C02M 125.5(7) . . ?
C01O C01D Ir05 70.7(4) . . ?
C01O C01D C015 107.0(6) . . ?
C01O C01D C02M 127.5(7) . . ?
C02M C01D Ir05 128.4(5) . . ?
C00T C01E B035 61.0(4) . . ?
C00T C01E B03N 110.2(5) . . ?
C00T C01E B040 60.6(4) . . ?
C00T C01E B044 110.0(5) . . ?
C01F C01E C00T 116.0(5) . . ?
C01F C01E B035 116.0(5) . . ?
C01F C01E B03N 123.7(5) . . ?
C01F C01E B040 115.4(5) . . ?
C01F C01E B044 123.2(6) . . ?
B035 C01E B040 113.9(5) . . ?
B03N C01E B035 62.7(5) . . ?
B03N C01E B040 114.4(5) . . ?
B044 C01E B035 114.5(6) . . ?
B044 C01E B03N 62.8(5) . . ?
B044 C01E B040 62.5(5) . . ?
N00G C01F S00B 129.9(5) . . ?
N00G C01F C01E 115.8(6) . . ?
C01E C01F S00B 114.2(4) . . ?
C00N B01G Ir04 114.0(4) . . ?
C00N B01G B026 59.5(4) . . ?
C00N B01G B02I 57.1(4) . . ?
C00N B01G B02V 102.1(5) . . ?
C00N B01G B03G 101.9(5) . . ?
B026 B01G Ir04 104.1(4) . . ?
B026 B01G B02V 59.7(4) . . ?
B026 B01G B03G 108.4(5) . . ?
B02I B01G Ir04 129.4(4) . . ?
B02I B01G B026 108.3(6) . . ?
B02I B01G B02V 105.7(5) . . ?
B02I B01G B03G 58.9(4) . . ?
B02V B01G Ir04 124.1(5) . . ?
B02V B01G B03G 59.4(4) . . ?
B03G B01G Ir04 140.4(5) . . ?
C00M C01H B02O 62.0(4) . . ?
C00M C01H B034 61.3(4) . . ?
C00M C01H B03A 110.9(5) . . ?
C00M C01H B03F 110.9(5) . . ?
C01N C01H C00M 116.4(5) . . ?
C01N C01H B02O 115.9(5) . . ?
C01N C01H B034 115.2(5) . . ?
C01N C01H B03A 123.2(5) . . ?
C01N C01H B03F 121.9(5) . . ?
B02O C01H B034 115.3(5) . . ?
B03A C01H B02O 62.7(4) . . ?
B03A C01H B034 114.1(5) . . ?
B03F C01H B02O 115.1(5) . . ?
B03F C01H B034 62.5(4) . . ?
B03F C01H B03A 62.5(5) . . ?
C01A C01I Ir04 74.7(4) . . ?
C01A C01I C01J 107.8(6) . . ?
C01A C01I C02B 126.4(6) . . ?
C01J C01I Ir04 69.5(4) . . ?
C01J C01I C02B 125.6(6) . . ?
C02B C01I Ir04 124.5(5) . . ?
C01I C01J Ir04 71.8(4) . . ?
C01I C01J C03D 125.4(6) . . ?
C01T C01J Ir04 71.4(4) . . ?
C01T C01J C01I 107.7(6) . . ?
C01T C01J C03D 126.7(6) . . ?
C03D C01J Ir04 126.9(5) . . ?
C01C C01K Ir03 69.8(4) . . ?
C01C C01K C024 109.1(6) . . ?
C01C C01K C031 126.1(7) . . ?
C024 C01K Ir03 69.7(4) . . ?
C024 C01K C031 124.5(7) . . ?
C031 C01K Ir03 131.4(5) . . ?
C021 C01L C029 117.4(5) . . ?
C021 C01L B03P 115.8(6) . . ?
C021 C01L B041 121.6(6) . . ?
C021 C01L B045 123.1(6) . . ?
C021 C01L B047 116.6(7) . . ?
C029 C01L B03P 61.0(5) . . ?
C029 C01L B041 110.1(6) . . ?
C029 C01L B045 111.1(6) . . ?
C029 C01L B047 61.3(5) . . ?
B041 C01L B03P 61.8(6) . . ?
B045 C01L B03P 112.8(7) . . ?
B045 C01L B041 61.5(7) . . ?
B045 C01L B047 64.2(6) . . ?
B047 C01L B03P 114.4(6) . . ?
B047 C01L B041 115.0(7) . . ?
C00Q C01M H01M 120.2 . . ?
C016 C01M C00Q 119.6(6) . . ?
C016 C01M H01M 120.2 . . ?
N00E C01N S009 130.7(5) . . ?
N00E C01N C01H 115.1(5) . . ?
C01H C01N S009 114.1(4) . . ?
C00W C01O Ir05 68.8(4) . . ?
C00W C01O C033 123.4(7) . . ?
C01D C01O Ir05 73.5(4) . . ?
C01D C01O C00W 110.3(6) . . ?
C01D C01O C033 126.2(7) . . ?
C033 C01O Ir05 126.4(6) . . ?
N00H C01P S00C 130.6(6) . . ?
N00H C01P C028 114.3(6) . . ?
C028 C01P S00C 115.1(5) . . ?
C016 C01Q H01Q 119.9 . . ?
C01R C01Q C016 120.1(6) . . ?
C01R C01Q H01Q 119.9 . . ?
N00I C01R C010 120.4(5) . . ?
C01Q C01R N00I 119.5(6) . . ?
C01Q C01R C010 119.6(6) . . ?
C013 C01S H01S 119.8 . . ?
C01U C01S C013 120.5(6) . . ?
C01U C01S H01S 119.8 . . ?
C01B C01T Ir04 73.9(4) . . ?
C01B C01T C03K 126.6(7) . . ?
C01J C01T Ir04 70.0(4) . . ?
C01J C01T C01B 106.6(6) . . ?
C01J C01T C03K 126.3(6) . . ?
C03K C01T Ir04 127.4(6) . . ?
C00Z C01U N00F 117.7(6) . . ?
C01S C01U N00F 120.8(6) . . ?
C01S C01U C00Z 121.3(6) . . ?
C00P C01V H01D 109.5 . . ?
C00P C01V H01E 109.5 . . ?
C00P C01V H01F 109.5 . . ?
H01D C01V H01E 109.5 . . ?
H01D C01V H01F 109.5 . . ?
H01E C01V H01F 109.5 . . ?
C00Y C01W H01G 109.5 . . ?
C00Y C01W H01H 109.5 . . ?
C00Y C01W H01I 109.5 . . ?
H01G C01W H01H 109.5 . . ?
H01G C01W H01I 109.5 . . ?
H01H C01W H01I 109.5 . . ?
C00L C01X H01J 109.5 . . ?
C00L C01X H01K 109.5 . . ?
C00L C01X H01L 109.5 . . ?
H01J C01X H01K 109.5 . . ?
H01J C01X H01L 109.5 . . ?
H01K C01X H01L 109.5 . . ?
C00N C01Y H01Y 123.0 . . ?
C00N C01Y B026 60.6(4) . . ?
C00N C01Y B02S 60.5(4) . . ?
C00N C01Y B02X 109.1(6) . . ?
C00N C01Y B03M 108.9(6) . . ?
B026 C01Y H01Y 117.4 . . ?
B02S C01Y H01Y 118.4 . . ?
B02S C01Y B026 113.7(6) . . ?
B02X C01Y H01Y 119.0 . . ?
B02X C01Y B026 62.7(4) . . ?
B02X C01Y B02S 113.5(6) . . ?
B02X C01Y B03M 63.0(5) . . ?
B03M C01Y H01Y 118.9 . . ?
B03M C01Y B026 114.8(6) . . ?
B03M C01Y B02S 61.7(4) . . ?
C00X C01Z Ir02 70.6(4) . . ?
C00X C01Z C019 106.7(6) . . ?
C00X C01Z C02E 125.9(6) . . ?
C019 C01Z Ir02 73.0(4) . . ?
C019 C01Z C02E 126.7(6) . . ?
C02E C01Z Ir02 128.8(5) . . ?
C01C C020 Ir03 71.1(4) . . ?
C01C C020 C03R 125.6(7) . . ?
C025 C020 Ir03 70.8(4) . . ?
C025 C020 C01C 107.9(6) . . ?
C025 C020 C03R 126.5(7) . . ?
C03R C020 Ir03 124.2(5) . . ?
N00I C021 S00A 129.7(5) . . ?
N00I C021 C01L 115.0(6) . . ?
C01L C021 S00A 115.3(5) . . ?
C00S C022 H1 109.5 . . ?
C00S C022 H 109.5 . . ?
C00S C022 HA 109.5 . . ?
H1 C022 H 109.5 . . ?
H1 C022 HA 109.5 . . ?
H C022 HA 109.5 . . ?
C019 C023 H2 109.5 . . ?
C019 C023 HB 109.5 . . ?
C019 C023 HC 109.5 . . ?
H2 C023 HB 109.5 . . ?
H2 C023 HC 109.5 . . ?
HB C023 HC 109.5 . . ?
C01K C024 Ir03 72.4(4) . . ?
C01K C024 C02J 127.5(7) . . ?
C025 C024 Ir03 70.1(4) . . ?
C025 C024 C01K 105.9(6) . . ?
C025 C024 C02J 126.2(7) . . ?
C02J C024 Ir03 127.9(5) . . ?
C020 C025 Ir03 71.6(4) . . ?
C020 C025 C024 109.5(6) . . ?
C020 C025 C02Y 127.7(6) . . ?
C024 C025 Ir03 71.6(4) . . ?
C024 C025 C02Y 122.8(6) . . ?
C02Y C025 Ir03 125.3(5) . . ?
C00N B026 Ir02 112.2(4) . . ?
C00N B026 B01G 58.0(4) . . ?
C00N B026 C01Y 55.6(4) . . ?
C00N B026 B02V 101.5(5) . . ?
C00N B026 B02X 100.1(5) . . ?
B01G B026 Ir02 105.4(4) . . ?
B01G B026 C01Y 103.9(5) . . ?
B01G B026 B02X 107.1(5) . . ?
C01Y B026 Ir02 130.6(5) . . ?
C01Y B026 B02X 56.3(4) . . ?
B02V B026 Ir02 127.2(5) . . ?
B02V B026 B01G 60.4(4) . . ?
B02V B026 C01Y 101.8(5) . . ?
B02V B026 B02X 59.0(5) . . ?
B02X B026 Ir02 142.9(5) . . ?
C015 C027 H02A 109.5 . . ?
C015 C027 H02B 109.5 . . ?
C015 C027 H02C 109.5 . . ?
H02A C027 H02B 109.5 . . ?
H02A C027 H02C 109.5 . . ?
H02B C027 H02C 109.5 . . ?
C01P C028 C02Z 116.5(6) . . ?
C01P C028 B046 123.5(7) . . ?
C01P C028 B049 117.5(7) . . ?
C01P C028 B04A 123.0(6) . . ?
C01P C028 B04E 115.6(6) . . ?
C02Z C028 B046 111.5(6) . . ?
C02Z C028 B049 60.3(5) . . ?
C02Z C028 B04A 108.8(7) . . ?
C02Z C028 B04E 60.0(5) . . ?
B046 C028 B049 64.8(6) . . ?
B046 C028 B04E 113.2(7) . . ?
B04A C028 B046 62.0(6) . . ?
B04A C028 B049 114.2(6) . . ?
B04A C028 B04E 61.3(6) . . ?
B04E C028 B049 112.2(7) . . ?
C01L C029 H029 120.0 . . ?
C01L C029 B03L 113.2(6) . . ?
C01L C029 B03P 62.4(5) . . ?
C01L C029 B047 61.6(5) . . ?
C01L C029 B04C 112.2(6) . . ?
B03L C029 H029 117.6 . . ?
B03L C029 B03P 64.1(5) . . ?
B03L C029 B047 115.0(7) . . ?
B03L C029 B04C 62.4(6) . . ?
B03P C029 H029 116.1 . . ?
B047 C029 H029 117.4 . . ?
B047 C029 B03P 115.7(7) . . ?
B04C C029 H029 118.2 . . ?
B04C C029 B03P 116.0(7) . . ?
B04C C029 B047 62.9(6) . . ?
B02C B02A H02D 121.9 . . ?
B02C B02A B02D 60.3(4) . . ?
B02C B02A B02N 107.3(6) . . ?
B02C B02A B02Q 108.4(5) . . ?
B02C B02A B032 59.6(5) . . ?
B02D B02A H02D 121.9 . . ?
B02D B02A B02Q 59.9(4) . . ?
B02D B02A B032 107.8(5) . . ?
B02N B02A H02D 122.1 . . ?
B02N B02A B02D 107.6(6) . . ?
B02N B02A B02Q 60.4(5) . . ?
B02N B02A B032 59.7(5) . . ?
B02Q B02A H02D 121.2 . . ?
B032 B02A H02D 121.8 . . ?
B032 B02A B02Q 108.5(6) . . ?
C01I C02B H3 109.5 . . ?
C01I C02B HD 109.5 . . ?
C01I C02B HE 109.5 . . ?
H3 C02B HD 109.5 . . ?
H3 C02B HE 109.5 . . ?
HD C02B HE 109.5 . . ?
C00M B02C B02A 104.3(5) . . ?
C00M B02C H02E 125.2 . . ?
C00M B02C B02D 58.0(4) . . ?
C00M B02C B02O 59.1(4) . . ?
C00M B02C B032 104.7(5) . . ?
B02A B02C H02E 122.1 . . ?
B02A B02C B02D 60.1(4) . . ?
B02A B02C B02O 108.4(6) . . ?
B02D B02C H02E 121.5 . . ?
B02D B02C B02O 108.1(5) . . ?
B02O B02C H02E 121.3 . . ?
B032 B02C B02A 60.8(5) . . ?
B032 B02C H02E 122.0 . . ?
B032 B02C B02D 108.7(6) . . ?
B032 B02C B02O 59.7(4) . . ?
C00M B02D B02A 104.2(5) . . ?
C00M B02D B02C 58.4(4) . . ?
C00M B02D H02F 124.8 . . ?
C00M B02D B02Q 105.1(5) . . ?
C00M B02D B034 59.3(4) . . ?
B02A B02D B02C 59.6(4) . . ?
B02A B02D H02F 122.6 . . ?
B02A B02D B02Q 60.4(5) . . ?
B02C B02D H02F 121.5 . . ?
B02C B02D B02Q 108.3(6) . . ?
B02Q B02D H02F 121.9 . . ?
B034 B02D B02A 108.2(6) . . ?
B034 B02D B02C 108.3(5) . . ?
B034 B02D H02F 121.1 . . ?
B034 B02D B02Q 60.0(4) . . ?
C01Z C02E H4 109.5 . . ?
C01Z C02E HF 109.5 . . ?
C01Z C02E HG 109.5 . . ?
H4 C02E HF 109.5 . . ?
H4 C02E HG 109.5 . . ?
HF C02E HG 109.5 . . ?
C012 B02F Ir05 113.3(4) . . ?
C012 B02F B02R 58.9(4) . . ?
C012 B02F B02W 56.6(4) . . ?
C012 B02F B030 101.7(5) . . ?
C012 B02F B03C 101.2(5) . . ?
B02R B02F Ir05 103.4(4) . . ?
B02W B02F Ir05 130.2(4) . . ?
B02W B02F B02R 107.1(5) . . ?
B030 B02F Ir05 123.6(5) . . ?
B030 B02F B02R 59.2(4) . . ?
B030 B02F B02W 105.8(5) . . ?
B030 B02F B03C 60.4(4) . . ?
B03C B02F Ir05 141.9(5) . . ?
B03C B02F B02R 108.1(5) . . ?
B03C B02F B02W 58.4(4) . . ?
C00U C02G H02G 109.5 . . ?
C00U C02G H02H 109.5 . . ?
C00U C02G H02I 109.5 . . ?
H02G C02G H02H 109.5 . . ?
H02G C02G H02I 109.5 . . ?
H02H C02G H02I 109.5 . . ?
C01B C02H H5 109.5 . . ?
C01B C02H HH 109.5 . . ?
C01B C02H HI 109.5 . . ?
H5 C02H HH 109.5 . . ?
H5 C02H HI 109.5 . . ?
HH C02H HI 109.5 . . ?
C00N B02I B01G 59.1(4) . . ?
C00N B02I H6 124.9 . . ?
C00N B02I B02S 59.6(4) . . ?
C00N B02I B03G 105.2(5) . . ?
C00N B02I B03V 104.6(5) . . ?
B01G B02I H6 119.5 . . ?
B02S B02I B01G 110.5(5) . . ?
B02S B02I H6 120.7 . . ?
B02S B02I B03V 59.1(5) . . ?
B03G B02I B01G 61.2(4) . . ?
B03G B02I H6 121.5 . . ?
B03G B02I B02S 109.1(6) . . ?
B03G B02I B03V 61.3(5) . . ?
B03V B02I B01G 110.6(5) . . ?
B03V B02I H6 122.0 . . ?
C024 C02J H02J 109.5 . . ?
C024 C02J H02K 109.5 . . ?
C024 C02J H02L 109.5 . . ?
H02J C02J H02K 109.5 . . ?
H02J C02J H02L 109.5 . . ?
H02K C02J H02L 109.5 . . ?
C00X C02K H7 109.5 . . ?
C00X C02K HJ 109.5 . . ?
C00X C02K HK 109.5 . . ?
H7 C02K HJ 109.5 . . ?
H7 C02K HK 109.5 . . ?
HJ C02K HK 109.5 . . ?
C01A C02L H8 109.5 . . ?
C01A C02L HL 109.5 . . ?
C01A C02L HM 109.5 . . ?
H8 C02L HL 109.5 . . ?
H8 C02L HM 109.5 . . ?
HL C02L HM 109.5 . . ?
C01D C02M H02M 109.5 . . ?
C01D C02M H02N 109.5 . . ?
C01D C02M H02O 109.5 . . ?
H02M C02M H02N 109.5 . . ?
H02M C02M H02O 109.5 . . ?
H02N C02M H02O 109.5 . . ?
B02A B02N H02P 121.3 . . ?
B02A B02N B02Q 60.3(5) . . ?
B02A B02N B032 60.6(5) . . ?
B02A B02N B03F 108.3(6) . . ?
B02Q B02N H02P 121.1 . . ?
B032 B02N H02P 121.0 . . ?
B032 B02N B02Q 109.2(6) . . ?
B032 B02N B03F 108.4(6) . . ?
B03A B02N B02A 108.7(6) . . ?
B03A B02N H02P 121.5 . . ?
B03A B02N B02Q 108.6(5) . . ?
B03A B02N B032 60.3(5) . . ?
B03A B02N B03F 59.9(4) . . ?
B03F B02N H02P 121.8 . . ?
B03F B02N B02Q 60.2(5) . . ?
C00M B02O B02C 57.7(4) . . ?
C00M B02O H02Q 125.5 . . ?
C00M B02O B032 103.5(5) . . ?
C00M B02O B03A 103.5(5) . . ?
C01H B02O C00M 56.8(4) . . ?
C01H B02O B02C 103.8(5) . . ?
C01H B02O H02Q 124.6 . . ?
C01H B02O B032 104.6(6) . . ?
C01H B02O B03A 58.4(4) . . ?
B02C B02O H02Q 122.9 . . ?
B032 B02O B02C 59.6(4) . . ?
B032 B02O H02Q 123.1 . . ?
B03A B02O B02C 107.0(6) . . ?
B03A B02O H02Q 122.6 . . ?
B03A B02O B032 60.0(5) . . ?
C012 C02P H02R 123.1 . . ?
C012 C02P B02R 61.0(4) . . ?
C012 C02P B03E 108.8(6) . . ?
C012 C02P B03J 60.7(4) . . ?
C012 C02P B03U 108.0(6) . . ?
B02R C02P H02R 117.2 . . ?
B03E C02P H02R 119.1 . . ?
B03E C02P B02R 62.2(4) . . ?
B03E C02P B03J 113.2(6) . . ?
B03E C02P B03U 63.6(5) . . ?
B03J C02P H02R 118.6 . . ?
B03J C02P B02R 114.1(6) . . ?
B03U C02P H02R 119.5 . . ?
B03U C02P B02R 114.6(6) . . ?
B03U C02P B03J 60.6(4) . . ?
B02A B02Q B02N 59.3(5) . . ?
B02A B02Q H02S 122.3 . . ?
B02D B02Q B02A 59.7(4) . . ?
B02D B02Q B02N 106.5(6) . . ?
B02D B02Q H02S 122.5 . . ?
B02D B02Q B03F 106.7(5) . . ?
B02N B02Q H02S 122.6 . . ?
B034 B02Q B02A 107.2(5) . . ?
B034 B02Q B02D 59.5(4) . . ?
B034 B02Q B02N 106.8(6) . . ?
B034 B02Q H02S 122.2 . . ?
B034 B02Q B03F 59.6(4) . . ?
B03F B02Q B02A 106.9(6) . . ?
B03F B02Q B02N 59.5(5) . . ?
B03F B02Q H02S 122.4 . . ?
C012 B02R Ir01 112.8(4) . . ?
C012 B02R B02F 57.9(4) . . ?
C012 B02R C02P 56.0(4) . . ?
C012 B02R B030 101.4(5) . . ?
C012 B02R B03E 100.7(5) . . ?
B02F B02R Ir01 105.3(4) . . ?
C02P B02R Ir01 131.0(5) . . ?
C02P B02R B02F 104.2(5) . . ?
C02P B02R B030 102.6(5) . . ?
C02P B02R B03E 56.8(4) . . ?
B030 B02R Ir01 125.9(5) . . ?
B030 B02R B02F 59.8(4) . . ?
B030 B02R B03E 59.4(5) . . ?
B03E B02R Ir01 142.2(5) . . ?
B03E B02R B02F 107.1(5) . . ?
C00N B02S C01Y 56.5(4) . . ?
C00N B02S B02I 57.2(4) . . ?
C00N B02S H9 126.0 . . ?
C00N B02S B03M 103.1(5) . . ?
C00N B02S B03V 103.8(6) . . ?
C01Y B02S B02I 103.5(6) . . ?
C01Y B02S H9 124.8 . . ?
C01Y B02S B03M 58.3(4) . . ?
B02I B02S H9 122.7 . . ?
B02I B02S B03M 107.7(6) . . ?
B03M B02S H9 122.5 . . ?
B03V B02S C01Y 105.1(6) . . ?
B03V B02S B02I 60.5(5) . . ?
B03V B02S H9 122.4 . . ?
B03V B02S B03M 60.5(5) . . ?
C00W C02T H02T 109.5 . . ?
C00W C02T H02U 109.5 . . ?
C00W C02T H02V 109.5 . . ?
H02T C02T H02U 109.5 . . ?
H02T C02T H02V 109.5 . . ?
H02U C02T H02V 109.5 . . ?
C00R C02U H02W 109.5 . . ?
C00R C02U H02X 109.5 . . ?
C00R C02U H02Y 109.5 . . ?
H02W C02U H02X 109.5 . . ?
H02W C02U H02Y 109.5 . . ?
H02X C02U H02Y 109.5 . . ?
B01G B02V H10 121.4 . . ?
B026 B02V B01G 59.9(4) . . ?
B026 B02V H10 120.4 . . ?
B026 B02V B03G 109.6(5) . . ?
B02X B02V B01G 108.7(6) . . ?
B02X B02V B026 61.4(4) . . ?
B02X B02V H10 121.3 . . ?
B02X B02V B03G 108.7(6) . . ?
B02X B02V B03X 59.9(5) . . ?
B03G B02V B01G 60.7(4) . . ?
B03G B02V H10 121.0 . . ?
B03X B02V B01G 109.1(5) . . ?
B03X B02V B026 110.0(6) . . ?
B03X B02V H10 121.0 . . ?
B03X B02V B03G 60.5(5) . . ?
C012 B02W B02F 59.2(4) . . ?
C012 B02W H02Z 124.8 . . ?
C012 B02W B03C 104.9(5) . . ?
C012 B02W B03H 104.7(6) . . ?
C012 B02W B03J 59.7(4) . . ?
B02F B02W H02Z 119.8 . . ?
B03C B02W B02F 60.5(4) . . ?
B03C B02W H02Z 121.8 . . ?
B03C B02W B03H 61.4(5) . . ?
B03C B02W B03J 108.8(6) . . ?
B03H B02W B02F 110.2(5) . . ?
B03H B02W H02Z 121.9 . . ?
B03H B02W B03J 59.0(5) . . ?
B03J B02W B02F 110.3(6) . . ?
B03J B02W H02Z 120.8 . . ?
C01Y B02X B026 61.0(4) . . ?
C01Y B02X B02V 105.9(5) . . ?
C01Y B02X H11 123.6 . . ?
C01Y B02X B03M 59.2(4) . . ?
C01Y B02X B03X 105.1(6) . . ?
B026 B02X H11 120.0 . . ?
B02V B02X B026 59.6(4) . . ?
B02V B02X H11 122.5 . . ?
B02V B02X B03M 108.0(6) . . ?
B02V B02X B03X 60.2(5) . . ?
B03M B02X B026 110.3(5) . . ?
B03M B02X H11 121.1 . . ?
B03X B02X B026 108.7(6) . . ?
B03X B02X H11 122.6 . . ?
B03X B02X B03M 59.3(5) . . ?
C025 C02Y H02 109.5 . . ?
C025 C02Y HN 109.5 . . ?
C025 C02Y HO 109.5 . . ?
H02 C02Y HN 109.5 . . ?
H02 C02Y HO 109.5 . . ?
HN C02Y HO 109.5 . . ?
C028 C02Z H12 119.6 . . ?
C028 C02Z B049 62.4(5) . . ?
C028 C02Z B04E 62.4(5) . . ?
C028 C02Z B04F 112.5(7) . . ?
C028 C02Z B04I 112.8(7) . . ?
B049 C02Z H12 117.0 . . ?
B049 C02Z B04I 115.0(7) . . ?
B04E C02Z H12 116.7 . . ?
B04E C02Z B049 116.0(7) . . ?
B04E C02Z B04I 63.0(6) . . ?
B04F C02Z H12 118.3 . . ?
B04F C02Z B049 62.6(6) . . ?
B04F C02Z B04E 115.2(7) . . ?
B04F C02Z B04I 62.6(6) . . ?
B04I C02Z H12 118.1 . . ?
B02F B030 H030 121.1 . . ?
B02F B030 B03C 59.8(4) . . ?
B02R B030 B02F 60.9(4) . . ?
B02R B030 H030 120.8 . . ?
B02R B030 B03C 109.0(5) . . ?
B03C B030 H030 121.4 . . ?
B03E B030 B02F 108.9(5) . . ?
B03E B030 B02R 60.6(4) . . ?
B03E B030 H030 121.7 . . ?
B03E B030 B03C 108.2(6) . . ?
B03E B030 B03T 59.5(5) . . ?
B03T B030 B02F 108.9(5) . . ?
B03T B030 B02R 108.9(6) . . ?
B03T B030 H030 121.3 . . ?
B03T B030 B03C 60.8(5) . . ?
C01K C031 H03A 109.5 . . ?
C01K C031 H03B 109.5 . . ?
C01K C031 H03C 109.5 . . ?
H03A C031 H03B 109.5 . . ?
H03A C031 H03C 109.5 . . ?
H03B C031 H03C 109.5 . . ?
B02A B032 H032 122.0 . . ?
B02C B032 B02A 59.6(4) . . ?
B02C B032 B02N 107.3(6) . . ?
B02C B032 B02O 60.6(4) . . ?
B02C B032 H032 121.8 . . ?
B02C B032 B03A 107.8(5) . . ?
B02N B032 B02A 59.7(5) . . ?
B02N B032 H032 122.4 . . ?
B02O B032 B02A 108.2(5) . . ?
B02O B032 B02N 107.7(6) . . ?
B02O B032 H032 121.3 . . ?
B02O B032 B03A 60.0(4) . . ?
B03A B032 B02A 107.1(6) . . ?
B03A B032 B02N 59.3(5) . . ?
B03A B032 H032 122.3 . . ?
C01O C033 H03D 109.5 . . ?
C01O C033 H03E 109.5 . . ?
C01O C033 H03F 109.5 . . ?
H03D C033 H03E 109.5 . . ?
H03D C033 H03F 109.5 . . ?
H03E C033 H03F 109.5 . . ?
C00M B034 C01H 56.8(4) . . ?
C00M B034 B02D 58.1(4) . . ?
C00M B034 B02Q 104.5(5) . . ?
C00M B034 H034 125.2 . . ?
C00M B034 B03F 103.9(5) . . ?
C01H B034 B02D 104.3(5) . . ?
C01H B034 B02Q 105.1(5) . . ?
C01H B034 H034 124.8 . . ?
C01H B034 B03F 58.2(4) . . ?
B02D B034 B02Q 60.4(4) . . ?
B02D B034 H034 122.1 . . ?
B02D B034 B03F 108.3(5) . . ?
B02Q B034 H034 122.4 . . ?
B03F B034 B02Q 60.7(4) . . ?
B03F B034 H034 122.2 . . ?
C00T B035 C01E 57.4(4) . . ?
C00T B035 H035 125.1 . . ?
C00T B035 B036 58.3(4) . . ?
C00T B035 B03N 103.8(5) . . ?
C00T B035 B03O 104.0(5) . . ?
C01E B035 H035 124.3 . . ?
C01E B035 B036 104.9(5) . . ?
C01E B035 B03N 58.1(4) . . ?
C01E B035 B03O 104.8(6) . . ?
B036 B035 H035 122.2 . . ?
B036 B035 B03N 107.7(6) . . ?
B03N B035 H035 122.6 . . ?
B03O B035 H035 123.1 . . ?
B03O B035 B036 59.9(5) . . ?
B03O B035 B03N 60.2(5) . . ?
C00T B036 B035 59.0(4) . . ?
C00T B036 H036 125.4 . . ?
C00T B036 B038 58.3(4) . . ?
C00T B036 B03O 104.3(6) . . ?
C00T B036 B03S 104.0(6) . . ?
B035 B036 H036 121.2 . . ?
B038 B036 B035 108.4(6) . . ?
B038 B036 H036 121.3 . . ?
B038 B036 B03O 108.6(6) . . ?
B03O B036 B035 59.5(5) . . ?
B03O B036 H036 122.1 . . ?
B03S B036 B035 108.4(6) . . ?
B03S B036 H036 122.2 . . ?
B03S B036 B038 59.7(5) . . ?
B03S B036 B03O 61.0(5) . . ?
C03I C037 Ir06 69.9(4) . . ?
C03I C037 C03Q 109.4(8) . . ?
C03I C037 C048 124.6(9) . . ?
C03Q C037 Ir06 70.3(5) . . ?
C03Q C037 C048 125.6(10) . . ?
C048 C037 Ir06 131.8(6) . . ?
C00T B038 B036 59.0(4) . . ?
C00T B038 H038 125.1 . . ?
C00T B038 B03S 104.8(6) . . ?
C00T B038 B03Z 103.6(6) . . ?
C00T B038 B040 59.0(4) . . ?
B036 B038 H038 120.9 . . ?
B036 B038 B03Z 108.2(6) . . ?
B036 B038 B040 108.9(6) . . ?
B03S B038 B036 60.1(5) . . ?
B03S B038 H038 121.9 . . ?
B03S B038 B03Z 60.6(6) . . ?
B03S B038 B040 108.5(6) . . ?
B03Z B038 H038 123.0 . . ?
B03Z B038 B040 59.0(5) . . ?
B040 B038 H038 121.2 . . ?
C03I C039 Ir06 71.2(4) . . ?
C03I C039 C04M 125.8(10) . . ?
C03Y C039 Ir06 71.7(5) . . ?
C03Y C039 C03I 107.9(8) . . ?
C03Y C039 C04M 126.2(9) . . ?
C04M C039 Ir06 125.5(6) . . ?
C01H B03A B02N 105.2(5) . . ?
C01H B03A B02O 58.8(4) . . ?
C01H B03A B032 104.9(5) . . ?
C01H B03A H03G 124.8 . . ?
C01H B03A B03F 58.8(4) . . ?
B02N B03A B02O 108.6(6) . . ?
B02N B03A B032 60.4(5) . . ?
B02N B03A H03G 121.8 . . ?
B02N B03A B03F 60.8(5) . . ?
B02O B03A B032 60.0(5) . . ?
B02O B03A H03G 121.2 . . ?
B032 B03A H03G 122.0 . . ?
B03F B03A B02O 108.7(5) . . ?
B03F B03A B032 109.2(6) . . ?
B03F B03A H03G 120.7 . . ?
B03N B03B H03W 121.3 . . ?
B03N B03B B03O 60.0(5) . . ?
B03N B03B B03S 108.1(6) . . ?
B03N B03B B03Z 108.5(6) . . ?
B03N B03B B044 60.7(5) . . ?
B03O B03B H03W 121.8 . . ?
B03O B03B B03S 59.7(5) . . ?
B03S B03B H03W 121.8 . . ?
B03Z B03B H03W 121.7 . . ?
B03Z B03B B03O 107.8(6) . . ?
B03Z B03B B03S 60.0(5) . . ?
B044 B03B H03W 121.3 . . ?
B044 B03B B03O 108.4(6) . . ?
B044 B03B B03S 108.2(6) . . ?
B044 B03B B03Z 60.0(5) . . ?
B02F B03C B030 59.7(4) . . ?
B02F B03C H03H 120.9 . . ?
B02F B03C B03H 109.4(5) . . ?
B02F B03C B03T 107.4(5) . . ?
B02W B03C B02F 61.1(4) . . ?
B02W B03C B030 107.4(5) . . ?
B02W B03C H03H 122.0 . . ?
B02W B03C B03H 59.8(4) . . ?
B02W B03C B03T 106.6(6) . . ?
B030 B03C H03H 122.5 . . ?
B030 B03C B03T 59.0(5) . . ?
B03H B03C B030 107.4(6) . . ?
B03H B03C H03H 121.4 . . ?
B03H B03C B03T 59.7(5) . . ?
B03T B03C H03H 122.9 . . ?
C01J C03D H03X 109.5 . . ?
C01J C03D H03Y 109.5 . . ?
C01J C03D HP 109.5 . . ?
H03X C03D H03Y 109.5 . . ?
H03X C03D HP 109.5 . . ?
H03Y C03D HP 109.5 . . ?
C02P B03E B02R 61.0(4) . . ?
C02P B03E B030 106.3(5) . . ?
C02P B03E H03I 123.5 . . ?
C02P B03E B03T 105.1(6) . . ?
C02P B03E B03U 58.9(4) . . ?
B02R B03E H03I 119.9 . . ?
B02R B03E B03U 109.8(5) . . ?
B030 B03E B02R 60.0(4) . . ?
B030 B03E H03I 122.2 . . ?
B030 B03E B03U 107.7(6) . . ?
B03T B03E B02R 109.3(6) . . ?
B03T B03E B030 60.6(5) . . ?
B03T B03E H03I 122.4 . . ?
B03T B03E B03U 59.0(5) . . ?
B03U B03E H03I 121.7 . . ?
C01H B03F B02N 104.1(6) . . ?
C01H B03F B02Q 105.2(5) . . ?
C01H B03F B034 59.3(4) . . ?
C01H B03F B03A 58.8(4) . . ?
C01H B03F H03J 124.6 . . ?
B02N B03F B02Q 60.3(5) . . ?
B02N B03F H03J 122.9 . . ?
B02Q B03F H03J 122.1 . . ?
B034 B03F B02N 107.6(6) . . ?
B034 B03F B02Q 59.7(4) . . ?
B034 B03F H03J 121.3 . . ?
B03A B03F B02N 59.3(5) . . ?
B03A B03F B02Q 108.3(6) . . ?
B03A B03F B034 108.5(5) . . ?
B03A B03F H03J 121.4 . . ?
B01G B03G H03Z 121.4 . . ?
B02I B03G B01G 59.9(4) . . ?
B02I B03G B02V 106.8(5) . . ?
B02I B03G H03Z 122.6 . . ?
B02I B03G B03V 59.7(4) . . ?
B02I B03G B03X 106.6(6) . . ?
B02V B03G B01G 59.9(4) . . ?
B02V B03G H03Z 122.3 . . ?
B02V B03G B03V 107.5(6) . . ?
B02V B03G B03X 59.6(5) . . ?
B03V B03G B01G 108.3(6) . . ?
B03V B03G H03Z 121.7 . . ?
B03X B03G B01G 107.7(6) . . ?
B03X B03G H03Z 122.4 . . ?
B03X B03G B03V 59.6(5) . . ?
B02W B03H B03C 58.8(4) . . ?
B02W B03H H03K 122.4 . . ?
B02W B03H B03T 106.5(6) . . ?
B03C B03H H03K 121.6 . . ?
B03J B03H B02W 60.6(4) . . ?
B03J B03H B03C 108.1(5) . . ?
B03J B03H H03K 121.7 . . ?
B03J B03H B03T 106.8(6) . . ?
B03J B03H B03U 59.7(5) . . ?
B03T B03H B03C 60.5(5) . . ?
B03T B03H H03K 122.7 . . ?
B03U B03H B02W 107.4(5) . . ?
B03U B03H B03C 107.9(6) . . ?
B03U B03H H03K 122.2 . . ?
B03U B03H B03T 58.9(5) . . ?
C037 C03I Ir06 73.2(5) . . ?
C037 C03I C039 107.8(8) . . ?
C037 C03I C042 126.4(8) . . ?
C039 C03I Ir06 70.1(4) . . ?
C039 C03I C042 125.5(9) . . ?
C042 C03I Ir06 126.8(6) . . ?
C012 B03J C02P 56.8(4) . . ?
C012 B03J B02W 57.2(4) . . ?
C012 B03J B03H 103.8(6) . . ?
C012 B03J H03L 126.0 . . ?
C012 B03J B03U 103.6(5) . . ?
C02P B03J B02W 104.1(6) . . ?
C02P B03J H03L 124.2 . . ?
C02P B03J B03U 58.9(4) . . ?
B02W B03J H03L 122.6 . . ?
B03H B03J C02P 105.9(6) . . ?
B03H B03J B02W 60.4(5) . . ?
B03H B03J H03L 122.3 . . ?
B03H B03J B03U 60.7(5) . . ?
B03U B03J B02W 108.0(6) . . ?
B03U B03J H03L 122.1 . . ?
C01T C03K H03 109.5 . . ?
C01T C03K HQ 109.5 . . ?
C01T C03K HR 109.5 . . ?
H03 C03K HQ 109.5 . . ?
H03 C03K HR 109.5 . . ?
HQ C03K HR 109.5 . . ?
C029 B03L H03M 124.8 . . ?
C029 B03L B03P 59.0(5) . . ?
C029 B03L B043 105.3(7) . . ?
C029 B03L B04C 59.3(6) . . ?
C029 B03L B04D 104.2(8) . . ?
B03P B03L H03M 121.8 . . ?
B043 B03L H03M 121.1 . . ?
B043 B03L B03P 59.1(5) . . ?
B04C B03L H03M 120.0 . . ?
B04C B03L B03P 109.3(7) . . ?
B04C B03L B043 110.7(9) . . ?
B04C B03L B04D 60.0(7) . . ?
B04D B03L H03M 122.6 . . ?
B04D B03L B03P 107.5(7) . . ?
B04D B03L B043 61.5(7) . . ?
C01Y B03M B02S 60.0(4) . . ?
C01Y B03M B02X 57.8(4) . . ?
C01Y B03M H13 124.5 . . ?
C01Y B03M B03V 105.2(5) . . ?
C01Y B03M B03X 104.4(6) . . ?
B02S B03M B02X 107.9(5) . . ?
B02S B03M H13 121.6 . . ?
B02X B03M H13 121.8 . . ?
B03V B03M B02S 58.9(5) . . ?
B03V B03M B02X 108.2(7) . . ?
B03V B03M H13 122.2 . . ?
B03X B03M B02S 107.5(6) . . ?
B03X B03M B02X 59.9(5) . . ?
B03X B03M H13 122.4 . . ?
B03X B03M B03V 60.7(5) . . ?
C01E B03N B035 59.2(4) . . ?
C01E B03N B03B 104.8(6) . . ?
C01E B03N H14 124.7 . . ?
C01E B03N B03O 104.8(5) . . ?
C01E B03N B044 58.5(4) . . ?
B035 B03N H14 121.6 . . ?
B03B B03N B035 108.2(6) . . ?
B03B B03N H14 122.0 . . ?
B03B B03N B03O 61.2(5) . . ?
B03B B03N B044 59.8(5) . . ?
B03O B03N B035 59.2(5) . . ?
B03O B03N H14 122.1 . . ?
B044 B03N B035 108.1(5) . . ?
B044 B03N H14 121.5 . . ?
B044 B03N B03O 108.6(6) . . ?
B035 B03O B036 60.6(5) . . ?
B035 B03O B03B 107.5(6) . . ?
B035 B03O B03N 60.6(5) . . ?
B035 B03O H15 121.3 . . ?
B035 B03O B03S 108.1(6) . . ?
B036 B03O B03B 107.7(6) . . ?
B036 B03O B03N 108.7(6) . . ?
B036 B03O H15 121.5 . . ?
B036 B03O B03S 59.5(5) . . ?
B03B B03O H15 122.4 . . ?
B03N B03O B03B 58.8(5) . . ?
B03N B03O H15 121.8 . . ?
B03N B03O B03S 107.6(7) . . ?
B03S B03O B03B 60.3(5) . . ?
B03S B03O H15 121.9 . . ?
C01L B03P B03L 103.0(7) . . ?
C01L B03P H03P 124.7 . . ?
C01L B03P B041 58.7(6) . . ?
C01L B03P B043 106.1(8) . . ?
C029 B03P C01L 56.7(5) . . ?
C029 B03P B03L 56.9(5) . . ?
C029 B03P H03P 125.6 . . ?
C029 B03P B041 104.2(8) . . ?
C029 B03P B043 104.4(7) . . ?
B03L B03P H03P 123.4 . . ?
B041 B03P B03L 107.9(7) . . ?
B041 B03P H03P 121.6 . . ?
B043 B03P B03L 60.0(6) . . ?
B043 B03P H03P 121.8 . . ?
B043 B03P B041 61.7(6) . . ?
C037 C03Q Ir06 72.3(5) . . ?
C037 C03Q C03Y 106.1(8) . . ?
C037 C03Q C04O 127.9(11) . . ?
C03Y C03Q Ir06 69.7(5) . . ?
C03Y C03Q C04O 125.9(11) . . ?
C04O C03Q Ir06 126.5(7) . . ?
C020 C03R H03N 109.5 . . ?
C020 C03R H03O 109.5 . . ?
C020 C03R H03Q 109.5 . . ?
H03N C03R H03O 109.5 . . ?
H03N C03R H03Q 109.5 . . ?
H03O C03R H03Q 109.5 . . ?
B036 B03S B03B 107.5(6) . . ?
B036 B03S B03O 59.5(5) . . ?
B036 B03S H16 121.8 . . ?
B036 B03S B03Z 108.1(6) . . ?
B038 B03S B036 60.1(5) . . ?
B038 B03S B03B 107.7(7) . . ?
B038 B03S B03O 107.7(6) . . ?
B038 B03S H16 121.5 . . ?
B038 B03S B03Z 60.5(5) . . ?
B03B B03S H16 122.2 . . ?
B03O B03S B03B 60.0(5) . . ?
B03O B03S H16 122.1 . . ?
B03Z B03S B03B 59.2(6) . . ?
B03Z B03S B03O 107.4(7) . . ?
B03Z B03S H16 121.8 . . ?
B030 B03T B03C 60.3(4) . . ?
B030 B03T B03H 108.5(5) . . ?
B030 B03T H03T 121.2 . . ?
B03C B03T H03T 122.0 . . ?
B03E B03T B030 59.9(5) . . ?
B03E B03T B03C 108.1(5) . . ?
B03E B03T B03H 108.9(6) . . ?
B03E B03T H03T 121.0 . . ?
B03H B03T B03C 59.8(5) . . ?
B03H B03T H03T 121.7 . . ?
B03U B03T B030 109.3(6) . . ?
B03U B03T B03C 107.8(6) . . ?
B03U B03T B03E 61.6(5) . . ?
B03U B03T B03H 59.6(5) . . ?
B03U B03T H03T 121.1 . . ?
C02P B03U B03E 57.6(4) . . ?
C02P B03U B03H 106.3(6) . . ?
C02P B03U B03J 60.5(4) . . ?
C02P B03U B03T 104.5(6) . . ?
C02P B03U H03U 124.3 . . ?
B03E B03U H03U 122.0 . . ?
B03H B03U B03E 108.7(7) . . ?
B03H B03U H03U 121.3 . . ?
B03J B03U B03E 108.3(6) . . ?
B03J B03U B03H 59.6(5) . . ?
B03J B03U B03T 108.7(7) . . ?
B03J B03U H03U 120.9 . . ?
B03T B03U B03E 59.5(5) . . ?
B03T B03U B03H 61.5(5) . . ?
B03T B03U H03U 122.1 . . ?
B02I B03V B03G 59.0(4) . . ?
B02I B03V B03M 107.6(5) . . ?
B02I B03V H17 122.6 . . ?
B02I B03V B03X 106.2(6) . . ?
B02S B03V B02I 60.4(4) . . ?
B02S B03V B03G 108.3(5) . . ?
B02S B03V B03M 60.6(5) . . ?
B02S B03V H17 121.1 . . ?
B02S B03V B03X 107.6(6) . . ?
B03G B03V H17 121.9 . . ?
B03M B03V B03G 107.6(6) . . ?
B03M B03V H17 121.9 . . ?
B03M B03V B03X 59.1(5) . . ?
B03X B03V B03G 59.9(5) . . ?
B03X B03V H17 122.7 . . ?
C01C C03W H03R 109.5 . . ?
C01C C03W H03S 109.5 . . ?
C01C C03W H03V 109.5 . . ?
H03R C03W H03S 109.5 . . ?
H03R C03W H03V 109.5 . . ?
H03S C03W H03V 109.5 . . ?
B02V B03X B03G 59.9(5) . . ?
B02V B03X B03V 108.4(5) . . ?
B02V B03X H18 121.6 . . ?
B02X B03X B02V 59.9(5) . . ?
B02X B03X B03G 108.1(5) . . ?
B02X B03X B03V 108.6(6) . . ?
B02X B03X H18 121.5 . . ?
B03G B03X H18 121.4 . . ?
B03M B03X B02V 108.9(6) . . ?
B03M B03X B02X 60.8(5) . . ?
B03M B03X B03G 109.0(6) . . ?
B03M B03X B03V 60.2(5) . . ?
B03M B03X H18 120.9 . . ?
B03V B03X B03G 60.5(5) . . ?
B03V B03X H18 121.4 . . ?
C039 C03Y Ir06 71.1(4) . . ?
C039 C03Y C03Q 108.8(8) . . ?
C039 C03Y C04H 128.6(12) . . ?
C03Q C03Y Ir06 71.5(5) . . ?
C03Q C03Y C04H 122.5(11) . . ?
C04H C03Y Ir06 124.3(7) . . ?
B038 B03Z B03S 58.9(5) . . ?
B038 B03Z H19 122.0 . . ?
B03B B03Z B038 107.7(7) . . ?
B03B B03Z B03S 60.8(6) . . ?
B03B B03Z H19 121.6 . . ?
B03S B03Z H19 121.7 . . ?
B040 B03Z B038 60.6(5) . . ?
B040 B03Z B03B 108.7(6) . . ?
B040 B03Z B03S 108.4(6) . . ?
B040 B03Z H19 120.9 . . ?
B040 B03Z B044 60.9(5) . . ?
B044 B03Z B038 108.6(6) . . ?
B044 B03Z B03B 59.6(5) . . ?
B044 B03Z B03S 108.5(7) . . ?
B044 B03Z H19 121.3 . . ?
C00T B040 C01E 57.0(4) . . ?
C00T B040 B038 57.5(4) . . ?
C00T B040 B03Z 103.4(6) . . ?
C00T B040 H040 125.5 . . ?
C00T B040 B044 103.2(6) . . ?
C01E B040 B038 103.7(6) . . ?
C01E B040 B03Z 103.5(6) . . ?
C01E B040 H040 125.3 . . ?
C01E B040 B044 57.6(4) . . ?
B038 B040 H040 122.5 . . ?
B03Z B040 B038 60.3(5) . . ?
B03Z B040 H040 123.4 . . ?
B03Z B040 B044 59.6(5) . . ?
B044 B040 B038 107.3(6) . . ?
B044 B040 H040 122.9 . . ?
C01L B041 B03P 59.5(5) . . ?
C01L B041 H041 124.6 . . ?
C01L B041 B043 104.5(7) . . ?
C01L B041 B045 58.6(6) . . ?
C01L B041 B04G 104.5(9) . . ?
B03P B041 H041 121.7 . . ?
B03P B041 B043 58.9(6) . . ?
B043 B041 H041 122.6 . . ?
B045 B041 B03P 108.5(8) . . ?
B045 B041 H041 121.0 . . ?
B045 B041 B043 108.4(8) . . ?
B045 B041 B04G 60.2(8) . . ?
B04G B041 B03P 107.2(7) . . ?
B04G B041 H041 122.6 . . ?
B04G B041 B043 60.1(7) . . ?
C03I C042 H04A 109.5 . . ?
C03I C042 H04B 109.5 . . ?
C03I C042 H04E 109.5 . . ?
H04A C042 H04B 109.5 . . ?
H04A C042 H04E 109.5 . . ?
H04B C042 H04E 109.5 . . ?
B03L B043 B041 106.9(7) . . ?
B03L B043 H043 122.1 . . ?
B03L B043 B04D 59.1(6) . . ?
B03L B043 B04G 105.8(10) . . ?
B03P B043 B03L 60.9(6) . . ?
B03P B043 B041 59.5(5) . . ?
B03P B043 H043 121.6 . . ?
B03P B043 B04D 107.0(8) . . ?
B03P B043 B04G 106.4(8) . . ?
B041 B043 H043 123.3 . . ?
B041 B043 B04D 104.6(10) . . ?
B04D B043 H043 123.6 . . ?
B04G B043 B041 58.5(7) . . ?
B04G B043 H043 123.5 . . ?
B04G B043 B04D 58.1(7) . . ?
C01E B044 B03B 104.7(6) . . ?
C01E B044 B03N 58.6(4) . . ?
C01E B044 B03Z 105.1(6) . . ?
C01E B044 B040 59.8(4) . . ?
C01E B044 H044 124.3 . . ?
B03B B044 B03N 59.5(5) . . ?
B03B B044 B03Z 60.4(5) . . ?
B03B B044 B040 108.2(6) . . ?
B03B B044 H044 122.5 . . ?
B03N B044 B040 108.8(6) . . ?
B03N B044 H044 121.5 . . ?
B03Z B044 B03N 107.9(7) . . ?
B03Z B044 B040 59.5(5) . . ?
B03Z B044 H044 122.4 . . ?
B040 B044 H044 121.0 . . ?
C01L B045 B041 60.0(6) . . ?
C01L B045 H045 124.5 . . ?
C01L B045 B047 58.4(5) . . ?
C01L B045 B04G 105.6(9) . . ?
C01L B045 B04J 104.6(7) . . ?
B041 B045 H045 120.2 . . ?
B041 B045 B047 109.0(7) . . ?
B041 B045 B04G 60.3(8) . . ?
B041 B045 B04J 109.5(9) . . ?
B047 B045 H045 121.8 . . ?
B04G B045 H045 121.8 . . ?
B04G B045 B047 108.1(7) . . ?
B04G B045 B04J 61.0(7) . . ?
B04J B045 H045 122.1 . . ?
B04J B045 B047 59.2(7) . . ?
C028 B046 H046 125.0 . . ?
C028 B046 B049 58.0(5) . . ?
C028 B046 B04A 58.4(5) . . ?
C028 B046 B04B 103.6(8) . . ?
C028 B046 B04K 103.5(8) . . ?
B049 B046 H046 123.0 . . ?
B04A B046 H046 122.6 . . ?
B04A B046 B049 105.9(7) . . ?
B04A B046 B04B 105.6(9) . . ?
B04A B046 B04K 59.2(6) . . ?
B04B B046 H046 123.6 . . ?
B04B B046 B049 59.3(7) . . ?
B04K B046 H046 123.9 . . ?
B04K B046 B049 105.2(8) . . ?
B04K B046 B04B 58.3(7) . . ?
C01L B047 B045 57.4(5) . . ?
C01L B047 H047 124.7 . . ?
C01L B047 B04C 104.7(8) . . ?
C01L B047 B04J 104.2(9) . . ?
C029 B047 C01L 57.1(5) . . ?
C029 B047 B045 102.5(8) . . ?
C029 B047 H047 125.7 . . ?
C029 B047 B04C 58.0(5) . . ?
C029 B047 B04J 103.7(8) . . ?
B045 B047 H047 123.5 . . ?
B04C B047 B045 107.2(8) . . ?
B04C B047 H047 122.0 . . ?
B04C B047 B04J 60.4(7) . . ?
B04J B047 B045 59.6(7) . . ?
B04J B047 H047 123.1 . . ?
C037 C048 H04F 109.5 . . ?
C037 C048 H04H 109.5 . . ?
C037 C048 H04I 109.5 . . ?
H04F C048 H04H 109.5 . . ?
H04F C048 H04I 109.5 . . ?
H04H C048 H04I 109.5 . . ?
C028 B049 B046 57.2(5) . . ?
C028 B049 H049 125.2 . . ?
C028 B049 B04B 102.8(7) . . ?
C028 B049 B04F 105.0(8) . . ?
C02Z B049 C028 57.4(5) . . ?
C02Z B049 B046 103.2(7) . . ?
C02Z B049 H049 125.3 . . ?
C02Z B049 B04B 103.6(8) . . ?
C02Z B049 B04F 58.2(6) . . ?
B046 B049 H049 123.1 . . ?
B04B B049 B046 59.0(6) . . ?
B04B B049 H049 123.8 . . ?
B04F B049 B046 108.3(8) . . ?
B04F B049 H049 121.2 . . ?
B04F B049 B04B 61.1(7) . . ?
C028 B04A B046 59.5(5) . . ?
C028 B04A H04K 123.5 . . ?
C028 B04A B04E 60.2(5) . . ?
C028 B04A B04K 105.8(7) . . ?
C028 B04A B04L 106.3(7) . . ?
B046 B04A H04K 119.7 . . ?
B046 B04A B04L 109.8(8) . . ?
B04E B04A B046 110.2(7) . . ?
B04E B04A H04K 121.0 . . ?
B04E B04A B04K 107.5(8) . . ?
B04E B04A B04L 59.6(6) . . ?
B04K B04A B046 61.1(7) . . ?
B04K B04A H04K 122.6 . . ?
B04K B04A B04L 59.5(7) . . ?
B04L B04A H04K 122.0 . . ?
B046 B04B B049 61.8(6) . . ?
B046 B04B H04L 120.3 . . ?
B046 B04B B04F 108.1(7) . . ?
B049 B04B H04L 121.6 . . ?
B049 B04B B04F 58.1(6) . . ?
B04F B04B H04L 122.7 . . ?
B04K B04B B046 60.5(7) . . ?
B04K B04B B049 108.9(7) . . ?
B04K B04B H04L 121.5 . . ?
B04K B04B B04F 107.5(9) . . ?
B04K B04B B04N 60.3(7) . . ?
B04N B04B B046 109.8(8) . . ?
B04N B04B B049 108.2(8) . . ?
B04N B04B H04L 120.9 . . ?
B04N B04B B04F 60.5(7) . . ?
C029 B04C B03L 58.4(6) . . ?
C029 B04C B047 59.1(5) . . ?
C029 B04C H04C 125.0 . . ?
C029 B04C B04D 104.2(8) . . ?
C029 B04C B04J 104.2(7) . . ?
B03L B04C B047 108.6(7) . . ?
B03L B04C H04C 120.9 . . ?
B03L B04C B04D 61.0(7) . . ?
B03L B04C B04J 107.8(9) . . ?
B047 B04C H04C 121.3 . . ?
B047 B04C B04J 59.9(6) . . ?
B04D B04C B047 107.1(8) . . ?
B04D B04C H04C 123.0 . . ?
B04D B04C B04J 58.4(8) . . ?
B04J B04C H04C 123.1 . . ?
B03L B04D B043 59.4(6) . . ?
B03L B04D H04D 122.8 . . ?
B043 B04D H04D 121.4 . . ?
B04C B04D B03L 59.0(6) . . ?
B04C B04D B043 108.2(7) . . ?
B04C B04D H04D 121.0 . . ?
B04G B04D B03L 107.7(8) . . ?
B04G B04D B043 60.1(8) . . ?
B04G B04D B04C 110.5(9) . . ?
B04G B04D H04D 120.5 . . ?
B04J B04D B03L 108.8(8) . . ?
B04J B04D B043 110.5(8) . . ?
B04J B04D B04C 61.6(8) . . ?
B04J B04D H04D 119.5 . . ?
B04J B04D B04G 62.2(9) . . ?
C028 B04E B04A 58.5(6) . . ?
C028 B04E H04M 123.6 . . ?
C028 B04E B04I 106.2(7) . . ?
C028 B04E B04L 106.3(8) . . ?
C02Z B04E C028 57.6(5) . . ?
C02Z B04E B04A 104.5(8) . . ?
C02Z B04E H04M 124.5 . . ?
C02Z B04E B04I 59.4(6) . . ?
C02Z B04E B04L 104.9(7) . . ?
B04A B04E H04M 122.0 . . ?
B04A B04E B04I 108.3(8) . . ?
B04A B04E B04L 61.3(7) . . ?
B04I B04E H04M 121.8 . . ?
B04L B04E H04M 122.5 . . ?
B04L B04E B04I 59.1(6) . . ?
C02Z B04F B049 59.2(6) . . ?
C02Z B04F B04B 104.1(7) . . ?
C02Z B04F H04N 124.5 . . ?
C02Z B04F B04I 59.9(5) . . ?
C02Z B04F B04N 104.7(7) . . ?
B049 B04F B04B 60.8(7) . . ?
B049 B04F H04N 119.8 . . ?
B049 B04F B04I 110.0(7) . . ?
B049 B04F B04N 109.2(8) . . ?
B04B B04F H04N 123.5 . . ?
B04B B04F B04N 59.0(7) . . ?
B04I B04F B04B 106.3(8) . . ?
B04I B04F H04N 121.4 . . ?
B04I B04F B04N 59.0(7) . . ?
B04N B04F H04N 122.8 . . ?
B041 B04G B043 61.4(7) . . ?
B041 B04G H04G 120.9 . . ?
B041 B04G B04J 108.2(8) . . ?
B043 B04G H04G 120.2 . . ?
B043 B04G B04J 108.6(9) . . ?
B045 B04G B041 59.4(7) . . ?
B045 B04G B043 108.8(8) . . ?
B045 B04G H04G 122.2 . . ?
B045 B04G B04J 60.2(8) . . ?
B04D B04G B041 109.7(8) . . ?
B04D B04G B043 61.7(7) . . ?
B04D B04G B045 107.0(9) . . ?
B04D B04G H04G 121.7 . . ?
B04D B04G B04J 58.3(8) . . ?
B04J B04G H04G 122.3 . . ?
C03Y C04H H04O 109.5 . . ?
C03Y C04H H04P 109.5 . . ?
C03Y C04H H04Q 109.5 . . ?
H04O C04H H04P 109.5 . . ?
H04O C04H H04Q 109.5 . . ?
H04P C04H H04Q 109.5 . . ?
C02Z B04I B04E 57.6(5) . . ?
C02Z B04I B04F 57.5(6) . . ?
C02Z B04I H04R 125.8 . . ?
C02Z B04I B04L 104.0(8) . . ?
C02Z B04I B04N 104.9(9) . . ?
B04E B04I H04R 122.5 . . ?
B04F B04I B04E 106.4(8) . . ?
B04F B04I H04R 121.4 . . ?
B04L B04I B04E 59.7(6) . . ?
B04L B04I B04F 109.1(9) . . ?
B04L B04I H04R 122.0 . . ?
B04L B04I B04N 60.6(7) . . ?
B04N B04I B04E 108.0(9) . . ?
B04N B04I B04F 61.7(7) . . ?
B04N B04I H04R 121.3 . . ?
B045 B04J B04C 107.8(7) . . ?
B045 B04J B04G 58.8(8) . . ?
B045 B04J H04J 122.0 . . ?
B047 B04J B045 61.1(6) . . ?
B047 B04J B04C 59.6(6) . . ?
B047 B04J B04G 107.9(8) . . ?
B047 B04J H04J 121.2 . . ?
B04C B04J B04G 107.1(9) . . ?
B04C B04J H04J 122.1 . . ?
B04D B04J B045 106.9(10) . . ?
B04D B04J B047 108.0(8) . . ?
B04D B04J B04C 59.9(7) . . ?
B04D B04J B04G 59.5(8) . . ?
B04D B04J H04J 122.1 . . ?
B04G B04J H04J 122.5 . . ?
B046 B04K H04S 120.2 . . ?
B04A B04K B046 59.7(6) . . ?
B04A B04K H04S 121.5 . . ?
B04A B04K B04L 61.3(7) . . ?
B04A B04K B04N 109.5(8) . . ?
B04B B04K B046 61.2(7) . . ?
B04B B04K B04A 108.3(7) . . ?
B04B B04K H04S 121.2 . . ?
B04B B04K B04L 109.0(9) . . ?
B04B B04K B04N 60.9(7) . . ?
B04L B04K B046 110.0(7) . . ?
B04L B04K H04S 120.8 . . ?
B04L B04K B04N 60.2(7) . . ?
B04N B04K B046 110.9(8) . . ?
B04N B04K H04S 120.3 . . ?
B04A B04L H04T 122.3 . . ?
B04E B04L B04A 59.1(6) . . ?
B04E B04L H04T 121.7 . . ?
B04E B04L B04N 108.8(8) . . ?
B04I B04L B04A 108.1(8) . . ?
B04I B04L B04E 61.2(6) . . ?
B04I B04L B04K 108.0(9) . . ?
B04I B04L H04T 121.1 . . ?
B04I B04L B04N 60.1(7) . . ?
B04K B04L B04A 59.2(7) . . ?
B04K B04L B04E 106.8(9) . . ?
B04K B04L H04T 122.4 . . ?
B04K B04L B04N 60.3(8) . . ?
B04N B04L B04A 107.9(10) . . ?
B04N B04L H04T 121.2 . . ?
C039 C04M H04U 109.5 . . ?
C039 C04M H04V 109.5 . . ?
C039 C04M H04W 109.5 . . ?
H04U C04M H04V 109.5 . . ?
H04U C04M H04W 109.5 . . ?
H04V C04M H04W 109.5 . . ?
B04B B04N B04F 60.5(7) . . ?
B04B B04N H04X 121.9 . . ?
B04F B04N H04X 122.5 . . ?
B04I B04N B04B 107.8(8) . . ?
B04I B04N B04F 59.4(6) . . ?
B04I B04N B04K 106.7(8) . . ?
B04I B04N B04L 59.3(7) . . ?
B04I B04N H04X 122.2 . . ?
B04K B04N B04B 58.8(8) . . ?
B04K B04N B04F 106.4(9) . . ?
B04K B04N H04X 122.9 . . ?
B04L B04N B04B 106.8(9) . . ?
B04L B04N B04F 106.3(7) . . ?
B04L B04N B04K 59.5(7) . . ?
B04L B04N H04X 122.7 . . ?
C03Q C04O H04Y 109.5 . . ?
C03Q C04O HS 109.5 . . ?
C03Q C04O HT 109.5 . . ?
H04Y C04O HS 109.5 . . ?
H04Y C04O HT 109.5 . . ?
HS C04O HT 109.5 . . ?

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
Ir01 S007 C018 N00D -128.4(5) . . . . ?
Ir01 S007 C018 C012 48.7(4) . . . . ?
Ir01 C00K C00L C00U 62.3(4) . . . . ?
Ir01 C00K C00L C01X -123.6(6) . . . . ?
Ir01 C00K C00Y C00P -59.4(4) . . . . ?
Ir01 C00K C00Y C01W 122.5(6) . . . . ?
Ir01 C00L C00U C00P 62.2(4) . . . . ?
Ir01 C00L C00U C02G -123.5(6) . . . . ?
Ir01 C00P C00U C00L -62.8(4) . . . . ?
Ir01 C00P C00U C02G 123.0(6) . . . . ?
Ir01 C00P C00Y C00K 62.0(4) . . . . ?
Ir01 C00P C00Y C01W -119.8(6) . . . . ?
Ir01 B02R B030 B02F 87.5(6) . . . . ?
Ir01 B02R B030 B03C 124.4(6) . . . . ?
Ir01 B02R B030 B03E -134.9(6) . . . . ?
Ir01 B02R B030 B03T -170.9(5) . . . . ?
Ir01 B02R B03E C02P -115.9(8) . . . . ?
Ir01 B02R B03E B030 110.5(8) . . . . ?
Ir01 B02R B03E B03T 147.1(7) . . . . ?
Ir01 B02R B03E B03U -150.0(7) . . . . ?
Ir02 S008 C00V N00F 126.7(6) . . . . ?
Ir02 S008 C00V C00N -48.7(4) . . . . ?
Ir02 C00S C00X C01Z -62.3(4) . . . . ?
Ir02 C00S C00X C02K 123.4(6) . . . . ?
Ir02 C00S C011 C014 -121.2(6) . . . . ?
Ir02 C00S C011 C019 60.3(4) . . . . ?
Ir02 C00X C01Z C019 -64.6(4) . . . . ?
Ir02 C00X C01Z C02E 124.4(6) . . . . ?
Ir02 C011 C019 C01Z 59.5(4) . . . . ?
Ir02 C011 C019 C023 -121.3(6) . . . . ?
Ir02 C019 C01Z C00X 62.9(4) . . . . ?
Ir02 C019 C01Z C02E -126.1(7) . . . . ?
Ir02 B026 B02V B01G -87.2(6) . . . . ?
Ir02 B026 B02V B02X 135.4(6) . . . . ?
Ir02 B026 B02V B03G -123.5(6) . . . . ?
Ir02 B026 B02V B03X 171.8(5) . . . . ?
Ir02 B026 B02X C01Y 114.5(9) . . . . ?
Ir02 B026 B02X B02V -112.0(9) . . . . ?
Ir02 B026 B02X B03M 148.4(7) . . . . ?
Ir02 B026 B02X B03X -148.3(7) . . . . ?
Ir03 S009 C01N N00E 12.6(6) . . . . ?
Ir03 S009 C01N C01H -164.2(4) . . . . ?
Ir03 S00A C021 N00I -4.3(7) . . . . ?
Ir03 S00A C021 C01L 173.9(5) . . . . ?
Ir03 C010 C01R N00I 82.4(6) . . . . ?
Ir03 C010 C01R C01Q -105.1(6) . . . . ?
Ir03 C01C C01K C024 -58.7(5) . . . . ?
Ir03 C01C C01K C031 127.2(7) . . . . ?
Ir03 C01C C020 C025 61.5(5) . . . . ?
Ir03 C01C C020 C03R -119.1(7) . . . . ?
Ir03 C01K C024 C025 -62.5(5) . . . . ?
Ir03 C01K C024 C02J 124.6(8) . . . . ?
Ir03 C020 C025 C024 61.9(5) . . . . ?
Ir03 C020 C025 C02Y -120.9(8) . . . . ?
Ir03 C024 C025 C020 -61.9(5) . . . . ?
Ir03 C024 C025 C02Y 120.7(7) . . . . ?
Ir04 S008 C00V N00F -155.2(5) . . . . ?
Ir04 S008 C00V C00N 29.4(5) . . . . ?
Ir04 C01A C01B C01T 58.5(5) . . . . ?
Ir04 C01A C01B C02H -124.3(8) . . . . ?
Ir04 C01A C01I C01J -62.0(4) . . . . ?
Ir04 C01A C01I C02B 121.9(7) . . . . ?
Ir04 C01B C01T C01J 62.8(5) . . . . ?
Ir04 C01B C01T C03K -125.0(8) . . . . ?
Ir04 B01G B026 Ir02 2.9(5) . . . . ?
Ir04 B01G B026 C00N 109.8(4) . . . . ?
Ir04 B01G B026 C01Y 142.6(4) . . . . ?
Ir04 B01G B026 B02V -121.5(5) . . . . ?
Ir04 B01G B026 B02X -158.9(5) . . . . ?
Ir04 B01G B02I C00N -95.4(6) . . . . ?
Ir04 B01G B02I B02S -126.9(6) . . . . ?
Ir04 B01G B02I B03G 131.9(7) . . . . ?
Ir04 B01G B02I B03V 169.5(5) . . . . ?
Ir04 B01G B02V B026 86.9(6) . . . . ?
Ir04 B01G B02V B02X 125.7(6) . . . . ?
Ir04 B01G B02V B03G -132.9(6) . . . . ?
Ir04 B01G B02V B03X -170.6(5) . . . . ?
Ir04 B01G B03G B02I -115.8(8) . . . . ?
Ir04 B01G B03G B02V 107.9(8) . . . . ?
Ir04 B01G B03G B03V -152.1(6) . . . . ?
Ir04 B01G B03G B03X 144.9(7) . . . . ?
Ir04 C01I C01J C01T -62.8(5) . . . . ?
Ir04 C01I C01J C03D 122.8(7) . . . . ?
Ir04 C01J C01T C01B -65.4(5) . . . . ?
Ir04 C01J C01T C03K 122.3(8) . . . . ?
Ir05 S007 C018 N00D 153.4(5) . . . . ?
Ir05 S007 C018 C012 -29.5(4) . . . . ?
Ir05 C00R C00W C01O 64.9(5) . . . . ?
Ir05 C00R C00W C02T -120.8(8) . . . . ?
Ir05 C00R C015 C01D -65.1(5) . . . . ?
Ir05 C00R C015 C027 117.6(7) . . . . ?
Ir05 C00W C01O C01D 62.0(5) . . . . ?
Ir05 C00W C01O C033 -120.4(7) . . . . ?
Ir05 C015 C01D C01O -60.1(5) . . . . ?
Ir05 C015 C01D C02M 122.3(7) . . . . ?
Ir05 C01D C01O C00W -59.2(5) . . . . ?
Ir05 C01D C01O C033 123.3(8) . . . . ?
Ir05 B02F B02R Ir01 -1.7(4) . . . . ?
Ir05 B02F B02R C012 -109.3(4) . . . . ?
Ir05 B02F B02R C02P -142.2(4) . . . . ?
Ir05 B02F B02R B030 121.3(5) . . . . ?
Ir05 B02F B02R B03E 158.6(4) . . . . ?
Ir05 B02F B02W C012 93.6(6) . . . . ?
Ir05 B02F B02W B03C -133.6(7) . . . . ?
Ir05 B02F B02W B03H -171.0(5) . . . . ?
Ir05 B02F B02W B03J 125.7(6) . . . . ?
Ir05 B02F B030 B02R -86.0(6) . . . . ?
Ir05 B02F B030 B03C 135.1(6) . . . . ?
Ir05 B02F B030 B03E -124.3(6) . . . . ?
Ir05 B02F B030 B03T 172.4(5) . . . . ?
Ir05 B02F B03C B02W 116.3(8) . . . . ?
Ir05 B02F B03C B030 -107.8(8) . . . . ?
Ir05 B02F B03C B03H 152.8(6) . . . . ?
Ir05 B02F B03C B03T -144.0(7) . . . . ?
Ir06 S00B C01F N00G -8.9(7) . . . . ?
Ir06 S00B C01F C01E 168.8(4) . . . . ?
Ir06 S00C C01P N00H 3.4(7) . . . . ?
Ir06 S00C C01P C028 -175.4(4) . . . . ?
Ir06 C00O C013 N00H -82.7(6) . . . . ?
Ir06 C00O C013 C01S 105.0(6) . . . . ?
Ir06 C037 C03I C039 -62.0(5) . . . . ?
Ir06 C037 C03I C042 123.7(8) . . . . ?
Ir06 C037 C03Q C03Y 62.0(6) . . . . ?
Ir06 C037 C03Q C04O -122.9(10) . . . . ?
Ir06 C039 C03I C037 64.0(5) . . . . ?
Ir06 C039 C03I C042 -121.7(8) . . . . ?
Ir06 C039 C03Y C03Q -61.9(6) . . . . ?
Ir06 C039 C03Y C04H 119.3(11) . . . . ?
Ir06 C03Q C03Y C039 61.7(6) . . . . ?
Ir06 C03Q C03Y C04H -119.5(9) . . . . ?
S00C C01P C028 C02Z 163.6(5) . . . . ?
S00C C01P C028 B046 18.4(9) . . . . ?
S00C C01P C028 B049 95.0(7) . . . . ?
S00C C01P C028 B04A -57.6(9) . . . . ?
S00C C01P C028 B04E -128.7(6) . . . . ?
N00D C016 C01M C00Q -175.9(5) . . . . ?
N00D C016 C01Q C01R 177.9(6) . . . . ?
N00E C00Q C010 Ir03 -79.6(6) . . . . ?
N00E C00Q C010 C01R 171.8(5) . . . . ?
N00E C00Q C01M C016 -173.3(5) . . . . ?
N00G C00J C00O Ir06 81.2(6) . . . . ?
N00G C00J C00O C013 -170.6(5) . . . . ?
N00G C00J C00Z C01U 173.7(5) . . . . ?
N00H C013 C01S C01U -169.6(6) . . . . ?
N00H C01P C028 C02Z -15.4(9) . . . . ?
N00H C01P C028 B046 -160.6(7) . . . . ?
N00H C01P C028 B049 -84.0(8) . . . . ?
N00H C01P C028 B04A 123.4(8) . . . . ?
N00H C01P C028 B04E 52.2(8) . . . . ?
C00J N00G C01F S00B -11.4(9) . . . . ?
C00J N00G C01F C01E 170.9(5) . . . . ?
C00J C00O C013 N00H 168.0(6) . . . . ?
C00J C00O C013 C01S -4.2(9) . . . . ?
C00J C00Z C01U N00F 174.0(6) . . . . ?
C00J C00Z C01U C01S -1.4(9) . . . . ?
C00K C00L C00U Ir01 -64.8(4) . . . . ?
C00K C00L C00U C00P -2.6(7) . . . . ?
C00K C00L C00U C02G 171.7(6) . . . . ?
C00L C00K C00Y Ir01 58.8(4) . . . . ?
C00L C00K C00Y C00P -0.6(7) . . . . ?
C00L C00K C00Y C01W -178.7(6) . . . . ?
C00M C01H C01N S009 162.2(4) . . . . ?
C00M C01H C01N N00E -15.1(8) . . . . ?
C00M C01H B02O B02C 35.1(4) . . . . ?
C00M C01H B02O B032 96.8(5) . . . . ?
C00M C01H B02O B03A 136.8(5) . . . . ?
C00M C01H B034 B02D -35.0(4) . . . . ?
C00M C01H B034 B02Q -97.7(5) . . . . ?
C00M C01H B034 B03F -138.0(5) . . . . ?
C00M C01H B03A B02N 62.5(7) . . . . ?
C00M C01H B03A B02O -40.3(5) . . . . ?
C00M C01H B03A B032 -0.3(7) . . . . ?
C00M C01H B03A B03F 103.4(6) . . . . ?
C00M C01H B03F B02N -63.4(6) . . . . ?
C00M C01H B03F B02Q -0.9(7) . . . . ?
C00M C01H B03F B034 38.9(5) . . . . ?
C00M C01H B03F B03A -103.4(5) . . . . ?
C00M B02C B02D B02A 134.0(6) . . . . ?
C00M B02C B02D B02Q 96.8(6) . . . . ?
C00M B02C B02D B034 33.2(5) . . . . ?
C00M B02C B02O C01H -34.7(4) . . . . ?
C00M B02C B02O B032 -133.8(6) . . . . ?
C00M B02C B02O B03A -95.5(5) . . . . ?
C00M B02C B032 B02A -98.4(6) . . . . ?
C00M B02C B032 B02N -61.1(7) . . . . ?
C00M B02C B032 B02O 39.8(5) . . . . ?
C00M B02C B032 B03A 1.4(8) . . . . ?
C00M B02D B02Q B02A 98.0(6) . . . . ?
C00M B02D B02Q B02N 60.2(7) . . . . ?
C00M B02D B02Q B034 -39.9(5) . . . . ?
C00M B02D B02Q B03F -2.1(7) . . . . ?
C00M B02D B034 C01H 34.5(4) . . . . ?
C00M B02D B034 B02Q 133.9(6) . . . . ?
C00M B02D B034 B03F 95.2(5) . . . . ?
C00M B02O B032 B02A -1.7(7) . . . . ?
C00M B02O B032 B02C -38.9(5) . . . . ?
C00M B02O B032 B02N 61.4(7) . . . . ?
C00M B02O B032 B03A 97.9(5) . . . . ?
C00M B02O B03A C01H 36.1(4) . . . . ?
C00M B02O B03A B02N -60.7(6) . . . . ?
C00M B02O B03A B032 -98.0(6) . . . . ?
C00M B02O B03A B03F 3.8(7) . . . . ?
C00M B034 B03F C01H -35.2(4) . . . . ?
C00M B034 B03F B02N 61.0(6) . . . . ?
C00M B034 B03F B02Q 99.1(6) . . . . ?
C00M B034 B03F B03A -1.8(7) . . . . ?
C00N B01G B026 Ir02 -106.9(4) . . . . ?
C00N B01G B026 C01Y 32.9(4) . . . . ?
C00N B01G B026 B02V 128.7(5) . . . . ?
C00N B01G B026 B02X 91.4(5) . . . . ?
C00N B01G B02I B02S -31.5(5) . . . . ?
C00N B01G B02I B03G -132.6(6) . . . . ?
C00N B01G B02I B03V -95.1(6) . . . . ?
C00N B01G B02V B026 -43.4(5) . . . . ?
C00N B01G B02V B02X -4.6(6) . . . . ?
C00N B01G B02V B03G 96.8(6) . . . . ?
C00N B01G B02V B03X 59.1(7) . . . . ?
C00N B01G B03G B02I 39.1(5) . . . . ?
C00N B01G B03G B02V -97.2(6) . . . . ?
C00N B01G B03G B03V 2.8(7) . . . . ?
C00N B01G B03G B03X -60.2(6) . . . . ?
C00N C01Y B026 Ir02 90.9(6) . . . . ?
C00N C01Y B026 B01G -33.9(4) . . . . ?
C00N C01Y B026 B02V -96.0(5) . . . . ?
C00N C01Y B026 B02X -135.4(6) . . . . ?
C00N C01Y B02S B02I 34.1(4) . . . . ?
C00N C01Y B02S B03M 136.7(6) . . . . ?
C00N C01Y B02S B03V 96.8(6) . . . . ?
C00N C01Y B02X B026 40.3(5) . . . . ?
C00N C01Y B02X B02V -0.2(7) . . . . ?
C00N C01Y B02X B03M -102.1(6) . . . . ?
C00N C01Y B02X B03X -63.0(7) . . . . ?
C00N C01Y B03M B02S -39.1(5) . . . . ?
C00N C01Y B03M B02X 102.3(6) . . . . ?
C00N C01Y B03M B03V 0.1(8) . . . . ?
C00N C01Y B03M B03X 63.1(7) . . . . ?
C00N B026 B02V B01G 42.5(5) . . . . ?
C00N B026 B02V B02X -94.9(5) . . . . ?
C00N B026 B02V B03G 6.2(7) . . . . ?
C00N B026 B02V B03X -58.5(7) . . . . ?
C00N B026 B02X C01Y -36.0(5) . . . . ?
C00N B026 B02X B02V 97.5(5) . . . . ?
C00N B026 B02X B03M -2.1(7) . . . . ?
C00N B026 B02X B03X 61.2(7) . . . . ?
C00N B02I B02S C01Y -33.8(4) . . . . ?
C00N B02I B02S B03M -94.4(6) . . . . ?
C00N B02I B02S B03V -133.7(5) . . . . ?
C00N B02I B03G B01G -40.9(5) . . . . ?
C00N B02I B03G B02V -2.2(7) . . . . ?
C00N B02I B03G B03V 98.5(6) . . . . ?
C00N B02I B03G B03X 60.3(6) . . . . ?
C00N B02I B03V B02S 40.1(5) . . . . ?
C00N B02I B03V B03G -99.6(6) . . . . ?
C00N B02I B03V B03M 0.7(7) . . . . ?
C00N B02I B03V B03X -61.3(7) . . . . ?
C00N B02S B03M C01Y 35.9(5) . . . . ?
C00N B02S B03M B02X 2.3(8) . . . . ?
C00N B02S B03M B03V -98.6(6) . . . . ?
C00N B02S B03M B03X -60.9(7) . . . . ?
C00N B02S B03V B02I -38.7(5) . . . . ?
C00N B02S B03V B03G -2.9(7) . . . . ?
C00N B02S B03V B03M 97.4(6) . . . . ?
C00N B02S B03V B03X 60.3(7) . . . . ?
C00O C00J C00Z C01U -0.2(9) . . . . ?
C00O C013 C01S C01U 2.7(10) . . . . ?
C00Q N00E C01N S009 10.4(9) . . . . ?
C00Q N00E C01N C01H -172.9(5) . . . . ?
C00Q C010 C01R N00I -168.9(6) . . . . ?
C00Q C010 C01R C01Q 3.6(9) . . . . ?
C00R C00W C01O Ir05 -62.1(5) . . . . ?
C00R C00W C01O C01D -0.1(8) . . . . ?
C00R C00W C01O C033 177.4(7) . . . . ?
C00R C015 C01D Ir05 61.7(5) . . . . ?
C00R C015 C01D C01O 1.5(8) . . . . ?
C00R C015 C01D C02M -176.1(7) . . . . ?
C00S C00X C01Z Ir02 62.9(4) . . . . ?
C00S C00X C01Z C019 -1.7(7) . . . . ?
C00S C00X C01Z C02E -172.8(6) . . . . ?
C00S C011 C019 Ir02 -59.2(4) . . . . ?
C00S C011 C019 C01Z 0.4(7) . . . . ?
C00S C011 C019 C023 179.5(6) . . . . ?
C00T C01E C01F S00B -169.2(4) . . . . ?
C00T C01E C01F N00G 8.9(8) . . . . ?
C00T C01E B035 B036 35.2(5) . . . . ?
C00T C01E B035 B03N 137.0(6) . . . . ?
C00T C01E B035 B03O 97.4(5) . . . . ?
C00T C01E B03N B035 -39.4(5) . . . . ?
C00T C01E B03N B03B 63.3(7) . . . . ?
C00T C01E B03N B03O -0.2(7) . . . . ?
C00T C01E B03N B044 102.7(6) . . . . ?
C00T C01E B040 B038 -35.2(5) . . . . ?
C00T C01E B040 B03Z -97.4(6) . . . . ?
C00T C01E B040 B044 -137.3(6) . . . . ?
C00T C01E B044 B03B -63.8(7) . . . . ?
C00T C01E B044 B03N -103.1(6) . . . . ?
C00T C01E B044 B03Z -1.1(8) . . . . ?
C00T C01E B044 B040 39.0(5) . . . . ?
C00T B035 B036 B038 32.2(5) . . . . ?
C00T B035 B036 B03O 133.5(6) . . . . ?
C00T B035 B036 B03S 95.5(6) . . . . ?
C00T B035 B03N C01E 36.3(5) . . . . ?
C00T B035 B03N B03B -60.4(7) . . . . ?
C00T B035 B03N B03O -98.4(6) . . . . ?
C00T B035 B03N B044 2.9(7) . . . . ?
C00T B035 B03O B036 -39.5(5) . . . . ?
C00T B035 B03O B03B 61.3(7) . . . . ?
C00T B035 B03O B03N 98.1(6) . . . . ?
C00T B035 B03O B03S -2.3(8) . . . . ?
C00T B036 B038 B03S 133.5(6) . . . . ?
C00T B036 B038 B03Z 95.2(6) . . . . ?
C00T B036 B038 B040 32.6(5) . . . . ?
C00T B036 B03O B035 39.9(5) . . . . ?
C00T B036 B03O B03B -60.7(7) . . . . ?
C00T B036 B03O B03N 1.6(8) . . . . ?
C00T B036 B03O B03S -98.3(6) . . . . ?
C00T B036 B03S B038 -39.4(5) . . . . ?
C00T B036 B03S B03B 61.3(7) . . . . ?
C00T B036 B03S B03O 98.8(6) . . . . ?
C00T B036 B03S B03Z -1.2(8) . . . . ?
C00T B038 B03S B036 40.0(6) . . . . ?
C00T B038 B03S B03B -60.4(8) . . . . ?
C00T B038 B03S B03O 2.9(8) . . . . ?
C00T B038 B03S B03Z -97.5(6) . . . . ?
C00T B038 B03Z B03B 61.8(7) . . . . ?
C00T B038 B03Z B03S 99.5(6) . . . . ?
C00T B038 B03Z B040 -40.2(5) . . . . ?
C00T B038 B03Z B044 -1.3(8) . . . . ?
C00T B038 B040 C01E 35.0(4) . . . . ?
C00T B038 B040 B03Z 132.9(6) . . . . ?
C00T B038 B040 B044 94.9(6) . . . . ?
C00T B040 B044 C01E -35.8(5) . . . . ?
C00T B040 B044 B03B 60.9(7) . . . . ?
C00T B040 B044 B03N -2.2(8) . . . . ?
C00T B040 B044 B03Z 98.0(7) . . . . ?
C00U C00P C00Y Ir01 -63.0(4) . . . . ?
C00U C00P C00Y C00K -1.0(7) . . . . ?
C00U C00P C00Y C01W 177.1(6) . . . . ?
C00V N00F C01U C00Z 110.8(7) . . . . ?
C00V N00F C01U C01S -73.8(9) . . . . ?
C00V C00N B01G Ir04 7.9(7) . . . . ?
C00V C00N B01G B026 100.6(5) . . . . ?
C00V C00N B01G B02I -114.8(6) . . . . ?
C00V C00N B01G B02V 144.2(5) . . . . ?
C00V C00N B01G B03G -154.9(5) . . . . ?
C00V C00N C01Y B026 -100.6(6) . . . . ?
C00V C00N C01Y B02S 111.3(6) . . . . ?
C00V C00N C01Y B02X -141.9(6) . . . . ?
C00V C00N C01Y B03M 151.0(6) . . . . ?
C00V C00N B026 Ir02 -14.1(7) . . . . ?
C00V C00N B026 B01G -108.9(6) . . . . ?
C00V C00N B026 C01Y 110.8(6) . . . . ?
C00V C00N B026 B02V -152.7(5) . . . . ?
C00V C00N B026 B02X 147.1(6) . . . . ?
C00V C00N B02I B01G 104.9(6) . . . . ?
C00V C00N B02I B02S -109.7(7) . . . . ?
C00V C00N B02I B03G 146.8(6) . . . . ?
C00V C00N B02I B03V -149.6(6) . . . . ?
C00V C00N B02S C01Y -107.1(6) . . . . ?
C00V C00N B02S B02I 113.4(6) . . . . ?
C00V C00N B02S B03M -143.8(6) . . . . ?
C00V C00N B02S B03V 153.8(6) . . . . ?
C00W C00R C015 Ir05 63.5(5) . . . . ?
C00W C00R C015 C01D -1.6(8) . . . . ?
C00W C00R C015 C027 -178.9(7) . . . . ?
C00X C00S C011 Ir02 -61.7(4) . . . . ?
C00X C00S C011 C014 177.1(6) . . . . ?
C00X C00S C011 C019 -1.4(7) . . . . ?
C00Y C00K C00L Ir01 -60.3(4) . . . . ?
C00Y C00K C00L C00U 2.0(7) . . . . ?
C00Y C00K C00L C01X 176.2(6) . . . . ?
C00Y C00P C00U Ir01 65.0(4) . . . . ?
C00Y C00P C00U C00L 2.2(7) . . . . ?
C00Y C00P C00U C02G -172.0(6) . . . . ?
C00Z C00J C00O Ir06 -105.2(5) . . . . ?
C00Z C00J C00O C013 3.0(9) . . . . ?
C010 C00Q C01M C016 0.4(9) . . . . ?
C011 C00S C00X Ir02 64.2(4) . . . . ?
C011 C00S C00X C01Z 1.9(7) . . . . ?
C011 C00S C00X C02K -172.4(6) . . . . ?
C011 C019 C01Z Ir02 -62.1(4) . . . . ?
C011 C019 C01Z C00X 0.8(7) . . . . ?
C011 C019 C01Z C02E 171.8(6) . . . . ?
C012 B02F B02R Ir01 107.6(4) . . . . ?
C012 B02F B02R C02P -32.9(4) . . . . ?
C012 B02F B02R B030 -129.4(5) . . . . ?
C012 B02F B02R B03E -92.1(5) . . . . ?
C012 B02F B02W B03C 132.8(6) . . . . ?
C012 B02F B02W B03H 95.4(6) . . . . ?
C012 B02F B02W B03J 32.1(4) . . . . ?
C012 B02F B030 B02R 42.5(5) . . . . ?
C012 B02F B030 B03C -96.4(5) . . . . ?
C012 B02F B030 B03E 4.2(6) . . . . ?
C012 B02F B030 B03T -59.1(7) . . . . ?
C012 B02F B03C B02W -38.6(5) . . . . ?
C012 B02F B03C B030 97.2(5) . . . . ?
C012 B02F B03C B03H -2.1(6) . . . . ?
C012 B02F B03C B03T 61.1(6) . . . . ?
C012 C02P B02R Ir01 -91.9(6) . . . . ?
C012 C02P B02R B02F 33.7(4) . . . . ?
C012 C02P B02R B030 95.4(5) . . . . ?
C012 C02P B02R B03E 135.1(6) . . . . ?
C012 C02P B03E B02R -40.8(5) . . . . ?
C012 C02P B03E B030 0.0(7) . . . . ?
C012 C02P B03E B03T 63.2(7) . . . . ?
C012 C02P B03E B03U 101.3(6) . . . . ?
C012 C02P B03J B02W -33.6(4) . . . . ?
C012 C02P B03J B03H -96.3(6) . . . . ?
C012 C02P B03J B03U -136.4(6) . . . . ?
C012 C02P B03U B03E -102.5(6) . . . . ?
C012 C02P B03U B03H -0.3(8) . . . . ?
C012 C02P B03U B03J 39.2(6) . . . . ?
C012 C02P B03U B03T -64.3(7) . . . . ?
C012 B02R B030 B02F -41.9(5) . . . . ?
C012 B02R B030 B03C -5.0(7) . . . . ?
C012 B02R B030 B03E 95.7(5) . . . . ?
C012 B02R B030 B03T 59.7(6) . . . . ?
C012 B02R B03E C02P 36.6(5) . . . . ?
C012 B02R B03E B030 -97.1(5) . . . . ?
C012 B02R B03E B03T -60.5(7) . . . . ?
C012 B02R B03E B03U 2.5(7) . . . . ?
C012 B02W B03C B02F 40.7(5) . . . . ?
C012 B02W B03C B030 1.6(7) . . . . ?
C012 B02W B03C B03H -98.8(6) . . . . ?
C012 B02W B03C B03T -60.3(6) . . . . ?
C012 B02W B03H B03C 99.2(6) . . . . ?
C012 B02W B03H B03J -40.0(5) . . . . ?
C012 B02W B03H B03T 60.3(7) . . . . ?
C012 B02W B03H B03U -1.5(7) . . . . ?
C012 B02W B03J C02P 33.4(4) . . . . ?
C012 B02W B03J B03H 133.9(5) . . . . ?
C012 B02W B03J B03U 94.9(6) . . . . ?
C012 B03J B03U C02P -36.4(5) . . . . ?
C012 B03J B03U B03E -3.0(8) . . . . ?
C012 B03J B03U B03H 98.4(6) . . . . ?
C012 B03J B03U B03T 60.0(7) . . . . ?
C013 N00H C01P S00C 15.8(10) . . . . ?
C013 N00H C01P C028 -165.3(6) . . . . ?
C013 C01S C01U N00F -175.1(6) . . . . ?
C013 C01S C01U C00Z 0.1(10) . . . . ?
C014 C011 C019 Ir02 122.3(6) . . . . ?
C014 C011 C019 C01Z -178.2(6) . . . . ?
C014 C011 C019 C023 0.9(10) . . . . ?
C015 C00R C00W Ir05 -63.9(5) . . . . ?
C015 C00R C00W C01O 1.1(8) . . . . ?
C015 C00R C00W C02T 175.3(7) . . . . ?
C015 C01D C01O Ir05 58.4(5) . . . . ?
C015 C01D C01O C00W -0.9(8) . . . . ?
C015 C01D C01O C033 -178.3(7) . . . . ?
C016 N00D C018 S007 1.6(9) . . . . ?
C016 N00D C018 C012 -175.2(5) . . . . ?
C016 C01Q C01R N00I 168.2(6) . . . . ?
C016 C01Q C01R C010 -4.4(10) . . . . ?
C017 C00K C00L Ir01 122.3(6) . . . . ?
C017 C00K C00L C00U -175.4(6) . . . . ?
C017 C00K C00L C01X -1.3(10) . . . . ?
C017 C00K C00Y Ir01 -123.8(6) . . . . ?
C017 C00K C00Y C00P 176.9(6) . . . . ?
C017 C00K C00Y C01W -1.3(10) . . . . ?
C018 N00D C016 C01M -107.3(7) . . . . ?
C018 N00D C016 C01Q 77.9(8) . . . . ?
C018 C012 B02F Ir05 -8.2(7) . . . . ?
C018 C012 B02F B02R -100.3(6) . . . . ?
C018 C012 B02F B02W 115.7(6) . . . . ?
C018 C012 B02F B030 -143.0(5) . . . . ?
C018 C012 B02F B03C 155.2(5) . . . . ?
C018 C012 C02P B02R 100.6(6) . . . . ?
C018 C012 C02P B03E 141.9(6) . . . . ?
C018 C012 C02P B03J -111.5(6) . . . . ?
C018 C012 C02P B03U -150.7(6) . . . . ?
C018 C012 B02R Ir01 16.0(7) . . . . ?
C018 C012 B02R B02F 110.3(6) . . . . ?
C018 C012 B02R C02P -109.1(6) . . . . ?
C018 C012 B02R B030 153.3(5) . . . . ?
C018 C012 B02R B03E -146.1(5) . . . . ?
C018 C012 B02W B02F -106.1(6) . . . . ?
C018 C012 B02W B03C -147.4(6) . . . . ?
C018 C012 B02W B03H 148.8(6) . . . . ?
C018 C012 B02W B03J 109.2(7) . . . . ?
C018 C012 B03J C02P 105.3(6) . . . . ?
C018 C012 B03J B02W -114.4(6) . . . . ?
C018 C012 B03J B03H -154.6(6) . . . . ?
C018 C012 B03J B03U 142.8(6) . . . . ?
C01A C01B C01T Ir04 -61.6(5) . . . . ?
C01A C01B C01T C01J 1.2(8) . . . . ?
C01A C01B C01T C03K 173.5(7) . . . . ?
C01A C01I C01J Ir04 65.4(5) . . . . ?
C01A C01I C01J C01T 2.7(8) . . . . ?
C01A C01I C01J C03D -171.7(6) . . . . ?
C01B C01A C01I Ir04 60.1(5) . . . . ?
C01B C01A C01I C01J -1.9(8) . . . . ?
C01B C01A C01I C02B -178.0(7) . . . . ?
C01C C01K C024 Ir03 58.8(5) . . . . ?
C01C C01K C024 C025 -3.7(7) . . . . ?
C01C C01K C024 C02J -176.5(7) . . . . ?
C01C C020 C025 Ir03 -61.7(4) . . . . ?
C01C C020 C025 C024 0.2(8) . . . . ?
C01C C020 C025 C02Y 177.4(7) . . . . ?
C01E C00T B035 B036 -139.1(6) . . . . ?
C01E C00T B035 B03N -36.6(5) . . . . ?
C01E C00T B035 B03O -98.8(6) . . . . ?
C01E C00T B036 B035 38.4(5) . . . . ?
C01E C00T B036 B038 -105.1(6) . . . . ?
C01E C00T B036 B03O -1.8(7) . . . . ?
C01E C00T B036 B03S -64.9(7) . . . . ?
C01E C00T B038 B036 103.9(6) . . . . ?
C01E C00T B038 B03S 63.4(7) . . . . ?
C01E C00T B038 B03Z 0.6(8) . . . . ?
C01E C00T B038 B040 -39.6(5) . . . . ?
C01E C00T B040 B038 138.4(6) . . . . ?
C01E C00T B040 B03Z 97.5(6) . . . . ?
C01E C00T B040 B044 36.1(5) . . . . ?
C01E B035 B036 C00T -34.8(5) . . . . ?
C01E B035 B036 B038 -2.6(7) . . . . ?
C01E B035 B036 B03O 98.6(6) . . . . ?
C01E B035 B036 B03S 60.7(7) . . . . ?
C01E B035 B03N B03B -96.7(6) . . . . ?
C01E B035 B03N B03O -134.7(6) . . . . ?
C01E B035 B03N B044 -33.4(5) . . . . ?
C01E B035 B03O B036 -98.9(6) . . . . ?
C01E B035 B03O B03B 1.9(7) . . . . ?
C01E B035 B03O B03N 38.6(5) . . . . ?
C01E B035 B03O B03S -61.8(7) . . . . ?
C01E B03N B03O B035 -39.2(5) . . . . ?
C01E B03N B03O B036 -0.8(8) . . . . ?
C01E B03N B03O B03B 98.9(6) . . . . ?
C01E B03N B03O B03S 62.0(7) . . . . ?
C01E B03N B044 B03B -134.7(6) . . . . ?
C01E B03N B044 B03Z -97.1(6) . . . . ?
C01E B03N B044 B040 -34.1(5) . . . . ?
C01E B040 B044 B03B 96.7(7) . . . . ?
C01E B040 B044 B03N 33.6(5) . . . . ?
C01E B040 B044 B03Z 133.8(7) . . . . ?
C01F N00G C00J C00O -30.0(9) . . . . ?
C01F N00G C00J C00Z 156.3(6) . . . . ?
C01F C01E B035 C00T 106.7(6) . . . . ?
C01F C01E B035 B036 141.9(5) . . . . ?
C01F C01E B035 B03N -116.3(6) . . . . ?
C01F C01E B035 B03O -155.9(5) . . . . ?
C01F C01E B03N B035 104.5(7) . . . . ?
C01F C01E B03N B03B -152.8(6) . . . . ?
C01F C01E B03N B03O 143.7(6) . . . . ?
C01F C01E B03N B044 -113.4(7) . . . . ?
C01F C01E B040 C00T -106.9(6) . . . . ?
C01F C01E B040 B038 -142.1(6) . . . . ?
C01F C01E B040 B03Z 155.7(6) . . . . ?
C01F C01E B040 B044 115.8(6) . . . . ?
C01F C01E B044 B03B 153.5(6) . . . . ?
C01F C01E B044 B03N 114.2(7) . . . . ?
C01F C01E B044 B03Z -143.8(7) . . . . ?
C01F C01E B044 B040 -103.7(7) . . . . ?
B01G C00N C00V S008 -25.1(6) . . . . ?
B01G C00N C00V N00F 159.1(6) . . . . ?
B01G C00N C01Y B026 38.3(5) . . . . ?
B01G C00N C01Y B02S -109.8(6) . . . . ?
B01G C00N C01Y B02X -3.0(7) . . . . ?
B01G C00N C01Y B03M -70.1(7) . . . . ?
B01G C00N B026 Ir02 94.8(5) . . . . ?
B01G C00N B026 C01Y -140.3(5) . . . . ?
B01G C00N B026 B02V -43.8(5) . . . . ?
B01G C00N B026 B02X -104.0(5) . . . . ?
B01G C00N B02I B02S 145.4(5) . . . . ?
B01G C00N B02I B03G 41.9(5) . . . . ?
B01G C00N B02I B03V 105.6(6) . . . . ?
B01G C00N B02S C01Y 104.5(6) . . . . ?
B01G C00N B02S B02I -35.0(5) . . . . ?
B01G C00N B02S B03M 67.8(7) . . . . ?
B01G C00N B02S B03V 5.4(7) . . . . ?
B01G B026 B02V B02X -137.4(6) . . . . ?
B01G B026 B02V B03G -36.3(6) . . . . ?
B01G B026 B02V B03X -101.0(6) . . . . ?
B01G B026 B02X C01Y -95.5(6) . . . . ?
B01G B026 B02X B02V 38.0(5) . . . . ?
B01G B026 B02X B03M -61.6(7) . . . . ?
B01G B026 B02X B03X 1.7(8) . . . . ?
B01G B02I B02S C00N 31.4(4) . . . . ?
B01G B02I B02S C01Y -2.4(6) . . . . ?
B01G B02I B02S B03M -63.0(6) . . . . ?
B01G B02I B02S B03V -102.4(6) . . . . ?
B01G B02I B03G B02V 38.6(5) . . . . ?
B01G B02I B03G B03V 139.4(6) . . . . ?
B01G B02I B03G B03X 101.1(6) . . . . ?
B01G B02I B03V B02S 102.1(6) . . . . ?
B01G B02I B03V B03G -37.5(5) . . . . ?
B01G B02I B03V B03M 62.8(7) . . . . ?
B01G B02I B03V B03X 0.8(8) . . . . ?
B01G B02V B02X C01Y 3.1(7) . . . . ?
B01G B02V B02X B026 -38.2(5) . . . . ?
B01G B02V B02X B03M 65.2(6) . . . . ?
B01G B02V B02X B03X 101.7(6) . . . . ?
B01G B02V B03G B02I -38.6(5) . . . . ?
B01G B02V B03G B03V -101.5(6) . . . . ?
B01G B02V B03G B03X -138.4(6) . . . . ?
B01G B02V B03X B02X -101.0(6) . . . . ?
B01G B02V B03X B03G 37.8(6) . . . . ?
B01G B02V B03X B03M -63.7(8) . . . . ?
B01G B02V B03X B03V 0.3(8) . . . . ?
B01G B03G B03V B02I 36.4(5) . . . . ?
B01G B03G B03V B02S 0.1(7) . . . . ?
B01G B03G B03V B03M -64.0(6) . . . . ?
B01G B03G B03V B03X -100.2(6) . . . . ?
B01G B03G B03X B02V -37.1(5) . . . . ?
B01G B03G B03X B02X -0.3(8) . . . . ?
B01G B03G B03X B03M 64.3(7) . . . . ?
B01G B03G B03X B03V 101.3(6) . . . . ?
C01H C00M B02C B02A -64.7(6) . . . . ?
C01H C00M B02C B02D -104.7(5) . . . . ?
C01H C00M B02C B02O 38.5(5) . . . . ?
C01H C00M B02C B032 -1.7(7) . . . . ?
C01H C00M B02D B02A 64.3(6) . . . . ?
C01H C00M B02D B02C 104.1(5) . . . . ?
C01H C00M B02D B02Q 1.7(7) . . . . ?
C01H C00M B02D B034 -38.6(5) . . . . ?
C01H C00M B02O B02C -138.7(5) . . . . ?
C01H C00M B02O B032 -98.8(6) . . . . ?
C01H C00M B02O B03A -36.9(4) . . . . ?
C01H C00M B034 B02D 139.0(5) . . . . ?
C01H C00M B034 B02Q 98.7(5) . . . . ?
C01H C00M B034 B03F 35.9(4) . . . . ?
C01H B02O B032 B02A -60.4(7) . . . . ?
C01H B02O B032 B02C -97.7(5) . . . . ?
C01H B02O B032 B02N 2.6(7) . . . . ?
C01H B02O B032 B03A 39.2(5) . . . . ?
C01H B02O B03A B02N -96.9(6) . . . . ?
C01H B02O B03A B032 -134.2(6) . . . . ?
C01H B02O B03A B03F -32.3(5) . . . . ?
C01H B034 B03F B02N 96.2(6) . . . . ?
C01H B034 B03F B02Q 134.3(6) . . . . ?
C01H B034 B03F B03A 33.5(5) . . . . ?
C01H B03A B03F B02N -133.6(6) . . . . ?
C01H B03A B03F B02Q -97.0(6) . . . . ?
C01H B03A B03F B034 -33.7(5) . . . . ?
C01I C01A C01B Ir04 -58.0(5) . . . . ?
C01I C01A C01B C01T 0.4(8) . . . . ?
C01I C01A C01B C02H 177.7(7) . . . . ?
C01I C01J C01T Ir04 63.0(5) . . . . ?
C01I C01J C01T C01B -2.4(8) . . . . ?
C01I C01J C01T C03K -174.7(7) . . . . ?
C01K C01C C020 Ir03 -64.0(4) . . . . ?
C01K C01C C020 C025 -2.5(7) . . . . ?
C01K C01C C020 C03R 176.9(7) . . . . ?
C01K C024 C025 Ir03 64.1(5) . . . . ?
C01K C024 C025 C020 2.1(8) . . . . ?
C01K C024 C025 C02Y -175.3(7) . . . . ?
C01L C029 B03L B03P 39.6(7) . . . . ?
C01L C029 B03L B043 1.3(10) . . . . ?
C01L C029 B03L B04C -103.9(7) . . . . ?
C01L C029 B03L B04D -62.5(9) . . . . ?
C01L C029 B03P B03L -138.6(7) . . . . ?
C01L C029 B03P B041 -36.2(5) . . . . ?
C01L C029 B03P B043 -100.1(8) . . . . ?
C01L C029 B047 B045 36.9(5) . . . . ?
C01L C029 B047 B04C 139.5(7) . . . . ?
C01L C029 B047 B04J 98.3(8) . . . . ?
C01L C029 B04C B03L 105.5(7) . . . . ?
C01L C029 B04C B047 -38.1(7) . . . . ?
C01L C029 B04C B04D 63.6(9) . . . . ?
C01L C029 B04C B04J 3.1(11) . . . . ?
C01L B03P B041 B043 -134.2(8) . . . . ?
C01L B03P B041 B045 -33.4(6) . . . . ?
C01L B03P B041 B04G -97.0(10) . . . . ?
C01L B03P B043 B03L -95.9(8) . . . . ?
C01L B03P B043 B041 39.7(7) . . . . ?
C01L B03P B043 B04D -57.6(9) . . . . ?
C01L B03P B043 B04G 3.3(9) . . . . ?
C01L B041 B043 B03L 0.0(11) . . . . ?
C01L B041 B043 B03P -39.7(7) . . . . ?
C01L B041 B043 B04D 61.6(9) . . . . ?
C01L B041 B043 B04G 98.6(10) . . . . ?
C01L B041 B045 B047 -32.9(6) . . . . ?
C01L B041 B045 B04G -133.4(7) . . . . ?
C01L B041 B045 B04J -96.0(8) . . . . ?
C01L B041 B04G B043 -98.6(8) . . . . ?
C01L B041 B04G B045 39.8(7) . . . . ?
C01L B041 B04G B04D -58.8(13) . . . . ?
C01L B041 B04G B04J 3.1(11) . . . . ?
C01L B045 B047 C029 -36.7(5) . . . . ?
C01L B045 B047 B04C -96.7(7) . . . . ?
C01L B045 B047 B04J -135.5(9) . . . . ?
C01L B045 B04G B041 -40.8(7) . . . . ?
C01L B045 B04G B043 -2.8(11) . . . . ?
C01L B045 B04G B04D 62.4(11) . . . . ?
C01L B045 B04G B04J 98.3(9) . . . . ?
C01L B045 B04J B047 38.1(8) . . . . ?
C01L B045 B04J B04C -0.4(13) . . . . ?
C01L B045 B04J B04D -63.5(12) . . . . ?
C01L B045 B04J B04G -100.0(10) . . . . ?
C01L B047 B04C C029 34.3(6) . . . . ?
C01L B047 B04C B03L 2.0(10) . . . . ?
C01L B047 B04C B04D -62.4(9) . . . . ?
C01L B047 B04C B04J -98.3(9) . . . . ?
C01L B047 B04J B045 -37.6(7) . . . . ?
C01L B047 B04J B04C 99.0(8) . . . . ?
C01L B047 B04J B04D 62.2(11) . . . . ?
C01L B047 B04J B04G -0.7(11) . . . . ?
C01M C00Q C010 Ir03 107.0(5) . . . . ?
C01M C00Q C010 C01R -1.6(9) . . . . ?
C01M C016 C01Q C01R 3.2(10) . . . . ?
C01N N00E C00Q C010 28.3(8) . . . . ?
C01N N00E C00Q C01M -158.2(6) . . . . ?
C01N C01H B02O C00M 107.5(5) . . . . ?
C01N C01H B02O B02C 142.7(5) . . . . ?
C01N C01H B02O B032 -155.7(5) . . . . ?
C01N C01H B02O B03A -115.7(6) . . . . ?
C01N C01H B034 C00M -107.6(5) . . . . ?
C01N C01H B034 B02D -142.7(5) . . . . ?
C01N C01H B034 B02Q 154.6(5) . . . . ?
C01N C01H B034 B03F 114.4(6) . . . . ?
C01N C01H B03A B02N -152.7(6) . . . . ?
C01N C01H B03A B02O 104.5(6) . . . . ?
C01N C01H B03A B032 144.5(6) . . . . ?
C01N C01H B03A B03F -111.8(6) . . . . ?
C01N C01H B03F B02N 153.7(6) . . . . ?
C01N C01H B03F B02Q -143.8(6) . . . . ?
C01N C01H B03F B034 -104.0(6) . . . . ?
C01N C01H B03F B03A 113.7(6) . . . . ?
C01P N00H C013 C00O 30.6(9) . . . . ?
C01P N00H C013 C01S -157.2(6) . . . . ?
C01P C028 C02Z B049 -108.0(8) . . . . ?
C01P C028 C02Z B04E 105.6(7) . . . . ?
C01P C028 C02Z B04F -146.7(7) . . . . ?
C01P C028 C02Z B04I 144.7(7) . . . . ?
C01P C028 B046 B049 107.5(8) . . . . ?
C01P C028 B046 B04A -112.8(8) . . . . ?
C01P C028 B046 B04B 147.0(8) . . . . ?
C01P C028 B046 B04K -152.9(7) . . . . ?
C01P C028 B049 C02Z 106.4(7) . . . . ?
C01P C028 B049 B046 -116.2(8) . . . . ?
C01P C028 B049 B04B -155.5(7) . . . . ?
C01P C028 B049 B04F 141.4(7) . . . . ?
C01P C028 B04A B046 113.6(8) . . . . ?
C01P C028 B04A B04E -103.4(8) . . . . ?
C01P C028 B04A B04K 155.1(8) . . . . ?
C01P C028 B04A B04L -142.7(8) . . . . ?
C01P C028 B04E C02Z -107.2(7) . . . . ?
C01P C028 B04E B04A 115.2(7) . . . . ?
C01P C028 B04E B04I -143.0(7) . . . . ?
C01P C028 B04E B04L 155.2(7) . . . . ?
C01Q C016 C01M C00Q -1.2(9) . . . . ?
C01R N00I C021 S00A -13.0(10) . . . . ?
C01R N00I C021 C01L 168.8(6) . . . . ?
C01U N00F C00V S008 -0.1(9) . . . . ?
C01U N00F C00V C00N 175.0(6) . . . . ?
C01V C00P C00U Ir01 -125.9(6) . . . . ?
C01V C00P C00U C00L 171.2(6) . . . . ?
C01V C00P C00U C02G -2.9(10) . . . . ?
C01V C00P C00Y Ir01 128.0(6) . . . . ?
C01V C00P C00Y C00K -170.0(6) . . . . ?
C01V C00P C00Y C01W 8.2(10) . . . . ?
C01X C00L C00U Ir01 121.2(7) . . . . ?
C01X C00L C00U C00P -176.7(6) . . . . ?
C01X C00L C00U C02G -2.3(10) . . . . ?
C01Y C00N C00V S008 113.2(5) . . . . ?
C01Y C00N C00V N00F -62.6(8) . . . . ?
C01Y C00N B01G Ir04 -131.6(5) . . . . ?
C01Y C00N B01G B026 -38.8(5) . . . . ?
C01Y C00N B01G B02I 105.7(5) . . . . ?
C01Y C00N B01G B02V 4.7(6) . . . . ?
C01Y C00N B01G B03G 65.6(6) . . . . ?
C01Y C00N B026 Ir02 -124.9(5) . . . . ?
C01Y C00N B026 B01G 140.3(5) . . . . ?
C01Y C00N B026 B02V 96.5(5) . . . . ?
C01Y C00N B026 B02X 36.4(5) . . . . ?
C01Y C00N B02I B01G -106.3(6) . . . . ?
C01Y C00N B02I B02S 39.1(5) . . . . ?
C01Y C00N B02I B03G -64.3(7) . . . . ?
C01Y C00N B02I B03V -0.7(7) . . . . ?
C01Y C00N B02S B02I -139.6(5) . . . . ?
C01Y C00N B02S B03M -36.8(5) . . . . ?
C01Y C00N B02S B03V -99.2(6) . . . . ?
C01Y B026 B02V B01G 99.4(5) . . . . ?
C01Y B026 B02V B02X -38.1(5) . . . . ?
C01Y B026 B02V B03G 63.1(7) . . . . ?
C01Y B026 B02V B03X -1.6(7) . . . . ?
C01Y B026 B02X B02V 133.5(6) . . . . ?
C01Y B026 B02X B03M 34.0(6) . . . . ?
C01Y B026 B02X B03X 97.3(6) . . . . ?
C01Y B02S B03M B02X -33.7(6) . . . . ?
C01Y B02S B03M B03V -134.6(6) . . . . ?
C01Y B02S B03M B03X -96.8(6) . . . . ?
C01Y B02S B03V B02I -97.2(6) . . . . ?
C01Y B02S B03V B03G -61.5(7) . . . . ?
C01Y B02S B03V B03M 38.9(5) . . . . ?
C01Y B02S B03V B03X 1.8(7) . . . . ?
C01Y B02X B03M B02S 34.6(6) . . . . ?
C01Y B02X B03M B03V 96.8(6) . . . . ?
C01Y B02X B03M B03X 134.9(6) . . . . ?
C01Y B02X B03X B02V 99.9(6) . . . . ?
C01Y B02X B03X B03G 63.1(8) . . . . ?
C01Y B02X B03X B03M -39.0(5) . . . . ?
C01Y B02X B03X B03V -1.0(8) . . . . ?
C01Y B03M B03V B02I -0.5(8) . . . . ?
C01Y B03M B03V B02S -39.8(5) . . . . ?
C01Y B03M B03V B03G 61.7(7) . . . . ?
C01Y B03M B03V B03X 98.2(6) . . . . ?
C01Y B03M B03X B02V 1.3(7) . . . . ?
C01Y B03M B03X B02X 38.2(5) . . . . ?
C01Y B03M B03X B03G -62.4(7) . . . . ?
C01Y B03M B03X B03V -99.6(6) . . . . ?
C020 C01C C01K Ir03 62.6(4) . . . . ?
C020 C01C C01K C024 3.9(7) . . . . ?
C020 C01C C01K C031 -170.2(6) . . . . ?
C021 N00I C01R C010 -32.7(9) . . . . ?
C021 N00I C01R C01Q 154.7(7) . . . . ?
C021 C01L C029 B03L -146.2(7) . . . . ?
C021 C01L C029 B03P -105.8(7) . . . . ?
C021 C01L C029 B047 106.9(8) . . . . ?
C021 C01L C029 B04C 145.5(7) . . . . ?
C021 C01L B03P C029 108.5(6) . . . . ?
C021 C01L B03P B03L 143.2(6) . . . . ?
C021 C01L B03P B041 -113.6(7) . . . . ?
C021 C01L B03P B043 -154.7(6) . . . . ?
C021 C01L B041 B03P 104.5(8) . . . . ?
C021 C01L B041 B043 143.8(8) . . . . ?
C021 C01L B041 B045 -113.2(8) . . . . ?
C021 C01L B041 B04G -153.9(8) . . . . ?
C021 C01L B045 B041 110.9(8) . . . . ?
C021 C01L B045 B047 -106.2(8) . . . . ?
C021 C01L B045 B04G 151.9(8) . . . . ?
C021 C01L B045 B04J -144.7(8) . . . . ?
C021 C01L B047 C029 -108.2(7) . . . . ?
C021 C01L B047 B045 115.8(7) . . . . ?
C021 C01L B047 B04C -142.9(7) . . . . ?
C021 C01L B047 B04J 154.5(7) . . . . ?
C022 C00S C00X Ir02 -121.2(6) . . . . ?
C022 C00S C00X C01Z 176.5(6) . . . . ?
C022 C00S C00X C02K 2.2(10) . . . . ?
C022 C00S C011 Ir02 123.6(6) . . . . ?
C022 C00S C011 C014 2.4(10) . . . . ?
C022 C00S C011 C019 -176.1(6) . . . . ?
C023 C019 C01Z Ir02 118.8(6) . . . . ?
C023 C019 C01Z C00X -178.3(6) . . . . ?
C023 C019 C01Z C02E -7.3(10) . . . . ?
B026 C00N C00V S008 43.1(6) . . . . ?
B026 C00N C00V N00F -132.6(6) . . . . ?
B026 C00N B01G Ir04 -92.8(5) . . . . ?
B026 C00N B01G B02I 144.5(5) . . . . ?
B026 C00N B01G B02V 43.6(4) . . . . ?
B026 C00N B01G B03G 104.5(5) . . . . ?
B026 C00N C01Y B02S -148.1(5) . . . . ?
B026 C00N C01Y B02X -41.3(5) . . . . ?
B026 C00N C01Y B03M -108.4(6) . . . . ?
B026 C00N B02I B01G -35.0(5) . . . . ?
B026 C00N B02I B02S 110.4(6) . . . . ?
B026 C00N B02I B03G 6.9(7) . . . . ?
B026 C00N B02I B03V 70.5(7) . . . . ?
B026 C00N B02S C01Y 32.7(6) . . . . ?
B026 C00N B02S B02I -106.9(6) . . . . ?
B026 C00N B02S B03M -4.1(8) . . . . ?
B026 C00N B02S B03V -66.5(7) . . . . ?
B026 B01G B02I C00N 31.8(4) . . . . ?
B026 B01G B02I B02S 0.3(6) . . . . ?
B026 B01G B02I B03G -100.9(6) . . . . ?
B026 B01G B02I B03V -63.3(7) . . . . ?
B026 B01G B02V B02X 38.8(5) . . . . ?
B026 B01G B02V B03G 140.3(6) . . . . ?
B026 B01G B02V B03X 102.5(7) . . . . ?
B026 B01G B03G B02I 100.7(6) . . . . ?
B026 B01G B03G B02V -35.6(6) . . . . ?
B026 B01G B03G B03V 64.4(7) . . . . ?
B026 B01G B03G B03X 1.4(8) . . . . ?
B026 C01Y B02S C00N -30.2(5) . . . . ?
B026 C01Y B02S B02I 3.9(7) . . . . ?
B026 C01Y B02S B03M 106.5(6) . . . . ?
B026 C01Y B02S B03V 66.5(6) . . . . ?
B026 C01Y B02X B02V -40.6(5) . . . . ?
B026 C01Y B02X B03M -142.4(6) . . . . ?
B026 C01Y B02X B03X -103.3(6) . . . . ?
B026 C01Y B03M B02S -104.7(6) . . . . ?
B026 C01Y B03M B02X 36.7(6) . . . . ?
B026 C01Y B03M B03V -65.5(7) . . . . ?
B026 C01Y B03M B03X -2.5(8) . . . . ?
B026 B02V B02X C01Y 41.3(5) . . . . ?
B026 B02V B02X B03M 103.4(6) . . . . ?
B026 B02V B02X B03X 139.8(6) . . . . ?
B026 B02V B03G B01G 36.0(5) . . . . ?
B026 B02V B03G B02I -2.7(8) . . . . ?
B026 B02V B03G B03V -65.5(7) . . . . ?
B026 B02V B03G B03X -102.4(7) . . . . ?
B026 B02V B03X B02X -37.1(5) . . . . ?
B026 B02V B03X B03G 101.8(6) . . . . ?
B026 B02V B03X B03M 0.3(8) . . . . ?
B026 B02V B03X B03V 64.2(8) . . . . ?
B026 B02X B03M C01Y -34.7(6) . . . . ?
B026 B02X B03M B02S -0.1(8) . . . . ?
B026 B02X B03M B03V 62.2(7) . . . . ?
B026 B02X B03M B03X 100.2(6) . . . . ?
B026 B02X B03X B02V 35.9(5) . . . . ?
B026 B02X B03X B03G -0.9(8) . . . . ?
B026 B02X B03X B03M -103.0(6) . . . . ?
B026 B02X B03X B03V -65.0(8) . . . . ?
C027 C015 C01D Ir05 -121.0(8) . . . . ?
C027 C015 C01D C01O 178.9(7) . . . . ?
C027 C015 C01D C02M 1.3(12) . . . . ?
C028 C02Z B049 B046 -35.8(6) . . . . ?
C028 C02Z B049 B04B -96.6(7) . . . . ?
C028 C02Z B049 B04F -139.4(7) . . . . ?
C028 C02Z B04E B04A 36.4(6) . . . . ?
C028 C02Z B04E B04I 139.3(7) . . . . ?
C028 C02Z B04E B04L 100.0(9) . . . . ?
C028 C02Z B04F B049 38.6(7) . . . . ?
C028 C02Z B04F B04B -4.0(10) . . . . ?
C028 C02Z B04F B04I -105.0(8) . . . . ?
C028 C02Z B04F B04N -65.2(10) . . . . ?
C028 C02Z B04I B04E -38.9(7) . . . . ?
C028 C02Z B04I B04F 104.5(7) . . . . ?
C028 C02Z B04I B04L 0.5(10) . . . . ?
C028 C02Z B04I B04N 63.3(9) . . . . ?
C028 B046 B049 C02Z 35.9(6) . . . . ?
C028 B046 B049 B04B 134.0(9) . . . . ?
C028 B046 B049 B04F 96.4(8) . . . . ?
C028 B046 B04A B04E -33.8(6) . . . . ?
C028 B046 B04A B04K -133.2(8) . . . . ?
C028 B046 B04A B04L -97.7(8) . . . . ?
C028 B046 B04B B049 -38.9(7) . . . . ?
C028 B046 B04B B04F -2.7(11) . . . . ?
C028 B046 B04B B04K 97.6(9) . . . . ?
C028 B046 B04B B04N 61.6(10) . . . . ?
C028 B046 B04K B04A 39.7(7) . . . . ?
C028 B046 B04K B04B -97.8(8) . . . . ?
C028 B046 B04K B04L 3.4(10) . . . . ?
C028 B046 B04K B04N -61.3(10) . . . . ?
C028 B049 B04B B046 38.4(7) . . . . ?
C028 B049 B04B B04F -100.3(8) . . . . ?
C028 B049 B04B B04K -0.9(12) . . . . ?
C028 B049 B04B B04N -64.9(10) . . . . ?
C028 B049 B04F C02Z -34.6(6) . . . . ?
C028 B049 B04F B04B 96.5(8) . . . . ?
C028 B049 B04F B04I -1.5(10) . . . . ?
C028 B049 B04F B04N 61.5(9) . . . . ?
C028 B04A B04E C02Z -36.0(5) . . . . ?
C028 B04A B04E B04I -98.1(8) . . . . ?
C028 B04A B04E B04L -135.3(8) . . . . ?
C028 B04A B04K B046 -40.8(7) . . . . ?
C028 B04A B04K B04B -2.2(12) . . . . ?
C028 B04A B04K B04L 99.9(9) . . . . ?
C028 B04A B04K B04N 62.6(11) . . . . ?
C028 B04A B04L B04E 39.5(7) . . . . ?
C028 B04A B04L B04I 1.5(11) . . . . ?
C028 B04A B04L B04K -99.0(8) . . . . ?
C028 B04A B04L B04N -62.1(10) . . . . ?
C028 B04E B04I C02Z 35.0(6) . . . . ?
C028 B04E B04I B04F 3.3(10) . . . . ?
C028 B04E B04I B04L -99.6(9) . . . . ?
C028 B04E B04I B04N -61.6(9) . . . . ?
C028 B04E B04L B04A -38.7(7) . . . . ?
C028 B04E B04L B04I 99.4(8) . . . . ?
C028 B04E B04L B04K -2.2(10) . . . . ?
C028 B04E B04L B04N 61.4(11) . . . . ?
C029 C01L C021 S00A -163.5(5) . . . . ?
C029 C01L C021 N00I 15.0(10) . . . . ?
C029 C01L B03P B03L 34.7(6) . . . . ?
C029 C01L B03P B041 137.9(7) . . . . ?
C029 C01L B03P B043 96.8(7) . . . . ?
C029 C01L B041 B03P -38.6(6) . . . . ?
C029 C01L B041 B043 0.8(10) . . . . ?
C029 C01L B041 B045 103.7(7) . . . . ?
C029 C01L B041 B04G 63.0(9) . . . . ?
C029 C01L B045 B041 -102.1(7) . . . . ?
C029 C01L B045 B047 40.8(7) . . . . ?
C029 C01L B045 B04G -61.1(10) . . . . ?
C029 C01L B045 B04J 2.3(11) . . . . ?
C029 C01L B047 B045 -135.9(7) . . . . ?
C029 C01L B047 B04C -34.7(6) . . . . ?
C029 C01L B047 B04J -97.3(8) . . . . ?
C029 B03L B03P C01L -34.6(5) . . . . ?
C029 B03L B03P B041 -95.5(8) . . . . ?
C029 B03L B03P B043 -135.9(9) . . . . ?
C029 B03L B043 B03P 38.2(7) . . . . ?
C029 B03L B043 B041 -0.8(11) . . . . ?
C029 B03L B043 B04D -98.0(8) . . . . ?
C029 B03L B043 B04G -62.0(9) . . . . ?
C029 B03L B04C B047 32.6(7) . . . . ?
C029 B03L B04C B04D 132.2(7) . . . . ?
C029 B03L B04C B04J 96.0(7) . . . . ?
C029 B03L B04D B043 100.0(7) . . . . ?
C029 B03L B04D B04C -41.0(6) . . . . ?
C029 B03L B04D B04G 62.7(11) . . . . ?
C029 B03L B04D B04J -3.2(11) . . . . ?
C029 B03P B041 C01L 35.3(5) . . . . ?
C029 B03P B041 B043 -98.9(8) . . . . ?
C029 B03P B041 B045 1.9(8) . . . . ?
C029 B03P B041 B04G -61.7(10) . . . . ?
C029 B03P B043 B03L -37.0(7) . . . . ?
C029 B03P B043 B041 98.6(8) . . . . ?
C029 B03P B043 B04D 1.3(10) . . . . ?
C029 B03P B043 B04G 62.2(9) . . . . ?
C029 B047 B04C B03L -32.3(7) . . . . ?
C029 B047 B04C B04D -96.7(9) . . . . ?
C029 B047 B04C B04J -132.5(9) . . . . ?
C029 B047 B04J B045 -96.6(8) . . . . ?
C029 B047 B04J B04C 40.0(7) . . . . ?
C029 B047 B04J B04D 3.2(11) . . . . ?
C029 B047 B04J B04G -59.7(10) . . . . ?
C029 B04C B04D B03L 40.6(6) . . . . ?
C029 B04C B04D B043 5.8(11) . . . . ?
C029 B04C B04D B04G -58.3(11) . . . . ?
C029 B04C B04D B04J -98.1(8) . . . . ?
C029 B04C B04J B045 -1.5(13) . . . . ?
C029 B04C B04J B047 -40.7(8) . . . . ?
C029 B04C B04J B04D 98.1(9) . . . . ?
C029 B04C B04J B04G 60.4(10) . . . . ?
B02A B02C B02D C00M -134.0(6) . . . . ?
B02A B02C B02D B02Q -37.2(5) . . . . ?
B02A B02C B02D B034 -100.8(6) . . . . ?
B02A B02C B02O C00M 96.0(6) . . . . ?
B02A B02C B02O C01H 61.2(6) . . . . ?
B02A B02C B02O B032 -37.8(6) . . . . ?
B02A B02C B02O B03A 0.5(7) . . . . ?
B02A B02C B032 B02N 37.3(5) . . . . ?
B02A B02C B032 B02O 138.2(6) . . . . ?
B02A B02C B032 B03A 99.8(7) . . . . ?
B02A B02D B02Q B02N -37.7(5) . . . . ?
B02A B02D B02Q B034 -137.9(6) . . . . ?
B02A B02D B02Q B03F -100.1(6) . . . . ?
B02A B02D B034 C00M -96.0(6) . . . . ?
B02A B02D B034 C01H -61.5(6) . . . . ?
B02A B02D B034 B02Q 37.9(5) . . . . ?
B02A B02D B034 B03F -0.8(7) . . . . ?
B02A B02N B02Q B02D 37.9(5) . . . . ?
B02A B02N B02Q B034 100.3(6) . . . . ?
B02A B02N B02Q B03F 137.9(6) . . . . ?
B02A B02N B032 B02C -37.3(5) . . . . ?
B02A B02N B032 B02O -101.2(6) . . . . ?
B02A B02N B032 B03A -138.1(6) . . . . ?
B02A B02N B03A C01H -60.9(7) . . . . ?
B02A B02N B03A B02O 0.8(8) . . . . ?
B02A B02N B03A B032 37.9(6) . . . . ?
B02A B02N B03A B03F -100.8(6) . . . . ?
B02A B02N B03F C01H 61.8(7) . . . . ?
B02A B02N B03F B02Q -37.8(5) . . . . ?
B02A B02N B03F B034 0.0(8) . . . . ?
B02A B02N B03F B03A 101.5(6) . . . . ?
B02A B02Q B034 C00M 1.8(7) . . . . ?
B02A B02Q B034 C01H 60.8(7) . . . . ?
B02A B02Q B034 B02D -37.3(5) . . . . ?
B02A B02Q B034 B03F 99.8(6) . . . . ?
B02A B02Q B03F C01H -60.8(6) . . . . ?
B02A B02Q B03F B02N 37.0(5) . . . . ?
B02A B02Q B03F B034 -100.4(6) . . . . ?
B02A B02Q B03F B03A 0.8(7) . . . . ?
B02A B032 B03A C01H 62.1(7) . . . . ?
B02A B032 B03A B02N -37.1(5) . . . . ?
B02A B032 B03A B02O 101.6(6) . . . . ?
B02A B032 B03A B03F 0.5(7) . . . . ?
C02B C01I C01J Ir04 -118.4(7) . . . . ?
C02B C01I C01J C01T 178.8(7) . . . . ?
C02B C01I C01J C03D 4.4(11) . . . . ?
B02C C00M C01H C01N -146.2(5) . . . . ?
B02C C00M C01H B02O -39.4(5) . . . . ?
B02C C00M C01H B034 108.2(6) . . . . ?
B02C C00M C01H B03A 1.3(7) . . . . ?
B02C C00M C01H B03F 68.7(6) . . . . ?
B02C C00M B02D B02A -39.8(5) . . . . ?
B02C C00M B02D B02Q -102.5(6) . . . . ?
B02C C00M B02D B034 -142.8(6) . . . . ?
B02C C00M B02O C01H 138.7(5) . . . . ?
B02C C00M B02O B032 39.9(5) . . . . ?
B02C C00M B02O B03A 101.8(6) . . . . ?
B02C C00M B034 C01H -102.1(6) . . . . ?
B02C C00M B034 B02D 36.9(6) . . . . ?
B02C C00M B034 B02Q -3.4(7) . . . . ?
B02C C00M B034 B03F -66.3(6) . . . . ?
B02C B02A B02D C00M 39.2(5) . . . . ?
B02C B02A B02D B02Q 138.7(6) . . . . ?
B02C B02A B02D B034 101.0(6) . . . . ?
B02C B02A B02N B02Q -101.8(6) . . . . ?
B02C B02A B02N B032 37.3(5) . . . . ?
B02C B02A B02N B03A -0.5(8) . . . . ?
B02C B02A B02N B03F -64.0(7) . . . . ?
B02C B02A B02Q B02D -37.1(5) . . . . ?
B02C B02A B02Q B02N 99.8(6) . . . . ?
B02C B02A B02Q B034 0.1(8) . . . . ?
B02C B02A B02Q B03F 62.7(7) . . . . ?
B02C B02A B032 B02N -137.9(6) . . . . ?
B02C B02A B032 B02O -37.7(5) . . . . ?
B02C B02A B032 B03A -101.0(6) . . . . ?
B02C B02D B02Q B02A 36.8(5) . . . . ?
B02C B02D B02Q B02N -0.9(7) . . . . ?
B02C B02D B02Q B034 -101.0(6) . . . . ?
B02C B02D B02Q B03F -63.3(7) . . . . ?
B02C B02D B034 C00M -32.9(5) . . . . ?
B02C B02D B034 C01H 1.6(7) . . . . ?
B02C B02D B034 B02Q 101.0(6) . . . . ?
B02C B02D B034 B03F 62.4(6) . . . . ?
B02C B02O B032 B02A 37.2(5) . . . . ?
B02C B02O B032 B02N 100.3(6) . . . . ?
B02C B02O B032 B03A 136.9(6) . . . . ?
B02C B02O B03A C01H 96.1(5) . . . . ?
B02C B02O B03A B02N -0.8(7) . . . . ?
B02C B02O B03A B032 -38.1(5) . . . . ?
B02C B02O B03A B03F 63.8(6) . . . . ?
B02C B032 B03A C01H -0.7(8) . . . . ?
B02C B032 B03A B02N -99.9(6) . . . . ?
B02C B032 B03A B02O 38.7(5) . . . . ?
B02C B032 B03A B03F -62.3(7) . . . . ?
B02D C00M C01H C01N 144.6(5) . . . . ?
B02D C00M C01H B02O -108.6(6) . . . . ?
B02D C00M C01H B034 38.9(5) . . . . ?
B02D C00M C01H B03A -67.9(6) . . . . ?
B02D C00M C01H B03F -0.5(7) . . . . ?
B02D C00M B02C B02A 40.1(5) . . . . ?
B02D C00M B02C B02O 143.2(6) . . . . ?
B02D C00M B02C B032 103.1(6) . . . . ?
B02D C00M B02O C01H 102.0(6) . . . . ?
B02D C00M B02O B02C -36.7(5) . . . . ?
B02D C00M B02O B032 3.2(7) . . . . ?
B02D C00M B02O B03A 65.1(6) . . . . ?
B02D C00M B034 C01H -139.0(5) . . . . ?
B02D C00M B034 B02Q -40.3(5) . . . . ?
B02D C00M B034 B03F -103.2(6) . . . . ?
B02D B02A B02C C00M -39.0(5) . . . . ?
B02D B02A B02C B02O -100.7(6) . . . . ?
B02D B02A B02C B032 -138.1(6) . . . . ?
B02D B02A B02N B02Q -38.3(5) . . . . ?
B02D B02A B02N B032 100.8(6) . . . . ?
B02D B02A B02N B03A 63.0(7) . . . . ?
B02D B02A B02N B03F -0.5(8) . . . . ?
B02D B02A B02Q B02N 137.0(6) . . . . ?
B02D B02A B02Q B034 37.3(5) . . . . ?
B02D B02A B02Q B03F 99.9(6) . . . . ?
B02D B02A B032 B02C 37.6(5) . . . . ?
B02D B02A B032 B02N -100.3(6) . . . . ?
B02D B02A B032 B02O -0.1(8) . . . . ?
B02D B02A B032 B03A -63.4(7) . . . . ?
B02D B02C B02O C00M 32.3(5) . . . . ?
B02D B02C B02O C01H -2.4(7) . . . . ?
B02D B02C B02O B032 -101.5(6) . . . . ?
B02D B02C B02O B03A -63.2(6) . . . . ?
B02D B02C B032 B02A -37.7(5) . . . . ?
B02D B02C B032 B02N -0.4(7) . . . . ?
B02D B02C B032 B02O 100.5(6) . . . . ?
B02D B02C B032 B03A 62.1(7) . . . . ?
B02D B02Q B034 C00M 39.2(5) . . . . ?
B02D B02Q B034 C01H 98.1(5) . . . . ?
B02D B02Q B034 B03F 137.1(6) . . . . ?
B02D B02Q B03F C01H 1.8(7) . . . . ?
B02D B02Q B03F B02N 99.6(6) . . . . ?
B02D B02Q B03F B034 -37.8(5) . . . . ?
B02D B02Q B03F B03A 63.4(7) . . . . ?
B02D B034 B03F C01H -95.7(5) . . . . ?
B02D B034 B03F B02N 0.5(7) . . . . ?
B02D B034 B03F B02Q 38.6(5) . . . . ?
B02D B034 B03F B03A -62.3(7) . . . . ?
B02F C012 C018 S007 25.4(6) . . . . ?
B02F C012 C018 N00D -157.3(6) . . . . ?
B02F C012 C02P B02R -38.4(5) . . . . ?
B02F C012 C02P B03E 2.9(7) . . . . ?
B02F C012 C02P B03J 109.5(6) . . . . ?
B02F C012 C02P B03U 70.3(7) . . . . ?
B02F C012 B02R Ir01 -94.3(5) . . . . ?
B02F C012 B02R C02P 140.6(5) . . . . ?
B02F C012 B02R B030 43.0(5) . . . . ?
B02F C012 B02R B03E 103.6(5) . . . . ?
B02F C012 B02W B03C -41.4(5) . . . . ?
B02F C012 B02W B03H -105.1(6) . . . . ?
B02F C012 B02W B03J -144.7(5) . . . . ?
B02F C012 B03J C02P -104.5(6) . . . . ?
B02F C012 B03J B02W 35.8(5) . . . . ?
B02F C012 B03J B03H -4.4(7) . . . . ?
B02F C012 B03J B03U -67.0(7) . . . . ?
B02F B02R B030 B03C 36.9(5) . . . . ?
B02F B02R B030 B03E 137.6(6) . . . . ?
B02F B02R B030 B03T 101.6(6) . . . . ?
B02F B02R B03E C02P 96.1(6) . . . . ?
B02F B02R B03E B030 -37.5(5) . . . . ?
B02F B02R B03E B03T -1.0(7) . . . . ?
B02F B02R B03E B03U 62.0(7) . . . . ?
B02F B02W B03C B030 -39.1(5) . . . . ?
B02F B02W B03C B03H -139.5(6) . . . . ?
B02F B02W B03C B03T -101.0(6) . . . . ?
B02F B02W B03H B03C 37.0(5) . . . . ?
B02F B02W B03H B03J -102.2(6) . . . . ?
B02F B02W B03H B03T -1.8(8) . . . . ?
B02F B02W B03H B03U -63.7(8) . . . . ?
B02F B02W B03J C012 -31.9(4) . . . . ?
B02F B02W B03J C02P 1.5(6) . . . . ?
B02F B02W B03J B03H 102.0(6) . . . . ?
B02F B02W B03J B03U 62.9(6) . . . . ?
B02F B030 B03C B02W 39.7(5) . . . . ?
B02F B030 B03C B03H 102.7(6) . . . . ?
B02F B030 B03C B03T 139.0(6) . . . . ?
B02F B030 B03E C02P -2.8(7) . . . . ?
B02F B030 B03E B02R 38.5(5) . . . . ?
B02F B030 B03E B03T -101.3(6) . . . . ?
B02F B030 B03E B03U -64.6(6) . . . . ?
B02F B030 B03T B03C -36.9(5) . . . . ?
B02F B030 B03T B03E 101.3(6) . . . . ?
B02F B030 B03T B03H -0.3(8) . . . . ?
B02F B030 B03T B03U 63.1(8) . . . . ?
B02F B03C B03H B02W -37.0(5) . . . . ?
B02F B03C B03H B03J -0.2(7) . . . . ?
B02F B03C B03H B03T 99.3(6) . . . . ?
B02F B03C B03H B03U 62.9(6) . . . . ?
B02F B03C B03T B030 36.4(5) . . . . ?
B02F B03C B03T B03E -0.9(8) . . . . ?
B02F B03C B03T B03H -102.7(6) . . . . ?
B02F B03C B03T B03U -66.0(7) . . . . ?
C02H C01B C01T Ir04 121.1(7) . . . . ?
C02H C01B C01T C01J -176.1(7) . . . . ?
C02H C01B C01T C03K -3.9(12) . . . . ?
B02I C00N C00V S008 -98.9(6) . . . . ?
B02I C00N C00V N00F 85.4(8) . . . . ?
B02I C00N B01G Ir04 122.7(5) . . . . ?
B02I C00N B01G B026 -144.5(5) . . . . ?
B02I C00N B01G B02V -101.0(5) . . . . ?
B02I C00N B01G B03G -40.1(5) . . . . ?
B02I C00N C01Y B026 108.8(6) . . . . ?
B02I C00N C01Y B02S -39.3(5) . . . . ?
B02I C00N C01Y B02X 67.5(7) . . . . ?
B02I C00N C01Y B03M 0.4(8) . . . . ?
B02I C00N B026 Ir02 130.3(5) . . . . ?
B02I C00N B026 B01G 35.5(5) . . . . ?
B02I C00N B026 C01Y -104.8(6) . . . . ?
B02I C00N B026 B02V -8.3(7) . . . . ?
B02I C00N B026 B02X -68.5(7) . . . . ?
B02I C00N B02S C01Y 139.6(5) . . . . ?
B02I C00N B02S B03M 102.8(6) . . . . ?
B02I C00N B02S B03V 40.4(5) . . . . ?
B02I B01G B026 Ir02 -137.8(4) . . . . ?
B02I B01G B026 C00N -30.9(4) . . . . ?
B02I B01G B026 C01Y 2.0(6) . . . . ?
B02I B01G B026 B02V 97.8(5) . . . . ?
B02I B01G B026 B02X 60.5(6) . . . . ?
B02I B01G B02V B026 -102.3(6) . . . . ?
B02I B01G B02V B02X -63.5(6) . . . . ?
B02I B01G B02V B03G 37.9(6) . . . . ?
B02I B01G B02V B03X 0.2(8) . . . . ?
B02I B01G B03G B02V -136.3(6) . . . . ?
B02I B01G B03G B03V -36.3(5) . . . . ?
B02I B01G B03G B03X -99.4(7) . . . . ?
B02I B02S B03M C01Y 95.2(6) . . . . ?
B02I B02S B03M B02X 61.6(7) . . . . ?
B02I B02S B03M B03V -39.3(5) . . . . ?
B02I B02S B03M B03X -1.6(7) . . . . ?
B02I B02S B03V B03G 35.7(5) . . . . ?
B02I B02S B03V B03M 136.1(6) . . . . ?
B02I B02S B03V B03X 99.0(6) . . . . ?
B02I B03G B03V B02S -36.3(5) . . . . ?
B02I B03G B03V B03M -100.4(6) . . . . ?
B02I B03G B03V B03X -136.5(6) . . . . ?
B02I B03G B03X B02V -100.1(6) . . . . ?
B02I B03G B03X B02X -63.3(7) . . . . ?
B02I B03G B03X B03M 1.3(7) . . . . ?
B02I B03G B03X B03V 38.3(5) . . . . ?
B02I B03V B03X B02V -0.6(8) . . . . ?
B02I B03V B03X B02X 62.9(8) . . . . ?
B02I B03V B03X B03G -37.9(5) . . . . ?
B02I B03V B03X B03M 101.1(6) . . . . ?
C02J C024 C025 Ir03 -123.0(8) . . . . ?
C02J C024 C025 C020 175.1(7) . . . . ?
C02J C024 C025 C02Y -2.3(12) . . . . ?
C02K C00X C01Z Ir02 -123.0(6) . . . . ?
C02K C00X C01Z C019 172.4(6) . . . . ?
C02K C00X C01Z C02E 1.3(10) . . . . ?
C02L C01A C01B Ir04 124.7(7) . . . . ?
C02L C01A C01B C01T -176.8(7) . . . . ?
C02L C01A C01B C02H 0.4(12) . . . . ?
C02L C01A C01I Ir04 -122.5(7) . . . . ?
C02L C01A C01I C01J 175.5(6) . . . . ?
C02L C01A C01I C02B -0.7(11) . . . . ?
C02M C01D C01O Ir05 -124.1(7) . . . . ?
C02M C01D C01O C00W 176.7(7) . . . . ?
C02M C01D C01O C033 -0.8(13) . . . . ?
B02N B02A B02C C00M 61.7(7) . . . . ?
B02N B02A B02C B02D 100.8(6) . . . . ?
B02N B02A B02C B02O 0.0(7) . . . . ?
B02N B02A B02C B032 -37.3(5) . . . . ?
B02N B02A B02D C00M -61.1(7) . . . . ?
B02N B02A B02D B02C -100.2(6) . . . . ?
B02N B02A B02D B02Q 38.5(6) . . . . ?
B02N B02A B02D B034 0.8(7) . . . . ?
B02N B02A B02Q B02D -137.0(6) . . . . ?
B02N B02A B02Q B034 -99.7(6) . . . . ?
B02N B02A B02Q B03F -37.1(5) . . . . ?
B02N B02A B032 B02C 137.9(6) . . . . ?
B02N B02A B032 B02O 100.2(6) . . . . ?
B02N B02A B032 B03A 36.9(5) . . . . ?
B02N B02Q B034 C00M -60.4(7) . . . . ?
B02N B02Q B034 C01H -1.5(7) . . . . ?
B02N B02Q B034 B02D -99.6(6) . . . . ?
B02N B02Q B034 B03F 37.5(5) . . . . ?
B02N B02Q B03F C01H -97.8(6) . . . . ?
B02N B02Q B03F B034 -137.4(6) . . . . ?
B02N B02Q B03F B03A -36.2(5) . . . . ?
B02N B032 B03A C01H 99.2(6) . . . . ?
B02N B032 B03A B02O 138.7(6) . . . . ?
B02N B032 B03A B03F 37.6(5) . . . . ?
B02N B03A B03F C01H 133.6(6) . . . . ?
B02N B03A B03F B02Q 36.7(5) . . . . ?
B02N B03A B03F B034 99.9(6) . . . . ?
B02O C00M C01H C01N -106.8(6) . . . . ?
B02O C00M C01H B034 147.5(5) . . . . ?
B02O C00M C01H B03A 40.7(5) . . . . ?
B02O C00M C01H B03F 108.1(6) . . . . ?
B02O C00M B02C B02A -103.2(6) . . . . ?
B02O C00M B02C B02D -143.2(6) . . . . ?
B02O C00M B02C B032 -40.2(5) . . . . ?
B02O C00M B02D B02A -3.3(7) . . . . ?
B02O C00M B02D B02C 36.5(5) . . . . ?
B02O C00M B02D B02Q -66.0(7) . . . . ?
B02O C00M B02D B034 -106.3(6) . . . . ?
B02O C00M B034 C01H -31.3(5) . . . . ?
B02O C00M B034 B02D 107.7(6) . . . . ?
B02O C00M B034 B02Q 67.4(7) . . . . ?
B02O C00M B034 B03F 4.6(7) . . . . ?
B02O C01H C01N S009 92.2(5) . . . . ?
B02O C01H C01N N00E -85.1(7) . . . . ?
B02O C01H B034 C00M 31.6(5) . . . . ?
B02O C01H B034 B02D -3.4(7) . . . . ?
B02O C01H B034 B02Q -66.1(6) . . . . ?
B02O C01H B034 B03F -106.4(6) . . . . ?
B02O C01H B03A B02N 102.8(6) . . . . ?
B02O C01H B03A B032 40.0(5) . . . . ?
B02O C01H B03A B03F 143.7(6) . . . . ?
B02O C01H B03F B02N 4.4(7) . . . . ?
B02O C01H B03F B02Q 67.0(7) . . . . ?
B02O C01H B03F B034 106.8(6) . . . . ?
B02O C01H B03F B03A -35.5(5) . . . . ?
B02O B02C B02D C00M -32.7(5) . . . . ?
B02O B02C B02D B02A 101.3(6) . . . . ?
B02O B02C B02D B02Q 64.1(7) . . . . ?
B02O B02C B02D B034 0.5(7) . . . . ?
B02O B02C B032 B02A -138.2(6) . . . . ?
B02O B02C B032 B02N -100.9(6) . . . . ?
B02O B02C B032 B03A -38.4(5) . . . . ?
B02O B032 B03A C01H -39.4(5) . . . . ?
B02O B032 B03A B02N -138.7(6) . . . . ?
B02O B032 B03A B03F -101.1(6) . . . . ?
B02O B03A B03F C01H 32.3(5) . . . . ?
B02O B03A B03F B02N -101.3(6) . . . . ?
B02O B03A B03F B02Q -64.6(7) . . . . ?
B02O B03A B03F B034 -1.3(7) . . . . ?
C02P C012 C018 S007 -112.6(5) . . . . ?
C02P C012 C018 N00D 64.7(8) . . . . ?
C02P C012 B02F Ir05 130.4(5) . . . . ?
C02P C012 B02F B02R 38.3(5) . . . . ?
C02P C012 B02F B02W -105.7(6) . . . . ?
C02P C012 B02F B030 -4.4(6) . . . . ?
C02P C012 B02F B03C -66.2(6) . . . . ?
C02P C012 B02R Ir01 125.1(5) . . . . ?
C02P C012 B02R B02F -140.6(5) . . . . ?
C02P C012 B02R B030 -97.6(6) . . . . ?
C02P C012 B02R B03E -37.0(5) . . . . ?
C02P C012 B02W B02F 106.5(5) . . . . ?
C02P C012 B02W B03C 65.1(7) . . . . ?
C02P C012 B02W B03H 1.4(7) . . . . ?
C02P C012 B02W B03J -38.3(5) . . . . ?
C02P C012 B03J B02W 140.3(5) . . . . ?
C02P C012 B03J B03H 100.1(6) . . . . ?
C02P C012 B03J B03U 37.4(6) . . . . ?
C02P B02R B030 B02F -99.3(5) . . . . ?
C02P B02R B030 B03C -62.3(7) . . . . ?
C02P B02R B030 B03E 38.4(5) . . . . ?
C02P B02R B030 B03T 2.3(7) . . . . ?
C02P B02R B03E B030 -133.6(6) . . . . ?
C02P B02R B03E B03T -97.0(6) . . . . ?
C02P B02R B03E B03U -34.1(6) . . . . ?
C02P B03E B03T B030 -100.4(6) . . . . ?
C02P B03E B03T B03C -62.8(8) . . . . ?
C02P B03E B03T B03H 0.5(8) . . . . ?
C02P B03E B03T B03U 38.0(6) . . . . ?
C02P B03E B03U B03H -97.8(6) . . . . ?
C02P B03E B03U B03J -34.6(6) . . . . ?
C02P B03E B03U B03T -136.0(6) . . . . ?
C02P B03J B03U B03E 33.4(6) . . . . ?
C02P B03J B03U B03H 134.8(7) . . . . ?
C02P B03J B03U B03T 96.5(6) . . . . ?
B02Q B02A B02C C00M -2.1(7) . . . . ?
B02Q B02A B02C B02D 37.0(5) . . . . ?
B02Q B02A B02C B02O -63.8(7) . . . . ?
B02Q B02A B02C B032 -101.1(6) . . . . ?
B02Q B02A B02D C00M -99.6(6) . . . . ?
B02Q B02A B02D B02C -138.7(6) . . . . ?
B02Q B02A B02D B034 -37.7(5) . . . . ?
B02Q B02A B02N B032 139.0(6) . . . . ?
B02Q B02A B02N B03A 101.3(6) . . . . ?
B02Q B02A B02N B03F 37.8(5) . . . . ?
B02Q B02A B032 B02C 100.9(6) . . . . ?
B02Q B02A B032 B02N -37.0(5) . . . . ?
B02Q B02A B032 B02O 63.2(7) . . . . ?
B02Q B02A B032 B03A 0.0(7) . . . . ?
B02Q B02D B034 C00M -133.9(6) . . . . ?
B02Q B02D B034 C01H -99.4(6) . . . . ?
B02Q B02D B034 B03F -38.7(5) . . . . ?
B02Q B02N B032 B02A 37.1(5) . . . . ?
B02Q B02N B032 B02C -0.2(8) . . . . ?
B02Q B02N B032 B02O -64.1(7) . . . . ?
B02Q B02N B032 B03A -101.0(6) . . . . ?
B02Q B02N B03A C01H 3.2(8) . . . . ?
B02Q B02N B03A B02O 64.9(7) . . . . ?
B02Q B02N B03A B032 102.0(6) . . . . ?
B02Q B02N B03A B03F -36.7(6) . . . . ?
B02Q B02N B03F C01H 99.6(6) . . . . ?
B02Q B02N B03F B034 37.8(5) . . . . ?
B02Q B02N B03F B03A 139.3(6) . . . . ?
B02Q B034 B03F C01H -134.3(6) . . . . ?
B02Q B034 B03F B02N -38.1(5) . . . . ?
B02Q B034 B03F B03A -100.8(6) . . . . ?
B02R C012 C018 S007 -43.8(6) . . . . ?
B02R C012 C018 N00D 133.5(6) . . . . ?
B02R C012 B02F Ir05 92.1(4) . . . . ?
B02R C012 B02F B02W -144.0(5) . . . . ?
B02R C012 B02F B030 -42.7(4) . . . . ?
B02R C012 B02F B03C -104.5(5) . . . . ?
B02R C012 C02P B03E 41.3(5) . . . . ?
B02R C012 C02P B03J 147.9(5) . . . . ?
B02R C012 C02P B03U 108.7(6) . . . . ?
B02R C012 B02W B02F 36.0(5) . . . . ?
B02R C012 B02W B03C -5.4(8) . . . . ?
B02R C012 B02W B03H -69.1(7) . . . . ?
B02R C012 B02W B03J -108.8(6) . . . . ?
B02R C012 B03J C02P -32.2(6) . . . . ?
B02R C012 B03J B02W 108.0(6) . . . . ?
B02R C012 B03J B03H 67.9(7) . . . . ?
B02R C012 B03J B03U 5.2(8) . . . . ?
B02R B02F B02W C012 -31.8(4) . . . . ?
B02R B02F B02W B03C 101.1(5) . . . . ?
B02R B02F B02W B03H 63.7(7) . . . . ?
B02R B02F B02W B03J 0.3(6) . . . . ?
B02R B02F B030 B03C -138.9(6) . . . . ?
B02R B02F B030 B03E -38.3(5) . . . . ?
B02R B02F B030 B03T -101.6(7) . . . . ?
B02R B02F B03C B02W -99.4(6) . . . . ?
B02R B02F B03C B030 36.5(5) . . . . ?
B02R B02F B03C B03H -62.9(6) . . . . ?
B02R B02F B03C B03T 0.4(7) . . . . ?
B02R C02P B03E B030 40.8(5) . . . . ?
B02R C02P B03E B03T 103.9(6) . . . . ?
B02R C02P B03E B03U 142.0(6) . . . . ?
B02R C02P B03J C012 30.6(5) . . . . ?
B02R C02P B03J B02W -3.0(7) . . . . ?
B02R C02P B03J B03H -65.7(7) . . . . ?
B02R C02P B03J B03U -105.7(7) . . . . ?
B02R C02P B03U B03E -36.8(6) . . . . ?
B02R C02P B03U B03H 65.4(7) . . . . ?
B02R C02P B03U B03J 105.0(6) . . . . ?
B02R C02P B03U B03T 1.4(8) . . . . ?
B02R B030 B03C B02F -37.4(5) . . . . ?
B02R B030 B03C B02W 2.3(8) . . . . ?
B02R B030 B03C B03H 65.3(7) . . . . ?
B02R B030 B03C B03T 101.5(7) . . . . ?
B02R B030 B03E C02P -41.2(5) . . . . ?
B02R B030 B03E B03T -139.8(6) . . . . ?
B02R B030 B03E B03U -103.1(5) . . . . ?
B02R B030 B03T B03C -101.7(6) . . . . ?
B02R B030 B03T B03E 36.5(5) . . . . ?
B02R B030 B03T B03H -65.1(8) . . . . ?
B02R B030 B03T B03U -1.7(8) . . . . ?
B02R B03E B03T B030 -36.4(5) . . . . ?
B02R B03E B03T B03C 1.2(8) . . . . ?
B02R B03E B03T B03H 64.6(8) . . . . ?
B02R B03E B03T B03U 102.1(6) . . . . ?
B02R B03E B03U C02P 34.9(6) . . . . ?
B02R B03E B03U B03H -62.9(7) . . . . ?
B02R B03E B03U B03J 0.3(9) . . . . ?
B02R B03E B03U B03T -101.1(7) . . . . ?
B02S C00N C00V S008 -174.1(5) . . . . ?
B02S C00N C00V N00F 10.1(9) . . . . ?
B02S C00N B01G Ir04 157.6(4) . . . . ?
B02S C00N B01G B026 -109.7(6) . . . . ?
B02S C00N B01G B02I 34.8(5) . . . . ?
B02S C00N B01G B02V -66.1(6) . . . . ?
B02S C00N B01G B03G -5.2(7) . . . . ?
B02S C00N C01Y B026 148.1(5) . . . . ?
B02S C00N C01Y B02X 106.8(6) . . . . ?
B02S C00N C01Y B03M 39.7(6) . . . . ?
B02S C00N B026 Ir02 -157.3(5) . . . . ?
B02S C00N B026 B01G 107.9(6) . . . . ?
B02S C00N B026 C01Y -32.4(6) . . . . ?
B02S C00N B026 B02V 64.1(7) . . . . ?
B02S C00N B026 B02X 3.9(7) . . . . ?
B02S C00N B02I B01G -145.4(5) . . . . ?
B02S C00N B02I B03G -103.5(6) . . . . ?
B02S C00N B02I B03V -39.8(5) . . . . ?
B02S C01Y B026 Ir02 121.1(6) . . . . ?
B02S C01Y B026 C00N 30.2(5) . . . . ?
B02S C01Y B026 B01G -3.8(6) . . . . ?
B02S C01Y B026 B02V -65.8(6) . . . . ?
B02S C01Y B026 B02X -105.3(6) . . . . ?
B02S C01Y B02X B026 105.6(6) . . . . ?
B02S C01Y B02X B02V 65.1(7) . . . . ?
B02S C01Y B02X B03M -36.8(6) . . . . ?
B02S C01Y B02X B03X 2.3(8) . . . . ?
B02S C01Y B03M B02X 141.4(6) . . . . ?
B02S C01Y B03M B03V 39.2(6) . . . . ?
B02S C01Y B03M B03X 102.2(6) . . . . ?
B02S B02I B03G B01G -103.4(6) . . . . ?
B02S B02I B03G B02V -64.8(7) . . . . ?
B02S B02I B03G B03V 36.0(5) . . . . ?
B02S B02I B03G B03X -2.3(7) . . . . ?
B02S B02I B03V B03G -139.7(6) . . . . ?
B02S B02I B03V B03M -39.4(6) . . . . ?
B02S B02I B03V B03X -101.4(6) . . . . ?
B02S B03M B03V B02I 39.2(5) . . . . ?
B02S B03M B03V B03G 101.5(6) . . . . ?
B02S B03M B03V B03X 138.0(6) . . . . ?
B02S B03M B03X B02V 63.9(7) . . . . ?
B02S B03M B03X B02X 100.9(6) . . . . ?
B02S B03M B03X B03G 0.2(7) . . . . ?
B02S B03M B03X B03V -36.9(5) . . . . ?
B02S B03V B03X B02V -64.0(8) . . . . ?
B02S B03V B03X B02X -0.5(8) . . . . ?
B02S B03V B03X B03G -101.3(6) . . . . ?
B02S B03V B03X B03M 37.7(6) . . . . ?
C02T C00W C01O Ir05 123.6(8) . . . . ?
C02T C00W C01O C01D -174.4(7) . . . . ?
C02T C00W C01O C033 3.1(12) . . . . ?
C02U C00R C00W Ir05 123.2(8) . . . . ?
C02U C00R C00W C01O -171.9(7) . . . . ?
C02U C00R C00W C02T 2.4(13) . . . . ?
C02U C00R C015 Ir05 -123.5(8) . . . . ?
C02U C00R C015 C01D 171.4(7) . . . . ?
C02U C00R C015 C027 -5.9(12) . . . . ?
B02V B01G B026 Ir02 124.4(5) . . . . ?
B02V B01G B026 C00N -128.7(5) . . . . ?
B02V B01G B026 C01Y -95.9(5) . . . . ?
B02V B01G B026 B02X -37.4(5) . . . . ?
B02V B01G B02I C00N 94.5(6) . . . . ?
B02V B01G B02I B02S 63.0(6) . . . . ?
B02V B01G B02I B03G -38.2(5) . . . . ?
B02V B01G B02I B03V -0.6(7) . . . . ?
B02V B01G B03G B02I 136.3(6) . . . . ?
B02V B01G B03G B03V 100.0(6) . . . . ?
B02V B01G B03G B03X 36.9(6) . . . . ?
B02V B026 B02X C01Y -133.5(6) . . . . ?
B02V B026 B02X B03M -99.5(6) . . . . ?
B02V B026 B02X B03X -36.2(6) . . . . ?
B02V B02X B03M C01Y -98.1(6) . . . . ?
B02V B02X B03M B02S -63.5(7) . . . . ?
B02V B02X B03M B03V -1.2(7) . . . . ?
B02V B02X B03M B03X 36.8(5) . . . . ?
B02V B02X B03X B03G -36.8(6) . . . . ?
B02V B02X B03X B03M -138.9(6) . . . . ?
B02V B02X B03X B03V -101.0(6) . . . . ?
B02V B03G B03V B02I 99.7(5) . . . . ?
B02V B03G B03V B02S 63.3(6) . . . . ?
B02V B03G B03V B03M -0.7(7) . . . . ?
B02V B03G B03V B03X -36.9(5) . . . . ?
B02V B03G B03X B02X 36.8(6) . . . . ?
B02V B03G B03X B03M 101.4(6) . . . . ?
B02V B03G B03X B03V 138.4(6) . . . . ?
B02W C012 C018 S007 100.5(6) . . . . ?
B02W C012 C018 N00D -82.2(8) . . . . ?
B02W C012 B02F Ir05 -123.9(5) . . . . ?
B02W C012 B02F B02R 144.0(5) . . . . ?
B02W C012 B02F B030 101.3(5) . . . . ?
B02W C012 B02F B03C 39.5(5) . . . . ?
B02W C012 C02P B02R -109.4(5) . . . . ?
B02W C012 C02P B03E -68.1(7) . . . . ?
B02W C012 C02P B03J 38.5(5) . . . . ?
B02W C012 C02P B03U -0.7(7) . . . . ?
B02W C012 B02R Ir01 -130.7(5) . . . . ?
B02W C012 B02R B02F -36.4(5) . . . . ?
B02W C012 B02R C02P 104.2(6) . . . . ?
B02W C012 B02R B030 6.6(7) . . . . ?
B02W C012 B02R B03E 67.2(7) . . . . ?
B02W C012 B03J C02P -140.3(5) . . . . ?
B02W C012 B03J B03H -40.2(5) . . . . ?
B02W C012 B03J B03U -102.8(6) . . . . ?
B02W B02F B02R Ir01 138.5(4) . . . . ?
B02W B02F B02R C012 30.9(4) . . . . ?
B02W B02F B02R C02P -2.0(6) . . . . ?
B02W B02F B02R B030 -98.5(5) . . . . ?
B02W B02F B02R B03E -61.2(6) . . . . ?
B02W B02F B030 B02R 100.8(6) . . . . ?
B02W B02F B030 B03C -38.1(5) . . . . ?
B02W B02F B030 B03E 62.5(6) . . . . ?
B02W B02F B030 B03T -0.8(7) . . . . ?
B02W B02F B03C B030 135.8(6) . . . . ?
B02W B02F B03C B03H 36.5(5) . . . . ?
B02W B02F B03C B03T 99.7(6) . . . . ?
B02W B03C B03H B03J 36.8(5) . . . . ?
B02W B03C B03H B03T 136.3(6) . . . . ?
B02W B03C B03H B03U 99.9(6) . . . . ?
B02W B03C B03T B030 100.6(6) . . . . ?
B02W B03C B03T B03E 63.2(7) . . . . ?
B02W B03C B03T B03H -38.5(5) . . . . ?
B02W B03C B03T B03U -1.9(7) . . . . ?
B02W B03H B03J C012 38.6(5) . . . . ?
B02W B03H B03J C02P 97.4(6) . . . . ?
B02W B03H B03J B03U 136.6(6) . . . . ?
B02W B03H B03T B030 1.3(8) . . . . ?
B02W B03H B03T B03C 38.1(6) . . . . ?
B02W B03H B03T B03E -62.4(8) . . . . ?
B02W B03H B03T B03U -100.7(6) . . . . ?
B02W B03H B03U C02P 1.2(8) . . . . ?
B02W B03H B03U B03E 61.8(7) . . . . ?
B02W B03H B03U B03J -38.9(5) . . . . ?
B02W B03H B03U B03T 99.1(6) . . . . ?
B02W B03J B03U C02P -95.9(6) . . . . ?
B02W B03J B03U B03E -62.5(7) . . . . ?
B02W B03J B03U B03H 38.9(5) . . . . ?
B02W B03J B03U B03T 0.6(7) . . . . ?
B02X C01Y B026 Ir02 -133.6(6) . . . . ?
B02X C01Y B026 C00N 135.4(6) . . . . ?
B02X C01Y B026 B01G 101.5(5) . . . . ?
B02X C01Y B026 B02V 39.4(5) . . . . ?
B02X C01Y B02S C00N -99.4(6) . . . . ?
B02X C01Y B02S B02I -65.3(7) . . . . ?
B02X C01Y B02S B03M 37.3(6) . . . . ?
B02X C01Y B02S B03V -2.7(8) . . . . ?
B02X C01Y B03M B02S -141.4(6) . . . . ?
B02X C01Y B03M B03V -102.2(7) . . . . ?
B02X C01Y B03M B03X -39.2(6) . . . . ?
B02X B026 B02V B01G 137.4(6) . . . . ?
B02X B026 B02V B03G 101.2(6) . . . . ?
B02X B026 B02V B03X 36.4(5) . . . . ?
B02X B02V B03G B01G 101.4(6) . . . . ?
B02X B02V B03G B02I 62.7(6) . . . . ?
B02X B02V B03G B03V -0.1(6) . . . . ?
B02X B02V B03G B03X -37.0(5) . . . . ?
B02X B02V B03X B03G 138.8(6) . . . . ?
B02X B02V B03X B03M 37.3(6) . . . . ?
B02X B02V B03X B03V 101.3(7) . . . . ?
B02X B03M B03V B02I -61.0(7) . . . . ?
B02X B03M B03V B02S -100.3(6) . . . . ?
B02X B03M B03V B03G 1.2(7) . . . . ?
B02X B03M B03V B03X 37.7(5) . . . . ?
B02X B03M B03X B02V -36.9(5) . . . . ?
B02X B03M B03X B03G -100.6(6) . . . . ?
B02X B03M B03X B03V -137.8(5) . . . . ?
C02Z C028 B046 B049 -39.2(7) . . . . ?
C02Z C028 B046 B04A 100.5(7) . . . . ?
C02Z C028 B046 B04B 0.3(10) . . . . ?
C02Z C028 B046 B04K 60.4(9) . . . . ?
C02Z C028 B049 B046 137.4(8) . . . . ?
C02Z C028 B049 B04B 98.1(8) . . . . ?
C02Z C028 B049 B04F 35.0(6) . . . . ?
C02Z C028 B04A B046 -105.0(7) . . . . ?
C02Z C028 B04A B04E 38.1(6) . . . . ?
C02Z C028 B04A B04K -63.4(9) . . . . ?
C02Z C028 B04A B04L -1.2(9) . . . . ?
C02Z C028 B04E B04A -137.6(7) . . . . ?
C02Z C028 B04E B04I -35.8(6) . . . . ?
C02Z C028 B04E B04L -97.6(8) . . . . ?
C02Z B049 B04B B046 97.4(7) . . . . ?
C02Z B049 B04B B04F -41.2(6) . . . . ?
C02Z B049 B04B B04K 58.1(11) . . . . ?
C02Z B049 B04B B04N -5.8(10) . . . . ?
C02Z B049 B04F B04B 131.1(7) . . . . ?
C02Z B049 B04F B04I 33.1(7) . . . . ?
C02Z B049 B04F B04N 96.1(8) . . . . ?
C02Z B04E B04I B04F -31.7(7) . . . . ?
C02Z B04E B04I B04L -134.5(9) . . . . ?
C02Z B04E B04I B04N -96.6(9) . . . . ?
C02Z B04E B04L B04A -98.6(8) . . . . ?
C02Z B04E B04L B04I 39.4(8) . . . . ?
C02Z B04E B04L B04K -62.2(10) . . . . ?
C02Z B04E B04L B04N 1.4(12) . . . . ?
C02Z B04F B04I B04E 31.7(7) . . . . ?
C02Z B04F B04I B04L 94.7(8) . . . . ?
C02Z B04F B04I B04N 133.7(8) . . . . ?
C02Z B04F B04N B04B 97.8(8) . . . . ?
C02Z B04F B04N B04I -40.3(7) . . . . ?
C02Z B04F B04N B04K 59.7(10) . . . . ?
C02Z B04F B04N B04L -2.6(12) . . . . ?
C02Z B04I B04L B04A -1.2(10) . . . . ?
C02Z B04I B04L B04E -38.3(7) . . . . ?
C02Z B04I B04L B04K 61.4(9) . . . . ?
C02Z B04I B04L B04N 99.5(9) . . . . ?
C02Z B04I B04N B04B 1.5(10) . . . . ?
C02Z B04I B04N B04F 39.1(7) . . . . ?
C02Z B04I B04N B04K -60.4(10) . . . . ?
C02Z B04I B04N B04L -97.8(9) . . . . ?
B030 B02F B02R Ir01 -123.0(5) . . . . ?
B030 B02F B02R C012 129.4(5) . . . . ?
B030 B02F B02R C02P 96.5(5) . . . . ?
B030 B02F B02R B03E 37.3(5) . . . . ?
B030 B02F B02W C012 -93.8(5) . . . . ?
B030 B02F B02W B03C 39.0(5) . . . . ?
B030 B02F B02W B03H 1.6(7) . . . . ?
B030 B02F B02W B03J -61.7(6) . . . . ?
B030 B02F B03C B02W -135.8(6) . . . . ?
B030 B02F B03C B03H -99.4(6) . . . . ?
B030 B02F B03C B03T -36.1(6) . . . . ?
B030 B02R B03E C02P 133.6(6) . . . . ?
B030 B02R B03E B03T 36.6(6) . . . . ?
B030 B02R B03E B03U 99.6(7) . . . . ?
B030 B03C B03H B02W -100.3(6) . . . . ?
B030 B03C B03H B03J -63.5(6) . . . . ?
B030 B03C B03H B03T 36.0(5) . . . . ?
B030 B03C B03H B03U -0.4(6) . . . . ?
B030 B03C B03T B03E -37.4(5) . . . . ?
B030 B03C B03T B03H -139.2(6) . . . . ?
B030 B03C B03T B03U -102.5(6) . . . . ?
B030 B03E B03T B03C 37.5(5) . . . . ?
B030 B03E B03T B03H 100.9(6) . . . . ?
B030 B03E B03T B03U 138.4(6) . . . . ?
B030 B03E B03U C02P 98.6(6) . . . . ?
B030 B03E B03U B03H 0.9(7) . . . . ?
B030 B03E B03U B03J 64.1(7) . . . . ?
B030 B03E B03U B03T -37.4(5) . . . . ?
B030 B03T B03U C02P 0.2(8) . . . . ?
B030 B03T B03U B03E 37.5(5) . . . . ?
B030 B03T B03U B03H -100.6(6) . . . . ?
B030 B03T B03U B03J -63.1(7) . . . . ?
C031 C01K C024 Ir03 -127.0(7) . . . . ?
C031 C01K C024 C025 170.5(6) . . . . ?
C031 C01K C024 C02J -2.3(12) . . . . ?
B032 B02A B02C C00M 99.1(6) . . . . ?
B032 B02A B02C B02D 138.1(6) . . . . ?
B032 B02A B02C B02O 37.3(5) . . . . ?
B032 B02A B02D C00M 1.9(7) . . . . ?
B032 B02A B02D B02C -37.3(5) . . . . ?
B032 B02A B02D B02Q 101.5(6) . . . . ?
B032 B02A B02D B034 63.8(7) . . . . ?
B032 B02A B02N B02Q -139.0(6) . . . . ?
B032 B02A B02N B03A -37.8(5) . . . . ?
B032 B02A B02N B03F -101.3(6) . . . . ?
B032 B02A B02Q B02D -100.3(6) . . . . ?
B032 B02A B02Q B02N 36.6(5) . . . . ?
B032 B02A B02Q B034 -63.1(7) . . . . ?
B032 B02A B02Q B03F -0.4(7) . . . . ?
B032 B02C B02D C00M -96.0(6) . . . . ?
B032 B02C B02D B02A 38.0(5) . . . . ?
B032 B02C B02D B02Q 0.8(7) . . . . ?
B032 B02C B02D B034 -62.8(7) . . . . ?
B032 B02C B02O C00M 133.8(6) . . . . ?
B032 B02C B02O C01H 99.0(6) . . . . ?
B032 B02C B02O B03A 38.3(5) . . . . ?
B032 B02N B02Q B02A -37.2(5) . . . . ?
B032 B02N B02Q B02D 0.7(7) . . . . ?
B032 B02N B02Q B034 63.1(7) . . . . ?
B032 B02N B02Q B03F 100.7(6) . . . . ?
B032 B02N B03A C01H -98.8(6) . . . . ?
B032 B02N B03A B02O -37.1(5) . . . . ?
B032 B02N B03A B03F -138.7(6) . . . . ?
B032 B02N B03F C01H -2.4(7) . . . . ?
B032 B02N B03F B02Q -102.1(6) . . . . ?
B032 B02N B03F B034 -64.2(7) . . . . ?
B032 B02N B03F B03A 37.2(6) . . . . ?
B032 B02O B03A C01H 134.2(6) . . . . ?
B032 B02O B03A B02N 37.3(5) . . . . ?
B032 B02O B03A B03F 101.9(6) . . . . ?
B032 B03A B03F C01H 96.2(6) . . . . ?
B032 B03A B03F B02N -37.5(5) . . . . ?
B032 B03A B03F B02Q -0.8(7) . . . . ?
B032 B03A B03F B034 62.5(7) . . . . ?
B034 C00M C01H C01N 105.7(6) . . . . ?
B034 C00M C01H B02O -147.5(5) . . . . ?
B034 C00M C01H B03A -106.9(6) . . . . ?
B034 C00M C01H B03F -39.4(5) . . . . ?
B034 C00M B02C B02A 3.5(7) . . . . ?
B034 C00M B02C B02D -36.5(5) . . . . ?
B034 C00M B02C B02O 106.7(6) . . . . ?
B034 C00M B02C B032 66.5(7) . . . . ?
B034 C00M B02D B02A 103.0(6) . . . . ?
B034 C00M B02D B02C 142.8(6) . . . . ?
B034 C00M B02D B02Q 40.3(5) . . . . ?
B034 C00M B02O C01H 31.5(5) . . . . ?
B034 C00M B02O B02C -107.1(6) . . . . ?
B034 C00M B02O B032 -67.3(6) . . . . ?
B034 C00M B02O B03A -5.3(7) . . . . ?
B034 C01H C01N S009 -128.8(5) . . . . ?
B034 C01H C01N N00E 53.9(7) . . . . ?
B034 C01H B02O C00M -31.4(5) . . . . ?
B034 C01H B02O B02C 3.7(7) . . . . ?
B034 C01H B02O B032 65.4(6) . . . . ?
B034 C01H B02O B03A 105.4(6) . . . . ?
B034 C01H B03A B02N -4.4(7) . . . . ?
B034 C01H B03A B02O -107.2(6) . . . . ?
B034 C01H B03A B032 -67.2(7) . . . . ?
B034 C01H B03A B03F 36.5(5) . . . . ?
B034 C01H B03F B02N -102.3(6) . . . . ?
B034 C01H B03F B02Q -39.8(5) . . . . ?
B034 C01H B03F B03A -142.3(6) . . . . ?
B034 B02D B02Q B02A 137.9(6) . . . . ?
B034 B02D B02Q B02N 100.1(6) . . . . ?
B034 B02D B02Q B03F 37.8(5) . . . . ?
B034 B02Q B03F C01H 39.6(5) . . . . ?
B034 B02Q B03F B02N 137.4(6) . . . . ?
B034 B02Q B03F B03A 101.1(6) . . . . ?
B035 C00T C01E C01F -106.7(6) . . . . ?
B035 C00T C01E B03N 40.2(5) . . . . ?
B035 C00T C01E B040 147.5(6) . . . . ?
B035 C00T C01E B044 107.7(6) . . . . ?
B035 C00T B036 B038 -143.5(6) . . . . ?
B035 C00T B036 B03O -40.2(5) . . . . ?
B035 C00T B036 B03S -103.3(6) . . . . ?
B035 C00T B038 B036 35.8(6) . . . . ?
B035 C00T B038 B03S -4.8(8) . . . . ?
B035 C00T B038 B03Z -67.5(7) . . . . ?
B035 C00T B038 B040 -107.7(6) . . . . ?
B035 C00T B040 C01E -31.7(5) . . . . ?
B035 C00T B040 B038 106.7(6) . . . . ?
B035 C00T B040 B03Z 65.8(7) . . . . ?
B035 C00T B040 B044 4.4(8) . . . . ?
B035 C01E C01F S00B 122.1(5) . . . . ?
B035 C01E C01F N00G -59.9(7) . . . . ?
B035 C01E B03N B03B 102.7(6) . . . . ?
B035 C01E B03N B03O 39.2(5) . . . . ?
B035 C01E B03N B044 142.2(6) . . . . ?
B035 C01E B040 C00T 30.9(5) . . . . ?
B035 C01E B040 B038 -4.3(7) . . . . ?
B035 C01E B040 B03Z -66.5(7) . . . . ?
B035 C01E B040 B044 -106.4(6) . . . . ?
B035 C01E B044 B03B 2.5(7) . . . . ?
B035 C01E B044 B03N -36.8(6) . . . . ?
B035 C01E B044 B03Z 65.2(7) . . . . ?
B035 C01E B044 B040 105.3(6) . . . . ?
B035 B036 B038 C00T -32.5(5) . . . . ?
B035 B036 B038 B03S 101.1(7) . . . . ?
B035 B036 B038 B03Z 62.8(7) . . . . ?
B035 B036 B038 B040 0.1(8) . . . . ?
B035 B036 B03O B03B -100.6(7) . . . . ?
B035 B036 B03O B03N -38.4(6) . . . . ?
B035 B036 B03O B03S -138.2(7) . . . . ?
B035 B036 B03S B038 -101.0(6) . . . . ?
B035 B036 B03S B03B -0.2(8) . . . . ?
B035 B036 B03S B03O 37.3(6) . . . . ?
B035 B036 B03S B03Z -62.7(7) . . . . ?
B035 B03N B03O B036 38.4(6) . . . . ?
B035 B03N B03O B03B 138.1(6) . . . . ?
B035 B03N B03O B03S 101.2(6) . . . . ?
B035 B03N B044 C01E 33.7(5) . . . . ?
B035 B03N B044 B03B -101.0(6) . . . . ?
B035 B03N B044 B03Z -63.4(7) . . . . ?
B035 B03N B044 B040 -0.4(8) . . . . ?
B035 B03O B03S B036 -37.7(6) . . . . ?
B035 B03O B03S B038 -0.3(9) . . . . ?
B035 B03O B03S B03B 100.3(7) . . . . ?
B035 B03O B03S B03Z 63.5(8) . . . . ?
B036 C00T C01E C01F -145.6(6) . . . . ?
B036 C00T C01E B035 -38.9(5) . . . . ?
B036 C00T C01E B03N 1.3(7) . . . . ?
B036 C00T C01E B040 108.6(6) . . . . ?
B036 C00T C01E B044 68.8(7) . . . . ?
B036 C00T B035 C01E 139.1(6) . . . . ?
B036 C00T B035 B03N 102.5(6) . . . . ?
B036 C00T B035 B03O 40.3(6) . . . . ?
B036 C00T B038 B03S -40.5(6) . . . . ?
B036 C00T B038 B03Z -103.2(7) . . . . ?
B036 C00T B038 B040 -143.5(6) . . . . ?
B036 C00T B040 C01E -102.4(6) . . . . ?
B036 C00T B040 B038 36.0(6) . . . . ?
B036 C00T B040 B03Z -4.9(7) . . . . ?
B036 C00T B040 B044 -66.3(7) . . . . ?
B036 B035 B03N C01E 96.9(6) . . . . ?
B036 B035 B03N B03B 0.2(8) . . . . ?
B036 B035 B03N B03O -37.8(6) . . . . ?
B036 B035 B03N B044 63.5(7) . . . . ?
B036 B035 B03O B03B 100.8(6) . . . . ?
B036 B035 B03O B03N 137.6(6) . . . . ?
B036 B035 B03O B03S 37.2(6) . . . . ?
B036 B038 B03S B03B -100.4(7) . . . . ?
B036 B038 B03S B03O -37.1(6) . . . . ?
B036 B038 B03S B03Z -137.5(7) . . . . ?
B036 B038 B03Z B03B 0.3(8) . . . . ?
B036 B038 B03Z B03S 38.1(6) . . . . ?
B036 B038 B03Z B040 -101.6(6) . . . . ?
B036 B038 B03Z B044 -62.7(8) . . . . ?
B036 B038 B040 C00T -32.6(5) . . . . ?
B036 B038 B040 C01E 2.4(7) . . . . ?
B036 B038 B040 B03Z 100.3(7) . . . . ?
B036 B038 B040 B044 62.3(7) . . . . ?
B036 B03O B03S B038 37.3(6) . . . . ?
B036 B03O B03S B03B 138.0(7) . . . . ?
B036 B03O B03S B03Z 101.2(7) . . . . ?
B036 B03S B03Z B038 -38.1(6) . . . . ?
B036 B03S B03Z B03B 100.0(7) . . . . ?
B036 B03S B03Z B040 -1.6(8) . . . . ?
B036 B03S B03Z B044 62.9(8) . . . . ?
C037 C03Q C03Y Ir06 -63.7(6) . . . . ?
C037 C03Q C03Y C039 -2.1(9) . . . . ?
C037 C03Q C03Y C04H 176.8(9) . . . . ?
B038 C00T C01E C01F 145.9(6) . . . . ?
B038 C00T C01E B035 -107.4(6) . . . . ?
B038 C00T C01E B03N -67.2(7) . . . . ?
B038 C00T C01E B040 40.1(6) . . . . ?
B038 C00T C01E B044 0.3(7) . . . . ?
B038 C00T B035 C01E 103.3(6) . . . . ?
B038 C00T B035 B036 -35.7(6) . . . . ?
B038 C00T B035 B03N 66.8(7) . . . . ?
B038 C00T B035 B03O 4.6(8) . . . . ?
B038 C00T B036 B035 143.5(6) . . . . ?
B038 C00T B036 B03O 103.3(6) . . . . ?
B038 C00T B036 B03S 40.2(5) . . . . ?
B038 C00T B040 C01E -138.4(6) . . . . ?
B038 C00T B040 B03Z -40.8(5) . . . . ?
B038 C00T B040 B044 -102.3(6) . . . . ?
B038 B036 B03O B035 100.8(7) . . . . ?
B038 B036 B03O B03B 0.2(8) . . . . ?
B038 B036 B03O B03N 62.4(8) . . . . ?
B038 B036 B03O B03S -37.4(6) . . . . ?
B038 B036 B03S B03B 100.8(7) . . . . ?
B038 B036 B03S B03O 138.2(7) . . . . ?
B038 B036 B03S B03Z 38.3(6) . . . . ?
B038 B03S B03Z B03B 138.1(6) . . . . ?
B038 B03S B03Z B040 36.4(6) . . . . ?
B038 B03S B03Z B044 101.0(6) . . . . ?
B038 B03Z B040 C00T 39.4(5) . . . . ?
B038 B03Z B040 C01E 98.2(6) . . . . ?
B038 B03Z B040 B044 137.0(7) . . . . ?
B038 B03Z B044 C01E 1.5(9) . . . . ?
B038 B03Z B044 B03B 100.0(7) . . . . ?
B038 B03Z B044 B03N 62.8(8) . . . . ?
B038 B03Z B044 B040 -38.8(6) . . . . ?
B038 B040 B044 C01E -95.5(6) . . . . ?
B038 B040 B044 B03B 1.3(8) . . . . ?
B038 B040 B044 B03N -61.9(7) . . . . ?
B038 B040 B044 B03Z 38.3(6) . . . . ?
B03A C01H C01N S009 19.1(8) . . . . ?
B03A C01H C01N N00E -158.2(6) . . . . ?
B03A C01H B02O C00M -136.8(5) . . . . ?
B03A C01H B02O B02C -101.6(6) . . . . ?
B03A C01H B02O B032 -40.0(5) . . . . ?
B03A C01H B034 C00M 101.5(6) . . . . ?
B03A C01H B034 B02D 66.5(6) . . . . ?
B03A C01H B034 B02Q 3.8(7) . . . . ?
B03A C01H B034 B03F -36.5(5) . . . . ?
B03A C01H B03F B02N 39.9(5) . . . . ?
B03A C01H B03F B02Q 102.5(6) . . . . ?
B03A C01H B03F B034 142.3(6) . . . . ?
B03A B02N B02Q B02A -101.4(6) . . . . ?
B03A B02N B02Q B02D -63.5(7) . . . . ?
B03A B02N B02Q B034 -1.0(8) . . . . ?
B03A B02N B02Q B03F 36.5(5) . . . . ?
B03A B02N B032 B02A 138.1(6) . . . . ?
B03A B02N B032 B02C 100.8(6) . . . . ?
B03A B02N B032 B02O 36.9(5) . . . . ?
B03A B02N B03F C01H -39.6(5) . . . . ?
B03A B02N B03F B02Q -139.3(6) . . . . ?
B03A B02N B03F B034 -101.4(6) . . . . ?
B03A B02O B032 B02A -99.6(6) . . . . ?
B03A B02O B032 B02C -136.9(6) . . . . ?
B03A B02O B032 B02N -36.6(5) . . . . ?
B03B B03N B03O B035 -138.1(6) . . . . ?
B03B B03N B03O B036 -99.8(7) . . . . ?
B03B B03N B03O B03S -36.9(6) . . . . ?
B03B B03N B044 C01E 134.7(6) . . . . ?
B03B B03N B044 B03Z 37.6(6) . . . . ?
B03B B03N B044 B040 100.6(7) . . . . ?
B03B B03O B03S B036 -138.0(7) . . . . ?
B03B B03O B03S B038 -100.6(7) . . . . ?
B03B B03O B03S B03Z -36.8(6) . . . . ?
B03B B03S B03Z B038 -138.1(6) . . . . ?
B03B B03S B03Z B040 -101.6(7) . . . . ?
B03B B03S B03Z B044 -37.1(6) . . . . ?
B03B B03Z B040 C00T -60.8(8) . . . . ?
B03B B03Z B040 C01E -2.0(8) . . . . ?
B03B B03Z B040 B038 -100.2(7) . . . . ?
B03B B03Z B040 B044 36.9(6) . . . . ?
B03B B03Z B044 C01E -98.5(7) . . . . ?
B03B B03Z B044 B03N -37.2(6) . . . . ?
B03B B03Z B044 B040 -138.8(7) . . . . ?
B03C B02F B02R Ir01 -160.0(4) . . . . ?
B03C B02F B02R C012 92.4(5) . . . . ?
B03C B02F B02R C02P 59.5(6) . . . . ?
B03C B02F B02R B030 -37.0(5) . . . . ?
B03C B02F B02R B03E 0.4(7) . . . . ?
B03C B02F B02W C012 -132.8(6) . . . . ?
B03C B02F B02W B03H -37.4(6) . . . . ?
B03C B02F B02W B03J -100.7(6) . . . . ?
B03C B02F B030 B02R 138.9(6) . . . . ?
B03C B02F B030 B03E 100.5(6) . . . . ?
B03C B02F B030 B03T 37.3(6) . . . . ?
B03C B02W B03H B03J -139.2(6) . . . . ?
B03C B02W B03H B03T -38.9(6) . . . . ?
B03C B02W B03H B03U -100.7(6) . . . . ?
B03C B02W B03J C012 -96.6(5) . . . . ?
B03C B02W B03J C02P -63.2(6) . . . . ?
B03C B02W B03J B03H 37.3(5) . . . . ?
B03C B02W B03J B03U -1.8(7) . . . . ?
B03C B030 B03E C02P 60.7(6) . . . . ?
B03C B030 B03E B02R 102.0(5) . . . . ?
B03C B030 B03E B03T -37.8(5) . . . . ?
B03C B030 B03E B03U -1.1(6) . . . . ?
B03C B030 B03T B03E 138.2(6) . . . . ?
B03C B030 B03T B03H 36.6(6) . . . . ?
B03C B030 B03T B03U 100.0(6) . . . . ?
B03C B03H B03J C012 2.5(7) . . . . ?
B03C B03H B03J C02P 61.4(7) . . . . ?
B03C B03H B03J B02W -36.0(5) . . . . ?
B03C B03H B03J B03U 100.5(6) . . . . ?
B03C B03H B03T B030 -36.8(6) . . . . ?
B03C B03H B03T B03E -100.5(6) . . . . ?
B03C B03H B03T B03U -138.8(5) . . . . ?
B03C B03H B03U C02P -60.9(7) . . . . ?
B03C B03H B03U B03E -0.3(7) . . . . ?
B03C B03H B03U B03J -100.9(6) . . . . ?
B03C B03H B03U B03T 37.1(5) . . . . ?
B03C B03T B03U C02P 64.2(7) . . . . ?
B03C B03T B03U B03E 101.4(6) . . . . ?
B03C B03T B03U B03H -36.7(5) . . . . ?
B03C B03T B03U B03J 0.8(7) . . . . ?
C03D C01J C01T Ir04 -122.7(7) . . . . ?
C03D C01J C01T C01B 171.9(7) . . . . ?
C03D C01J C01T C03K -0.3(12) . . . . ?
B03E C02P B02R Ir01 133.1(7) . . . . ?
B03E C02P B02R C012 -135.1(6) . . . . ?
B03E C02P B02R B02F -101.3(5) . . . . ?
B03E C02P B02R B030 -39.7(5) . . . . ?
B03E C02P B03J C012 99.3(6) . . . . ?
B03E C02P B03J B02W 65.7(6) . . . . ?
B03E C02P B03J B03H 2.9(8) . . . . ?
B03E C02P B03J B03U -37.1(6) . . . . ?
B03E C02P B03U B03H 102.2(7) . . . . ?
B03E C02P B03U B03J 141.8(7) . . . . ?
B03E C02P B03U B03T 38.2(6) . . . . ?
B03E B02R B030 B02F -137.6(6) . . . . ?
B03E B02R B030 B03C -100.7(6) . . . . ?
B03E B02R B030 B03T -36.0(5) . . . . ?
B03E B030 B03C B02F -101.7(5) . . . . ?
B03E B030 B03C B02W -62.0(7) . . . . ?
B03E B030 B03C B03H 0.9(6) . . . . ?
B03E B030 B03C B03T 37.2(5) . . . . ?
B03E B030 B03T B03C -138.2(6) . . . . ?
B03E B030 B03T B03H -101.6(7) . . . . ?
B03E B030 B03T B03U -38.2(6) . . . . ?
B03E B03T B03U C02P -37.3(5) . . . . ?
B03E B03T B03U B03H -138.1(6) . . . . ?
B03E B03T B03U B03J -100.6(6) . . . . ?
B03F C01H C01N S009 -56.8(7) . . . . ?
B03F C01H C01N N00E 125.9(6) . . . . ?
B03F C01H B02O C00M -101.3(6) . . . . ?
B03F C01H B02O B02C -66.2(6) . . . . ?
B03F C01H B02O B032 -4.5(7) . . . . ?
B03F C01H B02O B03A 35.4(5) . . . . ?
B03F C01H B034 C00M 138.0(5) . . . . ?
B03F C01H B034 B02D 102.9(6) . . . . ?
B03F C01H B034 B02Q 40.2(5) . . . . ?
B03F C01H B03A B02N -40.9(5) . . . . ?
B03F C01H B03A B02O -143.7(6) . . . . ?
B03F C01H B03A B032 -103.7(6) . . . . ?
B03F B02N B02Q B02A -137.9(6) . . . . ?
B03F B02N B02Q B02D -100.0(6) . . . . ?
B03F B02N B02Q B034 -37.6(5) . . . . ?
B03F B02N B032 B02A 101.1(6) . . . . ?
B03F B02N B032 B02C 63.8(7) . . . . ?
B03F B02N B032 B02O -0.1(8) . . . . ?
B03F B02N B032 B03A -37.0(5) . . . . ?
B03F B02N B03A C01H 39.9(5) . . . . ?
B03F B02N B03A B02O 101.6(6) . . . . ?
B03F B02N B03A B032 138.7(6) . . . . ?
B03F B02Q B034 C00M -98.0(6) . . . . ?
B03F B02Q B034 C01H -39.0(5) . . . . ?
B03F B02Q B034 B02D -137.1(6) . . . . ?
B03G B01G B026 Ir02 159.9(4) . . . . ?
B03G B01G B026 C00N -93.3(6) . . . . ?
B03G B01G B026 C01Y -60.4(6) . . . . ?
B03G B01G B026 B02V 35.5(5) . . . . ?
B03G B01G B026 B02X -1.9(7) . . . . ?
B03G B01G B02I C00N 132.6(6) . . . . ?
B03G B01G B02I B02S 101.1(6) . . . . ?
B03G B01G B02I B03V 37.6(6) . . . . ?
B03G B01G B02V B026 -140.3(6) . . . . ?
B03G B01G B02V B02X -101.4(6) . . . . ?
B03G B01G B02V B03X -37.7(6) . . . . ?
B03G B02I B02S C00N 96.8(5) . . . . ?
B03G B02I B02S C01Y 63.0(6) . . . . ?
B03G B02I B02S B03M 2.4(7) . . . . ?
B03G B02I B02S B03V -36.9(5) . . . . ?
B03G B02I B03V B02S 139.7(6) . . . . ?
B03G B02I B03V B03M 100.3(6) . . . . ?
B03G B02I B03V B03X 38.3(6) . . . . ?
B03G B02V B02X C01Y -61.3(6) . . . . ?
B03G B02V B02X B026 -102.6(5) . . . . ?
B03G B02V B02X B03M 0.8(7) . . . . ?
B03G B02V B02X B03X 37.2(5) . . . . ?
B03G B02V B03X B02X -138.8(6) . . . . ?
B03G B02V B03X B03M -101.5(6) . . . . ?
B03G B02V B03X B03V -37.5(6) . . . . ?
B03G B03V B03X B02V 37.3(6) . . . . ?
B03G B03V B03X B02X 100.8(6) . . . . ?
B03G B03V B03X B03M 139.0(6) . . . . ?
B03H B02W B03C B02F 139.5(6) . . . . ?
B03H B02W B03C B030 100.4(6) . . . . ?
B03H B02W B03C B03T 38.5(5) . . . . ?
B03H B02W B03J C012 -133.9(5) . . . . ?
B03H B02W B03J C02P -100.5(6) . . . . ?
B03H B02W B03J B03U -39.1(5) . . . . ?
B03H B03C B03T B030 139.2(6) . . . . ?
B03H B03C B03T B03E 101.8(7) . . . . ?
B03H B03C B03T B03U 36.7(5) . . . . ?
B03H B03J B03U C02P -134.8(7) . . . . ?
B03H B03J B03U B03E -101.4(7) . . . . ?
B03H B03J B03U B03T -38.4(6) . . . . ?
B03H B03T B03U C02P 100.9(6) . . . . ?
B03H B03T B03U B03E 138.1(6) . . . . ?
B03H B03T B03U B03J 37.5(5) . . . . ?
C03I C037 C03Q Ir06 -59.1(5) . . . . ?
C03I C037 C03Q C03Y 2.8(9) . . . . ?
C03I C037 C03Q C04O 177.9(9) . . . . ?
C03I C039 C03Y Ir06 62.4(5) . . . . ?
C03I C039 C03Y C03Q 0.5(9) . . . . ?
C03I C039 C03Y C04H -178.3(9) . . . . ?
B03J C012 C018 S007 175.9(5) . . . . ?
B03J C012 C018 N00D -6.8(9) . . . . ?
B03J C012 B02F Ir05 -159.3(4) . . . . ?
B03J C012 B02F B02R 108.6(6) . . . . ?
B03J C012 B02F B02W -35.4(5) . . . . ?
B03J C012 B02F B030 65.9(6) . . . . ?
B03J C012 B02F B03C 4.1(7) . . . . ?
B03J C012 C02P B02R -147.9(5) . . . . ?
B03J C012 C02P B03E -106.6(6) . . . . ?
B03J C012 C02P B03U -39.2(5) . . . . ?
B03J C012 B02R Ir01 157.2(5) . . . . ?
B03J C012 B02R B02F -108.5(6) . . . . ?
B03J C012 B02R C02P 32.1(6) . . . . ?
B03J C012 B02R B030 -65.5(7) . . . . ?
B03J C012 B02R B03E -4.9(7) . . . . ?
B03J C012 B02W B02F 144.7(5) . . . . ?
B03J C012 B02W B03C 103.4(6) . . . . ?
B03J C012 B02W B03H 39.7(5) . . . . ?
B03J C02P B02R Ir01 -122.4(6) . . . . ?
B03J C02P B02R C012 -30.5(5) . . . . ?
B03J C02P B02R B02F 3.2(6) . . . . ?
B03J C02P B02R B030 64.9(6) . . . . ?
B03J C02P B02R B03E 104.5(6) . . . . ?
B03J C02P B03E B02R -106.1(6) . . . . ?
B03J C02P B03E B030 -65.3(7) . . . . ?
B03J C02P B03E B03T -2.2(8) . . . . ?
B03J C02P B03E B03U 35.9(6) . . . . ?
B03J C02P B03U B03E -141.8(7) . . . . ?
B03J C02P B03U B03H -39.6(6) . . . . ?
B03J C02P B03U B03T -103.6(7) . . . . ?
B03J B02W B03C B02F 103.2(6) . . . . ?
B03J B02W B03C B030 64.2(7) . . . . ?
B03J B02W B03C B03H -36.3(5) . . . . ?
B03J B02W B03C B03T 2.2(7) . . . . ?
B03J B02W B03H B03C 139.2(6) . . . . ?
B03J B02W B03H B03T 100.3(7) . . . . ?
B03J B02W B03H B03U 38.5(6) . . . . ?
B03J B03H B03T B030 64.8(8) . . . . ?
B03J B03H B03T B03C 101.6(6) . . . . ?
B03J B03H B03T B03E 1.2(8) . . . . ?
B03J B03H B03T B03U -37.1(6) . . . . ?
B03J B03H B03U C02P 40.0(5) . . . . ?
B03J B03H B03U B03E 100.6(6) . . . . ?
B03J B03H B03U B03T 138.0(6) . . . . ?
B03L C029 B03P C01L 138.6(7) . . . . ?
B03L C029 B03P B041 102.4(7) . . . . ?
B03L C029 B03P B043 38.5(7) . . . . ?
B03L C029 B047 C01L -104.0(7) . . . . ?
B03L C029 B047 B045 -67.1(8) . . . . ?
B03L C029 B047 B04C 35.5(7) . . . . ?
B03L C029 B047 B04J -5.7(10) . . . . ?
B03L C029 B04C B047 -143.5(8) . . . . ?
B03L C029 B04C B04D -41.9(7) . . . . ?
B03L C029 B04C B04J -102.4(9) . . . . ?
B03L B03P B041 C01L 94.6(7) . . . . ?
B03L B03P B041 B043 -39.6(8) . . . . ?
B03L B03P B041 B045 61.2(9) . . . . ?
B03L B03P B041 B04G -2.4(11) . . . . ?
B03L B03P B043 B041 135.6(9) . . . . ?
B03L B03P B043 B04D 38.3(8) . . . . ?
B03L B03P B043 B04G 99.3(9) . . . . ?
B03L B043 B04D B04C 34.6(8) . . . . ?
B03L B043 B04D B04G 138.3(9) . . . . ?
B03L B043 B04D B04J 100.3(10) . . . . ?
B03L B043 B04G B041 100.4(8) . . . . ?
B03L B043 B04G B045 63.3(10) . . . . ?
B03L B043 B04G B04D -36.4(7) . . . . ?
B03L B043 B04G B04J -0.7(9) . . . . ?
B03L B04C B04D B043 -34.7(8) . . . . ?
B03L B04C B04D B04G -98.9(10) . . . . ?
B03L B04C B04D B04J -138.7(8) . . . . ?
B03L B04C B04J B045 -62.4(11) . . . . ?
B03L B04C B04J B047 -101.6(8) . . . . ?
B03L B04C B04J B04D 37.3(7) . . . . ?
B03L B04C B04J B04G -0.4(9) . . . . ?
B03L B04D B04G B041 -2.7(14) . . . . ?
B03L B04D B04G B043 37.0(8) . . . . ?
B03L B04D B04G B045 -65.6(12) . . . . ?
B03L B04D B04G B04J -102.4(9) . . . . ?
B03L B04D B04J B045 64.4(11) . . . . ?
B03L B04D B04J B047 -0.1(12) . . . . ?
B03L B04D B04J B04C -36.7(7) . . . . ?
B03L B04D B04J B04G 100.5(9) . . . . ?
B03M C01Y B026 Ir02 -170.4(5) . . . . ?
B03M C01Y B026 C00N 98.6(6) . . . . ?
B03M C01Y B026 B01G 64.7(6) . . . . ?
B03M C01Y B026 B02V 2.6(7) . . . . ?
B03M C01Y B026 B02X -36.8(6) . . . . ?
B03M C01Y B02S C00N -136.7(6) . . . . ?
B03M C01Y B02S B02I -102.6(6) . . . . ?
B03M C01Y B02S B03V -40.0(6) . . . . ?
B03M C01Y B02X B026 142.4(6) . . . . ?
B03M C01Y B02X B02V 101.8(6) . . . . ?
B03M C01Y B02X B03X 39.1(6) . . . . ?
B03M B02S B03V B02I -136.1(6) . . . . ?
B03M B02S B03V B03G -100.3(6) . . . . ?
B03M B02S B03V B03X -37.1(6) . . . . ?
B03M B02X B03X B02V 138.9(6) . . . . ?
B03M B02X B03X B03G 102.1(6) . . . . ?
B03M B02X B03X B03V 38.0(6) . . . . ?
B03M B03V B03X B02V -101.7(6) . . . . ?
B03M B03V B03X B02X -38.2(6) . . . . ?
B03M B03V B03X B03G -139.0(6) . . . . ?
B03N C01E C01F S00B 48.8(8) . . . . ?
B03N C01E C01F N00G -133.1(7) . . . . ?
B03N C01E B035 C00T -137.0(6) . . . . ?
B03N C01E B035 B036 -101.8(6) . . . . ?
B03N C01E B035 B03O -39.7(5) . . . . ?
B03N C01E B040 C00T 100.4(6) . . . . ?
B03N C01E B040 B038 65.2(7) . . . . ?
B03N C01E B040 B03Z 3.0(8) . . . . ?
B03N C01E B040 B044 -36.8(6) . . . . ?
B03N C01E B044 B03B 39.3(6) . . . . ?
B03N C01E B044 B03Z 102.0(7) . . . . ?
B03N C01E B044 B040 142.1(6) . . . . ?
B03N B035 B036 C00T -95.6(6) . . . . ?
B03N B035 B036 B038 -63.4(7) . . . . ?
B03N B035 B036 B03O 37.9(6) . . . . ?
B03N B035 B036 B03S 0.0(8) . . . . ?
B03N B035 B03O B036 -137.6(6) . . . . ?
B03N B035 B03O B03B -36.8(5) . . . . ?
B03N B035 B03O B03S -100.4(7) . . . . ?
B03N B03B B03O B035 37.6(5) . . . . ?
B03N B03B B03O B036 101.5(6) . . . . ?
B03N B03B B03O B03S 138.8(6) . . . . ?
B03N B03B B03S B036 0.3(9) . . . . ?
B03N B03B B03S B038 63.8(8) . . . . ?
B03N B03B B03S B03O -36.9(6) . . . . ?
B03N B03B B03S B03Z 101.4(7) . . . . ?
B03N B03B B03Z B038 -63.7(8) . . . . ?
B03N B03B B03Z B03S -100.6(7) . . . . ?
B03N B03B B03Z B040 0.5(9) . . . . ?
B03N B03B B03Z B044 37.9(6) . . . . ?
B03N B03B B044 C01E -38.9(5) . . . . ?
B03N B03B B044 B03Z -138.1(6) . . . . ?
B03N B03B B044 B040 -101.5(6) . . . . ?
B03N B03O B03S B036 -101.7(6) . . . . ?
B03N B03O B03S B038 -64.4(8) . . . . ?
B03N B03O B03S B03B 36.3(6) . . . . ?
B03N B03O B03S B03Z -0.5(8) . . . . ?
B03O B035 B036 C00T -133.5(6) . . . . ?
B03O B035 B036 B038 -101.3(7) . . . . ?
B03O B035 B036 B03S -37.9(6) . . . . ?
B03O B035 B03N C01E 134.7(6) . . . . ?
B03O B035 B03N B03B 38.0(6) . . . . ?
B03O B035 B03N B044 101.3(7) . . . . ?
B03O B036 B038 C00T -95.6(6) . . . . ?
B03O B036 B038 B03S 38.0(6) . . . . ?
B03O B036 B038 B03Z -0.3(8) . . . . ?
B03O B036 B038 B040 -63.0(7) . . . . ?
B03O B036 B03S B038 -138.2(7) . . . . ?
B03O B036 B03S B03B -37.5(6) . . . . ?
B03O B036 B03S B03Z -100.0(7) . . . . ?
B03O B03B B03N C01E -99.0(6) . . . . ?
B03O B03B B03N B035 -37.1(6) . . . . ?
B03O B03B B03N B044 -137.9(6) . . . . ?
B03O B03B B03S B036 37.2(6) . . . . ?
B03O B03B B03S B038 100.7(7) . . . . ?
B03O B03B B03S B03Z 138.3(6) . . . . ?
B03O B03B B03Z B038 -0.2(8) . . . . ?
B03O B03B B03Z B03S -37.1(6) . . . . ?
B03O B03B B03Z B040 64.0(8) . . . . ?
B03O B03B B03Z B044 101.4(6) . . . . ?
B03O B03B B044 C01E -1.2(8) . . . . ?
B03O B03B B044 B03N 37.7(6) . . . . ?
B03O B03B B044 B03Z -100.4(6) . . . . ?
B03O B03B B044 B040 -63.8(7) . . . . ?
B03O B03N B044 C01E 96.4(6) . . . . ?
B03O B03N B044 B03B -38.3(5) . . . . ?
B03O B03N B044 B03Z -0.7(7) . . . . ?
B03O B03N B044 B040 62.3(7) . . . . ?
B03O B03S B03Z B038 -100.9(6) . . . . ?
B03O B03S B03Z B03B 37.2(6) . . . . ?
B03O B03S B03Z B040 -64.5(8) . . . . ?
B03O B03S B03Z B044 0.1(8) . . . . ?
B03P C01L C021 S00A 127.4(6) . . . . ?
B03P C01L C021 N00I -54.1(8) . . . . ?
B03P C01L C029 B03L -40.4(7) . . . . ?
B03P C01L C029 B047 -147.3(7) . . . . ?
B03P C01L C029 B04C -108.7(8) . . . . ?
B03P C01L B041 B043 39.4(8) . . . . ?
B03P C01L B041 B045 142.3(7) . . . . ?
B03P C01L B041 B04G 101.6(8) . . . . ?
B03P C01L B045 B041 -35.8(7) . . . . ?
B03P C01L B045 B047 107.1(7) . . . . ?
B03P C01L B045 B04G 5.2(10) . . . . ?
B03P C01L B045 B04J 68.6(11) . . . . ?
B03P C01L B047 C029 31.3(6) . . . . ?
B03P C01L B047 B045 -104.7(7) . . . . ?
B03P C01L B047 B04C -3.4(9) . . . . ?
B03P C01L B047 B04J -66.0(9) . . . . ?
B03P C029 B03L B043 -38.3(8) . . . . ?
B03P C029 B03L B04C -143.5(8) . . . . ?
B03P C029 B03L B04D -102.1(8) . . . . ?
B03P C029 B047 C01L -32.1(6) . . . . ?
B03P C029 B047 B045 4.8(8) . . . . ?
B03P C029 B047 B04C 107.4(8) . . . . ?
B03P C029 B047 B04J 66.1(9) . . . . ?
B03P C029 B04C B03L 36.5(7) . . . . ?
B03P C029 B04C B047 -107.1(8) . . . . ?
B03P C029 B04C B04D -5.4(10) . . . . ?
B03P C029 B04C B04J -65.9(10) . . . . ?
B03P B03L B043 B041 -39.0(8) . . . . ?
B03P B03L B043 B04D -136.3(9) . . . . ?
B03P B03L B043 B04G -100.3(8) . . . . ?
B03P B03L B04C C029 -32.7(6) . . . . ?
B03P B03L B04C B047 -0.1(10) . . . . ?
B03P B03L B04C B04D 99.5(8) . . . . ?
B03P B03L B04C B04J 63.3(9) . . . . ?
B03P B03L B04D B043 38.5(7) . . . . ?
B03P B03L B04D B04C -102.6(8) . . . . ?
B03P B03L B04D B04G 1.1(12) . . . . ?
B03P B03L B04D B04J -64.7(11) . . . . ?
B03P B041 B043 B03L 39.7(8) . . . . ?
B03P B041 B043 B04D 101.3(8) . . . . ?
B03P B041 B043 B04G 138.2(9) . . . . ?
B03P B041 B045 C01L 33.7(6) . . . . ?
B03P B041 B045 B047 0.8(9) . . . . ?
B03P B041 B045 B04G -99.7(8) . . . . ?
B03P B041 B045 B04J -62.3(9) . . . . ?
B03P B041 B04G B043 -36.6(8) . . . . ?
B03P B041 B04G B045 101.8(8) . . . . ?
B03P B041 B04G B04D 3.2(14) . . . . ?
B03P B041 B04G B04J 65.1(12) . . . . ?
B03P B043 B04D B03L -39.1(7) . . . . ?
B03P B043 B04D B04C -4.5(11) . . . . ?
B03P B043 B04D B04G 99.1(9) . . . . ?
B03P B043 B04D B04J 61.2(11) . . . . ?
B03P B043 B04G B041 36.7(7) . . . . ?
B03P B043 B04G B045 -0.4(11) . . . . ?
B03P B043 B04G B04D -100.1(8) . . . . ?
B03P B043 B04G B04J -64.3(9) . . . . ?
C03Q C037 C03I Ir06 59.4(6) . . . . ?
C03Q C037 C03I C039 -2.6(9) . . . . ?
C03Q C037 C03I C042 -176.9(8) . . . . ?
C03R C020 C025 Ir03 118.9(7) . . . . ?
C03R C020 C025 C024 -179.2(7) . . . . ?
C03R C020 C025 C02Y -2.0(12) . . . . ?
B03S B036 B038 C00T -133.5(6) . . . . ?
B03S B036 B038 B03Z -38.3(6) . . . . ?
B03S B036 B038 B040 -100.9(7) . . . . ?
B03S B036 B03O B035 138.2(7) . . . . ?
B03S B036 B03O B03B 37.6(6) . . . . ?
B03S B036 B03O B03N 99.8(7) . . . . ?
B03S B038 B03Z B03B -37.7(6) . . . . ?
B03S B038 B03Z B040 -139.7(6) . . . . ?
B03S B038 B03Z B044 -100.8(8) . . . . ?
B03S B038 B040 C00T -96.5(6) . . . . ?
B03S B038 B040 C01E -61.5(7) . . . . ?
B03S B038 B040 B03Z 36.4(6) . . . . ?
B03S B038 B040 B044 -1.6(7) . . . . ?
B03S B03B B03N C01E -62.3(8) . . . . ?
B03S B03B B03N B035 -0.4(9) . . . . ?
B03S B03B B03N B03O 36.8(6) . . . . ?
B03S B03B B03N B044 -101.1(7) . . . . ?
B03S B03B B03O B035 -101.2(6) . . . . ?
B03S B03B B03O B036 -37.2(6) . . . . ?
B03S B03B B03O B03N -138.8(6) . . . . ?
B03S B03B B03Z B038 36.9(6) . . . . ?
B03S B03B B03Z B040 101.1(7) . . . . ?
B03S B03B B03Z B044 138.5(6) . . . . ?
B03S B03B B044 C01E 62.1(7) . . . . ?
B03S B03B B044 B03N 101.0(7) . . . . ?
B03S B03B B044 B03Z -37.2(6) . . . . ?
B03S B03B B044 B040 -0.5(8) . . . . ?
B03S B03Z B040 C00T 3.7(8) . . . . ?
B03S B03Z B040 C01E 62.5(7) . . . . ?
B03S B03Z B040 B038 -35.7(6) . . . . ?
B03S B03Z B040 B044 101.4(7) . . . . ?
B03S B03Z B044 C01E -61.0(8) . . . . ?
B03S B03Z B044 B03B 37.6(6) . . . . ?
B03S B03Z B044 B03N 0.4(8) . . . . ?
B03S B03Z B044 B040 -101.2(7) . . . . ?
B03T B030 B03C B02F -139.0(6) . . . . ?
B03T B030 B03C B02W -99.3(6) . . . . ?
B03T B030 B03C B03H -36.3(5) . . . . ?
B03T B030 B03E C02P 98.5(6) . . . . ?
B03T B030 B03E B02R 139.8(6) . . . . ?
B03T B030 B03E B03U 36.7(5) . . . . ?
B03T B03C B03H B02W -136.3(6) . . . . ?
B03T B03C B03H B03J -99.5(6) . . . . ?
B03T B03C B03H B03U -36.4(5) . . . . ?
B03T B03E B03U C02P 136.0(6) . . . . ?
B03T B03E B03U B03H 38.2(5) . . . . ?
B03T B03E B03U B03J 101.4(7) . . . . ?
B03T B03H B03J C012 -61.3(7) . . . . ?
B03T B03H B03J C02P -2.4(8) . . . . ?
B03T B03H B03J B02W -99.8(6) . . . . ?
B03T B03H B03J B03U 36.8(6) . . . . ?
B03T B03H B03U C02P -98.0(6) . . . . ?
B03T B03H B03U B03E -37.4(5) . . . . ?
B03T B03H B03U B03J -138.0(6) . . . . ?
B03U C02P B02R Ir01 170.4(5) . . . . ?
B03U C02P B02R C012 -97.7(6) . . . . ?
B03U C02P B02R B02F -64.0(6) . . . . ?
B03U C02P B02R B030 -2.4(7) . . . . ?
B03U C02P B02R B03E 37.3(6) . . . . ?
B03U C02P B03E B02R -142.0(6) . . . . ?
B03U C02P B03E B030 -101.2(6) . . . . ?
B03U C02P B03E B03T -38.1(6) . . . . ?
B03U C02P B03J C012 136.4(6) . . . . ?
B03U C02P B03J B02W 102.7(6) . . . . ?
B03U C02P B03J B03H 40.0(6) . . . . ?
B03U B03E B03T B030 -138.4(6) . . . . ?
B03U B03E B03T B03C -100.9(6) . . . . ?
B03U B03E B03T B03H -37.5(6) . . . . ?
B03U B03H B03J C012 -98.0(6) . . . . ?
B03U B03H B03J C02P -39.2(5) . . . . ?
B03U B03H B03J B02W -136.6(6) . . . . ?
B03U B03H B03T B030 102.0(6) . . . . ?
B03U B03H B03T B03C 138.8(5) . . . . ?
B03U B03H B03T B03E 38.3(6) . . . . ?
B03V B02I B02S C00N 133.7(5) . . . . ?
B03V B02I B02S C01Y 99.9(6) . . . . ?
B03V B02I B02S B03M 39.3(5) . . . . ?
B03V B02I B03G B01G -139.4(6) . . . . ?
B03V B02I B03G B02V -100.8(6) . . . . ?
B03V B02I B03G B03X -38.3(5) . . . . ?
B03V B02S B03M C01Y 134.6(6) . . . . ?
B03V B02S B03M B02X 100.9(7) . . . . ?
B03V B02S B03M B03X 37.7(6) . . . . ?
B03V B03G B03X B02V -138.4(6) . . . . ?
B03V B03G B03X B02X -101.6(7) . . . . ?
B03V B03G B03X B03M -37.0(5) . . . . ?
B03V B03M B03X B02V 100.9(6) . . . . ?
B03V B03M B03X B02X 137.8(5) . . . . ?
B03V B03M B03X B03G 37.1(5) . . . . ?
C03W C01C C01K Ir03 -123.5(7) . . . . ?
C03W C01C C01K C024 177.8(7) . . . . ?
C03W C01C C01K C031 3.7(11) . . . . ?
C03W C01C C020 Ir03 122.2(7) . . . . ?
C03W C01C C020 C025 -176.4(7) . . . . ?
C03W C01C C020 C03R 3.1(11) . . . . ?
B03X B02V B02X C01Y -98.6(6) . . . . ?
B03X B02V B02X B026 -139.8(6) . . . . ?
B03X B02V B02X B03M -36.5(5) . . . . ?
B03X B02V B03G B01G 138.4(6) . . . . ?
B03X B02V B03G B02I 99.7(7) . . . . ?
B03X B02V B03G B03V 36.9(5) . . . . ?
B03X B02X B03M C01Y -134.9(6) . . . . ?
B03X B02X B03M B02S -100.3(7) . . . . ?
B03X B02X B03M B03V -38.1(5) . . . . ?
B03X B03G B03V B02I 136.5(6) . . . . ?
B03X B03G B03V B02S 100.2(6) . . . . ?
B03X B03G B03V B03M 36.2(5) . . . . ?
B03X B03M B03V B02I -98.7(6) . . . . ?
B03X B03M B03V B02S -138.0(6) . . . . ?
B03X B03M B03V B03G -36.5(5) . . . . ?
C03Y C039 C03I Ir06 -62.7(6) . . . . ?
C03Y C039 C03I C037 1.2(9) . . . . ?
C03Y C039 C03I C042 175.6(8) . . . . ?
B03Z B038 B03S B036 137.5(7) . . . . ?
B03Z B038 B03S B03B 37.1(6) . . . . ?
B03Z B038 B03S B03O 100.4(7) . . . . ?
B03Z B038 B040 C00T -132.9(6) . . . . ?
B03Z B038 B040 C01E -97.9(6) . . . . ?
B03Z B038 B040 B044 -38.0(6) . . . . ?
B03Z B03B B03N C01E 1.3(8) . . . . ?
B03Z B03B B03N B035 63.2(8) . . . . ?
B03Z B03B B03N B03O 100.3(7) . . . . ?
B03Z B03B B03N B044 -37.6(6) . . . . ?
B03Z B03B B03O B035 -63.9(7) . . . . ?
B03Z B03B B03O B036 0.0(8) . . . . ?
B03Z B03B B03O B03N -101.5(7) . . . . ?
B03Z B03B B03O B03S 37.3(6) . . . . ?
B03Z B03B B03S B036 -101.1(7) . . . . ?
B03Z B03B B03S B038 -37.6(6) . . . . ?
B03Z B03B B03S B03O -138.3(6) . . . . ?
B03Z B03B B044 C01E 99.2(6) . . . . ?
B03Z B03B B044 B03N 138.1(6) . . . . ?
B03Z B03B B044 B040 36.7(6) . . . . ?
B03Z B040 B044 C01E -133.8(7) . . . . ?
B03Z B040 B044 B03B -37.1(6) . . . . ?
B03Z B040 B044 B03N -100.2(7) . . . . ?
B040 C00T C01E C01F 105.8(6) . . . . ?
B040 C00T C01E B035 -147.5(6) . . . . ?
B040 C00T C01E B03N -107.3(6) . . . . ?
B040 C00T C01E B044 -39.8(6) . . . . ?
B040 C00T B035 C01E 31.9(5) . . . . ?
B040 C00T B035 B036 -107.2(7) . . . . ?
B040 C00T B035 B03N -4.7(8) . . . . ?
B040 C00T B035 B03O -66.9(7) . . . . ?
B040 C00T B036 B035 107.2(6) . . . . ?
B040 C00T B036 B038 -36.3(6) . . . . ?
B040 C00T B036 B03O 67.0(7) . . . . ?
B040 C00T B036 B03S 3.9(7) . . . . ?
B040 C00T B038 B036 143.5(6) . . . . ?
B040 C00T B038 B03S 103.0(7) . . . . ?
B040 C00T B038 B03Z 40.3(6) . . . . ?
B040 C01E C01F S00B -101.0(5) . . . . ?
B040 C01E C01F N00G 77.0(7) . . . . ?
B040 C01E B035 C00T -30.8(5) . . . . ?
B040 C01E B035 B036 4.4(7) . . . . ?
B040 C01E B035 B03N 106.2(6) . . . . ?
B040 C01E B035 B03O 66.6(6) . . . . ?
B040 C01E B03N B035 -105.4(6) . . . . ?
B040 C01E B03N B03B -2.7(8) . . . . ?
B040 C01E B03N B03O -66.3(7) . . . . ?
B040 C01E B03N B044 36.7(6) . . . . ?
B040 C01E B044 B03B -102.8(7) . . . . ?
B040 C01E B044 B03N -142.1(6) . . . . ?
B040 C01E B044 B03Z -40.1(6) . . . . ?
B040 B038 B03S B036 101.7(6) . . . . ?
B040 B038 B03S B03B 1.3(8) . . . . ?
B040 B038 B03S B03O 64.6(8) . . . . ?
B040 B038 B03S B03Z -35.8(6) . . . . ?
B040 B038 B03Z B03B 102.0(7) . . . . ?
B040 B038 B03Z B03S 139.7(6) . . . . ?
B040 B038 B03Z B044 38.9(6) . . . . ?
B040 B03Z B044 C01E 40.3(6) . . . . ?
B040 B03Z B044 B03B 138.8(7) . . . . ?
B040 B03Z B044 B03N 101.6(6) . . . . ?
B041 C01L C021 S00A 56.0(9) . . . . ?
B041 C01L C021 N00I -125.5(8) . . . . ?
B041 C01L C029 B03L -1.4(9) . . . . ?
B041 C01L C029 B03P 39.0(7) . . . . ?
B041 C01L C029 B047 -108.3(8) . . . . ?
B041 C01L C029 B04C -69.7(9) . . . . ?
B041 C01L B03P C029 -137.9(7) . . . . ?
B041 C01L B03P B03L -103.2(7) . . . . ?
B041 C01L B03P B043 -41.1(7) . . . . ?
B041 C01L B045 B047 142.9(7) . . . . ?
B041 C01L B045 B04G 41.0(8) . . . . ?
B041 C01L B045 B04J 104.4(10) . . . . ?
B041 C01L B047 C029 100.1(7) . . . . ?
B041 C01L B047 B045 -35.8(7) . . . . ?
B041 C01L B047 B04C 65.5(9) . . . . ?
B041 C01L B047 B04J 2.9(10) . . . . ?
B041 B03P B043 B03L -135.6(9) . . . . ?
B041 B03P B043 B04D -97.3(10) . . . . ?
B041 B03P B043 B04G -36.3(8) . . . . ?
B041 B043 B04D B03L -101.1(8) . . . . ?
B041 B043 B04D B04C -66.5(10) . . . . ?
B041 B043 B04D B04G 37.1(8) . . . . ?
B041 B043 B04D B04J -0.8(11) . . . . ?
B041 B043 B04G B045 -37.1(8) . . . . ?
B041 B043 B04G B04D -136.8(9) . . . . ?
B041 B043 B04G B04J -101.0(9) . . . . ?
B041 B045 B047 C01L 33.5(6) . . . . ?
B041 B045 B047 C029 -3.2(8) . . . . ?
B041 B045 B047 B04C -63.2(8) . . . . ?
B041 B045 B047 B04J -101.9(9) . . . . ?
B041 B045 B04G B043 37.9(8) . . . . ?
B041 B045 B04G B04D 103.2(10) . . . . ?
B041 B045 B04G B04J 139.1(8) . . . . ?
B041 B045 B04J B047 101.0(8) . . . . ?
B041 B045 B04J B04C 62.5(12) . . . . ?
B041 B045 B04J B04D -0.6(11) . . . . ?
B041 B045 B04J B04G -37.1(8) . . . . ?
B041 B04G B04J B045 36.4(8) . . . . ?
B041 B04G B04J B047 -1.6(12) . . . . ?
B041 B04G B04J B04C -64.4(10) . . . . ?
B041 B04G B04J B04D -102.3(10) . . . . ?
B043 B03L B03P C01L 101.3(8) . . . . ?
B043 B03L B03P C029 135.9(9) . . . . ?
B043 B03L B03P B041 40.3(9) . . . . ?
B043 B03L B04C C029 -96.0(7) . . . . ?
B043 B03L B04C B047 -63.4(9) . . . . ?
B043 B03L B04C B04D 36.2(7) . . . . ?
B043 B03L B04C B04J 0.0(9) . . . . ?
B043 B03L B04D B04C -141.0(8) . . . . ?
B043 B03L B04D B04G -37.3(9) . . . . ?
B043 B03L B04D B04J -103.2(10) . . . . ?
B043 B03P B041 C01L 134.2(8) . . . . ?
B043 B03P B041 B045 100.8(8) . . . . ?
B043 B03P B041 B04G 37.2(9) . . . . ?
B043 B041 B045 C01L 96.1(7) . . . . ?
B043 B041 B045 B047 63.3(8) . . . . ?
B043 B041 B045 B04G -37.3(7) . . . . ?
B043 B041 B045 B04J 0.1(10) . . . . ?
B043 B041 B04G B045 138.5(8) . . . . ?
B043 B041 B04G B04D 39.8(9) . . . . ?
B043 B041 B04G B04J 101.8(9) . . . . ?
B043 B04D B04G B041 -39.7(9) . . . . ?
B043 B04D B04G B045 -102.6(9) . . . . ?
B043 B04D B04G B04J -139.4(8) . . . . ?
B043 B04D B04J B045 0.9(12) . . . . ?
B043 B04D B04J B047 -63.5(12) . . . . ?
B043 B04D B04J B04C -100.2(9) . . . . ?
B043 B04D B04J B04G 37.1(8) . . . . ?
B043 B04G B04J B045 101.5(8) . . . . ?
B043 B04G B04J B047 63.5(10) . . . . ?
B043 B04G B04J B04C 0.7(10) . . . . ?
B043 B04G B04J B04D -37.2(7) . . . . ?
B044 C01E C01F S00B -28.5(8) . . . . ?
B044 C01E C01F N00G 149.6(6) . . . . ?
B044 C01E B035 C00T -100.2(6) . . . . ?
B044 C01E B035 B036 -65.0(7) . . . . ?
B044 C01E B035 B03N 36.9(6) . . . . ?
B044 C01E B035 B03O -2.8(7) . . . . ?
B044 C01E B03N B035 -142.2(6) . . . . ?
B044 C01E B03N B03B -39.5(6) . . . . ?
B044 C01E B03N B03O -103.0(7) . . . . ?
B044 C01E B040 C00T 137.3(6) . . . . ?
B044 C01E B040 B038 102.1(6) . . . . ?
B044 C01E B040 B03Z 39.8(6) . . . . ?
B044 B03B B03N C01E 38.9(5) . . . . ?
B044 B03B B03N B035 100.8(6) . . . . ?
B044 B03B B03N B03O 137.9(6) . . . . ?
B044 B03B B03O B035 -0.4(8) . . . . ?
B044 B03B B03O B036 63.5(7) . . . . ?
B044 B03B B03O B03N -38.0(5) . . . . ?
B044 B03B B03O B03S 100.7(7) . . . . ?
B044 B03B B03S B036 -63.9(8) . . . . ?
B044 B03B B03S B038 -0.5(8) . . . . ?
B044 B03B B03S B03O -101.1(7) . . . . ?
B044 B03B B03S B03Z 37.2(6) . . . . ?
B044 B03B B03Z B038 -101.6(7) . . . . ?
B044 B03B B03Z B03S -138.5(6) . . . . ?
B044 B03B B03Z B040 -37.4(6) . . . . ?
B044 B03N B03O B035 -100.5(6) . . . . ?
B044 B03N B03O B036 -62.1(7) . . . . ?
B044 B03N B03O B03B 37.7(5) . . . . ?
B044 B03N B03O B03S 0.8(7) . . . . ?
B044 B03Z B040 C00T -97.6(6) . . . . ?
B044 B03Z B040 C01E -38.8(6) . . . . ?
B044 B03Z B040 B038 -137.0(7) . . . . ?
B045 C01L C021 S00A -18.4(10) . . . . ?
B045 C01L C021 N00I 160.1(8) . . . . ?
B045 C01L C029 B03L 64.8(10) . . . . ?
B045 C01L C029 B03P 105.1(8) . . . . ?
B045 C01L C029 B047 -42.1(8) . . . . ?
B045 C01L C029 B04C -3.5(10) . . . . ?
B045 C01L B03P C029 -102.3(7) . . . . ?
B045 C01L B03P B03L -67.6(8) . . . . ?
B045 C01L B03P B041 35.6(7) . . . . ?
B045 C01L B03P B043 -5.4(9) . . . . ?
B045 C01L B041 B03P -142.3(7) . . . . ?
B045 C01L B041 B043 -102.9(9) . . . . ?
B045 C01L B041 B04G -40.7(8) . . . . ?
B045 C01L B047 C029 135.9(7) . . . . ?
B045 C01L B047 B04C 101.3(8) . . . . ?
B045 C01L B047 B04J 38.6(7) . . . . ?
B045 B041 B043 B03L -61.2(10) . . . . ?
B045 B041 B043 B03P -100.9(8) . . . . ?
B045 B041 B043 B04D 0.4(10) . . . . ?
B045 B041 B043 B04G 37.3(8) . . . . ?
B045 B041 B04G B043 -138.5(8) . . . . ?
B045 B041 B04G B04D -98.7(11) . . . . ?
B045 B041 B04G B04J -36.7(9) . . . . ?
B045 B047 B04C C029 94.2(7) . . . . ?
B045 B047 B04C B03L 61.9(9) . . . . ?
B045 B047 B04C B04D -2.5(10) . . . . ?
B045 B047 B04C B04J -38.4(9) . . . . ?
B045 B047 B04J B04C 136.6(10) . . . . ?
B045 B047 B04J B04D 99.8(11) . . . . ?
B045 B047 B04J B04G 36.9(9) . . . . ?
B045 B04G B04J B047 -37.9(8) . . . . ?
B045 B04G B04J B04C -100.8(8) . . . . ?
B045 B04G B04J B04D -138.7(8) . . . . ?
B046 C028 C02Z B049 41.2(8) . . . . ?
B046 C028 C02Z B04E -105.2(8) . . . . ?
B046 C028 C02Z B04F 2.5(10) . . . . ?
B046 C028 C02Z B04I -66.1(9) . . . . ?
B046 C028 B049 C02Z -137.4(8) . . . . ?
B046 C028 B049 B04B -39.2(8) . . . . ?
B046 C028 B049 B04F -102.4(9) . . . . ?
B046 C028 B04A B04E 143.0(7) . . . . ?
B046 C028 B04A B04K 41.6(8) . . . . ?
B046 C028 B04A B04L 103.8(8) . . . . ?
B046 C028 B04E C02Z 102.3(7) . . . . ?
B046 C028 B04E B04A -35.3(7) . . . . ?
B046 C028 B04E B04I 66.5(9) . . . . ?
B046 C028 B04E B04L 4.7(9) . . . . ?
B046 B049 B04B B04F -138.6(8) . . . . ?
B046 B049 B04B B04K -39.3(9) . . . . ?
B046 B049 B04B B04N -103.2(9) . . . . ?
B046 B049 B04F C02Z -94.5(7) . . . . ?
B046 B049 B04F B04B 36.6(7) . . . . ?
B046 B049 B04F B04I -61.4(10) . . . . ?
B046 B049 B04F B04N 1.6(10) . . . . ?
B046 B04A B04E C028 33.5(6) . . . . ?
B046 B04A B04E C02Z -2.4(9) . . . . ?
B046 B04A B04E B04I -64.6(9) . . . . ?
B046 B04A B04E B04L -101.7(8) . . . . ?
B046 B04A B04K B04B 38.6(9) . . . . ?
B046 B04A B04K B04L 140.7(8) . . . . ?
B046 B04A B04K B04N 103.4(9) . . . . ?
B046 B04A B04L B04E 102.4(8) . . . . ?
B046 B04A B04L B04I 64.4(10) . . . . ?
B046 B04A B04L B04K -36.2(7) . . . . ?
B046 B04A B04L B04N 0.8(10) . . . . ?
B046 B04B B04F C02Z 4.1(11) . . . . ?
B046 B04B B04F B049 -37.8(8) . . . . ?
B046 B04B B04F B04I 66.4(10) . . . . ?
B046 B04B B04F B04N 103.0(9) . . . . ?
B046 B04B B04K B04A -37.9(8) . . . . ?
B046 B04B B04K B04L -102.9(8) . . . . ?
B046 B04B B04K B04N -140.5(8) . . . . ?
B046 B04B B04N B04F -100.2(8) . . . . ?
B046 B04B B04N B04I -63.0(11) . . . . ?
B046 B04B B04N B04K 36.1(8) . . . . ?
B046 B04B B04N B04L -0.6(11) . . . . ?
B046 B04K B04L B04A 35.6(7) . . . . ?
B046 B04K B04L B04E -0.8(11) . . . . ?
B046 B04K B04L B04I -65.2(10) . . . . ?
B046 B04K B04L B04N -103.2(9) . . . . ?
B046 B04K B04N B04B -36.7(7) . . . . ?
B046 B04K B04N B04F 2.2(11) . . . . ?
B046 B04K B04N B04I 64.4(11) . . . . ?
B046 B04K B04N B04L 101.7(8) . . . . ?
B047 C01L C021 S00A -93.6(7) . . . . ?
B047 C01L C021 N00I 84.8(8) . . . . ?
B047 C01L C029 B03L 106.9(8) . . . . ?
B047 C01L C029 B03P 147.3(7) . . . . ?
B047 C01L C029 B04C 38.6(8) . . . . ?
B047 C01L B03P C029 -31.4(6) . . . . ?
B047 C01L B03P B03L 3.3(9) . . . . ?
B047 C01L B03P B041 106.5(7) . . . . ?
B047 C01L B03P B043 65.4(8) . . . . ?
B047 C01L B041 B03P -105.5(7) . . . . ?
B047 C01L B041 B043 -66.1(10) . . . . ?
B047 C01L B041 B045 36.8(7) . . . . ?
B047 C01L B041 B04G -3.8(10) . . . . ?
B047 C01L B045 B041 -142.9(7) . . . . ?
B047 C01L B045 B04G -101.9(8) . . . . ?
B047 C01L B045 B04J -38.5(9) . . . . ?
B047 C029 B03L B03P 107.8(8) . . . . ?
B047 C029 B03L B043 69.5(10) . . . . ?
B047 C029 B03L B04C -35.7(7) . . . . ?
B047 C029 B03L B04D 5.7(9) . . . . ?
B047 C029 B03P C01L 31.9(6) . . . . ?
B047 C029 B03P B03L -106.7(8) . . . . ?
B047 C029 B03P B041 -4.3(9) . . . . ?
B047 C029 B03P B043 -68.2(9) . . . . ?
B047 C029 B04C B03L 143.5(8) . . . . ?
B047 C029 B04C B04D 101.6(9) . . . . ?
B047 C029 B04C B04J 41.1(9) . . . . ?
B047 B045 B04G B041 -102.0(8) . . . . ?
B047 B045 B04G B043 -64.0(11) . . . . ?
B047 B045 B04G B04D 1.2(12) . . . . ?
B047 B045 B04G B04J 37.1(8) . . . . ?
B047 B045 B04J B04C -38.5(9) . . . . ?
B047 B045 B04J B04D -101.6(10) . . . . ?
B047 B045 B04J B04G -138.1(9) . . . . ?
B047 B04C B04D B03L 102.2(8) . . . . ?
B047 B04C B04D B043 67.4(10) . . . . ?
B047 B04C B04D B04G 3.3(12) . . . . ?
B047 B04C B04D B04J -36.5(8) . . . . ?
B047 B04C B04J B045 39.2(9) . . . . ?
B047 B04C B04J B04D 138.9(9) . . . . ?
B047 B04C B04J B04G 101.1(8) . . . . ?
C048 C037 C03I Ir06 -127.6(8) . . . . ?
C048 C037 C03I C039 170.4(7) . . . . ?
C048 C037 C03I C042 -3.9(13) . . . . ?
C048 C037 C03Q Ir06 128.0(8) . . . . ?
C048 C037 C03Q C03Y -170.1(8) . . . . ?
C048 C037 C03Q C04O 5.0(14) . . . . ?
B049 C028 C02Z B04E -146.4(7) . . . . ?
B049 C028 C02Z B04F -38.7(7) . . . . ?
B049 C028 C02Z B04I -107.3(8) . . . . ?
B049 C028 B046 B04A 139.7(8) . . . . ?
B049 C028 B046 B04B 39.5(8) . . . . ?
B049 C028 B046 B04K 99.6(8) . . . . ?
B049 C028 B04A B046 -39.9(8) . . . . ?
B049 C028 B04A B04E 103.1(8) . . . . ?
B049 C028 B04A B04K 1.7(11) . . . . ?
B049 C028 B04A B04L 63.9(10) . . . . ?
B049 C028 B04E C02Z 31.3(7) . . . . ?
B049 C028 B04E B04A -106.3(7) . . . . ?
B049 C028 B04E B04I -4.5(9) . . . . ?
B049 C028 B04E B04L -66.3(9) . . . . ?
B049 C02Z B04E C028 -33.1(7) . . . . ?
B049 C02Z B04E B04A 3.3(9) . . . . ?
B049 C02Z B04E B04I 106.2(9) . . . . ?
B049 C02Z B04E B04L 66.9(10) . . . . ?
B049 C02Z B04F B04B -42.7(8) . . . . ?
B049 C02Z B04F B04I -143.6(8) . . . . ?
B049 C02Z B04F B04N -103.8(9) . . . . ?
B049 C02Z B04I B04E -107.8(8) . . . . ?
B049 C02Z B04I B04F 35.5(8) . . . . ?
B049 C02Z B04I B04L -68.5(9) . . . . ?
B049 C02Z B04I B04N -5.7(10) . . . . ?
B049 B046 B04A C028 34.7(6) . . . . ?
B049 B046 B04A B04E 0.9(9) . . . . ?
B049 B046 B04A B04K -98.4(8) . . . . ?
B049 B046 B04A B04L -62.9(9) . . . . ?
B049 B046 B04B B04F 36.2(8) . . . . ?
B049 B046 B04B B04K 136.5(9) . . . . ?
B049 B046 B04B B04N 100.5(9) . . . . ?
B049 B046 B04K B04A 99.7(7) . . . . ?
B049 B046 B04K B04B -37.8(7) . . . . ?
B049 B046 B04K B04L 63.4(9) . . . . ?
B049 B046 B04K B04N -1.3(10) . . . . ?
B049 B04B B04F C02Z 41.9(7) . . . . ?
B049 B04B B04F B04I 104.1(7) . . . . ?
B049 B04B B04F B04N 140.7(8) . . . . ?
B049 B04B B04K B046 39.9(8) . . . . ?
B049 B04B B04K B04A 2.0(13) . . . . ?
B049 B04B B04K B04L -63.1(11) . . . . ?
B049 B04B B04K B04N -100.6(10) . . . . ?
B049 B04B B04N B04F -34.4(7) . . . . ?
B049 B04B B04N B04I 2.7(11) . . . . ?
B049 B04B B04N B04K 101.8(8) . . . . ?
B049 B04B B04N B04L 65.1(10) . . . . ?
B049 B04F B04I C02Z -32.8(7) . . . . ?
B049 B04F B04I B04E -1.1(11) . . . . ?
B049 B04F B04I B04L 61.9(10) . . . . ?
B049 B04F B04I B04N 100.9(9) . . . . ?
B049 B04F B04N B04B 35.8(7) . . . . ?
B049 B04F B04N B04I -102.3(8) . . . . ?
B049 B04F B04N B04K -2.3(11) . . . . ?
B049 B04F B04N B04L -64.6(12) . . . . ?
B04A C028 C02Z B049 107.7(7) . . . . ?
B04A C028 C02Z B04E -38.7(7) . . . . ?
B04A C028 C02Z B04F 69.0(8) . . . . ?
B04A C028 C02Z B04I 0.4(9) . . . . ?
B04A C028 B046 B049 -139.7(8) . . . . ?
B04A C028 B046 B04B -100.2(9) . . . . ?
B04A C028 B046 B04K -40.1(7) . . . . ?
B04A C028 B049 C02Z -98.6(8) . . . . ?
B04A C028 B049 B046 38.7(8) . . . . ?
B04A C028 B049 B04B -0.5(11) . . . . ?
B04A C028 B049 B04F -63.6(10) . . . . ?
B04A C028 B04E C02Z 137.6(7) . . . . ?
B04A C028 B04E B04I 101.8(8) . . . . ?
B04A C028 B04E B04L 40.0(7) . . . . ?
B04A B046 B049 C028 -34.9(6) . . . . ?
B04A B046 B049 C02Z 0.9(9) . . . . ?
B04A B046 B049 B04B 99.0(9) . . . . ?
B04A B046 B049 B04F 61.5(9) . . . . ?
B04A B046 B04B B049 -99.4(8) . . . . ?
B04A B046 B04B B04F -63.3(10) . . . . ?
B04A B046 B04B B04K 37.0(7) . . . . ?
B04A B046 B04B B04N 1.1(11) . . . . ?
B04A B046 B04K B04B -137.5(9) . . . . ?
B04A B046 B04K B04L -36.3(8) . . . . ?
B04A B046 B04K B04N -101.0(9) . . . . ?
B04A B04E B04I C02Z 96.4(8) . . . . ?
B04A B04E B04I B04F 64.7(10) . . . . ?
B04A B04E B04I B04L -38.1(8) . . . . ?
B04A B04E B04I B04N -0.1(11) . . . . ?
B04A B04E B04L B04I 138.1(9) . . . . ?
B04A B04E B04L B04K 36.4(8) . . . . ?
B04A B04E B04L B04N 100.1(11) . . . . ?
B04A B04K B04L B04E -36.4(7) . . . . ?
B04A B04K B04L B04I -100.8(8) . . . . ?
B04A B04K B04L B04N -138.9(8) . . . . ?
B04A B04K B04N B04B -100.7(9) . . . . ?
B04A B04K B04N B04F -61.8(11) . . . . ?
B04A B04K B04N B04I 0.4(12) . . . . ?
B04A B04K B04N B04L 37.7(8) . . . . ?
B04A B04L B04N B04B -0.1(11) . . . . ?
B04A B04L B04N B04F 63.3(11) . . . . ?
B04A B04L B04N B04I 101.0(9) . . . . ?
B04A B04L B04N B04K -36.4(8) . . . . ?
B04B B046 B049 C028 -134.0(9) . . . . ?
B04B B046 B049 C02Z -98.1(8) . . . . ?
B04B B046 B049 B04F -37.6(8) . . . . ?
B04B B046 B04A C028 96.6(8) . . . . ?
B04B B046 B04A B04E 62.8(9) . . . . ?
B04B B046 B04A B04K -36.6(8) . . . . ?
B04B B046 B04A B04L -1.1(10) . . . . ?
B04B B046 B04K B04A 137.5(9) . . . . ?
B04B B046 B04K B04L 101.3(9) . . . . ?
B04B B046 B04K B04N 36.5(8) . . . . ?
B04B B049 B04F C02Z -131.1(7) . . . . ?
B04B B049 B04F B04I -98.0(9) . . . . ?
B04B B049 B04F B04N -35.0(7) . . . . ?
B04B B04F B04I C02Z -97.1(8) . . . . ?
B04B B04F B04I B04E -65.3(9) . . . . ?
B04B B04F B04I B04L -2.4(9) . . . . ?
B04B B04F B04I B04N 36.6(8) . . . . ?
B04B B04F B04N B04I -138.1(8) . . . . ?
B04B B04F B04N B04K -38.1(7) . . . . ?
B04B B04F B04N B04L -100.4(10) . . . . ?
B04B B04K B04L B04A 101.0(8) . . . . ?
B04B B04K B04L B04E 64.6(10) . . . . ?
B04B B04K B04L B04I 0.2(10) . . . . ?
B04B B04K B04L B04N -37.9(8) . . . . ?
B04B B04K B04N B04F 38.9(7) . . . . ?
B04B B04K B04N B04I 101.1(9) . . . . ?
B04B B04K B04N B04L 138.4(8) . . . . ?
B04C C029 B03L B03P 143.5(7) . . . . ?
B04C C029 B03L B043 105.2(9) . . . . ?
B04C C029 B03L B04D 41.4(7) . . . . ?
B04C C029 B03P C01L 102.7(7) . . . . ?
B04C C029 B03P B03L -35.9(8) . . . . ?
B04C C029 B03P B041 66.5(8) . . . . ?
B04C C029 B03P B043 2.6(10) . . . . ?
B04C C029 B047 C01L -139.5(7) . . . . ?
B04C C029 B047 B045 -102.6(8) . . . . ?
B04C C029 B047 B04J -41.3(8) . . . . ?
B04C B03L B03P C01L -1.8(9) . . . . ?
B04C B03L B03P C029 32.8(7) . . . . ?
B04C B03L B03P B041 -62.8(9) . . . . ?
B04C B03L B03P B043 -103.1(9) . . . . ?
B04C B03L B043 B03P 100.7(8) . . . . ?
B04C B03L B043 B041 61.6(10) . . . . ?
B04C B03L B043 B04D -35.6(7) . . . . ?
B04C B03L B043 B04G 0.4(9) . . . . ?
B04C B03L B04D B043 141.0(8) . . . . ?
B04C B03L B04D B04G 103.7(10) . . . . ?
B04C B03L B04D B04J 37.8(9) . . . . ?
B04C B047 B04J B045 -136.6(10) . . . . ?
B04C B047 B04J B04D -36.8(8) . . . . ?
B04C B047 B04J B04G -99.7(10) . . . . ?
B04C B04D B04G B041 60.1(14) . . . . ?
B04C B04D B04G B043 99.7(9) . . . . ?
B04C B04D B04G B045 -2.8(13) . . . . ?
B04C B04D B04G B04J -39.6(8) . . . . ?
B04C B04D B04J B045 101.1(8) . . . . ?
B04C B04D B04J B047 36.6(8) . . . . ?
B04C B04D B04J B04G 137.2(8) . . . . ?
B04D B03L B03P C01L 61.7(9) . . . . ?
B04D B03L B03P C029 96.3(9) . . . . ?
B04D B03L B03P B041 0.8(11) . . . . ?
B04D B03L B03P B043 -39.5(9) . . . . ?
B04D B03L B043 B03P 136.3(9) . . . . ?
B04D B03L B043 B041 97.3(10) . . . . ?
B04D B03L B043 B04G 36.0(7) . . . . ?
B04D B03L B04C C029 -132.2(7) . . . . ?
B04D B03L B04C B047 -99.6(8) . . . . ?
B04D B03L B04C B04J -36.2(7) . . . . ?
B04D B043 B04G B041 136.8(9) . . . . ?
B04D B043 B04G B045 99.7(10) . . . . ?
B04D B043 B04G B04J 35.8(7) . . . . ?
B04D B04C B04J B045 -99.7(11) . . . . ?
B04D B04C B04J B047 -138.9(9) . . . . ?
B04D B04C B04J B04G -37.7(7) . . . . ?
B04D B04G B04J B045 138.7(8) . . . . ?
B04D B04G B04J B047 100.8(9) . . . . ?
B04D B04G B04J B04C 37.9(7) . . . . ?
B04E C028 C02Z B049 146.4(7) . . . . ?
B04E C028 C02Z B04F 107.7(8) . . . . ?
B04E C028 C02Z B04I 39.1(7) . . . . ?
B04E C028 B046 B049 -104.7(8) . . . . ?
B04E C028 B046 B04A 35.1(7) . . . . ?
B04E C028 B046 B04B -65.1(9) . . . . ?
B04E C028 B046 B04K -5.0(9) . . . . ?
B04E C028 B049 C02Z -31.2(7) . . . . ?
B04E C028 B049 B046 106.1(8) . . . . ?
B04E C028 B049 B04B 66.9(9) . . . . ?
B04E C028 B049 B04F 3.8(10) . . . . ?
B04E C028 B04A B046 -143.0(7) . . . . ?
B04E C028 B04A B04K -101.4(9) . . . . ?
B04E C028 B04A B04L -39.2(7) . . . . ?
B04E C02Z B049 C028 33.1(7) . . . . ?
B04E C02Z B049 B046 -2.7(10) . . . . ?
B04E C02Z B049 B04B -63.5(9) . . . . ?
B04E C02Z B049 B04F -106.3(8) . . . . ?
B04E C02Z B04F B049 107.6(8) . . . . ?
B04E C02Z B04F B04B 64.9(10) . . . . ?
B04E C02Z B04F B04I -36.0(8) . . . . ?
B04E C02Z B04F B04N 3.8(11) . . . . ?
B04E C02Z B04I B04F 143.3(8) . . . . ?
B04E C02Z B04I B04L 39.4(8) . . . . ?
B04E C02Z B04I B04N 102.1(9) . . . . ?
B04E B04A B04K B046 -103.9(8) . . . . ?
B04E B04A B04K B04B -65.3(11) . . . . ?
B04E B04A B04K B04L 36.8(8) . . . . ?
B04E B04A B04K B04N -0.5(12) . . . . ?
B04E B04A B04L B04I -38.0(8) . . . . ?
B04E B04A B04L B04K -138.5(8) . . . . ?
B04E B04A B04L B04N -101.6(9) . . . . ?
B04E B04I B04L B04A 37.1(8) . . . . ?
B04E B04I B04L B04K 99.7(9) . . . . ?
B04E B04I B04L B04N 137.8(10) . . . . ?
B04E B04I B04N B04B 61.7(10) . . . . ?
B04E B04I B04N B04F 99.3(8) . . . . ?
B04E B04I B04N B04K -0.2(11) . . . . ?
B04E B04I B04N B04L -37.6(8) . . . . ?
B04E B04L B04N B04B -62.7(12) . . . . ?
B04E B04L B04N B04F 0.7(13) . . . . ?
B04E B04L B04N B04I 38.5(9) . . . . ?
B04E B04L B04N B04K -99.0(10) . . . . ?
B04F C02Z B049 C028 139.4(7) . . . . ?
B04F C02Z B049 B046 103.6(8) . . . . ?
B04F C02Z B049 B04B 42.8(7) . . . . ?
B04F C02Z B04E C028 -103.4(8) . . . . ?
B04F C02Z B04E B04A -67.0(9) . . . . ?
B04F C02Z B04E B04I 35.9(8) . . . . ?
B04F C02Z B04E B04L -3.4(11) . . . . ?
B04F C02Z B04I B04E -143.3(8) . . . . ?
B04F C02Z B04I B04L -104.0(9) . . . . ?
B04F C02Z B04I B04N -41.2(7) . . . . ?
B04F B049 B04B B046 138.6(8) . . . . ?
B04F B049 B04B B04K 99.3(10) . . . . ?
B04F B049 B04B B04N 35.4(8) . . . . ?
B04F B04B B04K B046 101.3(8) . . . . ?
B04F B04B B04K B04A 63.4(11) . . . . ?
B04F B04B B04K B04L -1.6(10) . . . . ?
B04F B04B B04K B04N -39.2(7) . . . . ?
B04F B04B B04N B04I 37.1(7) . . . . ?
B04F B04B B04N B04K 136.2(7) . . . . ?
B04F B04B B04N B04L 99.5(8) . . . . ?
B04F B04I B04L B04A -61.2(10) . . . . ?
B04F B04I B04L B04E -98.3(8) . . . . ?
B04F B04I B04L B04K 1.4(10) . . . . ?
B04F B04I B04L B04N 39.5(8) . . . . ?
B04F B04I B04N B04B -37.6(8) . . . . ?
B04F B04I B04N B04K -99.5(10) . . . . ?
B04F B04I B04N B04L -136.9(9) . . . . ?
B04G B041 B043 B03L -98.6(10) . . . . ?
B04G B041 B043 B03P -138.2(9) . . . . ?
B04G B041 B043 B04D -36.9(8) . . . . ?
B04G B041 B045 C01L 133.4(7) . . . . ?
B04G B041 B045 B047 100.5(8) . . . . ?
B04G B041 B045 B04J 37.4(8) . . . . ?
B04G B043 B04D B03L -138.3(9) . . . . ?
B04G B043 B04D B04C -103.7(10) . . . . ?
B04G B043 B04D B04J -38.0(9) . . . . ?
B04G B045 B047 C01L 97.5(9) . . . . ?
B04G B045 B047 C029 60.8(9) . . . . ?
B04G B045 B047 B04C 0.8(11) . . . . ?
B04G B045 B047 B04J -37.9(9) . . . . ?
B04G B045 B04J B047 138.1(9) . . . . ?
B04G B045 B04J B04C 99.6(10) . . . . ?
B04G B045 B04J B04D 36.5(8) . . . . ?
B04G B04D B04J B045 -36.2(8) . . . . ?
B04G B04D B04J B047 -100.6(9) . . . . ?
B04G B04D B04J B04C -137.2(8) . . . . ?
B04I C02Z B049 C028 103.9(7) . . . . ?
B04I C02Z B049 B046 68.0(9) . . . . ?
B04I C02Z B049 B04B 7.2(10) . . . . ?
B04I C02Z B049 B04F -35.5(7) . . . . ?
B04I C02Z B04E C028 -139.3(7) . . . . ?
B04I C02Z B04E B04A -102.9(8) . . . . ?
B04I C02Z B04E B04L -39.3(8) . . . . ?
B04I C02Z B04F B049 143.6(8) . . . . ?
B04I C02Z B04F B04B 100.9(9) . . . . ?
B04I C02Z B04F B04N 39.8(8) . . . . ?
B04I B04E B04L B04A -138.1(9) . . . . ?
B04I B04E B04L B04K -101.6(9) . . . . ?
B04I B04E B04L B04N -38.0(9) . . . . ?
B04I B04F B04N B04B 138.1(8) . . . . ?
B04I B04F B04N B04K 100.0(8) . . . . ?
B04I B04F B04N B04L 37.7(9) . . . . ?
B04I B04L B04N B04B -101.1(9) . . . . ?
B04I B04L B04N B04F -37.7(8) . . . . ?
B04I B04L B04N B04K -137.5(9) . . . . ?
B04J B045 B047 C01L 135.5(9) . . . . ?
B04J B045 B047 C029 98.7(8) . . . . ?
B04J B045 B047 B04C 38.7(8) . . . . ?
B04J B045 B04G B041 -139.1(8) . . . . ?
B04J B045 B04G B043 -101.2(9) . . . . ?
B04J B045 B04G B04D -36.0(9) . . . . ?
B04J B047 B04C C029 132.5(9) . . . . ?
B04J B047 B04C B03L 100.3(10) . . . . ?
B04J B047 B04C B04D 35.9(9) . . . . ?
B04J B04C B04D B03L 138.7(8) . . . . ?
B04J B04C B04D B043 104.0(9) . . . . ?
B04J B04C B04D B04G 39.9(9) . . . . ?
B04J B04D B04G B041 99.7(11) . . . . ?
B04J B04D B04G B043 139.4(8) . . . . ?
B04J B04D B04G B045 36.8(9) . . . . ?
B04K B046 B049 C028 -96.6(8) . . . . ?
B04K B046 B049 C02Z -60.7(8) . . . . ?
B04K B046 B049 B04B 37.3(7) . . . . ?
B04K B046 B049 B04F -0.2(9) . . . . ?
B04K B046 B04A C028 133.2(8) . . . . ?
B04K B046 B04A B04E 99.4(8) . . . . ?
B04K B046 B04A B04L 35.5(8) . . . . ?
B04K B046 B04B B049 -136.5(9) . . . . ?
B04K B046 B04B B04F -100.3(10) . . . . ?
B04K B046 B04B B04N -36.0(8) . . . . ?
B04K B04A B04E C028 98.5(8) . . . . ?
B04K B04A B04E C02Z 62.5(9) . . . . ?
B04K B04A B04E B04I 0.4(10) . . . . ?
B04K B04A B04E B04L -36.8(8) . . . . ?
B04K B04A B04L B04E 138.5(8) . . . . ?
B04K B04A B04L B04I 100.5(9) . . . . ?
B04K B04A B04L B04N 36.9(8) . . . . ?
B04K B04B B04F C02Z -59.8(10) . . . . ?
B04K B04B B04F B049 -101.7(8) . . . . ?
B04K B04B B04F B04I 2.4(10) . . . . ?
B04K B04B B04F B04N 39.1(7) . . . . ?
B04K B04B B04N B04F -136.2(7) . . . . ?
B04K B04B B04N B04I -99.1(8) . . . . ?
B04K B04B B04N B04L -36.7(8) . . . . ?
B04K B04L B04N B04B 36.4(8) . . . . ?
B04K B04L B04N B04F 99.8(10) . . . . ?
B04K B04L B04N B04I 137.5(9) . . . . ?
B04L B04A B04E C028 135.3(8) . . . . ?
B04L B04A B04E C02Z 99.3(8) . . . . ?
B04L B04A B04E B04I 37.1(8) . . . . ?
B04L B04A B04K B046 -140.7(8) . . . . ?
B04L B04A B04K B04B -102.1(10) . . . . ?
B04L B04A B04K B04N -37.3(9) . . . . ?
B04L B04E B04I C02Z 134.5(9) . . . . ?
B04L B04E B04I B04F 102.9(10) . . . . ?
B04L B04E B04I B04N 38.0(9) . . . . ?
B04L B04I B04N B04B 99.3(10) . . . . ?
B04L B04I B04N B04F 136.9(9) . . . . ?
B04L B04I B04N B04K 37.4(8) . . . . ?
B04L B04K B04N B04B -138.4(8) . . . . ?
B04L B04K B04N B04F -99.5(8) . . . . ?
B04L B04K B04N B04I -37.3(8) . . . . ?
C04M C039 C03I Ir06 120.7(8) . . . . ?
C04M C039 C03I C037 -175.3(8) . . . . ?
C04M C039 C03I C042 -0.9(13) . . . . ?
C04M C039 C03Y Ir06 -121.1(9) . . . . ?
C04M C039 C03Y C03Q 177.1(8) . . . . ?
C04M C039 C03Y C04H -1.7(15) . . . . ?
B04N B04B B04F C02Z -98.9(8) . . . . ?
B04N B04B B04F B049 -140.7(8) . . . . ?
B04N B04B B04F B04I -36.6(7) . . . . ?
B04N B04B B04K B046 140.5(8) . . . . ?
B04N B04B B04K B04A 102.6(10) . . . . ?
B04N B04B B04K B04L 37.5(8) . . . . ?
B04N B04F B04I C02Z -133.7(8) . . . . ?
B04N B04F B04I B04E -102.0(9) . . . . ?
B04N B04F B04I B04L -39.0(8) . . . . ?
B04N B04I B04L B04A -100.7(10) . . . . ?
B04N B04I B04L B04E -137.8(10) . . . . ?
B04N B04I B04L B04K -38.1(8) . . . . ?
B04N B04K B04L B04A 138.9(8) . . . . ?
B04N B04K B04L B04E 102.5(9) . . . . ?
B04N B04K B04L B04I 38.0(7) . . . . ?
C04O C03Q C03Y Ir06 121.1(10) . . . . ?
C04O C03Q C03Y C039 -177.3(9) . . . . ?
C04O C03Q C03Y C04H 1.6(15) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.175 0.000 0.000 1708.6 592.7 '8 C4H8Cl2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
